USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 458 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 1 CYS N :NH3+ -131:sc= -1.79 (180deg=-5.57!) USER MOD Single : A 1 CYS SG : rot 87:sc= -1.68 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0.518 K(o=0.52,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -140:sc= -0.167 (180deg=-1.05) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 150:sc= -0.352 (180deg=-1.41!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -68:sc= 0.829 USER MOD Single : A 20 SER OG : rot 180:sc= -0.691! USER MOD Single : A 25 GLN :FLIP amide:sc= -1.2! C(o=-5.5!,f=-1.2!) USER MOD Single : A 26 ASN : amide:sc= -1.15 X(o=-1.2,f=-0.86) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.029) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.448 F(o=-1.4,f=-0.45) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.544 K(o=0.54,f=-3!) USER MOD Single : A 54 GLN : amide:sc= -0.0126 K(o=-0.013,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 43.024 -18.670 -5.525 1.00 1.00 N ATOM 2 CA CYS A 1 41.706 -18.114 -5.942 1.00 1.00 C ATOM 3 C CYS A 1 41.235 -17.094 -4.908 1.00 1.00 C ATOM 4 O CYS A 1 41.944 -16.800 -3.945 1.00 1.00 O ATOM 5 CB CYS A 1 40.695 -19.255 -6.065 1.00 1.00 C ATOM 6 SG CYS A 1 39.296 -18.714 -7.077 1.00 1.00 S ATOM 0 H1 CYS A 1 43.686 -18.633 -6.326 1.00 1.00 H new ATOM 0 H2 CYS A 1 43.404 -18.109 -4.736 1.00 1.00 H new ATOM 0 H3 CYS A 1 42.904 -19.657 -5.221 1.00 1.00 H new ATOM 0 HA CYS A 1 41.800 -17.617 -6.908 1.00 1.00 H new ATOM 0 HB2 CYS A 1 41.168 -20.127 -6.516 1.00 1.00 H new ATOM 0 HB3 CYS A 1 40.348 -19.556 -5.077 1.00 1.00 H new ATOM 0 HG CYS A 1 39.565 -18.916 -8.333 1.00 1.00 H new ATOM 14 N SER A 2 40.038 -16.547 -5.118 1.00 1.00 N ATOM 15 CA SER A 2 39.479 -15.546 -4.205 1.00 1.00 C ATOM 16 C SER A 2 38.572 -16.191 -3.164 1.00 1.00 C ATOM 17 O SER A 2 37.873 -15.505 -2.419 1.00 1.00 O ATOM 18 CB SER A 2 38.694 -14.498 -4.995 1.00 1.00 C ATOM 19 OG SER A 2 39.594 -13.747 -5.801 1.00 1.00 O ATOM 0 H SER A 2 39.437 -16.778 -5.909 1.00 1.00 H new ATOM 0 HA SER A 2 40.308 -15.066 -3.685 1.00 1.00 H new ATOM 0 HB2 SER A 2 37.945 -14.983 -5.621 1.00 1.00 H new ATOM 0 HB3 SER A 2 38.160 -13.837 -4.313 1.00 1.00 H new ATOM 0 HG SER A 2 39.094 -13.075 -6.310 1.00 1.00 H new ATOM 25 N LYS A 3 38.589 -17.515 -3.128 1.00 1.00 N ATOM 26 CA LYS A 3 37.767 -18.277 -2.184 1.00 1.00 C ATOM 27 C LYS A 3 38.621 -18.979 -1.125 1.00 1.00 C ATOM 28 O LYS A 3 38.871 -20.182 -1.211 1.00 1.00 O ATOM 29 CB LYS A 3 36.939 -19.322 -2.937 1.00 1.00 C ATOM 30 CG LYS A 3 37.807 -19.994 -4.001 1.00 1.00 C ATOM 31 CD LYS A 3 37.038 -21.159 -4.624 1.00 1.00 C ATOM 32 CE LYS A 3 37.912 -21.848 -5.674 1.00 1.00 C ATOM 33 NZ LYS A 3 37.201 -23.051 -6.194 1.00 1.00 N ATOM 0 H LYS A 3 39.164 -18.091 -3.742 1.00 1.00 H new ATOM 0 HA LYS A 3 37.109 -17.570 -1.678 1.00 1.00 H new ATOM 0 HB2 LYS A 3 36.556 -20.068 -2.241 1.00 1.00 H new ATOM 0 HB3 LYS A 3 36.075 -18.849 -3.404 1.00 1.00 H new ATOM 0 HG2 LYS A 3 38.082 -19.273 -4.771 1.00 1.00 H new ATOM 0 HG3 LYS A 3 38.735 -20.353 -3.555 1.00 1.00 H new ATOM 0 HD2 LYS A 3 36.750 -21.872 -3.852 1.00 1.00 H new ATOM 0 HD3 LYS A 3 36.118 -20.797 -5.083 1.00 1.00 H new ATOM 0 HE2 LYS A 3 38.131 -21.160 -6.490 1.00 1.00 H new ATOM 0 HE3 LYS A 3 38.867 -22.137 -5.236 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 37.792 -23.522 -6.908 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 37.014 -23.709 -5.411 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 36.300 -22.762 -6.626 1.00 1.00 H new ATOM 47 N ASN A 4 39.037 -18.220 -0.117 1.00 1.00 N ATOM 48 CA ASN A 4 39.837 -18.771 0.997 1.00 1.00 C ATOM 49 C ASN A 4 41.320 -18.835 0.644 1.00 1.00 C ATOM 50 O ASN A 4 42.168 -18.393 1.420 1.00 1.00 O ATOM 51 CB ASN A 4 39.332 -20.184 1.366 1.00 1.00 C ATOM 52 CG ASN A 4 39.559 -20.470 2.851 1.00 1.00 C ATOM 53 OD1 ASN A 4 40.429 -21.265 3.207 1.00 1.00 O ATOM 54 ND2 ASN A 4 38.821 -19.866 3.742 1.00 1.00 N ATOM 0 H ASN A 4 38.840 -17.222 -0.038 1.00 1.00 H new ATOM 0 HA ASN A 4 39.718 -18.104 1.851 1.00 1.00 H new ATOM 0 HB2 ASN A 4 38.271 -20.268 1.133 1.00 1.00 H new ATOM 0 HB3 ASN A 4 39.851 -20.930 0.764 1.00 1.00 H new ATOM 0 HD21 ASN A 4 38.965 -20.052 4.734 1.00 1.00 H new ATOM 0 HD22 ASN A 4 38.101 -19.208 3.446 1.00 1.00 H new ATOM 61 N ARG A 5 41.618 -19.401 -0.525 1.00 1.00 N ATOM 62 CA ARG A 5 43.000 -19.545 -0.996 1.00 1.00 C ATOM 63 C ARG A 5 43.850 -18.365 -0.518 1.00 1.00 C ATOM 64 O ARG A 5 44.952 -18.553 -0.004 1.00 1.00 O ATOM 65 CB ARG A 5 42.997 -19.621 -2.542 1.00 1.00 C ATOM 66 CG ARG A 5 44.057 -20.615 -3.050 1.00 1.00 C ATOM 67 CD ARG A 5 45.451 -20.240 -2.521 1.00 1.00 C ATOM 68 NE ARG A 5 45.712 -20.932 -1.265 1.00 1.00 N ATOM 69 CZ ARG A 5 46.799 -20.666 -0.546 1.00 1.00 C ATOM 70 NH1 ARG A 5 47.646 -19.760 -0.950 1.00 1.00 N ATOM 71 NH2 ARG A 5 47.016 -21.313 0.565 1.00 1.00 N ATOM 0 H ARG A 5 40.918 -19.770 -1.169 1.00 1.00 H new ATOM 0 HA ARG A 5 43.433 -20.459 -0.589 1.00 1.00 H new ATOM 0 HB2 ARG A 5 42.011 -19.926 -2.892 1.00 1.00 H new ATOM 0 HB3 ARG A 5 43.192 -18.633 -2.958 1.00 1.00 H new ATOM 0 HG2 ARG A 5 43.800 -21.624 -2.729 1.00 1.00 H new ATOM 0 HG3 ARG A 5 44.065 -20.620 -4.140 1.00 1.00 H new ATOM 0 HD2 ARG A 5 46.211 -20.505 -3.256 1.00 1.00 H new ATOM 0 HD3 ARG A 5 45.514 -19.162 -2.371 1.00 1.00 H new ATOM 0 HE ARG A 5 45.050 -21.632 -0.932 1.00 1.00 H new ATOM 0 HH11 ARG A 5 47.475 -19.254 -1.819 1.00 1.00 H new ATOM 0 HH12 ARG A 5 48.479 -19.558 -0.397 1.00 1.00 H new ATOM 0 HH21 ARG A 5 46.353 -22.021 0.881 1.00 1.00 H new ATOM 0 HH22 ARG A 5 47.849 -21.111 1.118 1.00 1.00 H new ATOM 85 N LYS A 6 43.304 -17.157 -0.659 1.00 1.00 N ATOM 86 CA LYS A 6 43.999 -15.951 -0.210 1.00 1.00 C ATOM 87 C LYS A 6 45.371 -15.836 -0.853 1.00 1.00 C ATOM 88 O LYS A 6 46.097 -16.818 -0.999 1.00 1.00 O ATOM 89 CB LYS A 6 44.133 -15.979 1.314 1.00 1.00 C ATOM 90 CG LYS A 6 44.832 -14.701 1.803 1.00 1.00 C ATOM 91 CD LYS A 6 44.486 -14.447 3.280 1.00 1.00 C ATOM 92 CE LYS A 6 44.852 -15.668 4.148 1.00 1.00 C ATOM 93 NZ LYS A 6 43.631 -16.496 4.368 1.00 1.00 N ATOM 0 H LYS A 6 42.389 -16.988 -1.077 1.00 1.00 H new ATOM 0 HA LYS A 6 43.415 -15.081 -0.511 1.00 1.00 H new ATOM 0 HB2 LYS A 6 43.148 -16.063 1.773 1.00 1.00 H new ATOM 0 HB3 LYS A 6 44.703 -16.856 1.621 1.00 1.00 H new ATOM 0 HG2 LYS A 6 45.911 -14.799 1.685 1.00 1.00 H new ATOM 0 HG3 LYS A 6 44.520 -13.851 1.196 1.00 1.00 H new ATOM 0 HD2 LYS A 6 45.022 -13.568 3.637 1.00 1.00 H new ATOM 0 HD3 LYS A 6 43.422 -14.233 3.377 1.00 1.00 H new ATOM 0 HE2 LYS A 6 45.624 -16.260 3.657 1.00 1.00 H new ATOM 0 HE3 LYS A 6 45.261 -15.341 5.104 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 43.619 -16.843 5.348 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 42.784 -15.918 4.194 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 43.638 -17.305 3.715 1.00 1.00 H new ATOM 107 N ALA A 7 45.710 -14.620 -1.249 1.00 1.00 N ATOM 108 CA ALA A 7 46.996 -14.352 -1.896 1.00 1.00 C ATOM 109 C ALA A 7 46.919 -14.689 -3.383 1.00 1.00 C ATOM 110 O ALA A 7 47.930 -14.721 -4.073 1.00 1.00 O ATOM 111 CB ALA A 7 48.117 -15.163 -1.220 1.00 1.00 C ATOM 0 H ALA A 7 45.116 -13.798 -1.136 1.00 1.00 H new ATOM 0 HA ALA A 7 47.225 -13.292 -1.790 1.00 1.00 H new ATOM 0 HB1 ALA A 7 49.066 -14.952 -1.713 1.00 1.00 H new ATOM 0 HB2 ALA A 7 48.184 -14.884 -0.168 1.00 1.00 H new ATOM 0 HB3 ALA A 7 47.895 -16.227 -1.300 1.00 1.00 H new ATOM 117 N LYS A 8 45.707 -14.944 -3.869 1.00 1.00 N ATOM 118 CA LYS A 8 45.514 -15.276 -5.283 1.00 1.00 C ATOM 119 C LYS A 8 46.337 -14.334 -6.176 1.00 1.00 C ATOM 120 O LYS A 8 46.418 -13.132 -5.931 1.00 1.00 O ATOM 121 CB LYS A 8 44.015 -15.195 -5.674 1.00 1.00 C ATOM 122 CG LYS A 8 43.263 -14.221 -4.755 1.00 1.00 C ATOM 123 CD LYS A 8 43.876 -12.820 -4.864 1.00 1.00 C ATOM 124 CE LYS A 8 42.907 -11.783 -4.295 1.00 1.00 C ATOM 125 NZ LYS A 8 43.470 -10.417 -4.500 1.00 1.00 N ATOM 0 H LYS A 8 44.851 -14.928 -3.314 1.00 1.00 H new ATOM 0 HA LYS A 8 45.857 -16.299 -5.434 1.00 1.00 H new ATOM 0 HB2 LYS A 8 43.922 -14.870 -6.710 1.00 1.00 H new ATOM 0 HB3 LYS A 8 43.564 -16.185 -5.609 1.00 1.00 H new ATOM 0 HG2 LYS A 8 42.209 -14.188 -5.030 1.00 1.00 H new ATOM 0 HG3 LYS A 8 43.312 -14.570 -3.723 1.00 1.00 H new ATOM 0 HD2 LYS A 8 44.821 -12.784 -4.322 1.00 1.00 H new ATOM 0 HD3 LYS A 8 44.097 -12.590 -5.906 1.00 1.00 H new ATOM 0 HE2 LYS A 8 41.937 -11.867 -4.786 1.00 1.00 H new ATOM 0 HE3 LYS A 8 42.743 -11.966 -3.233 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 42.813 -9.709 -4.114 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 44.385 -10.342 -4.012 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 43.605 -10.246 -5.517 1.00 1.00 H new ATOM 139 N ALA A 9 46.940 -14.907 -7.210 1.00 1.00 N ATOM 140 CA ALA A 9 47.758 -14.145 -8.153 1.00 1.00 C ATOM 141 C ALA A 9 48.768 -13.288 -7.405 1.00 1.00 C ATOM 142 O ALA A 9 48.565 -12.090 -7.228 1.00 1.00 O ATOM 143 CB ALA A 9 46.864 -13.265 -9.028 1.00 1.00 C ATOM 0 H ALA A 9 46.879 -15.903 -7.420 1.00 1.00 H new ATOM 0 HA ALA A 9 48.300 -14.843 -8.791 1.00 1.00 H new ATOM 0 HB1 ALA A 9 47.481 -12.701 -9.727 1.00 1.00 H new ATOM 0 HB2 ALA A 9 46.167 -13.893 -9.584 1.00 1.00 H new ATOM 0 HB3 ALA A 9 46.305 -12.573 -8.398 1.00 1.00 H new ATOM 149 N LYS A 10 49.851 -13.923 -6.960 1.00 1.00 N ATOM 150 CA LYS A 10 50.896 -13.218 -6.213 1.00 1.00 C ATOM 151 C LYS A 10 52.068 -14.166 -5.920 1.00 1.00 C ATOM 152 O LYS A 10 53.196 -13.907 -6.341 1.00 1.00 O ATOM 153 CB LYS A 10 50.313 -12.655 -4.888 1.00 1.00 C ATOM 154 CG LYS A 10 50.291 -11.115 -4.885 1.00 1.00 C ATOM 155 CD LYS A 10 49.659 -10.607 -3.573 1.00 1.00 C ATOM 156 CE LYS A 10 50.719 -10.535 -2.466 1.00 1.00 C ATOM 157 NZ LYS A 10 51.833 -9.642 -2.897 1.00 1.00 N ATOM 0 H LYS A 10 50.029 -14.917 -7.101 1.00 1.00 H new ATOM 0 HA LYS A 10 51.263 -12.387 -6.816 1.00 1.00 H new ATOM 0 HB2 LYS A 10 49.301 -13.034 -4.746 1.00 1.00 H new ATOM 0 HB3 LYS A 10 50.908 -13.012 -4.048 1.00 1.00 H new ATOM 0 HG2 LYS A 10 51.305 -10.727 -4.986 1.00 1.00 H new ATOM 0 HG3 LYS A 10 49.723 -10.748 -5.740 1.00 1.00 H new ATOM 0 HD2 LYS A 10 49.220 -9.622 -3.730 1.00 1.00 H new ATOM 0 HD3 LYS A 10 48.850 -11.272 -3.269 1.00 1.00 H new ATOM 0 HE2 LYS A 10 50.273 -10.158 -1.546 1.00 1.00 H new ATOM 0 HE3 LYS A 10 51.102 -11.532 -2.250 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 52.257 -9.189 -2.063 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 52.556 -10.203 -3.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 51.464 -8.911 -3.538 1.00 1.00 H new ATOM 171 N PRO A 11 51.835 -15.248 -5.206 1.00 1.00 N ATOM 172 CA PRO A 11 52.917 -16.220 -4.866 1.00 1.00 C ATOM 173 C PRO A 11 53.641 -16.731 -6.110 1.00 1.00 C ATOM 174 O PRO A 11 53.070 -17.448 -6.932 1.00 1.00 O ATOM 175 CB PRO A 11 52.179 -17.356 -4.125 1.00 1.00 C ATOM 176 CG PRO A 11 50.733 -17.172 -4.459 1.00 1.00 C ATOM 177 CD PRO A 11 50.540 -15.676 -4.646 1.00 1.00 C ATOM 0 HA PRO A 11 53.702 -15.768 -4.260 1.00 1.00 H new ATOM 0 HB2 PRO A 11 52.536 -18.334 -4.449 1.00 1.00 H new ATOM 0 HB3 PRO A 11 52.345 -17.296 -3.049 1.00 1.00 H new ATOM 0 HG2 PRO A 11 50.468 -17.717 -5.365 1.00 1.00 H new ATOM 0 HG3 PRO A 11 50.096 -17.552 -3.661 1.00 1.00 H new ATOM 0 HD2 PRO A 11 49.714 -15.456 -5.322 1.00 1.00 H new ATOM 0 HD3 PRO A 11 50.322 -15.175 -3.703 1.00 1.00 H new ATOM 185 N VAL A 12 54.905 -16.347 -6.225 1.00 1.00 N ATOM 186 CA VAL A 12 55.726 -16.759 -7.363 1.00 1.00 C ATOM 187 C VAL A 12 55.977 -18.251 -7.323 1.00 1.00 C ATOM 188 O VAL A 12 55.923 -18.937 -8.343 1.00 1.00 O ATOM 189 CB VAL A 12 57.066 -16.015 -7.376 1.00 1.00 C ATOM 190 CG1 VAL A 12 57.891 -16.484 -8.574 1.00 1.00 C ATOM 191 CG2 VAL A 12 56.808 -14.512 -7.489 1.00 1.00 C ATOM 0 H VAL A 12 55.386 -15.753 -5.549 1.00 1.00 H new ATOM 0 HA VAL A 12 55.179 -16.509 -8.272 1.00 1.00 H new ATOM 0 HB VAL A 12 57.612 -16.222 -6.455 1.00 1.00 H new ATOM 0 HG11 VAL A 12 58.845 -15.957 -8.587 1.00 1.00 H new ATOM 0 HG12 VAL A 12 58.070 -17.556 -8.495 1.00 1.00 H new ATOM 0 HG13 VAL A 12 57.347 -16.273 -9.495 1.00 1.00 H new ATOM 0 HG21 VAL A 12 57.759 -13.979 -7.499 1.00 1.00 H new ATOM 0 HG22 VAL A 12 56.266 -14.304 -8.412 1.00 1.00 H new ATOM 0 HG23 VAL A 12 56.215 -14.180 -6.637 1.00 1.00 H new ATOM 201 N THR A 13 56.248 -18.740 -6.134 1.00 1.00 N ATOM 202 CA THR A 13 56.510 -20.151 -5.945 1.00 1.00 C ATOM 203 C THR A 13 55.326 -20.950 -6.444 1.00 1.00 C ATOM 204 O THR A 13 55.482 -22.067 -6.939 1.00 1.00 O ATOM 205 CB THR A 13 56.754 -20.459 -4.464 1.00 1.00 C ATOM 206 OG1 THR A 13 57.732 -19.566 -3.951 1.00 1.00 O ATOM 207 CG2 THR A 13 57.243 -21.900 -4.318 1.00 1.00 C ATOM 0 H THR A 13 56.293 -18.182 -5.282 1.00 1.00 H new ATOM 0 HA THR A 13 57.403 -20.424 -6.507 1.00 1.00 H new ATOM 0 HB THR A 13 55.825 -20.336 -3.907 1.00 1.00 H new ATOM 0 HG1 THR A 13 57.888 -19.761 -3.003 1.00 1.00 H new ATOM 0 HG21 THR A 13 57.417 -22.120 -3.265 1.00 1.00 H new ATOM 0 HG22 THR A 13 56.489 -22.582 -4.712 1.00 1.00 H new ATOM 0 HG23 THR A 13 58.172 -22.027 -4.873 1.00 1.00 H new ATOM 215 N ARG A 14 54.133 -20.373 -6.317 1.00 1.00 N ATOM 216 CA ARG A 14 52.928 -21.070 -6.774 1.00 1.00 C ATOM 217 C ARG A 14 52.657 -20.791 -8.256 1.00 1.00 C ATOM 218 O ARG A 14 51.674 -21.287 -8.807 1.00 1.00 O ATOM 219 CB ARG A 14 51.704 -20.653 -5.950 1.00 1.00 C ATOM 220 CG ARG A 14 51.960 -20.879 -4.449 1.00 1.00 C ATOM 221 CD ARG A 14 51.823 -22.363 -4.091 1.00 1.00 C ATOM 222 NE ARG A 14 51.888 -22.532 -2.639 1.00 1.00 N ATOM 223 CZ ARG A 14 53.048 -22.705 -2.009 1.00 1.00 C ATOM 224 NH1 ARG A 14 54.166 -22.705 -2.681 1.00 1.00 N ATOM 225 NH2 ARG A 14 53.068 -22.867 -0.714 1.00 1.00 N ATOM 0 H ARG A 14 53.973 -19.450 -5.913 1.00 1.00 H new ATOM 0 HA ARG A 14 53.103 -22.137 -6.639 1.00 1.00 H new ATOM 0 HB2 ARG A 14 51.477 -19.603 -6.132 1.00 1.00 H new ATOM 0 HB3 ARG A 14 50.833 -21.227 -6.266 1.00 1.00 H new ATOM 0 HG2 ARG A 14 52.959 -20.528 -4.189 1.00 1.00 H new ATOM 0 HG3 ARG A 14 51.253 -20.292 -3.862 1.00 1.00 H new ATOM 0 HD2 ARG A 14 50.878 -22.752 -4.469 1.00 1.00 H new ATOM 0 HD3 ARG A 14 52.617 -22.936 -4.569 1.00 1.00 H new ATOM 0 HE ARG A 14 51.024 -22.517 -2.097 1.00 1.00 H new ATOM 0 HH11 ARG A 14 54.153 -22.572 -3.692 1.00 1.00 H new ATOM 0 HH12 ARG A 14 55.053 -22.838 -2.195 1.00 1.00 H new ATOM 0 HH21 ARG A 14 52.195 -22.861 -0.186 1.00 1.00 H new ATOM 0 HH22 ARG A 14 53.956 -23.000 -0.230 1.00 1.00 H new ATOM 239 N GLY A 15 53.521 -20.007 -8.912 1.00 1.00 N ATOM 240 CA GLY A 15 53.316 -19.714 -10.330 1.00 1.00 C ATOM 241 C GLY A 15 52.214 -18.680 -10.517 1.00 1.00 C ATOM 242 O GLY A 15 51.982 -18.208 -11.629 1.00 1.00 O ATOM 0 H GLY A 15 54.346 -19.576 -8.495 1.00 1.00 H new ATOM 0 HA2 GLY A 15 54.244 -19.346 -10.767 1.00 1.00 H new ATOM 0 HA3 GLY A 15 53.055 -20.630 -10.861 1.00 1.00 H new ATOM 246 N THR A 16 51.542 -18.328 -9.423 1.00 1.00 N ATOM 247 CA THR A 16 50.466 -17.340 -9.481 1.00 1.00 C ATOM 248 C THR A 16 49.258 -17.918 -10.210 1.00 1.00 C ATOM 249 O THR A 16 48.114 -17.652 -9.842 1.00 1.00 O ATOM 250 CB THR A 16 50.950 -16.070 -10.204 1.00 1.00 C ATOM 251 OG1 THR A 16 50.723 -16.214 -11.600 1.00 1.00 O ATOM 252 CG2 THR A 16 52.457 -15.843 -9.954 1.00 1.00 C ATOM 0 H THR A 16 51.721 -18.708 -8.493 1.00 1.00 H new ATOM 0 HA THR A 16 50.176 -17.082 -8.462 1.00 1.00 H new ATOM 0 HB THR A 16 50.398 -15.213 -9.819 1.00 1.00 H new ATOM 0 HG1 THR A 16 51.315 -16.908 -11.958 1.00 1.00 H new ATOM 0 HG21 THR A 16 52.780 -14.941 -10.473 1.00 1.00 H new ATOM 0 HG22 THR A 16 52.635 -15.730 -8.885 1.00 1.00 H new ATOM 0 HG23 THR A 16 53.021 -16.698 -10.327 1.00 1.00 H new ATOM 260 N GLY A 17 49.518 -18.712 -11.243 1.00 1.00 N ATOM 261 CA GLY A 17 48.438 -19.323 -12.012 1.00 1.00 C ATOM 262 C GLY A 17 47.566 -18.253 -12.651 1.00 1.00 C ATOM 263 O GLY A 17 47.232 -17.252 -12.015 1.00 1.00 O ATOM 0 H GLY A 17 50.457 -18.946 -11.565 1.00 1.00 H new ATOM 0 HA2 GLY A 17 48.855 -19.970 -12.784 1.00 1.00 H new ATOM 0 HA3 GLY A 17 47.832 -19.953 -11.361 1.00 1.00 H new ATOM 267 N ALA A 18 47.201 -18.467 -13.913 1.00 1.00 N ATOM 268 CA ALA A 18 46.362 -17.516 -14.646 1.00 1.00 C ATOM 269 C ALA A 18 45.049 -18.173 -15.058 1.00 1.00 C ATOM 270 O ALA A 18 44.491 -17.863 -16.110 1.00 1.00 O ATOM 271 CB ALA A 18 47.101 -17.029 -15.892 1.00 1.00 C ATOM 0 H ALA A 18 47.472 -19.290 -14.451 1.00 1.00 H new ATOM 0 HA ALA A 18 46.145 -16.669 -13.995 1.00 1.00 H new ATOM 0 HB1 ALA A 18 46.473 -16.322 -16.434 1.00 1.00 H new ATOM 0 HB2 ALA A 18 48.028 -16.538 -15.596 1.00 1.00 H new ATOM 0 HB3 ALA A 18 47.329 -17.879 -16.535 1.00 1.00 H new ATOM 277 N GLY A 19 44.562 -19.088 -14.221 1.00 1.00 N ATOM 278 CA GLY A 19 43.309 -19.792 -14.508 1.00 1.00 C ATOM 279 C GLY A 19 42.572 -20.166 -13.223 1.00 1.00 C ATOM 280 O GLY A 19 42.145 -21.308 -13.053 1.00 1.00 O ATOM 0 H GLY A 19 45.010 -19.359 -13.346 1.00 1.00 H new ATOM 0 HA2 GLY A 19 42.669 -19.162 -15.126 1.00 1.00 H new ATOM 0 HA3 GLY A 19 43.520 -20.693 -15.084 1.00 1.00 H new ATOM 284 N SER A 20 42.419 -19.193 -12.325 1.00 1.00 N ATOM 285 CA SER A 20 41.723 -19.421 -11.053 1.00 1.00 C ATOM 286 C SER A 20 40.260 -19.004 -11.154 1.00 1.00 C ATOM 287 O SER A 20 39.352 -19.799 -10.913 1.00 1.00 O ATOM 288 CB SER A 20 42.398 -18.621 -9.937 1.00 1.00 C ATOM 289 OG SER A 20 41.981 -17.264 -10.017 1.00 1.00 O ATOM 0 H SER A 20 42.765 -18.242 -12.451 1.00 1.00 H new ATOM 0 HA SER A 20 41.772 -20.486 -10.825 1.00 1.00 H new ATOM 0 HB2 SER A 20 42.136 -19.038 -8.965 1.00 1.00 H new ATOM 0 HB3 SER A 20 43.482 -18.687 -10.030 1.00 1.00 H new ATOM 0 HG SER A 20 42.409 -16.747 -9.303 1.00 1.00 H new ATOM 295 N ARG A 21 40.061 -17.747 -11.511 1.00 1.00 N ATOM 296 CA ARG A 21 38.718 -17.174 -11.658 1.00 1.00 C ATOM 297 C ARG A 21 37.916 -17.315 -10.352 1.00 1.00 C ATOM 298 O ARG A 21 38.070 -18.302 -9.634 1.00 1.00 O ATOM 299 CB ARG A 21 37.983 -17.884 -12.795 1.00 1.00 C ATOM 300 CG ARG A 21 38.595 -17.472 -14.134 1.00 1.00 C ATOM 301 CD ARG A 21 38.110 -18.420 -15.231 1.00 1.00 C ATOM 302 NE ARG A 21 36.656 -18.530 -15.195 1.00 1.00 N ATOM 303 CZ ARG A 21 35.881 -17.520 -15.575 1.00 1.00 C ATOM 304 NH1 ARG A 21 36.419 -16.404 -15.984 1.00 1.00 N ATOM 305 NH2 ARG A 21 34.583 -17.643 -15.537 1.00 1.00 N ATOM 0 H ARG A 21 40.817 -17.091 -11.708 1.00 1.00 H new ATOM 0 HA ARG A 21 38.815 -16.113 -11.888 1.00 1.00 H new ATOM 0 HB2 ARG A 21 38.053 -18.964 -12.668 1.00 1.00 H new ATOM 0 HB3 ARG A 21 36.924 -17.628 -12.773 1.00 1.00 H new ATOM 0 HG2 ARG A 21 38.313 -16.447 -14.374 1.00 1.00 H new ATOM 0 HG3 ARG A 21 39.683 -17.498 -14.072 1.00 1.00 H new ATOM 0 HD2 ARG A 21 38.430 -18.053 -16.206 1.00 1.00 H new ATOM 0 HD3 ARG A 21 38.560 -19.404 -15.097 1.00 1.00 H new ATOM 0 HE ARG A 21 36.227 -19.397 -14.873 1.00 1.00 H new ATOM 0 HH11 ARG A 21 37.434 -16.307 -16.012 1.00 1.00 H new ATOM 0 HH12 ARG A 21 35.825 -15.628 -16.276 1.00 1.00 H new ATOM 0 HH21 ARG A 21 34.163 -18.515 -15.215 1.00 1.00 H new ATOM 0 HH22 ARG A 21 33.988 -16.867 -15.829 1.00 1.00 H new ATOM 319 N PRO A 22 37.067 -16.359 -10.022 1.00 1.00 N ATOM 320 CA PRO A 22 36.249 -16.419 -8.770 1.00 1.00 C ATOM 321 C PRO A 22 35.144 -17.474 -8.839 1.00 1.00 C ATOM 322 O PRO A 22 35.306 -18.590 -8.343 1.00 1.00 O ATOM 323 CB PRO A 22 35.681 -14.994 -8.646 1.00 1.00 C ATOM 324 CG PRO A 22 35.607 -14.490 -10.052 1.00 1.00 C ATOM 325 CD PRO A 22 36.790 -15.127 -10.791 1.00 1.00 C ATOM 0 HA PRO A 22 36.839 -16.718 -7.903 1.00 1.00 H new ATOM 0 HB2 PRO A 22 34.698 -14.999 -8.175 1.00 1.00 H new ATOM 0 HB3 PRO A 22 36.325 -14.363 -8.033 1.00 1.00 H new ATOM 0 HG2 PRO A 22 34.661 -14.768 -10.517 1.00 1.00 H new ATOM 0 HG3 PRO A 22 35.669 -13.402 -10.081 1.00 1.00 H new ATOM 0 HD2 PRO A 22 36.540 -15.351 -11.828 1.00 1.00 H new ATOM 0 HD3 PRO A 22 37.655 -14.464 -10.808 1.00 1.00 H new ATOM 333 N ARG A 23 34.032 -17.113 -9.453 1.00 1.00 N ATOM 334 CA ARG A 23 32.897 -18.031 -9.586 1.00 1.00 C ATOM 335 C ARG A 23 32.670 -18.804 -8.290 1.00 1.00 C ATOM 336 O ARG A 23 33.267 -19.859 -8.071 1.00 1.00 O ATOM 337 CB ARG A 23 33.153 -19.014 -10.725 1.00 1.00 C ATOM 338 CG ARG A 23 31.922 -19.900 -10.928 1.00 1.00 C ATOM 339 CD ARG A 23 32.127 -20.780 -12.162 1.00 1.00 C ATOM 340 NE ARG A 23 32.163 -19.954 -13.362 1.00 1.00 N ATOM 341 CZ ARG A 23 32.356 -20.490 -14.562 1.00 1.00 C ATOM 342 NH1 ARG A 23 32.512 -21.780 -14.683 1.00 1.00 N ATOM 343 NH2 ARG A 23 32.390 -19.727 -15.621 1.00 1.00 N ATOM 0 H ARG A 23 33.883 -16.194 -9.869 1.00 1.00 H new ATOM 0 HA ARG A 23 32.006 -17.442 -9.804 1.00 1.00 H new ATOM 0 HB2 ARG A 23 33.378 -18.471 -11.643 1.00 1.00 H new ATOM 0 HB3 ARG A 23 34.023 -19.630 -10.498 1.00 1.00 H new ATOM 0 HG2 ARG A 23 31.759 -20.522 -10.048 1.00 1.00 H new ATOM 0 HG3 ARG A 23 31.032 -19.283 -11.052 1.00 1.00 H new ATOM 0 HD2 ARG A 23 33.057 -21.341 -12.069 1.00 1.00 H new ATOM 0 HD3 ARG A 23 31.321 -21.510 -12.237 1.00 1.00 H new ATOM 0 HE ARG A 23 32.038 -18.945 -13.279 1.00 1.00 H new ATOM 0 HH11 ARG A 23 32.486 -22.377 -13.856 1.00 1.00 H new ATOM 0 HH12 ARG A 23 32.660 -22.192 -15.604 1.00 1.00 H new ATOM 0 HH21 ARG A 23 32.268 -18.719 -15.527 1.00 1.00 H new ATOM 0 HH22 ARG A 23 32.538 -20.139 -16.542 1.00 1.00 H new ATOM 357 N GLY A 24 31.805 -18.265 -7.435 1.00 1.00 N ATOM 358 CA GLY A 24 31.495 -18.897 -6.149 1.00 1.00 C ATOM 359 C GLY A 24 29.997 -18.872 -5.870 1.00 1.00 C ATOM 360 O GLY A 24 29.190 -19.236 -6.726 1.00 1.00 O ATOM 0 H GLY A 24 31.305 -17.393 -7.606 1.00 1.00 H new ATOM 0 HA2 GLY A 24 31.850 -19.928 -6.152 1.00 1.00 H new ATOM 0 HA3 GLY A 24 32.025 -18.380 -5.349 1.00 1.00 H new ATOM 364 N GLN A 25 29.635 -18.448 -4.664 1.00 1.00 N ATOM 365 CA GLN A 25 28.233 -18.388 -4.275 1.00 1.00 C ATOM 366 C GLN A 25 27.457 -17.465 -5.211 1.00 1.00 C ATOM 367 O GLN A 25 27.281 -16.280 -4.930 1.00 1.00 O ATOM 368 CB GLN A 25 28.105 -17.889 -2.828 1.00 1.00 C ATOM 369 CG GLN A 25 29.203 -18.522 -1.944 1.00 1.00 C ATOM 370 CD GLN A 25 30.451 -17.639 -1.922 1.00 1.00 C ATOM 371 OE1 GLN A 25 30.625 -16.746 -2.856 1.00 1.00 O flip ATOM 372 NE2 GLN A 25 31.287 -17.767 -1.027 1.00 1.00 N flip ATOM 0 H GLN A 25 30.289 -18.143 -3.944 1.00 1.00 H new ATOM 0 HA GLN A 25 27.814 -19.392 -4.345 1.00 1.00 H new ATOM 0 HB2 GLN A 25 28.189 -16.803 -2.802 1.00 1.00 H new ATOM 0 HB3 GLN A 25 27.121 -18.142 -2.434 1.00 1.00 H new ATOM 0 HG2 GLN A 25 28.828 -18.656 -0.929 1.00 1.00 H new ATOM 0 HG3 GLN A 25 29.458 -19.512 -2.324 1.00 1.00 H new ATOM 0 HE21 GLN A 25 31.150 -18.466 -0.297 1.00 1.00 H new ATOM 0 HE22 GLN A 25 32.117 -17.174 -1.016 1.00 1.00 H new ATOM 381 N ASN A 26 26.995 -18.028 -6.327 1.00 1.00 N ATOM 382 CA ASN A 26 26.225 -17.258 -7.323 1.00 1.00 C ATOM 383 C ASN A 26 24.790 -17.770 -7.415 1.00 1.00 C ATOM 384 O ASN A 26 24.185 -17.752 -8.487 1.00 1.00 O ATOM 385 CB ASN A 26 26.883 -17.347 -8.708 1.00 1.00 C ATOM 386 CG ASN A 26 26.185 -16.389 -9.667 1.00 1.00 C ATOM 387 OD1 ASN A 26 25.823 -16.776 -10.778 1.00 1.00 O ATOM 388 ND2 ASN A 26 25.969 -15.156 -9.299 1.00 1.00 N ATOM 0 H ASN A 26 27.136 -19.009 -6.570 1.00 1.00 H new ATOM 0 HA ASN A 26 26.214 -16.218 -6.997 1.00 1.00 H new ATOM 0 HB2 ASN A 26 27.942 -17.098 -8.636 1.00 1.00 H new ATOM 0 HB3 ASN A 26 26.820 -18.367 -9.087 1.00 1.00 H new ATOM 0 HD21 ASN A 26 25.499 -14.510 -9.933 1.00 1.00 H new ATOM 0 HD22 ASN A 26 26.270 -14.839 -8.378 1.00 1.00 H new ATOM 395 N LYS A 27 24.251 -18.227 -6.284 1.00 1.00 N ATOM 396 CA LYS A 27 22.880 -18.748 -6.237 1.00 1.00 C ATOM 397 C LYS A 27 22.021 -17.924 -5.280 1.00 1.00 C ATOM 398 O LYS A 27 20.797 -18.056 -5.262 1.00 1.00 O ATOM 399 CB LYS A 27 22.904 -20.211 -5.767 1.00 1.00 C ATOM 400 CG LYS A 27 23.764 -20.351 -4.477 1.00 1.00 C ATOM 401 CD LYS A 27 25.003 -21.226 -4.731 1.00 1.00 C ATOM 402 CE LYS A 27 24.600 -22.701 -4.820 1.00 1.00 C ATOM 403 NZ LYS A 27 25.830 -23.541 -4.877 1.00 1.00 N ATOM 0 H LYS A 27 24.740 -18.248 -5.389 1.00 1.00 H new ATOM 0 HA LYS A 27 22.450 -18.684 -7.237 1.00 1.00 H new ATOM 0 HB2 LYS A 27 21.888 -20.554 -5.574 1.00 1.00 H new ATOM 0 HB3 LYS A 27 23.311 -20.846 -6.554 1.00 1.00 H new ATOM 0 HG2 LYS A 27 24.076 -19.364 -4.135 1.00 1.00 H new ATOM 0 HG3 LYS A 27 23.162 -20.789 -3.681 1.00 1.00 H new ATOM 0 HD2 LYS A 27 25.491 -20.918 -5.656 1.00 1.00 H new ATOM 0 HD3 LYS A 27 25.726 -21.087 -3.927 1.00 1.00 H new ATOM 0 HE2 LYS A 27 23.995 -22.978 -3.957 1.00 1.00 H new ATOM 0 HE3 LYS A 27 23.988 -22.871 -5.706 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 25.563 -24.544 -4.938 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 26.390 -23.281 -5.714 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 26.397 -23.385 -4.019 1.00 1.00 H new ATOM 417 N GLU A 28 22.670 -17.078 -4.481 1.00 1.00 N ATOM 418 CA GLU A 28 21.967 -16.238 -3.512 1.00 1.00 C ATOM 419 C GLU A 28 21.631 -14.876 -4.136 1.00 1.00 C ATOM 420 O GLU A 28 22.453 -14.286 -4.836 1.00 1.00 O ATOM 421 CB GLU A 28 22.836 -16.051 -2.248 1.00 1.00 C ATOM 422 CG GLU A 28 23.765 -17.256 -2.033 1.00 1.00 C ATOM 423 CD GLU A 28 22.957 -18.517 -1.731 1.00 1.00 C ATOM 424 OE1 GLU A 28 21.775 -18.535 -2.031 1.00 1.00 O ATOM 425 OE2 GLU A 28 23.536 -19.451 -1.200 1.00 1.00 O ATOM 0 H GLU A 28 23.683 -16.956 -4.486 1.00 1.00 H new ATOM 0 HA GLU A 28 21.036 -16.728 -3.228 1.00 1.00 H new ATOM 0 HB2 GLU A 28 23.430 -15.142 -2.342 1.00 1.00 H new ATOM 0 HB3 GLU A 28 22.194 -15.923 -1.377 1.00 1.00 H new ATOM 0 HG2 GLU A 28 24.375 -17.414 -2.922 1.00 1.00 H new ATOM 0 HG3 GLU A 28 24.449 -17.051 -1.210 1.00 1.00 H new ATOM 432 N ARG A 29 20.411 -14.396 -3.890 1.00 1.00 N ATOM 433 CA ARG A 29 19.967 -13.117 -4.449 1.00 1.00 C ATOM 434 C ARG A 29 20.916 -11.983 -4.047 1.00 1.00 C ATOM 435 O ARG A 29 21.249 -11.130 -4.869 1.00 1.00 O ATOM 436 CB ARG A 29 18.517 -12.787 -4.010 1.00 1.00 C ATOM 437 CG ARG A 29 17.759 -14.073 -3.640 1.00 1.00 C ATOM 438 CD ARG A 29 17.743 -15.049 -4.828 1.00 1.00 C ATOM 439 NE ARG A 29 16.591 -15.939 -4.728 1.00 1.00 N ATOM 440 CZ ARG A 29 15.365 -15.501 -4.985 1.00 1.00 C ATOM 441 NH1 ARG A 29 15.175 -14.250 -5.306 1.00 1.00 N ATOM 442 NH2 ARG A 29 14.350 -16.317 -4.911 1.00 1.00 N ATOM 0 H ARG A 29 19.717 -14.869 -3.312 1.00 1.00 H new ATOM 0 HA ARG A 29 19.982 -13.210 -5.535 1.00 1.00 H new ATOM 0 HB2 ARG A 29 18.535 -12.110 -3.156 1.00 1.00 H new ATOM 0 HB3 ARG A 29 17.996 -12.270 -4.816 1.00 1.00 H new ATOM 0 HG2 ARG A 29 18.232 -14.546 -2.779 1.00 1.00 H new ATOM 0 HG3 ARG A 29 16.737 -13.829 -3.348 1.00 1.00 H new ATOM 0 HD2 ARG A 29 17.703 -14.493 -5.765 1.00 1.00 H new ATOM 0 HD3 ARG A 29 18.664 -15.633 -4.842 1.00 1.00 H new ATOM 0 HE ARG A 29 16.730 -16.912 -4.457 1.00 1.00 H new ATOM 0 HH11 ARG A 29 15.968 -13.611 -5.359 1.00 1.00 H new ATOM 0 HH12 ARG A 29 14.233 -13.912 -5.504 1.00 1.00 H new ATOM 0 HH21 ARG A 29 14.498 -17.293 -4.655 1.00 1.00 H new ATOM 0 HH22 ARG A 29 13.408 -15.979 -5.109 1.00 1.00 H new ATOM 456 N PRO A 30 21.359 -11.957 -2.814 1.00 1.00 N ATOM 457 CA PRO A 30 22.297 -10.903 -2.318 1.00 1.00 C ATOM 458 C PRO A 30 23.691 -11.068 -2.938 1.00 1.00 C ATOM 459 O PRO A 30 23.997 -12.106 -3.524 1.00 1.00 O ATOM 460 CB PRO A 30 22.317 -11.116 -0.782 1.00 1.00 C ATOM 461 CG PRO A 30 21.201 -12.077 -0.491 1.00 1.00 C ATOM 462 CD PRO A 30 21.028 -12.910 -1.752 1.00 1.00 C ATOM 0 HA PRO A 30 21.985 -9.894 -2.589 1.00 1.00 H new ATOM 0 HB2 PRO A 30 23.276 -11.519 -0.455 1.00 1.00 H new ATOM 0 HB3 PRO A 30 22.170 -10.174 -0.254 1.00 1.00 H new ATOM 0 HG2 PRO A 30 21.442 -12.708 0.364 1.00 1.00 H new ATOM 0 HG3 PRO A 30 20.282 -11.545 -0.245 1.00 1.00 H new ATOM 0 HD2 PRO A 30 21.693 -13.774 -1.761 1.00 1.00 H new ATOM 0 HD3 PRO A 30 20.011 -13.289 -1.851 1.00 1.00 H new ATOM 470 N PRO A 31 24.527 -10.069 -2.827 1.00 1.00 N ATOM 471 CA PRO A 31 25.909 -10.110 -3.396 1.00 1.00 C ATOM 472 C PRO A 31 26.806 -11.102 -2.644 1.00 1.00 C ATOM 473 O PRO A 31 26.535 -11.437 -1.492 1.00 1.00 O ATOM 474 CB PRO A 31 26.411 -8.664 -3.234 1.00 1.00 C ATOM 475 CG PRO A 31 25.616 -8.102 -2.098 1.00 1.00 C ATOM 476 CD PRO A 31 24.251 -8.794 -2.145 1.00 1.00 C ATOM 0 HA PRO A 31 25.923 -10.450 -4.432 1.00 1.00 H new ATOM 0 HB2 PRO A 31 27.479 -8.639 -3.018 1.00 1.00 H new ATOM 0 HB3 PRO A 31 26.257 -8.088 -4.147 1.00 1.00 H new ATOM 0 HG2 PRO A 31 26.113 -8.288 -1.146 1.00 1.00 H new ATOM 0 HG3 PRO A 31 25.508 -7.022 -2.196 1.00 1.00 H new ATOM 0 HD2 PRO A 31 23.849 -8.954 -1.145 1.00 1.00 H new ATOM 0 HD3 PRO A 31 23.519 -8.199 -2.691 1.00 1.00 H new ATOM 484 N PRO A 32 27.859 -11.569 -3.269 1.00 1.00 N ATOM 485 CA PRO A 32 28.802 -12.535 -2.633 1.00 1.00 C ATOM 486 C PRO A 32 29.607 -11.881 -1.509 1.00 1.00 C ATOM 487 O PRO A 32 29.990 -10.717 -1.607 1.00 1.00 O ATOM 488 CB PRO A 32 29.709 -12.972 -3.794 1.00 1.00 C ATOM 489 CG PRO A 32 29.680 -11.825 -4.753 1.00 1.00 C ATOM 490 CD PRO A 32 28.277 -11.226 -4.643 1.00 1.00 C ATOM 0 HA PRO A 32 28.289 -13.372 -2.160 1.00 1.00 H new ATOM 0 HB2 PRO A 32 30.723 -13.174 -3.449 1.00 1.00 H new ATOM 0 HB3 PRO A 32 29.342 -13.887 -4.260 1.00 1.00 H new ATOM 0 HG2 PRO A 32 30.441 -11.086 -4.502 1.00 1.00 H new ATOM 0 HG3 PRO A 32 29.884 -12.160 -5.770 1.00 1.00 H new ATOM 0 HD2 PRO A 32 28.288 -10.148 -4.801 1.00 1.00 H new ATOM 0 HD3 PRO A 32 27.601 -11.650 -5.385 1.00 1.00 H new ATOM 498 N VAL A 33 29.873 -12.640 -0.451 1.00 1.00 N ATOM 499 CA VAL A 33 30.643 -12.116 0.669 1.00 1.00 C ATOM 500 C VAL A 33 30.959 -13.228 1.682 1.00 1.00 C ATOM 501 O VAL A 33 30.061 -13.690 2.382 1.00 1.00 O ATOM 502 CB VAL A 33 29.861 -10.992 1.365 1.00 1.00 C ATOM 503 CG1 VAL A 33 28.464 -11.479 1.788 1.00 1.00 C ATOM 504 CG2 VAL A 33 30.637 -10.526 2.603 1.00 1.00 C ATOM 0 H VAL A 33 29.571 -13.609 -0.346 1.00 1.00 H new ATOM 0 HA VAL A 33 31.582 -11.720 0.282 1.00 1.00 H new ATOM 0 HB VAL A 33 29.742 -10.164 0.666 1.00 1.00 H new ATOM 0 HG11 VAL A 33 27.929 -10.666 2.279 1.00 1.00 H new ATOM 0 HG12 VAL A 33 27.908 -11.800 0.907 1.00 1.00 H new ATOM 0 HG13 VAL A 33 28.564 -12.316 2.478 1.00 1.00 H new ATOM 0 HG21 VAL A 33 30.085 -9.728 3.100 1.00 1.00 H new ATOM 0 HG22 VAL A 33 30.762 -11.363 3.290 1.00 1.00 H new ATOM 0 HG23 VAL A 33 31.616 -10.155 2.300 1.00 1.00 H new ATOM 514 N PRO A 34 32.194 -13.672 1.792 1.00 1.00 N ATOM 515 CA PRO A 34 32.550 -14.742 2.764 1.00 1.00 C ATOM 516 C PRO A 34 32.669 -14.201 4.185 1.00 1.00 C ATOM 517 O PRO A 34 32.245 -13.084 4.481 1.00 1.00 O ATOM 518 CB PRO A 34 33.891 -15.276 2.248 1.00 1.00 C ATOM 519 CG PRO A 34 34.524 -14.121 1.532 1.00 1.00 C ATOM 520 CD PRO A 34 33.377 -13.228 1.023 1.00 1.00 C ATOM 0 HA PRO A 34 31.787 -15.518 2.826 1.00 1.00 H new ATOM 0 HB2 PRO A 34 34.519 -15.623 3.069 1.00 1.00 H new ATOM 0 HB3 PRO A 34 33.746 -16.123 1.578 1.00 1.00 H new ATOM 0 HG2 PRO A 34 35.179 -13.564 2.201 1.00 1.00 H new ATOM 0 HG3 PRO A 34 35.139 -14.471 0.702 1.00 1.00 H new ATOM 0 HD2 PRO A 34 33.589 -12.173 1.195 1.00 1.00 H new ATOM 0 HD3 PRO A 34 33.223 -13.352 -0.049 1.00 1.00 H new ATOM 528 N ASN A 35 33.243 -15.016 5.055 1.00 1.00 N ATOM 529 CA ASN A 35 33.428 -14.648 6.463 1.00 1.00 C ATOM 530 C ASN A 35 34.782 -15.158 6.977 1.00 1.00 C ATOM 531 O ASN A 35 35.648 -14.362 7.339 1.00 1.00 O ATOM 532 CB ASN A 35 32.283 -15.232 7.320 1.00 1.00 C ATOM 533 CG ASN A 35 31.249 -14.155 7.671 1.00 1.00 C ATOM 534 OD1 ASN A 35 30.049 -14.362 7.489 1.00 1.00 O ATOM 535 ND2 ASN A 35 31.648 -13.015 8.169 1.00 1.00 N ATOM 0 H ASN A 35 33.593 -15.944 4.816 1.00 1.00 H new ATOM 0 HA ASN A 35 33.412 -13.561 6.542 1.00 1.00 H new ATOM 0 HB2 ASN A 35 31.797 -16.044 6.778 1.00 1.00 H new ATOM 0 HB3 ASN A 35 32.692 -15.660 8.235 1.00 1.00 H new ATOM 0 HD21 ASN A 35 30.965 -12.296 8.407 1.00 1.00 H new ATOM 0 HD22 ASN A 35 32.642 -12.844 8.319 1.00 1.00 H new ATOM 542 N PRO A 36 34.985 -16.458 7.022 1.00 1.00 N ATOM 543 CA PRO A 36 36.269 -17.049 7.514 1.00 1.00 C ATOM 544 C PRO A 36 37.464 -16.550 6.708 1.00 1.00 C ATOM 545 O PRO A 36 38.606 -16.618 7.165 1.00 1.00 O ATOM 546 CB PRO A 36 36.064 -18.572 7.350 1.00 1.00 C ATOM 547 CG PRO A 36 34.943 -18.709 6.370 1.00 1.00 C ATOM 548 CD PRO A 36 34.033 -17.515 6.628 1.00 1.00 C ATOM 0 HA PRO A 36 36.490 -16.767 8.543 1.00 1.00 H new ATOM 0 HB2 PRO A 36 36.970 -19.055 6.983 1.00 1.00 H new ATOM 0 HB3 PRO A 36 35.816 -19.041 8.302 1.00 1.00 H new ATOM 0 HG2 PRO A 36 35.314 -18.706 5.345 1.00 1.00 H new ATOM 0 HG3 PRO A 36 34.409 -19.648 6.513 1.00 1.00 H new ATOM 0 HD2 PRO A 36 33.467 -17.238 5.739 1.00 1.00 H new ATOM 0 HD3 PRO A 36 33.309 -17.721 7.416 1.00 1.00 H new ATOM 556 N ASP A 37 37.194 -16.042 5.517 1.00 1.00 N ATOM 557 CA ASP A 37 38.261 -15.529 4.673 1.00 1.00 C ATOM 558 C ASP A 37 38.858 -14.276 5.299 1.00 1.00 C ATOM 559 O ASP A 37 39.977 -13.883 4.969 1.00 1.00 O ATOM 560 CB ASP A 37 37.731 -15.198 3.277 1.00 1.00 C ATOM 561 CG ASP A 37 37.035 -16.416 2.680 1.00 1.00 C ATOM 562 OD1 ASP A 37 37.109 -17.473 3.285 1.00 1.00 O ATOM 563 OD2 ASP A 37 36.434 -16.275 1.626 1.00 1.00 O ATOM 0 H ASP A 37 36.258 -15.974 5.116 1.00 1.00 H new ATOM 0 HA ASP A 37 39.030 -16.296 4.585 1.00 1.00 H new ATOM 0 HB2 ASP A 37 37.034 -14.362 3.333 1.00 1.00 H new ATOM 0 HB3 ASP A 37 38.552 -14.886 2.632 1.00 1.00 H new ATOM 568 N TYR A 38 38.102 -13.648 6.209 1.00 1.00 N ATOM 569 CA TYR A 38 38.567 -12.429 6.882 1.00 1.00 C ATOM 570 C TYR A 38 38.899 -12.721 8.348 1.00 1.00 C ATOM 571 O TYR A 38 38.468 -12.000 9.248 1.00 1.00 O ATOM 572 CB TYR A 38 37.488 -11.318 6.782 1.00 1.00 C ATOM 573 CG TYR A 38 38.145 -9.969 6.540 1.00 1.00 C ATOM 574 CD1 TYR A 38 39.159 -9.524 7.395 1.00 1.00 C ATOM 575 CD2 TYR A 38 37.744 -9.171 5.458 1.00 1.00 C ATOM 576 CE1 TYR A 38 39.773 -8.287 7.172 1.00 1.00 C ATOM 577 CE2 TYR A 38 38.357 -7.932 5.236 1.00 1.00 C ATOM 578 CZ TYR A 38 39.373 -7.491 6.093 1.00 1.00 C ATOM 579 OH TYR A 38 39.981 -6.272 5.873 1.00 1.00 O ATOM 0 H TYR A 38 37.174 -13.961 6.494 1.00 1.00 H new ATOM 0 HA TYR A 38 39.473 -12.081 6.387 1.00 1.00 H new ATOM 0 HB2 TYR A 38 36.796 -11.545 5.971 1.00 1.00 H new ATOM 0 HB3 TYR A 38 36.902 -11.286 7.701 1.00 1.00 H new ATOM 0 HD1 TYR A 38 39.468 -10.137 8.229 1.00 1.00 H new ATOM 0 HD2 TYR A 38 36.962 -9.513 4.796 1.00 1.00 H new ATOM 0 HE1 TYR A 38 40.556 -7.946 7.833 1.00 1.00 H new ATOM 0 HE2 TYR A 38 38.047 -7.317 4.404 1.00 1.00 H new ATOM 0 HH TYR A 38 39.586 -5.848 5.083 1.00 1.00 H new ATOM 589 N GLU A 39 39.678 -13.781 8.581 1.00 1.00 N ATOM 590 CA GLU A 39 40.074 -14.157 9.946 1.00 1.00 C ATOM 591 C GLU A 39 41.600 -14.254 10.068 1.00 1.00 C ATOM 592 O GLU A 39 42.129 -15.264 10.532 1.00 1.00 O ATOM 593 CB GLU A 39 39.442 -15.504 10.331 1.00 1.00 C ATOM 594 CG GLU A 39 39.406 -15.646 11.858 1.00 1.00 C ATOM 595 CD GLU A 39 38.370 -14.694 12.447 1.00 1.00 C ATOM 596 OE1 GLU A 39 37.411 -14.392 11.755 1.00 1.00 O ATOM 597 OE2 GLU A 39 38.550 -14.281 13.581 1.00 1.00 O ATOM 0 H GLU A 39 40.046 -14.391 7.851 1.00 1.00 H new ATOM 0 HA GLU A 39 39.718 -13.382 10.624 1.00 1.00 H new ATOM 0 HB2 GLU A 39 38.432 -15.570 9.927 1.00 1.00 H new ATOM 0 HB3 GLU A 39 40.014 -16.322 9.894 1.00 1.00 H new ATOM 0 HG2 GLU A 39 39.164 -16.673 12.130 1.00 1.00 H new ATOM 0 HG3 GLU A 39 40.390 -15.429 12.275 1.00 1.00 H new ATOM 604 N PRO A 40 42.308 -13.226 9.669 1.00 1.00 N ATOM 605 CA PRO A 40 43.806 -13.187 9.742 1.00 1.00 C ATOM 606 C PRO A 40 44.324 -13.155 11.181 1.00 1.00 C ATOM 607 O PRO A 40 45.432 -12.688 11.444 1.00 1.00 O ATOM 608 CB PRO A 40 44.174 -11.896 8.988 1.00 1.00 C ATOM 609 CG PRO A 40 42.957 -11.031 9.080 1.00 1.00 C ATOM 610 CD PRO A 40 41.759 -11.984 9.099 1.00 1.00 C ATOM 0 HA PRO A 40 44.257 -14.081 9.311 1.00 1.00 H new ATOM 0 HB2 PRO A 40 45.039 -11.409 9.439 1.00 1.00 H new ATOM 0 HB3 PRO A 40 44.431 -12.105 7.950 1.00 1.00 H new ATOM 0 HG2 PRO A 40 42.982 -10.418 9.981 1.00 1.00 H new ATOM 0 HG3 PRO A 40 42.899 -10.349 8.232 1.00 1.00 H new ATOM 0 HD2 PRO A 40 40.944 -11.591 9.707 1.00 1.00 H new ATOM 0 HD3 PRO A 40 41.360 -12.145 8.098 1.00 1.00 H new ATOM 618 N ILE A 41 43.509 -13.648 12.104 1.00 1.00 N ATOM 619 CA ILE A 41 43.872 -13.679 13.523 1.00 1.00 C ATOM 620 C ILE A 41 44.410 -15.051 13.920 1.00 1.00 C ATOM 621 O ILE A 41 44.772 -15.275 15.075 1.00 1.00 O ATOM 622 CB ILE A 41 42.643 -13.334 14.382 1.00 1.00 C ATOM 623 CG1 ILE A 41 42.065 -11.940 13.963 1.00 1.00 C ATOM 624 CG2 ILE A 41 43.042 -13.320 15.874 1.00 1.00 C ATOM 625 CD1 ILE A 41 40.644 -12.093 13.400 1.00 1.00 C ATOM 0 H ILE A 41 42.588 -14.034 11.899 1.00 1.00 H new ATOM 0 HA ILE A 41 44.656 -12.941 13.693 1.00 1.00 H new ATOM 0 HB ILE A 41 41.873 -14.089 14.225 1.00 1.00 H new ATOM 0 HG12 ILE A 41 42.051 -11.272 14.824 1.00 1.00 H new ATOM 0 HG13 ILE A 41 42.712 -11.482 13.215 1.00 1.00 H new ATOM 0 HG21 ILE A 41 42.171 -13.075 16.481 1.00 1.00 H new ATOM 0 HG22 ILE A 41 43.419 -14.302 16.159 1.00 1.00 H new ATOM 0 HG23 ILE A 41 43.818 -12.572 16.036 1.00 1.00 H new ATOM 0 HD11 ILE A 41 40.259 -11.114 13.114 1.00 1.00 H new ATOM 0 HD12 ILE A 41 40.667 -12.743 12.526 1.00 1.00 H new ATOM 0 HD13 ILE A 41 39.997 -12.530 14.160 1.00 1.00 H new ATOM 637 N ARG A 42 44.468 -15.961 12.956 1.00 1.00 N ATOM 638 CA ARG A 42 44.972 -17.311 13.214 1.00 1.00 C ATOM 639 C ARG A 42 46.495 -17.344 13.110 1.00 1.00 C ATOM 640 O ARG A 42 47.045 -17.607 12.041 1.00 1.00 O ATOM 641 CB ARG A 42 44.382 -18.297 12.196 1.00 1.00 C ATOM 642 CG ARG A 42 44.581 -17.762 10.749 1.00 1.00 C ATOM 643 CD ARG A 42 45.231 -18.832 9.863 1.00 1.00 C ATOM 644 NE ARG A 42 45.496 -18.290 8.535 1.00 1.00 N ATOM 645 CZ ARG A 42 46.519 -17.469 8.323 1.00 1.00 C ATOM 646 NH1 ARG A 42 47.288 -17.115 9.318 1.00 1.00 N ATOM 647 NH2 ARG A 42 46.753 -17.009 7.125 1.00 1.00 N ATOM 0 H ARG A 42 44.175 -15.794 11.993 1.00 1.00 H new ATOM 0 HA ARG A 42 44.673 -17.598 14.222 1.00 1.00 H new ATOM 0 HB2 ARG A 42 44.863 -19.270 12.301 1.00 1.00 H new ATOM 0 HB3 ARG A 42 43.320 -18.443 12.394 1.00 1.00 H new ATOM 0 HG2 ARG A 42 43.619 -17.469 10.328 1.00 1.00 H new ATOM 0 HG3 ARG A 42 45.206 -16.869 10.768 1.00 1.00 H new ATOM 0 HD2 ARG A 42 46.161 -19.175 10.317 1.00 1.00 H new ATOM 0 HD3 ARG A 42 44.575 -19.699 9.786 1.00 1.00 H new ATOM 0 HE ARG A 42 44.887 -18.545 7.758 1.00 1.00 H new ATOM 0 HH11 ARG A 42 47.103 -17.469 10.257 1.00 1.00 H new ATOM 0 HH12 ARG A 42 48.074 -16.485 9.156 1.00 1.00 H new ATOM 0 HH21 ARG A 42 46.150 -17.279 6.348 1.00 1.00 H new ATOM 0 HH22 ARG A 42 47.539 -16.379 6.965 1.00 1.00 H new ATOM 661 N LYS A 43 47.175 -17.079 14.224 1.00 1.00 N ATOM 662 CA LYS A 43 48.636 -17.085 14.232 1.00 1.00 C ATOM 663 C LYS A 43 49.168 -16.940 15.663 1.00 1.00 C ATOM 664 O LYS A 43 48.810 -15.995 16.366 1.00 1.00 O ATOM 665 CB LYS A 43 49.162 -15.930 13.372 1.00 1.00 C ATOM 666 CG LYS A 43 50.693 -16.001 13.283 1.00 1.00 C ATOM 667 CD LYS A 43 51.231 -14.852 12.414 1.00 1.00 C ATOM 668 CE LYS A 43 51.052 -15.175 10.925 1.00 1.00 C ATOM 669 NZ LYS A 43 51.777 -14.156 10.114 1.00 1.00 N ATOM 0 H LYS A 43 46.744 -16.860 15.122 1.00 1.00 H new ATOM 0 HA LYS A 43 48.981 -18.035 13.823 1.00 1.00 H new ATOM 0 HB2 LYS A 43 48.728 -15.982 12.373 1.00 1.00 H new ATOM 0 HB3 LYS A 43 48.858 -14.976 13.803 1.00 1.00 H new ATOM 0 HG2 LYS A 43 51.125 -15.944 14.282 1.00 1.00 H new ATOM 0 HG3 LYS A 43 50.995 -16.959 12.859 1.00 1.00 H new ATOM 0 HD2 LYS A 43 50.707 -13.928 12.657 1.00 1.00 H new ATOM 0 HD3 LYS A 43 52.286 -14.687 12.632 1.00 1.00 H new ATOM 0 HE2 LYS A 43 51.436 -16.172 10.708 1.00 1.00 H new ATOM 0 HE3 LYS A 43 49.993 -15.178 10.666 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 51.660 -14.369 9.103 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 51.390 -13.212 10.316 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 52.788 -14.175 10.357 1.00 1.00 H new ATOM 683 N GLY A 44 50.023 -17.870 16.094 1.00 1.00 N ATOM 684 CA GLY A 44 50.583 -17.800 17.449 1.00 1.00 C ATOM 685 C GLY A 44 51.428 -16.547 17.629 1.00 1.00 C ATOM 686 O GLY A 44 51.279 -15.818 18.609 1.00 1.00 O ATOM 0 H GLY A 44 50.339 -18.666 15.539 1.00 1.00 H new ATOM 0 HA2 GLY A 44 49.775 -17.805 18.180 1.00 1.00 H new ATOM 0 HA3 GLY A 44 51.192 -18.684 17.640 1.00 1.00 H new ATOM 690 N GLN A 45 52.318 -16.307 16.677 1.00 1.00 N ATOM 691 CA GLN A 45 53.194 -15.140 16.742 1.00 1.00 C ATOM 692 C GLN A 45 53.933 -15.116 18.072 1.00 1.00 C ATOM 693 O GLN A 45 53.540 -14.415 19.006 1.00 1.00 O ATOM 694 CB GLN A 45 52.374 -13.859 16.598 1.00 1.00 C ATOM 695 CG GLN A 45 53.306 -12.675 16.333 1.00 1.00 C ATOM 696 CD GLN A 45 53.801 -12.713 14.890 1.00 1.00 C ATOM 697 OE1 GLN A 45 54.804 -13.485 14.579 1.00 1.00 O flip ATOM 698 NE2 GLN A 45 53.246 -12.038 14.023 1.00 1.00 N flip ATOM 0 H GLN A 45 52.454 -16.897 15.856 1.00 1.00 H new ATOM 0 HA GLN A 45 53.915 -15.201 15.927 1.00 1.00 H new ATOM 0 HB2 GLN A 45 51.661 -13.963 15.780 1.00 1.00 H new ATOM 0 HB3 GLN A 45 51.796 -13.683 17.505 1.00 1.00 H new ATOM 0 HG2 GLN A 45 52.781 -11.739 16.521 1.00 1.00 H new ATOM 0 HG3 GLN A 45 54.153 -12.708 17.018 1.00 1.00 H new ATOM 0 HE21 GLN A 45 52.461 -11.435 14.271 1.00 1.00 H new ATOM 0 HE22 GLN A 45 53.571 -12.082 13.057 1.00 1.00 H new ATOM 707 N ARG A 46 55.003 -15.891 18.153 1.00 1.00 N ATOM 708 CA ARG A 46 55.795 -15.960 19.375 1.00 1.00 C ATOM 709 C ARG A 46 57.099 -16.719 19.137 1.00 1.00 C ATOM 710 O ARG A 46 58.095 -16.486 19.819 1.00 1.00 O ATOM 711 CB ARG A 46 54.987 -16.626 20.509 1.00 1.00 C ATOM 712 CG ARG A 46 54.189 -17.847 19.989 1.00 1.00 C ATOM 713 CD ARG A 46 55.085 -19.108 19.882 1.00 1.00 C ATOM 714 NE ARG A 46 55.077 -19.613 18.510 1.00 1.00 N ATOM 715 CZ ARG A 46 54.123 -20.432 18.073 1.00 1.00 C ATOM 716 NH1 ARG A 46 53.147 -20.782 18.862 1.00 1.00 N ATOM 717 NH2 ARG A 46 54.163 -20.881 16.850 1.00 1.00 N ATOM 0 H ARG A 46 55.343 -16.479 17.392 1.00 1.00 H new ATOM 0 HA ARG A 46 56.041 -14.941 19.675 1.00 1.00 H new ATOM 0 HB2 ARG A 46 55.663 -16.942 21.303 1.00 1.00 H new ATOM 0 HB3 ARG A 46 54.301 -15.900 20.945 1.00 1.00 H new ATOM 0 HG2 ARG A 46 53.353 -18.049 20.659 1.00 1.00 H new ATOM 0 HG3 ARG A 46 53.765 -17.617 19.012 1.00 1.00 H new ATOM 0 HD2 ARG A 46 56.104 -18.866 20.183 1.00 1.00 H new ATOM 0 HD3 ARG A 46 54.725 -19.879 20.564 1.00 1.00 H new ATOM 0 HE ARG A 46 55.821 -19.331 17.872 1.00 1.00 H new ATOM 0 HH11 ARG A 46 53.112 -20.428 19.818 1.00 1.00 H new ATOM 0 HH12 ARG A 46 52.418 -21.410 18.524 1.00 1.00 H new ATOM 0 HH21 ARG A 46 54.924 -20.605 16.230 1.00 1.00 H new ATOM 0 HH22 ARG A 46 53.433 -21.509 16.513 1.00 1.00 H new ATOM 731 N ASP A 47 57.086 -17.624 18.164 1.00 1.00 N ATOM 732 CA ASP A 47 58.272 -18.411 17.837 1.00 1.00 C ATOM 733 C ASP A 47 59.086 -17.724 16.749 1.00 1.00 C ATOM 734 O ASP A 47 60.145 -18.209 16.349 1.00 1.00 O ATOM 735 CB ASP A 47 57.853 -19.799 17.354 1.00 1.00 C ATOM 736 CG ASP A 47 56.890 -19.668 16.180 1.00 1.00 C ATOM 737 OD1 ASP A 47 56.523 -18.548 15.864 1.00 1.00 O ATOM 738 OD2 ASP A 47 56.531 -20.688 15.617 1.00 1.00 O ATOM 0 H ASP A 47 56.270 -17.831 17.589 1.00 1.00 H new ATOM 0 HA ASP A 47 58.885 -18.502 18.734 1.00 1.00 H new ATOM 0 HB2 ASP A 47 58.731 -20.370 17.054 1.00 1.00 H new ATOM 0 HB3 ASP A 47 57.378 -20.349 18.166 1.00 1.00 H new ATOM 743 N LEU A 48 58.587 -16.588 16.278 1.00 1.00 N ATOM 744 CA LEU A 48 59.282 -15.835 15.242 1.00 1.00 C ATOM 745 C LEU A 48 60.624 -15.341 15.770 1.00 1.00 C ATOM 746 O LEU A 48 61.600 -15.249 15.025 1.00 1.00 O ATOM 747 CB LEU A 48 58.428 -14.645 14.760 1.00 1.00 C ATOM 748 CG LEU A 48 58.911 -14.166 13.373 1.00 1.00 C ATOM 749 CD1 LEU A 48 58.243 -14.987 12.261 1.00 1.00 C ATOM 750 CD2 LEU A 48 58.553 -12.686 13.186 1.00 1.00 C ATOM 0 H LEU A 48 57.711 -16.171 16.594 1.00 1.00 H new ATOM 0 HA LEU A 48 59.454 -16.496 14.392 1.00 1.00 H new ATOM 0 HB2 LEU A 48 57.380 -14.939 14.706 1.00 1.00 H new ATOM 0 HB3 LEU A 48 58.493 -13.827 15.478 1.00 1.00 H new ATOM 0 HG LEU A 48 59.991 -14.298 13.316 1.00 1.00 H new ATOM 0 HD11 LEU A 48 58.594 -14.637 11.290 1.00 1.00 H new ATOM 0 HD12 LEU A 48 58.499 -16.040 12.382 1.00 1.00 H new ATOM 0 HD13 LEU A 48 57.161 -14.868 12.321 1.00 1.00 H new ATOM 0 HD21 LEU A 48 58.895 -12.350 12.207 1.00 1.00 H new ATOM 0 HD22 LEU A 48 57.472 -12.561 13.256 1.00 1.00 H new ATOM 0 HD23 LEU A 48 59.037 -12.094 13.962 1.00 1.00 H new ATOM 762 N TYR A 49 60.660 -15.012 17.059 1.00 1.00 N ATOM 763 CA TYR A 49 61.893 -14.512 17.668 1.00 1.00 C ATOM 764 C TYR A 49 62.982 -15.589 17.641 1.00 1.00 C ATOM 765 O TYR A 49 64.139 -15.301 17.328 1.00 1.00 O ATOM 766 CB TYR A 49 61.641 -14.029 19.124 1.00 1.00 C ATOM 767 CG TYR A 49 62.597 -12.911 19.483 1.00 1.00 C ATOM 768 CD1 TYR A 49 63.887 -13.203 19.942 1.00 1.00 C ATOM 769 CD2 TYR A 49 62.183 -11.579 19.359 1.00 1.00 C ATOM 770 CE1 TYR A 49 64.761 -12.161 20.277 1.00 1.00 C ATOM 771 CE2 TYR A 49 63.056 -10.539 19.695 1.00 1.00 C ATOM 772 CZ TYR A 49 64.345 -10.829 20.153 1.00 1.00 C ATOM 773 OH TYR A 49 65.207 -9.802 20.484 1.00 1.00 O ATOM 0 H TYR A 49 59.865 -15.080 17.694 1.00 1.00 H new ATOM 0 HA TYR A 49 62.235 -13.658 17.083 1.00 1.00 H new ATOM 0 HB2 TYR A 49 60.612 -13.683 19.226 1.00 1.00 H new ATOM 0 HB3 TYR A 49 61.768 -14.861 19.817 1.00 1.00 H new ATOM 0 HD1 TYR A 49 64.208 -14.230 20.038 1.00 1.00 H new ATOM 0 HD2 TYR A 49 61.188 -11.354 19.003 1.00 1.00 H new ATOM 0 HE1 TYR A 49 65.756 -12.385 20.631 1.00 1.00 H new ATOM 0 HE2 TYR A 49 62.735 -9.512 19.601 1.00 1.00 H new ATOM 0 HH TYR A 49 64.761 -8.941 20.339 1.00 1.00 H new ATOM 783 N SER A 50 62.610 -16.826 17.971 1.00 1.00 N ATOM 784 CA SER A 50 63.568 -17.926 17.979 1.00 1.00 C ATOM 785 C SER A 50 64.093 -18.200 16.575 1.00 1.00 C ATOM 786 O SER A 50 65.286 -18.423 16.384 1.00 1.00 O ATOM 787 CB SER A 50 62.905 -19.188 18.528 1.00 1.00 C ATOM 788 OG SER A 50 63.861 -20.239 18.580 1.00 1.00 O ATOM 0 H SER A 50 61.660 -17.088 18.234 1.00 1.00 H new ATOM 0 HA SER A 50 64.406 -17.643 18.616 1.00 1.00 H new ATOM 0 HB2 SER A 50 62.503 -18.997 19.523 1.00 1.00 H new ATOM 0 HB3 SER A 50 62.066 -19.476 17.895 1.00 1.00 H new ATOM 0 HG SER A 50 63.438 -21.049 18.933 1.00 1.00 H new ATOM 794 N GLY A 51 63.191 -18.186 15.601 1.00 1.00 N ATOM 795 CA GLY A 51 63.572 -18.444 14.210 1.00 1.00 C ATOM 796 C GLY A 51 64.281 -17.237 13.605 1.00 1.00 C ATOM 797 O GLY A 51 64.656 -17.247 12.430 1.00 1.00 O ATOM 0 H GLY A 51 62.198 -18.001 15.742 1.00 1.00 H new ATOM 0 HA2 GLY A 51 64.226 -19.315 14.164 1.00 1.00 H new ATOM 0 HA3 GLY A 51 62.684 -18.680 13.624 1.00 1.00 H new ATOM 801 N LEU A 52 64.451 -16.190 14.410 1.00 1.00 N ATOM 802 CA LEU A 52 65.110 -14.968 13.934 1.00 1.00 C ATOM 803 C LEU A 52 66.632 -15.136 13.947 1.00 1.00 C ATOM 804 O LEU A 52 67.358 -14.322 13.377 1.00 1.00 O ATOM 805 CB LEU A 52 64.687 -13.744 14.797 1.00 1.00 C ATOM 806 CG LEU A 52 64.344 -12.524 13.912 1.00 1.00 C ATOM 807 CD1 LEU A 52 65.575 -12.109 13.093 1.00 1.00 C ATOM 808 CD2 LEU A 52 63.160 -12.853 12.968 1.00 1.00 C ATOM 0 H LEU A 52 64.147 -16.159 15.383 1.00 1.00 H new ATOM 0 HA LEU A 52 64.794 -14.788 12.907 1.00 1.00 H new ATOM 0 HB2 LEU A 52 63.823 -14.008 15.407 1.00 1.00 H new ATOM 0 HB3 LEU A 52 65.494 -13.483 15.482 1.00 1.00 H new ATOM 0 HG LEU A 52 64.050 -11.696 14.557 1.00 1.00 H new ATOM 0 HD11 LEU A 52 65.326 -11.249 12.472 1.00 1.00 H new ATOM 0 HD12 LEU A 52 66.389 -11.845 13.768 1.00 1.00 H new ATOM 0 HD13 LEU A 52 65.885 -12.938 12.457 1.00 1.00 H new ATOM 0 HD21 LEU A 52 62.933 -11.983 12.353 1.00 1.00 H new ATOM 0 HD22 LEU A 52 63.429 -13.691 12.325 1.00 1.00 H new ATOM 0 HD23 LEU A 52 62.284 -13.117 13.561 1.00 1.00 H new ATOM 820 N ASN A 53 67.108 -16.195 14.597 1.00 1.00 N ATOM 821 CA ASN A 53 68.550 -16.457 14.666 1.00 1.00 C ATOM 822 C ASN A 53 69.220 -16.162 13.333 1.00 1.00 C ATOM 823 O ASN A 53 70.391 -15.780 13.296 1.00 1.00 O ATOM 824 CB ASN A 53 68.820 -17.919 15.056 1.00 1.00 C ATOM 825 CG ASN A 53 68.016 -18.841 14.149 1.00 1.00 C ATOM 826 OD1 ASN A 53 68.493 -19.247 13.089 1.00 1.00 O ATOM 827 ND2 ASN A 53 66.809 -19.183 14.496 1.00 1.00 N ATOM 0 H ASN A 53 66.527 -16.881 15.080 1.00 1.00 H new ATOM 0 HA ASN A 53 68.967 -15.799 15.428 1.00 1.00 H new ATOM 0 HB2 ASN A 53 69.884 -18.140 14.967 1.00 1.00 H new ATOM 0 HB3 ASN A 53 68.546 -18.086 16.098 1.00 1.00 H new ATOM 0 HD21 ASN A 53 66.256 -19.789 13.889 1.00 1.00 H new ATOM 0 HD22 ASN A 53 66.416 -18.845 15.375 1.00 1.00 H new ATOM 834 N GLN A 54 68.481 -16.343 12.237 1.00 1.00 N ATOM 835 CA GLN A 54 69.035 -16.100 10.907 1.00 1.00 C ATOM 836 C GLN A 54 70.423 -16.724 10.786 1.00 1.00 C ATOM 837 O GLN A 54 71.154 -16.452 9.833 1.00 1.00 O ATOM 838 CB GLN A 54 69.108 -14.592 10.634 1.00 1.00 C ATOM 839 CG GLN A 54 67.709 -14.060 10.297 1.00 1.00 C ATOM 840 CD GLN A 54 67.738 -12.539 10.182 1.00 1.00 C ATOM 841 OE1 GLN A 54 68.480 -11.875 10.905 1.00 1.00 O ATOM 842 NE2 GLN A 54 66.973 -11.945 9.307 1.00 1.00 N ATOM 0 H GLN A 54 67.509 -16.653 12.244 1.00 1.00 H new ATOM 0 HA GLN A 54 68.381 -16.562 10.167 1.00 1.00 H new ATOM 0 HB2 GLN A 54 69.504 -14.073 11.507 1.00 1.00 H new ATOM 0 HB3 GLN A 54 69.791 -14.395 9.808 1.00 1.00 H new ATOM 0 HG2 GLN A 54 67.362 -14.496 9.360 1.00 1.00 H new ATOM 0 HG3 GLN A 54 67.002 -14.360 11.070 1.00 1.00 H new ATOM 0 HE21 GLN A 54 66.359 -12.497 8.709 1.00 1.00 H new ATOM 0 HE22 GLN A 54 66.990 -10.929 9.222 1.00 1.00 H new ATOM 851 N ARG A 55 70.789 -17.558 11.763 1.00 1.00 N ATOM 852 CA ARG A 55 72.100 -18.202 11.745 1.00 1.00 C ATOM 853 C ARG A 55 73.205 -17.157 11.612 1.00 1.00 C ATOM 854 O ARG A 55 73.426 -16.609 10.531 1.00 1.00 O ATOM 855 CB ARG A 55 72.175 -19.207 10.584 1.00 1.00 C ATOM 856 CG ARG A 55 73.632 -19.613 10.326 1.00 1.00 C ATOM 857 CD ARG A 55 73.678 -20.852 9.433 1.00 1.00 C ATOM 858 NE ARG A 55 75.002 -20.983 8.836 1.00 1.00 N ATOM 859 CZ ARG A 55 75.320 -20.314 7.732 1.00 1.00 C ATOM 860 NH1 ARG A 55 74.442 -19.522 7.180 1.00 1.00 N ATOM 861 NH2 ARG A 55 76.505 -20.443 7.204 1.00 1.00 N ATOM 0 H ARG A 55 70.205 -17.799 12.564 1.00 1.00 H new ATOM 0 HA ARG A 55 72.241 -18.736 12.685 1.00 1.00 H new ATOM 0 HB2 ARG A 55 71.580 -20.090 10.819 1.00 1.00 H new ATOM 0 HB3 ARG A 55 71.748 -18.766 9.683 1.00 1.00 H new ATOM 0 HG2 ARG A 55 74.168 -18.792 9.851 1.00 1.00 H new ATOM 0 HG3 ARG A 55 74.134 -19.817 11.272 1.00 1.00 H new ATOM 0 HD2 ARG A 55 73.443 -21.742 10.018 1.00 1.00 H new ATOM 0 HD3 ARG A 55 72.923 -20.776 8.651 1.00 1.00 H new ATOM 0 HE ARG A 55 75.692 -21.595 9.271 1.00 1.00 H new ATOM 0 HH11 ARG A 55 73.516 -19.418 7.596 1.00 1.00 H new ATOM 0 HH12 ARG A 55 74.681 -19.007 6.333 1.00 1.00 H new ATOM 0 HH21 ARG A 55 77.192 -21.059 7.638 1.00 1.00 H new ATOM 0 HH22 ARG A 55 76.745 -19.928 6.357 1.00 1.00 H new ATOM 875 N ALA A 56 73.900 -16.899 12.721 1.00 1.00 N ATOM 876 CA ALA A 56 74.998 -15.921 12.729 1.00 1.00 C ATOM 877 C ALA A 56 74.675 -14.739 11.822 1.00 1.00 C ATOM 878 O ALA A 56 75.382 -14.476 10.848 1.00 1.00 O ATOM 879 CB ALA A 56 76.291 -16.585 12.258 1.00 1.00 C ATOM 0 H ALA A 56 73.727 -17.348 13.620 1.00 1.00 H new ATOM 0 HA ALA A 56 75.124 -15.557 13.749 1.00 1.00 H new ATOM 0 HB1 ALA A 56 77.100 -15.854 12.267 1.00 1.00 H new ATOM 0 HB2 ALA A 56 76.540 -17.410 12.925 1.00 1.00 H new ATOM 0 HB3 ALA A 56 76.157 -16.965 11.245 1.00 1.00 H new ATOM 885 N VAL A 57 73.596 -14.041 12.146 1.00 1.00 N ATOM 886 CA VAL A 57 73.167 -12.888 11.352 1.00 1.00 C ATOM 887 C VAL A 57 74.367 -12.026 10.968 1.00 1.00 C ATOM 888 O VAL A 57 75.375 -12.112 11.649 1.00 1.00 O ATOM 889 CB VAL A 57 72.150 -12.043 12.133 1.00 1.00 C ATOM 890 CG1 VAL A 57 72.748 -11.645 13.484 1.00 1.00 C ATOM 891 CG2 VAL A 57 71.810 -10.781 11.335 1.00 1.00 C ATOM 892 OXT VAL A 57 74.259 -11.294 9.998 1.00 1.00 O ATOM 0 H VAL A 57 73.001 -14.248 12.948 1.00 1.00 H new ATOM 0 HA VAL A 57 72.693 -13.260 10.444 1.00 1.00 H new ATOM 0 HB VAL A 57 71.243 -12.626 12.293 1.00 1.00 H new ATOM 0 HG11 VAL A 57 72.026 -11.045 14.039 1.00 1.00 H new ATOM 0 HG12 VAL A 57 72.988 -12.542 14.054 1.00 1.00 H new ATOM 0 HG13 VAL A 57 73.656 -11.063 13.323 1.00 1.00 H new ATOM 0 HG21 VAL A 57 71.088 -10.183 11.891 1.00 1.00 H new ATOM 0 HG22 VAL A 57 72.716 -10.198 11.173 1.00 1.00 H new ATOM 0 HG23 VAL A 57 71.383 -11.063 10.373 1.00 1.00 H new TER 902 VAL A 57