USER MOD reduce.3.24.130724 H: found=0, std=0, add=1056, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1054 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 Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -140:sc= 0 (180deg=-0.0211) USER MOD Single : A 2 CYS SG : rot 180:sc= 0.467 USER MOD Single : A 3 MET CE :methyl -117:sc= 0 (180deg=-0.253) USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 1.31 (180deg=1.31) USER MOD Single : A 9 THR OG1 : rot 170:sc= 0.679 USER MOD Single : A -3 GLY N :NH3+ -136:sc= 0.0285 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -150:sc= 1.06 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc=-0.00165 X(o=-0.0016,f=-0.0016) 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= 0.789 K(o=0.79,f=-0.28) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 0 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -174:sc= 0 (180deg=-0.0628) USER MOD Single : B 2 CYS SG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 154:sc= 0 (180deg=-0.0397) USER MOD Single : B 5 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.19) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B -3 GLY N :NH3+ -127:sc= 0.0805 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 167:sc= 1.15 (180deg=0.999) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 55 SER OG : rot -27:sc= 0.1 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 64 GLN : amide:sc= 1.84 K(o=1.8,f=-4.9!) USER MOD Single : B 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 4.591 -2.798 -5.123 1.00 0.00 N ATOM 2 CA GLY A -3 5.824 -2.956 -5.932 1.00 0.00 C ATOM 3 C GLY A -3 6.808 -1.817 -5.670 1.00 0.00 C ATOM 4 O GLY A -3 6.912 -1.367 -4.524 1.00 0.00 O ATOM 0 H1 GLY A -3 4.327 -3.715 -4.710 1.00 0.00 H new ATOM 0 H2 GLY A -3 4.761 -2.111 -4.361 1.00 0.00 H new ATOM 0 H3 GLY A -3 3.819 -2.457 -5.730 1.00 0.00 H new ATOM 0 HA2 GLY A -3 6.297 -3.910 -5.696 1.00 0.00 H new ATOM 0 HA3 GLY A -3 5.566 -2.981 -6.991 1.00 0.00 H new ATOM 10 N PRO A -2 7.551 -1.344 -6.691 1.00 0.00 N ATOM 11 CA PRO A -2 8.513 -0.240 -6.560 1.00 0.00 C ATOM 12 C PRO A -2 7.823 1.118 -6.310 1.00 0.00 C ATOM 13 O PRO A -2 6.627 1.296 -6.564 1.00 0.00 O ATOM 14 CB PRO A -2 9.317 -0.244 -7.871 1.00 0.00 C ATOM 15 CG PRO A -2 8.325 -0.810 -8.886 1.00 0.00 C ATOM 16 CD PRO A -2 7.529 -1.824 -8.067 1.00 0.00 C ATOM 0 HA PRO A -2 9.157 -0.381 -5.692 1.00 0.00 H new ATOM 0 HB2 PRO A -2 9.646 0.758 -8.145 1.00 0.00 H new ATOM 0 HB3 PRO A -2 10.211 -0.863 -7.793 1.00 0.00 H new ATOM 0 HG2 PRO A -2 7.682 -0.032 -9.298 1.00 0.00 H new ATOM 0 HG3 PRO A -2 8.834 -1.282 -9.727 1.00 0.00 H new ATOM 0 HD2 PRO A -2 6.506 -1.904 -8.435 1.00 0.00 H new ATOM 0 HD3 PRO A -2 7.973 -2.817 -8.140 1.00 0.00 H new ATOM 24 N GLY A -1 8.595 2.092 -5.825 1.00 0.00 N ATOM 25 CA GLY A -1 8.142 3.452 -5.502 1.00 0.00 C ATOM 26 C GLY A -1 9.291 4.393 -5.120 1.00 0.00 C ATOM 27 O GLY A -1 10.460 3.998 -5.107 1.00 0.00 O ATOM 0 H GLY A -1 9.588 1.954 -5.639 1.00 0.00 H new ATOM 0 HA2 GLY A -1 7.612 3.865 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A -1 7.429 3.405 -4.679 1.00 0.00 H new ATOM 31 N SER A 0 8.965 5.650 -4.809 1.00 0.00 N ATOM 32 CA SER A 0 9.928 6.698 -4.438 1.00 0.00 C ATOM 33 C SER A 0 10.724 6.342 -3.172 1.00 0.00 C ATOM 34 O SER A 0 10.155 6.009 -2.130 1.00 0.00 O ATOM 35 CB SER A 0 9.214 8.042 -4.228 1.00 0.00 C ATOM 36 OG SER A 0 8.465 8.418 -5.378 1.00 0.00 O ATOM 0 H SER A 0 7.999 5.979 -4.807 1.00 0.00 H new ATOM 0 HA SER A 0 10.632 6.779 -5.266 1.00 0.00 H new ATOM 0 HB2 SER A 0 8.550 7.972 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 0 9.949 8.815 -4.002 1.00 0.00 H new ATOM 0 HG SER A 0 8.021 9.276 -5.213 1.00 0.00 H new ATOM 42 N MET A 1 12.056 6.426 -3.265 1.00 0.00 N ATOM 43 CA MET A 1 12.993 6.108 -2.178 1.00 0.00 C ATOM 44 C MET A 1 13.261 7.301 -1.244 1.00 0.00 C ATOM 45 O MET A 1 13.246 8.455 -1.679 1.00 0.00 O ATOM 46 CB MET A 1 14.323 5.585 -2.763 1.00 0.00 C ATOM 47 CG MET A 1 14.543 4.101 -2.441 1.00 0.00 C ATOM 48 SD MET A 1 14.763 3.705 -0.679 1.00 0.00 S ATOM 49 CE MET A 1 16.410 4.406 -0.364 1.00 0.00 C ATOM 0 H MET A 1 12.526 6.725 -4.120 1.00 0.00 H new ATOM 0 HA MET A 1 12.521 5.334 -1.572 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.325 5.727 -3.844 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.151 6.170 -2.363 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.691 3.535 -2.819 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.422 3.756 -2.985 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.973 3.735 0.285 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.941 4.527 -1.308 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.306 5.377 0.121 1.00 0.00 H new ATOM 59 N CYS A 2 13.598 6.993 0.013 1.00 0.00 N ATOM 60 CA CYS A 2 14.009 7.935 1.059 1.00 0.00 C ATOM 61 C CYS A 2 12.946 9.014 1.402 1.00 0.00 C ATOM 62 O CYS A 2 11.810 8.987 0.913 1.00 0.00 O ATOM 63 CB CYS A 2 15.397 8.484 0.677 1.00 0.00 C ATOM 64 SG CYS A 2 16.315 9.123 2.108 1.00 0.00 S ATOM 0 H CYS A 2 13.591 6.029 0.345 1.00 0.00 H new ATOM 0 HA CYS A 2 14.091 7.410 2.011 1.00 0.00 H new ATOM 0 HB2 CYS A 2 15.978 7.694 0.201 1.00 0.00 H new ATOM 0 HB3 CYS A 2 15.279 9.280 -0.059 1.00 0.00 H new ATOM 0 HG CYS A 2 17.473 9.567 1.718 1.00 0.00 H new ATOM 70 N MET A 3 13.325 9.971 2.258 1.00 0.00 N ATOM 71 CA MET A 3 12.538 11.121 2.729 1.00 0.00 C ATOM 72 C MET A 3 11.257 10.763 3.508 1.00 0.00 C ATOM 73 O MET A 3 10.932 9.598 3.758 1.00 0.00 O ATOM 74 CB MET A 3 12.273 12.095 1.561 1.00 0.00 C ATOM 75 CG MET A 3 13.562 12.650 0.940 1.00 0.00 C ATOM 76 SD MET A 3 13.324 13.378 -0.697 1.00 0.00 S ATOM 77 CE MET A 3 13.233 11.839 -1.653 1.00 0.00 C ATOM 0 H MET A 3 14.258 9.963 2.671 1.00 0.00 H new ATOM 0 HA MET A 3 13.151 11.623 3.478 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.697 11.582 0.791 1.00 0.00 H new ATOM 0 HB3 MET A 3 11.662 12.924 1.918 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.980 13.404 1.606 1.00 0.00 H new ATOM 0 HG3 MET A 3 14.295 11.847 0.868 1.00 0.00 H new ATOM 0 HE1 MET A 3 14.063 11.799 -2.358 1.00 0.00 H new ATOM 0 HE2 MET A 3 13.290 10.986 -0.976 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.291 11.805 -2.200 1.00 0.00 H new ATOM 87 N ALA A 4 10.546 11.805 3.934 1.00 0.00 N ATOM 88 CA ALA A 4 9.292 11.766 4.686 1.00 0.00 C ATOM 89 C ALA A 4 8.290 12.796 4.118 1.00 0.00 C ATOM 90 O ALA A 4 8.655 13.635 3.286 1.00 0.00 O ATOM 91 CB ALA A 4 9.627 12.040 6.164 1.00 0.00 C ATOM 0 H ALA A 4 10.850 12.762 3.752 1.00 0.00 H new ATOM 0 HA ALA A 4 8.814 10.790 4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.711 12.018 6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.313 11.276 6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.094 13.020 6.255 1.00 0.00 H new ATOM 97 N LYS A 5 7.044 12.765 4.601 1.00 0.00 N ATOM 98 CA LYS A 5 6.075 13.863 4.440 1.00 0.00 C ATOM 99 C LYS A 5 5.883 14.647 5.742 1.00 0.00 C ATOM 100 O LYS A 5 5.863 14.063 6.825 1.00 0.00 O ATOM 101 CB LYS A 5 4.744 13.368 3.843 1.00 0.00 C ATOM 102 CG LYS A 5 3.940 12.405 4.736 1.00 0.00 C ATOM 103 CD LYS A 5 2.567 12.120 4.113 1.00 0.00 C ATOM 104 CE LYS A 5 1.738 11.189 5.006 1.00 0.00 C ATOM 105 NZ LYS A 5 0.362 11.034 4.482 1.00 0.00 N1+ ATOM 0 H LYS A 5 6.672 11.970 5.121 1.00 0.00 H new ATOM 0 HA LYS A 5 6.494 14.564 3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.121 14.234 3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.952 12.870 2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.490 11.472 4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.814 12.838 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.031 13.057 3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.697 11.666 3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.220 10.213 5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.702 11.589 6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.156 10.347 5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.126 11.952 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.401 10.694 3.500 1.00 0.00 H new ATOM 119 N VAL A 6 5.698 15.960 5.626 1.00 0.00 N ATOM 120 CA VAL A 6 5.314 16.864 6.732 1.00 0.00 C ATOM 121 C VAL A 6 3.806 17.130 6.660 1.00 0.00 C ATOM 122 O VAL A 6 3.280 17.356 5.569 1.00 0.00 O ATOM 123 CB VAL A 6 6.139 18.164 6.715 1.00 0.00 C ATOM 124 CG1 VAL A 6 5.734 19.134 7.827 1.00 0.00 C ATOM 125 CG2 VAL A 6 7.632 17.879 6.894 1.00 0.00 C ATOM 0 H VAL A 6 5.812 16.449 4.738 1.00 0.00 H new ATOM 0 HA VAL A 6 5.537 16.383 7.685 1.00 0.00 H new ATOM 0 HB VAL A 6 5.940 18.615 5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.348 20.033 7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.684 19.403 7.710 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.881 18.658 8.796 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.186 18.817 6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.795 17.378 7.848 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.980 17.238 6.084 1.00 0.00 H new ATOM 135 N VAL A 7 3.112 17.121 7.798 1.00 0.00 N ATOM 136 CA VAL A 7 1.659 17.370 7.909 1.00 0.00 C ATOM 137 C VAL A 7 1.326 18.366 9.024 1.00 0.00 C ATOM 138 O VAL A 7 1.949 18.351 10.089 1.00 0.00 O ATOM 139 CB VAL A 7 0.870 16.046 8.028 1.00 0.00 C ATOM 140 CG1 VAL A 7 1.246 15.216 9.265 1.00 0.00 C ATOM 141 CG2 VAL A 7 -0.649 16.265 8.053 1.00 0.00 C ATOM 0 H VAL A 7 3.551 16.936 8.700 1.00 0.00 H new ATOM 0 HA VAL A 7 1.335 17.845 6.983 1.00 0.00 H new ATOM 0 HB VAL A 7 1.152 15.494 7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.653 14.301 9.283 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.305 14.961 9.224 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.047 15.796 10.166 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.154 15.303 8.138 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.913 16.889 8.907 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.961 16.759 7.132 1.00 0.00 H new ATOM 151 N LEU A 8 0.344 19.238 8.779 1.00 0.00 N ATOM 152 CA LEU A 8 -0.078 20.320 9.680 1.00 0.00 C ATOM 153 C LEU A 8 -1.583 20.617 9.573 1.00 0.00 C ATOM 154 O LEU A 8 -2.212 20.341 8.546 1.00 0.00 O ATOM 155 CB LEU A 8 0.794 21.562 9.410 1.00 0.00 C ATOM 156 CG LEU A 8 0.587 22.238 8.034 1.00 0.00 C ATOM 157 CD1 LEU A 8 -0.424 23.389 8.092 1.00 0.00 C ATOM 158 CD2 LEU A 8 1.912 22.818 7.525 1.00 0.00 C ATOM 0 H LEU A 8 -0.200 19.211 7.917 1.00 0.00 H new ATOM 0 HA LEU A 8 0.073 20.004 10.712 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.598 22.298 10.190 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.842 21.275 9.500 1.00 0.00 H new ATOM 0 HG LEU A 8 0.208 21.463 7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.532 23.829 7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.389 23.009 8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.071 24.149 8.789 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.754 23.291 6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.281 23.559 8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.644 22.017 7.422 1.00 0.00 H new ATOM 170 N THR A 9 -2.144 21.212 10.632 1.00 0.00 N ATOM 171 CA THR A 9 -3.557 21.629 10.711 1.00 0.00 C ATOM 172 C THR A 9 -3.685 23.157 10.733 1.00 0.00 C ATOM 173 O THR A 9 -2.991 23.833 11.489 1.00 0.00 O ATOM 174 CB THR A 9 -4.261 21.021 11.942 1.00 0.00 C ATOM 175 OG1 THR A 9 -4.002 19.635 12.052 1.00 0.00 O ATOM 176 CG2 THR A 9 -5.782 21.161 11.873 1.00 0.00 C ATOM 0 H THR A 9 -1.619 21.424 11.480 1.00 0.00 H new ATOM 0 HA THR A 9 -4.050 21.252 9.815 1.00 0.00 H new ATOM 0 HB THR A 9 -3.865 21.572 12.795 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.322 19.310 12.919 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.229 20.717 12.763 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.048 22.217 11.821 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.155 20.649 10.986 1.00 0.00 H new ATOM 184 N LYS A 10 -4.576 23.703 9.901 1.00 0.00 N ATOM 185 CA LYS A 10 -4.866 25.141 9.775 1.00 0.00 C ATOM 186 C LYS A 10 -5.857 25.628 10.838 1.00 0.00 C ATOM 187 O LYS A 10 -6.650 24.848 11.367 1.00 0.00 O ATOM 188 CB LYS A 10 -5.422 25.436 8.365 1.00 0.00 C ATOM 189 CG LYS A 10 -4.433 25.065 7.242 1.00 0.00 C ATOM 190 CD LYS A 10 -4.870 25.615 5.877 1.00 0.00 C ATOM 191 CE LYS A 10 -6.193 25.000 5.389 1.00 0.00 C ATOM 192 NZ LYS A 10 -6.622 25.604 4.105 1.00 0.00 N1+ ATOM 0 H LYS A 10 -5.140 23.135 9.269 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.932 25.681 9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.350 24.883 8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.668 26.495 8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.445 25.453 7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.344 23.980 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.979 26.697 5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.089 25.418 5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.073 23.924 5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.967 25.151 6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.517 25.171 3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.758 26.627 4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.893 25.438 3.383 1.00 0.00 H new ATOM 206 N ALA A 11 -5.896 26.943 11.070 1.00 0.00 N ATOM 207 CA ALA A 11 -6.914 27.592 11.911 1.00 0.00 C ATOM 208 C ALA A 11 -8.357 27.463 11.355 1.00 0.00 C ATOM 209 O ALA A 11 -9.332 27.551 12.107 1.00 0.00 O ATOM 210 CB ALA A 11 -6.514 29.064 12.073 1.00 0.00 C ATOM 0 H ALA A 11 -5.217 27.596 10.677 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.941 27.083 12.875 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.250 29.575 12.693 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.535 29.125 12.548 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.472 29.540 11.093 1.00 0.00 H new ATOM 216 N ASP A 12 -8.497 27.199 10.053 1.00 0.00 N ATOM 217 CA ASP A 12 -9.761 26.872 9.370 1.00 0.00 C ATOM 218 C ASP A 12 -10.300 25.456 9.694 1.00 0.00 C ATOM 219 O ASP A 12 -11.409 25.107 9.284 1.00 0.00 O ATOM 220 CB ASP A 12 -9.568 27.007 7.846 1.00 0.00 C ATOM 221 CG ASP A 12 -9.133 28.394 7.344 1.00 0.00 C ATOM 222 OD1 ASP A 12 -9.406 29.424 8.007 1.00 0.00 O ATOM 223 OD2 ASP A 12 -8.526 28.453 6.244 1.00 0.00 O1- ATOM 0 H ASP A 12 -7.701 27.207 9.415 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.504 27.579 9.739 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.824 26.277 7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.505 26.742 7.356 1.00 0.00 H new ATOM 228 N GLY A 13 -9.531 24.621 10.402 1.00 0.00 N ATOM 229 CA GLY A 13 -9.856 23.221 10.726 1.00 0.00 C ATOM 230 C GLY A 13 -9.471 22.200 9.642 1.00 0.00 C ATOM 231 O GLY A 13 -9.534 20.994 9.894 1.00 0.00 O ATOM 0 H GLY A 13 -8.629 24.910 10.781 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.352 22.952 11.654 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.927 23.145 10.912 1.00 0.00 H new ATOM 235 N GLY A 14 -9.045 22.656 8.457 1.00 0.00 N ATOM 236 CA GLY A 14 -8.483 21.818 7.384 1.00 0.00 C ATOM 237 C GLY A 14 -7.021 21.424 7.626 1.00 0.00 C ATOM 238 O GLY A 14 -6.366 21.954 8.525 1.00 0.00 O ATOM 0 H GLY A 14 -9.082 23.645 8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.084 20.914 7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.556 22.354 6.438 1.00 0.00 H new ATOM 242 N ARG A 15 -6.495 20.509 6.808 1.00 0.00 N ATOM 243 CA ARG A 15 -5.107 20.002 6.885 1.00 0.00 C ATOM 244 C ARG A 15 -4.348 20.140 5.564 1.00 0.00 C ATOM 245 O ARG A 15 -4.948 20.147 4.486 1.00 0.00 O ATOM 246 CB ARG A 15 -5.090 18.553 7.411 1.00 0.00 C ATOM 247 CG ARG A 15 -5.328 18.521 8.924 1.00 0.00 C ATOM 248 CD ARG A 15 -5.247 17.112 9.511 1.00 0.00 C ATOM 249 NE ARG A 15 -5.155 17.195 10.979 1.00 0.00 N ATOM 250 CZ ARG A 15 -5.304 16.231 11.861 1.00 0.00 C ATOM 251 NH1 ARG A 15 -5.601 15.009 11.519 1.00 0.00 N1+ ATOM 252 NH2 ARG A 15 -5.154 16.493 13.127 1.00 0.00 N ATOM 0 H ARG A 15 -7.030 20.084 6.051 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.573 20.631 7.597 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.858 17.969 6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.132 18.088 7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.591 19.157 9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.309 18.943 9.141 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.126 16.536 9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.378 16.589 9.111 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.949 18.119 11.360 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.727 14.771 10.535 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.708 14.291 12.235 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.923 17.440 13.428 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.268 15.752 13.818 1.00 0.00 H new ATOM 266 N VAL A 16 -3.024 20.252 5.672 1.00 0.00 N ATOM 267 CA VAL A 16 -2.066 20.431 4.566 1.00 0.00 C ATOM 268 C VAL A 16 -0.904 19.444 4.717 1.00 0.00 C ATOM 269 O VAL A 16 -0.429 19.196 5.828 1.00 0.00 O ATOM 270 CB VAL A 16 -1.559 21.892 4.489 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.525 22.113 3.380 1.00 0.00 C ATOM 272 CG2 VAL A 16 -2.717 22.874 4.238 1.00 0.00 C ATOM 0 H VAL A 16 -2.560 20.219 6.580 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.578 20.222 3.627 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.091 22.078 5.456 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.210 23.156 3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.340 21.473 3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.968 21.867 2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.328 23.891 4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.206 22.627 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.439 22.801 5.051 1.00 0.00 H new ATOM 282 N GLU A 17 -0.436 18.888 3.596 1.00 0.00 N ATOM 283 CA GLU A 17 0.681 17.938 3.526 1.00 0.00 C ATOM 284 C GLU A 17 1.744 18.386 2.506 1.00 0.00 C ATOM 285 O GLU A 17 1.413 18.896 1.430 1.00 0.00 O ATOM 286 CB GLU A 17 0.171 16.528 3.168 1.00 0.00 C ATOM 287 CG GLU A 17 -0.712 15.908 4.256 1.00 0.00 C ATOM 288 CD GLU A 17 -1.204 14.510 3.846 1.00 0.00 C ATOM 289 OE1 GLU A 17 -1.923 14.383 2.825 1.00 0.00 O ATOM 290 OE2 GLU A 17 -0.885 13.518 4.546 1.00 0.00 O1- ATOM 0 H GLU A 17 -0.837 19.093 2.681 1.00 0.00 H new ATOM 0 HA GLU A 17 1.148 17.911 4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.394 16.579 2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.025 15.875 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.151 15.840 5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.568 16.556 4.446 1.00 0.00 H new ATOM 297 N ILE A 18 3.020 18.151 2.824 1.00 0.00 N ATOM 298 CA ILE A 18 4.189 18.435 1.980 1.00 0.00 C ATOM 299 C ILE A 18 5.042 17.167 1.908 1.00 0.00 C ATOM 300 O ILE A 18 5.744 16.821 2.860 1.00 0.00 O ATOM 301 CB ILE A 18 4.985 19.658 2.504 1.00 0.00 C ATOM 302 CG1 ILE A 18 4.121 20.943 2.591 1.00 0.00 C ATOM 303 CG2 ILE A 18 6.186 19.943 1.580 1.00 0.00 C ATOM 304 CD1 ILE A 18 3.506 21.182 3.975 1.00 0.00 C ATOM 0 H ILE A 18 3.281 17.738 3.719 1.00 0.00 H new ATOM 0 HA ILE A 18 3.869 18.706 0.974 1.00 0.00 H new ATOM 0 HB ILE A 18 5.318 19.402 3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.736 21.802 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.321 20.882 1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.739 20.804 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.842 19.073 1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.828 20.154 0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.916 22.098 3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.863 20.342 4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.301 21.276 4.715 1.00 0.00 H new ATOM 316 N GLY A 19 4.953 16.450 0.788 1.00 0.00 N ATOM 317 CA GLY A 19 5.708 15.215 0.535 1.00 0.00 C ATOM 318 C GLY A 19 7.158 15.443 0.091 1.00 0.00 C ATOM 319 O GLY A 19 7.507 16.515 -0.407 1.00 0.00 O ATOM 0 H GLY A 19 4.343 16.713 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.709 14.611 1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.192 14.638 -0.232 1.00 0.00 H new ATOM 323 N ASP A 20 7.992 14.414 0.240 1.00 0.00 N ATOM 324 CA ASP A 20 9.389 14.373 -0.218 1.00 0.00 C ATOM 325 C ASP A 20 10.232 15.570 0.269 1.00 0.00 C ATOM 326 O ASP A 20 10.932 16.220 -0.517 1.00 0.00 O ATOM 327 CB ASP A 20 9.477 14.124 -1.739 1.00 0.00 C ATOM 328 CG ASP A 20 8.620 12.954 -2.248 1.00 0.00 C ATOM 329 OD1 ASP A 20 8.452 11.934 -1.530 1.00 0.00 O ATOM 330 OD2 ASP A 20 8.129 13.024 -3.400 1.00 0.00 O1- ATOM 0 H ASP A 20 7.706 13.550 0.701 1.00 0.00 H new ATOM 0 HA ASP A 20 9.854 13.512 0.262 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.174 15.032 -2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.518 13.936 -2.003 1.00 0.00 H new ATOM 335 N VAL A 21 10.159 15.905 1.567 1.00 0.00 N ATOM 336 CA VAL A 21 11.037 16.925 2.157 1.00 0.00 C ATOM 337 C VAL A 21 12.475 16.410 2.253 1.00 0.00 C ATOM 338 O VAL A 21 12.732 15.322 2.764 1.00 0.00 O ATOM 339 CB VAL A 21 10.553 17.439 3.525 1.00 0.00 C ATOM 340 CG1 VAL A 21 9.318 18.332 3.340 1.00 0.00 C ATOM 341 CG2 VAL A 21 10.233 16.364 4.571 1.00 0.00 C ATOM 0 H VAL A 21 9.503 15.485 2.225 1.00 0.00 H new ATOM 0 HA VAL A 21 11.003 17.780 1.482 1.00 0.00 H new ATOM 0 HB VAL A 21 11.404 17.991 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.981 18.692 4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.575 19.182 2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.520 17.757 2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.902 16.841 5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.443 15.714 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.126 15.772 4.769 1.00 0.00 H new ATOM 351 N LEU A 22 13.425 17.221 1.792 1.00 0.00 N ATOM 352 CA LEU A 22 14.857 17.033 2.032 1.00 0.00 C ATOM 353 C LEU A 22 15.247 17.470 3.456 1.00 0.00 C ATOM 354 O LEU A 22 16.148 16.893 4.067 1.00 0.00 O ATOM 355 CB LEU A 22 15.654 17.856 1.001 1.00 0.00 C ATOM 356 CG LEU A 22 15.490 17.400 -0.462 1.00 0.00 C ATOM 357 CD1 LEU A 22 16.235 18.371 -1.375 1.00 0.00 C ATOM 358 CD2 LEU A 22 16.058 16.001 -0.715 1.00 0.00 C ATOM 0 H LEU A 22 13.218 18.046 1.229 1.00 0.00 H new ATOM 0 HA LEU A 22 15.090 15.973 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.349 18.900 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 22 16.711 17.813 1.263 1.00 0.00 H new ATOM 0 HG LEU A 22 14.420 17.380 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.123 18.054 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.822 19.373 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.292 18.380 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.914 15.734 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 22 17.123 15.993 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.542 15.279 -0.082 1.00 0.00 H new ATOM 370 N GLU A 23 14.553 18.480 3.992 1.00 0.00 N ATOM 371 CA GLU A 23 14.786 19.053 5.319 1.00 0.00 C ATOM 372 C GLU A 23 13.543 19.781 5.861 1.00 0.00 C ATOM 373 O GLU A 23 12.773 20.379 5.105 1.00 0.00 O ATOM 374 CB GLU A 23 15.991 20.017 5.234 1.00 0.00 C ATOM 375 CG GLU A 23 16.462 20.553 6.594 1.00 0.00 C ATOM 376 CD GLU A 23 17.651 21.526 6.488 1.00 0.00 C ATOM 377 OE1 GLU A 23 18.222 21.873 7.543 1.00 0.00 O ATOM 378 OE2 GLU A 23 17.989 22.004 5.377 1.00 0.00 O1- ATOM 0 H GLU A 23 13.787 18.936 3.495 1.00 0.00 H new ATOM 0 HA GLU A 23 15.001 18.244 6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.821 19.502 4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.724 20.860 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.631 21.059 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.744 19.714 7.229 1.00 0.00 H new ATOM 385 N VAL A 24 13.394 19.784 7.192 1.00 0.00 N ATOM 386 CA VAL A 24 12.412 20.568 7.963 1.00 0.00 C ATOM 387 C VAL A 24 13.059 21.147 9.226 1.00 0.00 C ATOM 388 O VAL A 24 13.847 20.467 9.879 1.00 0.00 O ATOM 389 CB VAL A 24 11.153 19.731 8.270 1.00 0.00 C ATOM 390 CG1 VAL A 24 11.445 18.409 8.984 1.00 0.00 C ATOM 391 CG2 VAL A 24 10.109 20.492 9.101 1.00 0.00 C ATOM 0 H VAL A 24 13.985 19.211 7.794 1.00 0.00 H new ATOM 0 HA VAL A 24 12.082 21.412 7.357 1.00 0.00 H new ATOM 0 HB VAL A 24 10.752 19.517 7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.510 17.879 9.165 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.096 17.795 8.361 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.938 18.610 9.935 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.249 19.848 9.282 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.548 20.788 10.054 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.789 21.381 8.557 1.00 0.00 H new ATOM 401 N ARG A 25 12.750 22.408 9.563 1.00 0.00 N ATOM 402 CA ARG A 25 13.318 23.138 10.719 1.00 0.00 C ATOM 403 C ARG A 25 12.243 23.928 11.465 1.00 0.00 C ATOM 404 O ARG A 25 11.405 24.570 10.831 1.00 0.00 O ATOM 405 CB ARG A 25 14.471 24.097 10.325 1.00 0.00 C ATOM 406 CG ARG A 25 15.331 23.753 9.099 1.00 0.00 C ATOM 407 CD ARG A 25 14.716 24.284 7.794 1.00 0.00 C ATOM 408 NE ARG A 25 15.552 23.962 6.623 1.00 0.00 N ATOM 409 CZ ARG A 25 15.167 24.019 5.365 1.00 0.00 C ATOM 410 NH1 ARG A 25 13.984 24.431 5.013 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 15.961 23.655 4.405 1.00 0.00 N ATOM 0 H ARG A 25 12.083 22.966 9.030 1.00 0.00 H new ATOM 0 HA ARG A 25 13.729 22.369 11.373 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.038 25.083 10.159 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.138 24.182 11.183 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.328 24.174 9.227 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.448 22.671 9.030 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.723 23.856 7.660 1.00 0.00 H new ATOM 0 HD3 ARG A 25 14.591 25.364 7.865 1.00 0.00 H new ATOM 0 HE ARG A 25 16.512 23.670 6.803 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.314 24.726 5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.726 24.459 4.026 1.00 0.00 H new ATOM 0 HH21 ARG A 25 16.900 23.318 4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.646 23.706 3.436 1.00 0.00 H new ATOM 425 N ALA A 26 12.284 23.917 12.794 1.00 0.00 N ATOM 426 CA ALA A 26 11.511 24.799 13.671 1.00 0.00 C ATOM 427 C ALA A 26 12.409 25.928 14.230 1.00 0.00 C ATOM 428 O ALA A 26 13.399 25.662 14.912 1.00 0.00 O ATOM 429 CB ALA A 26 10.876 23.957 14.787 1.00 0.00 C ATOM 0 H ALA A 26 12.878 23.270 13.312 1.00 0.00 H new ATOM 0 HA ALA A 26 10.712 25.283 13.109 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.298 24.604 15.447 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.219 23.206 14.347 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.660 23.462 15.360 1.00 0.00 H new ATOM 435 N GLU A 27 12.080 27.188 13.930 1.00 0.00 N ATOM 436 CA GLU A 27 12.837 28.379 14.354 1.00 0.00 C ATOM 437 C GLU A 27 11.973 29.652 14.332 1.00 0.00 C ATOM 438 O GLU A 27 11.030 29.765 13.549 1.00 0.00 O ATOM 439 CB GLU A 27 14.109 28.558 13.499 1.00 0.00 C ATOM 440 CG GLU A 27 13.871 28.943 12.027 1.00 0.00 C ATOM 441 CD GLU A 27 13.764 30.457 11.737 1.00 0.00 C ATOM 442 OE1 GLU A 27 13.211 30.822 10.669 1.00 0.00 O ATOM 443 OE2 GLU A 27 14.267 31.295 12.525 1.00 0.00 O1- ATOM 0 H GLU A 27 11.259 27.418 13.371 1.00 0.00 H new ATOM 0 HA GLU A 27 13.140 28.216 15.388 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.731 29.325 13.961 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.677 27.628 13.526 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.685 28.534 11.428 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.953 28.462 11.689 1.00 0.00 H new ATOM 450 N GLY A 28 12.295 30.627 15.187 1.00 0.00 N ATOM 451 CA GLY A 28 11.636 31.943 15.235 1.00 0.00 C ATOM 452 C GLY A 28 10.125 31.918 15.531 1.00 0.00 C ATOM 453 O GLY A 28 9.412 32.849 15.150 1.00 0.00 O ATOM 0 H GLY A 28 13.036 30.525 15.881 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.128 32.548 15.997 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.793 32.443 14.280 1.00 0.00 H new ATOM 457 N GLY A 29 9.613 30.845 16.152 1.00 0.00 N ATOM 458 CA GLY A 29 8.177 30.617 16.358 1.00 0.00 C ATOM 459 C GLY A 29 7.427 30.161 15.095 1.00 0.00 C ATOM 460 O GLY A 29 6.223 30.410 14.979 1.00 0.00 O ATOM 0 H GLY A 29 10.196 30.099 16.531 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.047 29.865 17.136 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.723 31.537 16.725 1.00 0.00 H new ATOM 464 N ALA A 30 8.117 29.541 14.139 1.00 0.00 N ATOM 465 CA ALA A 30 7.589 29.038 12.871 1.00 0.00 C ATOM 466 C ALA A 30 8.272 27.718 12.459 1.00 0.00 C ATOM 467 O ALA A 30 9.334 27.362 12.979 1.00 0.00 O ATOM 468 CB ALA A 30 7.799 30.127 11.806 1.00 0.00 C ATOM 0 H ALA A 30 9.117 29.366 14.234 1.00 0.00 H new ATOM 0 HA ALA A 30 6.527 28.816 12.976 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.414 29.778 10.848 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.269 31.032 12.102 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.863 30.343 11.712 1.00 0.00 H new ATOM 474 N VAL A 31 7.703 27.022 11.469 1.00 0.00 N ATOM 475 CA VAL A 31 8.350 25.887 10.773 1.00 0.00 C ATOM 476 C VAL A 31 8.626 26.220 9.305 1.00 0.00 C ATOM 477 O VAL A 31 7.832 26.903 8.659 1.00 0.00 O ATOM 478 CB VAL A 31 7.548 24.578 10.929 1.00 0.00 C ATOM 479 CG1 VAL A 31 8.089 23.422 10.073 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.603 24.110 12.381 1.00 0.00 C ATOM 0 H VAL A 31 6.768 27.228 11.118 1.00 0.00 H new ATOM 0 HA VAL A 31 9.313 25.718 11.254 1.00 0.00 H new ATOM 0 HB VAL A 31 6.535 24.813 10.602 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.477 22.534 10.233 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.055 23.702 9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.119 23.209 10.358 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.035 23.185 12.487 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.640 23.934 12.668 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.173 24.876 13.027 1.00 0.00 H new ATOM 490 N ARG A 32 9.753 25.730 8.773 1.00 0.00 N ATOM 491 CA ARG A 32 10.159 25.864 7.360 1.00 0.00 C ATOM 492 C ARG A 32 10.563 24.508 6.780 1.00 0.00 C ATOM 493 O ARG A 32 11.184 23.700 7.472 1.00 0.00 O ATOM 494 CB ARG A 32 11.289 26.907 7.219 1.00 0.00 C ATOM 495 CG ARG A 32 10.880 28.289 7.760 1.00 0.00 C ATOM 496 CD ARG A 32 11.973 29.351 7.597 1.00 0.00 C ATOM 497 NE ARG A 32 12.159 29.767 6.186 1.00 0.00 N ATOM 498 CZ ARG A 32 12.672 30.910 5.767 1.00 0.00 C ATOM 499 NH1 ARG A 32 13.069 31.839 6.597 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 12.794 31.144 4.496 1.00 0.00 N ATOM 0 H ARG A 32 10.433 25.211 9.329 1.00 0.00 H new ATOM 0 HA ARG A 32 9.306 26.222 6.784 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.172 26.557 7.754 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.567 26.998 6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.980 28.622 7.244 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.626 28.198 8.816 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.719 30.224 8.199 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.914 28.960 7.984 1.00 0.00 H new ATOM 0 HE ARG A 32 11.862 29.106 5.468 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.987 31.693 7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.461 32.710 6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.493 30.444 3.817 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.190 32.028 4.176 1.00 0.00 H new ATOM 514 N VAL A 33 10.250 24.276 5.505 1.00 0.00 N ATOM 515 CA VAL A 33 10.482 23.006 4.785 1.00 0.00 C ATOM 516 C VAL A 33 11.074 23.256 3.398 1.00 0.00 C ATOM 517 O VAL A 33 10.775 24.274 2.772 1.00 0.00 O ATOM 518 CB VAL A 33 9.186 22.178 4.644 1.00 0.00 C ATOM 519 CG1 VAL A 33 8.623 21.750 5.999 1.00 0.00 C ATOM 520 CG2 VAL A 33 8.072 22.902 3.881 1.00 0.00 C ATOM 0 H VAL A 33 9.813 24.986 4.918 1.00 0.00 H new ATOM 0 HA VAL A 33 11.194 22.437 5.383 1.00 0.00 H new ATOM 0 HB VAL A 33 9.493 21.305 4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.712 21.171 5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.359 21.139 6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.396 22.634 6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.194 22.259 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.813 23.823 4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.416 23.140 2.874 1.00 0.00 H new ATOM 530 N THR A 34 11.866 22.304 2.893 1.00 0.00 N ATOM 531 CA THR A 34 12.402 22.315 1.519 1.00 0.00 C ATOM 532 C THR A 34 12.240 20.930 0.878 1.00 0.00 C ATOM 533 O THR A 34 12.579 19.916 1.491 1.00 0.00 O ATOM 534 CB THR A 34 13.872 22.759 1.479 1.00 0.00 C ATOM 535 OG1 THR A 34 14.063 23.970 2.188 1.00 0.00 O ATOM 536 CG2 THR A 34 14.362 23.032 0.059 1.00 0.00 C ATOM 0 H THR A 34 12.160 21.490 3.432 1.00 0.00 H new ATOM 0 HA THR A 34 11.829 23.044 0.946 1.00 0.00 H new ATOM 0 HB THR A 34 14.427 21.934 1.926 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.805 24.470 1.788 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.406 23.342 0.088 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.269 22.125 -0.539 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.760 23.824 -0.388 1.00 0.00 H new ATOM 544 N THR A 35 11.700 20.868 -0.340 1.00 0.00 N ATOM 545 CA THR A 35 11.338 19.618 -1.031 1.00 0.00 C ATOM 546 C THR A 35 12.402 19.122 -2.021 1.00 0.00 C ATOM 547 O THR A 35 13.331 19.841 -2.401 1.00 0.00 O ATOM 548 CB THR A 35 9.978 19.741 -1.747 1.00 0.00 C ATOM 549 OG1 THR A 35 10.097 20.551 -2.893 1.00 0.00 O ATOM 550 CG2 THR A 35 8.869 20.306 -0.856 1.00 0.00 C ATOM 0 H THR A 35 11.495 21.702 -0.891 1.00 0.00 H new ATOM 0 HA THR A 35 11.268 18.871 -0.241 1.00 0.00 H new ATOM 0 HB THR A 35 9.694 18.725 -2.021 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.226 20.618 -3.338 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.941 20.365 -1.424 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.727 19.654 0.005 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.149 21.302 -0.514 1.00 0.00 H new ATOM 558 N LEU A 36 12.216 17.883 -2.486 1.00 0.00 N ATOM 559 CA LEU A 36 12.980 17.212 -3.538 1.00 0.00 C ATOM 560 C LEU A 36 13.146 18.048 -4.828 1.00 0.00 C ATOM 561 O LEU A 36 14.155 17.936 -5.527 1.00 0.00 O ATOM 562 CB LEU A 36 12.209 15.907 -3.829 1.00 0.00 C ATOM 563 CG LEU A 36 12.825 14.989 -4.900 1.00 0.00 C ATOM 564 CD1 LEU A 36 14.181 14.450 -4.446 1.00 0.00 C ATOM 565 CD2 LEU A 36 11.890 13.808 -5.150 1.00 0.00 C ATOM 0 H LEU A 36 11.479 17.285 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 36 14.001 17.040 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.123 15.343 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.197 16.167 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 36 12.963 15.571 -5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 36 14.594 13.804 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.862 15.282 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 36 14.056 13.878 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.323 13.155 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.755 13.249 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.924 14.176 -5.496 1.00 0.00 H new ATOM 577 N PHE A 37 12.164 18.895 -5.135 1.00 0.00 N ATOM 578 CA PHE A 37 12.111 19.752 -6.324 1.00 0.00 C ATOM 579 C PHE A 37 12.728 21.150 -6.108 1.00 0.00 C ATOM 580 O PHE A 37 12.572 22.038 -6.951 1.00 0.00 O ATOM 581 CB PHE A 37 10.657 19.808 -6.812 1.00 0.00 C ATOM 582 CG PHE A 37 10.034 18.435 -7.001 1.00 0.00 C ATOM 583 CD1 PHE A 37 10.397 17.654 -8.116 1.00 0.00 C ATOM 584 CD2 PHE A 37 9.138 17.916 -6.045 1.00 0.00 C ATOM 585 CE1 PHE A 37 9.877 16.353 -8.265 1.00 0.00 C ATOM 586 CE2 PHE A 37 8.622 16.618 -6.190 1.00 0.00 C ATOM 587 CZ PHE A 37 8.993 15.834 -7.302 1.00 0.00 C ATOM 0 H PHE A 37 11.346 19.009 -4.536 1.00 0.00 H new ATOM 0 HA PHE A 37 12.738 19.313 -7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 37 10.062 20.374 -6.095 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.619 20.350 -7.757 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.074 18.053 -8.857 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.847 18.519 -5.198 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.157 15.754 -9.119 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.942 16.221 -5.451 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.598 14.835 -7.414 1.00 0.00 H new ATOM 597 N ASP A 38 13.427 21.364 -4.981 1.00 0.00 N ATOM 598 CA ASP A 38 13.996 22.642 -4.522 1.00 0.00 C ATOM 599 C ASP A 38 12.956 23.751 -4.243 1.00 0.00 C ATOM 600 O ASP A 38 13.311 24.926 -4.096 1.00 0.00 O ATOM 601 CB ASP A 38 15.163 23.118 -5.414 1.00 0.00 C ATOM 602 CG ASP A 38 16.269 22.073 -5.648 1.00 0.00 C ATOM 603 OD1 ASP A 38 16.862 22.065 -6.753 1.00 0.00 O ATOM 604 OD2 ASP A 38 16.585 21.284 -4.727 1.00 0.00 O1- ATOM 0 H ASP A 38 13.621 20.605 -4.328 1.00 0.00 H new ATOM 0 HA ASP A 38 14.416 22.424 -3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.761 23.423 -6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.610 24.003 -4.961 1.00 0.00 H new ATOM 609 N GLU A 39 11.669 23.403 -4.124 1.00 0.00 N ATOM 610 CA GLU A 39 10.619 24.300 -3.631 1.00 0.00 C ATOM 611 C GLU A 39 10.676 24.418 -2.095 1.00 0.00 C ATOM 612 O GLU A 39 11.161 23.528 -1.397 1.00 0.00 O ATOM 613 CB GLU A 39 9.224 23.859 -4.102 1.00 0.00 C ATOM 614 CG GLU A 39 9.051 24.034 -5.616 1.00 0.00 C ATOM 615 CD GLU A 39 7.682 23.571 -6.147 1.00 0.00 C ATOM 616 OE1 GLU A 39 6.676 23.553 -5.390 1.00 0.00 O ATOM 617 OE2 GLU A 39 7.582 23.243 -7.355 1.00 0.00 O1- ATOM 0 H GLU A 39 11.323 22.476 -4.372 1.00 0.00 H new ATOM 0 HA GLU A 39 10.805 25.287 -4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.065 22.814 -3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.464 24.440 -3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.191 25.085 -5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.835 23.476 -6.128 1.00 0.00 H new ATOM 624 N GLU A 40 10.172 25.531 -1.568 1.00 0.00 N ATOM 625 CA GLU A 40 10.282 25.900 -0.146 1.00 0.00 C ATOM 626 C GLU A 40 8.968 26.510 0.378 1.00 0.00 C ATOM 627 O GLU A 40 8.316 27.295 -0.320 1.00 0.00 O ATOM 628 CB GLU A 40 11.475 26.865 0.029 1.00 0.00 C ATOM 629 CG GLU A 40 11.936 27.031 1.487 1.00 0.00 C ATOM 630 CD GLU A 40 12.456 28.447 1.800 1.00 0.00 C ATOM 631 OE1 GLU A 40 13.161 29.066 0.966 1.00 0.00 O ATOM 632 OE2 GLU A 40 12.169 28.962 2.910 1.00 0.00 O1- ATOM 0 H GLU A 40 9.664 26.220 -2.123 1.00 0.00 H new ATOM 0 HA GLU A 40 10.462 25.005 0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.313 26.503 -0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.200 27.842 -0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.104 26.801 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.723 26.307 1.697 1.00 0.00 H new ATOM 639 N HIS A 41 8.592 26.181 1.618 1.00 0.00 N ATOM 640 CA HIS A 41 7.392 26.694 2.303 1.00 0.00 C ATOM 641 C HIS A 41 7.697 27.062 3.764 1.00 0.00 C ATOM 642 O HIS A 41 8.635 26.531 4.371 1.00 0.00 O ATOM 643 CB HIS A 41 6.236 25.681 2.227 1.00 0.00 C ATOM 644 CG HIS A 41 5.913 25.142 0.858 1.00 0.00 C ATOM 645 ND1 HIS A 41 5.007 25.701 -0.048 1.00 0.00 N ATOM 646 CD2 HIS A 41 6.411 23.982 0.328 1.00 0.00 C ATOM 647 CE1 HIS A 41 4.983 24.871 -1.105 1.00 0.00 C ATOM 648 NE2 HIS A 41 5.823 23.838 -0.909 1.00 0.00 N ATOM 0 H HIS A 41 9.128 25.531 2.194 1.00 0.00 H new ATOM 0 HA HIS A 41 7.082 27.602 1.786 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.474 24.840 2.879 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.340 26.153 2.630 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.123 23.313 0.788 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.376 25.013 -1.987 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.995 23.077 -1.566 1.00 0.00 H new ATOM 656 N ALA A 42 6.888 27.957 4.338 1.00 0.00 N ATOM 657 CA ALA A 42 7.025 28.447 5.713 1.00 0.00 C ATOM 658 C ALA A 42 5.653 28.622 6.390 1.00 0.00 C ATOM 659 O ALA A 42 4.680 29.041 5.756 1.00 0.00 O ATOM 660 CB ALA A 42 7.832 29.753 5.711 1.00 0.00 C ATOM 0 H ALA A 42 6.097 28.372 3.845 1.00 0.00 H new ATOM 0 HA ALA A 42 7.565 27.705 6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.935 30.119 6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.821 29.569 5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.314 30.500 5.109 1.00 0.00 H new ATOM 666 N PHE A 43 5.590 28.304 7.688 1.00 0.00 N ATOM 667 CA PHE A 43 4.359 28.161 8.469 1.00 0.00 C ATOM 668 C PHE A 43 4.518 28.780 9.875 1.00 0.00 C ATOM 669 O PHE A 43 4.980 28.107 10.807 1.00 0.00 O ATOM 670 CB PHE A 43 3.980 26.668 8.536 1.00 0.00 C ATOM 671 CG PHE A 43 3.959 25.945 7.201 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.951 24.991 6.901 1.00 0.00 C ATOM 673 CD2 PHE A 43 2.967 26.240 6.246 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.955 24.342 5.657 1.00 0.00 C ATOM 675 CE2 PHE A 43 2.977 25.595 4.997 1.00 0.00 C ATOM 676 CZ PHE A 43 3.972 24.648 4.698 1.00 0.00 C ATOM 0 H PHE A 43 6.428 28.133 8.243 1.00 0.00 H new ATOM 0 HA PHE A 43 3.551 28.706 7.981 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.684 26.160 9.195 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.995 26.580 8.994 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.712 24.758 7.632 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.197 26.963 6.473 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.714 23.606 5.435 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.218 25.828 4.265 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.982 24.157 3.736 1.00 0.00 H new ATOM 686 N PRO A 44 4.169 30.066 10.056 1.00 0.00 N ATOM 687 CA PRO A 44 4.192 30.737 11.358 1.00 0.00 C ATOM 688 C PRO A 44 3.254 30.100 12.392 1.00 0.00 C ATOM 689 O PRO A 44 2.163 29.625 12.061 1.00 0.00 O ATOM 690 CB PRO A 44 3.840 32.207 11.089 1.00 0.00 C ATOM 691 CG PRO A 44 4.217 32.404 9.619 1.00 0.00 C ATOM 692 CD PRO A 44 3.873 31.041 9.014 1.00 0.00 C ATOM 0 HA PRO A 44 5.180 30.640 11.808 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.782 32.404 11.261 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.399 32.879 11.740 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.648 33.210 9.157 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.272 32.649 9.498 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.824 30.995 8.721 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.463 30.849 8.118 1.00 0.00 H new ATOM 700 N GLY A 45 3.669 30.125 13.664 1.00 0.00 N ATOM 701 CA GLY A 45 2.905 29.616 14.810 1.00 0.00 C ATOM 702 C GLY A 45 3.065 28.112 15.070 1.00 0.00 C ATOM 703 O GLY A 45 2.442 27.585 15.995 1.00 0.00 O ATOM 0 H GLY A 45 4.574 30.512 13.933 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.211 30.160 15.704 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.849 29.833 14.651 1.00 0.00 H new ATOM 707 N LEU A 46 3.896 27.410 14.291 1.00 0.00 N ATOM 708 CA LEU A 46 4.146 25.972 14.420 1.00 0.00 C ATOM 709 C LEU A 46 5.539 25.638 14.995 1.00 0.00 C ATOM 710 O LEU A 46 6.472 26.446 14.941 1.00 0.00 O ATOM 711 CB LEU A 46 3.926 25.257 13.070 1.00 0.00 C ATOM 712 CG LEU A 46 2.516 25.398 12.455 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.417 24.539 11.198 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.395 24.947 13.394 1.00 0.00 C ATOM 0 H LEU A 46 4.427 27.839 13.533 1.00 0.00 H new ATOM 0 HA LEU A 46 3.422 25.601 15.145 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.654 25.641 12.355 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.139 24.196 13.203 1.00 0.00 H new ATOM 0 HG LEU A 46 2.387 26.460 12.245 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.421 24.640 10.766 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.162 24.867 10.473 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.597 23.495 11.456 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.432 25.073 12.898 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.536 23.897 13.651 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.417 25.549 14.302 1.00 0.00 H new ATOM 726 N ALA A 47 5.661 24.404 15.483 1.00 0.00 N ATOM 727 CA ALA A 47 6.896 23.690 15.828 1.00 0.00 C ATOM 728 C ALA A 47 6.760 22.195 15.445 1.00 0.00 C ATOM 729 O ALA A 47 5.649 21.693 15.262 1.00 0.00 O ATOM 730 CB ALA A 47 7.191 23.882 17.320 1.00 0.00 C ATOM 0 H ALA A 47 4.837 23.831 15.662 1.00 0.00 H new ATOM 0 HA ALA A 47 7.738 24.094 15.267 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.108 23.353 17.581 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.312 24.944 17.533 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.364 23.485 17.908 1.00 0.00 H new ATOM 736 N ILE A 48 7.877 21.464 15.313 1.00 0.00 N ATOM 737 CA ILE A 48 7.856 20.012 15.031 1.00 0.00 C ATOM 738 C ILE A 48 7.394 19.263 16.296 1.00 0.00 C ATOM 739 O ILE A 48 8.006 19.396 17.359 1.00 0.00 O ATOM 740 CB ILE A 48 9.226 19.506 14.521 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.690 20.228 13.234 1.00 0.00 C ATOM 742 CG2 ILE A 48 9.174 17.990 14.259 1.00 0.00 C ATOM 743 CD1 ILE A 48 11.215 20.207 13.063 1.00 0.00 C ATOM 0 H ILE A 48 8.816 21.854 15.397 1.00 0.00 H new ATOM 0 HA ILE A 48 7.148 19.813 14.226 1.00 0.00 H new ATOM 0 HB ILE A 48 9.949 19.729 15.306 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.225 19.756 12.369 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.345 21.262 13.257 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.145 17.649 13.901 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.925 17.469 15.184 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.415 17.777 13.507 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.485 20.727 12.144 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.683 20.704 13.913 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.561 19.175 13.011 1.00 0.00 H new ATOM 755 N GLY A 49 6.308 18.488 16.188 1.00 0.00 N ATOM 756 CA GLY A 49 5.687 17.778 17.316 1.00 0.00 C ATOM 757 C GLY A 49 6.012 16.291 17.394 1.00 0.00 C ATOM 758 O GLY A 49 6.180 15.760 18.492 1.00 0.00 O ATOM 0 H GLY A 49 5.828 18.333 15.302 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.003 18.254 18.244 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.605 17.896 17.250 1.00 0.00 H new ATOM 762 N ARG A 50 6.110 15.604 16.247 1.00 0.00 N ATOM 763 CA ARG A 50 6.258 14.142 16.167 1.00 0.00 C ATOM 764 C ARG A 50 6.985 13.716 14.893 1.00 0.00 C ATOM 765 O ARG A 50 6.780 14.313 13.837 1.00 0.00 O ATOM 766 CB ARG A 50 4.854 13.519 16.245 1.00 0.00 C ATOM 767 CG ARG A 50 4.814 11.991 16.310 1.00 0.00 C ATOM 768 CD ARG A 50 3.356 11.538 16.466 1.00 0.00 C ATOM 769 NE ARG A 50 3.264 10.095 16.732 1.00 0.00 N ATOM 770 CZ ARG A 50 2.189 9.338 16.706 1.00 0.00 C ATOM 771 NH1 ARG A 50 1.011 9.785 16.372 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 2.307 8.090 17.034 1.00 0.00 N ATOM 0 H ARG A 50 6.088 16.056 15.333 1.00 0.00 H new ATOM 0 HA ARG A 50 6.870 13.790 16.997 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.348 13.916 17.125 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.283 13.843 15.375 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.247 11.564 15.405 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.412 11.634 17.149 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.888 12.090 17.281 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.801 11.778 15.559 1.00 0.00 H new ATOM 0 HE ARG A 50 4.139 9.625 16.965 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.891 10.765 16.114 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.209 9.155 16.368 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.217 7.717 17.304 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.489 7.480 17.023 1.00 0.00 H new ATOM 786 N VAL A 51 7.796 12.661 14.989 1.00 0.00 N ATOM 787 CA VAL A 51 8.525 12.037 13.876 1.00 0.00 C ATOM 788 C VAL A 51 8.404 10.519 13.997 1.00 0.00 C ATOM 789 O VAL A 51 8.833 9.942 14.991 1.00 0.00 O ATOM 790 CB VAL A 51 10.009 12.471 13.865 1.00 0.00 C ATOM 791 CG1 VAL A 51 10.764 11.877 12.667 1.00 0.00 C ATOM 792 CG2 VAL A 51 10.185 13.995 13.834 1.00 0.00 C ATOM 0 H VAL A 51 7.972 12.197 15.880 1.00 0.00 H new ATOM 0 HA VAL A 51 8.088 12.365 12.933 1.00 0.00 H new ATOM 0 HB VAL A 51 10.424 12.088 14.797 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.803 12.204 12.693 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.725 10.789 12.716 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.300 12.216 11.740 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.247 14.239 13.828 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.715 14.397 12.937 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.718 14.433 14.716 1.00 0.00 H new ATOM 802 N ASP A 52 7.816 9.864 12.995 1.00 0.00 N ATOM 803 CA ASP A 52 7.608 8.408 12.959 1.00 0.00 C ATOM 804 C ASP A 52 8.302 7.789 11.738 1.00 0.00 C ATOM 805 O ASP A 52 7.885 7.983 10.589 1.00 0.00 O ATOM 806 CB ASP A 52 6.103 8.094 13.010 1.00 0.00 C ATOM 807 CG ASP A 52 5.800 6.599 13.170 1.00 0.00 C ATOM 808 OD1 ASP A 52 6.628 5.731 12.815 1.00 0.00 O ATOM 809 OD2 ASP A 52 4.714 6.268 13.701 1.00 0.00 O1- ATOM 0 H ASP A 52 7.461 10.338 12.165 1.00 0.00 H new ATOM 0 HA ASP A 52 8.066 7.953 13.837 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.653 8.640 13.839 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.632 8.457 12.097 1.00 0.00 H new ATOM 814 N LEU A 53 9.392 7.057 11.988 1.00 0.00 N ATOM 815 CA LEU A 53 10.283 6.497 10.971 1.00 0.00 C ATOM 816 C LEU A 53 9.762 5.170 10.379 1.00 0.00 C ATOM 817 O LEU A 53 10.228 4.741 9.323 1.00 0.00 O ATOM 818 CB LEU A 53 11.697 6.332 11.567 1.00 0.00 C ATOM 819 CG LEU A 53 12.421 7.606 12.059 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.334 8.762 11.058 1.00 0.00 C ATOM 821 CD2 LEU A 53 11.972 8.119 13.429 1.00 0.00 C ATOM 0 H LEU A 53 9.687 6.831 12.938 1.00 0.00 H new ATOM 0 HA LEU A 53 10.319 7.196 10.136 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.629 5.639 12.406 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.326 5.859 10.813 1.00 0.00 H new ATOM 0 HG LEU A 53 13.454 7.271 12.156 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.860 9.629 11.457 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.792 8.462 10.115 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.288 9.018 10.888 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.538 9.015 13.685 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.909 8.358 13.398 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.149 7.350 14.181 1.00 0.00 H new ATOM 833 N ARG A 54 8.772 4.537 11.025 1.00 0.00 N ATOM 834 CA ARG A 54 8.079 3.336 10.523 1.00 0.00 C ATOM 835 C ARG A 54 7.143 3.697 9.364 1.00 0.00 C ATOM 836 O ARG A 54 7.082 2.989 8.358 1.00 0.00 O ATOM 837 CB ARG A 54 7.273 2.686 11.661 1.00 0.00 C ATOM 838 CG ARG A 54 8.095 2.324 12.912 1.00 0.00 C ATOM 839 CD ARG A 54 7.197 2.104 14.136 1.00 0.00 C ATOM 840 NE ARG A 54 6.534 3.354 14.555 1.00 0.00 N ATOM 841 CZ ARG A 54 6.187 3.723 15.772 1.00 0.00 C ATOM 842 NH1 ARG A 54 5.511 4.813 15.949 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 6.484 3.039 16.843 1.00 0.00 N ATOM 0 H ARG A 54 8.422 4.850 11.930 1.00 0.00 H new ATOM 0 HA ARG A 54 8.826 2.631 10.159 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.473 3.365 11.954 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.800 1.781 11.281 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.674 1.421 12.718 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.808 3.121 13.122 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.443 1.352 13.904 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.794 1.714 14.960 1.00 0.00 H new ATOM 0 HE ARG A 54 6.317 4.015 13.809 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.247 5.385 15.147 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.242 5.099 16.890 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.011 2.170 16.763 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.189 3.374 17.760 1.00 0.00 H new ATOM 857 N SER A 55 6.434 4.818 9.514 1.00 0.00 N ATOM 858 CA SER A 55 5.484 5.364 8.535 1.00 0.00 C ATOM 859 C SER A 55 6.118 6.345 7.530 1.00 0.00 C ATOM 860 O SER A 55 5.686 6.427 6.378 1.00 0.00 O ATOM 861 CB SER A 55 4.346 6.052 9.305 1.00 0.00 C ATOM 862 OG SER A 55 3.260 6.393 8.458 1.00 0.00 O ATOM 0 H SER A 55 6.507 5.395 10.352 1.00 0.00 H new ATOM 0 HA SER A 55 5.114 4.533 7.934 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.994 5.392 10.098 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.727 6.953 9.786 1.00 0.00 H new ATOM 0 HG SER A 55 2.557 6.827 8.986 1.00 0.00 H new ATOM 868 N GLY A 56 7.164 7.071 7.942 1.00 0.00 N ATOM 869 CA GLY A 56 7.804 8.134 7.152 1.00 0.00 C ATOM 870 C GLY A 56 7.052 9.470 7.233 1.00 0.00 C ATOM 871 O GLY A 56 6.841 10.128 6.209 1.00 0.00 O ATOM 0 H GLY A 56 7.600 6.934 8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.826 8.276 7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.865 7.819 6.110 1.00 0.00 H new ATOM 875 N VAL A 57 6.595 9.847 8.433 1.00 0.00 N ATOM 876 CA VAL A 57 5.696 10.994 8.661 1.00 0.00 C ATOM 877 C VAL A 57 6.223 11.906 9.775 1.00 0.00 C ATOM 878 O VAL A 57 6.708 11.442 10.811 1.00 0.00 O ATOM 879 CB VAL A 57 4.258 10.522 8.959 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.292 11.683 9.225 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.688 9.721 7.783 1.00 0.00 C ATOM 0 H VAL A 57 6.842 9.356 9.292 1.00 0.00 H new ATOM 0 HA VAL A 57 5.671 11.581 7.743 1.00 0.00 H new ATOM 0 HB VAL A 57 4.337 9.907 9.855 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.296 11.289 9.428 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.639 12.255 10.086 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.253 12.332 8.350 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.673 9.400 8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.672 10.346 6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.312 8.846 7.602 1.00 0.00 H new ATOM 891 N ILE A 58 6.094 13.216 9.560 1.00 0.00 N ATOM 892 CA ILE A 58 6.467 14.298 10.478 1.00 0.00 C ATOM 893 C ILE A 58 5.227 15.166 10.738 1.00 0.00 C ATOM 894 O ILE A 58 4.691 15.779 9.811 1.00 0.00 O ATOM 895 CB ILE A 58 7.638 15.107 9.860 1.00 0.00 C ATOM 896 CG1 ILE A 58 8.906 14.222 9.752 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.905 16.394 10.659 1.00 0.00 C ATOM 898 CD1 ILE A 58 10.107 14.886 9.064 1.00 0.00 C ATOM 0 H ILE A 58 5.703 13.574 8.688 1.00 0.00 H new ATOM 0 HA ILE A 58 6.811 13.907 11.436 1.00 0.00 H new ATOM 0 HB ILE A 58 7.356 15.411 8.852 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.204 13.918 10.755 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.651 13.314 9.206 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.731 16.941 10.203 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.011 17.017 10.654 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.163 16.137 11.686 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.943 14.187 9.038 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.835 15.165 8.046 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.397 15.778 9.619 1.00 0.00 H new ATOM 910 N SER A 59 4.755 15.241 11.984 1.00 0.00 N ATOM 911 CA SER A 59 3.581 16.039 12.371 1.00 0.00 C ATOM 912 C SER A 59 4.003 17.333 13.061 1.00 0.00 C ATOM 913 O SER A 59 4.784 17.311 14.017 1.00 0.00 O ATOM 914 CB SER A 59 2.623 15.270 13.288 1.00 0.00 C ATOM 915 OG SER A 59 2.330 13.971 12.784 1.00 0.00 O ATOM 0 H SER A 59 5.181 14.744 12.766 1.00 0.00 H new ATOM 0 HA SER A 59 3.053 16.269 11.446 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.064 15.183 14.281 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.697 15.833 13.399 1.00 0.00 H new ATOM 0 HG SER A 59 1.718 13.513 13.397 1.00 0.00 H new ATOM 921 N LEU A 60 3.476 18.469 12.603 1.00 0.00 N ATOM 922 CA LEU A 60 3.649 19.780 13.232 1.00 0.00 C ATOM 923 C LEU A 60 2.534 20.070 14.252 1.00 0.00 C ATOM 924 O LEU A 60 1.402 19.600 14.107 1.00 0.00 O ATOM 925 CB LEU A 60 3.730 20.877 12.163 1.00 0.00 C ATOM 926 CG LEU A 60 4.738 20.638 11.023 1.00 0.00 C ATOM 927 CD1 LEU A 60 4.830 21.907 10.173 1.00 0.00 C ATOM 928 CD2 LEU A 60 6.142 20.285 11.522 1.00 0.00 C ATOM 0 H LEU A 60 2.901 18.504 11.761 1.00 0.00 H new ATOM 0 HA LEU A 60 4.589 19.770 13.784 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.740 21.003 11.725 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.983 21.817 12.654 1.00 0.00 H new ATOM 0 HG LEU A 60 4.374 19.787 10.447 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.541 21.751 9.362 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.849 22.138 9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.165 22.738 10.794 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.803 20.129 10.669 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.526 21.101 12.135 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.098 19.373 12.118 1.00 0.00 H new ATOM 940 N ILE A 61 2.858 20.876 15.263 1.00 0.00 N ATOM 941 CA ILE A 61 1.962 21.300 16.356 1.00 0.00 C ATOM 942 C ILE A 61 2.078 22.811 16.600 1.00 0.00 C ATOM 943 O ILE A 61 3.052 23.445 16.193 1.00 0.00 O ATOM 944 CB ILE A 61 2.210 20.471 17.647 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.659 20.482 18.199 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.765 19.016 17.416 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.034 21.710 19.030 1.00 0.00 C ATOM 0 H ILE A 61 3.793 21.273 15.353 1.00 0.00 H new ATOM 0 HA ILE A 61 0.934 21.100 16.052 1.00 0.00 H new ATOM 0 HB ILE A 61 1.614 20.968 18.413 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.803 19.592 18.811 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.350 20.407 17.360 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.939 18.434 18.321 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.703 18.995 17.169 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.337 18.587 16.593 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.066 21.619 19.368 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.929 22.608 18.421 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.374 21.780 19.895 1.00 0.00 H new ATOM 959 N GLU A 62 1.084 23.401 17.274 1.00 0.00 N ATOM 960 CA GLU A 62 1.102 24.811 17.685 1.00 0.00 C ATOM 961 C GLU A 62 2.220 25.088 18.695 1.00 0.00 C ATOM 962 O GLU A 62 2.275 24.468 19.758 1.00 0.00 O ATOM 963 CB GLU A 62 -0.255 25.186 18.299 1.00 0.00 C ATOM 964 CG GLU A 62 -1.329 25.481 17.243 1.00 0.00 C ATOM 965 CD GLU A 62 -1.203 26.889 16.626 1.00 0.00 C ATOM 966 OE1 GLU A 62 -0.923 27.857 17.373 1.00 0.00 O ATOM 967 OE2 GLU A 62 -1.439 27.044 15.404 1.00 0.00 O1- ATOM 0 H GLU A 62 0.235 22.908 17.553 1.00 0.00 H new ATOM 0 HA GLU A 62 1.290 25.419 16.800 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.596 24.372 18.939 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.130 26.061 18.937 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.264 24.736 16.450 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.314 25.377 17.697 1.00 0.00 H new ATOM 974 N GLU A 63 3.083 26.068 18.419 1.00 0.00 N ATOM 975 CA GLU A 63 4.170 26.485 19.331 1.00 0.00 C ATOM 976 C GLU A 63 3.650 27.160 20.619 1.00 0.00 C ATOM 977 O GLU A 63 4.395 27.337 21.581 1.00 0.00 O ATOM 978 CB GLU A 63 5.189 27.355 18.564 1.00 0.00 C ATOM 979 CG GLU A 63 4.711 28.760 18.134 1.00 0.00 C ATOM 980 CD GLU A 63 5.189 29.949 19.002 1.00 0.00 C ATOM 981 OE1 GLU A 63 6.199 29.854 19.737 1.00 0.00 O ATOM 982 OE2 GLU A 63 4.553 31.032 18.918 1.00 0.00 O1- ATOM 0 H GLU A 63 3.054 26.604 17.551 1.00 0.00 H new ATOM 0 HA GLU A 63 4.683 25.589 19.679 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.075 27.472 19.188 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.498 26.812 17.671 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.039 28.933 17.109 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.621 28.761 18.125 1.00 0.00 H new ATOM 989 N GLN A 64 2.356 27.504 20.653 1.00 0.00 N ATOM 990 CA GLN A 64 1.620 28.064 21.799 1.00 0.00 C ATOM 991 C GLN A 64 0.593 27.096 22.410 1.00 0.00 C ATOM 992 O GLN A 64 -0.220 27.461 23.263 1.00 0.00 O ATOM 993 CB GLN A 64 0.959 29.382 21.374 1.00 0.00 C ATOM 994 CG GLN A 64 1.975 30.360 20.760 1.00 0.00 C ATOM 995 CD GLN A 64 1.419 31.737 20.413 1.00 0.00 C ATOM 996 OE1 GLN A 64 0.323 32.140 20.792 1.00 0.00 O ATOM 997 NE2 GLN A 64 2.181 32.517 19.672 1.00 0.00 N ATOM 0 H GLN A 64 1.758 27.393 19.834 1.00 0.00 H new ATOM 0 HA GLN A 64 2.343 28.246 22.594 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.170 29.176 20.651 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.485 29.846 22.239 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.803 30.485 21.458 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.386 29.912 19.855 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.092 32.187 19.355 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.859 33.450 19.416 1.00 0.00 H new ATOM 1006 N ASN A 65 0.640 25.848 21.942 1.00 0.00 N ATOM 1007 CA ASN A 65 -0.182 24.696 22.340 1.00 0.00 C ATOM 1008 C ASN A 65 -1.714 24.950 22.302 1.00 0.00 C ATOM 1009 O ASN A 65 -2.466 24.380 23.101 1.00 0.00 O ATOM 1010 CB ASN A 65 0.346 24.159 23.681 1.00 0.00 C ATOM 1011 CG ASN A 65 1.825 23.814 23.647 1.00 0.00 C ATOM 1012 OD1 ASN A 65 2.652 24.449 24.291 1.00 0.00 O ATOM 1013 ND2 ASN A 65 2.222 22.808 22.895 1.00 0.00 N ATOM 0 H ASN A 65 1.308 25.592 21.215 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.073 23.915 21.587 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.171 24.904 24.457 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.221 23.271 23.958 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.211 22.563 22.852 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.540 22.274 22.356 1.00 0.00 H new ATOM 1020 N ARG A 66 -2.169 25.811 21.378 1.00 0.00 N ATOM 1021 CA ARG A 66 -3.579 26.206 21.172 1.00 0.00 C ATOM 1022 C ARG A 66 -4.458 25.065 20.633 1.00 0.00 C ATOM 1023 O ARG A 66 -5.627 24.964 21.075 1.00 0.00 O ATOM 1024 CB ARG A 66 -3.635 27.448 20.257 1.00 0.00 C ATOM 1025 CG ARG A 66 -3.038 28.688 20.951 1.00 0.00 C ATOM 1026 CD ARG A 66 -3.095 29.953 20.085 1.00 0.00 C ATOM 1027 NE ARG A 66 -2.202 29.884 18.917 1.00 0.00 N ATOM 1028 CZ ARG A 66 -1.809 30.885 18.155 1.00 0.00 C ATOM 1029 NH1 ARG A 66 -2.176 32.118 18.348 1.00 0.00 N1+ ATOM 1030 NH2 ARG A 66 -1.028 30.625 17.153 1.00 0.00 N ATOM 1031 OXT ARG A 66 -3.993 24.277 19.775 1.00 0.00 O1- ATOM 0 H ARG A 66 -1.539 26.274 20.723 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.998 26.454 22.147 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.089 27.247 19.335 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.669 27.649 19.977 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.575 28.869 21.882 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.001 28.484 21.216 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.119 30.110 19.745 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.825 30.817 20.693 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.848 28.960 18.670 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.799 32.349 19.121 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.840 32.853 17.726 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.734 29.665 16.971 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.708 31.380 16.546 1.00 0.00 H new TER 1045 ARG A 66 ATOM 1046 N GLY B -3 13.828 -3.850 -3.227 1.00 0.00 N ATOM 1047 CA GLY B -3 12.961 -4.144 -2.063 1.00 0.00 C ATOM 1048 C GLY B -3 12.149 -2.925 -1.632 1.00 0.00 C ATOM 1049 O GLY B -3 12.032 -1.958 -2.397 1.00 0.00 O ATOM 0 H1 GLY B -3 13.653 -4.550 -3.976 1.00 0.00 H new ATOM 0 H2 GLY B -3 13.615 -2.898 -3.586 1.00 0.00 H new ATOM 0 H3 GLY B -3 14.826 -3.896 -2.937 1.00 0.00 H new ATOM 0 HA2 GLY B -3 12.284 -4.961 -2.313 1.00 0.00 H new ATOM 0 HA3 GLY B -3 13.576 -4.483 -1.229 1.00 0.00 H new ATOM 1055 N PRO B -2 11.572 -2.945 -0.410 1.00 0.00 N ATOM 1056 CA PRO B -2 10.776 -1.843 0.136 1.00 0.00 C ATOM 1057 C PRO B -2 11.552 -0.520 0.248 1.00 0.00 C ATOM 1058 O PRO B -2 12.760 -0.517 0.511 1.00 0.00 O ATOM 1059 CB PRO B -2 10.301 -2.319 1.514 1.00 0.00 C ATOM 1060 CG PRO B -2 10.316 -3.842 1.388 1.00 0.00 C ATOM 1061 CD PRO B -2 11.531 -4.086 0.500 1.00 0.00 C ATOM 0 HA PRO B -2 9.948 -1.616 -0.536 1.00 0.00 H new ATOM 0 HB2 PRO B -2 10.964 -1.975 2.308 1.00 0.00 H new ATOM 0 HB3 PRO B -2 9.304 -1.945 1.747 1.00 0.00 H new ATOM 0 HG2 PRO B -2 10.418 -4.329 2.358 1.00 0.00 H new ATOM 0 HG3 PRO B -2 9.400 -4.221 0.936 1.00 0.00 H new ATOM 0 HD2 PRO B -2 12.444 -4.152 1.091 1.00 0.00 H new ATOM 0 HD3 PRO B -2 11.437 -5.024 -0.048 1.00 0.00 H new ATOM 1069 N GLY B -1 10.854 0.607 0.062 1.00 0.00 N ATOM 1070 CA GLY B -1 11.431 1.953 0.205 1.00 0.00 C ATOM 1071 C GLY B -1 11.722 2.348 1.659 1.00 0.00 C ATOM 1072 O GLY B -1 11.069 1.875 2.594 1.00 0.00 O ATOM 0 H GLY B -1 9.867 0.613 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY B -1 12.357 2.005 -0.368 1.00 0.00 H new ATOM 0 HA3 GLY B -1 10.746 2.681 -0.230 1.00 0.00 H new ATOM 1076 N SER B 0 12.715 3.224 1.847 1.00 0.00 N ATOM 1077 CA SER B 0 13.138 3.790 3.145 1.00 0.00 C ATOM 1078 C SER B 0 13.453 2.717 4.203 1.00 0.00 C ATOM 1079 O SER B 0 12.951 2.747 5.330 1.00 0.00 O ATOM 1080 CB SER B 0 12.129 4.840 3.645 1.00 0.00 C ATOM 1081 OG SER B 0 11.963 5.867 2.676 1.00 0.00 O ATOM 0 H SER B 0 13.273 3.577 1.070 1.00 0.00 H new ATOM 0 HA SER B 0 14.085 4.302 2.973 1.00 0.00 H new ATOM 0 HB2 SER B 0 11.170 4.364 3.848 1.00 0.00 H new ATOM 0 HB3 SER B 0 12.477 5.270 4.584 1.00 0.00 H new ATOM 0 HG SER B 0 11.318 6.527 3.006 1.00 0.00 H new ATOM 1087 N MET B 1 14.283 1.737 3.825 1.00 0.00 N ATOM 1088 CA MET B 1 14.595 0.533 4.610 1.00 0.00 C ATOM 1089 C MET B 1 15.482 0.747 5.861 1.00 0.00 C ATOM 1090 O MET B 1 15.808 -0.222 6.551 1.00 0.00 O ATOM 1091 CB MET B 1 15.167 -0.551 3.673 1.00 0.00 C ATOM 1092 CG MET B 1 16.631 -0.337 3.250 1.00 0.00 C ATOM 1093 SD MET B 1 17.005 1.101 2.200 1.00 0.00 S ATOM 1094 CE MET B 1 16.230 0.589 0.641 1.00 0.00 C ATOM 0 H MET B 1 14.774 1.760 2.932 1.00 0.00 H new ATOM 0 HA MET B 1 13.649 0.204 5.041 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.085 -1.518 4.168 1.00 0.00 H new ATOM 0 HB3 MET B 1 14.549 -0.599 2.777 1.00 0.00 H new ATOM 0 HG2 MET B 1 17.234 -0.258 4.155 1.00 0.00 H new ATOM 0 HG3 MET B 1 16.963 -1.232 2.724 1.00 0.00 H new ATOM 0 HE1 MET B 1 16.463 1.316 -0.137 1.00 0.00 H new ATOM 0 HE2 MET B 1 16.612 -0.389 0.349 1.00 0.00 H new ATOM 0 HE3 MET B 1 15.150 0.532 0.773 1.00 0.00 H new ATOM 1104 N CYS B 2 15.855 1.993 6.163 1.00 0.00 N ATOM 1105 CA CYS B 2 16.754 2.382 7.251 1.00 0.00 C ATOM 1106 C CYS B 2 16.124 3.444 8.170 1.00 0.00 C ATOM 1107 O CYS B 2 15.485 4.392 7.704 1.00 0.00 O ATOM 1108 CB CYS B 2 18.063 2.892 6.635 1.00 0.00 C ATOM 1109 SG CYS B 2 18.977 1.556 5.805 1.00 0.00 S ATOM 0 H CYS B 2 15.522 2.796 5.630 1.00 0.00 H new ATOM 0 HA CYS B 2 16.949 1.513 7.880 1.00 0.00 H new ATOM 0 HB2 CYS B 2 17.844 3.684 5.919 1.00 0.00 H new ATOM 0 HB3 CYS B 2 18.686 3.330 7.414 1.00 0.00 H new ATOM 0 HG CYS B 2 20.075 2.032 5.297 1.00 0.00 H new ATOM 1115 N MET B 3 16.336 3.308 9.483 1.00 0.00 N ATOM 1116 CA MET B 3 15.886 4.254 10.518 1.00 0.00 C ATOM 1117 C MET B 3 16.779 5.506 10.613 1.00 0.00 C ATOM 1118 O MET B 3 17.941 5.509 10.195 1.00 0.00 O ATOM 1119 CB MET B 3 15.827 3.533 11.876 1.00 0.00 C ATOM 1120 CG MET B 3 14.543 2.720 12.075 1.00 0.00 C ATOM 1121 SD MET B 3 14.392 1.177 11.126 1.00 0.00 S ATOM 1122 CE MET B 3 15.587 0.144 12.016 1.00 0.00 C ATOM 0 H MET B 3 16.842 2.512 9.871 1.00 0.00 H new ATOM 0 HA MET B 3 14.893 4.604 10.235 1.00 0.00 H new ATOM 0 HB2 MET B 3 16.687 2.869 11.965 1.00 0.00 H new ATOM 0 HB3 MET B 3 15.910 4.270 12.675 1.00 0.00 H new ATOM 0 HG2 MET B 3 14.456 2.477 13.134 1.00 0.00 H new ATOM 0 HG3 MET B 3 13.695 3.357 11.824 1.00 0.00 H new ATOM 0 HE1 MET B 3 15.316 -0.906 11.903 1.00 0.00 H new ATOM 0 HE2 MET B 3 16.584 0.307 11.607 1.00 0.00 H new ATOM 0 HE3 MET B 3 15.580 0.409 13.073 1.00 0.00 H new ATOM 1132 N ALA B 4 16.234 6.569 11.211 1.00 0.00 N ATOM 1133 CA ALA B 4 16.950 7.801 11.553 1.00 0.00 C ATOM 1134 C ALA B 4 17.870 7.641 12.784 1.00 0.00 C ATOM 1135 O ALA B 4 17.919 6.577 13.412 1.00 0.00 O ATOM 1136 CB ALA B 4 15.891 8.895 11.770 1.00 0.00 C ATOM 0 H ALA B 4 15.250 6.597 11.479 1.00 0.00 H new ATOM 0 HA ALA B 4 17.623 8.070 10.739 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.384 9.832 12.028 1.00 0.00 H new ATOM 0 HB2 ALA B 4 15.313 9.028 10.856 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.225 8.601 12.581 1.00 0.00 H new ATOM 1142 N LYS B 5 18.529 8.738 13.173 1.00 0.00 N ATOM 1143 CA LYS B 5 19.237 8.918 14.455 1.00 0.00 C ATOM 1144 C LYS B 5 18.876 10.263 15.107 1.00 0.00 C ATOM 1145 O LYS B 5 18.598 11.229 14.398 1.00 0.00 O ATOM 1146 CB LYS B 5 20.761 8.764 14.258 1.00 0.00 C ATOM 1147 CG LYS B 5 21.382 9.786 13.281 1.00 0.00 C ATOM 1148 CD LYS B 5 22.915 9.665 13.196 1.00 0.00 C ATOM 1149 CE LYS B 5 23.581 10.207 14.464 1.00 0.00 C ATOM 1150 NZ LYS B 5 25.053 10.043 14.429 1.00 0.00 N1+ ATOM 0 H LYS B 5 18.589 9.565 12.579 1.00 0.00 H new ATOM 0 HA LYS B 5 18.911 8.136 15.141 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.252 8.860 15.226 1.00 0.00 H new ATOM 0 HB3 LYS B 5 20.969 7.758 13.893 1.00 0.00 H new ATOM 0 HG2 LYS B 5 20.954 9.642 12.289 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.118 10.795 13.599 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.193 8.621 13.053 1.00 0.00 H new ATOM 0 HD3 LYS B 5 23.279 10.214 12.327 1.00 0.00 H new ATOM 0 HE2 LYS B 5 23.336 11.263 14.580 1.00 0.00 H new ATOM 0 HE3 LYS B 5 23.179 9.689 15.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 25.470 10.468 15.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 25.289 9.031 14.396 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 25.435 10.515 13.585 1.00 0.00 H new ATOM 1164 N VAL B 6 18.913 10.336 16.439 1.00 0.00 N ATOM 1165 CA VAL B 6 18.662 11.564 17.232 1.00 0.00 C ATOM 1166 C VAL B 6 19.969 12.106 17.823 1.00 0.00 C ATOM 1167 O VAL B 6 20.822 11.309 18.225 1.00 0.00 O ATOM 1168 CB VAL B 6 17.620 11.342 18.351 1.00 0.00 C ATOM 1169 CG1 VAL B 6 17.132 12.663 18.960 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.387 10.568 17.873 1.00 0.00 C ATOM 0 H VAL B 6 19.123 9.526 17.022 1.00 0.00 H new ATOM 0 HA VAL B 6 18.247 12.302 16.545 1.00 0.00 H new ATOM 0 HB VAL B 6 18.147 10.755 19.103 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.401 12.455 19.742 1.00 0.00 H new ATOM 0 HG12 VAL B 6 17.978 13.201 19.388 1.00 0.00 H new ATOM 0 HG13 VAL B 6 16.670 13.273 18.184 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.691 10.443 18.703 1.00 0.00 H new ATOM 0 HG22 VAL B 6 15.899 11.121 17.070 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.692 9.588 17.505 1.00 0.00 H new ATOM 1180 N VAL B 7 20.132 13.427 17.915 1.00 0.00 N ATOM 1181 CA VAL B 7 21.264 14.099 18.588 1.00 0.00 C ATOM 1182 C VAL B 7 20.814 15.333 19.392 1.00 0.00 C ATOM 1183 O VAL B 7 19.905 16.069 18.992 1.00 0.00 O ATOM 1184 CB VAL B 7 22.393 14.425 17.585 1.00 0.00 C ATOM 1185 CG1 VAL B 7 21.965 15.391 16.470 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.629 15.030 18.265 1.00 0.00 C ATOM 0 H VAL B 7 19.464 14.086 17.514 1.00 0.00 H new ATOM 0 HA VAL B 7 21.674 13.400 19.317 1.00 0.00 H new ATOM 0 HB VAL B 7 22.636 13.457 17.148 1.00 0.00 H new ATOM 0 HG11 VAL B 7 22.808 15.574 15.804 1.00 0.00 H new ATOM 0 HG12 VAL B 7 21.144 14.952 15.904 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.639 16.333 16.910 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.391 15.240 17.514 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.351 15.956 18.768 1.00 0.00 H new ATOM 0 HG23 VAL B 7 24.024 14.324 18.996 1.00 0.00 H new ATOM 1196 N LEU B 8 21.471 15.560 20.535 1.00 0.00 N ATOM 1197 CA LEU B 8 21.253 16.686 21.453 1.00 0.00 C ATOM 1198 C LEU B 8 22.517 17.022 22.273 1.00 0.00 C ATOM 1199 O LEU B 8 23.431 16.201 22.384 1.00 0.00 O ATOM 1200 CB LEU B 8 20.061 16.362 22.382 1.00 0.00 C ATOM 1201 CG LEU B 8 20.314 15.178 23.340 1.00 0.00 C ATOM 1202 CD1 LEU B 8 20.667 15.635 24.760 1.00 0.00 C ATOM 1203 CD2 LEU B 8 19.086 14.271 23.430 1.00 0.00 C ATOM 0 H LEU B 8 22.206 14.933 20.862 1.00 0.00 H new ATOM 0 HA LEU B 8 21.024 17.572 20.860 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.822 17.247 22.971 1.00 0.00 H new ATOM 0 HB3 LEU B 8 19.187 16.140 21.770 1.00 0.00 H new ATOM 0 HG LEU B 8 21.161 14.635 22.921 1.00 0.00 H new ATOM 0 HD11 LEU B 8 20.835 14.763 25.392 1.00 0.00 H new ATOM 0 HD12 LEU B 8 21.572 16.242 24.732 1.00 0.00 H new ATOM 0 HD13 LEU B 8 19.846 16.225 25.167 1.00 0.00 H new ATOM 0 HD21 LEU B 8 19.292 13.446 24.111 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.237 14.844 23.801 1.00 0.00 H new ATOM 0 HD23 LEU B 8 18.852 13.876 22.441 1.00 0.00 H new ATOM 1215 N THR B 9 22.533 18.208 22.886 1.00 0.00 N ATOM 1216 CA THR B 9 23.548 18.626 23.871 1.00 0.00 C ATOM 1217 C THR B 9 22.899 18.871 25.239 1.00 0.00 C ATOM 1218 O THR B 9 21.900 19.594 25.326 1.00 0.00 O ATOM 1219 CB THR B 9 24.306 19.889 23.416 1.00 0.00 C ATOM 1220 OG1 THR B 9 24.778 19.750 22.093 1.00 0.00 O ATOM 1221 CG2 THR B 9 25.532 20.157 24.292 1.00 0.00 C ATOM 0 H THR B 9 21.828 18.924 22.711 1.00 0.00 H new ATOM 0 HA THR B 9 24.271 17.814 23.954 1.00 0.00 H new ATOM 0 HB THR B 9 23.594 20.711 23.493 1.00 0.00 H new ATOM 0 HG1 THR B 9 25.253 20.565 21.828 1.00 0.00 H new ATOM 0 HG21 THR B 9 26.041 21.055 23.941 1.00 0.00 H new ATOM 0 HG22 THR B 9 25.217 20.299 25.326 1.00 0.00 H new ATOM 0 HG23 THR B 9 26.213 19.308 24.234 1.00 0.00 H new ATOM 1229 N LYS B 10 23.445 18.268 26.305 1.00 0.00 N ATOM 1230 CA LYS B 10 22.963 18.422 27.693 1.00 0.00 C ATOM 1231 C LYS B 10 23.330 19.779 28.308 1.00 0.00 C ATOM 1232 O LYS B 10 24.261 20.453 27.855 1.00 0.00 O ATOM 1233 CB LYS B 10 23.546 17.289 28.560 1.00 0.00 C ATOM 1234 CG LYS B 10 23.038 15.893 28.162 1.00 0.00 C ATOM 1235 CD LYS B 10 23.440 14.844 29.209 1.00 0.00 C ATOM 1236 CE LYS B 10 24.954 14.583 29.241 1.00 0.00 C ATOM 1237 NZ LYS B 10 25.361 13.930 30.515 1.00 0.00 N1+ ATOM 0 H LYS B 10 24.250 17.646 26.229 1.00 0.00 H new ATOM 0 HA LYS B 10 21.875 18.370 27.665 1.00 0.00 H new ATOM 0 HB2 LYS B 10 24.633 17.307 28.485 1.00 0.00 H new ATOM 0 HB3 LYS B 10 23.295 17.475 29.604 1.00 0.00 H new ATOM 0 HG2 LYS B 10 21.953 15.912 28.059 1.00 0.00 H new ATOM 0 HG3 LYS B 10 23.446 15.617 27.190 1.00 0.00 H new ATOM 0 HD2 LYS B 10 23.113 15.177 30.194 1.00 0.00 H new ATOM 0 HD3 LYS B 10 22.919 13.910 28.999 1.00 0.00 H new ATOM 0 HE2 LYS B 10 25.234 13.950 28.399 1.00 0.00 H new ATOM 0 HE3 LYS B 10 25.491 15.525 29.124 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 26.332 13.568 30.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 25.320 14.623 31.289 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 24.716 13.141 30.723 1.00 0.00 H new ATOM 1251 N ALA B 11 22.685 20.124 29.427 1.00 0.00 N ATOM 1252 CA ALA B 11 23.107 21.224 30.311 1.00 0.00 C ATOM 1253 C ALA B 11 24.517 21.004 30.919 1.00 0.00 C ATOM 1254 O ALA B 11 25.197 21.968 31.284 1.00 0.00 O ATOM 1255 CB ALA B 11 22.055 21.371 31.418 1.00 0.00 C ATOM 0 H ALA B 11 21.845 19.644 29.751 1.00 0.00 H new ATOM 0 HA ALA B 11 23.180 22.137 29.720 1.00 0.00 H new ATOM 0 HB1 ALA B 11 22.343 22.181 32.089 1.00 0.00 H new ATOM 0 HB2 ALA B 11 21.086 21.597 30.972 1.00 0.00 H new ATOM 0 HB3 ALA B 11 21.987 20.440 31.981 1.00 0.00 H new ATOM 1261 N ASP B 12 25.003 19.754 30.962 1.00 0.00 N ATOM 1262 CA ASP B 12 26.386 19.380 31.314 1.00 0.00 C ATOM 1263 C ASP B 12 27.430 19.805 30.249 1.00 0.00 C ATOM 1264 O ASP B 12 28.638 19.722 30.495 1.00 0.00 O ATOM 1265 CB ASP B 12 26.475 17.854 31.495 1.00 0.00 C ATOM 1266 CG ASP B 12 25.526 17.248 32.542 1.00 0.00 C ATOM 1267 OD1 ASP B 12 25.186 16.048 32.385 1.00 0.00 O ATOM 1268 OD2 ASP B 12 25.133 17.932 33.521 1.00 0.00 O1- ATOM 0 H ASP B 12 24.423 18.943 30.745 1.00 0.00 H new ATOM 0 HA ASP B 12 26.622 19.910 32.237 1.00 0.00 H new ATOM 0 HB2 ASP B 12 26.275 17.381 30.534 1.00 0.00 H new ATOM 0 HB3 ASP B 12 27.499 17.599 31.769 1.00 0.00 H new ATOM 1273 N GLY B 13 26.986 20.243 29.061 1.00 0.00 N ATOM 1274 CA GLY B 13 27.821 20.539 27.892 1.00 0.00 C ATOM 1275 C GLY B 13 28.220 19.310 27.059 1.00 0.00 C ATOM 1276 O GLY B 13 28.747 19.464 25.952 1.00 0.00 O ATOM 0 H GLY B 13 25.995 20.407 28.884 1.00 0.00 H new ATOM 0 HA2 GLY B 13 27.287 21.239 27.249 1.00 0.00 H new ATOM 0 HA3 GLY B 13 28.727 21.043 28.228 1.00 0.00 H new ATOM 1280 N GLY B 14 27.965 18.090 27.551 1.00 0.00 N ATOM 1281 CA GLY B 14 28.210 16.836 26.832 1.00 0.00 C ATOM 1282 C GLY B 14 27.094 16.511 25.834 1.00 0.00 C ATOM 1283 O GLY B 14 25.915 16.760 26.114 1.00 0.00 O ATOM 0 H GLY B 14 27.574 17.946 28.482 1.00 0.00 H new ATOM 0 HA2 GLY B 14 29.160 16.903 26.302 1.00 0.00 H new ATOM 0 HA3 GLY B 14 28.302 16.020 27.549 1.00 0.00 H new ATOM 1287 N ARG B 15 27.445 15.950 24.673 1.00 0.00 N ATOM 1288 CA ARG B 15 26.492 15.507 23.643 1.00 0.00 C ATOM 1289 C ARG B 15 26.001 14.076 23.880 1.00 0.00 C ATOM 1290 O ARG B 15 26.716 13.253 24.448 1.00 0.00 O ATOM 1291 CB ARG B 15 27.097 15.679 22.239 1.00 0.00 C ATOM 1292 CG ARG B 15 27.300 17.163 21.905 1.00 0.00 C ATOM 1293 CD ARG B 15 27.702 17.390 20.443 1.00 0.00 C ATOM 1294 NE ARG B 15 28.998 16.759 20.110 1.00 0.00 N ATOM 1295 CZ ARG B 15 30.202 17.258 20.307 1.00 0.00 C ATOM 1296 NH1 ARG B 15 30.402 18.424 20.862 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 31.259 16.588 19.947 1.00 0.00 N ATOM 0 H ARG B 15 28.418 15.787 24.415 1.00 0.00 H new ATOM 0 HA ARG B 15 25.611 16.145 23.714 1.00 0.00 H new ATOM 0 HB2 ARG B 15 28.052 15.156 22.184 1.00 0.00 H new ATOM 0 HB3 ARG B 15 26.441 15.222 21.498 1.00 0.00 H new ATOM 0 HG2 ARG B 15 26.379 17.707 22.113 1.00 0.00 H new ATOM 0 HG3 ARG B 15 28.069 17.576 22.558 1.00 0.00 H new ATOM 0 HD2 ARG B 15 26.927 16.989 19.790 1.00 0.00 H new ATOM 0 HD3 ARG B 15 27.761 18.461 20.247 1.00 0.00 H new ATOM 0 HE ARG B 15 28.955 15.835 19.680 1.00 0.00 H new ATOM 0 HH11 ARG B 15 29.608 18.989 21.163 1.00 0.00 H new ATOM 0 HH12 ARG B 15 31.353 18.770 20.994 1.00 0.00 H new ATOM 0 HH21 ARG B 15 31.158 15.672 19.510 1.00 0.00 H new ATOM 0 HH22 ARG B 15 32.188 16.979 20.102 1.00 0.00 H new ATOM 1311 N VAL B 16 24.786 13.793 23.411 1.00 0.00 N ATOM 1312 CA VAL B 16 24.124 12.478 23.462 1.00 0.00 C ATOM 1313 C VAL B 16 23.540 12.147 22.083 1.00 0.00 C ATOM 1314 O VAL B 16 22.984 13.018 21.410 1.00 0.00 O ATOM 1315 CB VAL B 16 23.046 12.447 24.570 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.239 11.141 24.588 1.00 0.00 C ATOM 1317 CG2 VAL B 16 23.661 12.630 25.964 1.00 0.00 C ATOM 0 H VAL B 16 24.205 14.502 22.964 1.00 0.00 H new ATOM 0 HA VAL B 16 24.857 11.712 23.715 1.00 0.00 H new ATOM 0 HB VAL B 16 22.379 13.276 24.333 1.00 0.00 H new ATOM 0 HG11 VAL B 16 21.499 11.181 25.387 1.00 0.00 H new ATOM 0 HG12 VAL B 16 21.733 11.013 23.631 1.00 0.00 H new ATOM 0 HG13 VAL B 16 22.911 10.300 24.758 1.00 0.00 H new ATOM 0 HG21 VAL B 16 22.872 12.603 26.716 1.00 0.00 H new ATOM 0 HG22 VAL B 16 24.373 11.827 26.156 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.175 13.590 26.012 1.00 0.00 H new ATOM 1327 N GLU B 17 23.673 10.889 21.663 1.00 0.00 N ATOM 1328 CA GLU B 17 23.212 10.374 20.365 1.00 0.00 C ATOM 1329 C GLU B 17 22.467 9.036 20.525 1.00 0.00 C ATOM 1330 O GLU B 17 22.855 8.194 21.343 1.00 0.00 O ATOM 1331 CB GLU B 17 24.387 10.206 19.380 1.00 0.00 C ATOM 1332 CG GLU B 17 25.101 11.527 19.047 1.00 0.00 C ATOM 1333 CD GLU B 17 26.254 11.323 18.048 1.00 0.00 C ATOM 1334 OE1 GLU B 17 26.023 10.761 16.950 1.00 0.00 O ATOM 1335 OE2 GLU B 17 27.406 11.733 18.345 1.00 0.00 O1- ATOM 0 H GLU B 17 24.120 10.172 22.234 1.00 0.00 H new ATOM 0 HA GLU B 17 22.519 11.110 19.957 1.00 0.00 H new ATOM 0 HB2 GLU B 17 25.109 9.508 19.804 1.00 0.00 H new ATOM 0 HB3 GLU B 17 24.016 9.760 18.457 1.00 0.00 H new ATOM 0 HG2 GLU B 17 24.382 12.233 18.632 1.00 0.00 H new ATOM 0 HG3 GLU B 17 25.490 11.970 19.964 1.00 0.00 H new ATOM 1342 N ILE B 18 21.413 8.826 19.729 1.00 0.00 N ATOM 1343 CA ILE B 18 20.585 7.604 19.714 1.00 0.00 C ATOM 1344 C ILE B 18 20.425 7.122 18.266 1.00 0.00 C ATOM 1345 O ILE B 18 19.801 7.805 17.451 1.00 0.00 O ATOM 1346 CB ILE B 18 19.209 7.860 20.379 1.00 0.00 C ATOM 1347 CG1 ILE B 18 19.352 8.180 21.888 1.00 0.00 C ATOM 1348 CG2 ILE B 18 18.254 6.662 20.209 1.00 0.00 C ATOM 1349 CD1 ILE B 18 18.183 9.015 22.417 1.00 0.00 C ATOM 0 H ILE B 18 21.098 9.522 19.053 1.00 0.00 H new ATOM 0 HA ILE B 18 21.080 6.825 20.293 1.00 0.00 H new ATOM 0 HB ILE B 18 18.785 8.725 19.868 1.00 0.00 H new ATOM 0 HG12 ILE B 18 19.414 7.248 22.451 1.00 0.00 H new ATOM 0 HG13 ILE B 18 20.285 8.717 22.057 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.302 6.885 20.690 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.090 6.476 19.148 1.00 0.00 H new ATOM 0 HG23 ILE B 18 18.695 5.777 20.669 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.329 9.213 23.479 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.136 9.959 21.875 1.00 0.00 H new ATOM 0 HD13 ILE B 18 17.251 8.468 22.275 1.00 0.00 H new ATOM 1361 N GLY B 19 20.980 5.954 17.943 1.00 0.00 N ATOM 1362 CA GLY B 19 20.863 5.333 16.616 1.00 0.00 C ATOM 1363 C GLY B 19 19.606 4.472 16.437 1.00 0.00 C ATOM 1364 O GLY B 19 19.022 3.993 17.413 1.00 0.00 O ATOM 0 H GLY B 19 21.531 5.403 18.601 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.865 6.117 15.858 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.743 4.715 16.437 1.00 0.00 H new ATOM 1368 N ASP B 20 19.213 4.257 15.182 1.00 0.00 N ATOM 1369 CA ASP B 20 18.154 3.329 14.743 1.00 0.00 C ATOM 1370 C ASP B 20 16.785 3.545 15.435 1.00 0.00 C ATOM 1371 O ASP B 20 16.116 2.603 15.885 1.00 0.00 O ATOM 1372 CB ASP B 20 18.656 1.872 14.774 1.00 0.00 C ATOM 1373 CG ASP B 20 19.919 1.608 13.937 1.00 0.00 C ATOM 1374 OD1 ASP B 20 20.206 2.362 12.971 1.00 0.00 O ATOM 1375 OD2 ASP B 20 20.622 0.607 14.223 1.00 0.00 O1- ATOM 0 H ASP B 20 19.643 4.748 14.398 1.00 0.00 H new ATOM 0 HA ASP B 20 17.936 3.569 13.702 1.00 0.00 H new ATOM 0 HB2 ASP B 20 18.858 1.594 15.808 1.00 0.00 H new ATOM 0 HB3 ASP B 20 17.858 1.220 14.418 1.00 0.00 H new ATOM 1380 N VAL B 21 16.369 4.813 15.548 1.00 0.00 N ATOM 1381 CA VAL B 21 15.122 5.224 16.220 1.00 0.00 C ATOM 1382 C VAL B 21 13.872 4.922 15.378 1.00 0.00 C ATOM 1383 O VAL B 21 13.860 5.138 14.163 1.00 0.00 O ATOM 1384 CB VAL B 21 15.208 6.697 16.665 1.00 0.00 C ATOM 1385 CG1 VAL B 21 15.278 7.715 15.523 1.00 0.00 C ATOM 1386 CG2 VAL B 21 14.032 7.092 17.554 1.00 0.00 C ATOM 0 H VAL B 21 16.897 5.599 15.169 1.00 0.00 H new ATOM 0 HA VAL B 21 15.011 4.619 17.120 1.00 0.00 H new ATOM 0 HB VAL B 21 16.151 6.736 17.211 1.00 0.00 H new ATOM 0 HG11 VAL B 21 15.336 8.722 15.936 1.00 0.00 H new ATOM 0 HG12 VAL B 21 16.162 7.520 14.916 1.00 0.00 H new ATOM 0 HG13 VAL B 21 14.386 7.628 14.903 1.00 0.00 H new ATOM 0 HG21 VAL B 21 14.131 8.138 17.845 1.00 0.00 H new ATOM 0 HG22 VAL B 21 13.100 6.955 17.006 1.00 0.00 H new ATOM 0 HG23 VAL B 21 14.024 6.466 18.446 1.00 0.00 H new ATOM 1396 N LEU B 22 12.800 4.430 16.014 1.00 0.00 N ATOM 1397 CA LEU B 22 11.493 4.189 15.374 1.00 0.00 C ATOM 1398 C LEU B 22 10.551 5.393 15.480 1.00 0.00 C ATOM 1399 O LEU B 22 9.810 5.678 14.540 1.00 0.00 O ATOM 1400 CB LEU B 22 10.808 2.967 16.012 1.00 0.00 C ATOM 1401 CG LEU B 22 11.508 1.610 15.804 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.665 0.518 16.469 1.00 0.00 C ATOM 1403 CD2 LEU B 22 11.679 1.240 14.330 1.00 0.00 C ATOM 0 H LEU B 22 12.814 4.183 17.004 1.00 0.00 H new ATOM 0 HA LEU B 22 11.693 4.010 14.318 1.00 0.00 H new ATOM 0 HB2 LEU B 22 10.718 3.145 17.084 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.796 2.895 15.614 1.00 0.00 H new ATOM 0 HG LEU B 22 12.502 1.693 16.243 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.148 -0.449 16.330 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.573 0.728 17.535 1.00 0.00 H new ATOM 0 HD13 LEU B 22 9.674 0.497 16.016 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.178 0.274 14.253 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.700 1.182 13.854 1.00 0.00 H new ATOM 0 HD23 LEU B 22 12.280 2.000 13.831 1.00 0.00 H new ATOM 1415 N GLU B 23 10.563 6.101 16.613 1.00 0.00 N ATOM 1416 CA GLU B 23 9.675 7.238 16.877 1.00 0.00 C ATOM 1417 C GLU B 23 10.293 8.255 17.856 1.00 0.00 C ATOM 1418 O GLU B 23 10.976 7.871 18.810 1.00 0.00 O ATOM 1419 CB GLU B 23 8.325 6.717 17.397 1.00 0.00 C ATOM 1420 CG GLU B 23 7.330 7.849 17.679 1.00 0.00 C ATOM 1421 CD GLU B 23 5.904 7.369 17.959 1.00 0.00 C ATOM 1422 OE1 GLU B 23 4.968 8.195 17.856 1.00 0.00 O ATOM 1423 OE2 GLU B 23 5.658 6.203 18.341 1.00 0.00 O1- ATOM 0 H GLU B 23 11.199 5.898 17.384 1.00 0.00 H new ATOM 0 HA GLU B 23 9.523 7.774 15.940 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.896 6.034 16.664 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.487 6.144 18.310 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.683 8.425 18.535 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.313 8.526 16.825 1.00 0.00 H new ATOM 1430 N VAL B 24 10.001 9.544 17.642 1.00 0.00 N ATOM 1431 CA VAL B 24 10.353 10.663 18.525 1.00 0.00 C ATOM 1432 C VAL B 24 9.148 11.603 18.683 1.00 0.00 C ATOM 1433 O VAL B 24 8.431 11.872 17.713 1.00 0.00 O ATOM 1434 CB VAL B 24 11.582 11.440 18.004 1.00 0.00 C ATOM 1435 CG1 VAL B 24 12.147 12.404 19.059 1.00 0.00 C ATOM 1436 CG2 VAL B 24 12.719 10.555 17.490 1.00 0.00 C ATOM 0 H VAL B 24 9.491 9.849 16.813 1.00 0.00 H new ATOM 0 HA VAL B 24 10.619 10.252 19.499 1.00 0.00 H new ATOM 0 HB VAL B 24 11.193 12.001 17.154 1.00 0.00 H new ATOM 0 HG11 VAL B 24 13.010 12.928 18.648 1.00 0.00 H new ATOM 0 HG12 VAL B 24 11.381 13.128 19.337 1.00 0.00 H new ATOM 0 HG13 VAL B 24 12.451 11.840 19.941 1.00 0.00 H new ATOM 0 HG21 VAL B 24 13.540 11.182 17.144 1.00 0.00 H new ATOM 0 HG22 VAL B 24 13.070 9.909 18.295 1.00 0.00 H new ATOM 0 HG23 VAL B 24 12.358 9.942 16.664 1.00 0.00 H new ATOM 1446 N ARG B 25 8.917 12.121 19.894 1.00 0.00 N ATOM 1447 CA ARG B 25 7.814 13.038 20.241 1.00 0.00 C ATOM 1448 C ARG B 25 8.312 14.196 21.103 1.00 0.00 C ATOM 1449 O ARG B 25 9.058 13.972 22.056 1.00 0.00 O ATOM 1450 CB ARG B 25 6.702 12.288 21.007 1.00 0.00 C ATOM 1451 CG ARG B 25 6.127 11.070 20.269 1.00 0.00 C ATOM 1452 CD ARG B 25 5.009 10.407 21.085 1.00 0.00 C ATOM 1453 NE ARG B 25 4.578 9.134 20.478 1.00 0.00 N ATOM 1454 CZ ARG B 25 3.899 8.159 21.054 1.00 0.00 C ATOM 1455 NH1 ARG B 25 3.346 8.301 22.228 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 3.776 7.009 20.453 1.00 0.00 N ATOM 0 H ARG B 25 9.513 11.908 20.694 1.00 0.00 H new ATOM 0 HA ARG B 25 7.414 13.433 19.307 1.00 0.00 H new ATOM 0 HB2 ARG B 25 7.099 11.960 21.968 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.891 12.985 21.218 1.00 0.00 H new ATOM 0 HG2 ARG B 25 5.739 11.379 19.298 1.00 0.00 H new ATOM 0 HG3 ARG B 25 6.921 10.347 20.080 1.00 0.00 H new ATOM 0 HD2 ARG B 25 5.358 10.227 22.102 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.158 11.084 21.155 1.00 0.00 H new ATOM 0 HE ARG B 25 4.834 8.990 19.501 1.00 0.00 H new ATOM 0 HH11 ARG B 25 3.432 9.186 22.729 1.00 0.00 H new ATOM 0 HH12 ARG B 25 2.828 7.527 22.645 1.00 0.00 H new ATOM 0 HH21 ARG B 25 4.204 6.863 19.539 1.00 0.00 H new ATOM 0 HH22 ARG B 25 3.252 6.255 20.897 1.00 0.00 H new ATOM 1470 N ALA B 26 7.870 15.420 20.811 1.00 0.00 N ATOM 1471 CA ALA B 26 7.916 16.541 21.755 1.00 0.00 C ATOM 1472 C ALA B 26 6.610 16.539 22.577 1.00 0.00 C ATOM 1473 O ALA B 26 5.513 16.582 22.016 1.00 0.00 O ATOM 1474 CB ALA B 26 8.122 17.846 20.978 1.00 0.00 C ATOM 0 H ALA B 26 7.467 15.665 19.907 1.00 0.00 H new ATOM 0 HA ALA B 26 8.751 16.445 22.449 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.157 18.683 21.675 1.00 0.00 H new ATOM 0 HB2 ALA B 26 9.060 17.796 20.424 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.296 17.989 20.281 1.00 0.00 H new ATOM 1480 N GLU B 27 6.711 16.445 23.904 1.00 0.00 N ATOM 1481 CA GLU B 27 5.574 16.181 24.797 1.00 0.00 C ATOM 1482 C GLU B 27 5.842 16.687 26.227 1.00 0.00 C ATOM 1483 O GLU B 27 6.868 16.359 26.825 1.00 0.00 O ATOM 1484 CB GLU B 27 5.283 14.666 24.784 1.00 0.00 C ATOM 1485 CG GLU B 27 3.975 14.314 25.504 1.00 0.00 C ATOM 1486 CD GLU B 27 3.698 12.802 25.498 1.00 0.00 C ATOM 1487 OE1 GLU B 27 4.577 12.014 25.933 1.00 0.00 O ATOM 1488 OE2 GLU B 27 2.585 12.386 25.090 1.00 0.00 O1- ATOM 0 H GLU B 27 7.597 16.551 24.399 1.00 0.00 H new ATOM 0 HA GLU B 27 4.701 16.726 24.438 1.00 0.00 H new ATOM 0 HB2 GLU B 27 5.231 14.318 23.752 1.00 0.00 H new ATOM 0 HB3 GLU B 27 6.109 14.136 25.258 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.022 14.669 26.533 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.147 14.835 25.025 1.00 0.00 H new ATOM 1495 N GLY B 28 4.920 17.480 26.794 1.00 0.00 N ATOM 1496 CA GLY B 28 4.951 17.887 28.211 1.00 0.00 C ATOM 1497 C GLY B 28 6.164 18.734 28.632 1.00 0.00 C ATOM 1498 O GLY B 28 6.579 18.672 29.792 1.00 0.00 O ATOM 0 H GLY B 28 4.125 17.861 26.280 1.00 0.00 H new ATOM 0 HA2 GLY B 28 4.044 18.450 28.429 1.00 0.00 H new ATOM 0 HA3 GLY B 28 4.925 16.990 28.829 1.00 0.00 H new ATOM 1502 N GLY B 29 6.774 19.491 27.708 1.00 0.00 N ATOM 1503 CA GLY B 29 8.021 20.240 27.945 1.00 0.00 C ATOM 1504 C GLY B 29 9.297 19.383 27.899 1.00 0.00 C ATOM 1505 O GLY B 29 10.330 19.779 28.445 1.00 0.00 O ATOM 0 H GLY B 29 6.411 19.603 26.761 1.00 0.00 H new ATOM 0 HA2 GLY B 29 8.102 21.031 27.199 1.00 0.00 H new ATOM 0 HA3 GLY B 29 7.959 20.725 28.919 1.00 0.00 H new ATOM 1509 N ALA B 30 9.236 18.205 27.278 1.00 0.00 N ATOM 1510 CA ALA B 30 10.338 17.262 27.099 1.00 0.00 C ATOM 1511 C ALA B 30 10.333 16.664 25.677 1.00 0.00 C ATOM 1512 O ALA B 30 9.333 16.750 24.959 1.00 0.00 O ATOM 1513 CB ALA B 30 10.194 16.152 28.159 1.00 0.00 C ATOM 0 H ALA B 30 8.368 17.865 26.864 1.00 0.00 H new ATOM 0 HA ALA B 30 11.289 17.779 27.224 1.00 0.00 H new ATOM 0 HB1 ALA B 30 11.006 15.434 28.046 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.235 16.593 29.155 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.239 15.644 28.026 1.00 0.00 H new ATOM 1519 N VAL B 31 11.431 16.003 25.295 1.00 0.00 N ATOM 1520 CA VAL B 31 11.457 15.071 24.150 1.00 0.00 C ATOM 1521 C VAL B 31 11.543 13.625 24.641 1.00 0.00 C ATOM 1522 O VAL B 31 12.292 13.326 25.575 1.00 0.00 O ATOM 1523 CB VAL B 31 12.560 15.428 23.142 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.701 14.384 22.028 1.00 0.00 C ATOM 1525 CG2 VAL B 31 12.224 16.759 22.460 1.00 0.00 C ATOM 0 H VAL B 31 12.330 16.095 25.768 1.00 0.00 H new ATOM 0 HA VAL B 31 10.519 15.172 23.604 1.00 0.00 H new ATOM 0 HB VAL B 31 13.490 15.477 23.709 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.494 14.686 21.344 1.00 0.00 H new ATOM 0 HG12 VAL B 31 12.948 13.417 22.465 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.761 14.306 21.481 1.00 0.00 H new ATOM 0 HG21 VAL B 31 13.008 17.010 21.746 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.272 16.670 21.937 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.153 17.545 23.212 1.00 0.00 H new ATOM 1535 N ARG B 32 10.785 12.726 24.003 1.00 0.00 N ATOM 1536 CA ARG B 32 10.697 11.286 24.307 1.00 0.00 C ATOM 1537 C ARG B 32 10.881 10.478 23.021 1.00 0.00 C ATOM 1538 O ARG B 32 10.386 10.878 21.964 1.00 0.00 O ATOM 1539 CB ARG B 32 9.350 10.990 24.992 1.00 0.00 C ATOM 1540 CG ARG B 32 9.289 11.584 26.412 1.00 0.00 C ATOM 1541 CD ARG B 32 7.873 11.550 26.993 1.00 0.00 C ATOM 1542 NE ARG B 32 7.837 12.161 28.333 1.00 0.00 N ATOM 1543 CZ ARG B 32 6.782 12.617 28.981 1.00 0.00 C ATOM 1544 NH1 ARG B 32 5.581 12.606 28.483 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 6.919 13.112 30.179 1.00 0.00 N ATOM 0 H ARG B 32 10.185 12.992 23.222 1.00 0.00 H new ATOM 0 HA ARG B 32 11.491 10.993 24.995 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.538 11.400 24.391 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.196 9.912 25.042 1.00 0.00 H new ATOM 0 HG2 ARG B 32 9.961 11.028 27.066 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.646 12.614 26.389 1.00 0.00 H new ATOM 0 HD2 ARG B 32 7.191 12.081 26.329 1.00 0.00 H new ATOM 0 HD3 ARG B 32 7.524 10.519 27.050 1.00 0.00 H new ATOM 0 HE ARG B 32 8.732 12.241 28.816 1.00 0.00 H new ATOM 0 HH11 ARG B 32 5.420 12.232 27.548 1.00 0.00 H new ATOM 0 HH12 ARG B 32 4.800 12.971 29.028 1.00 0.00 H new ATOM 0 HH21 ARG B 32 7.841 13.146 30.614 1.00 0.00 H new ATOM 0 HH22 ARG B 32 6.104 13.465 30.681 1.00 0.00 H new ATOM 1559 N VAL B 33 11.630 9.376 23.087 1.00 0.00 N ATOM 1560 CA VAL B 33 12.107 8.627 21.903 1.00 0.00 C ATOM 1561 C VAL B 33 12.189 7.122 22.168 1.00 0.00 C ATOM 1562 O VAL B 33 12.497 6.703 23.286 1.00 0.00 O ATOM 1563 CB VAL B 33 13.421 9.229 21.318 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.060 10.381 22.114 1.00 0.00 C ATOM 1565 CG2 VAL B 33 14.539 8.235 21.000 1.00 0.00 C ATOM 0 H VAL B 33 11.931 8.966 23.971 1.00 0.00 H new ATOM 0 HA VAL B 33 11.357 8.746 21.121 1.00 0.00 H new ATOM 0 HB VAL B 33 13.009 9.620 20.388 1.00 0.00 H new ATOM 0 HG11 VAL B 33 14.966 10.714 21.608 1.00 0.00 H new ATOM 0 HG12 VAL B 33 13.356 11.211 22.182 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.311 10.035 23.117 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.400 8.771 20.600 1.00 0.00 H new ATOM 0 HG22 VAL B 33 14.829 7.711 21.910 1.00 0.00 H new ATOM 0 HG23 VAL B 33 14.186 7.514 20.263 1.00 0.00 H new ATOM 1575 N THR B 34 11.914 6.303 21.141 1.00 0.00 N ATOM 1576 CA THR B 34 11.890 4.824 21.222 1.00 0.00 C ATOM 1577 C THR B 34 12.680 4.150 20.091 1.00 0.00 C ATOM 1578 O THR B 34 12.431 4.418 18.911 1.00 0.00 O ATOM 1579 CB THR B 34 10.441 4.296 21.229 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.691 4.897 22.269 1.00 0.00 O ATOM 1581 CG2 THR B 34 10.370 2.783 21.456 1.00 0.00 C ATOM 0 H THR B 34 11.697 6.653 20.208 1.00 0.00 H new ATOM 0 HA THR B 34 12.378 4.565 22.161 1.00 0.00 H new ATOM 0 HB THR B 34 10.035 4.543 20.248 1.00 0.00 H new ATOM 0 HG1 THR B 34 8.775 4.550 22.254 1.00 0.00 H new ATOM 0 HG21 THR B 34 9.328 2.463 21.452 1.00 0.00 H new ATOM 0 HG22 THR B 34 10.910 2.270 20.660 1.00 0.00 H new ATOM 0 HG23 THR B 34 10.821 2.538 22.417 1.00 0.00 H new ATOM 1589 N THR B 35 13.622 3.263 20.435 1.00 0.00 N ATOM 1590 CA THR B 35 14.463 2.499 19.478 1.00 0.00 C ATOM 1591 C THR B 35 13.823 1.184 19.009 1.00 0.00 C ATOM 1592 O THR B 35 12.833 0.714 19.579 1.00 0.00 O ATOM 1593 CB THR B 35 15.850 2.189 20.069 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.741 1.243 21.108 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.583 3.427 20.589 1.00 0.00 C ATOM 0 H THR B 35 13.833 3.044 21.409 1.00 0.00 H new ATOM 0 HA THR B 35 14.561 3.151 18.610 1.00 0.00 H new ATOM 0 HB THR B 35 16.442 1.787 19.247 1.00 0.00 H new ATOM 0 HG1 THR B 35 16.631 1.054 21.473 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.553 3.134 20.991 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.728 4.134 19.772 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.992 3.897 21.375 1.00 0.00 H new ATOM 1603 N LEU B 36 14.428 0.540 18.002 1.00 0.00 N ATOM 1604 CA LEU B 36 14.051 -0.795 17.522 1.00 0.00 C ATOM 1605 C LEU B 36 14.193 -1.938 18.554 1.00 0.00 C ATOM 1606 O LEU B 36 13.617 -3.010 18.357 1.00 0.00 O ATOM 1607 CB LEU B 36 14.814 -1.104 16.212 1.00 0.00 C ATOM 1608 CG LEU B 36 16.247 -1.666 16.358 1.00 0.00 C ATOM 1609 CD1 LEU B 36 16.826 -1.965 14.974 1.00 0.00 C ATOM 1610 CD2 LEU B 36 17.197 -0.702 17.065 1.00 0.00 C ATOM 0 H LEU B 36 15.211 0.943 17.487 1.00 0.00 H new ATOM 0 HA LEU B 36 12.978 -0.758 17.334 1.00 0.00 H new ATOM 0 HB2 LEU B 36 14.226 -1.818 15.636 1.00 0.00 H new ATOM 0 HB3 LEU B 36 14.866 -0.187 15.625 1.00 0.00 H new ATOM 0 HG LEU B 36 16.164 -2.569 16.963 1.00 0.00 H new ATOM 0 HD11 LEU B 36 17.836 -2.361 15.080 1.00 0.00 H new ATOM 0 HD12 LEU B 36 16.199 -2.700 14.468 1.00 0.00 H new ATOM 0 HD13 LEU B 36 16.856 -1.048 14.386 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.186 -1.154 17.137 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.262 0.226 16.498 1.00 0.00 H new ATOM 0 HD23 LEU B 36 16.821 -0.490 18.066 1.00 0.00 H new ATOM 1622 N PHE B 37 14.920 -1.717 19.659 1.00 0.00 N ATOM 1623 CA PHE B 37 15.046 -2.657 20.781 1.00 0.00 C ATOM 1624 C PHE B 37 13.926 -2.498 21.837 1.00 0.00 C ATOM 1625 O PHE B 37 13.970 -3.136 22.887 1.00 0.00 O ATOM 1626 CB PHE B 37 16.445 -2.492 21.415 1.00 0.00 C ATOM 1627 CG PHE B 37 17.612 -2.634 20.453 1.00 0.00 C ATOM 1628 CD1 PHE B 37 18.564 -1.607 20.331 1.00 0.00 C ATOM 1629 CD2 PHE B 37 17.759 -3.806 19.685 1.00 0.00 C ATOM 1630 CE1 PHE B 37 19.657 -1.751 19.460 1.00 0.00 C ATOM 1631 CE2 PHE B 37 18.851 -3.953 18.804 1.00 0.00 C ATOM 1632 CZ PHE B 37 19.799 -2.922 18.691 1.00 0.00 C ATOM 0 H PHE B 37 15.450 -0.857 19.800 1.00 0.00 H new ATOM 0 HA PHE B 37 14.932 -3.668 20.389 1.00 0.00 H new ATOM 0 HB2 PHE B 37 16.500 -1.510 21.885 1.00 0.00 H new ATOM 0 HB3 PHE B 37 16.556 -3.232 22.208 1.00 0.00 H new ATOM 0 HD1 PHE B 37 18.455 -0.702 20.910 1.00 0.00 H new ATOM 0 HD2 PHE B 37 17.030 -4.598 19.771 1.00 0.00 H new ATOM 0 HE1 PHE B 37 20.390 -0.962 19.380 1.00 0.00 H new ATOM 0 HE2 PHE B 37 18.958 -4.854 18.219 1.00 0.00 H new ATOM 0 HZ PHE B 37 20.635 -3.028 18.016 1.00 0.00 H new ATOM 1642 N ASP B 38 12.952 -1.615 21.588 1.00 0.00 N ATOM 1643 CA ASP B 38 11.936 -1.128 22.541 1.00 0.00 C ATOM 1644 C ASP B 38 12.518 -0.364 23.753 1.00 0.00 C ATOM 1645 O ASP B 38 11.811 -0.104 24.733 1.00 0.00 O ATOM 1646 CB ASP B 38 10.930 -2.229 22.945 1.00 0.00 C ATOM 1647 CG ASP B 38 10.298 -2.995 21.772 1.00 0.00 C ATOM 1648 OD1 ASP B 38 10.063 -2.401 20.689 1.00 0.00 O ATOM 1649 OD2 ASP B 38 9.977 -4.199 21.944 1.00 0.00 O1- ATOM 0 H ASP B 38 12.842 -1.195 20.665 1.00 0.00 H new ATOM 0 HA ASP B 38 11.369 -0.376 21.993 1.00 0.00 H new ATOM 0 HB2 ASP B 38 11.437 -2.943 23.594 1.00 0.00 H new ATOM 0 HB3 ASP B 38 10.133 -1.774 23.533 1.00 0.00 H new ATOM 1654 N GLU B 39 13.801 0.014 23.703 1.00 0.00 N ATOM 1655 CA GLU B 39 14.427 0.888 24.703 1.00 0.00 C ATOM 1656 C GLU B 39 13.936 2.338 24.534 1.00 0.00 C ATOM 1657 O GLU B 39 14.000 2.904 23.435 1.00 0.00 O ATOM 1658 CB GLU B 39 15.961 0.783 24.622 1.00 0.00 C ATOM 1659 CG GLU B 39 16.649 1.578 25.746 1.00 0.00 C ATOM 1660 CD GLU B 39 18.185 1.434 25.701 1.00 0.00 C ATOM 1661 OE1 GLU B 39 18.808 1.766 24.663 1.00 0.00 O ATOM 1662 OE2 GLU B 39 18.789 1.029 26.727 1.00 0.00 O1- ATOM 0 H GLU B 39 14.438 -0.280 22.963 1.00 0.00 H new ATOM 0 HA GLU B 39 14.130 0.560 25.699 1.00 0.00 H new ATOM 0 HB2 GLU B 39 16.257 -0.264 24.684 1.00 0.00 H new ATOM 0 HB3 GLU B 39 16.300 1.154 23.655 1.00 0.00 H new ATOM 0 HG2 GLU B 39 16.381 2.631 25.661 1.00 0.00 H new ATOM 0 HG3 GLU B 39 16.281 1.232 26.712 1.00 0.00 H new ATOM 1669 N GLU B 40 13.447 2.933 25.620 1.00 0.00 N ATOM 1670 CA GLU B 40 12.941 4.311 25.669 1.00 0.00 C ATOM 1671 C GLU B 40 13.974 5.291 26.248 1.00 0.00 C ATOM 1672 O GLU B 40 14.762 4.944 27.132 1.00 0.00 O ATOM 1673 CB GLU B 40 11.643 4.374 26.491 1.00 0.00 C ATOM 1674 CG GLU B 40 10.478 3.623 25.825 1.00 0.00 C ATOM 1675 CD GLU B 40 9.215 3.569 26.713 1.00 0.00 C ATOM 1676 OE1 GLU B 40 9.016 4.459 27.578 1.00 0.00 O ATOM 1677 OE2 GLU B 40 8.393 2.634 26.550 1.00 0.00 O1- ATOM 0 H GLU B 40 13.388 2.458 26.521 1.00 0.00 H new ATOM 0 HA GLU B 40 12.739 4.615 24.642 1.00 0.00 H new ATOM 0 HB2 GLU B 40 11.824 3.952 27.479 1.00 0.00 H new ATOM 0 HB3 GLU B 40 11.361 5.417 26.637 1.00 0.00 H new ATOM 0 HG2 GLU B 40 10.232 4.108 24.880 1.00 0.00 H new ATOM 0 HG3 GLU B 40 10.794 2.607 25.589 1.00 0.00 H new ATOM 1684 N HIS B 41 13.921 6.541 25.781 1.00 0.00 N ATOM 1685 CA HIS B 41 14.773 7.660 26.205 1.00 0.00 C ATOM 1686 C HIS B 41 13.936 8.926 26.427 1.00 0.00 C ATOM 1687 O HIS B 41 12.945 9.136 25.723 1.00 0.00 O ATOM 1688 CB HIS B 41 15.862 7.908 25.147 1.00 0.00 C ATOM 1689 CG HIS B 41 16.750 6.716 24.869 1.00 0.00 C ATOM 1690 ND1 HIS B 41 17.877 6.355 25.615 1.00 0.00 N ATOM 1691 CD2 HIS B 41 16.559 5.788 23.886 1.00 0.00 C ATOM 1692 CE1 HIS B 41 18.345 5.224 25.054 1.00 0.00 C ATOM 1693 NE2 HIS B 41 17.578 4.866 24.012 1.00 0.00 N ATOM 0 H HIS B 41 13.251 6.816 25.062 1.00 0.00 H new ATOM 0 HA HIS B 41 15.249 7.404 27.152 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.384 8.213 24.216 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.485 8.741 25.474 1.00 0.00 H new ATOM 0 HD2 HIS B 41 15.766 5.778 23.153 1.00 0.00 H new ATOM 0 HE1 HIS B 41 19.215 4.681 25.394 1.00 0.00 H new ATOM 0 HE2 HIS B 41 17.724 4.052 23.415 1.00 0.00 H new ATOM 1701 N ALA B 42 14.330 9.781 27.379 1.00 0.00 N ATOM 1702 CA ALA B 42 13.616 11.017 27.727 1.00 0.00 C ATOM 1703 C ALA B 42 14.571 12.165 28.110 1.00 0.00 C ATOM 1704 O ALA B 42 15.555 11.959 28.828 1.00 0.00 O ATOM 1705 CB ALA B 42 12.621 10.735 28.863 1.00 0.00 C ATOM 0 H ALA B 42 15.169 9.631 27.939 1.00 0.00 H new ATOM 0 HA ALA B 42 13.075 11.348 26.840 1.00 0.00 H new ATOM 0 HB1 ALA B 42 12.092 11.653 29.120 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.903 9.981 28.539 1.00 0.00 H new ATOM 0 HB3 ALA B 42 13.161 10.370 29.737 1.00 0.00 H new ATOM 1711 N PHE B 43 14.249 13.376 27.645 1.00 0.00 N ATOM 1712 CA PHE B 43 15.083 14.581 27.763 1.00 0.00 C ATOM 1713 C PHE B 43 14.219 15.817 28.087 1.00 0.00 C ATOM 1714 O PHE B 43 13.709 16.473 27.171 1.00 0.00 O ATOM 1715 CB PHE B 43 15.896 14.763 26.467 1.00 0.00 C ATOM 1716 CG PHE B 43 16.761 13.566 26.114 1.00 0.00 C ATOM 1717 CD1 PHE B 43 17.960 13.335 26.814 1.00 0.00 C ATOM 1718 CD2 PHE B 43 16.332 12.653 25.131 1.00 0.00 C ATOM 1719 CE1 PHE B 43 18.724 12.187 26.546 1.00 0.00 C ATOM 1720 CE2 PHE B 43 17.103 11.513 24.856 1.00 0.00 C ATOM 1721 CZ PHE B 43 18.291 11.271 25.569 1.00 0.00 C ATOM 0 H PHE B 43 13.370 13.553 27.159 1.00 0.00 H new ATOM 0 HA PHE B 43 15.782 14.465 28.592 1.00 0.00 H new ATOM 0 HB2 PHE B 43 15.210 14.959 25.643 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.532 15.642 26.569 1.00 0.00 H new ATOM 0 HD1 PHE B 43 18.294 14.042 27.559 1.00 0.00 H new ATOM 0 HD2 PHE B 43 15.413 12.829 24.591 1.00 0.00 H new ATOM 0 HE1 PHE B 43 19.641 12.008 27.088 1.00 0.00 H new ATOM 0 HE2 PHE B 43 16.783 10.818 24.094 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.871 10.383 25.367 1.00 0.00 H new ATOM 1731 N PRO B 44 14.001 16.131 29.379 1.00 0.00 N ATOM 1732 CA PRO B 44 13.246 17.308 29.804 1.00 0.00 C ATOM 1733 C PRO B 44 13.954 18.622 29.438 1.00 0.00 C ATOM 1734 O PRO B 44 15.185 18.718 29.454 1.00 0.00 O ATOM 1735 CB PRO B 44 13.026 17.147 31.312 1.00 0.00 C ATOM 1736 CG PRO B 44 14.181 16.256 31.763 1.00 0.00 C ATOM 1737 CD PRO B 44 14.444 15.372 30.545 1.00 0.00 C ATOM 0 HA PRO B 44 12.291 17.371 29.283 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.042 18.110 31.822 1.00 0.00 H new ATOM 0 HB3 PRO B 44 12.061 16.688 31.527 1.00 0.00 H new ATOM 0 HG2 PRO B 44 15.060 16.843 32.031 1.00 0.00 H new ATOM 0 HG3 PRO B 44 13.914 15.664 32.639 1.00 0.00 H new ATOM 0 HD2 PRO B 44 15.502 15.124 30.467 1.00 0.00 H new ATOM 0 HD3 PRO B 44 13.901 14.430 30.624 1.00 0.00 H new ATOM 1745 N GLY B 45 13.163 19.644 29.101 1.00 0.00 N ATOM 1746 CA GLY B 45 13.634 20.965 28.677 1.00 0.00 C ATOM 1747 C GLY B 45 13.928 21.093 27.172 1.00 0.00 C ATOM 1748 O GLY B 45 14.370 22.156 26.734 1.00 0.00 O ATOM 0 H GLY B 45 12.146 19.573 29.116 1.00 0.00 H new ATOM 0 HA2 GLY B 45 12.885 21.708 28.951 1.00 0.00 H new ATOM 0 HA3 GLY B 45 14.540 21.207 29.232 1.00 0.00 H new ATOM 1752 N LEU B 46 13.679 20.046 26.373 1.00 0.00 N ATOM 1753 CA LEU B 46 13.855 20.047 24.917 1.00 0.00 C ATOM 1754 C LEU B 46 12.529 20.013 24.136 1.00 0.00 C ATOM 1755 O LEU B 46 11.483 19.619 24.652 1.00 0.00 O ATOM 1756 CB LEU B 46 14.760 18.878 24.477 1.00 0.00 C ATOM 1757 CG LEU B 46 16.168 18.832 25.088 1.00 0.00 C ATOM 1758 CD1 LEU B 46 16.952 17.681 24.454 1.00 0.00 C ATOM 1759 CD2 LEU B 46 16.981 20.103 24.852 1.00 0.00 C ATOM 0 H LEU B 46 13.341 19.153 26.732 1.00 0.00 H new ATOM 0 HA LEU B 46 14.334 20.995 24.674 1.00 0.00 H new ATOM 0 HB2 LEU B 46 14.253 17.944 24.719 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.860 18.914 23.392 1.00 0.00 H new ATOM 0 HG LEU B 46 16.026 18.710 26.162 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.953 17.643 24.883 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.438 16.740 24.648 1.00 0.00 H new ATOM 0 HD13 LEU B 46 17.025 17.839 23.378 1.00 0.00 H new ATOM 0 HD21 LEU B 46 17.964 19.997 25.312 1.00 0.00 H new ATOM 0 HD22 LEU B 46 17.098 20.267 23.781 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.463 20.954 25.295 1.00 0.00 H new ATOM 1771 N ALA B 47 12.610 20.379 22.854 1.00 0.00 N ATOM 1772 CA ALA B 47 11.639 20.135 21.780 1.00 0.00 C ATOM 1773 C ALA B 47 12.384 19.736 20.482 1.00 0.00 C ATOM 1774 O ALA B 47 13.591 19.973 20.350 1.00 0.00 O ATOM 1775 CB ALA B 47 10.769 21.383 21.592 1.00 0.00 C ATOM 0 H ALA B 47 13.420 20.895 22.511 1.00 0.00 H new ATOM 0 HA ALA B 47 10.981 19.307 22.043 1.00 0.00 H new ATOM 0 HB1 ALA B 47 10.046 21.206 20.795 1.00 0.00 H new ATOM 0 HB2 ALA B 47 10.240 21.601 22.520 1.00 0.00 H new ATOM 0 HB3 ALA B 47 11.401 22.231 21.327 1.00 0.00 H new ATOM 1781 N ILE B 48 11.687 19.127 19.513 1.00 0.00 N ATOM 1782 CA ILE B 48 12.288 18.746 18.223 1.00 0.00 C ATOM 1783 C ILE B 48 12.538 20.016 17.391 1.00 0.00 C ATOM 1784 O ILE B 48 11.622 20.820 17.185 1.00 0.00 O ATOM 1785 CB ILE B 48 11.422 17.707 17.469 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.181 16.434 18.316 1.00 0.00 C ATOM 1787 CG2 ILE B 48 12.100 17.336 16.129 1.00 0.00 C ATOM 1788 CD1 ILE B 48 10.036 15.561 17.795 1.00 0.00 C ATOM 0 H ILE B 48 10.700 18.885 19.597 1.00 0.00 H new ATOM 0 HA ILE B 48 13.244 18.255 18.404 1.00 0.00 H new ATOM 0 HB ILE B 48 10.449 18.159 17.275 1.00 0.00 H new ATOM 0 HG12 ILE B 48 12.097 15.843 18.338 1.00 0.00 H new ATOM 0 HG13 ILE B 48 10.966 16.726 19.344 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.488 16.605 15.602 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.206 18.230 15.515 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.084 16.911 16.325 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.924 14.687 18.437 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.110 16.135 17.799 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.258 15.238 16.778 1.00 0.00 H new ATOM 1800 N GLY B 49 13.782 20.214 16.952 1.00 0.00 N ATOM 1801 CA GLY B 49 14.246 21.430 16.276 1.00 0.00 C ATOM 1802 C GLY B 49 14.467 21.280 14.773 1.00 0.00 C ATOM 1803 O GLY B 49 14.222 22.229 14.028 1.00 0.00 O ATOM 0 H GLY B 49 14.516 19.514 17.059 1.00 0.00 H new ATOM 0 HA2 GLY B 49 13.518 22.223 16.445 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.180 21.751 16.736 1.00 0.00 H new ATOM 1807 N ARG B 50 14.916 20.110 14.295 1.00 0.00 N ATOM 1808 CA ARG B 50 15.223 19.874 12.872 1.00 0.00 C ATOM 1809 C ARG B 50 15.120 18.391 12.507 1.00 0.00 C ATOM 1810 O ARG B 50 15.464 17.540 13.330 1.00 0.00 O ATOM 1811 CB ARG B 50 16.644 20.413 12.601 1.00 0.00 C ATOM 1812 CG ARG B 50 16.895 20.809 11.139 1.00 0.00 C ATOM 1813 CD ARG B 50 18.265 21.491 10.987 1.00 0.00 C ATOM 1814 NE ARG B 50 19.386 20.548 11.158 1.00 0.00 N ATOM 1815 CZ ARG B 50 20.103 19.968 10.211 1.00 0.00 C ATOM 1816 NH1 ARG B 50 19.946 20.222 8.947 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 21.007 19.083 10.515 1.00 0.00 N ATOM 0 H ARG B 50 15.078 19.295 14.886 1.00 0.00 H new ATOM 0 HA ARG B 50 14.494 20.393 12.250 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.819 21.281 13.237 1.00 0.00 H new ATOM 0 HB3 ARG B 50 17.371 19.654 12.891 1.00 0.00 H new ATOM 0 HG2 ARG B 50 16.852 19.924 10.505 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.108 21.483 10.800 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.330 21.953 10.002 1.00 0.00 H new ATOM 0 HD3 ARG B 50 18.352 22.292 11.721 1.00 0.00 H new ATOM 0 HE ARG B 50 19.637 20.316 12.119 1.00 0.00 H new ATOM 0 HH11 ARG B 50 19.243 20.897 8.646 1.00 0.00 H new ATOM 0 HH12 ARG B 50 20.526 19.747 8.255 1.00 0.00 H new ATOM 0 HH21 ARG B 50 21.167 18.832 11.491 1.00 0.00 H new ATOM 0 HH22 ARG B 50 21.556 18.640 9.778 1.00 0.00 H new ATOM 1831 N VAL B 51 14.730 18.080 11.264 1.00 0.00 N ATOM 1832 CA VAL B 51 14.958 16.763 10.649 1.00 0.00 C ATOM 1833 C VAL B 51 15.569 16.953 9.265 1.00 0.00 C ATOM 1834 O VAL B 51 15.047 17.705 8.442 1.00 0.00 O ATOM 1835 CB VAL B 51 13.690 15.889 10.582 1.00 0.00 C ATOM 1836 CG1 VAL B 51 14.058 14.441 10.236 1.00 0.00 C ATOM 1837 CG2 VAL B 51 12.890 15.887 11.892 1.00 0.00 C ATOM 0 H VAL B 51 14.245 18.737 10.653 1.00 0.00 H new ATOM 0 HA VAL B 51 15.651 16.219 11.290 1.00 0.00 H new ATOM 0 HB VAL B 51 13.063 16.327 9.805 1.00 0.00 H new ATOM 0 HG11 VAL B 51 13.152 13.836 10.192 1.00 0.00 H new ATOM 0 HG12 VAL B 51 14.559 14.414 9.269 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.724 14.042 11.001 1.00 0.00 H new ATOM 0 HG21 VAL B 51 12.010 15.254 11.780 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.514 15.502 12.699 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.577 16.904 12.129 1.00 0.00 H new ATOM 1847 N ASP B 52 16.689 16.281 9.000 1.00 0.00 N ATOM 1848 CA ASP B 52 17.493 16.414 7.785 1.00 0.00 C ATOM 1849 C ASP B 52 17.551 15.071 7.042 1.00 0.00 C ATOM 1850 O ASP B 52 18.437 14.240 7.257 1.00 0.00 O ATOM 1851 CB ASP B 52 18.875 16.964 8.178 1.00 0.00 C ATOM 1852 CG ASP B 52 19.696 17.489 6.993 1.00 0.00 C ATOM 1853 OD1 ASP B 52 20.731 18.145 7.249 1.00 0.00 O ATOM 1854 OD2 ASP B 52 19.290 17.357 5.815 1.00 0.00 O1- ATOM 0 H ASP B 52 17.077 15.601 9.653 1.00 0.00 H new ATOM 0 HA ASP B 52 17.044 17.120 7.086 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.742 17.769 8.900 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.439 16.177 8.678 1.00 0.00 H new ATOM 1859 N LEU B 53 16.552 14.836 6.188 1.00 0.00 N ATOM 1860 CA LEU B 53 16.281 13.548 5.544 1.00 0.00 C ATOM 1861 C LEU B 53 17.397 13.107 4.582 1.00 0.00 C ATOM 1862 O LEU B 53 17.543 11.910 4.316 1.00 0.00 O ATOM 1863 CB LEU B 53 14.932 13.620 4.794 1.00 0.00 C ATOM 1864 CG LEU B 53 13.626 13.756 5.608 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.477 12.661 6.669 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.428 15.125 6.267 1.00 0.00 C ATOM 0 H LEU B 53 15.887 15.561 5.917 1.00 0.00 H new ATOM 0 HA LEU B 53 16.237 12.797 6.333 1.00 0.00 H new ATOM 0 HB2 LEU B 53 14.982 14.466 4.109 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.847 12.721 4.184 1.00 0.00 H new ATOM 0 HG LEU B 53 12.845 13.642 4.856 1.00 0.00 H new ATOM 0 HD11 LEU B 53 12.542 12.805 7.211 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.470 11.684 6.185 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.313 12.714 7.366 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.487 15.131 6.817 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.251 15.321 6.954 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.405 15.898 5.499 1.00 0.00 H new ATOM 1878 N ARG B 54 18.225 14.049 4.109 1.00 0.00 N ATOM 1879 CA ARG B 54 19.434 13.786 3.299 1.00 0.00 C ATOM 1880 C ARG B 54 20.490 12.951 4.040 1.00 0.00 C ATOM 1881 O ARG B 54 21.281 12.261 3.394 1.00 0.00 O ATOM 1882 CB ARG B 54 20.052 15.127 2.879 1.00 0.00 C ATOM 1883 CG ARG B 54 19.141 15.935 1.938 1.00 0.00 C ATOM 1884 CD ARG B 54 19.640 17.374 1.765 1.00 0.00 C ATOM 1885 NE ARG B 54 19.583 18.107 3.042 1.00 0.00 N ATOM 1886 CZ ARG B 54 19.491 19.401 3.240 1.00 0.00 C ATOM 1887 NH1 ARG B 54 19.387 20.279 2.289 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 19.491 19.817 4.462 1.00 0.00 N ATOM 0 H ARG B 54 18.073 15.043 4.281 1.00 0.00 H new ATOM 0 HA ARG B 54 19.122 13.204 2.432 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.263 15.719 3.769 1.00 0.00 H new ATOM 0 HB3 ARG B 54 21.006 14.943 2.384 1.00 0.00 H new ATOM 0 HG2 ARG B 54 19.097 15.446 0.965 1.00 0.00 H new ATOM 0 HG3 ARG B 54 18.126 15.947 2.335 1.00 0.00 H new ATOM 0 HD2 ARG B 54 20.664 17.366 1.391 1.00 0.00 H new ATOM 0 HD3 ARG B 54 19.032 17.887 1.019 1.00 0.00 H new ATOM 0 HE ARG B 54 19.620 17.532 3.884 1.00 0.00 H new ATOM 0 HH11 ARG B 54 19.373 19.977 1.315 1.00 0.00 H new ATOM 0 HH12 ARG B 54 19.319 21.271 2.516 1.00 0.00 H new ATOM 0 HH21 ARG B 54 19.561 19.148 5.229 1.00 0.00 H new ATOM 0 HH22 ARG B 54 19.421 20.815 4.661 1.00 0.00 H new ATOM 1902 N SER B 55 20.500 13.002 5.376 1.00 0.00 N ATOM 1903 CA SER B 55 21.456 12.297 6.254 1.00 0.00 C ATOM 1904 C SER B 55 20.784 11.449 7.350 1.00 0.00 C ATOM 1905 O SER B 55 21.464 10.696 8.057 1.00 0.00 O ATOM 1906 CB SER B 55 22.432 13.327 6.858 1.00 0.00 C ATOM 1907 OG SER B 55 23.575 12.705 7.431 1.00 0.00 O ATOM 0 H SER B 55 19.821 13.553 5.900 1.00 0.00 H new ATOM 0 HA SER B 55 22.000 11.579 5.640 1.00 0.00 H new ATOM 0 HB2 SER B 55 22.749 14.024 6.082 1.00 0.00 H new ATOM 0 HB3 SER B 55 21.917 13.911 7.620 1.00 0.00 H new ATOM 0 HG SER B 55 23.343 11.798 7.720 1.00 0.00 H new ATOM 1913 N GLY B 56 19.456 11.533 7.506 1.00 0.00 N ATOM 1914 CA GLY B 56 18.669 10.794 8.502 1.00 0.00 C ATOM 1915 C GLY B 56 18.810 11.312 9.943 1.00 0.00 C ATOM 1916 O GLY B 56 18.620 10.539 10.881 1.00 0.00 O ATOM 0 H GLY B 56 18.880 12.139 6.921 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.618 10.834 8.217 1.00 0.00 H new ATOM 0 HA3 GLY B 56 18.967 9.746 8.476 1.00 0.00 H new ATOM 1920 N VAL B 57 19.177 12.586 10.134 1.00 0.00 N ATOM 1921 CA VAL B 57 19.434 13.173 11.459 1.00 0.00 C ATOM 1922 C VAL B 57 18.220 13.957 11.970 1.00 0.00 C ATOM 1923 O VAL B 57 17.737 14.875 11.307 1.00 0.00 O ATOM 1924 CB VAL B 57 20.701 14.057 11.458 1.00 0.00 C ATOM 1925 CG1 VAL B 57 20.966 14.695 12.829 1.00 0.00 C ATOM 1926 CG2 VAL B 57 21.943 13.239 11.083 1.00 0.00 C ATOM 0 H VAL B 57 19.306 13.246 9.367 1.00 0.00 H new ATOM 0 HA VAL B 57 19.611 12.345 12.145 1.00 0.00 H new ATOM 0 HB VAL B 57 20.517 14.839 10.722 1.00 0.00 H new ATOM 0 HG11 VAL B 57 21.867 15.307 12.778 1.00 0.00 H new ATOM 0 HG12 VAL B 57 20.118 15.320 13.109 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.101 13.912 13.575 1.00 0.00 H new ATOM 0 HG21 VAL B 57 22.820 13.886 11.090 1.00 0.00 H new ATOM 0 HG22 VAL B 57 22.080 12.434 11.805 1.00 0.00 H new ATOM 0 HG23 VAL B 57 21.813 12.815 10.087 1.00 0.00 H new ATOM 1936 N ILE B 58 17.768 13.622 13.176 1.00 0.00 N ATOM 1937 CA ILE B 58 16.835 14.381 14.014 1.00 0.00 C ATOM 1938 C ILE B 58 17.657 15.177 15.036 1.00 0.00 C ATOM 1939 O ILE B 58 18.494 14.602 15.735 1.00 0.00 O ATOM 1940 CB ILE B 58 15.836 13.416 14.702 1.00 0.00 C ATOM 1941 CG1 ILE B 58 14.945 12.707 13.656 1.00 0.00 C ATOM 1942 CG2 ILE B 58 14.960 14.135 15.751 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.195 11.483 14.202 1.00 0.00 C ATOM 0 H ILE B 58 18.062 12.755 13.627 1.00 0.00 H new ATOM 0 HA ILE B 58 16.246 15.074 13.413 1.00 0.00 H new ATOM 0 HB ILE B 58 16.429 12.667 15.227 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.219 13.422 13.268 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.566 12.395 12.816 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.276 13.419 16.206 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.597 14.569 16.522 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.388 14.926 15.266 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.592 11.042 13.408 1.00 0.00 H new ATOM 0 HD12 ILE B 58 14.914 10.748 14.564 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.546 11.790 15.022 1.00 0.00 H new ATOM 1955 N SER B 59 17.416 16.484 15.152 1.00 0.00 N ATOM 1956 CA SER B 59 18.135 17.382 16.070 1.00 0.00 C ATOM 1957 C SER B 59 17.163 18.111 17.003 1.00 0.00 C ATOM 1958 O SER B 59 16.079 18.534 16.586 1.00 0.00 O ATOM 1959 CB SER B 59 18.981 18.382 15.283 1.00 0.00 C ATOM 1960 OG SER B 59 19.804 19.145 16.149 1.00 0.00 O ATOM 0 H SER B 59 16.702 16.962 14.602 1.00 0.00 H new ATOM 0 HA SER B 59 18.798 16.776 16.687 1.00 0.00 H new ATOM 0 HB2 SER B 59 19.601 17.850 14.561 1.00 0.00 H new ATOM 0 HB3 SER B 59 18.330 19.047 14.715 1.00 0.00 H new ATOM 0 HG SER B 59 20.337 19.776 15.622 1.00 0.00 H new ATOM 1966 N LEU B 60 17.537 18.236 18.279 1.00 0.00 N ATOM 1967 CA LEU B 60 16.709 18.808 19.346 1.00 0.00 C ATOM 1968 C LEU B 60 17.229 20.180 19.817 1.00 0.00 C ATOM 1969 O LEU B 60 18.430 20.457 19.766 1.00 0.00 O ATOM 1970 CB LEU B 60 16.614 17.816 20.515 1.00 0.00 C ATOM 1971 CG LEU B 60 16.263 16.356 20.157 1.00 0.00 C ATOM 1972 CD1 LEU B 60 16.084 15.556 21.443 1.00 0.00 C ATOM 1973 CD2 LEU B 60 14.974 16.225 19.343 1.00 0.00 C ATOM 0 H LEU B 60 18.453 17.933 18.609 1.00 0.00 H new ATOM 0 HA LEU B 60 15.711 18.981 18.943 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.569 17.817 21.041 1.00 0.00 H new ATOM 0 HB3 LEU B 60 15.864 18.185 21.214 1.00 0.00 H new ATOM 0 HG LEU B 60 17.085 15.980 19.548 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.836 14.523 21.198 1.00 0.00 H new ATOM 0 HD12 LEU B 60 17.010 15.580 22.018 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.278 15.992 22.034 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.786 15.174 19.126 1.00 0.00 H new ATOM 0 HD22 LEU B 60 14.140 16.632 19.915 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.076 16.776 18.408 1.00 0.00 H new ATOM 1985 N ILE B 61 16.313 21.028 20.299 1.00 0.00 N ATOM 1986 CA ILE B 61 16.570 22.400 20.792 1.00 0.00 C ATOM 1987 C ILE B 61 15.881 22.650 22.138 1.00 0.00 C ATOM 1988 O ILE B 61 14.937 21.951 22.498 1.00 0.00 O ATOM 1989 CB ILE B 61 16.179 23.463 19.725 1.00 0.00 C ATOM 1990 CG1 ILE B 61 14.712 23.412 19.226 1.00 0.00 C ATOM 1991 CG2 ILE B 61 17.138 23.362 18.523 1.00 0.00 C ATOM 1992 CD1 ILE B 61 13.702 24.135 20.120 1.00 0.00 C ATOM 0 H ILE B 61 15.328 20.772 20.362 1.00 0.00 H new ATOM 0 HA ILE B 61 17.642 22.499 20.964 1.00 0.00 H new ATOM 0 HB ILE B 61 16.268 24.422 20.236 1.00 0.00 H new ATOM 0 HG12 ILE B 61 14.668 23.847 18.227 1.00 0.00 H new ATOM 0 HG13 ILE B 61 14.411 22.368 19.133 1.00 0.00 H new ATOM 0 HG21 ILE B 61 16.864 24.107 17.776 1.00 0.00 H new ATOM 0 HG22 ILE B 61 18.160 23.542 18.857 1.00 0.00 H new ATOM 0 HG23 ILE B 61 17.069 22.366 18.085 1.00 0.00 H new ATOM 0 HD11 ILE B 61 12.705 24.044 19.689 1.00 0.00 H new ATOM 0 HD12 ILE B 61 13.710 23.688 21.114 1.00 0.00 H new ATOM 0 HD13 ILE B 61 13.971 25.189 20.194 1.00 0.00 H new ATOM 2004 N GLU B 62 16.339 23.644 22.901 1.00 0.00 N ATOM 2005 CA GLU B 62 15.760 23.992 24.210 1.00 0.00 C ATOM 2006 C GLU B 62 14.370 24.633 24.071 1.00 0.00 C ATOM 2007 O GLU B 62 14.192 25.602 23.328 1.00 0.00 O ATOM 2008 CB GLU B 62 16.709 24.920 24.992 1.00 0.00 C ATOM 2009 CG GLU B 62 18.034 24.242 25.370 1.00 0.00 C ATOM 2010 CD GLU B 62 18.947 25.218 26.133 1.00 0.00 C ATOM 2011 OE1 GLU B 62 19.618 26.066 25.493 1.00 0.00 O ATOM 2012 OE2 GLU B 62 19.015 25.142 27.387 1.00 0.00 O1- ATOM 0 H GLU B 62 17.125 24.236 22.632 1.00 0.00 H new ATOM 0 HA GLU B 62 15.636 23.064 24.769 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.919 25.806 24.392 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.210 25.260 25.899 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.836 23.365 25.986 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.539 23.892 24.470 1.00 0.00 H new ATOM 2019 N GLU B 63 13.370 24.123 24.800 1.00 0.00 N ATOM 2020 CA GLU B 63 11.978 24.623 24.753 1.00 0.00 C ATOM 2021 C GLU B 63 11.738 25.856 25.645 1.00 0.00 C ATOM 2022 O GLU B 63 10.882 26.686 25.335 1.00 0.00 O ATOM 2023 CB GLU B 63 11.000 23.468 25.045 1.00 0.00 C ATOM 2024 CG GLU B 63 10.970 22.960 26.502 1.00 0.00 C ATOM 2025 CD GLU B 63 9.871 23.584 27.394 1.00 0.00 C ATOM 2026 OE1 GLU B 63 10.113 23.738 28.616 1.00 0.00 O ATOM 2027 OE2 GLU B 63 8.756 23.885 26.906 1.00 0.00 O1- ATOM 0 H GLU B 63 13.499 23.345 25.447 1.00 0.00 H new ATOM 0 HA GLU B 63 11.788 24.985 23.743 1.00 0.00 H new ATOM 0 HB2 GLU B 63 9.995 23.791 24.773 1.00 0.00 H new ATOM 0 HB3 GLU B 63 11.253 22.631 24.394 1.00 0.00 H new ATOM 0 HG2 GLU B 63 10.835 21.878 26.490 1.00 0.00 H new ATOM 0 HG3 GLU B 63 11.940 23.155 26.958 1.00 0.00 H new ATOM 2034 N GLN B 64 12.533 26.015 26.711 1.00 0.00 N ATOM 2035 CA GLN B 64 12.589 27.192 27.596 1.00 0.00 C ATOM 2036 C GLN B 64 14.023 27.416 28.118 1.00 0.00 C ATOM 2037 O GLN B 64 14.802 26.470 28.253 1.00 0.00 O ATOM 2038 CB GLN B 64 11.631 27.038 28.796 1.00 0.00 C ATOM 2039 CG GLN B 64 10.131 27.149 28.481 1.00 0.00 C ATOM 2040 CD GLN B 64 9.711 28.552 28.060 1.00 0.00 C ATOM 2041 OE1 GLN B 64 9.397 29.402 28.884 1.00 0.00 O ATOM 2042 NE2 GLN B 64 9.703 28.862 26.781 1.00 0.00 N ATOM 0 H GLN B 64 13.190 25.289 26.997 1.00 0.00 H new ATOM 0 HA GLN B 64 12.279 28.054 27.006 1.00 0.00 H new ATOM 0 HB2 GLN B 64 11.814 26.068 29.259 1.00 0.00 H new ATOM 0 HB3 GLN B 64 11.883 27.797 29.536 1.00 0.00 H new ATOM 0 HG2 GLN B 64 9.880 26.447 27.686 1.00 0.00 H new ATOM 0 HG3 GLN B 64 9.558 26.853 29.360 1.00 0.00 H new ATOM 0 HE21 GLN B 64 9.963 28.163 26.085 1.00 0.00 H new ATOM 0 HE22 GLN B 64 9.437 29.801 26.486 1.00 0.00 H new ATOM 2051 N ASN B 65 14.351 28.668 28.453 1.00 0.00 N ATOM 2052 CA ASN B 65 15.643 29.083 29.025 1.00 0.00 C ATOM 2053 C ASN B 65 15.589 29.281 30.561 1.00 0.00 C ATOM 2054 O ASN B 65 16.379 30.042 31.126 1.00 0.00 O ATOM 2055 CB ASN B 65 16.149 30.330 28.272 1.00 0.00 C ATOM 2056 CG ASN B 65 16.272 30.114 26.774 1.00 0.00 C ATOM 2057 OD1 ASN B 65 15.483 30.608 25.978 1.00 0.00 O ATOM 2058 ND2 ASN B 65 17.269 29.377 26.334 1.00 0.00 N ATOM 0 H ASN B 65 13.706 29.448 28.331 1.00 0.00 H new ATOM 0 HA ASN B 65 16.363 28.277 28.884 1.00 0.00 H new ATOM 0 HB2 ASN B 65 15.468 31.160 28.458 1.00 0.00 H new ATOM 0 HB3 ASN B 65 17.121 30.619 28.672 1.00 0.00 H new ATOM 0 HD21 ASN B 65 17.383 29.219 25.333 1.00 0.00 H new ATOM 0 HD22 ASN B 65 17.928 28.964 26.994 1.00 0.00 H new ATOM 2065 N ARG B 66 14.620 28.637 31.234 1.00 0.00 N ATOM 2066 CA ARG B 66 14.258 28.805 32.656 1.00 0.00 C ATOM 2067 C ARG B 66 13.723 27.512 33.288 1.00 0.00 C ATOM 2068 O ARG B 66 13.910 27.339 34.512 1.00 0.00 O ATOM 2069 CB ARG B 66 13.262 29.973 32.810 1.00 0.00 C ATOM 2070 CG ARG B 66 11.987 29.847 31.954 1.00 0.00 C ATOM 2071 CD ARG B 66 11.017 31.008 32.207 1.00 0.00 C ATOM 2072 NE ARG B 66 9.878 30.938 31.277 1.00 0.00 N ATOM 2073 CZ ARG B 66 8.756 31.626 31.310 1.00 0.00 C ATOM 2074 NH1 ARG B 66 8.495 32.510 32.233 1.00 0.00 N1+ ATOM 2075 NH2 ARG B 66 7.867 31.415 30.385 1.00 0.00 N ATOM 2076 OXT ARG B 66 13.139 26.672 32.561 1.00 0.00 O1- ATOM 0 H ARG B 66 14.032 27.943 30.774 1.00 0.00 H new ATOM 0 HA ARG B 66 15.168 29.047 33.205 1.00 0.00 H new ATOM 0 HB2 ARG B 66 12.974 30.051 33.858 1.00 0.00 H new ATOM 0 HB3 ARG B 66 13.769 30.902 32.549 1.00 0.00 H new ATOM 0 HG2 ARG B 66 12.258 29.823 30.899 1.00 0.00 H new ATOM 0 HG3 ARG B 66 11.491 28.903 32.177 1.00 0.00 H new ATOM 0 HD2 ARG B 66 10.658 30.972 33.235 1.00 0.00 H new ATOM 0 HD3 ARG B 66 11.537 31.958 32.084 1.00 0.00 H new ATOM 0 HE ARG B 66 9.970 30.272 30.510 1.00 0.00 H new ATOM 0 HH11 ARG B 66 9.175 32.693 32.971 1.00 0.00 H new ATOM 0 HH12 ARG B 66 7.611 33.019 32.217 1.00 0.00 H new ATOM 0 HH21 ARG B 66 8.046 30.728 29.653 1.00 0.00 H new ATOM 0 HH22 ARG B 66 6.991 31.937 30.391 1.00 0.00 H new TER 2090 ARG B 66