USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 245 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 133 ASN :FLIP amide:sc= -3.09! C(o=-7!,f=-3.1!) USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 142 GLN :FLIP amide:sc= -2.6! C(o=-3.3!,f=-2.6!) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.19) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 180:sc= -2.7! USER MOD ----------------------------------------------------------------- ATOM 19 N VAL A 132 -23.574 0.474 -1.979 1.00 0.00 N ATOM 20 CA VAL A 132 -23.008 1.767 -1.636 1.00 0.00 C ATOM 21 C VAL A 132 -22.345 1.680 -0.260 1.00 0.00 C ATOM 22 O VAL A 132 -21.154 1.953 -0.122 1.00 0.00 O ATOM 23 CB VAL A 132 -24.087 2.848 -1.712 1.00 0.00 C ATOM 24 CG1 VAL A 132 -23.567 4.183 -1.176 1.00 0.00 C ATOM 25 CG2 VAL A 132 -24.613 2.999 -3.140 1.00 0.00 C ATOM 0 HA VAL A 132 -22.236 2.047 -2.352 1.00 0.00 H new ATOM 0 HB VAL A 132 -24.918 2.535 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -24.355 4.933 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -23.265 4.064 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -22.710 4.504 -1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -25.379 3.774 -3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -23.793 3.277 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -25.042 2.054 -3.471 1.00 0.00 H new ATOM 35 N ASN A 133 -23.146 1.297 0.724 1.00 0.00 N ATOM 36 CA ASN A 133 -22.651 1.171 2.084 1.00 0.00 C ATOM 37 C ASN A 133 -21.228 0.611 2.055 1.00 0.00 C ATOM 38 O ASN A 133 -20.343 1.120 2.740 1.00 0.00 O ATOM 39 CB ASN A 133 -23.521 0.210 2.899 1.00 0.00 C ATOM 40 CG ASN A 133 -23.269 -1.241 2.486 1.00 0.00 C ATOM 41 OD1 ASN A 133 -23.466 -1.478 1.192 1.00 0.00 O flip ATOM 42 ND2 ASN A 133 -22.918 -2.090 3.289 1.00 0.00 N flip ATOM 0 H ASN A 133 -24.133 1.070 0.606 1.00 0.00 H new ATOM 0 HA ASN A 133 -22.674 2.159 2.544 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -23.307 0.332 3.961 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -24.573 0.455 2.755 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -22.785 -1.841 4.269 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -22.758 -3.049 2.980 1.00 0.00 H new ATOM 48 N MET A 134 -21.052 -0.431 1.256 1.00 0.00 N ATOM 49 CA MET A 134 -19.751 -1.066 1.128 1.00 0.00 C ATOM 50 C MET A 134 -18.752 -0.134 0.439 1.00 0.00 C ATOM 51 O MET A 134 -17.614 0.001 0.886 1.00 0.00 O ATOM 52 CB MET A 134 -19.890 -2.356 0.317 1.00 0.00 C ATOM 53 CG MET A 134 -20.638 -3.426 1.114 1.00 0.00 C ATOM 54 SD MET A 134 -19.651 -3.953 2.504 1.00 0.00 S ATOM 55 CE MET A 134 -20.487 -5.475 2.918 1.00 0.00 C ATOM 0 H MET A 134 -21.789 -0.852 0.690 1.00 0.00 H new ATOM 0 HA MET A 134 -19.378 -1.293 2.127 1.00 0.00 H new ATOM 0 HB2 MET A 134 -20.422 -2.150 -0.612 1.00 0.00 H new ATOM 0 HB3 MET A 134 -18.902 -2.726 0.043 1.00 0.00 H new ATOM 0 HG2 MET A 134 -21.592 -3.030 1.464 1.00 0.00 H new ATOM 0 HG3 MET A 134 -20.862 -4.278 0.473 1.00 0.00 H new ATOM 0 HE1 MET A 134 -19.996 -5.939 3.773 1.00 0.00 H new ATOM 0 HE2 MET A 134 -21.527 -5.263 3.168 1.00 0.00 H new ATOM 0 HE3 MET A 134 -20.450 -6.154 2.066 1.00 0.00 H new ATOM 63 N ASP A 135 -19.214 0.484 -0.639 1.00 0.00 N ATOM 64 CA ASP A 135 -18.374 1.400 -1.393 1.00 0.00 C ATOM 65 C ASP A 135 -17.703 2.380 -0.430 1.00 0.00 C ATOM 66 O ASP A 135 -16.491 2.585 -0.492 1.00 0.00 O ATOM 67 CB ASP A 135 -19.203 2.210 -2.393 1.00 0.00 C ATOM 68 CG ASP A 135 -18.641 2.252 -3.814 1.00 0.00 C ATOM 69 OD1 ASP A 135 -18.777 1.222 -4.510 1.00 0.00 O ATOM 70 OD2 ASP A 135 -18.088 3.313 -4.175 1.00 0.00 O ATOM 0 H ASP A 135 -20.158 0.369 -1.008 1.00 0.00 H new ATOM 0 HA ASP A 135 -17.632 0.811 -1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -20.210 1.794 -2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -19.293 3.232 -2.024 1.00 0.00 H new ATOM 74 N LEU A 136 -18.519 2.963 0.436 1.00 0.00 N ATOM 75 CA LEU A 136 -18.018 3.917 1.410 1.00 0.00 C ATOM 76 C LEU A 136 -17.145 3.187 2.433 1.00 0.00 C ATOM 77 O LEU A 136 -16.057 3.650 2.770 1.00 0.00 O ATOM 78 CB LEU A 136 -19.174 4.700 2.037 1.00 0.00 C ATOM 79 CG LEU A 136 -18.797 5.677 3.151 1.00 0.00 C ATOM 80 CD1 LEU A 136 -19.197 7.108 2.786 1.00 0.00 C ATOM 81 CD2 LEU A 136 -19.394 5.239 4.490 1.00 0.00 C ATOM 0 H LEU A 136 -19.524 2.793 0.483 1.00 0.00 H new ATOM 0 HA LEU A 136 -17.386 4.660 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -19.679 5.257 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -19.896 3.987 2.435 1.00 0.00 H new ATOM 0 HG LEU A 136 -17.713 5.665 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -18.917 7.782 3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -18.684 7.407 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -20.275 7.156 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -19.111 5.951 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -20.480 5.203 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -19.017 4.250 4.750 1.00 0.00 H new ATOM 92 N ARG A 137 -17.656 2.055 2.897 1.00 0.00 N ATOM 93 CA ARG A 137 -16.936 1.256 3.874 1.00 0.00 C ATOM 94 C ARG A 137 -15.470 1.105 3.462 1.00 0.00 C ATOM 95 O ARG A 137 -14.570 1.473 4.215 1.00 0.00 O ATOM 96 CB ARG A 137 -17.563 -0.133 4.018 1.00 0.00 C ATOM 97 CG ARG A 137 -18.968 -0.041 4.617 1.00 0.00 C ATOM 98 CD ARG A 137 -19.004 -0.637 6.026 1.00 0.00 C ATOM 99 NE ARG A 137 -19.924 0.144 6.883 1.00 0.00 N ATOM 100 CZ ARG A 137 -21.261 0.070 6.811 1.00 0.00 C ATOM 101 NH1 ARG A 137 -21.840 -0.748 5.922 1.00 0.00 N ATOM 102 NH2 ARG A 137 -22.017 0.815 7.628 1.00 0.00 N ATOM 0 H ARG A 137 -18.559 1.673 2.615 1.00 0.00 H new ATOM 0 HA ARG A 137 -16.996 1.772 4.832 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -17.611 -0.617 3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -16.933 -0.756 4.653 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -19.285 1.001 4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -19.675 -0.569 3.977 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -19.329 -1.676 5.982 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -18.003 -0.634 6.456 1.00 0.00 H new ATOM 0 HE ARG A 137 -19.516 0.777 7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -21.264 -1.315 5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -22.857 -0.804 5.867 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -21.576 1.438 8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -23.034 0.759 7.574 1.00 0.00 H new ATOM 113 N ALA A 138 -15.278 0.565 2.268 1.00 0.00 N ATOM 114 CA ALA A 138 -13.936 0.362 1.746 1.00 0.00 C ATOM 115 C ALA A 138 -13.317 1.718 1.403 1.00 0.00 C ATOM 116 O ALA A 138 -12.153 1.970 1.712 1.00 0.00 O ATOM 117 CB ALA A 138 -13.995 -0.575 0.539 1.00 0.00 C ATOM 0 H ALA A 138 -16.028 0.262 1.647 1.00 0.00 H new ATOM 0 HA ALA A 138 -13.300 -0.110 2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -12.989 -0.728 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -14.415 -1.534 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -14.622 -0.133 -0.235 1.00 0.00 H new ATOM 123 N ASN A 139 -14.121 2.557 0.768 1.00 0.00 N ATOM 124 CA ASN A 139 -13.667 3.882 0.378 1.00 0.00 C ATOM 125 C ASN A 139 -12.742 4.437 1.463 1.00 0.00 C ATOM 126 O ASN A 139 -11.710 5.032 1.157 1.00 0.00 O ATOM 127 CB ASN A 139 -14.845 4.845 0.224 1.00 0.00 C ATOM 128 CG ASN A 139 -14.357 6.267 -0.062 1.00 0.00 C ATOM 129 OD1 ASN A 139 -13.384 6.332 -0.966 1.00 0.00 O flip ATOM 130 ND2 ASN A 139 -14.834 7.239 0.500 1.00 0.00 N flip ATOM 0 H ASN A 139 -15.086 2.345 0.513 1.00 0.00 H new ATOM 0 HA ASN A 139 -13.147 3.794 -0.576 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -15.491 4.508 -0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -15.446 4.839 1.134 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -15.580 7.117 1.185 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -14.487 8.174 0.285 1.00 0.00 H new ATOM 136 N LEU A 140 -13.144 4.223 2.707 1.00 0.00 N ATOM 137 CA LEU A 140 -12.364 4.695 3.837 1.00 0.00 C ATOM 138 C LEU A 140 -11.346 3.623 4.232 1.00 0.00 C ATOM 139 O LEU A 140 -10.241 3.942 4.668 1.00 0.00 O ATOM 140 CB LEU A 140 -13.284 5.121 4.983 1.00 0.00 C ATOM 141 CG LEU A 140 -13.897 6.518 4.867 1.00 0.00 C ATOM 142 CD1 LEU A 140 -15.293 6.454 4.246 1.00 0.00 C ATOM 143 CD2 LEU A 140 -13.905 7.227 6.223 1.00 0.00 C ATOM 0 H LEU A 140 -14.000 3.729 2.957 1.00 0.00 H new ATOM 0 HA LEU A 140 -11.799 5.587 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -14.094 4.396 5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -12.719 5.070 5.914 1.00 0.00 H new ATOM 0 HG LEU A 140 -13.274 7.110 4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -15.706 7.460 4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -15.228 6.017 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -15.941 5.839 4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -14.346 8.218 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -14.492 6.646 6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -12.883 7.323 6.589 1.00 0.00 H new ATOM 172 N GLN A 142 -9.404 0.868 2.543 1.00 0.00 N ATOM 173 CA GLN A 142 -8.940 0.232 1.322 1.00 0.00 C ATOM 174 C GLN A 142 -7.612 0.847 0.875 1.00 0.00 C ATOM 175 O GLN A 142 -7.596 1.854 0.170 1.00 0.00 O ATOM 176 CB GLN A 142 -9.992 0.336 0.216 1.00 0.00 C ATOM 177 CG GLN A 142 -10.219 1.793 -0.190 1.00 0.00 C ATOM 178 CD GLN A 142 -9.563 2.095 -1.539 1.00 0.00 C ATOM 179 OE1 GLN A 142 -8.788 3.177 -1.534 1.00 0.00 O flip ATOM 180 NE2 GLN A 142 -9.748 1.393 -2.520 1.00 0.00 N flip ATOM 0 HA GLN A 142 -8.778 -0.826 1.526 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -9.671 -0.241 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -10.930 -0.100 0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -11.288 1.996 -0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -9.810 2.455 0.573 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -10.355 0.576 -2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -9.295 1.623 -3.405 1.00 0.00 H new ATOM 187 N VAL A 143 -6.530 0.214 1.304 1.00 0.00 N ATOM 188 CA VAL A 143 -5.200 0.686 0.956 1.00 0.00 C ATOM 189 C VAL A 143 -5.083 2.170 1.307 1.00 0.00 C ATOM 190 O VAL A 143 -5.610 3.024 0.594 1.00 0.00 O ATOM 191 CB VAL A 143 -4.910 0.395 -0.517 1.00 0.00 C ATOM 192 CG1 VAL A 143 -6.102 -0.293 -1.186 1.00 0.00 C ATOM 193 CG2 VAL A 143 -4.526 1.674 -1.263 1.00 0.00 C ATOM 0 H VAL A 143 -6.547 -0.621 1.889 1.00 0.00 H new ATOM 0 HA VAL A 143 -4.443 0.155 1.533 1.00 0.00 H new ATOM 0 HB VAL A 143 -4.061 -0.287 -0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -5.869 -0.488 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.310 -1.235 -0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -6.977 0.354 -1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -4.325 1.439 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.346 2.390 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -3.633 2.105 -0.810 1.00 0.00 H new ATOM 203 N LYS A 144 -4.390 2.434 2.404 1.00 0.00 N ATOM 204 CA LYS A 144 -4.197 3.800 2.858 1.00 0.00 C ATOM 205 C LYS A 144 -2.744 4.214 2.615 1.00 0.00 C ATOM 206 O LYS A 144 -1.999 4.463 3.562 1.00 0.00 O ATOM 207 CB LYS A 144 -4.643 3.951 4.314 1.00 0.00 C ATOM 208 CG LYS A 144 -6.045 3.372 4.519 1.00 0.00 C ATOM 209 CD LYS A 144 -6.834 4.195 5.539 1.00 0.00 C ATOM 210 CE LYS A 144 -7.171 5.581 4.982 1.00 0.00 C ATOM 211 NZ LYS A 144 -6.678 6.638 5.892 1.00 0.00 N ATOM 0 H LYS A 144 -3.955 1.724 2.993 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.824 4.482 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -3.936 3.443 4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -4.636 5.005 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -6.578 3.356 3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -5.970 2.339 4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -7.753 3.671 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -6.253 4.299 6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -6.722 5.703 3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -8.249 5.676 4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -6.915 7.572 5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -7.126 6.530 6.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -5.646 6.556 5.993 1.00 0.00 H new ATOM 221 N LYS A 145 -2.384 4.274 1.342 1.00 0.00 N ATOM 222 CA LYS A 145 -1.033 4.652 0.963 1.00 0.00 C ATOM 223 C LYS A 145 -0.793 6.115 1.342 1.00 0.00 C ATOM 224 O LYS A 145 -1.738 6.892 1.462 1.00 0.00 O ATOM 225 CB LYS A 145 -0.789 4.352 -0.518 1.00 0.00 C ATOM 226 CG LYS A 145 0.471 3.503 -0.704 1.00 0.00 C ATOM 227 CD LYS A 145 1.095 3.744 -2.080 1.00 0.00 C ATOM 228 CE LYS A 145 2.611 3.537 -2.039 1.00 0.00 C ATOM 229 NZ LYS A 145 3.278 4.388 -3.050 1.00 0.00 N ATOM 0 H LYS A 145 -3.004 4.067 0.559 1.00 0.00 H new ATOM 0 HA LYS A 145 -0.302 4.056 1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 145 -1.650 3.828 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -0.687 5.286 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 145 1.195 3.744 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 145 0.223 2.448 -0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 145 0.651 3.065 -2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 145 0.872 4.758 -2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 145 2.990 3.777 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 145 2.846 2.489 -2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 4.306 4.235 -3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 2.929 4.140 -3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 3.068 5.388 -2.855 1.00 0.00 H new ATOM 239 N GLU A 146 0.478 6.445 1.520 1.00 0.00 N ATOM 240 CA GLU A 146 0.855 7.800 1.883 1.00 0.00 C ATOM 241 C GLU A 146 2.293 8.086 1.448 1.00 0.00 C ATOM 242 O GLU A 146 2.593 9.173 0.956 1.00 0.00 O ATOM 243 CB GLU A 146 0.679 8.035 3.385 1.00 0.00 C ATOM 244 CG GLU A 146 -0.469 9.009 3.658 1.00 0.00 C ATOM 245 CD GLU A 146 -0.670 9.213 5.160 1.00 0.00 C ATOM 246 OE1 GLU A 146 0.328 9.566 5.823 1.00 0.00 O ATOM 247 OE2 GLU A 146 -1.818 9.010 5.612 1.00 0.00 O ATOM 0 H GLU A 146 1.259 5.797 1.420 1.00 0.00 H new ATOM 0 HA GLU A 146 0.194 8.492 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.482 7.086 3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 146 1.604 8.430 3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -0.259 9.967 3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -1.388 8.627 3.213 1.00 0.00 H new ATOM 252 N ASP A 147 3.146 7.092 1.645 1.00 0.00 N ATOM 253 CA ASP A 147 4.546 7.223 1.280 1.00 0.00 C ATOM 254 C ASP A 147 5.182 5.832 1.207 1.00 0.00 C ATOM 255 O ASP A 147 4.670 4.881 1.794 1.00 0.00 O ATOM 256 CB ASP A 147 5.313 8.039 2.321 1.00 0.00 C ATOM 257 CG ASP A 147 4.870 9.497 2.454 1.00 0.00 C ATOM 258 OD1 ASP A 147 5.242 10.287 1.559 1.00 0.00 O ATOM 259 OD2 ASP A 147 4.169 9.789 3.447 1.00 0.00 O ATOM 0 H ASP A 147 2.894 6.192 2.053 1.00 0.00 H new ATOM 0 HA ASP A 147 4.597 7.730 0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 147 5.208 7.553 3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 147 6.373 8.019 2.068 1.00 0.00 H new ATOM 263 N THR A 148 6.288 5.760 0.482 1.00 0.00 N ATOM 264 CA THR A 148 7.000 4.502 0.325 1.00 0.00 C ATOM 265 C THR A 148 7.004 3.724 1.642 1.00 0.00 C ATOM 266 O THR A 148 7.076 2.496 1.643 1.00 0.00 O ATOM 267 CB THR A 148 8.402 4.814 -0.202 1.00 0.00 C ATOM 268 OG1 THR A 148 9.142 3.624 0.057 1.00 0.00 O ATOM 269 CG2 THR A 148 9.114 5.884 0.629 1.00 0.00 C ATOM 0 H THR A 148 6.709 6.552 -0.004 1.00 0.00 H new ATOM 0 HA THR A 148 6.504 3.854 -0.397 1.00 0.00 H new ATOM 0 HB THR A 148 8.336 5.144 -1.239 1.00 0.00 H new ATOM 0 HG1 THR A 148 10.064 3.738 -0.255 1.00 0.00 H new ATOM 0 HG21 THR A 148 10.105 6.068 0.213 1.00 0.00 H new ATOM 0 HG22 THR A 148 8.534 6.807 0.608 1.00 0.00 H new ATOM 0 HG23 THR A 148 9.211 5.540 1.659 1.00 0.00 H new ATOM 277 N GLU A 149 6.927 4.472 2.735 1.00 0.00 N ATOM 278 CA GLU A 149 6.922 3.868 4.056 1.00 0.00 C ATOM 279 C GLU A 149 5.512 3.900 4.649 1.00 0.00 C ATOM 280 O GLU A 149 5.097 2.960 5.326 1.00 0.00 O ATOM 281 CB GLU A 149 7.921 4.564 4.981 1.00 0.00 C ATOM 282 CG GLU A 149 7.445 5.972 5.342 1.00 0.00 C ATOM 283 CD GLU A 149 8.564 6.775 6.010 1.00 0.00 C ATOM 284 OE1 GLU A 149 9.730 6.347 5.873 1.00 0.00 O ATOM 285 OE2 GLU A 149 8.228 7.799 6.643 1.00 0.00 O ATOM 0 H GLU A 149 6.868 5.490 2.731 1.00 0.00 H new ATOM 0 HA GLU A 149 7.231 2.827 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 149 8.051 3.976 5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 149 8.895 4.619 4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 149 7.109 6.488 4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 149 6.588 5.909 6.012 1.00 0.00 H new ATOM 290 N LYS A 150 4.814 4.992 4.373 1.00 0.00 N ATOM 291 CA LYS A 150 3.459 5.159 4.871 1.00 0.00 C ATOM 292 C LYS A 150 2.484 4.432 3.941 1.00 0.00 C ATOM 293 O LYS A 150 2.434 4.716 2.745 1.00 0.00 O ATOM 294 CB LYS A 150 3.136 6.642 5.059 1.00 0.00 C ATOM 295 CG LYS A 150 3.715 7.166 6.375 1.00 0.00 C ATOM 296 CD LYS A 150 5.083 7.814 6.153 1.00 0.00 C ATOM 297 CE LYS A 150 4.960 9.336 6.056 1.00 0.00 C ATOM 298 NZ LYS A 150 5.108 9.954 7.393 1.00 0.00 N ATOM 0 H LYS A 150 5.161 5.769 3.811 1.00 0.00 H new ATOM 0 HA LYS A 150 3.358 4.706 5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 150 3.542 7.215 4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.056 6.787 5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 150 3.031 7.893 6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 150 3.808 6.346 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 150 5.751 7.551 6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 150 5.531 7.423 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 150 5.723 9.726 5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 150 3.992 9.602 5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 5.022 10.987 7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 4.365 9.595 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 6.041 9.715 7.785 1.00 0.00 H new ATOM 308 N GLU A 151 1.736 3.508 4.525 1.00 0.00 N ATOM 309 CA GLU A 151 0.767 2.738 3.764 1.00 0.00 C ATOM 310 C GLU A 151 0.088 1.703 4.664 1.00 0.00 C ATOM 311 O GLU A 151 0.727 0.757 5.120 1.00 0.00 O ATOM 312 CB GLU A 151 1.426 2.067 2.558 1.00 0.00 C ATOM 313 CG GLU A 151 2.734 1.380 2.958 1.00 0.00 C ATOM 314 CD GLU A 151 2.477 -0.045 3.451 1.00 0.00 C ATOM 315 OE1 GLU A 151 1.349 -0.530 3.221 1.00 0.00 O ATOM 316 OE2 GLU A 151 3.415 -0.616 4.048 1.00 0.00 O ATOM 0 H GLU A 151 1.781 3.275 5.517 1.00 0.00 H new ATOM 0 HA GLU A 151 0.005 3.420 3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 151 0.743 1.334 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 151 1.623 2.811 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 151 3.412 1.357 2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 151 3.227 1.956 3.741 1.00 0.00 H new ATOM 321 N LYS A 152 -1.200 1.918 4.890 1.00 0.00 N ATOM 322 CA LYS A 152 -1.974 1.016 5.726 1.00 0.00 C ATOM 323 C LYS A 152 -2.493 -0.143 4.874 1.00 0.00 C ATOM 324 O LYS A 152 -3.280 0.064 3.951 1.00 0.00 O ATOM 325 CB LYS A 152 -3.075 1.780 6.463 1.00 0.00 C ATOM 326 CG LYS A 152 -3.256 1.247 7.885 1.00 0.00 C ATOM 327 CD LYS A 152 -4.075 2.220 8.736 1.00 0.00 C ATOM 328 CE LYS A 152 -5.432 1.617 9.104 1.00 0.00 C ATOM 329 NZ LYS A 152 -5.488 1.311 10.551 1.00 0.00 N ATOM 0 H LYS A 152 -1.727 2.704 4.509 1.00 0.00 H new ATOM 0 HA LYS A 152 -1.345 0.583 6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -2.826 2.841 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -4.013 1.691 5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -3.754 0.278 7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -2.280 1.089 8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -3.525 2.467 9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -4.223 3.151 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -6.229 2.313 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -5.601 0.708 8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -6.416 0.902 10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -4.740 0.630 10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -5.348 2.185 11.096 1.00 0.00 H new ATOM 339 N ASP A 153 -2.032 -1.338 5.212 1.00 0.00 N ATOM 340 CA ASP A 153 -2.442 -2.530 4.490 1.00 0.00 C ATOM 341 C ASP A 153 -3.578 -3.218 5.249 1.00 0.00 C ATOM 342 O ASP A 153 -3.346 -3.860 6.272 1.00 0.00 O ATOM 343 CB ASP A 153 -1.285 -3.525 4.368 1.00 0.00 C ATOM 344 CG ASP A 153 -1.532 -4.888 5.017 1.00 0.00 C ATOM 345 OD1 ASP A 153 -2.571 -5.497 4.680 1.00 0.00 O ATOM 346 OD2 ASP A 153 -0.678 -5.290 5.836 1.00 0.00 O ATOM 0 H ASP A 153 -1.378 -1.506 5.977 1.00 0.00 H new ATOM 0 HA ASP A 153 -2.764 -2.226 3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -1.067 -3.677 3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -0.396 -3.082 4.817 1.00 0.00 H new ATOM 350 N LEU A 154 -4.782 -3.059 4.719 1.00 0.00 N ATOM 351 CA LEU A 154 -5.955 -3.657 5.334 1.00 0.00 C ATOM 352 C LEU A 154 -6.396 -4.868 4.511 1.00 0.00 C ATOM 353 O LEU A 154 -5.742 -5.232 3.535 1.00 0.00 O ATOM 354 CB LEU A 154 -7.053 -2.608 5.524 1.00 0.00 C ATOM 355 CG LEU A 154 -7.454 -1.824 4.272 1.00 0.00 C ATOM 356 CD1 LEU A 154 -6.624 -0.546 4.136 1.00 0.00 C ATOM 357 CD2 LEU A 154 -7.365 -2.702 3.023 1.00 0.00 C ATOM 0 H LEU A 154 -4.971 -2.525 3.871 1.00 0.00 H new ATOM 0 HA LEU A 154 -5.718 -4.021 6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -7.940 -3.106 5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -6.723 -1.899 6.283 1.00 0.00 H new ATOM 0 HG LEU A 154 -8.496 -1.521 4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.929 -0.008 3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -6.783 0.086 5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.568 -0.804 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.655 -2.120 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.342 -3.057 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.035 -3.555 3.130 1.00 0.00 H new ATOM 368 N ARG A 155 -7.503 -5.460 4.934 1.00 0.00 N ATOM 369 CA ARG A 155 -8.040 -6.623 4.248 1.00 0.00 C ATOM 370 C ARG A 155 -7.824 -6.495 2.739 1.00 0.00 C ATOM 371 O ARG A 155 -7.745 -5.387 2.211 1.00 0.00 O ATOM 372 CB ARG A 155 -9.535 -6.788 4.531 1.00 0.00 C ATOM 373 CG ARG A 155 -10.325 -5.577 4.029 1.00 0.00 C ATOM 374 CD ARG A 155 -11.427 -5.195 5.019 1.00 0.00 C ATOM 375 NE ARG A 155 -12.668 -5.938 4.706 1.00 0.00 N ATOM 376 CZ ARG A 155 -13.893 -5.545 5.078 1.00 0.00 C ATOM 377 NH1 ARG A 155 -14.050 -4.414 5.780 1.00 0.00 N ATOM 378 NH2 ARG A 155 -14.963 -6.282 4.749 1.00 0.00 N ATOM 0 H ARG A 155 -8.043 -5.156 5.744 1.00 0.00 H new ATOM 0 HA ARG A 155 -7.513 -7.501 4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -9.903 -7.693 4.047 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -9.695 -6.912 5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -9.651 -4.732 3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -10.765 -5.802 3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -11.106 -5.418 6.037 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -11.614 -4.122 4.972 1.00 0.00 H new ATOM 0 HE ARG A 155 -12.585 -6.804 4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -13.236 -3.852 6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -14.983 -4.115 6.063 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -14.845 -7.143 4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -15.896 -5.982 5.033 1.00 0.00 H new ATOM 389 N ASP A 156 -7.736 -7.645 2.086 1.00 0.00 N ATOM 390 CA ASP A 156 -7.531 -7.675 0.648 1.00 0.00 C ATOM 391 C ASP A 156 -6.063 -7.370 0.340 1.00 0.00 C ATOM 392 O ASP A 156 -5.670 -7.309 -0.824 1.00 0.00 O ATOM 393 CB ASP A 156 -8.391 -6.622 -0.053 1.00 0.00 C ATOM 394 CG ASP A 156 -8.762 -6.950 -1.501 1.00 0.00 C ATOM 395 OD1 ASP A 156 -9.665 -7.796 -1.677 1.00 0.00 O ATOM 396 OD2 ASP A 156 -8.134 -6.347 -2.398 1.00 0.00 O ATOM 0 H ASP A 156 -7.803 -8.563 2.527 1.00 0.00 H new ATOM 0 HA ASP A 156 -7.810 -8.665 0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -9.309 -6.484 0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -7.859 -5.671 -0.036 1.00 0.00 H new ATOM 400 N VAL A 157 -5.295 -7.185 1.403 1.00 0.00 N ATOM 401 CA VAL A 157 -3.880 -6.887 1.261 1.00 0.00 C ATOM 402 C VAL A 157 -3.380 -7.433 -0.078 1.00 0.00 C ATOM 403 O VAL A 157 -2.882 -6.680 -0.913 1.00 0.00 O ATOM 404 CB VAL A 157 -3.105 -7.442 2.458 1.00 0.00 C ATOM 405 CG1 VAL A 157 -4.058 -7.865 3.578 1.00 0.00 C ATOM 406 CG2 VAL A 157 -2.202 -8.603 2.037 1.00 0.00 C ATOM 0 H VAL A 157 -5.626 -7.236 2.367 1.00 0.00 H new ATOM 0 HA VAL A 157 -3.716 -5.809 1.255 1.00 0.00 H new ATOM 0 HB VAL A 157 -2.467 -6.646 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -3.483 -8.256 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -4.639 -7.003 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -4.733 -8.638 3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 157 -1.663 -8.979 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -2.811 -9.402 1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -1.488 -8.256 1.290 1.00 0.00 H new ATOM 416 N GLY A 158 -3.532 -8.739 -0.243 1.00 0.00 N ATOM 417 CA GLY A 158 -3.102 -9.394 -1.466 1.00 0.00 C ATOM 418 C GLY A 158 -1.792 -8.795 -1.978 1.00 0.00 C ATOM 419 O GLY A 158 -0.952 -8.364 -1.190 1.00 0.00 O ATOM 0 H GLY A 158 -3.947 -9.361 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -2.972 -10.461 -1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -3.875 -9.292 -2.228 1.00 0.00 H new ATOM 423 N ASP A 159 -1.656 -8.788 -3.296 1.00 0.00 N ATOM 424 CA ASP A 159 -0.460 -8.249 -3.922 1.00 0.00 C ATOM 425 C ASP A 159 -0.351 -6.757 -3.603 1.00 0.00 C ATOM 426 O ASP A 159 0.750 -6.232 -3.446 1.00 0.00 O ATOM 427 CB ASP A 159 -0.519 -8.404 -5.444 1.00 0.00 C ATOM 428 CG ASP A 159 0.374 -9.506 -6.016 1.00 0.00 C ATOM 429 OD1 ASP A 159 1.581 -9.227 -6.189 1.00 0.00 O ATOM 430 OD2 ASP A 159 -0.169 -10.603 -6.269 1.00 0.00 O ATOM 0 H ASP A 159 -2.354 -9.147 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 159 0.400 -8.797 -3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -1.550 -8.606 -5.734 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -0.239 -7.455 -5.902 1.00 0.00 H new ATOM 434 N TRP A 160 -1.508 -6.117 -3.516 1.00 0.00 N ATOM 435 CA TRP A 160 -1.556 -4.695 -3.218 1.00 0.00 C ATOM 436 C TRP A 160 -0.580 -4.420 -2.072 1.00 0.00 C ATOM 437 O TRP A 160 0.251 -3.517 -2.163 1.00 0.00 O ATOM 438 CB TRP A 160 -2.986 -4.249 -2.906 1.00 0.00 C ATOM 439 CG TRP A 160 -3.161 -3.655 -1.507 1.00 0.00 C ATOM 440 CD1 TRP A 160 -3.838 -4.169 -0.471 1.00 0.00 C ATOM 441 CD2 TRP A 160 -2.619 -2.404 -1.030 1.00 0.00 C ATOM 442 NE1 TRP A 160 -3.773 -3.344 0.635 1.00 0.00 N ATOM 443 CE2 TRP A 160 -3.009 -2.237 0.284 1.00 0.00 C ATOM 444 CE3 TRP A 160 -1.828 -1.446 -1.687 1.00 0.00 C ATOM 445 CZ2 TRP A 160 -2.654 -1.123 1.053 1.00 0.00 C ATOM 446 CZ3 TRP A 160 -1.481 -0.338 -0.903 1.00 0.00 C ATOM 447 CH2 TRP A 160 -1.865 -0.155 0.419 1.00 0.00 C ATOM 0 H TRP A 160 -2.419 -6.557 -3.647 1.00 0.00 H new ATOM 0 HA TRP A 160 -1.251 -4.108 -4.084 1.00 0.00 H new ATOM 0 HB2 TRP A 160 -3.294 -3.509 -3.645 1.00 0.00 H new ATOM 0 HB3 TRP A 160 -3.654 -5.104 -3.013 1.00 0.00 H new ATOM 0 HD1 TRP A 160 -4.368 -5.110 -0.497 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -4.206 -3.516 1.542 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -1.513 -1.555 -2.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.971 -1.016 2.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -0.872 0.428 -1.359 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -1.557 0.730 0.956 1.00 0.00 H new ATOM 457 N ARG A 161 -0.713 -5.214 -1.019 1.00 0.00 N ATOM 458 CA ARG A 161 0.146 -5.066 0.143 1.00 0.00 C ATOM 459 C ARG A 161 1.583 -5.460 -0.205 1.00 0.00 C ATOM 460 O ARG A 161 2.486 -4.628 -0.165 1.00 0.00 O ATOM 461 CB ARG A 161 -0.346 -5.931 1.306 1.00 0.00 C ATOM 462 CG ARG A 161 0.701 -6.000 2.419 1.00 0.00 C ATOM 463 CD ARG A 161 0.263 -6.963 3.524 1.00 0.00 C ATOM 464 NE ARG A 161 1.104 -6.770 4.726 1.00 0.00 N ATOM 465 CZ ARG A 161 1.045 -7.545 5.818 1.00 0.00 C ATOM 466 NH1 ARG A 161 0.183 -8.570 5.864 1.00 0.00 N ATOM 467 NH2 ARG A 161 1.847 -7.296 6.862 1.00 0.00 N ATOM 0 H ARG A 161 -1.403 -5.962 -0.947 1.00 0.00 H new ATOM 0 HA ARG A 161 0.116 -4.019 0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -1.275 -5.521 1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -0.568 -6.936 0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 161 1.656 -6.325 2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 161 0.857 -5.006 2.839 1.00 0.00 H new ATOM 0 HD2 ARG A 161 -0.785 -6.793 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 161 0.345 -7.992 3.174 1.00 0.00 H new ATOM 0 HE ARG A 161 1.771 -5.998 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 161 -0.427 -8.759 5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 161 0.137 -9.161 6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 161 2.503 -6.516 6.826 1.00 0.00 H new ATOM 0 HH22 ARG A 161 1.801 -7.886 7.692 1.00 0.00 H new ATOM 478 N LYS A 162 1.749 -6.732 -0.539 1.00 0.00 N ATOM 479 CA LYS A 162 3.060 -7.248 -0.895 1.00 0.00 C ATOM 480 C LYS A 162 3.812 -6.195 -1.712 1.00 0.00 C ATOM 481 O LYS A 162 5.039 -6.129 -1.664 1.00 0.00 O ATOM 482 CB LYS A 162 2.930 -8.598 -1.601 1.00 0.00 C ATOM 483 CG LYS A 162 4.154 -9.477 -1.331 1.00 0.00 C ATOM 484 CD LYS A 162 4.983 -9.668 -2.604 1.00 0.00 C ATOM 485 CE LYS A 162 5.472 -11.113 -2.727 1.00 0.00 C ATOM 486 NZ LYS A 162 6.540 -11.212 -3.746 1.00 0.00 N ATOM 0 H LYS A 162 0.997 -7.420 -0.570 1.00 0.00 H new ATOM 0 HA LYS A 162 3.651 -7.439 0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 162 2.029 -9.107 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 162 2.819 -8.442 -2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 162 4.770 -9.021 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 162 3.833 -10.447 -0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 162 4.383 -9.408 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 162 5.837 -8.991 -2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 162 5.846 -11.460 -1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 162 4.640 -11.763 -2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 6.861 -12.199 -3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 6.171 -10.900 -4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 7.340 -10.607 -3.471 1.00 0.00 H new ATOM 496 N ASN A 163 3.045 -5.400 -2.442 1.00 0.00 N ATOM 497 CA ASN A 163 3.624 -4.354 -3.268 1.00 0.00 C ATOM 498 C ASN A 163 4.176 -3.245 -2.368 1.00 0.00 C ATOM 499 O ASN A 163 5.387 -3.121 -2.202 1.00 0.00 O ATOM 500 CB ASN A 163 2.573 -3.734 -4.190 1.00 0.00 C ATOM 501 CG ASN A 163 2.539 -4.450 -5.542 1.00 0.00 C ATOM 502 OD1 ASN A 163 3.476 -4.405 -6.322 1.00 0.00 O ATOM 503 ND2 ASN A 163 1.409 -5.111 -5.776 1.00 0.00 N ATOM 0 H ASN A 163 2.027 -5.459 -2.479 1.00 0.00 H new ATOM 0 HA ASN A 163 4.414 -4.801 -3.871 1.00 0.00 H new ATOM 0 HB2 ASN A 163 1.592 -3.792 -3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 163 2.793 -2.677 -4.340 1.00 0.00 H new ATOM 0 HD21 ASN A 163 1.288 -5.621 -6.651 1.00 0.00 H new ATOM 0 HD22 ASN A 163 0.663 -5.108 -5.080 1.00 0.00 H new ATOM 509 N ILE A 164 3.257 -2.468 -1.812 1.00 0.00 N ATOM 510 CA ILE A 164 3.636 -1.374 -0.933 1.00 0.00 C ATOM 511 C ILE A 164 3.950 -1.928 0.458 1.00 0.00 C ATOM 512 O ILE A 164 3.868 -1.206 1.450 1.00 0.00 O ATOM 513 CB ILE A 164 2.559 -0.288 -0.935 1.00 0.00 C ATOM 514 CG1 ILE A 164 1.544 -0.522 0.187 1.00 0.00 C ATOM 515 CG2 ILE A 164 1.886 -0.185 -2.304 1.00 0.00 C ATOM 516 CD1 ILE A 164 0.968 -1.938 0.119 1.00 0.00 C ATOM 0 H ILE A 164 2.252 -2.574 -1.953 1.00 0.00 H new ATOM 0 HA ILE A 164 4.543 -0.891 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 164 3.040 0.671 -0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 164 2.023 -0.366 1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 164 0.737 0.207 0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 164 1.125 0.595 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 164 2.632 0.062 -3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 164 1.420 -1.139 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 164 0.250 -2.078 0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 164 0.469 -2.082 -0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 164 1.775 -2.664 0.221 1.00 0.00 H new ATOM 527 N GLU A 165 4.303 -3.205 0.485 1.00 0.00 N ATOM 528 CA GLU A 165 4.629 -3.865 1.739 1.00 0.00 C ATOM 529 C GLU A 165 6.074 -4.367 1.713 1.00 0.00 C ATOM 530 O GLU A 165 6.747 -4.385 2.743 1.00 0.00 O ATOM 531 CB GLU A 165 3.655 -5.008 2.026 1.00 0.00 C ATOM 532 CG GLU A 165 3.960 -5.661 3.375 1.00 0.00 C ATOM 533 CD GLU A 165 3.550 -7.135 3.376 1.00 0.00 C ATOM 534 OE1 GLU A 165 3.378 -7.677 2.263 1.00 0.00 O ATOM 535 OE2 GLU A 165 3.418 -7.688 4.490 1.00 0.00 O ATOM 0 H GLU A 165 4.370 -3.800 -0.341 1.00 0.00 H new ATOM 0 HA GLU A 165 4.532 -3.139 2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 165 2.633 -4.629 2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 165 3.720 -5.754 1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 165 5.025 -5.576 3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 165 3.430 -5.132 4.167 1.00 0.00 H new ATOM 540 N GLU A 166 6.508 -4.764 0.526 1.00 0.00 N ATOM 541 CA GLU A 166 7.860 -5.266 0.353 1.00 0.00 C ATOM 542 C GLU A 166 8.769 -4.165 -0.198 1.00 0.00 C ATOM 543 O GLU A 166 9.932 -4.063 0.189 1.00 0.00 O ATOM 544 CB GLU A 166 7.876 -6.497 -0.556 1.00 0.00 C ATOM 545 CG GLU A 166 9.310 -6.902 -0.905 1.00 0.00 C ATOM 546 CD GLU A 166 9.483 -8.421 -0.831 1.00 0.00 C ATOM 547 OE1 GLU A 166 9.121 -9.082 -1.829 1.00 0.00 O ATOM 548 OE2 GLU A 166 9.974 -8.886 0.220 1.00 0.00 O ATOM 0 H GLU A 166 5.947 -4.748 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 166 8.241 -5.570 1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 166 7.370 -7.326 -0.061 1.00 0.00 H new ATOM 0 HB3 GLU A 166 7.321 -6.286 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 166 9.557 -6.552 -1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 166 10.006 -6.419 -0.219 1.00 0.00 H new ATOM 553 N LYS A 167 8.204 -3.369 -1.094 1.00 0.00 N ATOM 554 CA LYS A 167 8.948 -2.280 -1.703 1.00 0.00 C ATOM 555 C LYS A 167 8.660 -0.983 -0.943 1.00 0.00 C ATOM 556 O LYS A 167 9.520 -0.109 -0.850 1.00 0.00 O ATOM 557 CB LYS A 167 8.646 -2.195 -3.200 1.00 0.00 C ATOM 558 CG LYS A 167 7.208 -1.733 -3.444 1.00 0.00 C ATOM 559 CD LYS A 167 7.172 -0.541 -4.403 1.00 0.00 C ATOM 560 CE LYS A 167 7.681 0.728 -3.719 1.00 0.00 C ATOM 561 NZ LYS A 167 8.701 1.396 -4.558 1.00 0.00 N ATOM 0 H LYS A 167 7.239 -3.457 -1.413 1.00 0.00 H new ATOM 0 HA LYS A 167 10.020 -2.463 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 167 9.340 -1.502 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 167 8.802 -3.170 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 167 6.623 -2.555 -3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 167 6.745 -1.457 -2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 167 7.783 -0.756 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 167 6.153 -0.384 -4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 167 6.849 1.408 -3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 167 8.107 0.478 -2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 9.036 2.256 -4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 9.502 0.750 -4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 8.283 1.652 -5.475 1.00 0.00 H new ATOM 571 N SER A 168 7.446 -0.901 -0.418 1.00 0.00 N ATOM 572 CA SER A 168 7.033 0.274 0.331 1.00 0.00 C ATOM 573 C SER A 168 6.828 -0.090 1.803 1.00 0.00 C ATOM 574 O SER A 168 5.803 0.249 2.392 1.00 0.00 O ATOM 575 CB SER A 168 5.752 0.875 -0.251 1.00 0.00 C ATOM 576 OG SER A 168 5.745 0.841 -1.675 1.00 0.00 O ATOM 0 H SER A 168 6.736 -1.629 -0.496 1.00 0.00 H new ATOM 0 HA SER A 168 7.821 1.023 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 168 4.890 0.327 0.129 1.00 0.00 H new ATOM 0 HB3 SER A 168 5.649 1.906 0.087 1.00 0.00 H new ATOM 0 HG SER A 168 4.910 1.232 -2.007 1.00 0.00 H new ATOM 581 N GLY A 169 7.820 -0.773 2.354 1.00 0.00 N ATOM 582 CA GLY A 169 7.761 -1.186 3.746 1.00 0.00 C ATOM 583 C GLY A 169 9.158 -1.510 4.281 1.00 0.00 C ATOM 584 O GLY A 169 9.593 -0.938 5.277 1.00 0.00 O ATOM 0 H GLY A 169 8.669 -1.051 1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 169 7.313 -0.394 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 169 7.119 -2.061 3.843 1.00 0.00 H new