USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 748 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 NoAdj-H: A 47 HIS HD1 : A 47 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.137 (180deg=-0.878) USER MOD Single : A 1 MET N :NH3+ 142:sc= -0.0363 (180deg=-1.01) USER MOD Single : A 3 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -4.27 K(o=-4.3,f=-5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.0462 X(o=0.046,f=0.16!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.826 K(o=-0.83,f=-4.8!) USER MOD Single : A 46 ASN : amide:sc= -0.0399 X(o=-0.04,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -2.47 USER MOD Single : A 52 ASN : amide:sc= -0.7 K(o=-0.7,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 99:sc= 1.21 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0951 USER MOD Single : A 61 SER OG : rot 180:sc= -0.0863 USER MOD Single : A 62 ASN : amide:sc= -0.0545 K(o=-0.055,f=-1.1) USER MOD Single : A 68 LYS NZ :NH3+ -155:sc= -0.0606 (180deg=-0.927) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00282 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00643 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0426 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 25:sc= 0.319 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.252 -42.339 -47.476 1.00 0.00 N ATOM 2 CA MET A 1 -24.839 -42.647 -47.104 1.00 0.00 C ATOM 3 C MET A 1 -24.449 -41.891 -45.830 1.00 0.00 C ATOM 4 O MET A 1 -25.215 -41.103 -45.309 1.00 0.00 O ATOM 5 CB MET A 1 -23.993 -42.171 -48.293 1.00 0.00 C ATOM 6 CG MET A 1 -24.228 -40.678 -48.543 1.00 0.00 C ATOM 7 SD MET A 1 -23.075 -40.089 -49.806 1.00 0.00 S ATOM 8 CE MET A 1 -23.795 -40.983 -51.204 1.00 0.00 C ATOM 0 H1 MET A 1 -26.331 -42.267 -48.511 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.875 -43.098 -47.133 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.536 -41.437 -47.044 1.00 0.00 H new ATOM 0 HA MET A 1 -24.691 -43.708 -46.902 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.937 -42.352 -48.093 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.251 -42.742 -49.185 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.255 -40.510 -48.866 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.089 -40.117 -47.619 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.511 -40.492 -52.135 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.427 -42.009 -51.208 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.881 -40.988 -51.112 1.00 0.00 H new ATOM 20 N GLY A 2 -23.261 -42.123 -45.332 1.00 0.00 N ATOM 21 CA GLY A 2 -22.810 -41.419 -44.097 1.00 0.00 C ATOM 22 C GLY A 2 -22.421 -39.981 -44.447 1.00 0.00 C ATOM 23 O GLY A 2 -22.344 -39.617 -45.606 1.00 0.00 O ATOM 0 H GLY A 2 -22.583 -42.772 -45.730 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -23.606 -41.421 -43.352 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -21.960 -41.941 -43.657 1.00 0.00 H new ATOM 27 N ASN A 3 -22.174 -39.164 -43.455 1.00 0.00 N ATOM 28 CA ASN A 3 -21.788 -37.745 -43.722 1.00 0.00 C ATOM 29 C ASN A 3 -20.264 -37.628 -43.837 1.00 0.00 C ATOM 30 O ASN A 3 -19.549 -37.736 -42.858 1.00 0.00 O ATOM 31 CB ASN A 3 -22.302 -36.963 -42.513 1.00 0.00 C ATOM 32 CG ASN A 3 -23.832 -36.947 -42.530 1.00 0.00 C ATOM 33 OD1 ASN A 3 -24.467 -37.283 -41.550 1.00 0.00 O ATOM 34 ND2 ASN A 3 -24.457 -36.565 -43.611 1.00 0.00 N ATOM 0 H ASN A 3 -22.223 -39.419 -42.469 1.00 0.00 H new ATOM 0 HA ASN A 3 -22.205 -37.368 -44.656 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -21.943 -37.420 -41.591 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -21.917 -35.944 -42.535 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -25.477 -36.549 -43.632 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -23.926 -36.283 -44.435 1.00 0.00 H new ATOM 41 N LYS A 4 -19.764 -37.411 -45.029 1.00 0.00 N ATOM 42 CA LYS A 4 -18.284 -37.291 -45.219 1.00 0.00 C ATOM 43 C LYS A 4 -17.732 -36.090 -44.444 1.00 0.00 C ATOM 44 O LYS A 4 -16.713 -36.185 -43.787 1.00 0.00 O ATOM 45 CB LYS A 4 -18.082 -37.100 -46.725 1.00 0.00 C ATOM 46 CG LYS A 4 -16.585 -37.088 -47.039 1.00 0.00 C ATOM 47 CD LYS A 4 -16.378 -36.970 -48.551 1.00 0.00 C ATOM 48 CE LYS A 4 -14.879 -36.973 -48.863 1.00 0.00 C ATOM 49 NZ LYS A 4 -14.794 -36.880 -50.347 1.00 0.00 N ATOM 0 H LYS A 4 -20.318 -37.312 -45.880 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.757 -38.170 -44.847 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.574 -37.903 -47.274 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.540 -36.166 -47.049 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.103 -36.253 -46.530 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.118 -38.000 -46.668 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.868 -37.799 -49.062 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.835 -36.052 -48.921 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.375 -36.133 -48.385 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.401 -37.882 -48.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.796 -36.877 -50.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.276 -37.696 -50.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.251 -36.002 -50.667 1.00 0.00 H new ATOM 63 N GLN A 5 -18.395 -34.962 -44.516 1.00 0.00 N ATOM 64 CA GLN A 5 -17.907 -33.754 -43.785 1.00 0.00 C ATOM 65 C GLN A 5 -18.763 -33.503 -42.540 1.00 0.00 C ATOM 66 O GLN A 5 -19.976 -33.593 -42.583 1.00 0.00 O ATOM 67 CB GLN A 5 -18.052 -32.595 -44.772 1.00 0.00 C ATOM 68 CG GLN A 5 -17.050 -32.766 -45.919 1.00 0.00 C ATOM 69 CD GLN A 5 -17.220 -31.629 -46.935 1.00 0.00 C ATOM 70 OE1 GLN A 5 -17.994 -30.714 -46.727 1.00 0.00 O ATOM 71 NE2 GLN A 5 -16.520 -31.649 -48.036 1.00 0.00 N ATOM 0 H GLN A 5 -19.253 -34.827 -45.050 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.878 -33.873 -43.447 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.068 -32.564 -45.165 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.879 -31.647 -44.263 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -16.033 -32.767 -45.528 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -17.204 -33.728 -46.408 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -15.870 -32.415 -48.213 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -16.623 -30.899 -48.719 1.00 0.00 H new ATOM 80 N ALA A 6 -18.137 -33.187 -41.435 1.00 0.00 N ATOM 81 CA ALA A 6 -18.906 -32.925 -40.181 1.00 0.00 C ATOM 82 C ALA A 6 -19.592 -31.559 -40.260 1.00 0.00 C ATOM 83 O ALA A 6 -19.032 -30.552 -39.869 1.00 0.00 O ATOM 84 CB ALA A 6 -17.866 -32.937 -39.059 1.00 0.00 C ATOM 0 H ALA A 6 -17.125 -33.099 -41.347 1.00 0.00 H new ATOM 0 HA ALA A 6 -19.687 -33.667 -40.016 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -18.358 -32.751 -38.105 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -17.374 -33.909 -39.030 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -17.124 -32.160 -39.242 1.00 0.00 H new ATOM 90 N LYS A 7 -20.799 -31.521 -40.763 1.00 0.00 N ATOM 91 CA LYS A 7 -21.529 -30.220 -40.870 1.00 0.00 C ATOM 92 C LYS A 7 -21.749 -29.626 -39.479 1.00 0.00 C ATOM 93 O LYS A 7 -21.530 -28.449 -39.256 1.00 0.00 O ATOM 94 CB LYS A 7 -22.872 -30.560 -41.520 1.00 0.00 C ATOM 95 CG LYS A 7 -23.653 -29.270 -41.782 1.00 0.00 C ATOM 96 CD LYS A 7 -24.966 -29.603 -42.493 1.00 0.00 C ATOM 97 CE LYS A 7 -25.738 -28.312 -42.772 1.00 0.00 C ATOM 98 NZ LYS A 7 -26.972 -28.748 -43.483 1.00 0.00 N ATOM 0 H LYS A 7 -21.312 -32.334 -41.105 1.00 0.00 H new ATOM 0 HA LYS A 7 -20.972 -29.485 -41.452 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -22.710 -31.096 -42.455 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -23.446 -31.220 -40.870 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -23.856 -28.758 -40.841 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -23.059 -28.590 -42.393 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -24.763 -30.127 -43.427 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -25.566 -30.272 -41.876 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -25.979 -27.789 -41.847 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -25.152 -27.626 -43.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -27.555 -27.917 -43.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -26.711 -29.237 -44.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -27.513 -29.395 -42.874 1.00 0.00 H new ATOM 112 N ALA A 8 -22.183 -30.432 -38.544 1.00 0.00 N ATOM 113 CA ALA A 8 -22.423 -29.921 -37.161 1.00 0.00 C ATOM 114 C ALA A 8 -21.096 -29.518 -36.504 1.00 0.00 C ATOM 115 O ALA A 8 -20.042 -29.932 -36.947 1.00 0.00 O ATOM 116 CB ALA A 8 -23.066 -31.082 -36.401 1.00 0.00 C ATOM 0 H ALA A 8 -22.382 -31.423 -38.679 1.00 0.00 H new ATOM 0 HA ALA A 8 -23.061 -29.037 -37.160 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -23.270 -30.776 -35.375 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -23.999 -31.363 -36.888 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -22.387 -31.935 -36.397 1.00 0.00 H new ATOM 122 N PRO A 9 -21.183 -28.721 -35.461 1.00 0.00 N ATOM 123 CA PRO A 9 -19.958 -28.272 -34.753 1.00 0.00 C ATOM 124 C PRO A 9 -19.297 -29.441 -34.013 1.00 0.00 C ATOM 125 O PRO A 9 -18.126 -29.392 -33.696 1.00 0.00 O ATOM 126 CB PRO A 9 -20.471 -27.217 -33.775 1.00 0.00 C ATOM 127 CG PRO A 9 -21.910 -27.556 -33.560 1.00 0.00 C ATOM 128 CD PRO A 9 -22.403 -28.174 -34.840 1.00 0.00 C ATOM 0 HA PRO A 9 -19.196 -27.881 -35.427 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.915 -27.244 -32.838 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -20.359 -26.213 -34.183 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -22.024 -28.249 -32.726 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -22.486 -26.664 -33.314 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -23.139 -28.955 -34.649 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -22.882 -27.435 -35.482 1.00 0.00 H new ATOM 136 N GLU A 10 -20.040 -30.491 -33.734 1.00 0.00 N ATOM 137 CA GLU A 10 -19.464 -31.673 -33.008 1.00 0.00 C ATOM 138 C GLU A 10 -18.795 -31.224 -31.692 1.00 0.00 C ATOM 139 O GLU A 10 -19.437 -31.159 -30.660 1.00 0.00 O ATOM 140 CB GLU A 10 -18.447 -32.294 -33.978 1.00 0.00 C ATOM 141 CG GLU A 10 -19.179 -32.901 -35.179 1.00 0.00 C ATOM 142 CD GLU A 10 -20.056 -34.075 -34.723 1.00 0.00 C ATOM 143 OE1 GLU A 10 -19.787 -34.625 -33.667 1.00 0.00 O ATOM 144 OE2 GLU A 10 -20.983 -34.405 -35.444 1.00 0.00 O ATOM 0 H GLU A 10 -21.026 -30.580 -33.980 1.00 0.00 H new ATOM 0 HA GLU A 10 -20.229 -32.397 -32.727 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.742 -31.534 -34.316 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -17.867 -33.063 -33.468 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -19.795 -32.142 -35.661 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.457 -33.243 -35.920 1.00 0.00 H new ATOM 151 N SER A 11 -17.521 -30.903 -31.722 1.00 0.00 N ATOM 152 CA SER A 11 -16.827 -30.449 -30.481 1.00 0.00 C ATOM 153 C SER A 11 -17.382 -29.092 -30.050 1.00 0.00 C ATOM 154 O SER A 11 -17.667 -28.242 -30.874 1.00 0.00 O ATOM 155 CB SER A 11 -15.355 -30.329 -30.876 1.00 0.00 C ATOM 156 OG SER A 11 -14.607 -29.835 -29.774 1.00 0.00 O ATOM 0 H SER A 11 -16.935 -30.937 -32.556 1.00 0.00 H new ATOM 0 HA SER A 11 -16.966 -31.134 -29.645 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.970 -31.301 -31.184 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.250 -29.659 -31.730 1.00 0.00 H new ATOM 0 HG SER A 11 -13.663 -29.760 -30.027 1.00 0.00 H new ATOM 162 N LYS A 12 -17.539 -28.884 -28.770 1.00 0.00 N ATOM 163 CA LYS A 12 -18.079 -27.581 -28.281 1.00 0.00 C ATOM 164 C LYS A 12 -16.953 -26.553 -28.172 1.00 0.00 C ATOM 165 O LYS A 12 -15.846 -26.872 -27.779 1.00 0.00 O ATOM 166 CB LYS A 12 -18.664 -27.887 -26.904 1.00 0.00 C ATOM 167 CG LYS A 12 -19.878 -28.805 -27.061 1.00 0.00 C ATOM 168 CD LYS A 12 -20.446 -29.133 -25.680 1.00 0.00 C ATOM 169 CE LYS A 12 -21.668 -30.042 -25.830 1.00 0.00 C ATOM 170 NZ LYS A 12 -22.124 -30.300 -24.437 1.00 0.00 N ATOM 0 H LYS A 12 -17.316 -29.561 -28.040 1.00 0.00 H new ATOM 0 HA LYS A 12 -18.826 -27.162 -28.955 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.912 -28.364 -26.275 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.955 -26.962 -26.407 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -20.638 -28.320 -27.674 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -19.591 -29.722 -27.576 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -19.687 -29.624 -25.071 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.724 -28.215 -25.163 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -22.449 -29.561 -26.419 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -21.410 -30.970 -26.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -22.961 -30.918 -24.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -21.362 -30.764 -23.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -22.368 -29.399 -23.979 1.00 0.00 H new ATOM 184 N ASP A 13 -17.230 -25.323 -28.517 1.00 0.00 N ATOM 185 CA ASP A 13 -16.179 -24.264 -28.434 1.00 0.00 C ATOM 186 C ASP A 13 -15.745 -24.065 -26.980 1.00 0.00 C ATOM 187 O ASP A 13 -14.584 -23.847 -26.696 1.00 0.00 O ATOM 188 CB ASP A 13 -16.840 -22.991 -28.973 1.00 0.00 C ATOM 189 CG ASP A 13 -15.776 -21.917 -29.209 1.00 0.00 C ATOM 190 OD1 ASP A 13 -14.647 -22.277 -29.505 1.00 0.00 O ATOM 191 OD2 ASP A 13 -16.106 -20.748 -29.087 1.00 0.00 O ATOM 0 H ASP A 13 -18.139 -25.005 -28.853 1.00 0.00 H new ATOM 0 HA ASP A 13 -15.287 -24.528 -29.003 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.364 -23.208 -29.904 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.585 -22.629 -28.265 1.00 0.00 H new ATOM 196 N SER A 14 -16.677 -24.131 -26.054 1.00 0.00 N ATOM 197 CA SER A 14 -16.335 -23.935 -24.606 1.00 0.00 C ATOM 198 C SER A 14 -15.611 -22.588 -24.418 1.00 0.00 C ATOM 199 O SER A 14 -14.441 -22.558 -24.090 1.00 0.00 O ATOM 200 CB SER A 14 -15.423 -25.109 -24.233 1.00 0.00 C ATOM 201 OG SER A 14 -15.612 -25.435 -22.862 1.00 0.00 O ATOM 0 H SER A 14 -17.663 -24.313 -26.241 1.00 0.00 H new ATOM 0 HA SER A 14 -17.221 -23.911 -23.971 1.00 0.00 H new ATOM 0 HB2 SER A 14 -15.649 -25.973 -24.858 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.381 -24.847 -24.416 1.00 0.00 H new ATOM 0 HG SER A 14 -15.031 -26.187 -22.621 1.00 0.00 H new ATOM 207 N PRO A 15 -16.330 -21.509 -24.654 1.00 0.00 N ATOM 208 CA PRO A 15 -15.728 -20.156 -24.529 1.00 0.00 C ATOM 209 C PRO A 15 -15.427 -19.816 -23.066 1.00 0.00 C ATOM 210 O PRO A 15 -14.626 -18.947 -22.780 1.00 0.00 O ATOM 211 CB PRO A 15 -16.800 -19.226 -25.095 1.00 0.00 C ATOM 212 CG PRO A 15 -18.084 -19.973 -24.932 1.00 0.00 C ATOM 213 CD PRO A 15 -17.750 -21.437 -25.044 1.00 0.00 C ATOM 0 HA PRO A 15 -14.776 -20.073 -25.053 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -16.824 -18.278 -24.558 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -16.608 -18.994 -26.143 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -18.540 -19.753 -23.967 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -18.802 -19.680 -25.698 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -18.376 -22.041 -24.387 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -17.905 -21.805 -26.058 1.00 0.00 H new ATOM 221 N ARG A 16 -16.065 -20.486 -22.133 1.00 0.00 N ATOM 222 CA ARG A 16 -15.822 -20.193 -20.681 1.00 0.00 C ATOM 223 C ARG A 16 -15.991 -18.691 -20.405 1.00 0.00 C ATOM 224 O ARG A 16 -15.036 -17.938 -20.414 1.00 0.00 O ATOM 225 CB ARG A 16 -14.376 -20.632 -20.412 1.00 0.00 C ATOM 226 CG ARG A 16 -14.215 -22.122 -20.737 1.00 0.00 C ATOM 227 CD ARG A 16 -14.952 -22.960 -19.687 1.00 0.00 C ATOM 228 NE ARG A 16 -14.143 -22.815 -18.444 1.00 0.00 N ATOM 229 CZ ARG A 16 -14.644 -23.179 -17.296 1.00 0.00 C ATOM 230 NH1 ARG A 16 -15.295 -24.307 -17.195 1.00 0.00 N ATOM 231 NH2 ARG A 16 -14.493 -22.416 -16.249 1.00 0.00 N ATOM 0 H ARG A 16 -16.745 -21.224 -22.315 1.00 0.00 H new ATOM 0 HA ARG A 16 -16.528 -20.716 -20.036 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -13.689 -20.042 -21.018 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -14.119 -20.448 -19.369 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.613 -22.333 -21.730 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -13.158 -22.389 -20.754 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -15.971 -22.602 -19.539 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -15.023 -24.004 -19.993 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.199 -22.432 -18.491 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.412 -24.904 -18.014 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.687 -24.591 -16.297 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.984 -21.536 -16.329 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.884 -22.699 -15.351 1.00 0.00 H new ATOM 245 N ALA A 17 -17.203 -18.259 -20.165 1.00 0.00 N ATOM 246 CA ALA A 17 -17.451 -16.808 -19.889 1.00 0.00 C ATOM 247 C ALA A 17 -16.852 -16.415 -18.536 1.00 0.00 C ATOM 248 O ALA A 17 -16.849 -17.198 -17.607 1.00 0.00 O ATOM 249 CB ALA A 17 -18.973 -16.662 -19.854 1.00 0.00 C ATOM 0 H ALA A 17 -18.035 -18.849 -20.148 1.00 0.00 H new ATOM 0 HA ALA A 17 -16.994 -16.165 -20.642 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -19.234 -15.623 -19.656 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -19.390 -16.964 -20.815 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -19.381 -17.295 -19.066 1.00 0.00 H new ATOM 255 N SER A 18 -16.347 -15.209 -18.413 1.00 0.00 N ATOM 256 CA SER A 18 -15.745 -14.759 -17.111 1.00 0.00 C ATOM 257 C SER A 18 -14.724 -15.800 -16.593 1.00 0.00 C ATOM 258 O SER A 18 -15.066 -16.723 -15.887 1.00 0.00 O ATOM 259 CB SER A 18 -16.937 -14.621 -16.153 1.00 0.00 C ATOM 260 OG SER A 18 -17.242 -13.238 -15.977 1.00 0.00 O ATOM 0 H SER A 18 -16.325 -14.514 -19.159 1.00 0.00 H new ATOM 0 HA SER A 18 -15.196 -13.822 -17.209 1.00 0.00 H new ATOM 0 HB2 SER A 18 -17.803 -15.148 -16.553 1.00 0.00 H new ATOM 0 HB3 SER A 18 -16.701 -15.079 -15.192 1.00 0.00 H new ATOM 0 HG SER A 18 -18.004 -13.146 -15.367 1.00 0.00 H new ATOM 266 N LEU A 19 -13.484 -15.664 -16.983 1.00 0.00 N ATOM 267 CA LEU A 19 -12.432 -16.642 -16.567 1.00 0.00 C ATOM 268 C LEU A 19 -12.139 -16.530 -15.075 1.00 0.00 C ATOM 269 O LEU A 19 -12.008 -17.528 -14.386 1.00 0.00 O ATOM 270 CB LEU A 19 -11.250 -16.304 -17.493 1.00 0.00 C ATOM 271 CG LEU A 19 -11.720 -16.750 -18.893 1.00 0.00 C ATOM 272 CD1 LEU A 19 -11.327 -15.776 -20.003 1.00 0.00 C ATOM 273 CD2 LEU A 19 -11.165 -18.154 -19.156 1.00 0.00 C ATOM 0 H LEU A 19 -13.150 -14.907 -17.580 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.716 -17.689 -16.676 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.020 -15.239 -17.472 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.345 -16.831 -17.191 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.810 -16.762 -18.904 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.689 -16.151 -20.961 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.770 -14.800 -19.804 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.242 -15.682 -20.037 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.484 -18.493 -20.142 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.076 -18.128 -19.116 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.540 -18.841 -18.398 1.00 0.00 H new ATOM 285 N ILE A 20 -12.085 -15.344 -14.576 1.00 0.00 N ATOM 286 CA ILE A 20 -11.854 -15.161 -13.132 1.00 0.00 C ATOM 287 C ILE A 20 -13.023 -14.351 -12.539 1.00 0.00 C ATOM 288 O ILE A 20 -12.869 -13.189 -12.210 1.00 0.00 O ATOM 289 CB ILE A 20 -10.523 -14.425 -13.055 1.00 0.00 C ATOM 290 CG1 ILE A 20 -9.436 -15.305 -13.690 1.00 0.00 C ATOM 291 CG2 ILE A 20 -10.174 -14.168 -11.594 1.00 0.00 C ATOM 292 CD1 ILE A 20 -8.144 -14.511 -13.847 1.00 0.00 C ATOM 0 H ILE A 20 -12.192 -14.482 -15.111 1.00 0.00 H new ATOM 0 HA ILE A 20 -11.811 -16.089 -12.561 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.590 -13.475 -13.585 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.259 -16.183 -13.069 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.771 -15.665 -14.663 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -9.222 -13.641 -11.535 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.954 -13.560 -11.135 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.096 -15.118 -11.066 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.380 -15.144 -14.298 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.323 -13.647 -14.487 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.803 -14.173 -12.868 1.00 0.00 H new ATOM 304 N PRO A 21 -14.173 -14.998 -12.421 1.00 0.00 N ATOM 305 CA PRO A 21 -15.373 -14.328 -11.859 1.00 0.00 C ATOM 306 C PRO A 21 -15.286 -14.300 -10.330 1.00 0.00 C ATOM 307 O PRO A 21 -16.169 -14.774 -9.640 1.00 0.00 O ATOM 308 CB PRO A 21 -16.530 -15.216 -12.313 1.00 0.00 C ATOM 309 CG PRO A 21 -15.932 -16.573 -12.517 1.00 0.00 C ATOM 310 CD PRO A 21 -14.462 -16.391 -12.801 1.00 0.00 C ATOM 0 HA PRO A 21 -15.483 -13.295 -12.188 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -17.321 -15.244 -11.564 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.976 -14.840 -13.234 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.076 -17.191 -11.631 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.421 -17.085 -13.346 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.858 -17.091 -12.224 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.238 -16.568 -13.853 1.00 0.00 H new ATOM 318 N ASP A 22 -14.221 -13.756 -9.796 1.00 0.00 N ATOM 319 CA ASP A 22 -14.065 -13.701 -8.316 1.00 0.00 C ATOM 320 C ASP A 22 -13.152 -12.534 -7.932 1.00 0.00 C ATOM 321 O ASP A 22 -12.546 -11.906 -8.781 1.00 0.00 O ATOM 322 CB ASP A 22 -13.426 -15.043 -7.931 1.00 0.00 C ATOM 323 CG ASP A 22 -12.070 -15.206 -8.631 1.00 0.00 C ATOM 324 OD1 ASP A 22 -12.044 -15.157 -9.849 1.00 0.00 O ATOM 325 OD2 ASP A 22 -11.085 -15.383 -7.934 1.00 0.00 O ATOM 0 H ASP A 22 -13.452 -13.347 -10.326 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.013 -13.546 -7.802 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.294 -15.094 -6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.088 -15.863 -8.210 1.00 0.00 H new ATOM 330 N ALA A 23 -13.044 -12.250 -6.663 1.00 0.00 N ATOM 331 CA ALA A 23 -12.161 -11.132 -6.218 1.00 0.00 C ATOM 332 C ALA A 23 -10.698 -11.501 -6.472 1.00 0.00 C ATOM 333 O ALA A 23 -10.320 -12.655 -6.389 1.00 0.00 O ATOM 334 CB ALA A 23 -12.426 -10.976 -4.720 1.00 0.00 C ATOM 0 H ALA A 23 -13.529 -12.744 -5.914 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.361 -10.205 -6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.809 -10.169 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.478 -10.741 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.180 -11.906 -4.208 1.00 0.00 H new ATOM 340 N THR A 24 -9.877 -10.532 -6.785 1.00 0.00 N ATOM 341 CA THR A 24 -8.438 -10.825 -7.051 1.00 0.00 C ATOM 342 C THR A 24 -7.594 -10.472 -5.824 1.00 0.00 C ATOM 343 O THR A 24 -7.685 -9.383 -5.289 1.00 0.00 O ATOM 344 CB THR A 24 -8.059 -9.935 -8.238 1.00 0.00 C ATOM 345 OG1 THR A 24 -8.906 -10.234 -9.340 1.00 0.00 O ATOM 346 CG2 THR A 24 -6.603 -10.192 -8.630 1.00 0.00 C ATOM 0 H THR A 24 -10.142 -9.550 -6.868 1.00 0.00 H new ATOM 0 HA THR A 24 -8.265 -11.880 -7.265 1.00 0.00 H new ATOM 0 HB THR A 24 -8.177 -8.888 -7.958 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.667 -9.664 -10.101 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.336 -9.557 -9.475 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.953 -9.964 -7.785 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.481 -11.238 -8.910 1.00 0.00 H new ATOM 354 N HIS A 25 -6.773 -11.388 -5.380 1.00 0.00 N ATOM 355 CA HIS A 25 -5.915 -11.120 -4.188 1.00 0.00 C ATOM 356 C HIS A 25 -4.469 -10.894 -4.628 1.00 0.00 C ATOM 357 O HIS A 25 -4.099 -11.188 -5.748 1.00 0.00 O ATOM 358 CB HIS A 25 -6.019 -12.378 -3.326 1.00 0.00 C ATOM 359 CG HIS A 25 -7.302 -12.348 -2.547 1.00 0.00 C ATOM 360 ND1 HIS A 25 -8.403 -13.116 -2.901 1.00 0.00 N ATOM 361 CD2 HIS A 25 -7.680 -11.644 -1.429 1.00 0.00 C ATOM 362 CE1 HIS A 25 -9.382 -12.860 -2.012 1.00 0.00 C ATOM 363 NE2 HIS A 25 -8.989 -11.971 -1.097 1.00 0.00 N ATOM 0 H HIS A 25 -6.660 -12.314 -5.793 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.231 -10.230 -3.644 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.985 -13.267 -3.956 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.170 -12.436 -2.646 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -7.056 -10.945 -0.892 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.361 -13.316 -2.036 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -9.536 -11.607 -0.317 1.00 0.00 H new ATOM 372 N LEU A 26 -3.651 -10.371 -3.751 1.00 0.00 N ATOM 373 CA LEU A 26 -2.220 -10.121 -4.111 1.00 0.00 C ATOM 374 C LEU A 26 -1.539 -11.434 -4.519 1.00 0.00 C ATOM 375 O LEU A 26 -1.283 -11.668 -5.684 1.00 0.00 O ATOM 376 CB LEU A 26 -1.585 -9.547 -2.841 1.00 0.00 C ATOM 377 CG LEU A 26 -2.232 -8.200 -2.516 1.00 0.00 C ATOM 378 CD1 LEU A 26 -1.728 -7.703 -1.160 1.00 0.00 C ATOM 379 CD2 LEU A 26 -1.863 -7.187 -3.601 1.00 0.00 C ATOM 0 H LEU A 26 -3.911 -10.106 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.117 -9.440 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.720 -10.238 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.511 -9.423 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.315 -8.316 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.190 -6.743 -0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.989 -8.426 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.645 -7.585 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.323 -6.225 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.780 -7.072 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.223 -7.541 -4.567 1.00 0.00 H new ATOM 391 N GLY A 27 -1.265 -12.295 -3.571 1.00 0.00 N ATOM 392 CA GLY A 27 -0.620 -13.602 -3.903 1.00 0.00 C ATOM 393 C GLY A 27 0.878 -13.565 -3.554 1.00 0.00 C ATOM 394 O GLY A 27 1.231 -13.647 -2.395 1.00 0.00 O ATOM 0 H GLY A 27 -1.460 -12.149 -2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.108 -14.406 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.748 -13.819 -4.964 1.00 0.00 H new ATOM 398 N PRO A 28 1.725 -13.453 -4.562 1.00 0.00 N ATOM 399 CA PRO A 28 3.188 -13.423 -4.307 1.00 0.00 C ATOM 400 C PRO A 28 3.581 -12.103 -3.650 1.00 0.00 C ATOM 401 O PRO A 28 2.938 -11.088 -3.850 1.00 0.00 O ATOM 402 CB PRO A 28 3.803 -13.543 -5.698 1.00 0.00 C ATOM 403 CG PRO A 28 2.756 -13.015 -6.625 1.00 0.00 C ATOM 404 CD PRO A 28 1.423 -13.335 -6.000 1.00 0.00 C ATOM 0 HA PRO A 28 3.522 -14.213 -3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.725 -12.967 -5.774 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.053 -14.578 -5.932 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.870 -11.940 -6.765 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.843 -13.476 -7.609 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.693 -12.549 -6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.007 -14.260 -6.398 1.00 0.00 H new ATOM 412 N GLN A 29 4.632 -12.106 -2.872 1.00 0.00 N ATOM 413 CA GLN A 29 5.064 -10.847 -2.206 1.00 0.00 C ATOM 414 C GLN A 29 6.528 -10.550 -2.526 1.00 0.00 C ATOM 415 O GLN A 29 7.425 -10.915 -1.788 1.00 0.00 O ATOM 416 CB GLN A 29 4.871 -11.092 -0.705 1.00 0.00 C ATOM 417 CG GLN A 29 3.715 -10.229 -0.190 1.00 0.00 C ATOM 418 CD GLN A 29 2.402 -11.004 -0.322 1.00 0.00 C ATOM 419 OE1 GLN A 29 2.397 -12.219 -0.316 1.00 0.00 O ATOM 420 NE2 GLN A 29 1.279 -10.349 -0.439 1.00 0.00 N ATOM 0 H GLN A 29 5.207 -12.924 -2.671 1.00 0.00 H new ATOM 0 HA GLN A 29 4.489 -9.986 -2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.661 -12.146 -0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.787 -10.851 -0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.886 -9.957 0.852 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.660 -9.300 -0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.282 -9.329 -0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.399 -10.857 -0.525 1.00 0.00 H new ATOM 429 N PHE A 30 6.766 -9.875 -3.615 1.00 0.00 N ATOM 430 CA PHE A 30 8.160 -9.516 -3.999 1.00 0.00 C ATOM 431 C PHE A 30 8.205 -8.046 -4.411 1.00 0.00 C ATOM 432 O PHE A 30 7.393 -7.601 -5.201 1.00 0.00 O ATOM 433 CB PHE A 30 8.487 -10.417 -5.188 1.00 0.00 C ATOM 434 CG PHE A 30 8.586 -11.846 -4.720 1.00 0.00 C ATOM 435 CD1 PHE A 30 9.792 -12.328 -4.199 1.00 0.00 C ATOM 436 CD2 PHE A 30 7.472 -12.689 -4.802 1.00 0.00 C ATOM 437 CE1 PHE A 30 9.885 -13.654 -3.762 1.00 0.00 C ATOM 438 CE2 PHE A 30 7.564 -14.015 -4.364 1.00 0.00 C ATOM 439 CZ PHE A 30 8.771 -14.497 -3.844 1.00 0.00 C ATOM 0 H PHE A 30 6.047 -9.553 -4.263 1.00 0.00 H new ATOM 0 HA PHE A 30 8.872 -9.651 -3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.714 -10.325 -5.951 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.426 -10.107 -5.646 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.651 -11.677 -4.134 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.541 -12.316 -5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.816 -14.027 -3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.704 -14.666 -4.427 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.843 -15.520 -3.506 1.00 0.00 H new ATOM 449 N CYS A 31 9.139 -7.287 -3.894 1.00 0.00 N ATOM 450 CA CYS A 31 9.210 -5.847 -4.280 1.00 0.00 C ATOM 451 C CYS A 31 9.793 -5.722 -5.683 1.00 0.00 C ATOM 452 O CYS A 31 10.894 -6.159 -5.948 1.00 0.00 O ATOM 453 CB CYS A 31 10.128 -5.175 -3.256 1.00 0.00 C ATOM 454 SG CYS A 31 9.898 -3.377 -3.335 1.00 0.00 S ATOM 0 H CYS A 31 9.847 -7.599 -3.229 1.00 0.00 H new ATOM 0 HA CYS A 31 8.225 -5.379 -4.288 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.902 -5.539 -2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.168 -5.430 -3.460 1.00 0.00 H new ATOM 459 N LYS A 32 9.061 -5.131 -6.582 1.00 0.00 N ATOM 460 CA LYS A 32 9.570 -4.967 -7.972 1.00 0.00 C ATOM 461 C LYS A 32 10.094 -3.540 -8.187 1.00 0.00 C ATOM 462 O LYS A 32 10.686 -3.246 -9.209 1.00 0.00 O ATOM 463 CB LYS A 32 8.361 -5.231 -8.870 1.00 0.00 C ATOM 464 CG LYS A 32 8.836 -5.788 -10.213 1.00 0.00 C ATOM 465 CD LYS A 32 7.624 -6.192 -11.054 1.00 0.00 C ATOM 466 CE LYS A 32 8.098 -6.752 -12.397 1.00 0.00 C ATOM 467 NZ LYS A 32 6.850 -7.145 -13.110 1.00 0.00 N ATOM 0 H LYS A 32 8.129 -4.753 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 32 10.397 -5.643 -8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.685 -5.938 -8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.801 -4.309 -9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.426 -5.039 -10.742 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.485 -6.649 -10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.033 -6.940 -10.524 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.977 -5.330 -11.215 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.657 -6.006 -12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.759 -7.607 -12.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.092 -7.539 -14.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.342 -7.861 -12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.243 -6.309 -13.234 1.00 0.00 H new ATOM 481 N SER A 33 9.864 -2.644 -7.249 1.00 0.00 N ATOM 482 CA SER A 33 10.336 -1.237 -7.435 1.00 0.00 C ATOM 483 C SER A 33 11.850 -1.107 -7.222 1.00 0.00 C ATOM 484 O SER A 33 12.575 -0.779 -8.143 1.00 0.00 O ATOM 485 CB SER A 33 9.585 -0.432 -6.373 1.00 0.00 C ATOM 486 OG SER A 33 9.505 0.928 -6.779 1.00 0.00 O ATOM 0 H SER A 33 9.375 -2.828 -6.373 1.00 0.00 H new ATOM 0 HA SER A 33 10.145 -0.888 -8.450 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.584 -0.840 -6.232 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.098 -0.507 -5.414 1.00 0.00 H new ATOM 0 HG SER A 33 9.022 1.444 -6.100 1.00 0.00 H new ATOM 492 N CYS A 34 12.341 -1.358 -6.026 1.00 0.00 N ATOM 493 CA CYS A 34 13.815 -1.236 -5.796 1.00 0.00 C ATOM 494 C CYS A 34 14.566 -2.487 -6.276 1.00 0.00 C ATOM 495 O CYS A 34 15.601 -2.384 -6.901 1.00 0.00 O ATOM 496 CB CYS A 34 14.019 -0.975 -4.292 1.00 0.00 C ATOM 497 SG CYS A 34 13.467 -2.379 -3.298 1.00 0.00 S ATOM 0 H CYS A 34 11.792 -1.638 -5.213 1.00 0.00 H new ATOM 0 HA CYS A 34 14.228 -0.411 -6.376 1.00 0.00 H new ATOM 0 HB2 CYS A 34 15.073 -0.780 -4.095 1.00 0.00 H new ATOM 0 HB3 CYS A 34 13.469 -0.081 -3.999 1.00 0.00 H new ATOM 502 N TRP A 35 14.061 -3.669 -5.984 1.00 0.00 N ATOM 503 CA TRP A 35 14.752 -4.940 -6.411 1.00 0.00 C ATOM 504 C TRP A 35 14.030 -6.146 -5.802 1.00 0.00 C ATOM 505 O TRP A 35 13.115 -5.993 -5.018 1.00 0.00 O ATOM 506 CB TRP A 35 16.197 -4.882 -5.869 1.00 0.00 C ATOM 507 CG TRP A 35 16.201 -4.458 -4.430 1.00 0.00 C ATOM 508 CD1 TRP A 35 15.660 -5.165 -3.412 1.00 0.00 C ATOM 509 CD2 TRP A 35 16.757 -3.248 -3.839 1.00 0.00 C ATOM 510 NE1 TRP A 35 15.852 -4.468 -2.233 1.00 0.00 N ATOM 511 CE2 TRP A 35 16.523 -3.280 -2.445 1.00 0.00 C ATOM 512 CE3 TRP A 35 17.435 -2.136 -4.372 1.00 0.00 C ATOM 513 CZ2 TRP A 35 16.950 -2.248 -1.608 1.00 0.00 C ATOM 514 CZ3 TRP A 35 17.865 -1.095 -3.532 1.00 0.00 C ATOM 515 CH2 TRP A 35 17.622 -1.151 -2.152 1.00 0.00 C ATOM 0 H TRP A 35 13.194 -3.810 -5.465 1.00 0.00 H new ATOM 0 HA TRP A 35 14.745 -5.038 -7.497 1.00 0.00 H new ATOM 0 HB2 TRP A 35 16.668 -5.860 -5.968 1.00 0.00 H new ATOM 0 HB3 TRP A 35 16.786 -4.183 -6.462 1.00 0.00 H new ATOM 0 HD1 TRP A 35 15.160 -6.118 -3.505 1.00 0.00 H new ATOM 0 HE1 TRP A 35 15.537 -4.792 -1.319 1.00 0.00 H new ATOM 0 HE3 TRP A 35 17.626 -2.082 -5.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 16.762 -2.297 -0.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 18.386 -0.247 -3.952 1.00 0.00 H new ATOM 0 HH2 TRP A 35 17.954 -0.348 -1.511 1.00 0.00 H new ATOM 526 N PHE A 36 14.445 -7.341 -6.142 1.00 0.00 N ATOM 527 CA PHE A 36 13.784 -8.560 -5.578 1.00 0.00 C ATOM 528 C PHE A 36 14.401 -8.930 -4.223 1.00 0.00 C ATOM 529 O PHE A 36 15.556 -9.304 -4.141 1.00 0.00 O ATOM 530 CB PHE A 36 14.067 -9.664 -6.601 1.00 0.00 C ATOM 531 CG PHE A 36 13.224 -9.453 -7.837 1.00 0.00 C ATOM 532 CD1 PHE A 36 11.873 -9.816 -7.835 1.00 0.00 C ATOM 533 CD2 PHE A 36 13.799 -8.907 -8.991 1.00 0.00 C ATOM 534 CE1 PHE A 36 11.095 -9.628 -8.984 1.00 0.00 C ATOM 535 CE2 PHE A 36 13.023 -8.721 -10.141 1.00 0.00 C ATOM 536 CZ PHE A 36 11.670 -9.082 -10.138 1.00 0.00 C ATOM 0 H PHE A 36 15.214 -7.526 -6.786 1.00 0.00 H new ATOM 0 HA PHE A 36 12.718 -8.407 -5.411 1.00 0.00 H new ATOM 0 HB2 PHE A 36 15.124 -9.662 -6.867 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.850 -10.639 -6.165 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.430 -10.241 -6.947 1.00 0.00 H new ATOM 0 HD2 PHE A 36 14.843 -8.629 -8.994 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.051 -9.904 -8.980 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.468 -8.299 -11.030 1.00 0.00 H new ATOM 0 HZ PHE A 36 11.071 -8.939 -11.025 1.00 0.00 H new ATOM 546 N GLU A 37 13.635 -8.832 -3.158 1.00 0.00 N ATOM 547 CA GLU A 37 14.171 -9.181 -1.807 1.00 0.00 C ATOM 548 C GLU A 37 13.019 -9.390 -0.813 1.00 0.00 C ATOM 549 O GLU A 37 12.030 -8.683 -0.841 1.00 0.00 O ATOM 550 CB GLU A 37 15.012 -7.973 -1.391 1.00 0.00 C ATOM 551 CG GLU A 37 15.998 -8.387 -0.293 1.00 0.00 C ATOM 552 CD GLU A 37 17.087 -9.293 -0.881 1.00 0.00 C ATOM 553 OE1 GLU A 37 17.311 -9.227 -2.080 1.00 0.00 O ATOM 554 OE2 GLU A 37 17.685 -10.033 -0.118 1.00 0.00 O ATOM 0 H GLU A 37 12.662 -8.525 -3.170 1.00 0.00 H new ATOM 0 HA GLU A 37 14.752 -10.103 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.554 -7.581 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.365 -7.173 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.451 -7.502 0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.469 -8.910 0.504 1.00 0.00 H new ATOM 561 N ASN A 38 13.149 -10.350 0.068 1.00 0.00 N ATOM 562 CA ASN A 38 12.074 -10.606 1.079 1.00 0.00 C ATOM 563 C ASN A 38 12.584 -10.284 2.491 1.00 0.00 C ATOM 564 O ASN A 38 12.078 -10.791 3.474 1.00 0.00 O ATOM 565 CB ASN A 38 11.755 -12.096 0.951 1.00 0.00 C ATOM 566 CG ASN A 38 11.137 -12.371 -0.422 1.00 0.00 C ATOM 567 OD1 ASN A 38 11.550 -13.280 -1.115 1.00 0.00 O ATOM 568 ND2 ASN A 38 10.157 -11.621 -0.845 1.00 0.00 N ATOM 0 H ASN A 38 13.956 -10.971 0.132 1.00 0.00 H new ATOM 0 HA ASN A 38 11.194 -9.985 0.911 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.663 -12.685 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.066 -12.400 1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.737 -11.797 -1.758 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.811 -10.858 -0.263 1.00 0.00 H new ATOM 575 N LYS A 39 13.591 -9.453 2.592 1.00 0.00 N ATOM 576 CA LYS A 39 14.158 -9.098 3.933 1.00 0.00 C ATOM 577 C LYS A 39 13.124 -8.365 4.796 1.00 0.00 C ATOM 578 O LYS A 39 12.967 -8.659 5.967 1.00 0.00 O ATOM 579 CB LYS A 39 15.346 -8.184 3.628 1.00 0.00 C ATOM 580 CG LYS A 39 16.073 -7.837 4.926 1.00 0.00 C ATOM 581 CD LYS A 39 17.293 -6.973 4.608 1.00 0.00 C ATOM 582 CE LYS A 39 18.032 -6.638 5.905 1.00 0.00 C ATOM 583 NZ LYS A 39 19.205 -5.824 5.482 1.00 0.00 N ATOM 0 H LYS A 39 14.048 -9.002 1.800 1.00 0.00 H new ATOM 0 HA LYS A 39 14.450 -9.985 4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.030 -8.678 2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.001 -7.273 3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.402 -7.305 5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.382 -8.748 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.958 -7.501 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.982 -6.056 4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.393 -6.082 6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.347 -7.543 6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.761 -5.556 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.799 -6.381 4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 18.875 -4.966 4.996 1.00 0.00 H new ATOM 597 N GLY A 40 12.430 -7.407 4.234 1.00 0.00 N ATOM 598 CA GLY A 40 11.415 -6.646 5.028 1.00 0.00 C ATOM 599 C GLY A 40 10.350 -6.084 4.088 1.00 0.00 C ATOM 600 O GLY A 40 10.104 -4.893 4.053 1.00 0.00 O ATOM 0 H GLY A 40 12.522 -7.119 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.953 -7.299 5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.898 -5.835 5.574 1.00 0.00 H new ATOM 604 N LEU A 41 9.727 -6.935 3.319 1.00 0.00 N ATOM 605 CA LEU A 41 8.681 -6.468 2.362 1.00 0.00 C ATOM 606 C LEU A 41 7.383 -6.115 3.098 1.00 0.00 C ATOM 607 O LEU A 41 7.010 -6.743 4.070 1.00 0.00 O ATOM 608 CB LEU A 41 8.458 -7.647 1.413 1.00 0.00 C ATOM 609 CG LEU A 41 7.399 -7.283 0.371 1.00 0.00 C ATOM 610 CD1 LEU A 41 7.954 -6.216 -0.573 1.00 0.00 C ATOM 611 CD2 LEU A 41 7.034 -8.531 -0.425 1.00 0.00 C ATOM 0 H LEU A 41 9.898 -7.940 3.312 1.00 0.00 H new ATOM 0 HA LEU A 41 8.989 -5.566 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.393 -7.909 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.140 -8.524 1.977 1.00 0.00 H new ATOM 0 HG LEU A 41 6.512 -6.893 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.198 -5.958 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.220 -5.327 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.840 -6.602 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.279 -8.279 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.923 -8.917 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.639 -9.290 0.250 1.00 0.00 H new ATOM 623 N VAL A 42 6.692 -5.121 2.612 1.00 0.00 N ATOM 624 CA VAL A 42 5.401 -4.705 3.231 1.00 0.00 C ATOM 625 C VAL A 42 4.318 -4.776 2.153 1.00 0.00 C ATOM 626 O VAL A 42 4.522 -4.343 1.037 1.00 0.00 O ATOM 627 CB VAL A 42 5.624 -3.265 3.705 1.00 0.00 C ATOM 628 CG1 VAL A 42 4.348 -2.733 4.352 1.00 0.00 C ATOM 629 CG2 VAL A 42 6.761 -3.238 4.730 1.00 0.00 C ATOM 0 H VAL A 42 6.971 -4.571 1.800 1.00 0.00 H new ATOM 0 HA VAL A 42 5.089 -5.336 4.063 1.00 0.00 H new ATOM 0 HB VAL A 42 5.884 -2.640 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.510 -1.709 4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.536 -2.752 3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.085 -3.358 5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.921 -2.214 5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.498 -3.865 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.674 -3.615 4.270 1.00 0.00 H new ATOM 639 N GLU A 43 3.191 -5.356 2.457 1.00 0.00 N ATOM 640 CA GLU A 43 2.131 -5.492 1.416 1.00 0.00 C ATOM 641 C GLU A 43 1.192 -4.288 1.374 1.00 0.00 C ATOM 642 O GLU A 43 0.361 -4.100 2.243 1.00 0.00 O ATOM 643 CB GLU A 43 1.351 -6.745 1.816 1.00 0.00 C ATOM 644 CG GLU A 43 2.238 -7.983 1.644 1.00 0.00 C ATOM 645 CD GLU A 43 1.518 -9.233 2.172 1.00 0.00 C ATOM 646 OE1 GLU A 43 0.331 -9.148 2.455 1.00 0.00 O ATOM 647 OE2 GLU A 43 2.170 -10.255 2.296 1.00 0.00 O ATOM 0 H GLU A 43 2.958 -5.739 3.373 1.00 0.00 H new ATOM 0 HA GLU A 43 2.573 -5.556 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.020 -6.664 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.456 -6.839 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.488 -8.116 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.177 -7.843 2.179 1.00 0.00 H new ATOM 654 N CYS A 44 1.266 -3.519 0.314 1.00 0.00 N ATOM 655 CA CYS A 44 0.316 -2.377 0.138 1.00 0.00 C ATOM 656 C CYS A 44 -1.049 -3.023 -0.122 1.00 0.00 C ATOM 657 O CYS A 44 -1.117 -4.234 -0.257 1.00 0.00 O ATOM 658 CB CYS A 44 0.815 -1.625 -1.104 1.00 0.00 C ATOM 659 SG CYS A 44 0.649 0.167 -0.898 1.00 0.00 S ATOM 0 H CYS A 44 1.945 -3.634 -0.438 1.00 0.00 H new ATOM 0 HA CYS A 44 0.248 -1.694 0.984 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.859 -1.877 -1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.249 -1.947 -1.978 1.00 0.00 H new ATOM 664 N ASN A 45 -2.134 -2.288 -0.179 1.00 0.00 N ATOM 665 CA ASN A 45 -3.453 -2.971 -0.419 1.00 0.00 C ATOM 666 C ASN A 45 -3.382 -3.830 -1.700 1.00 0.00 C ATOM 667 O ASN A 45 -3.348 -5.045 -1.632 1.00 0.00 O ATOM 668 CB ASN A 45 -4.473 -1.837 -0.579 1.00 0.00 C ATOM 669 CG ASN A 45 -5.874 -2.423 -0.794 1.00 0.00 C ATOM 670 OD1 ASN A 45 -6.026 -3.598 -1.070 1.00 0.00 O ATOM 671 ND2 ASN A 45 -6.916 -1.645 -0.679 1.00 0.00 N ATOM 0 H ASN A 45 -2.170 -1.274 -0.074 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.724 -3.642 0.396 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.467 -1.202 0.307 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.199 -1.206 -1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.853 -2.023 -0.820 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.793 -0.659 -0.448 1.00 0.00 H new ATOM 678 N ASN A 46 -3.324 -3.211 -2.851 1.00 0.00 N ATOM 679 CA ASN A 46 -3.216 -3.985 -4.129 1.00 0.00 C ATOM 680 C ASN A 46 -1.808 -3.840 -4.734 1.00 0.00 C ATOM 681 O ASN A 46 -1.648 -3.846 -5.941 1.00 0.00 O ATOM 682 CB ASN A 46 -4.282 -3.385 -5.042 1.00 0.00 C ATOM 683 CG ASN A 46 -5.665 -3.739 -4.490 1.00 0.00 C ATOM 684 OD1 ASN A 46 -6.470 -2.867 -4.230 1.00 0.00 O ATOM 685 ND2 ASN A 46 -5.975 -4.993 -4.296 1.00 0.00 N ATOM 0 H ASN A 46 -3.347 -2.197 -2.963 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.370 -5.054 -3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.164 -2.303 -5.098 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.171 -3.771 -6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.893 -5.240 -3.926 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.299 -5.725 -4.514 1.00 0.00 H new ATOM 692 N HIS A 47 -0.799 -3.657 -3.916 1.00 0.00 N ATOM 693 CA HIS A 47 0.586 -3.453 -4.454 1.00 0.00 C ATOM 694 C HIS A 47 1.636 -3.892 -3.402 1.00 0.00 C ATOM 695 O HIS A 47 1.339 -3.980 -2.230 1.00 0.00 O ATOM 696 CB HIS A 47 0.586 -1.926 -4.751 1.00 0.00 C ATOM 697 CG HIS A 47 1.947 -1.292 -4.617 1.00 0.00 C ATOM 698 ND1 HIS A 47 2.144 -0.094 -3.927 1.00 0.00 N ATOM 699 CD2 HIS A 47 3.187 -1.672 -5.061 1.00 0.00 C ATOM 700 CE1 HIS A 47 3.455 0.186 -3.973 1.00 0.00 C ATOM 701 NE2 HIS A 47 4.130 -0.745 -4.648 1.00 0.00 N ATOM 0 H HIS A 47 -0.874 -3.640 -2.899 1.00 0.00 H new ATOM 0 HA HIS A 47 0.842 -4.039 -5.336 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.213 -1.760 -5.762 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.106 -1.431 -4.070 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.396 -2.557 -5.643 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.907 1.056 -3.520 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.134 -0.770 -4.824 1.00 0.00 H new ATOM 709 N TYR A 48 2.852 -4.193 -3.815 1.00 0.00 N ATOM 710 CA TYR A 48 3.897 -4.633 -2.828 1.00 0.00 C ATOM 711 C TYR A 48 5.025 -3.600 -2.718 1.00 0.00 C ATOM 712 O TYR A 48 5.619 -3.204 -3.704 1.00 0.00 O ATOM 713 CB TYR A 48 4.507 -5.934 -3.373 1.00 0.00 C ATOM 714 CG TYR A 48 3.438 -6.911 -3.783 1.00 0.00 C ATOM 715 CD1 TYR A 48 2.827 -7.731 -2.831 1.00 0.00 C ATOM 716 CD2 TYR A 48 3.070 -6.999 -5.128 1.00 0.00 C ATOM 717 CE1 TYR A 48 1.842 -8.641 -3.228 1.00 0.00 C ATOM 718 CE2 TYR A 48 2.086 -7.906 -5.525 1.00 0.00 C ATOM 719 CZ TYR A 48 1.471 -8.728 -4.575 1.00 0.00 C ATOM 720 OH TYR A 48 0.500 -9.625 -4.968 1.00 0.00 O ATOM 0 H TYR A 48 3.163 -4.153 -4.786 1.00 0.00 H new ATOM 0 HA TYR A 48 3.440 -4.758 -1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.144 -5.709 -4.228 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.143 -6.386 -2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.114 -7.662 -1.792 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.547 -6.365 -5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.367 -9.277 -2.495 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.800 -7.973 -6.564 1.00 0.00 H new ATOM 0 HH TYR A 48 0.363 -9.555 -5.936 1.00 0.00 H new ATOM 730 N LEU A 49 5.360 -3.215 -1.517 1.00 0.00 N ATOM 731 CA LEU A 49 6.495 -2.266 -1.299 1.00 0.00 C ATOM 732 C LEU A 49 7.259 -2.721 -0.059 1.00 0.00 C ATOM 733 O LEU A 49 6.665 -3.192 0.885 1.00 0.00 O ATOM 734 CB LEU A 49 5.886 -0.869 -1.080 1.00 0.00 C ATOM 735 CG LEU A 49 6.301 0.073 -2.222 1.00 0.00 C ATOM 736 CD1 LEU A 49 5.758 1.480 -1.961 1.00 0.00 C ATOM 737 CD2 LEU A 49 7.827 0.151 -2.317 1.00 0.00 C ATOM 0 H LEU A 49 4.891 -3.521 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 49 7.180 -2.239 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.799 -0.941 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.220 -0.464 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 49 5.894 -0.318 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.056 2.142 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.670 1.445 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.161 1.857 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.107 0.821 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.231 0.530 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.231 -0.843 -2.511 1.00 0.00 H new ATOM 749 N CYS A 50 8.559 -2.592 -0.042 1.00 0.00 N ATOM 750 CA CYS A 50 9.317 -3.033 1.163 1.00 0.00 C ATOM 751 C CYS A 50 9.765 -1.819 1.979 1.00 0.00 C ATOM 752 O CYS A 50 9.976 -0.746 1.451 1.00 0.00 O ATOM 753 CB CYS A 50 10.495 -3.878 0.641 1.00 0.00 C ATOM 754 SG CYS A 50 11.784 -2.844 -0.104 1.00 0.00 S ATOM 0 H CYS A 50 9.122 -2.206 -0.800 1.00 0.00 H new ATOM 0 HA CYS A 50 8.710 -3.632 1.842 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.921 -4.455 1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.131 -4.593 -0.096 1.00 0.00 H new ATOM 759 N LEU A 51 9.906 -1.992 3.262 1.00 0.00 N ATOM 760 CA LEU A 51 10.330 -0.865 4.148 1.00 0.00 C ATOM 761 C LEU A 51 11.657 -0.275 3.675 1.00 0.00 C ATOM 762 O LEU A 51 11.985 0.854 3.993 1.00 0.00 O ATOM 763 CB LEU A 51 10.485 -1.469 5.551 1.00 0.00 C ATOM 764 CG LEU A 51 11.486 -2.631 5.527 1.00 0.00 C ATOM 765 CD1 LEU A 51 12.907 -2.103 5.751 1.00 0.00 C ATOM 766 CD2 LEU A 51 11.133 -3.620 6.640 1.00 0.00 C ATOM 0 H LEU A 51 9.744 -2.876 3.744 1.00 0.00 H new ATOM 0 HA LEU A 51 9.600 -0.056 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.825 -0.703 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.518 -1.821 5.911 1.00 0.00 H new ATOM 0 HG LEU A 51 11.438 -3.128 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.611 -2.935 5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 51 13.161 -1.395 4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.961 -1.603 6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.841 -4.449 6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.182 -3.115 7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.125 -4.002 6.481 1.00 0.00 H new ATOM 778 N ASN A 52 12.425 -1.026 2.930 1.00 0.00 N ATOM 779 CA ASN A 52 13.737 -0.502 2.452 1.00 0.00 C ATOM 780 C ASN A 52 13.525 0.739 1.579 1.00 0.00 C ATOM 781 O ASN A 52 14.057 1.797 1.858 1.00 0.00 O ATOM 782 CB ASN A 52 14.337 -1.636 1.619 1.00 0.00 C ATOM 783 CG ASN A 52 15.862 -1.550 1.653 1.00 0.00 C ATOM 784 OD1 ASN A 52 16.424 -0.475 1.581 1.00 0.00 O ATOM 785 ND2 ASN A 52 16.560 -2.648 1.761 1.00 0.00 N ATOM 0 H ASN A 52 12.201 -1.976 2.633 1.00 0.00 H new ATOM 0 HA ASN A 52 14.387 -0.208 3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.009 -2.599 2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.982 -1.571 0.590 1.00 0.00 H new ATOM 0 HD21 ASN A 52 17.579 -2.604 1.785 1.00 0.00 H new ATOM 0 HD22 ASN A 52 16.087 -3.549 1.821 1.00 0.00 H new ATOM 792 N CYS A 53 12.733 0.622 0.539 1.00 0.00 N ATOM 793 CA CYS A 53 12.468 1.810 -0.336 1.00 0.00 C ATOM 794 C CYS A 53 11.198 2.532 0.119 1.00 0.00 C ATOM 795 O CYS A 53 11.045 3.724 -0.071 1.00 0.00 O ATOM 796 CB CYS A 53 12.354 1.281 -1.776 1.00 0.00 C ATOM 797 SG CYS A 53 10.959 0.140 -1.940 1.00 0.00 S ATOM 0 H CYS A 53 12.261 -0.238 0.259 1.00 0.00 H new ATOM 0 HA CYS A 53 13.271 2.544 -0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.228 2.116 -2.465 1.00 0.00 H new ATOM 0 HB3 CYS A 53 13.278 0.774 -2.055 1.00 0.00 H new ATOM 802 N LEU A 54 10.282 1.808 0.715 1.00 0.00 N ATOM 803 CA LEU A 54 9.005 2.432 1.182 1.00 0.00 C ATOM 804 C LEU A 54 9.306 3.530 2.204 1.00 0.00 C ATOM 805 O LEU A 54 8.732 4.594 2.158 1.00 0.00 O ATOM 806 CB LEU A 54 8.227 1.287 1.840 1.00 0.00 C ATOM 807 CG LEU A 54 6.842 1.764 2.273 1.00 0.00 C ATOM 808 CD1 LEU A 54 5.935 0.551 2.451 1.00 0.00 C ATOM 809 CD2 LEU A 54 6.932 2.518 3.604 1.00 0.00 C ATOM 0 H LEU A 54 10.364 0.808 0.899 1.00 0.00 H new ATOM 0 HA LEU A 54 8.444 2.894 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.130 0.456 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.777 0.915 2.704 1.00 0.00 H new ATOM 0 HG LEU A 54 6.440 2.432 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.943 0.881 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.860 0.011 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.353 -0.107 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.938 2.852 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.336 1.857 4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.586 3.382 3.489 1.00 0.00 H new ATOM 821 N THR A 55 10.200 3.276 3.118 1.00 0.00 N ATOM 822 CA THR A 55 10.553 4.308 4.145 1.00 0.00 C ATOM 823 C THR A 55 11.198 5.526 3.468 1.00 0.00 C ATOM 824 O THR A 55 10.914 6.655 3.819 1.00 0.00 O ATOM 825 CB THR A 55 11.541 3.608 5.090 1.00 0.00 C ATOM 826 OG1 THR A 55 10.889 2.525 5.738 1.00 0.00 O ATOM 827 CG2 THR A 55 12.068 4.597 6.138 1.00 0.00 C ATOM 0 H THR A 55 10.707 2.395 3.202 1.00 0.00 H new ATOM 0 HA THR A 55 9.681 4.678 4.684 1.00 0.00 H new ATOM 0 HB THR A 55 12.383 3.233 4.508 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.115 1.687 5.283 1.00 0.00 H new ATOM 0 HG21 THR A 55 12.767 4.087 6.801 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.578 5.420 5.637 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.234 4.988 6.721 1.00 0.00 H new ATOM 835 N LEU A 56 12.068 5.306 2.510 1.00 0.00 N ATOM 836 CA LEU A 56 12.736 6.461 1.824 1.00 0.00 C ATOM 837 C LEU A 56 11.684 7.372 1.179 1.00 0.00 C ATOM 838 O LEU A 56 11.736 8.579 1.319 1.00 0.00 O ATOM 839 CB LEU A 56 13.643 5.826 0.757 1.00 0.00 C ATOM 840 CG LEU A 56 14.347 6.918 -0.062 1.00 0.00 C ATOM 841 CD1 LEU A 56 15.192 7.808 0.855 1.00 0.00 C ATOM 842 CD2 LEU A 56 15.255 6.263 -1.106 1.00 0.00 C ATOM 0 H LEU A 56 12.344 4.383 2.174 1.00 0.00 H new ATOM 0 HA LEU A 56 13.306 7.081 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.384 5.185 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.051 5.192 0.097 1.00 0.00 H new ATOM 0 HG LEU A 56 13.593 7.531 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.685 8.578 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.549 8.280 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.944 7.201 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.756 7.036 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.001 5.646 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.656 5.640 -1.770 1.00 0.00 H new ATOM 854 N LEU A 57 10.719 6.803 0.502 1.00 0.00 N ATOM 855 CA LEU A 57 9.648 7.640 -0.120 1.00 0.00 C ATOM 856 C LEU A 57 8.377 7.574 0.731 1.00 0.00 C ATOM 857 O LEU A 57 7.308 7.928 0.277 1.00 0.00 O ATOM 858 CB LEU A 57 9.374 7.015 -1.490 1.00 0.00 C ATOM 859 CG LEU A 57 8.579 8.006 -2.347 1.00 0.00 C ATOM 860 CD1 LEU A 57 9.478 9.179 -2.729 1.00 0.00 C ATOM 861 CD2 LEU A 57 8.077 7.308 -3.612 1.00 0.00 C ATOM 0 H LEU A 57 10.626 5.798 0.353 1.00 0.00 H new ATOM 0 HA LEU A 57 9.950 8.684 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.313 6.762 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.815 6.086 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 57 7.724 8.373 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.915 9.886 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.828 9.678 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.334 8.812 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.512 8.016 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.927 6.937 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.433 6.473 -3.336 1.00 0.00 H new ATOM 873 N LEU A 58 8.465 7.088 1.953 1.00 0.00 N ATOM 874 CA LEU A 58 7.238 6.950 2.806 1.00 0.00 C ATOM 875 C LEU A 58 6.273 5.978 2.121 1.00 0.00 C ATOM 876 O LEU A 58 6.337 5.786 0.920 1.00 0.00 O ATOM 877 CB LEU A 58 6.620 8.355 2.908 1.00 0.00 C ATOM 878 CG LEU A 58 6.551 8.805 4.371 1.00 0.00 C ATOM 879 CD1 LEU A 58 5.656 7.853 5.167 1.00 0.00 C ATOM 880 CD2 LEU A 58 7.957 8.833 4.980 1.00 0.00 C ATOM 0 H LEU A 58 9.333 6.782 2.393 1.00 0.00 H new ATOM 0 HA LEU A 58 7.462 6.562 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.215 9.063 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.620 8.351 2.475 1.00 0.00 H new ATOM 0 HG LEU A 58 6.129 9.809 4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.612 8.179 6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.652 7.857 4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.066 6.844 5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.897 9.154 6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.394 7.835 4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.582 9.529 4.421 1.00 0.00 H new ATOM 892 N SER A 59 5.369 5.373 2.851 1.00 0.00 N ATOM 893 CA SER A 59 4.406 4.447 2.181 1.00 0.00 C ATOM 894 C SER A 59 3.509 5.306 1.295 1.00 0.00 C ATOM 895 O SER A 59 3.430 5.125 0.094 1.00 0.00 O ATOM 896 CB SER A 59 3.611 3.777 3.301 1.00 0.00 C ATOM 897 OG SER A 59 2.942 4.770 4.066 1.00 0.00 O ATOM 0 H SER A 59 5.257 5.476 3.860 1.00 0.00 H new ATOM 0 HA SER A 59 4.882 3.684 1.565 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.888 3.078 2.880 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.279 3.199 3.940 1.00 0.00 H new ATOM 0 HG SER A 59 2.431 4.341 4.783 1.00 0.00 H new ATOM 903 N VAL A 60 2.885 6.284 1.891 1.00 0.00 N ATOM 904 CA VAL A 60 2.034 7.230 1.121 1.00 0.00 C ATOM 905 C VAL A 60 2.065 8.606 1.791 1.00 0.00 C ATOM 906 O VAL A 60 1.050 9.090 2.258 1.00 0.00 O ATOM 907 CB VAL A 60 0.617 6.656 1.132 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.604 5.308 0.414 1.00 0.00 C ATOM 909 CG2 VAL A 60 0.131 6.478 2.575 1.00 0.00 C ATOM 0 H VAL A 60 2.930 6.469 2.893 1.00 0.00 H new ATOM 0 HA VAL A 60 2.390 7.350 0.098 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.050 7.347 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.407 4.901 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.932 5.442 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.278 4.618 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.879 6.069 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.797 5.795 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.129 7.444 3.080 1.00 0.00 H new ATOM 919 N SER A 61 3.217 9.248 1.852 1.00 0.00 N ATOM 920 CA SER A 61 3.282 10.604 2.501 1.00 0.00 C ATOM 921 C SER A 61 2.219 11.514 1.885 1.00 0.00 C ATOM 922 O SER A 61 1.546 12.264 2.567 1.00 0.00 O ATOM 923 CB SER A 61 4.680 11.143 2.206 1.00 0.00 C ATOM 924 OG SER A 61 4.872 11.213 0.799 1.00 0.00 O ATOM 0 H SER A 61 4.102 8.897 1.486 1.00 0.00 H new ATOM 0 HA SER A 61 3.097 10.555 3.574 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.802 12.131 2.650 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.433 10.496 2.655 1.00 0.00 H new ATOM 0 HG SER A 61 5.768 11.560 0.608 1.00 0.00 H new ATOM 930 N ASN A 62 2.042 11.404 0.600 1.00 0.00 N ATOM 931 CA ASN A 62 1.000 12.202 -0.092 1.00 0.00 C ATOM 932 C ASN A 62 0.104 11.250 -0.881 1.00 0.00 C ATOM 933 O ASN A 62 -1.106 11.273 -0.764 1.00 0.00 O ATOM 934 CB ASN A 62 1.755 13.136 -1.038 1.00 0.00 C ATOM 935 CG ASN A 62 0.784 14.173 -1.607 1.00 0.00 C ATOM 936 OD1 ASN A 62 -0.093 14.646 -0.911 1.00 0.00 O ATOM 937 ND2 ASN A 62 0.900 14.545 -2.851 1.00 0.00 N ATOM 0 H ASN A 62 2.583 10.787 -0.006 1.00 0.00 H new ATOM 0 HA ASN A 62 0.373 12.768 0.597 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.566 13.634 -0.506 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.209 12.564 -1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.255 15.233 -3.240 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.636 14.148 -3.435 1.00 0.00 H new ATOM 944 N ARG A 63 0.705 10.413 -1.686 1.00 0.00 N ATOM 945 CA ARG A 63 -0.091 9.444 -2.502 1.00 0.00 C ATOM 946 C ARG A 63 0.771 8.250 -2.943 1.00 0.00 C ATOM 947 O ARG A 63 1.941 8.406 -3.243 1.00 0.00 O ATOM 948 CB ARG A 63 -0.546 10.255 -3.722 1.00 0.00 C ATOM 949 CG ARG A 63 0.679 10.791 -4.474 1.00 0.00 C ATOM 950 CD ARG A 63 0.230 11.622 -5.672 1.00 0.00 C ATOM 951 NE ARG A 63 1.502 12.062 -6.323 1.00 0.00 N ATOM 952 CZ ARG A 63 2.218 11.239 -7.064 1.00 0.00 C ATOM 953 NH1 ARG A 63 1.821 10.012 -7.310 1.00 0.00 N ATOM 954 NH2 ARG A 63 3.354 11.650 -7.554 1.00 0.00 N ATOM 0 H ARG A 63 1.715 10.357 -1.815 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.925 9.025 -1.939 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.145 9.629 -4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.180 11.083 -3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.289 11.400 -3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.303 9.962 -4.809 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.382 11.034 -6.355 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.371 12.476 -5.359 1.00 0.00 H new ATOM 0 HE ARG A 63 1.823 13.021 -6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.939 9.674 -6.925 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.395 9.396 -7.887 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.679 12.598 -7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.918 11.024 -8.129 1.00 0.00 H new ATOM 968 N CYS A 64 0.194 7.073 -3.039 1.00 0.00 N ATOM 969 CA CYS A 64 0.983 5.898 -3.525 1.00 0.00 C ATOM 970 C CYS A 64 0.939 5.921 -5.062 1.00 0.00 C ATOM 971 O CYS A 64 -0.118 5.751 -5.639 1.00 0.00 O ATOM 972 CB CYS A 64 0.288 4.650 -2.970 1.00 0.00 C ATOM 973 SG CYS A 64 1.470 3.272 -2.964 1.00 0.00 S ATOM 0 H CYS A 64 -0.779 6.878 -2.804 1.00 0.00 H new ATOM 0 HA CYS A 64 2.024 5.913 -3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.076 4.839 -1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.580 4.399 -3.580 1.00 0.00 H new ATOM 978 N PRO A 65 2.067 6.186 -5.689 1.00 0.00 N ATOM 979 CA PRO A 65 2.089 6.294 -7.173 1.00 0.00 C ATOM 980 C PRO A 65 1.810 4.952 -7.859 1.00 0.00 C ATOM 981 O PRO A 65 1.216 4.914 -8.922 1.00 0.00 O ATOM 982 CB PRO A 65 3.511 6.771 -7.475 1.00 0.00 C ATOM 983 CG PRO A 65 4.319 6.334 -6.300 1.00 0.00 C ATOM 984 CD PRO A 65 3.404 6.393 -5.108 1.00 0.00 C ATOM 0 HA PRO A 65 1.315 6.966 -7.545 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.887 6.332 -8.399 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.547 7.853 -7.599 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.701 5.324 -6.446 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.182 6.984 -6.159 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.647 5.622 -4.377 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.474 7.352 -4.595 1.00 0.00 H new ATOM 992 N ILE A 66 2.234 3.858 -7.278 1.00 0.00 N ATOM 993 CA ILE A 66 1.987 2.533 -7.929 1.00 0.00 C ATOM 994 C ILE A 66 0.510 2.140 -7.840 1.00 0.00 C ATOM 995 O ILE A 66 -0.074 1.704 -8.815 1.00 0.00 O ATOM 996 CB ILE A 66 2.885 1.527 -7.209 1.00 0.00 C ATOM 997 CG1 ILE A 66 4.344 1.997 -7.297 1.00 0.00 C ATOM 998 CG2 ILE A 66 2.751 0.160 -7.886 1.00 0.00 C ATOM 999 CD1 ILE A 66 5.242 1.061 -6.492 1.00 0.00 C ATOM 0 H ILE A 66 2.735 3.823 -6.390 1.00 0.00 H new ATOM 0 HA ILE A 66 2.221 2.566 -8.993 1.00 0.00 H new ATOM 0 HB ILE A 66 2.588 1.450 -6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.666 2.018 -8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.431 3.015 -6.916 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.389 -0.562 -7.377 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.714 -0.172 -7.834 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.054 0.240 -8.930 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.275 1.401 -6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.927 1.063 -5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.166 0.050 -6.892 1.00 0.00 H new ATOM 1011 N CYS A 67 -0.109 2.309 -6.694 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.560 1.960 -6.580 1.00 0.00 C ATOM 1013 C CYS A 67 -2.381 2.828 -7.539 1.00 0.00 C ATOM 1014 O CYS A 67 -3.501 2.498 -7.880 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.952 2.230 -5.126 1.00 0.00 C ATOM 1016 SG CYS A 67 -1.263 0.938 -4.060 1.00 0.00 S ATOM 0 H CYS A 67 0.323 2.669 -5.843 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.749 0.920 -6.845 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.583 3.207 -4.815 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.038 2.254 -5.030 1.00 0.00 H new ATOM 1021 N LYS A 68 -1.827 3.936 -7.987 1.00 0.00 N ATOM 1022 CA LYS A 68 -2.562 4.834 -8.933 1.00 0.00 C ATOM 1023 C LYS A 68 -3.846 5.347 -8.290 1.00 0.00 C ATOM 1024 O LYS A 68 -4.827 5.596 -8.966 1.00 0.00 O ATOM 1025 CB LYS A 68 -2.886 3.970 -10.161 1.00 0.00 C ATOM 1026 CG LYS A 68 -2.652 4.776 -11.435 1.00 0.00 C ATOM 1027 CD LYS A 68 -2.813 3.858 -12.645 1.00 0.00 C ATOM 1028 CE LYS A 68 -2.530 4.645 -13.925 1.00 0.00 C ATOM 1029 NZ LYS A 68 -3.627 5.649 -14.012 1.00 0.00 N ATOM 0 H LYS A 68 -0.892 4.255 -7.734 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.968 5.707 -9.202 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.261 3.077 -10.164 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.922 3.633 -10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.361 5.602 -11.493 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.654 5.213 -11.425 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.129 3.013 -12.567 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.823 3.449 -12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.554 5.129 -13.883 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.524 3.991 -14.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.766 5.926 -15.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.506 5.235 -13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.376 6.487 -13.450 1.00 0.00 H new ATOM 1043 N MET A 69 -3.846 5.512 -6.994 1.00 0.00 N ATOM 1044 CA MET A 69 -5.077 6.016 -6.313 1.00 0.00 C ATOM 1045 C MET A 69 -4.730 7.132 -5.310 1.00 0.00 C ATOM 1046 O MET A 69 -3.724 7.057 -4.633 1.00 0.00 O ATOM 1047 CB MET A 69 -5.670 4.804 -5.603 1.00 0.00 C ATOM 1048 CG MET A 69 -6.389 3.930 -6.631 1.00 0.00 C ATOM 1049 SD MET A 69 -7.941 4.724 -7.115 1.00 0.00 S ATOM 1050 CE MET A 69 -8.859 3.212 -7.495 1.00 0.00 C ATOM 0 H MET A 69 -3.054 5.322 -6.380 1.00 0.00 H new ATOM 0 HA MET A 69 -5.783 6.452 -7.020 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.883 4.234 -5.109 1.00 0.00 H new ATOM 0 HB3 MET A 69 -6.366 5.125 -4.828 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.755 3.782 -7.505 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.588 2.944 -6.211 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.866 3.470 -7.821 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.349 2.667 -8.289 1.00 0.00 H new ATOM 0 HE3 MET A 69 -8.915 2.587 -6.604 1.00 0.00 H new ATOM 1060 N PRO A 70 -5.574 8.148 -5.255 1.00 0.00 N ATOM 1061 CA PRO A 70 -5.332 9.282 -4.336 1.00 0.00 C ATOM 1062 C PRO A 70 -5.800 8.950 -2.914 1.00 0.00 C ATOM 1063 O PRO A 70 -6.696 8.151 -2.717 1.00 0.00 O ATOM 1064 CB PRO A 70 -6.177 10.406 -4.929 1.00 0.00 C ATOM 1065 CG PRO A 70 -7.277 9.726 -5.686 1.00 0.00 C ATOM 1066 CD PRO A 70 -6.816 8.330 -6.025 1.00 0.00 C ATOM 0 HA PRO A 70 -4.276 9.537 -4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.579 11.049 -4.146 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.581 11.039 -5.587 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.187 9.692 -5.087 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.514 10.280 -6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.565 7.588 -5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.638 8.221 -7.095 1.00 0.00 H new ATOM 1074 N LEU A 71 -5.210 9.576 -1.929 1.00 0.00 N ATOM 1075 CA LEU A 71 -5.622 9.325 -0.516 1.00 0.00 C ATOM 1076 C LEU A 71 -5.932 10.663 0.172 1.00 0.00 C ATOM 1077 O LEU A 71 -5.169 11.122 1.000 1.00 0.00 O ATOM 1078 CB LEU A 71 -4.421 8.642 0.138 1.00 0.00 C ATOM 1079 CG LEU A 71 -4.331 7.197 -0.353 1.00 0.00 C ATOM 1080 CD1 LEU A 71 -3.358 7.120 -1.530 1.00 0.00 C ATOM 1081 CD2 LEU A 71 -3.831 6.302 0.784 1.00 0.00 C ATOM 0 H LEU A 71 -4.456 10.254 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.518 8.708 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.505 9.179 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.522 8.664 1.223 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.316 6.859 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.293 6.090 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.714 7.757 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.372 7.457 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.767 5.272 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.845 6.638 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.525 6.358 1.623 1.00 0.00 H new ATOM 1093 N PRO A 72 -7.044 11.261 -0.201 1.00 0.00 N ATOM 1094 CA PRO A 72 -7.429 12.566 0.391 1.00 0.00 C ATOM 1095 C PRO A 72 -7.770 12.411 1.875 1.00 0.00 C ATOM 1096 O PRO A 72 -8.348 11.424 2.291 1.00 0.00 O ATOM 1097 CB PRO A 72 -8.655 12.982 -0.420 1.00 0.00 C ATOM 1098 CG PRO A 72 -9.215 11.700 -0.942 1.00 0.00 C ATOM 1099 CD PRO A 72 -8.039 10.795 -1.182 1.00 0.00 C ATOM 0 HA PRO A 72 -6.629 13.306 0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.381 13.508 0.200 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.383 13.656 -1.233 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.907 11.257 -0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.773 11.866 -1.864 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.299 9.748 -1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.667 10.881 -2.203 1.00 0.00 H new ATOM 1107 N THR A 73 -7.415 13.386 2.673 1.00 0.00 N ATOM 1108 CA THR A 73 -7.714 13.317 4.135 1.00 0.00 C ATOM 1109 C THR A 73 -9.215 13.473 4.377 1.00 0.00 C ATOM 1110 O THR A 73 -9.758 12.945 5.328 1.00 0.00 O ATOM 1111 CB THR A 73 -6.941 14.480 4.761 1.00 0.00 C ATOM 1112 OG1 THR A 73 -7.345 15.697 4.150 1.00 0.00 O ATOM 1113 CG2 THR A 73 -5.444 14.268 4.544 1.00 0.00 C ATOM 0 H THR A 73 -6.929 14.231 2.373 1.00 0.00 H new ATOM 0 HA THR A 73 -7.422 12.360 4.568 1.00 0.00 H new ATOM 0 HB THR A 73 -7.149 14.526 5.830 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.852 16.443 4.551 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.891 15.095 4.989 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.137 13.333 5.012 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.234 14.224 3.475 1.00 0.00 H new ATOM 1121 N LYS A 74 -9.894 14.206 3.523 1.00 0.00 N ATOM 1122 CA LYS A 74 -11.371 14.416 3.692 1.00 0.00 C ATOM 1123 C LYS A 74 -11.668 15.001 5.076 1.00 0.00 C ATOM 1124 O LYS A 74 -12.682 14.707 5.681 1.00 0.00 O ATOM 1125 CB LYS A 74 -12.001 13.024 3.547 1.00 0.00 C ATOM 1126 CG LYS A 74 -13.224 13.095 2.630 1.00 0.00 C ATOM 1127 CD LYS A 74 -13.726 11.676 2.358 1.00 0.00 C ATOM 1128 CE LYS A 74 -14.255 11.063 3.658 1.00 0.00 C ATOM 1129 NZ LYS A 74 -14.748 9.712 3.271 1.00 0.00 N ATOM 0 H LYS A 74 -9.486 14.670 2.712 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.771 15.116 2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.270 12.326 3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.292 12.644 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.010 13.689 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.964 13.588 1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.514 11.696 1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.918 11.064 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.470 10.996 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.055 11.669 4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.127 9.227 4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.499 9.808 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.963 9.156 2.875 1.00 0.00 H new ATOM 1143 N LEU A 75 -10.786 15.827 5.575 1.00 0.00 N ATOM 1144 CA LEU A 75 -10.999 16.441 6.918 1.00 0.00 C ATOM 1145 C LEU A 75 -11.154 17.955 6.787 1.00 0.00 C ATOM 1146 O LEU A 75 -10.329 18.623 6.193 1.00 0.00 O ATOM 1147 CB LEU A 75 -9.740 16.104 7.715 1.00 0.00 C ATOM 1148 CG LEU A 75 -9.906 16.583 9.158 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -11.035 15.803 9.837 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -8.599 16.354 9.920 1.00 0.00 C ATOM 0 H LEU A 75 -9.923 16.104 5.107 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.901 16.067 7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.562 15.029 7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.871 16.580 7.260 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.152 17.645 9.160 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.149 16.148 10.865 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.966 15.965 9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.795 14.740 9.836 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.713 16.694 10.949 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.356 15.292 9.914 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.795 16.913 9.440 1.00 0.00 H new ATOM 1162 N ARG A 76 -12.208 18.498 7.338 1.00 0.00 N ATOM 1163 CA ARG A 76 -12.427 19.972 7.247 1.00 0.00 C ATOM 1164 C ARG A 76 -12.510 20.595 8.650 1.00 0.00 C ATOM 1165 O ARG A 76 -12.956 19.953 9.581 1.00 0.00 O ATOM 1166 CB ARG A 76 -13.757 20.136 6.507 1.00 0.00 C ATOM 1167 CG ARG A 76 -14.872 19.414 7.270 1.00 0.00 C ATOM 1168 CD ARG A 76 -16.228 19.817 6.690 1.00 0.00 C ATOM 1169 NE ARG A 76 -16.570 18.739 5.710 1.00 0.00 N ATOM 1170 CZ ARG A 76 -17.558 18.890 4.853 1.00 0.00 C ATOM 1171 NH1 ARG A 76 -18.468 19.820 5.020 1.00 0.00 N ATOM 1172 NH2 ARG A 76 -17.640 18.092 3.824 1.00 0.00 N ATOM 0 H ARG A 76 -12.927 17.984 7.847 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.608 20.473 6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -13.999 21.194 6.407 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.674 19.731 5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.739 18.335 7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.827 19.669 8.329 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.984 19.893 7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.174 20.790 6.202 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.029 17.874 5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.418 20.443 5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.225 19.920 4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.943 17.360 3.690 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -18.401 18.200 3.154 1.00 0.00 H new ATOM 1186 N PRO A 77 -12.076 21.834 8.762 1.00 0.00 N ATOM 1187 CA PRO A 77 -12.114 22.530 10.070 1.00 0.00 C ATOM 1188 C PRO A 77 -13.546 22.965 10.405 1.00 0.00 C ATOM 1189 O PRO A 77 -14.357 23.183 9.524 1.00 0.00 O ATOM 1190 CB PRO A 77 -11.209 23.740 9.859 1.00 0.00 C ATOM 1191 CG PRO A 77 -11.241 24.004 8.387 1.00 0.00 C ATOM 1192 CD PRO A 77 -11.522 22.693 7.700 1.00 0.00 C ATOM 0 HA PRO A 77 -11.788 21.902 10.900 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.567 24.602 10.421 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.194 23.536 10.200 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -12.011 24.737 8.145 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -10.290 24.418 8.051 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -12.229 22.818 6.880 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -10.614 22.264 7.275 1.00 0.00 H new ATOM 1200 N SER A 78 -13.857 23.097 11.670 1.00 0.00 N ATOM 1201 CA SER A 78 -15.233 23.522 12.071 1.00 0.00 C ATOM 1202 C SER A 78 -15.363 25.046 11.975 1.00 0.00 C ATOM 1203 O SER A 78 -14.379 25.754 11.865 1.00 0.00 O ATOM 1204 CB SER A 78 -15.389 23.061 13.519 1.00 0.00 C ATOM 1205 OG SER A 78 -14.514 23.811 14.349 1.00 0.00 O ATOM 0 H SER A 78 -13.215 22.928 12.445 1.00 0.00 H new ATOM 0 HA SER A 78 -16.000 23.095 11.425 1.00 0.00 H new ATOM 0 HB2 SER A 78 -16.420 23.194 13.845 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.163 21.998 13.600 1.00 0.00 H new ATOM 0 HG SER A 78 -14.614 23.518 15.279 1.00 0.00 H new ATOM 1211 N ALA A 79 -16.570 25.552 12.018 1.00 0.00 N ATOM 1212 CA ALA A 79 -16.768 27.032 11.931 1.00 0.00 C ATOM 1213 C ALA A 79 -16.084 27.727 13.110 1.00 0.00 C ATOM 1214 O ALA A 79 -15.469 28.765 12.959 1.00 0.00 O ATOM 1215 CB ALA A 79 -18.283 27.242 11.998 1.00 0.00 C ATOM 0 H ALA A 79 -17.426 25.005 12.109 1.00 0.00 H new ATOM 0 HA ALA A 79 -16.339 27.448 11.019 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -18.506 28.307 11.940 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -18.759 26.726 11.164 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -18.664 26.843 12.938 1.00 0.00 H new ATOM 1221 N ALA A 80 -16.188 27.159 14.290 1.00 0.00 N ATOM 1222 CA ALA A 80 -15.550 27.776 15.501 1.00 0.00 C ATOM 1223 C ALA A 80 -15.962 29.254 15.632 1.00 0.00 C ATOM 1224 O ALA A 80 -15.279 30.126 15.131 1.00 0.00 O ATOM 1225 CB ALA A 80 -14.041 27.649 15.276 1.00 0.00 C ATOM 0 H ALA A 80 -16.690 26.289 14.468 1.00 0.00 H new ATOM 0 HA ALA A 80 -15.861 27.282 16.422 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.509 28.080 16.124 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.775 26.596 15.178 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.763 28.180 14.365 1.00 0.00 H new ATOM 1231 N PRO A 81 -17.076 29.491 16.291 1.00 0.00 N ATOM 1232 CA PRO A 81 -17.567 30.880 16.458 1.00 0.00 C ATOM 1233 C PRO A 81 -16.692 31.640 17.457 1.00 0.00 C ATOM 1234 O PRO A 81 -16.220 31.083 18.430 1.00 0.00 O ATOM 1235 CB PRO A 81 -18.984 30.702 16.996 1.00 0.00 C ATOM 1236 CG PRO A 81 -18.978 29.367 17.667 1.00 0.00 C ATOM 1237 CD PRO A 81 -17.968 28.515 16.942 1.00 0.00 C ATOM 0 HA PRO A 81 -17.541 31.457 15.533 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -19.242 31.495 17.698 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -19.719 30.736 16.192 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -18.715 29.466 18.720 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -19.967 28.911 17.627 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -17.420 27.872 17.631 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -18.447 27.863 16.211 1.00 0.00 H new ATOM 1245 N THR A 82 -16.482 32.910 17.226 1.00 0.00 N ATOM 1246 CA THR A 82 -15.648 33.718 18.164 1.00 0.00 C ATOM 1247 C THR A 82 -16.535 34.605 19.040 1.00 0.00 C ATOM 1248 O THR A 82 -16.119 35.064 20.087 1.00 0.00 O ATOM 1249 CB THR A 82 -14.759 34.579 17.268 1.00 0.00 C ATOM 1250 OG1 THR A 82 -15.575 35.368 16.412 1.00 0.00 O ATOM 1251 CG2 THR A 82 -13.854 33.679 16.431 1.00 0.00 C ATOM 0 H THR A 82 -16.853 33.423 16.426 1.00 0.00 H new ATOM 0 HA THR A 82 -15.065 33.088 18.836 1.00 0.00 H new ATOM 0 HB THR A 82 -14.143 35.233 17.885 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.006 35.922 15.838 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.220 34.294 15.792 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.229 33.077 17.091 1.00 0.00 H new ATOM 0 HG23 THR A 82 -14.466 33.023 15.812 1.00 0.00 H new ATOM 1259 N ALA A 83 -17.754 34.853 18.621 1.00 0.00 N ATOM 1260 CA ALA A 83 -18.660 35.713 19.432 1.00 0.00 C ATOM 1261 C ALA A 83 -20.080 35.133 19.451 1.00 0.00 C ATOM 1262 O ALA A 83 -20.433 34.342 18.598 1.00 0.00 O ATOM 1263 CB ALA A 83 -18.649 37.074 18.737 1.00 0.00 C ATOM 0 H ALA A 83 -18.155 34.496 17.754 1.00 0.00 H new ATOM 0 HA ALA A 83 -18.334 35.781 20.470 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -19.296 37.764 19.278 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.632 37.466 18.721 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.011 36.963 17.715 1.00 0.00 H new ATOM 1269 N PRO A 84 -20.857 35.546 20.428 1.00 0.00 N ATOM 1270 CA PRO A 84 -22.248 35.049 20.543 1.00 0.00 C ATOM 1271 C PRO A 84 -23.146 35.699 19.478 1.00 0.00 C ATOM 1272 O PRO A 84 -22.730 36.621 18.805 1.00 0.00 O ATOM 1273 CB PRO A 84 -22.673 35.485 21.940 1.00 0.00 C ATOM 1274 CG PRO A 84 -21.812 36.665 22.261 1.00 0.00 C ATOM 1275 CD PRO A 84 -20.523 36.495 21.504 1.00 0.00 C ATOM 0 HA PRO A 84 -22.326 33.972 20.392 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -23.730 35.750 21.965 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -22.528 34.683 22.664 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -22.308 37.592 21.973 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -21.624 36.723 23.333 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -20.169 37.444 21.102 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -19.732 36.107 22.146 1.00 0.00 H new ATOM 1283 N PRO A 85 -24.358 35.199 19.359 1.00 0.00 N ATOM 1284 CA PRO A 85 -25.308 35.756 18.365 1.00 0.00 C ATOM 1285 C PRO A 85 -25.807 37.133 18.812 1.00 0.00 C ATOM 1286 O PRO A 85 -25.931 37.402 19.993 1.00 0.00 O ATOM 1287 CB PRO A 85 -26.449 34.741 18.350 1.00 0.00 C ATOM 1288 CG PRO A 85 -26.396 34.080 19.690 1.00 0.00 C ATOM 1289 CD PRO A 85 -24.956 34.091 20.126 1.00 0.00 C ATOM 0 HA PRO A 85 -24.861 35.901 17.382 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -27.410 35.230 18.189 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -26.321 34.015 17.547 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -27.021 34.611 20.408 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -26.774 33.059 19.632 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -24.866 34.255 21.200 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -24.465 33.143 19.906 1.00 0.00 H new ATOM 1297 N THR A 86 -26.099 38.003 17.878 1.00 0.00 N ATOM 1298 CA THR A 86 -26.599 39.361 18.244 1.00 0.00 C ATOM 1299 C THR A 86 -28.119 39.327 18.422 1.00 0.00 C ATOM 1300 O THR A 86 -28.779 38.401 17.988 1.00 0.00 O ATOM 1301 CB THR A 86 -26.212 40.258 17.067 1.00 0.00 C ATOM 1302 OG1 THR A 86 -26.635 39.651 15.853 1.00 0.00 O ATOM 1303 CG2 THR A 86 -24.694 40.446 17.042 1.00 0.00 C ATOM 0 H THR A 86 -26.012 37.830 16.877 1.00 0.00 H new ATOM 0 HA THR A 86 -26.176 39.722 19.182 1.00 0.00 H new ATOM 0 HB THR A 86 -26.694 41.229 17.177 1.00 0.00 H new ATOM 0 HG1 THR A 86 -26.390 40.225 15.097 1.00 0.00 H new ATOM 0 HG21 THR A 86 -24.420 41.085 16.203 1.00 0.00 H new ATOM 0 HG22 THR A 86 -24.370 40.911 17.973 1.00 0.00 H new ATOM 0 HG23 THR A 86 -24.209 39.476 16.932 1.00 0.00 H new ATOM 1311 N GLY A 87 -28.676 40.326 19.057 1.00 0.00 N ATOM 1312 CA GLY A 87 -30.154 40.355 19.265 1.00 0.00 C ATOM 1313 C GLY A 87 -30.494 39.687 20.600 1.00 0.00 C ATOM 1314 O GLY A 87 -30.350 38.489 20.757 1.00 0.00 O ATOM 0 H GLY A 87 -28.170 41.124 19.441 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -30.513 41.384 19.259 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -30.657 39.837 18.448 1.00 0.00 H new ATOM 1318 N ALA A 88 -30.945 40.454 21.559 1.00 0.00 N ATOM 1319 CA ALA A 88 -31.300 39.872 22.888 1.00 0.00 C ATOM 1320 C ALA A 88 -32.619 40.465 23.389 1.00 0.00 C ATOM 1321 O ALA A 88 -32.835 41.660 23.325 1.00 0.00 O ATOM 1322 CB ALA A 88 -30.148 40.267 23.812 1.00 0.00 C ATOM 0 H ALA A 88 -31.083 41.461 21.479 1.00 0.00 H new ATOM 0 HA ALA A 88 -31.435 38.791 22.844 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -30.333 39.876 24.812 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -29.215 39.854 23.428 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -30.073 41.354 23.856 1.00 0.00 H new ATOM 1328 N ALA A 89 -33.500 39.634 23.888 1.00 0.00 N ATOM 1329 CA ALA A 89 -34.811 40.143 24.398 1.00 0.00 C ATOM 1330 C ALA A 89 -34.591 41.037 25.620 1.00 0.00 C ATOM 1331 O ALA A 89 -35.245 42.050 25.783 1.00 0.00 O ATOM 1332 CB ALA A 89 -35.606 38.894 24.786 1.00 0.00 C ATOM 0 H ALA A 89 -33.368 38.625 23.964 1.00 0.00 H new ATOM 0 HA ALA A 89 -35.335 40.742 23.653 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -36.582 39.189 25.170 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -35.737 38.260 23.909 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -35.065 38.343 25.555 1.00 0.00 H new ATOM 1338 N ASP A 90 -33.672 40.668 26.477 1.00 0.00 N ATOM 1339 CA ASP A 90 -33.401 41.494 27.694 1.00 0.00 C ATOM 1340 C ASP A 90 -32.746 42.817 27.294 1.00 0.00 C ATOM 1341 O ASP A 90 -31.902 42.861 26.419 1.00 0.00 O ATOM 1342 CB ASP A 90 -32.443 40.655 28.548 1.00 0.00 C ATOM 1343 CG ASP A 90 -33.222 39.572 29.309 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -34.429 39.707 29.441 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -32.593 38.623 29.749 1.00 0.00 O ATOM 0 H ASP A 90 -33.097 39.830 26.387 1.00 0.00 H new ATOM 0 HA ASP A 90 -34.314 41.740 28.237 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -31.688 40.192 27.912 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -31.915 41.297 29.253 1.00 0.00 H new ATOM 1350 N SER A 91 -33.128 43.892 27.932 1.00 0.00 N ATOM 1351 CA SER A 91 -32.533 45.219 27.597 1.00 0.00 C ATOM 1352 C SER A 91 -32.456 46.092 28.851 1.00 0.00 C ATOM 1353 O SER A 91 -33.339 46.066 29.688 1.00 0.00 O ATOM 1354 CB SER A 91 -33.486 45.832 26.573 1.00 0.00 C ATOM 1355 OG SER A 91 -32.962 47.076 26.128 1.00 0.00 O ATOM 0 H SER A 91 -33.829 43.908 28.673 1.00 0.00 H new ATOM 0 HA SER A 91 -31.519 45.133 27.207 1.00 0.00 H new ATOM 0 HB2 SER A 91 -33.614 45.155 25.728 1.00 0.00 H new ATOM 0 HB3 SER A 91 -34.471 45.977 27.017 1.00 0.00 H new ATOM 0 HG SER A 91 -33.571 47.471 25.469 1.00 0.00 H new ATOM 1361 N ILE A 92 -31.409 46.864 28.985 1.00 0.00 N ATOM 1362 CA ILE A 92 -31.271 47.744 30.182 1.00 0.00 C ATOM 1363 C ILE A 92 -31.184 49.207 29.748 1.00 0.00 C ATOM 1364 O ILE A 92 -30.395 49.564 28.892 1.00 0.00 O ATOM 1365 CB ILE A 92 -29.970 47.300 30.863 1.00 0.00 C ATOM 1366 CG1 ILE A 92 -30.065 45.815 31.253 1.00 0.00 C ATOM 1367 CG2 ILE A 92 -29.724 48.146 32.118 1.00 0.00 C ATOM 1368 CD1 ILE A 92 -31.243 45.585 32.211 1.00 0.00 C ATOM 0 H ILE A 92 -30.642 46.923 28.315 1.00 0.00 H new ATOM 0 HA ILE A 92 -32.124 47.662 30.856 1.00 0.00 H new ATOM 0 HB ILE A 92 -29.141 47.437 30.168 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -30.192 45.205 30.358 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -29.136 45.497 31.726 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -28.799 47.826 32.597 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -29.643 49.196 31.839 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -30.555 48.018 32.812 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -31.295 44.529 32.476 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -31.100 46.179 33.113 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -32.172 45.883 31.724 1.00 0.00 H new ATOM 1380 N ARG A 93 -31.989 50.051 30.333 1.00 0.00 N ATOM 1381 CA ARG A 93 -31.965 51.495 29.967 1.00 0.00 C ATOM 1382 C ARG A 93 -32.735 52.313 31.014 1.00 0.00 C ATOM 1383 O ARG A 93 -33.836 52.762 30.757 1.00 0.00 O ATOM 1384 CB ARG A 93 -32.649 51.570 28.604 1.00 0.00 C ATOM 1385 CG ARG A 93 -32.512 52.986 28.050 1.00 0.00 C ATOM 1386 CD ARG A 93 -33.260 53.085 26.721 1.00 0.00 C ATOM 1387 NE ARG A 93 -32.346 52.465 25.723 1.00 0.00 N ATOM 1388 CZ ARG A 93 -32.004 53.129 24.655 1.00 0.00 C ATOM 1389 NH1 ARG A 93 -32.921 53.575 23.843 1.00 0.00 N ATOM 1390 NH2 ARG A 93 -30.743 53.349 24.400 1.00 0.00 N ATOM 0 H ARG A 93 -32.666 49.800 31.053 1.00 0.00 H new ATOM 0 HA ARG A 93 -30.954 51.901 29.931 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -32.198 50.853 27.918 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -33.702 51.303 28.697 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -32.915 53.707 28.761 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -31.460 53.232 27.907 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -34.214 52.559 26.764 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -33.479 54.122 26.466 1.00 0.00 H new ATOM 0 HE ARG A 93 -31.988 51.522 25.875 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -33.906 53.404 24.043 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -32.653 54.095 23.007 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -30.026 53.001 25.036 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -30.475 53.869 23.564 1.00 0.00 H new ATOM 1404 N PRO A 94 -32.135 52.482 32.174 1.00 0.00 N ATOM 1405 CA PRO A 94 -32.795 53.254 33.254 1.00 0.00 C ATOM 1406 C PRO A 94 -32.803 54.752 32.919 1.00 0.00 C ATOM 1407 O PRO A 94 -31.996 55.208 32.134 1.00 0.00 O ATOM 1408 CB PRO A 94 -31.928 52.979 34.478 1.00 0.00 C ATOM 1409 CG PRO A 94 -30.584 52.626 33.931 1.00 0.00 C ATOM 1410 CD PRO A 94 -30.811 51.985 32.587 1.00 0.00 C ATOM 0 HA PRO A 94 -33.837 52.970 33.403 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -31.873 53.853 35.126 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -32.337 52.164 35.076 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -29.961 53.515 33.834 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -30.062 51.943 34.601 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -30.038 52.269 31.873 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -30.797 50.897 32.656 1.00 0.00 H new ATOM 1418 N PRO A 95 -33.718 55.476 33.525 1.00 0.00 N ATOM 1419 CA PRO A 95 -33.810 56.934 33.269 1.00 0.00 C ATOM 1420 C PRO A 95 -32.659 57.685 33.958 1.00 0.00 C ATOM 1421 O PRO A 95 -32.077 57.185 34.901 1.00 0.00 O ATOM 1422 CB PRO A 95 -35.149 57.326 33.885 1.00 0.00 C ATOM 1423 CG PRO A 95 -35.414 56.293 34.933 1.00 0.00 C ATOM 1424 CD PRO A 95 -34.738 55.024 34.487 1.00 0.00 C ATOM 0 HA PRO A 95 -33.740 57.180 32.209 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -35.106 58.325 34.319 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -35.940 57.338 33.135 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -35.026 56.617 35.899 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -36.486 56.136 35.056 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -34.287 54.497 35.327 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -35.446 54.337 34.023 1.00 0.00 H new ATOM 1432 N PRO A 96 -32.367 58.871 33.467 1.00 0.00 N ATOM 1433 CA PRO A 96 -31.277 59.686 34.062 1.00 0.00 C ATOM 1434 C PRO A 96 -31.673 60.175 35.458 1.00 0.00 C ATOM 1435 O PRO A 96 -30.828 60.489 36.275 1.00 0.00 O ATOM 1436 CB PRO A 96 -31.128 60.856 33.092 1.00 0.00 C ATOM 1437 CG PRO A 96 -32.454 60.962 32.412 1.00 0.00 C ATOM 1438 CD PRO A 96 -33.014 59.568 32.342 1.00 0.00 C ATOM 0 HA PRO A 96 -30.349 59.129 34.191 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -30.879 61.777 33.619 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -30.329 60.674 32.373 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -33.122 61.621 32.967 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -32.345 61.386 31.414 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -34.099 59.568 32.443 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -32.782 59.091 31.390 1.00 0.00 H new ATOM 1446 N TYR A 97 -32.956 60.250 35.738 1.00 0.00 N ATOM 1447 CA TYR A 97 -33.422 60.726 37.083 1.00 0.00 C ATOM 1448 C TYR A 97 -32.778 62.073 37.425 1.00 0.00 C ATOM 1449 O TYR A 97 -31.790 62.131 38.134 1.00 0.00 O ATOM 1450 CB TYR A 97 -32.971 59.649 38.071 1.00 0.00 C ATOM 1451 CG TYR A 97 -33.951 59.572 39.215 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -35.161 58.887 39.055 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -33.647 60.184 40.437 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -36.068 58.813 40.118 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -34.554 60.109 41.500 1.00 0.00 C ATOM 1456 CZ TYR A 97 -35.765 59.424 41.341 1.00 0.00 C ATOM 1457 OH TYR A 97 -36.658 59.349 42.388 1.00 0.00 O ATOM 0 H TYR A 97 -33.703 60.001 35.090 1.00 0.00 H new ATOM 0 HA TYR A 97 -34.501 60.875 37.111 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -32.906 58.684 37.568 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -31.974 59.880 38.447 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -35.395 58.416 38.112 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -32.714 60.713 40.559 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -37.002 58.285 39.995 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -34.320 60.580 42.443 1.00 0.00 H new ATOM 0 HH TYR A 97 -36.294 59.824 43.164 1.00 0.00 H new ATOM 1467 N SER A 98 -33.322 63.150 36.919 1.00 0.00 N ATOM 1468 CA SER A 98 -32.735 64.490 37.208 1.00 0.00 C ATOM 1469 C SER A 98 -33.821 65.575 37.204 1.00 0.00 C ATOM 1470 O SER A 98 -34.891 65.374 36.663 1.00 0.00 O ATOM 1471 CB SER A 98 -31.733 64.732 36.082 1.00 0.00 C ATOM 1472 OG SER A 98 -30.464 64.220 36.465 1.00 0.00 O ATOM 0 H SER A 98 -34.147 63.158 36.319 1.00 0.00 H new ATOM 0 HA SER A 98 -32.267 64.525 38.192 1.00 0.00 H new ATOM 0 HB2 SER A 98 -32.073 64.247 35.167 1.00 0.00 H new ATOM 0 HB3 SER A 98 -31.659 65.798 35.869 1.00 0.00 H new ATOM 0 HG SER A 98 -30.585 63.511 37.131 1.00 0.00 H new ATOM 1478 N PRO A 99 -33.511 66.701 37.812 1.00 0.00 N ATOM 1479 CA PRO A 99 -34.482 67.820 37.872 1.00 0.00 C ATOM 1480 C PRO A 99 -34.576 68.516 36.510 1.00 0.00 C ATOM 1481 O PRO A 99 -33.536 68.836 35.958 1.00 0.00 O ATOM 1482 CB PRO A 99 -33.890 68.757 38.919 1.00 0.00 C ATOM 1483 CG PRO A 99 -32.421 68.470 38.918 1.00 0.00 C ATOM 1484 CD PRO A 99 -32.248 67.036 38.495 1.00 0.00 C ATOM 1485 OXT PRO A 99 -35.685 68.717 36.043 1.00 0.00 O ATOM 0 HA PRO A 99 -35.493 67.497 38.122 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -34.087 69.800 38.671 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -34.326 68.575 39.901 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -31.899 69.139 38.234 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -31.996 68.633 39.909 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -31.393 66.918 37.829 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -32.076 66.386 39.353 1.00 0.00 H new TER 1493 PRO A 99 HETATM 1494 ZN ZN A 100 11.458 -2.089 -2.234 1.00 0.00 ZN HETATM 1495 ZN ZN A 101 0.783 1.071 -3.012 1.00 0.00 ZN