USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -147:sc= 1.28 (180deg=1.17) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 159:sc= -0.155 (180deg=-0.758) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 144:sc= 1.32 (180deg=1.01) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.297 K(o=0.3,f=-4.4!) USER MOD Single : A 26 ASN : amide:sc= 1.08 K(o=1.1,f=-0.017) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0249) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0273 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.13) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 47 LYS NZ :NH3+ -151:sc= 1.22 (180deg=0.226) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= -0.03 (180deg=-0.18) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -9.711 -8.821 16.107 1.00 0.00 N ATOM 2 CA ARG A 1 -9.446 -9.804 15.024 1.00 0.00 C ATOM 3 C ARG A 1 -8.371 -9.291 14.063 1.00 0.00 C ATOM 4 O ARG A 1 -8.394 -8.131 13.659 1.00 0.00 O ATOM 5 CB ARG A 1 -10.738 -10.090 14.249 1.00 0.00 C ATOM 6 CG ARG A 1 -10.623 -11.234 13.253 1.00 0.00 C ATOM 7 CD ARG A 1 -10.570 -12.584 13.951 1.00 0.00 C ATOM 8 NE ARG A 1 -10.482 -13.688 13.002 1.00 0.00 N ATOM 9 CZ ARG A 1 -11.117 -14.821 13.140 1.00 0.00 C ATOM 10 NH1 ARG A 1 -11.898 -15.014 14.151 1.00 0.00 N ATOM 11 NH2 ARG A 1 -10.983 -15.755 12.256 1.00 0.00 N ATOM 0 H1 ARG A 1 -10.444 -9.195 16.743 1.00 0.00 H new ATOM 0 H2 ARG A 1 -8.837 -8.654 16.645 1.00 0.00 H new ATOM 0 H3 ARG A 1 -10.038 -7.926 15.691 1.00 0.00 H new ATOM 0 HA ARG A 1 -9.084 -10.724 15.484 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -11.532 -10.319 14.959 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -11.037 -9.187 13.717 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -11.473 -11.210 12.571 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -9.726 -11.101 12.648 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -9.710 -12.612 14.620 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -11.459 -12.707 14.569 1.00 0.00 H new ATOM 0 HE ARG A 1 -9.889 -13.568 12.181 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -12.022 -14.279 14.847 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -12.391 -15.901 14.253 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -10.379 -15.609 11.447 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -11.481 -16.638 12.368 1.00 0.00 H new ATOM 27 N ASN A 2 -7.424 -10.155 13.711 1.00 0.00 N ATOM 28 CA ASN A 2 -6.350 -9.787 12.790 1.00 0.00 C ATOM 29 C ASN A 2 -6.901 -9.515 11.384 1.00 0.00 C ATOM 30 O ASN A 2 -7.421 -10.414 10.723 1.00 0.00 O ATOM 31 CB ASN A 2 -5.298 -10.902 12.736 1.00 0.00 C ATOM 32 CG ASN A 2 -4.129 -10.564 11.829 1.00 0.00 C ATOM 33 OD1 ASN A 2 -4.138 -10.869 10.642 1.00 0.00 O ATOM 34 ND2 ASN A 2 -3.111 -9.940 12.381 1.00 0.00 N ATOM 0 H ASN A 2 -7.377 -11.116 14.049 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.884 -8.872 13.157 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.927 -11.094 13.743 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -5.768 -11.822 12.388 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.297 -9.695 11.818 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.136 -9.701 13.372 1.00 0.00 H new ATOM 41 N LEU A 3 -6.801 -8.267 10.941 1.00 0.00 N ATOM 42 CA LEU A 3 -7.283 -7.882 9.616 1.00 0.00 C ATOM 43 C LEU A 3 -6.433 -8.520 8.512 1.00 0.00 C ATOM 44 O LEU A 3 -5.204 -8.435 8.538 1.00 0.00 O ATOM 45 CB LEU A 3 -7.268 -6.356 9.471 1.00 0.00 C ATOM 46 CG LEU A 3 -7.762 -5.819 8.124 1.00 0.00 C ATOM 47 CD1 LEU A 3 -9.234 -6.141 7.924 1.00 0.00 C ATOM 48 CD2 LEU A 3 -7.530 -4.319 8.032 1.00 0.00 C ATOM 0 H LEU A 3 -6.391 -7.503 11.478 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.306 -8.243 9.511 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.883 -5.927 10.262 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.250 -6.003 9.632 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.194 -6.307 7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.564 -5.751 6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.376 -7.221 7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.818 -5.682 8.721 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.887 -3.954 7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.072 -3.817 8.834 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.465 -4.109 8.128 1.00 0.00 H new ATOM 60 N SER A 4 -7.094 -9.165 7.553 1.00 0.00 N ATOM 61 CA SER A 4 -6.405 -9.821 6.433 1.00 0.00 C ATOM 62 C SER A 4 -5.455 -8.862 5.702 1.00 0.00 C ATOM 63 O SER A 4 -5.816 -7.723 5.405 1.00 0.00 O ATOM 64 CB SER A 4 -7.424 -10.381 5.432 1.00 0.00 C ATOM 65 OG SER A 4 -8.214 -11.414 6.006 1.00 0.00 O ATOM 0 H SER A 4 -8.110 -9.250 7.525 1.00 0.00 H new ATOM 0 HA SER A 4 -5.813 -10.634 6.855 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.073 -9.577 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.900 -10.767 4.558 1.00 0.00 H new ATOM 0 HG SER A 4 -8.853 -11.745 5.341 1.00 0.00 H new ATOM 71 N ASP A 5 -4.246 -9.338 5.400 1.00 0.00 N ATOM 72 CA ASP A 5 -3.242 -8.524 4.702 1.00 0.00 C ATOM 73 C ASP A 5 -3.770 -8.013 3.352 1.00 0.00 C ATOM 74 O ASP A 5 -3.511 -6.870 2.965 1.00 0.00 O ATOM 75 CB ASP A 5 -1.959 -9.329 4.496 1.00 0.00 C ATOM 76 CG ASP A 5 -1.257 -9.631 5.802 1.00 0.00 C ATOM 77 OD1 ASP A 5 -0.942 -8.684 6.553 1.00 0.00 O ATOM 78 OD2 ASP A 5 -1.015 -10.822 6.089 1.00 0.00 O ATOM 0 H ASP A 5 -3.936 -10.283 5.627 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.025 -7.657 5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.196 -10.264 3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.285 -8.774 3.843 1.00 0.00 H new ATOM 83 N ARG A 6 -4.509 -8.865 2.640 1.00 0.00 N ATOM 84 CA ARG A 6 -5.097 -8.486 1.353 1.00 0.00 C ATOM 85 C ARG A 6 -6.073 -7.318 1.536 1.00 0.00 C ATOM 86 O ARG A 6 -6.078 -6.362 0.757 1.00 0.00 O ATOM 87 CB ARG A 6 -5.828 -9.677 0.733 1.00 0.00 C ATOM 88 CG ARG A 6 -5.716 -9.740 -0.781 1.00 0.00 C ATOM 89 CD ARG A 6 -4.442 -10.447 -1.212 1.00 0.00 C ATOM 90 NE ARG A 6 -4.478 -11.871 -0.900 1.00 0.00 N ATOM 91 CZ ARG A 6 -3.745 -12.772 -1.493 1.00 0.00 C ATOM 92 NH1 ARG A 6 -2.916 -12.438 -2.431 1.00 0.00 N ATOM 93 NH2 ARG A 6 -3.857 -14.013 -1.148 1.00 0.00 N ATOM 0 H ARG A 6 -4.715 -9.821 2.931 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.293 -8.175 0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.428 -10.598 1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.881 -9.630 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.581 -10.263 -1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.730 -8.730 -1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.298 -10.314 -2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.587 -9.988 -0.716 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.119 -12.183 -0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.831 -11.461 -2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.348 -13.152 -2.887 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.515 -14.282 -0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.287 -14.723 -1.607 1.00 0.00 H new ATOM 107 N ALA A 7 -6.892 -7.403 2.582 1.00 0.00 N ATOM 108 CA ALA A 7 -7.857 -6.354 2.896 1.00 0.00 C ATOM 109 C ALA A 7 -7.143 -5.075 3.333 1.00 0.00 C ATOM 110 O ALA A 7 -7.591 -3.978 3.032 1.00 0.00 O ATOM 111 CB ALA A 7 -8.815 -6.824 3.978 1.00 0.00 C ATOM 0 H ALA A 7 -6.906 -8.192 3.229 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.430 -6.134 1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.529 -6.031 4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.351 -7.707 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.253 -7.071 4.879 1.00 0.00 H new ATOM 117 N LYS A 8 -6.026 -5.226 4.046 1.00 0.00 N ATOM 118 CA LYS A 8 -5.228 -4.079 4.493 1.00 0.00 C ATOM 119 C LYS A 8 -4.806 -3.227 3.294 1.00 0.00 C ATOM 120 O LYS A 8 -4.940 -2.003 3.299 1.00 0.00 O ATOM 121 CB LYS A 8 -3.980 -4.559 5.232 1.00 0.00 C ATOM 122 CG LYS A 8 -4.119 -4.587 6.741 1.00 0.00 C ATOM 123 CD LYS A 8 -2.790 -4.916 7.393 1.00 0.00 C ATOM 124 CE LYS A 8 -2.818 -4.675 8.890 1.00 0.00 C ATOM 125 NZ LYS A 8 -1.458 -4.760 9.480 1.00 0.00 N ATOM 0 H LYS A 8 -5.651 -6.132 4.328 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.839 -3.478 5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.729 -5.561 4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.144 -3.911 4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.475 -3.620 7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.865 -5.328 7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.538 -5.959 7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.005 -4.309 6.942 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.243 -3.692 9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.469 -5.409 9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.521 -5.144 10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.865 -5.385 8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.034 -3.811 9.512 1.00 0.00 H new ATOM 139 N PHE A 9 -4.292 -3.899 2.269 1.00 0.00 N ATOM 140 CA PHE A 9 -3.868 -3.249 1.031 1.00 0.00 C ATOM 141 C PHE A 9 -5.044 -2.531 0.376 1.00 0.00 C ATOM 142 O PHE A 9 -4.976 -1.346 0.057 1.00 0.00 O ATOM 143 CB PHE A 9 -3.331 -4.311 0.082 1.00 0.00 C ATOM 144 CG PHE A 9 -2.543 -3.770 -1.081 1.00 0.00 C ATOM 145 CD1 PHE A 9 -3.184 -3.377 -2.245 1.00 0.00 C ATOM 146 CD2 PHE A 9 -1.165 -3.662 -1.010 1.00 0.00 C ATOM 147 CE1 PHE A 9 -2.464 -2.883 -3.316 1.00 0.00 C ATOM 148 CE2 PHE A 9 -0.440 -3.170 -2.079 1.00 0.00 C ATOM 149 CZ PHE A 9 -1.091 -2.780 -3.233 1.00 0.00 C ATOM 0 H PHE A 9 -4.157 -4.910 2.272 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.094 -2.515 1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.698 -4.997 0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.168 -4.893 -0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.259 -3.458 -2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.651 -3.965 -0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.976 -2.578 -4.217 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.635 -3.091 -2.012 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.526 -2.395 -4.069 1.00 0.00 H new ATOM 159 N GLU A 10 -6.125 -3.277 0.195 1.00 0.00 N ATOM 160 CA GLU A 10 -7.354 -2.762 -0.400 1.00 0.00 C ATOM 161 C GLU A 10 -7.935 -1.612 0.438 1.00 0.00 C ATOM 162 O GLU A 10 -8.598 -0.710 -0.078 1.00 0.00 O ATOM 163 CB GLU A 10 -8.357 -3.916 -0.501 1.00 0.00 C ATOM 164 CG GLU A 10 -9.784 -3.497 -0.802 1.00 0.00 C ATOM 165 CD GLU A 10 -10.729 -4.676 -0.840 1.00 0.00 C ATOM 166 OE1 GLU A 10 -10.719 -5.417 -1.845 1.00 0.00 O ATOM 167 OE2 GLU A 10 -11.482 -4.876 0.139 1.00 0.00 O ATOM 0 H GLU A 10 -6.176 -4.261 0.457 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.141 -2.362 -1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.023 -4.601 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.347 -4.470 0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.120 -2.788 -0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.814 -2.978 -1.760 1.00 0.00 H new ATOM 174 N SER A 11 -7.646 -1.645 1.732 1.00 0.00 N ATOM 175 CA SER A 11 -8.141 -0.629 2.668 1.00 0.00 C ATOM 176 C SER A 11 -7.323 0.650 2.549 1.00 0.00 C ATOM 177 O SER A 11 -7.860 1.753 2.485 1.00 0.00 O ATOM 178 CB SER A 11 -8.091 -1.149 4.109 1.00 0.00 C ATOM 179 OG SER A 11 -8.740 -0.262 5.006 1.00 0.00 O ATOM 0 H SER A 11 -7.069 -2.366 2.165 1.00 0.00 H new ATOM 0 HA SER A 11 -9.178 -0.410 2.412 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.564 -2.130 4.159 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.053 -1.280 4.413 1.00 0.00 H new ATOM 0 HG SER A 11 -8.692 -0.623 5.916 1.00 0.00 H new ATOM 185 N MET A 12 -6.012 0.483 2.517 1.00 0.00 N ATOM 186 CA MET A 12 -5.086 1.599 2.388 1.00 0.00 C ATOM 187 C MET A 12 -5.186 2.236 1.007 1.00 0.00 C ATOM 188 O MET A 12 -5.125 3.452 0.859 1.00 0.00 O ATOM 189 CB MET A 12 -3.668 1.098 2.588 1.00 0.00 C ATOM 190 CG MET A 12 -2.826 1.978 3.494 1.00 0.00 C ATOM 191 SD MET A 12 -3.456 2.041 5.182 1.00 0.00 S ATOM 192 CE MET A 12 -3.314 0.319 5.661 1.00 0.00 C ATOM 0 H MET A 12 -5.558 -0.428 2.580 1.00 0.00 H new ATOM 0 HA MET A 12 -5.342 2.344 3.141 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.704 0.092 3.007 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.180 1.022 1.616 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.802 1.605 3.506 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.793 2.988 3.085 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.300 0.244 6.748 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.164 -0.239 5.269 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.391 -0.096 5.257 1.00 0.00 H new ATOM 202 N ILE A 13 -5.338 1.390 -0.002 1.00 0.00 N ATOM 203 CA ILE A 13 -5.425 1.841 -1.380 1.00 0.00 C ATOM 204 C ILE A 13 -6.755 2.570 -1.676 1.00 0.00 C ATOM 205 O ILE A 13 -6.900 3.228 -2.711 1.00 0.00 O ATOM 206 CB ILE A 13 -5.224 0.643 -2.352 1.00 0.00 C ATOM 207 CG1 ILE A 13 -4.136 0.969 -3.376 1.00 0.00 C ATOM 208 CG2 ILE A 13 -6.518 0.239 -3.050 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.753 1.059 -2.769 1.00 0.00 C ATOM 0 H ILE A 13 -5.404 0.379 0.112 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.626 2.565 -1.537 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.907 -0.211 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.136 0.204 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.375 1.915 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.325 -0.601 -3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.258 -0.053 -2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.898 1.081 -3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.028 1.293 -3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.738 1.844 -2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.495 0.106 -2.308 1.00 0.00 H new ATOM 221 N ASN A 14 -7.706 2.460 -0.744 1.00 0.00 N ATOM 222 CA ASN A 14 -9.030 3.080 -0.882 1.00 0.00 C ATOM 223 C ASN A 14 -8.963 4.582 -1.212 1.00 0.00 C ATOM 224 O ASN A 14 -9.348 4.997 -2.305 1.00 0.00 O ATOM 225 CB ASN A 14 -9.835 2.864 0.400 1.00 0.00 C ATOM 226 CG ASN A 14 -11.237 3.428 0.313 1.00 0.00 C ATOM 227 OD1 ASN A 14 -11.861 3.419 -0.739 1.00 0.00 O ATOM 228 ND2 ASN A 14 -11.739 3.931 1.420 1.00 0.00 N ATOM 0 H ASN A 14 -7.582 1.941 0.125 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.522 2.596 -1.726 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.890 1.797 0.614 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.312 3.330 1.235 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -12.678 4.330 1.419 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -11.190 3.922 2.279 1.00 0.00 H new ATOM 235 N SER A 15 -8.490 5.400 -0.273 1.00 0.00 N ATOM 236 CA SER A 15 -8.401 6.848 -0.512 1.00 0.00 C ATOM 237 C SER A 15 -7.434 7.543 0.456 1.00 0.00 C ATOM 238 O SER A 15 -7.859 8.237 1.382 1.00 0.00 O ATOM 239 CB SER A 15 -9.785 7.498 -0.402 1.00 0.00 C ATOM 240 OG SER A 15 -9.820 8.755 -1.063 1.00 0.00 O ATOM 0 H SER A 15 -8.167 5.097 0.646 1.00 0.00 H new ATOM 0 HA SER A 15 -8.012 6.974 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.535 6.836 -0.835 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.045 7.630 0.648 1.00 0.00 H new ATOM 0 HG SER A 15 -10.715 9.145 -0.977 1.00 0.00 H new ATOM 246 N PRO A 16 -6.119 7.352 0.271 1.00 0.00 N ATOM 247 CA PRO A 16 -5.105 7.978 1.113 1.00 0.00 C ATOM 248 C PRO A 16 -4.587 9.309 0.542 1.00 0.00 C ATOM 249 O PRO A 16 -4.580 9.515 -0.671 1.00 0.00 O ATOM 250 CB PRO A 16 -3.998 6.928 1.098 1.00 0.00 C ATOM 251 CG PRO A 16 -4.080 6.310 -0.265 1.00 0.00 C ATOM 252 CD PRO A 16 -5.504 6.485 -0.749 1.00 0.00 C ATOM 0 HA PRO A 16 -5.484 8.238 2.101 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.021 7.380 1.270 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.147 6.184 1.880 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.379 6.790 -0.948 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.814 5.254 -0.226 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.537 6.944 -1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.021 5.528 -0.825 1.00 0.00 H new ATOM 260 N SER A 17 -4.169 10.217 1.419 1.00 0.00 N ATOM 261 CA SER A 17 -3.630 11.512 0.984 1.00 0.00 C ATOM 262 C SER A 17 -2.183 11.358 0.511 1.00 0.00 C ATOM 263 O SER A 17 -1.621 10.279 0.610 1.00 0.00 O ATOM 264 CB SER A 17 -3.690 12.530 2.128 1.00 0.00 C ATOM 265 OG SER A 17 -4.537 13.619 1.805 1.00 0.00 O ATOM 0 H SER A 17 -4.191 10.086 2.430 1.00 0.00 H new ATOM 0 HA SER A 17 -4.240 11.872 0.155 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.051 12.042 3.033 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.687 12.898 2.343 1.00 0.00 H new ATOM 0 HG SER A 17 -4.557 14.251 2.554 1.00 0.00 H new ATOM 271 N LYS A 18 -1.573 12.427 0.007 1.00 0.00 N ATOM 272 CA LYS A 18 -0.183 12.351 -0.462 1.00 0.00 C ATOM 273 C LYS A 18 0.773 12.026 0.697 1.00 0.00 C ATOM 274 O LYS A 18 1.443 10.990 0.693 1.00 0.00 O ATOM 275 CB LYS A 18 0.234 13.657 -1.139 1.00 0.00 C ATOM 276 CG LYS A 18 1.515 13.539 -1.950 1.00 0.00 C ATOM 277 CD LYS A 18 1.994 14.896 -2.433 1.00 0.00 C ATOM 278 CE LYS A 18 3.307 14.790 -3.188 1.00 0.00 C ATOM 279 NZ LYS A 18 3.102 14.657 -4.654 1.00 0.00 N ATOM 0 H LYS A 18 -2.007 13.345 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.123 11.545 -1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.571 13.991 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.365 14.426 -0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.291 13.074 -1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.346 12.886 -2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.237 15.341 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.117 15.564 -1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.913 15.673 -2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.867 13.929 -2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.855 15.169 -5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.130 13.652 -4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.178 15.058 -4.913 1.00 0.00 H new ATOM 293 N SER A 19 0.828 12.916 1.687 1.00 0.00 N ATOM 294 CA SER A 19 1.679 12.707 2.868 1.00 0.00 C ATOM 295 C SER A 19 1.297 11.410 3.586 1.00 0.00 C ATOM 296 O SER A 19 2.161 10.635 4.022 1.00 0.00 O ATOM 297 CB SER A 19 1.547 13.887 3.835 1.00 0.00 C ATOM 298 OG SER A 19 0.187 14.113 4.182 1.00 0.00 O ATOM 0 H SER A 19 0.297 13.787 1.699 1.00 0.00 H new ATOM 0 HA SER A 19 2.713 12.633 2.532 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.128 13.690 4.736 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.963 14.785 3.378 1.00 0.00 H new ATOM 0 HG SER A 19 0.129 14.870 4.801 1.00 0.00 H new ATOM 304 N VAL A 20 -0.009 11.175 3.700 1.00 0.00 N ATOM 305 CA VAL A 20 -0.525 9.962 4.328 1.00 0.00 C ATOM 306 C VAL A 20 -0.069 8.724 3.551 1.00 0.00 C ATOM 307 O VAL A 20 0.310 7.712 4.140 1.00 0.00 O ATOM 308 CB VAL A 20 -2.064 9.979 4.414 1.00 0.00 C ATOM 309 CG1 VAL A 20 -2.583 8.712 5.079 1.00 0.00 C ATOM 310 CG2 VAL A 20 -2.540 11.212 5.164 1.00 0.00 C ATOM 0 H VAL A 20 -0.731 11.812 3.364 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.126 9.924 5.342 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.463 10.016 3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.671 8.747 5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.274 7.843 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.176 8.638 6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.629 11.209 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.129 11.205 6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.204 12.108 4.642 1.00 0.00 H new ATOM 320 N PHE A 21 -0.097 8.825 2.222 1.00 0.00 N ATOM 321 CA PHE A 21 0.331 7.737 1.352 1.00 0.00 C ATOM 322 C PHE A 21 1.736 7.266 1.700 1.00 0.00 C ATOM 323 O PHE A 21 1.954 6.090 1.893 1.00 0.00 O ATOM 324 CB PHE A 21 0.315 8.170 -0.112 1.00 0.00 C ATOM 325 CG PHE A 21 0.749 7.084 -1.050 1.00 0.00 C ATOM 326 CD1 PHE A 21 -0.056 5.980 -1.271 1.00 0.00 C ATOM 327 CD2 PHE A 21 1.969 7.164 -1.699 1.00 0.00 C ATOM 328 CE1 PHE A 21 0.347 4.975 -2.124 1.00 0.00 C ATOM 329 CE2 PHE A 21 2.376 6.162 -2.554 1.00 0.00 C ATOM 330 CZ PHE A 21 1.564 5.066 -2.767 1.00 0.00 C ATOM 0 H PHE A 21 -0.415 9.657 1.725 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.372 6.918 1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.692 8.492 -0.379 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.969 9.033 -0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.010 5.905 -0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.608 8.019 -1.534 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.289 4.118 -2.289 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.329 6.234 -3.057 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.881 4.280 -3.437 1.00 0.00 H new ATOM 340 N VAL A 22 2.680 8.197 1.787 1.00 0.00 N ATOM 341 CA VAL A 22 4.071 7.842 2.097 1.00 0.00 C ATOM 342 C VAL A 22 4.219 7.154 3.467 1.00 0.00 C ATOM 343 O VAL A 22 4.755 6.036 3.563 1.00 0.00 O ATOM 344 CB VAL A 22 5.014 9.065 2.048 1.00 0.00 C ATOM 345 CG1 VAL A 22 6.305 8.691 1.351 1.00 0.00 C ATOM 346 CG2 VAL A 22 4.365 10.251 1.350 1.00 0.00 C ATOM 0 H VAL A 22 2.516 9.194 1.650 1.00 0.00 H new ATOM 0 HA VAL A 22 4.361 7.136 1.319 1.00 0.00 H new ATOM 0 HB VAL A 22 5.227 9.365 3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.966 9.557 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.792 7.883 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.088 8.363 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.060 11.090 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.109 9.975 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.460 10.538 1.886 1.00 0.00 H new ATOM 356 N ARG A 23 3.736 7.805 4.527 1.00 0.00 N ATOM 357 CA ARG A 23 3.837 7.230 5.872 1.00 0.00 C ATOM 358 C ARG A 23 3.147 5.856 5.955 1.00 0.00 C ATOM 359 O ARG A 23 3.627 4.953 6.637 1.00 0.00 O ATOM 360 CB ARG A 23 3.288 8.192 6.934 1.00 0.00 C ATOM 361 CG ARG A 23 1.788 8.432 6.864 1.00 0.00 C ATOM 362 CD ARG A 23 1.277 9.074 8.145 1.00 0.00 C ATOM 363 NE ARG A 23 1.689 8.325 9.329 1.00 0.00 N ATOM 364 CZ ARG A 23 2.184 8.871 10.408 1.00 0.00 C ATOM 365 NH1 ARG A 23 2.350 10.154 10.487 1.00 0.00 N ATOM 366 NH2 ARG A 23 2.534 8.130 11.408 1.00 0.00 N ATOM 0 H ARG A 23 3.278 8.715 4.484 1.00 0.00 H new ATOM 0 HA ARG A 23 4.896 7.077 6.079 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.533 7.799 7.921 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.800 9.149 6.836 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.559 9.075 6.014 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.272 7.486 6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.650 10.096 8.213 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.189 9.133 8.113 1.00 0.00 H new ATOM 0 HE ARG A 23 1.584 7.311 9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.093 10.751 9.701 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.737 10.567 11.335 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.424 7.117 11.355 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.920 8.558 12.249 1.00 0.00 H new ATOM 380 N ASN A 24 2.032 5.692 5.244 1.00 0.00 N ATOM 381 CA ASN A 24 1.321 4.412 5.227 1.00 0.00 C ATOM 382 C ASN A 24 1.980 3.444 4.234 1.00 0.00 C ATOM 383 O ASN A 24 1.879 2.228 4.374 1.00 0.00 O ATOM 384 CB ASN A 24 -0.149 4.613 4.858 1.00 0.00 C ATOM 385 CG ASN A 24 -0.965 5.183 6.000 1.00 0.00 C ATOM 386 OD1 ASN A 24 -0.463 5.926 6.838 1.00 0.00 O ATOM 387 ND2 ASN A 24 -2.234 4.833 6.049 1.00 0.00 N ATOM 0 H ASN A 24 1.603 6.423 4.676 1.00 0.00 H new ATOM 0 HA ASN A 24 1.374 3.984 6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.216 5.282 4.000 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.577 3.658 4.552 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.831 5.181 6.799 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.620 4.214 5.336 1.00 0.00 H new ATOM 394 N LEU A 25 2.644 4.010 3.223 1.00 0.00 N ATOM 395 CA LEU A 25 3.346 3.239 2.196 1.00 0.00 C ATOM 396 C LEU A 25 4.361 2.292 2.816 1.00 0.00 C ATOM 397 O LEU A 25 4.622 1.231 2.275 1.00 0.00 O ATOM 398 CB LEU A 25 4.047 4.170 1.202 1.00 0.00 C ATOM 399 CG LEU A 25 4.556 3.501 -0.074 1.00 0.00 C ATOM 400 CD1 LEU A 25 3.406 2.867 -0.834 1.00 0.00 C ATOM 401 CD2 LEU A 25 5.282 4.511 -0.948 1.00 0.00 C ATOM 0 H LEU A 25 2.710 5.020 3.094 1.00 0.00 H new ATOM 0 HA LEU A 25 2.600 2.648 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.355 4.965 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.890 4.643 1.705 1.00 0.00 H new ATOM 0 HG LEU A 25 5.260 2.716 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.785 2.395 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.926 2.116 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.680 3.634 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.639 4.019 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.599 5.316 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.130 4.923 -0.401 1.00 0.00 H new ATOM 413 N ASN A 26 4.972 2.700 3.924 1.00 0.00 N ATOM 414 CA ASN A 26 5.923 1.823 4.624 1.00 0.00 C ATOM 415 C ASN A 26 5.293 0.436 4.870 1.00 0.00 C ATOM 416 O ASN A 26 5.817 -0.599 4.433 1.00 0.00 O ATOM 417 CB ASN A 26 6.348 2.444 5.955 1.00 0.00 C ATOM 418 CG ASN A 26 7.060 3.767 5.770 1.00 0.00 C ATOM 419 OD1 ASN A 26 8.239 3.810 5.435 1.00 0.00 O ATOM 420 ND2 ASN A 26 6.357 4.855 6.004 1.00 0.00 N ATOM 0 H ASN A 26 4.834 3.614 4.356 1.00 0.00 H new ATOM 0 HA ASN A 26 6.805 1.705 3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.469 2.592 6.582 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.004 1.752 6.484 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.791 5.773 5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.378 4.780 6.281 1.00 0.00 H new ATOM 427 N GLU A 27 4.138 0.425 5.535 1.00 0.00 N ATOM 428 CA GLU A 27 3.430 -0.821 5.810 1.00 0.00 C ATOM 429 C GLU A 27 2.790 -1.347 4.522 1.00 0.00 C ATOM 430 O GLU A 27 2.760 -2.547 4.278 1.00 0.00 O ATOM 431 CB GLU A 27 2.359 -0.607 6.884 1.00 0.00 C ATOM 432 CG GLU A 27 1.745 -1.901 7.396 1.00 0.00 C ATOM 433 CD GLU A 27 0.730 -1.681 8.503 1.00 0.00 C ATOM 434 OE1 GLU A 27 0.805 -0.641 9.194 1.00 0.00 O ATOM 435 OE2 GLU A 27 -0.142 -2.553 8.695 1.00 0.00 O ATOM 0 H GLU A 27 3.676 1.262 5.891 1.00 0.00 H new ATOM 0 HA GLU A 27 4.144 -1.556 6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.799 -0.067 7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.569 0.024 6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.263 -2.420 6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.538 -2.552 7.763 1.00 0.00 H new ATOM 442 N LEU A 28 2.299 -0.423 3.699 1.00 0.00 N ATOM 443 CA LEU A 28 1.675 -0.763 2.418 1.00 0.00 C ATOM 444 C LEU A 28 2.635 -1.575 1.533 1.00 0.00 C ATOM 445 O LEU A 28 2.251 -2.576 0.926 1.00 0.00 O ATOM 446 CB LEU A 28 1.258 0.522 1.692 1.00 0.00 C ATOM 447 CG LEU A 28 -0.234 0.654 1.380 1.00 0.00 C ATOM 448 CD1 LEU A 28 -0.496 1.924 0.585 1.00 0.00 C ATOM 449 CD2 LEU A 28 -0.739 -0.563 0.620 1.00 0.00 C ATOM 0 H LEU A 28 2.321 0.577 3.898 1.00 0.00 H new ATOM 0 HA LEU A 28 0.795 -1.375 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.560 1.375 2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.813 0.585 0.756 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.777 0.713 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.561 2.005 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.176 2.789 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.061 1.889 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.802 -0.445 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.192 -0.659 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.585 -1.458 1.223 1.00 0.00 H new ATOM 461 N GLU A 29 3.884 -1.128 1.472 1.00 0.00 N ATOM 462 CA GLU A 29 4.921 -1.802 0.697 1.00 0.00 C ATOM 463 C GLU A 29 5.200 -3.187 1.284 1.00 0.00 C ATOM 464 O GLU A 29 5.339 -4.165 0.550 1.00 0.00 O ATOM 465 CB GLU A 29 6.202 -0.965 0.697 1.00 0.00 C ATOM 466 CG GLU A 29 7.138 -1.263 -0.462 1.00 0.00 C ATOM 467 CD GLU A 29 8.424 -0.467 -0.380 1.00 0.00 C ATOM 468 OE1 GLU A 29 8.359 0.780 -0.330 1.00 0.00 O ATOM 469 OE2 GLU A 29 9.509 -1.083 -0.351 1.00 0.00 O ATOM 0 H GLU A 29 4.207 -0.290 1.957 1.00 0.00 H new ATOM 0 HA GLU A 29 4.574 -1.918 -0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.933 0.091 0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.734 -1.135 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.372 -2.328 -0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.633 -1.038 -1.401 1.00 0.00 H new ATOM 476 N ALA A 30 5.259 -3.266 2.617 1.00 0.00 N ATOM 477 CA ALA A 30 5.492 -4.538 3.290 1.00 0.00 C ATOM 478 C ALA A 30 4.335 -5.493 3.000 1.00 0.00 C ATOM 479 O ALA A 30 4.533 -6.686 2.774 1.00 0.00 O ATOM 480 CB ALA A 30 5.652 -4.328 4.788 1.00 0.00 C ATOM 0 H ALA A 30 5.149 -2.468 3.243 1.00 0.00 H new ATOM 0 HA ALA A 30 6.415 -4.976 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.825 -5.288 5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.500 -3.669 4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.746 -3.876 5.191 1.00 0.00 H new ATOM 486 N LEU A 31 3.123 -4.944 2.992 1.00 0.00 N ATOM 487 CA LEU A 31 1.928 -5.725 2.701 1.00 0.00 C ATOM 488 C LEU A 31 1.982 -6.285 1.278 1.00 0.00 C ATOM 489 O LEU A 31 1.689 -7.459 1.049 1.00 0.00 O ATOM 490 CB LEU A 31 0.666 -4.875 2.876 1.00 0.00 C ATOM 491 CG LEU A 31 0.386 -4.411 4.304 1.00 0.00 C ATOM 492 CD1 LEU A 31 -0.729 -3.379 4.319 1.00 0.00 C ATOM 493 CD2 LEU A 31 0.032 -5.597 5.188 1.00 0.00 C ATOM 0 H LEU A 31 2.944 -3.958 3.185 1.00 0.00 H new ATOM 0 HA LEU A 31 1.892 -6.555 3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.747 -3.997 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.191 -5.449 2.523 1.00 0.00 H new ATOM 0 HG LEU A 31 1.288 -3.945 4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.915 -3.060 5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.436 -2.518 3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.637 -3.818 3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.165 -5.249 6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.857 -6.091 4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.863 -6.302 5.201 1.00 0.00 H new ATOM 505 N ALA A 32 2.362 -5.435 0.325 1.00 0.00 N ATOM 506 CA ALA A 32 2.479 -5.840 -1.076 1.00 0.00 C ATOM 507 C ALA A 32 3.468 -6.999 -1.232 1.00 0.00 C ATOM 508 O ALA A 32 3.203 -7.964 -1.949 1.00 0.00 O ATOM 509 CB ALA A 32 2.915 -4.659 -1.930 1.00 0.00 C ATOM 0 H ALA A 32 2.595 -4.457 0.498 1.00 0.00 H new ATOM 0 HA ALA A 32 1.500 -6.180 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.998 -4.973 -2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.177 -3.860 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.882 -4.296 -1.582 1.00 0.00 H new ATOM 515 N VAL A 33 4.608 -6.893 -0.552 1.00 0.00 N ATOM 516 CA VAL A 33 5.629 -7.939 -0.591 1.00 0.00 C ATOM 517 C VAL A 33 5.115 -9.231 0.064 1.00 0.00 C ATOM 518 O VAL A 33 5.314 -10.324 -0.465 1.00 0.00 O ATOM 519 CB VAL A 33 6.929 -7.487 0.112 1.00 0.00 C ATOM 520 CG1 VAL A 33 7.981 -8.586 0.072 1.00 0.00 C ATOM 521 CG2 VAL A 33 7.468 -6.215 -0.524 1.00 0.00 C ATOM 0 H VAL A 33 4.848 -6.093 0.033 1.00 0.00 H new ATOM 0 HA VAL A 33 5.850 -8.132 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 33 6.692 -7.280 1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.886 -8.242 0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.600 -9.473 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.212 -8.831 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.383 -5.913 -0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.682 -6.397 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.726 -5.422 -0.436 1.00 0.00 H new ATOM 531 N ARG A 34 4.446 -9.093 1.209 1.00 0.00 N ATOM 532 CA ARG A 34 3.890 -10.244 1.928 1.00 0.00 C ATOM 533 C ARG A 34 2.863 -11.000 1.075 1.00 0.00 C ATOM 534 O ARG A 34 2.835 -12.229 1.066 1.00 0.00 O ATOM 535 CB ARG A 34 3.226 -9.796 3.233 1.00 0.00 C ATOM 536 CG ARG A 34 4.207 -9.409 4.327 1.00 0.00 C ATOM 537 CD ARG A 34 3.482 -8.949 5.580 1.00 0.00 C ATOM 538 NE ARG A 34 4.405 -8.518 6.626 1.00 0.00 N ATOM 539 CZ ARG A 34 4.123 -7.601 7.511 1.00 0.00 C ATOM 540 NH1 ARG A 34 2.975 -6.997 7.490 1.00 0.00 N ATOM 541 NH2 ARG A 34 4.996 -7.288 8.414 1.00 0.00 N ATOM 0 H ARG A 34 4.275 -8.195 1.661 1.00 0.00 H new ATOM 0 HA ARG A 34 4.720 -10.914 2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.577 -8.946 3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.589 -10.601 3.599 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.844 -10.261 4.565 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.859 -8.613 3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.812 -8.127 5.328 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.862 -9.762 5.958 1.00 0.00 H new ATOM 0 HE ARG A 34 5.324 -8.959 6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.285 -7.238 6.778 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.762 -6.282 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.901 -7.758 8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.779 -6.572 9.107 1.00 0.00 H new ATOM 555 N LEU A 35 2.015 -10.259 0.365 1.00 0.00 N ATOM 556 CA LEU A 35 0.997 -10.873 -0.490 1.00 0.00 C ATOM 557 C LEU A 35 1.631 -11.574 -1.699 1.00 0.00 C ATOM 558 O LEU A 35 1.233 -12.681 -2.065 1.00 0.00 O ATOM 559 CB LEU A 35 -0.014 -9.822 -0.956 1.00 0.00 C ATOM 560 CG LEU A 35 -0.768 -9.114 0.171 1.00 0.00 C ATOM 561 CD1 LEU A 35 -1.694 -8.046 -0.389 1.00 0.00 C ATOM 562 CD2 LEU A 35 -1.550 -10.120 1.001 1.00 0.00 C ATOM 0 H LEU A 35 2.011 -9.239 0.363 1.00 0.00 H new ATOM 0 HA LEU A 35 0.477 -11.627 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.509 -9.073 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.739 -10.302 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.039 -8.626 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.220 -7.555 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.109 -7.308 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.418 -8.508 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.081 -9.600 1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.268 -10.637 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.863 -10.846 1.436 1.00 0.00 H new ATOM 574 N GLY A 36 2.611 -10.927 -2.320 1.00 0.00 N ATOM 575 CA GLY A 36 3.281 -11.528 -3.465 1.00 0.00 C ATOM 576 C GLY A 36 4.024 -10.521 -4.333 1.00 0.00 C ATOM 577 O GLY A 36 4.694 -9.618 -3.830 1.00 0.00 O ATOM 0 H GLY A 36 2.954 -10.003 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.986 -12.279 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.543 -12.047 -4.076 1.00 0.00 H new ATOM 581 N LYS A 37 3.916 -10.685 -5.642 1.00 0.00 N ATOM 582 CA LYS A 37 4.575 -9.783 -6.585 1.00 0.00 C ATOM 583 C LYS A 37 3.549 -9.001 -7.414 1.00 0.00 C ATOM 584 O LYS A 37 3.794 -7.858 -7.803 1.00 0.00 O ATOM 585 CB LYS A 37 5.522 -10.562 -7.502 1.00 0.00 C ATOM 586 CG LYS A 37 4.899 -11.801 -8.129 1.00 0.00 C ATOM 587 CD LYS A 37 5.913 -12.576 -8.956 1.00 0.00 C ATOM 588 CE LYS A 37 7.064 -13.086 -8.101 1.00 0.00 C ATOM 589 NZ LYS A 37 6.637 -14.164 -7.167 1.00 0.00 N ATOM 0 H LYS A 37 3.379 -11.433 -6.080 1.00 0.00 H new ATOM 0 HA LYS A 37 5.159 -9.065 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.868 -9.900 -8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.401 -10.860 -6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.499 -12.445 -7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.060 -11.508 -8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.419 -13.418 -9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.303 -11.936 -9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.856 -13.462 -8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.484 -12.258 -7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.470 -14.550 -6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.975 -13.774 -6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.168 -14.922 -7.703 1.00 0.00 H new ATOM 603 N SER A 38 2.393 -9.616 -7.663 1.00 0.00 N ATOM 604 CA SER A 38 1.319 -8.973 -8.432 1.00 0.00 C ATOM 605 C SER A 38 0.837 -7.694 -7.742 1.00 0.00 C ATOM 606 O SER A 38 0.704 -6.642 -8.367 1.00 0.00 O ATOM 607 CB SER A 38 0.140 -9.938 -8.606 1.00 0.00 C ATOM 608 OG SER A 38 -0.359 -10.375 -7.349 1.00 0.00 O ATOM 0 H SER A 38 2.173 -10.560 -7.344 1.00 0.00 H new ATOM 0 HA SER A 38 1.720 -8.710 -9.411 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.656 -9.446 -9.165 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.456 -10.800 -9.194 1.00 0.00 H new ATOM 0 HG SER A 38 -1.111 -10.987 -7.491 1.00 0.00 H new ATOM 614 N TYR A 39 0.593 -7.793 -6.440 1.00 0.00 N ATOM 615 CA TYR A 39 0.138 -6.652 -5.645 1.00 0.00 C ATOM 616 C TYR A 39 1.216 -5.570 -5.537 1.00 0.00 C ATOM 617 O TYR A 39 0.913 -4.393 -5.345 1.00 0.00 O ATOM 618 CB TYR A 39 -0.284 -7.124 -4.257 1.00 0.00 C ATOM 619 CG TYR A 39 -1.716 -7.595 -4.214 1.00 0.00 C ATOM 620 CD1 TYR A 39 -2.069 -8.839 -4.716 1.00 0.00 C ATOM 621 CD2 TYR A 39 -2.716 -6.788 -3.688 1.00 0.00 C ATOM 622 CE1 TYR A 39 -3.379 -9.269 -4.692 1.00 0.00 C ATOM 623 CE2 TYR A 39 -4.029 -7.211 -3.664 1.00 0.00 C ATOM 624 CZ TYR A 39 -4.355 -8.452 -4.166 1.00 0.00 C ATOM 625 OH TYR A 39 -5.661 -8.878 -4.145 1.00 0.00 O ATOM 0 H TYR A 39 0.703 -8.656 -5.908 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.719 -6.208 -6.152 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.371 -7.935 -3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.152 -6.309 -3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.306 -9.481 -5.132 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.462 -5.816 -3.292 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.638 -10.241 -5.084 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -4.797 -6.573 -3.254 1.00 0.00 H new ATOM 0 HH TYR A 39 -6.225 -8.186 -3.741 1.00 0.00 H new ATOM 635 N ARG A 40 2.474 -5.967 -5.677 1.00 0.00 N ATOM 636 CA ARG A 40 3.580 -5.019 -5.609 1.00 0.00 C ATOM 637 C ARG A 40 3.540 -4.066 -6.806 1.00 0.00 C ATOM 638 O ARG A 40 3.894 -2.891 -6.693 1.00 0.00 O ATOM 639 CB ARG A 40 4.910 -5.760 -5.572 1.00 0.00 C ATOM 640 CG ARG A 40 5.907 -5.152 -4.604 1.00 0.00 C ATOM 641 CD ARG A 40 7.167 -5.990 -4.519 1.00 0.00 C ATOM 642 NE ARG A 40 6.890 -7.357 -4.091 1.00 0.00 N ATOM 643 CZ ARG A 40 7.814 -8.229 -3.801 1.00 0.00 C ATOM 644 NH1 ARG A 40 9.067 -7.904 -3.862 1.00 0.00 N ATOM 645 NH2 ARG A 40 7.479 -9.427 -3.448 1.00 0.00 N ATOM 0 H ARG A 40 2.754 -6.935 -5.838 1.00 0.00 H new ATOM 0 HA ARG A 40 3.479 -4.435 -4.694 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.732 -6.799 -5.295 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.343 -5.767 -6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.160 -4.141 -4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.455 -5.069 -3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.656 -6.008 -5.493 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.864 -5.526 -3.821 1.00 0.00 H new ATOM 0 HE ARG A 40 5.915 -7.647 -4.014 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.336 -6.960 -4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.784 -8.592 -3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.494 -9.687 -3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.200 -10.112 -3.220 1.00 0.00 H new ATOM 659 N ILE A 41 3.105 -4.582 -7.951 1.00 0.00 N ATOM 660 CA ILE A 41 2.983 -3.774 -9.165 1.00 0.00 C ATOM 661 C ILE A 41 1.925 -2.683 -8.960 1.00 0.00 C ATOM 662 O ILE A 41 2.117 -1.525 -9.340 1.00 0.00 O ATOM 663 CB ILE A 41 2.603 -4.647 -10.380 1.00 0.00 C ATOM 664 CG1 ILE A 41 3.602 -5.798 -10.544 1.00 0.00 C ATOM 665 CG2 ILE A 41 2.542 -3.808 -11.649 1.00 0.00 C ATOM 666 CD1 ILE A 41 5.039 -5.344 -10.707 1.00 0.00 C ATOM 0 H ILE A 41 2.830 -5.557 -8.066 1.00 0.00 H new ATOM 0 HA ILE A 41 3.950 -3.313 -9.365 1.00 0.00 H new ATOM 0 HB ILE A 41 1.614 -5.069 -10.203 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.534 -6.452 -9.675 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.318 -6.392 -11.413 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.273 -4.443 -12.493 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.794 -3.024 -11.531 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.516 -3.355 -11.833 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.685 -6.215 -10.817 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.123 -4.715 -11.593 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.343 -4.776 -9.828 1.00 0.00 H new ATOM 678 N GLN A 42 0.812 -3.063 -8.336 1.00 0.00 N ATOM 679 CA GLN A 42 -0.268 -2.123 -8.034 1.00 0.00 C ATOM 680 C GLN A 42 0.222 -1.080 -7.023 1.00 0.00 C ATOM 681 O GLN A 42 -0.142 0.095 -7.085 1.00 0.00 O ATOM 682 CB GLN A 42 -1.478 -2.873 -7.471 1.00 0.00 C ATOM 683 CG GLN A 42 -1.804 -4.150 -8.228 1.00 0.00 C ATOM 684 CD GLN A 42 -2.888 -4.977 -7.562 1.00 0.00 C ATOM 685 OE1 GLN A 42 -2.871 -6.201 -7.619 1.00 0.00 O ATOM 686 NE2 GLN A 42 -3.847 -4.318 -6.944 1.00 0.00 N ATOM 0 H GLN A 42 0.633 -4.019 -8.028 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.567 -1.617 -8.952 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.290 -3.117 -6.426 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.346 -2.215 -7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.120 -3.895 -9.240 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.900 -4.752 -8.319 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.829 -3.299 -6.916 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.607 -4.827 -6.493 1.00 0.00 H new ATOM 695 N LEU A 43 1.062 -1.532 -6.095 1.00 0.00 N ATOM 696 CA LEU A 43 1.648 -0.659 -5.080 1.00 0.00 C ATOM 697 C LEU A 43 2.508 0.416 -5.754 1.00 0.00 C ATOM 698 O LEU A 43 2.369 1.604 -5.473 1.00 0.00 O ATOM 699 CB LEU A 43 2.491 -1.498 -4.106 1.00 0.00 C ATOM 700 CG LEU A 43 2.825 -0.844 -2.759 1.00 0.00 C ATOM 701 CD1 LEU A 43 4.099 -0.020 -2.859 1.00 0.00 C ATOM 702 CD2 LEU A 43 1.665 0.013 -2.274 1.00 0.00 C ATOM 0 H LEU A 43 1.354 -2.507 -6.025 1.00 0.00 H new ATOM 0 HA LEU A 43 0.855 -0.164 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.962 -2.431 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.426 -1.759 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 43 2.991 -1.637 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.316 0.434 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.928 -0.665 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.968 0.763 -3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.923 0.467 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.461 0.796 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.779 -0.610 -2.152 1.00 0.00 H new ATOM 714 N ASP A 44 3.391 -0.017 -6.654 1.00 0.00 N ATOM 715 CA ASP A 44 4.254 0.895 -7.403 1.00 0.00 C ATOM 716 C ASP A 44 3.416 1.903 -8.209 1.00 0.00 C ATOM 717 O ASP A 44 3.766 3.081 -8.320 1.00 0.00 O ATOM 718 CB ASP A 44 5.168 0.099 -8.332 1.00 0.00 C ATOM 719 CG ASP A 44 6.346 0.916 -8.816 1.00 0.00 C ATOM 720 OD1 ASP A 44 6.184 1.699 -9.776 1.00 0.00 O ATOM 721 OD2 ASP A 44 7.441 0.789 -8.228 1.00 0.00 O ATOM 0 H ASP A 44 3.527 -1.002 -6.883 1.00 0.00 H new ATOM 0 HA ASP A 44 4.866 1.454 -6.696 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.532 -0.786 -7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.594 -0.251 -9.190 1.00 0.00 H new ATOM 726 N GLN A 45 2.304 1.430 -8.769 1.00 0.00 N ATOM 727 CA GLN A 45 1.399 2.292 -9.528 1.00 0.00 C ATOM 728 C GLN A 45 0.848 3.408 -8.628 1.00 0.00 C ATOM 729 O GLN A 45 0.753 4.568 -9.035 1.00 0.00 O ATOM 730 CB GLN A 45 0.248 1.469 -10.109 1.00 0.00 C ATOM 731 CG GLN A 45 -0.729 2.289 -10.936 1.00 0.00 C ATOM 732 CD GLN A 45 -2.077 1.616 -11.089 1.00 0.00 C ATOM 733 OE1 GLN A 45 -2.176 0.395 -11.168 1.00 0.00 O ATOM 734 NE2 GLN A 45 -3.126 2.407 -11.127 1.00 0.00 N ATOM 0 H GLN A 45 2.008 0.456 -8.712 1.00 0.00 H new ATOM 0 HA GLN A 45 1.956 2.745 -10.348 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.659 0.673 -10.731 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.293 0.989 -9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.866 3.264 -10.468 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.303 2.467 -11.923 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.005 3.418 -11.059 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.061 2.010 -11.225 1.00 0.00 H new ATOM 743 N ALA A 46 0.496 3.046 -7.396 1.00 0.00 N ATOM 744 CA ALA A 46 -0.016 4.010 -6.419 1.00 0.00 C ATOM 745 C ALA A 46 1.031 5.087 -6.104 1.00 0.00 C ATOM 746 O ALA A 46 0.695 6.259 -5.928 1.00 0.00 O ATOM 747 CB ALA A 46 -0.447 3.293 -5.149 1.00 0.00 C ATOM 0 H ALA A 46 0.556 2.089 -7.048 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.884 4.506 -6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.826 4.021 -4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.232 2.574 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.407 2.769 -4.719 1.00 0.00 H new ATOM 753 N LYS A 47 2.303 4.687 -6.027 1.00 0.00 N ATOM 754 CA LYS A 47 3.387 5.641 -5.764 1.00 0.00 C ATOM 755 C LYS A 47 3.451 6.694 -6.872 1.00 0.00 C ATOM 756 O LYS A 47 3.619 7.879 -6.606 1.00 0.00 O ATOM 757 CB LYS A 47 4.749 4.946 -5.665 1.00 0.00 C ATOM 758 CG LYS A 47 4.692 3.481 -5.273 1.00 0.00 C ATOM 759 CD LYS A 47 6.077 2.864 -5.261 1.00 0.00 C ATOM 760 CE LYS A 47 6.938 3.440 -4.155 1.00 0.00 C ATOM 761 NZ LYS A 47 8.374 3.111 -4.348 1.00 0.00 N ATOM 0 H LYS A 47 2.607 3.720 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 47 3.168 6.115 -4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.254 5.030 -6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.360 5.479 -4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.238 3.383 -4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.055 2.939 -5.972 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.993 1.785 -5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.559 3.034 -6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.814 4.522 -4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.602 3.053 -3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.846 3.062 -3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.458 2.193 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.824 3.848 -4.928 1.00 0.00 H new ATOM 775 N GLU A 48 3.296 6.252 -8.117 1.00 0.00 N ATOM 776 CA GLU A 48 3.331 7.157 -9.264 1.00 0.00 C ATOM 777 C GLU A 48 2.098 8.060 -9.270 1.00 0.00 C ATOM 778 O GLU A 48 2.156 9.213 -9.701 1.00 0.00 O ATOM 779 CB GLU A 48 3.396 6.362 -10.566 1.00 0.00 C ATOM 780 CG GLU A 48 4.594 5.435 -10.658 1.00 0.00 C ATOM 781 CD GLU A 48 4.554 4.565 -11.895 1.00 0.00 C ATOM 782 OE1 GLU A 48 3.496 3.962 -12.167 1.00 0.00 O ATOM 783 OE2 GLU A 48 5.577 4.477 -12.604 1.00 0.00 O ATOM 0 H GLU A 48 3.145 5.273 -8.358 1.00 0.00 H new ATOM 0 HA GLU A 48 4.223 7.778 -9.183 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.484 5.773 -10.667 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.421 7.058 -11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.509 6.027 -10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.629 4.801 -9.772 1.00 0.00 H new ATOM 790 N LYS A 49 0.985 7.521 -8.783 1.00 0.00 N ATOM 791 CA LYS A 49 -0.269 8.266 -8.698 1.00 0.00 C ATOM 792 C LYS A 49 -0.101 9.527 -7.838 1.00 0.00 C ATOM 793 O LYS A 49 -0.606 10.601 -8.171 1.00 0.00 O ATOM 794 CB LYS A 49 -1.368 7.373 -8.111 1.00 0.00 C ATOM 795 CG LYS A 49 -2.651 8.115 -7.767 1.00 0.00 C ATOM 796 CD LYS A 49 -3.351 7.483 -6.574 1.00 0.00 C ATOM 797 CE LYS A 49 -4.614 8.238 -6.199 1.00 0.00 C ATOM 798 NZ LYS A 49 -5.611 8.236 -7.301 1.00 0.00 N ATOM 0 H LYS A 49 0.925 6.563 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.554 8.574 -9.704 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.598 6.582 -8.824 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.987 6.890 -7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.423 9.158 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.319 8.110 -8.628 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.601 6.448 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.672 7.464 -5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.055 7.788 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.359 9.266 -5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.521 8.594 -6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.276 8.846 -8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.735 7.266 -7.655 1.00 0.00 H new ATOM 812 N TRP A 50 0.616 9.383 -6.730 1.00 0.00 N ATOM 813 CA TRP A 50 0.874 10.499 -5.823 1.00 0.00 C ATOM 814 C TRP A 50 2.242 11.140 -6.094 1.00 0.00 C ATOM 815 O TRP A 50 2.673 12.035 -5.365 1.00 0.00 O ATOM 816 CB TRP A 50 0.813 10.015 -4.376 1.00 0.00 C ATOM 817 CG TRP A 50 -0.567 9.991 -3.811 1.00 0.00 C ATOM 818 CD1 TRP A 50 -1.201 8.923 -3.250 1.00 0.00 C ATOM 819 CD2 TRP A 50 -1.486 11.086 -3.750 1.00 0.00 C ATOM 820 NE1 TRP A 50 -2.449 9.293 -2.822 1.00 0.00 N ATOM 821 CE2 TRP A 50 -2.652 10.614 -3.125 1.00 0.00 C ATOM 822 CE3 TRP A 50 -1.434 12.421 -4.157 1.00 0.00 C ATOM 823 CZ2 TRP A 50 -3.758 11.429 -2.901 1.00 0.00 C ATOM 824 CZ3 TRP A 50 -2.532 13.228 -3.935 1.00 0.00 C ATOM 825 CH2 TRP A 50 -3.681 12.730 -3.310 1.00 0.00 C ATOM 0 H TRP A 50 1.032 8.500 -6.435 1.00 0.00 H new ATOM 0 HA TRP A 50 0.106 11.254 -5.994 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.237 9.013 -4.319 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.438 10.661 -3.759 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -0.782 7.932 -3.157 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.119 8.683 -2.353 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.550 12.815 -4.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -4.646 11.046 -2.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.504 14.261 -4.249 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -4.523 13.387 -3.148 1.00 0.00 H new ATOM 836 N LYS A 51 2.910 10.671 -7.149 1.00 0.00 N ATOM 837 CA LYS A 51 4.236 11.168 -7.538 1.00 0.00 C ATOM 838 C LYS A 51 5.267 11.007 -6.411 1.00 0.00 C ATOM 839 O LYS A 51 6.091 11.887 -6.167 1.00 0.00 O ATOM 840 CB LYS A 51 4.157 12.626 -7.999 1.00 0.00 C ATOM 841 CG LYS A 51 3.942 12.776 -9.499 1.00 0.00 C ATOM 842 CD LYS A 51 5.139 12.264 -10.292 1.00 0.00 C ATOM 843 CE LYS A 51 4.881 10.884 -10.884 1.00 0.00 C ATOM 844 NZ LYS A 51 3.994 10.943 -12.074 1.00 0.00 N ATOM 0 H LYS A 51 2.550 9.937 -7.759 1.00 0.00 H new ATOM 0 HA LYS A 51 4.576 10.558 -8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.342 13.122 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.077 13.138 -7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.047 12.228 -9.795 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.768 13.825 -9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.370 12.965 -11.094 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.014 12.223 -9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.830 10.426 -11.162 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.429 10.244 -10.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.845 9.983 -12.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.078 11.356 -11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.436 11.532 -12.808 1.00 0.00 H new ATOM 858 N VAL A 52 5.216 9.865 -5.743 1.00 0.00 N ATOM 859 CA VAL A 52 6.140 9.555 -4.656 1.00 0.00 C ATOM 860 C VAL A 52 7.165 8.505 -5.108 1.00 0.00 C ATOM 861 O VAL A 52 6.821 7.570 -5.835 1.00 0.00 O ATOM 862 CB VAL A 52 5.385 9.033 -3.411 1.00 0.00 C ATOM 863 CG1 VAL A 52 6.348 8.744 -2.269 1.00 0.00 C ATOM 864 CG2 VAL A 52 4.324 10.030 -2.970 1.00 0.00 C ATOM 0 H VAL A 52 4.537 9.128 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 52 6.657 10.477 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 52 4.893 8.100 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.791 8.378 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.068 7.988 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.876 9.658 -1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.804 9.644 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.798 10.980 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.609 10.181 -3.778 1.00 0.00 H new ATOM 874 N LYS A 53 8.419 8.677 -4.694 1.00 0.00 N ATOM 875 CA LYS A 53 9.496 7.743 -5.059 1.00 0.00 C ATOM 876 C LYS A 53 9.202 6.294 -4.626 1.00 0.00 C ATOM 877 O LYS A 53 8.834 6.072 -3.452 1.00 0.00 O ATOM 878 CB LYS A 53 10.837 8.211 -4.475 1.00 0.00 C ATOM 879 CG LYS A 53 10.751 8.792 -3.067 1.00 0.00 C ATOM 880 CD LYS A 53 10.973 7.736 -1.993 1.00 0.00 C ATOM 881 CE LYS A 53 12.274 6.978 -2.207 1.00 0.00 C ATOM 882 NZ LYS A 53 12.495 5.946 -1.161 1.00 0.00 N ATOM 883 OXT LYS A 53 9.356 5.380 -5.470 1.00 0.00 O ATOM 0 H LYS A 53 8.720 9.453 -4.105 1.00 0.00 H new ATOM 0 HA LYS A 53 9.555 7.744 -6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.527 7.367 -4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.264 8.963 -5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.494 9.582 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.773 9.252 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.987 8.212 -1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.139 7.034 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.260 6.503 -3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.107 7.680 -2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.392 5.453 -1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.535 6.401 -0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.713 5.260 -1.179 1.00 0.00 H new TER 897 LYS A 53