USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 39 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.23) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0394 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -41:sc= 0.465 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0378 USER MOD Single : A 14 CYS SG : rot 162:sc=-0.000241 USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= 1.27 (180deg=0.937) USER MOD Single : A 20 THR OG1 : rot -66:sc= 0.0993 USER MOD Single : A 28 SER OG : rot 79:sc= 1.24 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.689 K(o=-0.69,f=-2.3!) USER MOD Single : A 46 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.5!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl -174:sc= 0 (180deg=-0.0744) USER MOD Single : A 59 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 60 ASN : amide:sc= 0.278 K(o=0.28,f=-2.1!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.752 -43.400 15.182 1.00 10.00 N ATOM 2 CA MET A 1 -10.010 -42.256 15.774 1.00 10.00 C ATOM 3 C MET A 1 -8.996 -41.697 14.774 1.00 10.00 C ATOM 4 O MET A 1 -8.478 -42.434 13.934 1.00 10.00 O ATOM 5 CB MET A 1 -9.298 -42.626 17.093 1.00 10.00 C ATOM 6 CG MET A 1 -10.252 -43.048 18.220 1.00 10.00 C ATOM 7 SD MET A 1 -11.560 -41.849 18.609 1.00 10.00 S ATOM 8 CE MET A 1 -12.344 -42.702 20.006 1.00 10.00 C ATOM 0 H1 MET A 1 -11.756 -43.149 15.084 1.00 10.00 H new ATOM 0 H2 MET A 1 -10.358 -43.622 14.246 1.00 10.00 H new ATOM 0 H3 MET A 1 -10.662 -44.230 15.802 1.00 10.00 H new ATOM 0 HA MET A 1 -10.751 -41.492 16.008 1.00 10.00 H new ATOM 0 HB2 MET A 1 -8.598 -43.439 16.900 1.00 10.00 H new ATOM 0 HB3 MET A 1 -8.710 -41.772 17.429 1.00 10.00 H new ATOM 0 HG2 MET A 1 -10.718 -43.995 17.946 1.00 10.00 H new ATOM 0 HG3 MET A 1 -9.667 -43.230 19.122 1.00 10.00 H new ATOM 0 HE1 MET A 1 -13.177 -42.104 20.376 1.00 10.00 H new ATOM 0 HE2 MET A 1 -12.713 -43.674 19.678 1.00 10.00 H new ATOM 0 HE3 MET A 1 -11.614 -42.841 20.804 1.00 10.00 H new ATOM 20 N ASP A 2 -8.703 -40.397 14.856 1.00 10.00 N ATOM 21 CA ASP A 2 -7.756 -39.680 13.985 1.00 10.00 C ATOM 22 C ASP A 2 -7.083 -38.493 14.710 1.00 10.00 C ATOM 23 O ASP A 2 -7.481 -38.115 15.817 1.00 10.00 O ATOM 24 CB ASP A 2 -8.478 -39.206 12.709 1.00 10.00 C ATOM 25 CG ASP A 2 -9.494 -38.077 12.969 1.00 10.00 C ATOM 26 OD1 ASP A 2 -10.655 -38.374 13.340 1.00 10.00 O ATOM 27 OD2 ASP A 2 -9.139 -36.889 12.782 1.00 10.00 O ATOM 0 H ASP A 2 -9.132 -39.789 15.554 1.00 10.00 H new ATOM 0 HA ASP A 2 -6.961 -40.373 13.711 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -7.737 -38.860 11.988 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -8.994 -40.053 12.256 1.00 10.00 H new ATOM 32 N VAL A 3 -6.066 -37.897 14.078 1.00 10.00 N ATOM 33 CA VAL A 3 -5.301 -36.743 14.588 1.00 10.00 C ATOM 34 C VAL A 3 -4.805 -35.873 13.424 1.00 10.00 C ATOM 35 O VAL A 3 -4.512 -36.378 12.340 1.00 10.00 O ATOM 36 CB VAL A 3 -4.144 -37.229 15.495 1.00 10.00 C ATOM 37 CG1 VAL A 3 -3.119 -38.116 14.774 1.00 10.00 C ATOM 38 CG2 VAL A 3 -3.405 -36.071 16.177 1.00 10.00 C ATOM 0 H VAL A 3 -5.738 -38.212 13.165 1.00 10.00 H new ATOM 0 HA VAL A 3 -5.952 -36.118 15.199 1.00 10.00 H new ATOM 0 HB VAL A 3 -4.642 -37.837 16.251 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.340 -38.416 15.475 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -3.617 -39.003 14.383 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -2.671 -37.559 13.951 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.604 -36.468 16.801 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -2.982 -35.412 15.418 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.103 -35.509 16.797 1.00 10.00 H new ATOM 48 N GLU A 4 -4.695 -34.557 13.633 1.00 10.00 N ATOM 49 CA GLU A 4 -4.249 -33.564 12.637 1.00 10.00 C ATOM 50 C GLU A 4 -2.729 -33.546 12.344 1.00 10.00 C ATOM 51 O GLU A 4 -2.180 -32.563 11.837 1.00 10.00 O ATOM 52 CB GLU A 4 -4.794 -32.180 13.039 1.00 10.00 C ATOM 53 CG GLU A 4 -4.225 -31.632 14.357 1.00 10.00 C ATOM 54 CD GLU A 4 -4.777 -30.222 14.648 1.00 10.00 C ATOM 55 OE1 GLU A 4 -5.850 -30.105 15.290 1.00 10.00 O ATOM 56 OE2 GLU A 4 -4.142 -29.217 14.243 1.00 10.00 O ATOM 0 H GLU A 4 -4.922 -34.133 14.533 1.00 10.00 H new ATOM 0 HA GLU A 4 -4.668 -33.868 11.678 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -4.575 -31.471 12.240 1.00 10.00 H new ATOM 0 HB3 GLU A 4 -5.879 -32.241 13.123 1.00 10.00 H new ATOM 0 HG2 GLU A 4 -4.481 -32.304 15.176 1.00 10.00 H new ATOM 0 HG3 GLU A 4 -3.137 -31.597 14.302 1.00 10.00 H new ATOM 63 N PHE A 5 -2.048 -34.648 12.652 1.00 10.00 N ATOM 64 CA PHE A 5 -0.613 -34.858 12.426 1.00 10.00 C ATOM 65 C PHE A 5 -0.297 -35.135 10.937 1.00 10.00 C ATOM 66 O PHE A 5 -1.204 -35.294 10.113 1.00 10.00 O ATOM 67 CB PHE A 5 -0.134 -35.997 13.347 1.00 10.00 C ATOM 68 CG PHE A 5 1.362 -36.016 13.605 1.00 10.00 C ATOM 69 CD1 PHE A 5 1.957 -34.984 14.357 1.00 10.00 C ATOM 70 CD2 PHE A 5 2.164 -37.059 13.102 1.00 10.00 C ATOM 71 CE1 PHE A 5 3.344 -34.990 14.596 1.00 10.00 C ATOM 72 CE2 PHE A 5 3.549 -37.067 13.346 1.00 10.00 C ATOM 73 CZ PHE A 5 4.141 -36.031 14.089 1.00 10.00 C ATOM 0 H PHE A 5 -2.497 -35.455 13.084 1.00 10.00 H new ATOM 0 HA PHE A 5 -0.069 -33.947 12.674 1.00 10.00 H new ATOM 0 HB2 PHE A 5 -0.653 -35.916 14.302 1.00 10.00 H new ATOM 0 HB3 PHE A 5 -0.425 -36.950 12.905 1.00 10.00 H new ATOM 0 HD1 PHE A 5 1.347 -34.185 14.752 1.00 10.00 H new ATOM 0 HD2 PHE A 5 1.714 -37.855 12.527 1.00 10.00 H new ATOM 0 HE1 PHE A 5 3.796 -34.194 15.169 1.00 10.00 H new ATOM 0 HE2 PHE A 5 4.159 -37.871 12.962 1.00 10.00 H new ATOM 0 HZ PHE A 5 5.206 -36.035 14.270 1.00 10.00 H new ATOM 83 N LYS A 6 0.994 -35.222 10.586 1.00 10.00 N ATOM 84 CA LYS A 6 1.500 -35.480 9.226 1.00 10.00 C ATOM 85 C LYS A 6 2.484 -36.653 9.249 1.00 10.00 C ATOM 86 O LYS A 6 3.351 -36.721 10.120 1.00 10.00 O ATOM 87 CB LYS A 6 2.171 -34.211 8.661 1.00 10.00 C ATOM 88 CG LYS A 6 1.267 -32.966 8.586 1.00 10.00 C ATOM 89 CD LYS A 6 0.083 -33.122 7.619 1.00 10.00 C ATOM 90 CE LYS A 6 -0.783 -31.857 7.647 1.00 10.00 C ATOM 91 NZ LYS A 6 -1.951 -31.975 6.736 1.00 10.00 N ATOM 0 H LYS A 6 1.745 -35.111 11.267 1.00 10.00 H new ATOM 0 HA LYS A 6 0.665 -35.743 8.576 1.00 10.00 H new ATOM 0 HB2 LYS A 6 3.038 -33.973 9.277 1.00 10.00 H new ATOM 0 HB3 LYS A 6 2.542 -34.431 7.660 1.00 10.00 H new ATOM 0 HG2 LYS A 6 0.885 -32.745 9.582 1.00 10.00 H new ATOM 0 HG3 LYS A 6 1.867 -32.110 8.277 1.00 10.00 H new ATOM 0 HD2 LYS A 6 0.449 -33.301 6.608 1.00 10.00 H new ATOM 0 HD3 LYS A 6 -0.515 -33.989 7.899 1.00 10.00 H new ATOM 0 HE2 LYS A 6 -1.131 -31.676 8.664 1.00 10.00 H new ATOM 0 HE3 LYS A 6 -0.180 -30.996 7.358 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 -2.515 -31.102 6.780 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 -1.618 -32.124 5.762 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 -2.539 -32.782 7.028 1.00 10.00 H new ATOM 105 N CYS A 7 2.325 -37.577 8.302 1.00 10.00 N ATOM 106 CA CYS A 7 3.132 -38.793 8.188 1.00 10.00 C ATOM 107 C CYS A 7 4.648 -38.515 8.082 1.00 10.00 C ATOM 108 O CYS A 7 5.072 -37.537 7.456 1.00 10.00 O ATOM 109 CB CYS A 7 2.586 -39.618 7.017 1.00 10.00 C ATOM 110 SG CYS A 7 3.232 -41.310 7.116 1.00 10.00 S ATOM 0 H CYS A 7 1.614 -37.499 7.575 1.00 10.00 H new ATOM 0 HA CYS A 7 3.042 -39.369 9.109 1.00 10.00 H new ATOM 0 HB2 CYS A 7 1.496 -39.631 7.044 1.00 10.00 H new ATOM 0 HB3 CYS A 7 2.876 -39.162 6.070 1.00 10.00 H new ATOM 115 N THR A 8 5.459 -39.385 8.693 1.00 10.00 N ATOM 116 CA THR A 8 6.927 -39.291 8.748 1.00 10.00 C ATOM 117 C THR A 8 7.659 -40.507 8.163 1.00 10.00 C ATOM 118 O THR A 8 8.889 -40.472 8.044 1.00 10.00 O ATOM 119 CB THR A 8 7.407 -39.043 10.188 1.00 10.00 C ATOM 120 OG1 THR A 8 7.087 -40.112 11.055 1.00 10.00 O ATOM 121 CG2 THR A 8 6.858 -37.751 10.796 1.00 10.00 C ATOM 0 H THR A 8 5.101 -40.205 9.182 1.00 10.00 H new ATOM 0 HA THR A 8 7.182 -38.441 8.115 1.00 10.00 H new ATOM 0 HB THR A 8 8.490 -38.955 10.098 1.00 10.00 H new ATOM 0 HG1 THR A 8 6.182 -40.432 10.859 1.00 10.00 H new ATOM 0 HG21 THR A 8 7.236 -37.638 11.812 1.00 10.00 H new ATOM 0 HG22 THR A 8 7.177 -36.901 10.193 1.00 10.00 H new ATOM 0 HG23 THR A 8 5.769 -37.793 10.816 1.00 10.00 H new ATOM 129 N CYS A 9 6.933 -41.561 7.769 1.00 10.00 N ATOM 130 CA CYS A 9 7.461 -42.785 7.178 1.00 10.00 C ATOM 131 C CYS A 9 7.077 -42.896 5.684 1.00 10.00 C ATOM 132 O CYS A 9 7.607 -42.143 4.860 1.00 10.00 O ATOM 133 CB CYS A 9 7.060 -43.969 8.076 1.00 10.00 C ATOM 134 SG CYS A 9 5.261 -44.129 8.280 1.00 10.00 S ATOM 0 H CYS A 9 5.917 -41.579 7.860 1.00 10.00 H new ATOM 0 HA CYS A 9 8.551 -42.783 7.150 1.00 10.00 H new ATOM 0 HB2 CYS A 9 7.455 -44.891 7.650 1.00 10.00 H new ATOM 0 HB3 CYS A 9 7.522 -43.847 9.056 1.00 10.00 H new ATOM 139 N SER A 10 6.181 -43.817 5.322 1.00 10.00 N ATOM 140 CA SER A 10 5.720 -44.063 3.949 1.00 10.00 C ATOM 141 C SER A 10 4.427 -44.889 3.908 1.00 10.00 C ATOM 142 O SER A 10 4.106 -45.620 4.851 1.00 10.00 O ATOM 143 CB SER A 10 6.825 -44.828 3.195 1.00 10.00 C ATOM 144 OG SER A 10 6.462 -45.092 1.849 1.00 10.00 O ATOM 0 H SER A 10 5.739 -44.436 6.001 1.00 10.00 H new ATOM 0 HA SER A 10 5.511 -43.100 3.484 1.00 10.00 H new ATOM 0 HB2 SER A 10 7.747 -44.247 3.215 1.00 10.00 H new ATOM 0 HB3 SER A 10 7.030 -45.768 3.707 1.00 10.00 H new ATOM 0 HG SER A 10 7.188 -45.577 1.403 1.00 10.00 H new ATOM 150 N ARG A 11 3.740 -44.862 2.755 1.00 10.00 N ATOM 151 CA ARG A 11 2.563 -45.694 2.432 1.00 10.00 C ATOM 152 C ARG A 11 2.874 -47.179 2.607 1.00 10.00 C ATOM 153 O ARG A 11 2.009 -47.966 2.976 1.00 10.00 O ATOM 154 CB ARG A 11 2.163 -45.405 0.978 1.00 10.00 C ATOM 155 CG ARG A 11 0.852 -46.088 0.553 1.00 10.00 C ATOM 156 CD ARG A 11 0.408 -45.590 -0.829 1.00 10.00 C ATOM 157 NE ARG A 11 -0.817 -46.272 -1.291 1.00 10.00 N ATOM 158 CZ ARG A 11 -0.895 -47.384 -2.001 1.00 10.00 C ATOM 159 NH1 ARG A 11 0.133 -48.084 -2.380 1.00 10.00 N ATOM 160 NH2 ARG A 11 -2.039 -47.861 -2.369 1.00 10.00 N ATOM 0 H ARG A 11 3.997 -44.237 1.991 1.00 10.00 H new ATOM 0 HA ARG A 11 1.745 -45.450 3.110 1.00 10.00 H new ATOM 0 HB2 ARG A 11 2.062 -44.328 0.845 1.00 10.00 H new ATOM 0 HB3 ARG A 11 2.965 -45.734 0.317 1.00 10.00 H new ATOM 0 HG2 ARG A 11 0.990 -47.169 0.529 1.00 10.00 H new ATOM 0 HG3 ARG A 11 0.073 -45.882 1.287 1.00 10.00 H new ATOM 0 HD2 ARG A 11 0.232 -44.515 -0.789 1.00 10.00 H new ATOM 0 HD3 ARG A 11 1.209 -45.755 -1.549 1.00 10.00 H new ATOM 0 HE ARG A 11 -1.702 -45.836 -1.033 1.00 10.00 H new ATOM 0 HH11 ARG A 11 1.075 -47.783 -2.130 1.00 10.00 H new ATOM 0 HH12 ARG A 11 -0.003 -48.934 -2.927 1.00 10.00 H new ATOM 0 HH21 ARG A 11 -2.900 -47.378 -2.112 1.00 10.00 H new ATOM 0 HH22 ARG A 11 -2.081 -48.720 -2.917 1.00 10.00 H new ATOM 174 N GLU A 12 4.135 -47.538 2.381 1.00 10.00 N ATOM 175 CA GLU A 12 4.675 -48.893 2.538 1.00 10.00 C ATOM 176 C GLU A 12 4.470 -49.446 3.961 1.00 10.00 C ATOM 177 O GLU A 12 4.157 -50.626 4.116 1.00 10.00 O ATOM 178 CB GLU A 12 6.169 -48.861 2.180 1.00 10.00 C ATOM 179 CG GLU A 12 6.787 -50.261 2.063 1.00 10.00 C ATOM 180 CD GLU A 12 8.261 -50.177 1.621 1.00 10.00 C ATOM 181 OE1 GLU A 12 9.147 -49.958 2.482 1.00 10.00 O ATOM 182 OE2 GLU A 12 8.547 -50.336 0.408 1.00 10.00 O ATOM 0 H GLU A 12 4.840 -46.869 2.071 1.00 10.00 H new ATOM 0 HA GLU A 12 4.135 -49.564 1.869 1.00 10.00 H new ATOM 0 HB2 GLU A 12 6.300 -48.332 1.236 1.00 10.00 H new ATOM 0 HB3 GLU A 12 6.707 -48.294 2.940 1.00 10.00 H new ATOM 0 HG2 GLU A 12 6.720 -50.774 3.022 1.00 10.00 H new ATOM 0 HG3 GLU A 12 6.221 -50.854 1.344 1.00 10.00 H new ATOM 189 N ARG A 13 4.568 -48.610 5.008 1.00 10.00 N ATOM 190 CA ARG A 13 4.297 -49.044 6.394 1.00 10.00 C ATOM 191 C ARG A 13 2.808 -49.331 6.612 1.00 10.00 C ATOM 192 O ARG A 13 2.455 -50.313 7.264 1.00 10.00 O ATOM 193 CB ARG A 13 4.808 -48.022 7.419 1.00 10.00 C ATOM 194 CG ARG A 13 6.340 -47.888 7.412 1.00 10.00 C ATOM 195 CD ARG A 13 6.849 -47.484 8.802 1.00 10.00 C ATOM 196 NE ARG A 13 8.308 -47.270 8.818 1.00 10.00 N ATOM 197 CZ ARG A 13 9.022 -46.878 9.858 1.00 10.00 C ATOM 198 NH1 ARG A 13 8.478 -46.640 11.018 1.00 10.00 N ATOM 199 NH2 ARG A 13 10.310 -46.720 9.755 1.00 10.00 N ATOM 0 H ARG A 13 4.833 -47.629 4.924 1.00 10.00 H new ATOM 0 HA ARG A 13 4.845 -49.973 6.548 1.00 10.00 H new ATOM 0 HB2 ARG A 13 4.362 -47.050 7.210 1.00 10.00 H new ATOM 0 HB3 ARG A 13 4.478 -48.317 8.415 1.00 10.00 H new ATOM 0 HG2 ARG A 13 6.793 -48.833 7.113 1.00 10.00 H new ATOM 0 HG3 ARG A 13 6.643 -47.143 6.676 1.00 10.00 H new ATOM 0 HD2 ARG A 13 6.346 -46.571 9.121 1.00 10.00 H new ATOM 0 HD3 ARG A 13 6.589 -48.260 9.522 1.00 10.00 H new ATOM 0 HE ARG A 13 8.811 -47.440 7.947 1.00 10.00 H new ATOM 0 HH11 ARG A 13 7.472 -46.755 11.143 1.00 10.00 H new ATOM 0 HH12 ARG A 13 9.058 -46.339 11.801 1.00 10.00 H new ATOM 0 HH21 ARG A 13 10.776 -46.899 8.866 1.00 10.00 H new ATOM 0 HH22 ARG A 13 10.853 -46.417 10.564 1.00 10.00 H new ATOM 213 N CYS A 14 1.931 -48.522 6.017 1.00 10.00 N ATOM 214 CA CYS A 14 0.483 -48.751 6.040 1.00 10.00 C ATOM 215 C CYS A 14 0.125 -50.042 5.271 1.00 10.00 C ATOM 216 O CYS A 14 -0.686 -50.846 5.731 1.00 10.00 O ATOM 217 CB CYS A 14 -0.210 -47.513 5.464 1.00 10.00 C ATOM 218 SG CYS A 14 -1.972 -47.582 5.882 1.00 10.00 S ATOM 0 H CYS A 14 2.205 -47.685 5.503 1.00 10.00 H new ATOM 0 HA CYS A 14 0.135 -48.899 7.062 1.00 10.00 H new ATOM 0 HB2 CYS A 14 0.239 -46.606 5.870 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -0.080 -47.477 4.382 1.00 10.00 H new ATOM 0 HG CYS A 14 -2.498 -46.401 5.743 1.00 10.00 H new ATOM 224 N ALA A 15 0.785 -50.282 4.131 1.00 10.00 N ATOM 225 CA ALA A 15 0.642 -51.503 3.333 1.00 10.00 C ATOM 226 C ALA A 15 1.080 -52.746 4.135 1.00 10.00 C ATOM 227 O ALA A 15 0.399 -53.773 4.133 1.00 10.00 O ATOM 228 CB ALA A 15 1.477 -51.363 2.053 1.00 10.00 C ATOM 0 H ALA A 15 1.447 -49.618 3.730 1.00 10.00 H new ATOM 0 HA ALA A 15 -0.408 -51.638 3.072 1.00 10.00 H new ATOM 0 HB1 ALA A 15 1.377 -52.267 1.453 1.00 10.00 H new ATOM 0 HB2 ALA A 15 1.124 -50.506 1.480 1.00 10.00 H new ATOM 0 HB3 ALA A 15 2.525 -51.216 2.316 1.00 10.00 H new ATOM 234 N ASP A 16 2.199 -52.644 4.861 1.00 10.00 N ATOM 235 CA ASP A 16 2.716 -53.699 5.737 1.00 10.00 C ATOM 236 C ASP A 16 1.696 -54.045 6.840 1.00 10.00 C ATOM 237 O ASP A 16 1.428 -55.220 7.095 1.00 10.00 O ATOM 238 CB ASP A 16 4.067 -53.254 6.318 1.00 10.00 C ATOM 239 CG ASP A 16 4.778 -54.385 7.070 1.00 10.00 C ATOM 240 OD1 ASP A 16 5.495 -55.175 6.412 1.00 10.00 O ATOM 241 OD2 ASP A 16 4.629 -54.487 8.310 1.00 10.00 O ATOM 0 H ASP A 16 2.782 -51.807 4.855 1.00 10.00 H new ATOM 0 HA ASP A 16 2.873 -54.611 5.161 1.00 10.00 H new ATOM 0 HB2 ASP A 16 4.708 -52.898 5.511 1.00 10.00 H new ATOM 0 HB3 ASP A 16 3.910 -52.414 6.994 1.00 10.00 H new ATOM 246 N ALA A 17 1.075 -53.023 7.442 1.00 10.00 N ATOM 247 CA ALA A 17 0.023 -53.166 8.447 1.00 10.00 C ATOM 248 C ALA A 17 -1.282 -53.769 7.880 1.00 10.00 C ATOM 249 O ALA A 17 -1.977 -54.497 8.589 1.00 10.00 O ATOM 250 CB ALA A 17 -0.230 -51.799 9.098 1.00 10.00 C ATOM 0 H ALA A 17 1.299 -52.049 7.236 1.00 10.00 H new ATOM 0 HA ALA A 17 0.368 -53.878 9.197 1.00 10.00 H new ATOM 0 HB1 ALA A 17 -1.013 -51.893 9.850 1.00 10.00 H new ATOM 0 HB2 ALA A 17 0.686 -51.446 9.571 1.00 10.00 H new ATOM 0 HB3 ALA A 17 -0.543 -51.085 8.336 1.00 10.00 H new ATOM 256 N LEU A 18 -1.641 -53.488 6.620 1.00 10.00 N ATOM 257 CA LEU A 18 -2.830 -54.001 5.964 1.00 10.00 C ATOM 258 C LEU A 18 -2.712 -55.511 5.670 1.00 10.00 C ATOM 259 O LEU A 18 -3.700 -56.237 5.792 1.00 10.00 O ATOM 260 CB LEU A 18 -3.004 -53.149 4.689 1.00 10.00 C ATOM 261 CG LEU A 18 -4.070 -53.662 3.725 1.00 10.00 C ATOM 262 CD1 LEU A 18 -5.469 -53.723 4.340 1.00 10.00 C ATOM 263 CD2 LEU A 18 -4.153 -52.780 2.483 1.00 10.00 C ATOM 0 H LEU A 18 -1.088 -52.877 6.019 1.00 10.00 H new ATOM 0 HA LEU A 18 -3.711 -53.919 6.600 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -3.256 -52.129 4.980 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -2.050 -53.104 4.165 1.00 10.00 H new ATOM 0 HG LEU A 18 -3.757 -54.675 3.471 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -6.176 -54.096 3.599 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -5.459 -54.391 5.201 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -5.770 -52.725 4.659 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -4.920 -53.167 1.812 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -4.408 -51.762 2.776 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -3.190 -52.780 1.972 1.00 10.00 H new ATOM 275 N LYS A 19 -1.521 -56.006 5.291 1.00 10.00 N ATOM 276 CA LYS A 19 -1.285 -57.407 4.936 1.00 10.00 C ATOM 277 C LYS A 19 -1.676 -58.411 6.034 1.00 10.00 C ATOM 278 O LYS A 19 -2.057 -59.535 5.702 1.00 10.00 O ATOM 279 CB LYS A 19 0.181 -57.551 4.450 1.00 10.00 C ATOM 280 CG LYS A 19 1.094 -58.333 5.409 1.00 10.00 C ATOM 281 CD LYS A 19 2.534 -58.545 4.927 1.00 10.00 C ATOM 282 CE LYS A 19 3.345 -57.257 5.079 1.00 10.00 C ATOM 283 NZ LYS A 19 4.801 -57.520 5.154 1.00 10.00 N ATOM 0 H LYS A 19 -0.683 -55.429 5.223 1.00 10.00 H new ATOM 0 HA LYS A 19 -1.957 -57.675 4.121 1.00 10.00 H new ATOM 0 HB2 LYS A 19 0.182 -58.048 3.480 1.00 10.00 H new ATOM 0 HB3 LYS A 19 0.600 -56.556 4.299 1.00 10.00 H new ATOM 0 HG2 LYS A 19 1.123 -57.808 6.364 1.00 10.00 H new ATOM 0 HG3 LYS A 19 0.645 -59.309 5.595 1.00 10.00 H new ATOM 0 HD2 LYS A 19 3.001 -59.346 5.500 1.00 10.00 H new ATOM 0 HD3 LYS A 19 2.532 -58.859 3.883 1.00 10.00 H new ATOM 0 HE2 LYS A 19 3.139 -56.598 4.235 1.00 10.00 H new ATOM 0 HE3 LYS A 19 3.025 -56.732 5.979 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 5.277 -56.711 5.601 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 4.970 -58.376 5.719 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 5.179 -57.658 4.195 1.00 10.00 H new ATOM 297 N THR A 20 -1.564 -58.039 7.312 1.00 10.00 N ATOM 298 CA THR A 20 -1.842 -58.933 8.453 1.00 10.00 C ATOM 299 C THR A 20 -3.329 -59.221 8.692 1.00 10.00 C ATOM 300 O THR A 20 -3.647 -60.163 9.424 1.00 10.00 O ATOM 301 CB THR A 20 -1.211 -58.415 9.756 1.00 10.00 C ATOM 302 OG1 THR A 20 -1.781 -57.180 10.122 1.00 10.00 O ATOM 303 CG2 THR A 20 0.302 -58.219 9.634 1.00 10.00 C ATOM 0 H THR A 20 -1.276 -57.102 7.592 1.00 10.00 H new ATOM 0 HA THR A 20 -1.378 -59.876 8.165 1.00 10.00 H new ATOM 0 HB THR A 20 -1.408 -59.173 10.514 1.00 10.00 H new ATOM 0 HG1 THR A 20 -1.541 -56.500 9.459 1.00 10.00 H new ATOM 0 HG21 THR A 20 0.699 -57.852 10.581 1.00 10.00 H new ATOM 0 HG22 THR A 20 0.773 -59.170 9.387 1.00 10.00 H new ATOM 0 HG23 THR A 20 0.513 -57.495 8.847 1.00 10.00 H new ATOM 311 N LEU A 21 -4.253 -58.464 8.081 1.00 10.00 N ATOM 312 CA LEU A 21 -5.692 -58.707 8.206 1.00 10.00 C ATOM 313 C LEU A 21 -6.087 -60.058 7.558 1.00 10.00 C ATOM 314 O LEU A 21 -5.464 -60.453 6.562 1.00 10.00 O ATOM 315 CB LEU A 21 -6.472 -57.547 7.562 1.00 10.00 C ATOM 316 CG LEU A 21 -6.272 -56.156 8.197 1.00 10.00 C ATOM 317 CD1 LEU A 21 -7.243 -55.166 7.549 1.00 10.00 C ATOM 318 CD2 LEU A 21 -6.529 -56.133 9.706 1.00 10.00 C ATOM 0 H LEU A 21 -4.020 -57.668 7.488 1.00 10.00 H new ATOM 0 HA LEU A 21 -5.945 -58.762 9.265 1.00 10.00 H new ATOM 0 HB2 LEU A 21 -6.191 -57.487 6.511 1.00 10.00 H new ATOM 0 HB3 LEU A 21 -7.534 -57.789 7.595 1.00 10.00 H new ATOM 0 HG LEU A 21 -5.229 -55.887 8.029 1.00 10.00 H new ATOM 0 HD11 LEU A 21 -7.107 -54.180 7.993 1.00 10.00 H new ATOM 0 HD12 LEU A 21 -7.047 -55.112 6.478 1.00 10.00 H new ATOM 0 HD13 LEU A 21 -8.267 -55.500 7.714 1.00 10.00 H new ATOM 0 HD21 LEU A 21 -6.370 -55.124 10.087 1.00 10.00 H new ATOM 0 HD22 LEU A 21 -7.556 -56.438 9.905 1.00 10.00 H new ATOM 0 HD23 LEU A 21 -5.844 -56.820 10.202 1.00 10.00 H new ATOM 330 N PRO A 22 -7.103 -60.777 8.086 1.00 10.00 N ATOM 331 CA PRO A 22 -7.551 -62.057 7.531 1.00 10.00 C ATOM 332 C PRO A 22 -7.957 -61.961 6.054 1.00 10.00 C ATOM 333 O PRO A 22 -8.624 -61.009 5.645 1.00 10.00 O ATOM 334 CB PRO A 22 -8.746 -62.498 8.388 1.00 10.00 C ATOM 335 CG PRO A 22 -8.568 -61.733 9.696 1.00 10.00 C ATOM 336 CD PRO A 22 -7.904 -60.432 9.254 1.00 10.00 C ATOM 0 HA PRO A 22 -6.733 -62.777 7.559 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -9.693 -62.252 7.908 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -8.742 -63.575 8.553 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -9.523 -61.550 10.188 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -7.946 -62.283 10.402 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -8.649 -59.675 9.008 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -7.281 -60.020 10.048 1.00 10.00 H new ATOM 344 N ASP A 23 -7.595 -62.964 5.252 1.00 10.00 N ATOM 345 CA ASP A 23 -7.929 -63.019 3.821 1.00 10.00 C ATOM 346 C ASP A 23 -9.443 -62.953 3.563 1.00 10.00 C ATOM 347 O ASP A 23 -9.875 -62.293 2.620 1.00 10.00 O ATOM 348 CB ASP A 23 -7.335 -64.286 3.192 1.00 10.00 C ATOM 349 CG ASP A 23 -5.823 -64.145 2.990 1.00 10.00 C ATOM 350 OD1 ASP A 23 -5.067 -64.159 3.989 1.00 10.00 O ATOM 351 OD2 ASP A 23 -5.375 -63.957 1.837 1.00 10.00 O ATOM 0 H ASP A 23 -7.058 -63.768 5.576 1.00 10.00 H new ATOM 0 HA ASP A 23 -7.491 -62.137 3.353 1.00 10.00 H new ATOM 0 HB2 ASP A 23 -7.541 -65.144 3.832 1.00 10.00 H new ATOM 0 HB3 ASP A 23 -7.817 -64.480 2.234 1.00 10.00 H new ATOM 356 N GLU A 24 -10.256 -63.591 4.412 1.00 10.00 N ATOM 357 CA GLU A 24 -11.721 -63.562 4.300 1.00 10.00 C ATOM 358 C GLU A 24 -12.291 -62.156 4.557 1.00 10.00 C ATOM 359 O GLU A 24 -13.219 -61.729 3.871 1.00 10.00 O ATOM 360 CB GLU A 24 -12.351 -64.561 5.287 1.00 10.00 C ATOM 361 CG GLU A 24 -11.950 -66.026 5.051 1.00 10.00 C ATOM 362 CD GLU A 24 -12.376 -66.539 3.661 1.00 10.00 C ATOM 363 OE1 GLU A 24 -13.594 -66.738 3.429 1.00 10.00 O ATOM 364 OE2 GLU A 24 -11.497 -66.767 2.794 1.00 10.00 O ATOM 0 H GLU A 24 -9.917 -64.144 5.199 1.00 10.00 H new ATOM 0 HA GLU A 24 -11.972 -63.845 3.278 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -12.068 -64.279 6.301 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -13.436 -64.480 5.224 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -10.870 -66.125 5.156 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -12.403 -66.652 5.820 1.00 10.00 H new ATOM 371 N GLU A 25 -11.722 -61.408 5.509 1.00 10.00 N ATOM 372 CA GLU A 25 -12.126 -60.034 5.825 1.00 10.00 C ATOM 373 C GLU A 25 -11.745 -59.083 4.677 1.00 10.00 C ATOM 374 O GLU A 25 -12.573 -58.303 4.205 1.00 10.00 O ATOM 375 CB GLU A 25 -11.445 -59.618 7.142 1.00 10.00 C ATOM 376 CG GLU A 25 -11.955 -58.298 7.727 1.00 10.00 C ATOM 377 CD GLU A 25 -13.369 -58.441 8.327 1.00 10.00 C ATOM 378 OE1 GLU A 25 -13.490 -58.821 9.518 1.00 10.00 O ATOM 379 OE2 GLU A 25 -14.368 -58.170 7.620 1.00 10.00 O ATOM 0 H GLU A 25 -10.955 -61.746 6.091 1.00 10.00 H new ATOM 0 HA GLU A 25 -13.208 -59.979 5.944 1.00 10.00 H new ATOM 0 HB2 GLU A 25 -11.591 -60.408 7.878 1.00 10.00 H new ATOM 0 HB3 GLU A 25 -10.372 -59.536 6.972 1.00 10.00 H new ATOM 0 HG2 GLU A 25 -11.267 -57.953 8.499 1.00 10.00 H new ATOM 0 HG3 GLU A 25 -11.967 -57.536 6.947 1.00 10.00 H new ATOM 386 N VAL A 26 -10.503 -59.186 4.188 1.00 10.00 N ATOM 387 CA VAL A 26 -9.986 -58.396 3.059 1.00 10.00 C ATOM 388 C VAL A 26 -10.814 -58.654 1.794 1.00 10.00 C ATOM 389 O VAL A 26 -11.278 -57.708 1.158 1.00 10.00 O ATOM 390 CB VAL A 26 -8.491 -58.722 2.847 1.00 10.00 C ATOM 391 CG1 VAL A 26 -7.908 -58.179 1.538 1.00 10.00 C ATOM 392 CG2 VAL A 26 -7.657 -58.135 3.995 1.00 10.00 C ATOM 0 H VAL A 26 -9.814 -59.833 4.572 1.00 10.00 H new ATOM 0 HA VAL A 26 -10.075 -57.333 3.285 1.00 10.00 H new ATOM 0 HB VAL A 26 -8.440 -59.810 2.812 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -6.855 -58.452 1.468 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -8.450 -58.605 0.694 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -8.003 -57.093 1.520 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -6.604 -58.370 3.837 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -7.787 -57.053 4.023 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -7.987 -58.565 4.941 1.00 10.00 H new ATOM 402 N ASP A 27 -11.059 -59.922 1.449 1.00 10.00 N ATOM 403 CA ASP A 27 -11.871 -60.299 0.287 1.00 10.00 C ATOM 404 C ASP A 27 -13.327 -59.815 0.410 1.00 10.00 C ATOM 405 O ASP A 27 -13.899 -59.362 -0.582 1.00 10.00 O ATOM 406 CB ASP A 27 -11.809 -61.818 0.086 1.00 10.00 C ATOM 407 CG ASP A 27 -12.547 -62.259 -1.189 1.00 10.00 C ATOM 408 OD1 ASP A 27 -12.043 -61.985 -2.305 1.00 10.00 O ATOM 409 OD2 ASP A 27 -13.616 -62.907 -1.081 1.00 10.00 O ATOM 0 H ASP A 27 -10.698 -60.720 1.971 1.00 10.00 H new ATOM 0 HA ASP A 27 -11.455 -59.803 -0.590 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -10.767 -62.134 0.030 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -12.248 -62.317 0.950 1.00 10.00 H new ATOM 414 N SER A 28 -13.919 -59.852 1.611 1.00 10.00 N ATOM 415 CA SER A 28 -15.291 -59.369 1.845 1.00 10.00 C ATOM 416 C SER A 28 -15.440 -57.878 1.519 1.00 10.00 C ATOM 417 O SER A 28 -16.403 -57.490 0.855 1.00 10.00 O ATOM 418 CB SER A 28 -15.739 -59.612 3.292 1.00 10.00 C ATOM 419 OG SER A 28 -15.833 -60.998 3.571 1.00 10.00 O ATOM 0 H SER A 28 -13.463 -60.216 2.448 1.00 10.00 H new ATOM 0 HA SER A 28 -15.929 -59.941 1.172 1.00 10.00 H new ATOM 0 HB2 SER A 28 -15.031 -59.147 3.978 1.00 10.00 H new ATOM 0 HB3 SER A 28 -16.706 -59.137 3.461 1.00 10.00 H new ATOM 0 HG SER A 28 -14.938 -61.358 3.744 1.00 10.00 H new ATOM 425 N ILE A 29 -14.488 -57.035 1.943 1.00 10.00 N ATOM 426 CA ILE A 29 -14.504 -55.594 1.653 1.00 10.00 C ATOM 427 C ILE A 29 -14.307 -55.353 0.146 1.00 10.00 C ATOM 428 O ILE A 29 -15.060 -54.592 -0.468 1.00 10.00 O ATOM 429 CB ILE A 29 -13.456 -54.839 2.506 1.00 10.00 C ATOM 430 CG1 ILE A 29 -13.681 -55.065 4.022 1.00 10.00 C ATOM 431 CG2 ILE A 29 -13.539 -53.328 2.209 1.00 10.00 C ATOM 432 CD1 ILE A 29 -12.484 -54.662 4.894 1.00 10.00 C ATOM 0 H ILE A 29 -13.685 -57.333 2.497 1.00 10.00 H new ATOM 0 HA ILE A 29 -15.479 -55.193 1.929 1.00 10.00 H new ATOM 0 HB ILE A 29 -12.472 -55.228 2.242 1.00 10.00 H new ATOM 0 HG12 ILE A 29 -14.556 -54.497 4.338 1.00 10.00 H new ATOM 0 HG13 ILE A 29 -13.905 -56.118 4.193 1.00 10.00 H new ATOM 0 HG21 ILE A 29 -12.800 -52.798 2.810 1.00 10.00 H new ATOM 0 HG22 ILE A 29 -13.339 -53.153 1.152 1.00 10.00 H new ATOM 0 HG23 ILE A 29 -14.536 -52.963 2.455 1.00 10.00 H new ATOM 0 HD11 ILE A 29 -12.718 -54.850 5.942 1.00 10.00 H new ATOM 0 HD12 ILE A 29 -11.611 -55.248 4.606 1.00 10.00 H new ATOM 0 HD13 ILE A 29 -12.272 -53.602 4.754 1.00 10.00 H new ATOM 444 N LEU A 30 -13.340 -56.034 -0.485 1.00 10.00 N ATOM 445 CA LEU A 30 -13.096 -55.918 -1.930 1.00 10.00 C ATOM 446 C LEU A 30 -14.311 -56.352 -2.768 1.00 10.00 C ATOM 447 O LEU A 30 -14.610 -55.709 -3.775 1.00 10.00 O ATOM 448 CB LEU A 30 -11.835 -56.706 -2.326 1.00 10.00 C ATOM 449 CG LEU A 30 -10.520 -56.138 -1.759 1.00 10.00 C ATOM 450 CD1 LEU A 30 -9.350 -57.010 -2.214 1.00 10.00 C ATOM 451 CD2 LEU A 30 -10.264 -54.698 -2.200 1.00 10.00 C ATOM 0 H LEU A 30 -12.707 -56.678 -0.011 1.00 10.00 H new ATOM 0 HA LEU A 30 -12.931 -54.863 -2.149 1.00 10.00 H new ATOM 0 HB2 LEU A 30 -11.946 -57.737 -1.989 1.00 10.00 H new ATOM 0 HB3 LEU A 30 -11.765 -56.732 -3.413 1.00 10.00 H new ATOM 0 HG LEU A 30 -10.610 -56.142 -0.673 1.00 10.00 H new ATOM 0 HD11 LEU A 30 -8.419 -56.608 -1.813 1.00 10.00 H new ATOM 0 HD12 LEU A 30 -9.492 -58.028 -1.851 1.00 10.00 H new ATOM 0 HD13 LEU A 30 -9.303 -57.016 -3.303 1.00 10.00 H new ATOM 0 HD21 LEU A 30 -9.325 -54.348 -1.772 1.00 10.00 H new ATOM 0 HD22 LEU A 30 -10.205 -54.656 -3.288 1.00 10.00 H new ATOM 0 HD23 LEU A 30 -11.079 -54.062 -1.856 1.00 10.00 H new ATOM 463 N ALA A 31 -15.044 -57.385 -2.344 1.00 10.00 N ATOM 464 CA ALA A 31 -16.259 -57.870 -3.004 1.00 10.00 C ATOM 465 C ALA A 31 -17.448 -56.880 -2.956 1.00 10.00 C ATOM 466 O ALA A 31 -18.452 -57.104 -3.638 1.00 10.00 O ATOM 467 CB ALA A 31 -16.642 -59.220 -2.383 1.00 10.00 C ATOM 0 H ALA A 31 -14.802 -57.921 -1.510 1.00 10.00 H new ATOM 0 HA ALA A 31 -16.033 -57.979 -4.065 1.00 10.00 H new ATOM 0 HB1 ALA A 31 -17.545 -59.598 -2.862 1.00 10.00 H new ATOM 0 HB2 ALA A 31 -15.829 -59.931 -2.529 1.00 10.00 H new ATOM 0 HB3 ALA A 31 -16.824 -59.091 -1.316 1.00 10.00 H new ATOM 473 N GLU A 32 -17.360 -55.794 -2.175 1.00 10.00 N ATOM 474 CA GLU A 32 -18.422 -54.783 -2.026 1.00 10.00 C ATOM 475 C GLU A 32 -17.992 -53.348 -2.395 1.00 10.00 C ATOM 476 O GLU A 32 -18.862 -52.513 -2.651 1.00 10.00 O ATOM 477 CB GLU A 32 -18.982 -54.819 -0.592 1.00 10.00 C ATOM 478 CG GLU A 32 -19.708 -56.133 -0.269 1.00 10.00 C ATOM 479 CD GLU A 32 -20.441 -56.040 1.084 1.00 10.00 C ATOM 480 OE1 GLU A 32 -21.616 -55.595 1.111 1.00 10.00 O ATOM 481 OE2 GLU A 32 -19.861 -56.416 2.133 1.00 10.00 O ATOM 0 H GLU A 32 -16.532 -55.588 -1.616 1.00 10.00 H new ATOM 0 HA GLU A 32 -19.196 -55.052 -2.745 1.00 10.00 H new ATOM 0 HB2 GLU A 32 -18.165 -54.677 0.116 1.00 10.00 H new ATOM 0 HB3 GLU A 32 -19.671 -53.985 -0.455 1.00 10.00 H new ATOM 0 HG2 GLU A 32 -20.423 -56.361 -1.059 1.00 10.00 H new ATOM 0 HG3 GLU A 32 -18.990 -56.953 -0.242 1.00 10.00 H new ATOM 488 N ASP A 33 -16.687 -53.038 -2.442 1.00 10.00 N ATOM 489 CA ASP A 33 -16.182 -51.688 -2.767 1.00 10.00 C ATOM 490 C ASP A 33 -14.933 -51.638 -3.676 1.00 10.00 C ATOM 491 O ASP A 33 -14.596 -50.570 -4.187 1.00 10.00 O ATOM 492 CB ASP A 33 -15.915 -50.935 -1.450 1.00 10.00 C ATOM 493 CG ASP A 33 -15.915 -49.403 -1.624 1.00 10.00 C ATOM 494 OD1 ASP A 33 -16.899 -48.849 -2.174 1.00 10.00 O ATOM 495 OD2 ASP A 33 -14.964 -48.734 -1.153 1.00 10.00 O ATOM 0 H ASP A 33 -15.948 -53.716 -2.256 1.00 10.00 H new ATOM 0 HA ASP A 33 -16.961 -51.210 -3.360 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -16.674 -51.212 -0.718 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -14.953 -51.250 -1.046 1.00 10.00 H new ATOM 500 N GLY A 34 -14.246 -52.765 -3.914 1.00 10.00 N ATOM 501 CA GLY A 34 -13.054 -52.849 -4.777 1.00 10.00 C ATOM 502 C GLY A 34 -11.768 -52.220 -4.211 1.00 10.00 C ATOM 503 O GLY A 34 -10.722 -52.265 -4.864 1.00 10.00 O ATOM 0 H GLY A 34 -14.507 -53.662 -3.505 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -12.858 -53.900 -4.991 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -13.283 -52.367 -5.728 1.00 10.00 H new ATOM 507 N GLU A 35 -11.818 -51.647 -3.007 1.00 10.00 N ATOM 508 CA GLU A 35 -10.687 -51.013 -2.316 1.00 10.00 C ATOM 509 C GLU A 35 -10.901 -50.964 -0.793 1.00 10.00 C ATOM 510 O GLU A 35 -12.021 -51.133 -0.304 1.00 10.00 O ATOM 511 CB GLU A 35 -10.442 -49.595 -2.876 1.00 10.00 C ATOM 512 CG GLU A 35 -11.617 -48.625 -2.680 1.00 10.00 C ATOM 513 CD GLU A 35 -11.332 -47.255 -3.324 1.00 10.00 C ATOM 514 OE1 GLU A 35 -11.300 -47.158 -4.576 1.00 10.00 O ATOM 515 OE2 GLU A 35 -11.152 -46.260 -2.582 1.00 10.00 O ATOM 0 H GLU A 35 -12.680 -51.609 -2.463 1.00 10.00 H new ATOM 0 HA GLU A 35 -9.803 -51.624 -2.501 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -9.557 -49.176 -2.397 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -10.223 -49.671 -3.941 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -12.520 -49.053 -3.116 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -11.809 -48.495 -1.615 1.00 10.00 H new ATOM 522 N ILE A 36 -9.817 -50.739 -0.045 1.00 10.00 N ATOM 523 CA ILE A 36 -9.786 -50.669 1.420 1.00 10.00 C ATOM 524 C ILE A 36 -8.973 -49.448 1.860 1.00 10.00 C ATOM 525 O ILE A 36 -7.879 -49.196 1.353 1.00 10.00 O ATOM 526 CB ILE A 36 -9.158 -51.956 2.014 1.00 10.00 C ATOM 527 CG1 ILE A 36 -9.790 -53.227 1.408 1.00 10.00 C ATOM 528 CG2 ILE A 36 -9.285 -51.968 3.551 1.00 10.00 C ATOM 529 CD1 ILE A 36 -9.184 -54.530 1.919 1.00 10.00 C ATOM 0 H ILE A 36 -8.897 -50.594 -0.461 1.00 10.00 H new ATOM 0 HA ILE A 36 -10.808 -50.579 1.787 1.00 10.00 H new ATOM 0 HB ILE A 36 -8.100 -51.955 1.753 1.00 10.00 H new ATOM 0 HG12 ILE A 36 -10.858 -53.227 1.624 1.00 10.00 H new ATOM 0 HG13 ILE A 36 -9.684 -53.191 0.324 1.00 10.00 H new ATOM 0 HG21 ILE A 36 -8.838 -52.880 3.946 1.00 10.00 H new ATOM 0 HG22 ILE A 36 -8.769 -51.102 3.965 1.00 10.00 H new ATOM 0 HG23 ILE A 36 -10.338 -51.930 3.829 1.00 10.00 H new ATOM 0 HD11 ILE A 36 -9.684 -55.374 1.444 1.00 10.00 H new ATOM 0 HD12 ILE A 36 -8.121 -54.556 1.679 1.00 10.00 H new ATOM 0 HD13 ILE A 36 -9.314 -54.592 2.999 1.00 10.00 H new ATOM 541 N ASP A 37 -9.486 -48.719 2.848 1.00 10.00 N ATOM 542 CA ASP A 37 -8.800 -47.597 3.499 1.00 10.00 C ATOM 543 C ASP A 37 -8.192 -48.111 4.817 1.00 10.00 C ATOM 544 O ASP A 37 -8.874 -48.780 5.600 1.00 10.00 O ATOM 545 CB ASP A 37 -9.790 -46.448 3.730 1.00 10.00 C ATOM 546 CG ASP A 37 -9.121 -45.249 4.420 1.00 10.00 C ATOM 547 OD1 ASP A 37 -8.495 -44.418 3.720 1.00 10.00 O ATOM 548 OD2 ASP A 37 -9.236 -45.122 5.661 1.00 10.00 O ATOM 0 H ASP A 37 -10.415 -48.894 3.231 1.00 10.00 H new ATOM 0 HA ASP A 37 -7.999 -47.207 2.871 1.00 10.00 H new ATOM 0 HB2 ASP A 37 -10.208 -46.131 2.775 1.00 10.00 H new ATOM 0 HB3 ASP A 37 -10.621 -46.801 4.340 1.00 10.00 H new ATOM 553 N MET A 38 -6.910 -47.824 5.057 1.00 10.00 N ATOM 554 CA MET A 38 -6.162 -48.288 6.232 1.00 10.00 C ATOM 555 C MET A 38 -5.409 -47.136 6.908 1.00 10.00 C ATOM 556 O MET A 38 -5.038 -46.151 6.266 1.00 10.00 O ATOM 557 CB MET A 38 -5.222 -49.429 5.797 1.00 10.00 C ATOM 558 CG MET A 38 -4.454 -50.080 6.956 1.00 10.00 C ATOM 559 SD MET A 38 -5.488 -50.832 8.242 1.00 10.00 S ATOM 560 CE MET A 38 -4.179 -51.414 9.351 1.00 10.00 C ATOM 0 H MET A 38 -6.349 -47.250 4.427 1.00 10.00 H new ATOM 0 HA MET A 38 -6.854 -48.670 6.983 1.00 10.00 H new ATOM 0 HB2 MET A 38 -5.807 -50.194 5.287 1.00 10.00 H new ATOM 0 HB3 MET A 38 -4.506 -49.040 5.073 1.00 10.00 H new ATOM 0 HG2 MET A 38 -3.794 -50.846 6.549 1.00 10.00 H new ATOM 0 HG3 MET A 38 -3.818 -49.325 7.419 1.00 10.00 H new ATOM 0 HE1 MET A 38 -4.626 -51.910 10.212 1.00 10.00 H new ATOM 0 HE2 MET A 38 -3.538 -52.117 8.819 1.00 10.00 H new ATOM 0 HE3 MET A 38 -3.585 -50.565 9.689 1.00 10.00 H new ATOM 570 N HIS A 39 -5.183 -47.268 8.216 1.00 10.00 N ATOM 571 CA HIS A 39 -4.503 -46.279 9.048 1.00 10.00 C ATOM 572 C HIS A 39 -2.998 -46.563 9.201 1.00 10.00 C ATOM 573 O HIS A 39 -2.564 -47.705 9.376 1.00 10.00 O ATOM 574 CB HIS A 39 -5.190 -46.230 10.424 1.00 10.00 C ATOM 575 CG HIS A 39 -5.246 -47.555 11.153 1.00 10.00 C ATOM 576 ND1 HIS A 39 -6.292 -48.453 11.136 1.00 10.00 N ATOM 577 CD2 HIS A 39 -4.269 -48.095 11.949 1.00 10.00 C ATOM 578 CE1 HIS A 39 -5.952 -49.510 11.894 1.00 10.00 C ATOM 579 NE2 HIS A 39 -4.724 -49.337 12.416 1.00 10.00 N ATOM 0 H HIS A 39 -5.478 -48.092 8.740 1.00 10.00 H new ATOM 0 HA HIS A 39 -4.580 -45.311 8.553 1.00 10.00 H new ATOM 0 HB2 HIS A 39 -4.666 -45.508 11.051 1.00 10.00 H new ATOM 0 HB3 HIS A 39 -6.207 -45.860 10.294 1.00 10.00 H new ATOM 0 HD2 HIS A 39 -3.315 -47.643 12.177 1.00 10.00 H new ATOM 0 HE1 HIS A 39 -6.576 -50.375 12.060 1.00 10.00 H new ATOM 0 HE2 HIS A 39 -4.224 -49.981 13.029 1.00 10.00 H new ATOM 587 N CYS A 40 -2.211 -45.487 9.196 1.00 10.00 N ATOM 588 CA CYS A 40 -0.778 -45.476 9.448 1.00 10.00 C ATOM 589 C CYS A 40 -0.573 -45.609 10.968 1.00 10.00 C ATOM 590 O CYS A 40 -0.629 -44.624 11.705 1.00 10.00 O ATOM 591 CB CYS A 40 -0.206 -44.168 8.879 1.00 10.00 C ATOM 592 SG CYS A 40 1.589 -44.065 9.140 1.00 10.00 S ATOM 0 H CYS A 40 -2.579 -44.555 9.006 1.00 10.00 H new ATOM 0 HA CYS A 40 -0.255 -46.301 8.964 1.00 10.00 H new ATOM 0 HB2 CYS A 40 -0.425 -44.106 7.813 1.00 10.00 H new ATOM 0 HB3 CYS A 40 -0.694 -43.318 9.355 1.00 10.00 H new ATOM 597 N ASP A 41 -0.379 -46.835 11.459 1.00 10.00 N ATOM 598 CA ASP A 41 -0.185 -47.123 12.892 1.00 10.00 C ATOM 599 C ASP A 41 1.008 -46.358 13.515 1.00 10.00 C ATOM 600 O ASP A 41 1.071 -46.159 14.731 1.00 10.00 O ATOM 601 CB ASP A 41 -0.023 -48.642 13.058 1.00 10.00 C ATOM 602 CG ASP A 41 0.063 -49.071 14.534 1.00 10.00 C ATOM 603 OD1 ASP A 41 -0.942 -48.918 15.270 1.00 10.00 O ATOM 604 OD2 ASP A 41 1.122 -49.598 14.953 1.00 10.00 O ATOM 0 H ASP A 41 -0.351 -47.668 10.871 1.00 10.00 H new ATOM 0 HA ASP A 41 -1.062 -46.771 13.435 1.00 10.00 H new ATOM 0 HB2 ASP A 41 -0.865 -49.147 12.585 1.00 10.00 H new ATOM 0 HB3 ASP A 41 0.877 -48.967 12.536 1.00 10.00 H new ATOM 609 N TYR A 42 1.943 -45.909 12.674 1.00 10.00 N ATOM 610 CA TYR A 42 3.146 -45.167 13.040 1.00 10.00 C ATOM 611 C TYR A 42 2.936 -43.654 13.248 1.00 10.00 C ATOM 612 O TYR A 42 3.595 -43.077 14.120 1.00 10.00 O ATOM 613 CB TYR A 42 4.175 -45.396 11.926 1.00 10.00 C ATOM 614 CG TYR A 42 4.683 -46.826 11.876 1.00 10.00 C ATOM 615 CD1 TYR A 42 5.732 -47.222 12.729 1.00 10.00 C ATOM 616 CD2 TYR A 42 4.067 -47.775 11.034 1.00 10.00 C ATOM 617 CE1 TYR A 42 6.168 -48.562 12.739 1.00 10.00 C ATOM 618 CE2 TYR A 42 4.486 -49.121 11.058 1.00 10.00 C ATOM 619 CZ TYR A 42 5.541 -49.517 11.910 1.00 10.00 C ATOM 620 OH TYR A 42 5.960 -50.812 11.938 1.00 10.00 O ATOM 0 H TYR A 42 1.875 -46.063 11.668 1.00 10.00 H new ATOM 0 HA TYR A 42 3.479 -45.540 14.009 1.00 10.00 H new ATOM 0 HB2 TYR A 42 3.726 -45.141 10.966 1.00 10.00 H new ATOM 0 HB3 TYR A 42 5.018 -44.721 12.073 1.00 10.00 H new ATOM 0 HD1 TYR A 42 6.203 -46.497 13.377 1.00 10.00 H new ATOM 0 HD2 TYR A 42 3.272 -47.470 10.369 1.00 10.00 H new ATOM 0 HE1 TYR A 42 6.983 -48.859 13.382 1.00 10.00 H new ATOM 0 HE2 TYR A 42 4.001 -49.849 10.425 1.00 10.00 H new ATOM 0 HH TYR A 42 5.426 -51.342 11.310 1.00 10.00 H new ATOM 630 N CYS A 43 2.058 -43.017 12.460 1.00 10.00 N ATOM 631 CA CYS A 43 1.846 -41.557 12.461 1.00 10.00 C ATOM 632 C CYS A 43 0.394 -41.067 12.675 1.00 10.00 C ATOM 633 O CYS A 43 0.186 -39.886 12.962 1.00 10.00 O ATOM 634 CB CYS A 43 2.370 -40.993 11.127 1.00 10.00 C ATOM 635 SG CYS A 43 4.032 -41.591 10.698 1.00 10.00 S ATOM 0 H CYS A 43 1.464 -43.508 11.792 1.00 10.00 H new ATOM 0 HA CYS A 43 2.389 -41.190 13.332 1.00 10.00 H new ATOM 0 HB2 CYS A 43 1.677 -41.262 10.330 1.00 10.00 H new ATOM 0 HB3 CYS A 43 2.386 -39.904 11.182 1.00 10.00 H new ATOM 640 N GLY A 44 -0.616 -41.926 12.520 1.00 10.00 N ATOM 641 CA GLY A 44 -2.039 -41.575 12.663 1.00 10.00 C ATOM 642 C GLY A 44 -2.728 -41.150 11.353 1.00 10.00 C ATOM 643 O GLY A 44 -3.937 -40.907 11.346 1.00 10.00 O ATOM 0 H GLY A 44 -0.469 -42.908 12.286 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -2.571 -42.431 13.077 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -2.129 -40.764 13.386 1.00 10.00 H new ATOM 647 N ASN A 45 -1.976 -41.075 10.249 1.00 10.00 N ATOM 648 CA ASN A 45 -2.458 -40.769 8.894 1.00 10.00 C ATOM 649 C ASN A 45 -3.280 -41.952 8.308 1.00 10.00 C ATOM 650 O ASN A 45 -3.465 -42.974 8.972 1.00 10.00 O ATOM 651 CB ASN A 45 -1.207 -40.421 8.049 1.00 10.00 C ATOM 652 CG ASN A 45 -1.524 -39.916 6.649 1.00 10.00 C ATOM 653 OD1 ASN A 45 -2.520 -39.247 6.416 1.00 10.00 O ATOM 654 ND2 ASN A 45 -0.719 -40.246 5.667 1.00 10.00 N ATOM 0 H ASN A 45 -0.969 -41.233 10.275 1.00 10.00 H new ATOM 0 HA ASN A 45 -3.147 -39.924 8.895 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -0.626 -39.663 8.574 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -0.577 -41.307 7.970 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -0.926 -39.944 4.715 1.00 10.00 H new ATOM 0 HD22 ASN A 45 0.114 -40.804 5.856 1.00 10.00 H new ATOM 661 N HIS A 46 -3.748 -41.862 7.060 1.00 10.00 N ATOM 662 CA HIS A 46 -4.459 -42.944 6.361 1.00 10.00 C ATOM 663 C HIS A 46 -4.074 -43.016 4.871 1.00 10.00 C ATOM 664 O HIS A 46 -3.564 -42.043 4.306 1.00 10.00 O ATOM 665 CB HIS A 46 -5.978 -42.814 6.568 1.00 10.00 C ATOM 666 CG HIS A 46 -6.643 -41.745 5.736 1.00 10.00 C ATOM 667 ND1 HIS A 46 -7.511 -41.962 4.691 1.00 10.00 N ATOM 668 CD2 HIS A 46 -6.519 -40.388 5.881 1.00 10.00 C ATOM 669 CE1 HIS A 46 -7.904 -40.770 4.214 1.00 10.00 C ATOM 670 NE2 HIS A 46 -7.323 -39.773 4.909 1.00 10.00 N ATOM 0 H HIS A 46 -3.643 -41.020 6.494 1.00 10.00 H new ATOM 0 HA HIS A 46 -4.147 -43.892 6.799 1.00 10.00 H new ATOM 0 HB2 HIS A 46 -6.444 -43.773 6.342 1.00 10.00 H new ATOM 0 HB3 HIS A 46 -6.170 -42.607 7.621 1.00 10.00 H new ATOM 0 HD1 HIS A 46 -7.806 -42.873 4.339 1.00 10.00 H new ATOM 0 HD2 HIS A 46 -5.910 -39.881 6.614 1.00 10.00 H new ATOM 0 HE1 HIS A 46 -8.588 -40.630 3.390 1.00 10.00 H new ATOM 678 N TYR A 47 -4.323 -44.163 4.231 1.00 10.00 N ATOM 679 CA TYR A 47 -4.010 -44.448 2.833 1.00 10.00 C ATOM 680 C TYR A 47 -5.032 -45.448 2.286 1.00 10.00 C ATOM 681 O TYR A 47 -5.601 -46.242 3.040 1.00 10.00 O ATOM 682 CB TYR A 47 -2.604 -45.066 2.730 1.00 10.00 C ATOM 683 CG TYR A 47 -1.442 -44.117 2.965 1.00 10.00 C ATOM 684 CD1 TYR A 47 -1.021 -43.259 1.929 1.00 10.00 C ATOM 685 CD2 TYR A 47 -0.757 -44.116 4.197 1.00 10.00 C ATOM 686 CE1 TYR A 47 0.086 -42.410 2.119 1.00 10.00 C ATOM 687 CE2 TYR A 47 0.356 -43.275 4.389 1.00 10.00 C ATOM 688 CZ TYR A 47 0.781 -42.420 3.349 1.00 10.00 C ATOM 689 OH TYR A 47 1.853 -41.604 3.539 1.00 10.00 O ATOM 0 H TYR A 47 -4.769 -44.953 4.698 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.044 -43.522 2.259 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.533 -45.881 3.450 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.494 -45.506 1.739 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.549 -43.253 0.987 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -1.087 -44.763 4.997 1.00 10.00 H new ATOM 0 HE1 TYR A 47 0.404 -41.751 1.324 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.884 -43.284 5.331 1.00 10.00 H new ATOM 0 HH TYR A 47 2.211 -41.739 4.441 1.00 10.00 H new ATOM 699 N LEU A 48 -5.236 -45.434 0.968 1.00 10.00 N ATOM 700 CA LEU A 48 -6.177 -46.311 0.272 1.00 10.00 C ATOM 701 C LEU A 48 -5.461 -47.327 -0.636 1.00 10.00 C ATOM 702 O LEU A 48 -4.446 -47.003 -1.256 1.00 10.00 O ATOM 703 CB LEU A 48 -7.238 -45.476 -0.477 1.00 10.00 C ATOM 704 CG LEU A 48 -6.806 -44.789 -1.794 1.00 10.00 C ATOM 705 CD1 LEU A 48 -8.001 -44.048 -2.394 1.00 10.00 C ATOM 706 CD2 LEU A 48 -5.676 -43.765 -1.632 1.00 10.00 C ATOM 0 H LEU A 48 -4.741 -44.799 0.342 1.00 10.00 H new ATOM 0 HA LEU A 48 -6.701 -46.909 1.018 1.00 10.00 H new ATOM 0 HB2 LEU A 48 -8.084 -46.127 -0.699 1.00 10.00 H new ATOM 0 HB3 LEU A 48 -7.600 -44.704 0.202 1.00 10.00 H new ATOM 0 HG LEU A 48 -6.439 -45.592 -2.434 1.00 10.00 H new ATOM 0 HD11 LEU A 48 -7.699 -43.563 -3.322 1.00 10.00 H new ATOM 0 HD12 LEU A 48 -8.803 -44.757 -2.599 1.00 10.00 H new ATOM 0 HD13 LEU A 48 -8.354 -43.295 -1.689 1.00 10.00 H new ATOM 0 HD21 LEU A 48 -5.436 -43.332 -2.603 1.00 10.00 H new ATOM 0 HD22 LEU A 48 -5.995 -42.976 -0.951 1.00 10.00 H new ATOM 0 HD23 LEU A 48 -4.793 -44.259 -1.226 1.00 10.00 H new ATOM 718 N PHE A 49 -5.977 -48.556 -0.696 1.00 10.00 N ATOM 719 CA PHE A 49 -5.411 -49.690 -1.439 1.00 10.00 C ATOM 720 C PHE A 49 -6.496 -50.427 -2.233 1.00 10.00 C ATOM 721 O PHE A 49 -7.478 -50.906 -1.666 1.00 10.00 O ATOM 722 CB PHE A 49 -4.743 -50.643 -0.433 1.00 10.00 C ATOM 723 CG PHE A 49 -3.615 -50.022 0.371 1.00 10.00 C ATOM 724 CD1 PHE A 49 -3.884 -49.333 1.570 1.00 10.00 C ATOM 725 CD2 PHE A 49 -2.292 -50.119 -0.094 1.00 10.00 C ATOM 726 CE1 PHE A 49 -2.836 -48.732 2.289 1.00 10.00 C ATOM 727 CE2 PHE A 49 -1.249 -49.500 0.614 1.00 10.00 C ATOM 728 CZ PHE A 49 -1.518 -48.807 1.806 1.00 10.00 C ATOM 0 H PHE A 49 -6.838 -48.802 -0.208 1.00 10.00 H new ATOM 0 HA PHE A 49 -4.676 -49.324 -2.155 1.00 10.00 H new ATOM 0 HB2 PHE A 49 -5.502 -51.013 0.256 1.00 10.00 H new ATOM 0 HB3 PHE A 49 -4.354 -51.506 -0.973 1.00 10.00 H new ATOM 0 HD1 PHE A 49 -4.897 -49.266 1.938 1.00 10.00 H new ATOM 0 HD2 PHE A 49 -2.077 -50.671 -0.997 1.00 10.00 H new ATOM 0 HE1 PHE A 49 -3.044 -48.212 3.213 1.00 10.00 H new ATOM 0 HE2 PHE A 49 -0.237 -49.557 0.241 1.00 10.00 H new ATOM 0 HZ PHE A 49 -0.714 -48.333 2.350 1.00 10.00 H new ATOM 738 N ASN A 50 -6.325 -50.522 -3.553 1.00 10.00 N ATOM 739 CA ASN A 50 -7.263 -51.209 -4.447 1.00 10.00 C ATOM 740 C ASN A 50 -7.014 -52.727 -4.470 1.00 10.00 C ATOM 741 O ASN A 50 -5.970 -53.211 -4.021 1.00 10.00 O ATOM 742 CB ASN A 50 -7.147 -50.623 -5.866 1.00 10.00 C ATOM 743 CG ASN A 50 -7.324 -49.113 -5.903 1.00 10.00 C ATOM 744 OD1 ASN A 50 -6.370 -48.350 -5.831 1.00 10.00 O ATOM 745 ND2 ASN A 50 -8.542 -48.634 -6.004 1.00 10.00 N ATOM 0 H ASN A 50 -5.523 -50.120 -4.038 1.00 10.00 H new ATOM 0 HA ASN A 50 -8.273 -51.050 -4.070 1.00 10.00 H new ATOM 0 HB2 ASN A 50 -6.172 -50.879 -6.280 1.00 10.00 H new ATOM 0 HB3 ASN A 50 -7.897 -51.087 -6.507 1.00 10.00 H new ATOM 0 HD21 ASN A 50 -8.693 -47.625 -6.023 1.00 10.00 H new ATOM 0 HD22 ASN A 50 -9.337 -49.270 -6.064 1.00 10.00 H new ATOM 752 N ALA A 51 -7.950 -53.477 -5.056 1.00 10.00 N ATOM 753 CA ALA A 51 -7.858 -54.933 -5.194 1.00 10.00 C ATOM 754 C ALA A 51 -6.564 -55.378 -5.903 1.00 10.00 C ATOM 755 O ALA A 51 -5.942 -56.357 -5.494 1.00 10.00 O ATOM 756 CB ALA A 51 -9.094 -55.430 -5.955 1.00 10.00 C ATOM 0 H ALA A 51 -8.804 -53.086 -5.453 1.00 10.00 H new ATOM 0 HA ALA A 51 -7.825 -55.373 -4.197 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -9.041 -56.513 -6.067 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -9.994 -55.166 -5.400 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -9.126 -54.965 -6.940 1.00 10.00 H new ATOM 762 N MET A 52 -6.129 -54.640 -6.932 1.00 10.00 N ATOM 763 CA MET A 52 -4.891 -54.921 -7.674 1.00 10.00 C ATOM 764 C MET A 52 -3.629 -54.718 -6.820 1.00 10.00 C ATOM 765 O MET A 52 -2.691 -55.508 -6.916 1.00 10.00 O ATOM 766 CB MET A 52 -4.812 -54.031 -8.924 1.00 10.00 C ATOM 767 CG MET A 52 -5.918 -54.351 -9.940 1.00 10.00 C ATOM 768 SD MET A 52 -5.833 -53.403 -11.488 1.00 10.00 S ATOM 769 CE MET A 52 -6.207 -51.731 -10.886 1.00 10.00 C ATOM 0 H MET A 52 -6.631 -53.822 -7.277 1.00 10.00 H new ATOM 0 HA MET A 52 -4.926 -55.972 -7.961 1.00 10.00 H new ATOM 0 HB2 MET A 52 -4.886 -52.985 -8.627 1.00 10.00 H new ATOM 0 HB3 MET A 52 -3.839 -54.160 -9.398 1.00 10.00 H new ATOM 0 HG2 MET A 52 -5.875 -55.414 -10.179 1.00 10.00 H new ATOM 0 HG3 MET A 52 -6.885 -54.168 -9.472 1.00 10.00 H new ATOM 0 HE1 MET A 52 -6.298 -51.051 -11.733 1.00 10.00 H new ATOM 0 HE2 MET A 52 -7.145 -51.746 -10.330 1.00 10.00 H new ATOM 0 HE3 MET A 52 -5.403 -51.391 -10.233 1.00 10.00 H new ATOM 779 N ASP A 53 -3.593 -53.696 -5.956 1.00 10.00 N ATOM 780 CA ASP A 53 -2.440 -53.437 -5.081 1.00 10.00 C ATOM 781 C ASP A 53 -2.351 -54.506 -3.980 1.00 10.00 C ATOM 782 O ASP A 53 -1.290 -55.071 -3.715 1.00 10.00 O ATOM 783 CB ASP A 53 -2.576 -52.023 -4.496 1.00 10.00 C ATOM 784 CG ASP A 53 -1.254 -51.400 -4.009 1.00 10.00 C ATOM 785 OD1 ASP A 53 -0.164 -51.994 -4.171 1.00 10.00 O ATOM 786 OD2 ASP A 53 -1.312 -50.260 -3.491 1.00 10.00 O ATOM 0 H ASP A 53 -4.356 -53.029 -5.843 1.00 10.00 H new ATOM 0 HA ASP A 53 -1.513 -53.493 -5.652 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -3.012 -51.371 -5.253 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -3.276 -52.055 -3.661 1.00 10.00 H new ATOM 791 N ILE A 54 -3.498 -54.854 -3.387 1.00 10.00 N ATOM 792 CA ILE A 54 -3.624 -55.920 -2.386 1.00 10.00 C ATOM 793 C ILE A 54 -3.240 -57.278 -2.998 1.00 10.00 C ATOM 794 O ILE A 54 -2.583 -58.088 -2.341 1.00 10.00 O ATOM 795 CB ILE A 54 -5.053 -55.879 -1.805 1.00 10.00 C ATOM 796 CG1 ILE A 54 -5.188 -54.616 -0.922 1.00 10.00 C ATOM 797 CG2 ILE A 54 -5.374 -57.135 -0.982 1.00 10.00 C ATOM 798 CD1 ILE A 54 -6.635 -54.191 -0.669 1.00 10.00 C ATOM 0 H ILE A 54 -4.384 -54.393 -3.594 1.00 10.00 H new ATOM 0 HA ILE A 54 -2.930 -55.767 -1.559 1.00 10.00 H new ATOM 0 HB ILE A 54 -5.765 -55.847 -2.630 1.00 10.00 H new ATOM 0 HG12 ILE A 54 -4.701 -54.800 0.035 1.00 10.00 H new ATOM 0 HG13 ILE A 54 -4.655 -53.793 -1.398 1.00 10.00 H new ATOM 0 HG21 ILE A 54 -6.389 -57.065 -0.592 1.00 10.00 H new ATOM 0 HG22 ILE A 54 -5.289 -58.017 -1.617 1.00 10.00 H new ATOM 0 HG23 ILE A 54 -4.671 -57.216 -0.153 1.00 10.00 H new ATOM 0 HD11 ILE A 54 -6.648 -53.299 -0.043 1.00 10.00 H new ATOM 0 HD12 ILE A 54 -7.122 -53.974 -1.620 1.00 10.00 H new ATOM 0 HD13 ILE A 54 -7.168 -54.997 -0.164 1.00 10.00 H new ATOM 810 N ALA A 55 -3.583 -57.516 -4.268 1.00 10.00 N ATOM 811 CA ALA A 55 -3.197 -58.732 -4.985 1.00 10.00 C ATOM 812 C ALA A 55 -1.671 -58.808 -5.182 1.00 10.00 C ATOM 813 O ALA A 55 -1.088 -59.877 -5.004 1.00 10.00 O ATOM 814 CB ALA A 55 -3.945 -58.809 -6.321 1.00 10.00 C ATOM 0 H ALA A 55 -4.138 -56.868 -4.828 1.00 10.00 H new ATOM 0 HA ALA A 55 -3.479 -59.596 -4.383 1.00 10.00 H new ATOM 0 HB1 ALA A 55 -3.653 -59.716 -6.850 1.00 10.00 H new ATOM 0 HB2 ALA A 55 -5.019 -58.826 -6.136 1.00 10.00 H new ATOM 0 HB3 ALA A 55 -3.695 -57.939 -6.928 1.00 10.00 H new ATOM 820 N GLU A 56 -0.998 -57.692 -5.486 1.00 10.00 N ATOM 821 CA GLU A 56 0.469 -57.647 -5.603 1.00 10.00 C ATOM 822 C GLU A 56 1.124 -57.908 -4.236 1.00 10.00 C ATOM 823 O GLU A 56 2.065 -58.697 -4.143 1.00 10.00 O ATOM 824 CB GLU A 56 0.934 -56.298 -6.178 1.00 10.00 C ATOM 825 CG GLU A 56 0.663 -56.145 -7.682 1.00 10.00 C ATOM 826 CD GLU A 56 1.606 -57.022 -8.530 1.00 10.00 C ATOM 827 OE1 GLU A 56 2.741 -56.580 -8.835 1.00 10.00 O ATOM 828 OE2 GLU A 56 1.221 -58.156 -8.904 1.00 10.00 O ATOM 0 H GLU A 56 -1.452 -56.795 -5.658 1.00 10.00 H new ATOM 0 HA GLU A 56 0.780 -58.432 -6.292 1.00 10.00 H new ATOM 0 HB2 GLU A 56 0.432 -55.492 -5.643 1.00 10.00 H new ATOM 0 HB3 GLU A 56 2.003 -56.184 -5.996 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -0.372 -56.415 -7.893 1.00 10.00 H new ATOM 0 HG3 GLU A 56 0.784 -55.100 -7.968 1.00 10.00 H new ATOM 835 N ILE A 57 0.590 -57.309 -3.163 1.00 10.00 N ATOM 836 CA ILE A 57 1.045 -57.524 -1.778 1.00 10.00 C ATOM 837 C ILE A 57 0.921 -59.014 -1.400 1.00 10.00 C ATOM 838 O ILE A 57 1.855 -59.583 -0.829 1.00 10.00 O ATOM 839 CB ILE A 57 0.252 -56.587 -0.830 1.00 10.00 C ATOM 840 CG1 ILE A 57 0.705 -55.120 -1.031 1.00 10.00 C ATOM 841 CG2 ILE A 57 0.402 -56.980 0.654 1.00 10.00 C ATOM 842 CD1 ILE A 57 -0.264 -54.080 -0.449 1.00 10.00 C ATOM 0 H ILE A 57 -0.185 -56.649 -3.232 1.00 10.00 H new ATOM 0 HA ILE A 57 2.101 -57.271 -1.680 1.00 10.00 H new ATOM 0 HB ILE A 57 -0.802 -56.690 -1.089 1.00 10.00 H new ATOM 0 HG12 ILE A 57 1.684 -54.987 -0.570 1.00 10.00 H new ATOM 0 HG13 ILE A 57 0.826 -54.931 -2.098 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -0.173 -56.291 1.273 1.00 10.00 H new ATOM 0 HG22 ILE A 57 0.032 -57.995 0.801 1.00 10.00 H new ATOM 0 HG23 ILE A 57 1.453 -56.932 0.939 1.00 10.00 H new ATOM 0 HD11 ILE A 57 0.125 -53.078 -0.631 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -1.238 -54.183 -0.927 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -0.367 -54.240 0.624 1.00 10.00 H new ATOM 854 N ARG A 58 -0.185 -59.681 -1.766 1.00 10.00 N ATOM 855 CA ARG A 58 -0.388 -61.124 -1.526 1.00 10.00 C ATOM 856 C ARG A 58 0.482 -62.020 -2.415 1.00 10.00 C ATOM 857 O ARG A 58 0.893 -63.085 -1.958 1.00 10.00 O ATOM 858 CB ARG A 58 -1.881 -61.489 -1.655 1.00 10.00 C ATOM 859 CG ARG A 58 -2.669 -61.286 -0.348 1.00 10.00 C ATOM 860 CD ARG A 58 -2.252 -62.310 0.725 1.00 10.00 C ATOM 861 NE ARG A 58 -3.106 -62.269 1.925 1.00 10.00 N ATOM 862 CZ ARG A 58 -2.939 -61.541 3.013 1.00 10.00 C ATOM 863 NH1 ARG A 58 -2.044 -60.602 3.099 1.00 10.00 N ATOM 864 NH2 ARG A 58 -3.667 -61.750 4.067 1.00 10.00 N ATOM 0 H ARG A 58 -0.970 -59.234 -2.240 1.00 10.00 H new ATOM 0 HA ARG A 58 -0.063 -61.317 -0.504 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -2.330 -60.882 -2.441 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -1.969 -62.530 -1.967 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -2.502 -60.276 0.026 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -3.737 -61.379 -0.547 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -2.286 -63.311 0.296 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -1.218 -62.123 1.015 1.00 10.00 H new ATOM 0 HE ARG A 58 -3.925 -62.877 1.913 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -1.435 -60.403 2.305 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -1.950 -60.064 3.961 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -4.376 -62.483 4.060 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -3.530 -61.181 4.903 1.00 10.00 H new ATOM 878 N ASN A 59 0.808 -61.605 -3.642 1.00 10.00 N ATOM 879 CA ASN A 59 1.715 -62.358 -4.524 1.00 10.00 C ATOM 880 C ASN A 59 3.175 -62.299 -4.041 1.00 10.00 C ATOM 881 O ASN A 59 3.945 -63.244 -4.226 1.00 10.00 O ATOM 882 CB ASN A 59 1.567 -61.885 -5.983 1.00 10.00 C ATOM 883 CG ASN A 59 0.465 -62.634 -6.713 1.00 10.00 C ATOM 884 OD1 ASN A 59 0.697 -63.634 -7.380 1.00 10.00 O ATOM 885 ND2 ASN A 59 -0.768 -62.198 -6.604 1.00 10.00 N ATOM 0 H ASN A 59 0.454 -60.742 -4.054 1.00 10.00 H new ATOM 0 HA ASN A 59 1.425 -63.408 -4.482 1.00 10.00 H new ATOM 0 HB2 ASN A 59 1.351 -60.817 -5.998 1.00 10.00 H new ATOM 0 HB3 ASN A 59 2.512 -62.027 -6.508 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -1.527 -62.692 -7.074 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -0.967 -61.365 -6.050 1.00 10.00 H new ATOM 892 N ASN A 60 3.534 -61.196 -3.389 1.00 10.00 N ATOM 893 CA ASN A 60 4.845 -60.958 -2.782 1.00 10.00 C ATOM 894 C ASN A 60 4.989 -61.703 -1.434 1.00 10.00 C ATOM 895 O ASN A 60 6.004 -62.362 -1.200 1.00 10.00 O ATOM 896 CB ASN A 60 5.021 -59.438 -2.624 1.00 10.00 C ATOM 897 CG ASN A 60 6.321 -59.088 -1.926 1.00 10.00 C ATOM 898 OD1 ASN A 60 6.392 -59.037 -0.708 1.00 10.00 O ATOM 899 ND2 ASN A 60 7.386 -58.857 -2.662 1.00 10.00 N ATOM 0 H ASN A 60 2.895 -60.411 -3.263 1.00 10.00 H new ATOM 0 HA ASN A 60 5.633 -61.352 -3.423 1.00 10.00 H new ATOM 0 HB2 ASN A 60 4.998 -58.966 -3.606 1.00 10.00 H new ATOM 0 HB3 ASN A 60 4.184 -59.033 -2.056 1.00 10.00 H new ATOM 0 HD21 ASN A 60 8.276 -58.634 -2.216 1.00 10.00 H new ATOM 0 HD22 ASN A 60 7.322 -58.901 -3.679 1.00 10.00 H new ATOM 906 N ALA A 61 3.963 -61.621 -0.575 1.00 10.00 N ATOM 907 CA ALA A 61 3.849 -62.263 0.743 1.00 10.00 C ATOM 908 C ALA A 61 5.033 -62.067 1.731 1.00 10.00 C ATOM 909 O ALA A 61 5.187 -62.858 2.668 1.00 10.00 O ATOM 910 CB ALA A 61 3.471 -63.740 0.530 1.00 10.00 C ATOM 0 H ALA A 61 3.135 -61.068 -0.797 1.00 10.00 H new ATOM 0 HA ALA A 61 3.058 -61.734 1.275 1.00 10.00 H new ATOM 0 HB1 ALA A 61 3.381 -64.236 1.497 1.00 10.00 H new ATOM 0 HB2 ALA A 61 2.519 -63.800 0.002 1.00 10.00 H new ATOM 0 HB3 ALA A 61 4.244 -64.232 -0.060 1.00 10.00 H new ATOM 916 N SER A 62 5.867 -61.031 1.550 1.00 10.00 N ATOM 917 CA SER A 62 7.032 -60.690 2.400 1.00 10.00 C ATOM 918 C SER A 62 7.190 -59.165 2.538 1.00 10.00 C ATOM 919 O SER A 62 8.262 -58.603 2.215 1.00 10.00 O ATOM 920 CB SER A 62 8.301 -61.356 1.847 1.00 10.00 C ATOM 921 OG SER A 62 8.244 -62.756 2.065 1.00 10.00 O ATOM 0 H SER A 62 5.748 -60.377 0.776 1.00 10.00 H new ATOM 0 HA SER A 62 6.862 -61.079 3.404 1.00 10.00 H new ATOM 0 HB2 SER A 62 8.396 -61.148 0.781 1.00 10.00 H new ATOM 0 HB3 SER A 62 9.183 -60.939 2.333 1.00 10.00 H new ATOM 0 HG SER A 62 9.055 -63.176 1.709 1.00 10.00 H new TER 927 SER A 62 HETATM 928 ZN ZN A 63 3.486 -42.804 8.832 1.00 10.00 ZN