USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=4 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= -0.27 F(o=-1.8,f=-0.27) USER MOD Single : A 134 MET CE :methyl 138:sc= -3.6! (180deg=-4.49!) USER MOD Single : A 139 ASN : amide:sc= -0.198 K(o=-0.2,f=-1) USER MOD Single : A 142 GLN : amide:sc= -1.61! X(o=-1.6!,f=-1.4) 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= -0.0722 K(o=-0.072,f=-0.91) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot -170:sc= -0.866 USER MOD ----------------------------------------------------------------- ATOM 19 N VAL A 132 -23.885 -4.075 -0.153 1.00 0.00 N ATOM 20 CA VAL A 132 -23.634 -2.688 0.199 1.00 0.00 C ATOM 21 C VAL A 132 -22.681 -2.634 1.396 1.00 0.00 C ATOM 22 O VAL A 132 -21.594 -2.068 1.304 1.00 0.00 O ATOM 23 CB VAL A 132 -24.957 -1.965 0.455 1.00 0.00 C ATOM 24 CG1 VAL A 132 -24.716 -0.555 1.000 1.00 0.00 C ATOM 25 CG2 VAL A 132 -25.813 -1.924 -0.813 1.00 0.00 C ATOM 0 HA VAL A 132 -23.149 -2.167 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 132 -25.505 -2.527 1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -25.673 -0.063 1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -24.165 -0.617 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -24.138 0.021 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -26.748 -1.405 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -25.273 -1.397 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -26.028 -2.941 -1.140 1.00 0.00 H new ATOM 35 N ASN A 133 -23.126 -3.231 2.492 1.00 0.00 N ATOM 36 CA ASN A 133 -22.328 -3.258 3.705 1.00 0.00 C ATOM 37 C ASN A 133 -20.852 -3.422 3.336 1.00 0.00 C ATOM 38 O ASN A 133 -19.976 -2.888 4.015 1.00 0.00 O ATOM 39 CB ASN A 133 -22.724 -4.435 4.599 1.00 0.00 C ATOM 40 CG ASN A 133 -23.410 -5.535 3.786 1.00 0.00 C ATOM 41 OD1 ASN A 133 -22.591 -6.200 2.976 1.00 0.00 O flip ATOM 42 ND2 ASN A 133 -24.604 -5.764 3.887 1.00 0.00 N flip ATOM 0 H ASN A 133 -24.029 -3.700 2.565 1.00 0.00 H new ATOM 0 HA ASN A 133 -22.498 -2.324 4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -21.838 -4.839 5.088 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -23.393 -4.089 5.387 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -25.176 -5.215 4.529 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -25.030 -6.504 3.330 1.00 0.00 H new ATOM 48 N MET A 134 -20.622 -4.160 2.260 1.00 0.00 N ATOM 49 CA MET A 134 -19.267 -4.401 1.793 1.00 0.00 C ATOM 50 C MET A 134 -18.714 -3.175 1.062 1.00 0.00 C ATOM 51 O MET A 134 -17.638 -2.682 1.396 1.00 0.00 O ATOM 52 CB MET A 134 -19.258 -5.604 0.850 1.00 0.00 C ATOM 53 CG MET A 134 -19.225 -6.917 1.636 1.00 0.00 C ATOM 54 SD MET A 134 -17.562 -7.565 1.671 1.00 0.00 S ATOM 55 CE MET A 134 -17.098 -7.134 3.340 1.00 0.00 C ATOM 0 H MET A 134 -21.351 -4.599 1.698 1.00 0.00 H new ATOM 0 HA MET A 134 -18.635 -4.602 2.658 1.00 0.00 H new ATOM 0 HB2 MET A 134 -20.143 -5.579 0.214 1.00 0.00 H new ATOM 0 HB3 MET A 134 -18.391 -5.548 0.192 1.00 0.00 H new ATOM 0 HG2 MET A 134 -19.581 -6.751 2.653 1.00 0.00 H new ATOM 0 HG3 MET A 134 -19.897 -7.642 1.177 1.00 0.00 H new ATOM 0 HE1 MET A 134 -16.556 -7.964 3.793 1.00 0.00 H new ATOM 0 HE2 MET A 134 -16.460 -6.250 3.324 1.00 0.00 H new ATOM 0 HE3 MET A 134 -17.994 -6.924 3.924 1.00 0.00 H new ATOM 63 N ASP A 135 -19.477 -2.718 0.080 1.00 0.00 N ATOM 64 CA ASP A 135 -19.077 -1.560 -0.701 1.00 0.00 C ATOM 65 C ASP A 135 -18.612 -0.449 0.244 1.00 0.00 C ATOM 66 O ASP A 135 -17.523 0.098 0.078 1.00 0.00 O ATOM 67 CB ASP A 135 -20.247 -1.020 -1.526 1.00 0.00 C ATOM 68 CG ASP A 135 -19.934 -0.763 -3.001 1.00 0.00 C ATOM 69 OD1 ASP A 135 -19.941 -1.756 -3.763 1.00 0.00 O ATOM 70 OD2 ASP A 135 -19.696 0.417 -3.335 1.00 0.00 O ATOM 0 H ASP A 135 -20.370 -3.129 -0.193 1.00 0.00 H new ATOM 0 HA ASP A 135 -18.275 -1.867 -1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -21.073 -1.728 -1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -20.590 -0.089 -1.075 1.00 0.00 H new ATOM 74 N LEU A 136 -19.462 -0.149 1.216 1.00 0.00 N ATOM 75 CA LEU A 136 -19.153 0.887 2.188 1.00 0.00 C ATOM 76 C LEU A 136 -17.928 0.466 3.002 1.00 0.00 C ATOM 77 O LEU A 136 -16.999 1.250 3.183 1.00 0.00 O ATOM 78 CB LEU A 136 -20.381 1.203 3.042 1.00 0.00 C ATOM 79 CG LEU A 136 -20.126 2.039 4.298 1.00 0.00 C ATOM 80 CD1 LEU A 136 -20.801 3.408 4.192 1.00 0.00 C ATOM 81 CD2 LEU A 136 -20.560 1.283 5.556 1.00 0.00 C ATOM 0 H LEU A 136 -20.364 -0.605 1.351 1.00 0.00 H new ATOM 0 HA LEU A 136 -18.896 1.819 1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -21.106 1.729 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -20.842 0.262 3.343 1.00 0.00 H new ATOM 0 HG LEU A 136 -19.053 2.214 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -20.604 3.982 5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -20.404 3.944 3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -21.876 3.275 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -20.368 1.899 6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -21.625 1.058 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -19.996 0.353 5.634 1.00 0.00 H new ATOM 92 N ARG A 137 -17.967 -0.773 3.472 1.00 0.00 N ATOM 93 CA ARG A 137 -16.871 -1.307 4.263 1.00 0.00 C ATOM 94 C ARG A 137 -15.528 -0.896 3.656 1.00 0.00 C ATOM 95 O ARG A 137 -14.853 -0.009 4.177 1.00 0.00 O ATOM 96 CB ARG A 137 -16.942 -2.834 4.341 1.00 0.00 C ATOM 97 CG ARG A 137 -16.978 -3.307 5.797 1.00 0.00 C ATOM 98 CD ARG A 137 -17.540 -4.726 5.898 1.00 0.00 C ATOM 99 NE ARG A 137 -16.433 -5.702 6.012 1.00 0.00 N ATOM 100 CZ ARG A 137 -16.607 -7.013 6.229 1.00 0.00 C ATOM 101 NH1 ARG A 137 -17.843 -7.512 6.358 1.00 0.00 N ATOM 102 NH2 ARG A 137 -15.544 -7.823 6.319 1.00 0.00 N ATOM 0 H ARG A 137 -18.740 -1.421 3.320 1.00 0.00 H new ATOM 0 HA ARG A 137 -16.958 -0.898 5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -17.830 -3.188 3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -16.080 -3.268 3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -15.973 -3.279 6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -17.590 -2.627 6.389 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -18.196 -4.805 6.765 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -18.144 -4.950 5.019 1.00 0.00 H new ATOM 0 HE ARG A 137 -15.478 -5.355 5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -18.652 -6.894 6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -17.975 -8.510 6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -14.603 -7.442 6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -15.676 -8.821 6.484 1.00 0.00 H new ATOM 113 N ALA A 138 -15.181 -1.562 2.563 1.00 0.00 N ATOM 114 CA ALA A 138 -13.930 -1.276 1.881 1.00 0.00 C ATOM 115 C ALA A 138 -13.853 0.220 1.571 1.00 0.00 C ATOM 116 O ALA A 138 -12.871 0.877 1.914 1.00 0.00 O ATOM 117 CB ALA A 138 -13.829 -2.139 0.621 1.00 0.00 C ATOM 0 H ALA A 138 -15.743 -2.297 2.134 1.00 0.00 H new ATOM 0 HA ALA A 138 -13.080 -1.524 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -12.891 -1.926 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -13.859 -3.193 0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -14.664 -1.914 -0.042 1.00 0.00 H new ATOM 123 N ASN A 139 -14.900 0.714 0.928 1.00 0.00 N ATOM 124 CA ASN A 139 -14.962 2.121 0.569 1.00 0.00 C ATOM 125 C ASN A 139 -14.346 2.957 1.692 1.00 0.00 C ATOM 126 O ASN A 139 -13.730 3.991 1.435 1.00 0.00 O ATOM 127 CB ASN A 139 -16.410 2.576 0.379 1.00 0.00 C ATOM 128 CG ASN A 139 -16.490 4.096 0.217 1.00 0.00 C ATOM 129 OD1 ASN A 139 -15.599 4.737 -0.316 1.00 0.00 O ATOM 130 ND2 ASN A 139 -17.603 4.634 0.706 1.00 0.00 N ATOM 0 H ASN A 139 -15.712 0.166 0.646 1.00 0.00 H new ATOM 0 HA ASN A 139 -14.416 2.256 -0.365 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -16.835 2.090 -0.499 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -17.008 2.266 1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -17.751 5.642 0.647 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -18.309 4.039 1.140 1.00 0.00 H new ATOM 136 N LEU A 140 -14.534 2.479 2.913 1.00 0.00 N ATOM 137 CA LEU A 140 -14.003 3.170 4.076 1.00 0.00 C ATOM 138 C LEU A 140 -12.527 2.810 4.250 1.00 0.00 C ATOM 139 O LEU A 140 -11.684 3.691 4.408 1.00 0.00 O ATOM 140 CB LEU A 140 -14.858 2.874 5.311 1.00 0.00 C ATOM 141 CG LEU A 140 -14.980 4.009 6.330 1.00 0.00 C ATOM 142 CD1 LEU A 140 -15.594 5.256 5.691 1.00 0.00 C ATOM 143 CD2 LEU A 140 -15.759 3.555 7.565 1.00 0.00 C ATOM 0 H LEU A 140 -15.046 1.622 3.122 1.00 0.00 H new ATOM 0 HA LEU A 140 -14.052 4.249 3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -15.860 2.602 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -14.442 2.002 5.816 1.00 0.00 H new ATOM 0 HG LEU A 140 -13.978 4.279 6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -15.669 6.047 6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -14.963 5.592 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -16.588 5.019 5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -15.831 4.380 8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -16.760 3.242 7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -15.242 2.718 8.034 1.00 0.00 H new ATOM 172 N GLN A 142 -9.392 0.636 2.526 1.00 0.00 N ATOM 173 CA GLN A 142 -8.898 -0.026 1.331 1.00 0.00 C ATOM 174 C GLN A 142 -7.642 0.679 0.815 1.00 0.00 C ATOM 175 O GLN A 142 -7.733 1.712 0.153 1.00 0.00 O ATOM 176 CB GLN A 142 -9.978 -0.085 0.249 1.00 0.00 C ATOM 177 CG GLN A 142 -10.618 1.289 0.040 1.00 0.00 C ATOM 178 CD GLN A 142 -10.259 1.857 -1.334 1.00 0.00 C ATOM 179 OE1 GLN A 142 -10.773 1.442 -2.360 1.00 0.00 O ATOM 180 NE2 GLN A 142 -9.352 2.828 -1.298 1.00 0.00 N ATOM 0 HA GLN A 142 -8.635 -1.052 1.590 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -9.542 -0.433 -0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -10.743 -0.808 0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -11.701 1.208 0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -10.282 1.973 0.819 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -8.961 3.128 -0.405 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -9.047 3.273 -2.164 1.00 0.00 H new ATOM 187 N VAL A 143 -6.498 0.093 1.136 1.00 0.00 N ATOM 188 CA VAL A 143 -5.226 0.653 0.713 1.00 0.00 C ATOM 189 C VAL A 143 -5.199 2.149 1.034 1.00 0.00 C ATOM 190 O VAL A 143 -5.785 2.953 0.309 1.00 0.00 O ATOM 191 CB VAL A 143 -4.990 0.355 -0.769 1.00 0.00 C ATOM 192 CG1 VAL A 143 -6.211 -0.324 -1.393 1.00 0.00 C ATOM 193 CG2 VAL A 143 -4.621 1.628 -1.533 1.00 0.00 C ATOM 0 H VAL A 143 -6.426 -0.764 1.684 1.00 0.00 H new ATOM 0 HA VAL A 143 -4.405 0.189 1.259 1.00 0.00 H new ATOM 0 HB VAL A 143 -4.149 -0.335 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -6.017 -0.525 -2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.410 -1.262 -0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -7.078 0.331 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -4.459 1.388 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.432 2.352 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -3.709 2.053 -1.113 1.00 0.00 H new ATOM 203 N LYS A 144 -4.516 2.477 2.120 1.00 0.00 N ATOM 204 CA LYS A 144 -4.405 3.862 2.545 1.00 0.00 C ATOM 205 C LYS A 144 -2.931 4.206 2.773 1.00 0.00 C ATOM 206 O LYS A 144 -2.461 4.209 3.909 1.00 0.00 O ATOM 207 CB LYS A 144 -5.294 4.120 3.764 1.00 0.00 C ATOM 208 CG LYS A 144 -6.611 3.349 3.656 1.00 0.00 C ATOM 209 CD LYS A 144 -7.666 3.932 4.598 1.00 0.00 C ATOM 210 CE LYS A 144 -8.438 5.066 3.921 1.00 0.00 C ATOM 211 NZ LYS A 144 -8.436 6.276 4.773 1.00 0.00 N ATOM 0 H LYS A 144 -4.033 1.807 2.719 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.770 4.531 1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -4.768 3.823 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -5.499 5.187 3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -6.975 3.386 2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -6.443 2.299 3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -8.358 3.148 4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -7.185 4.304 5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -7.988 5.294 2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -9.464 4.751 3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -8.964 7.036 4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -8.886 6.059 5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -7.456 6.585 4.935 1.00 0.00 H new ATOM 221 N LYS A 145 -2.245 4.485 1.675 1.00 0.00 N ATOM 222 CA LYS A 145 -0.835 4.828 1.741 1.00 0.00 C ATOM 223 C LYS A 145 -0.581 6.086 0.907 1.00 0.00 C ATOM 224 O LYS A 145 -1.420 6.478 0.097 1.00 0.00 O ATOM 225 CB LYS A 145 0.028 3.633 1.331 1.00 0.00 C ATOM 226 CG LYS A 145 0.044 3.465 -0.190 1.00 0.00 C ATOM 227 CD LYS A 145 1.204 2.570 -0.630 1.00 0.00 C ATOM 228 CE LYS A 145 1.943 3.178 -1.825 1.00 0.00 C ATOM 229 NZ LYS A 145 1.090 3.142 -3.034 1.00 0.00 N ATOM 0 H LYS A 145 -2.639 4.481 0.734 1.00 0.00 H new ATOM 0 HA LYS A 145 -0.548 5.061 2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 145 1.046 3.772 1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -0.356 2.725 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 145 -0.900 3.032 -0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 145 0.132 4.441 -0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 145 1.897 2.433 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 145 0.826 1.583 -0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 145 2.224 4.207 -1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 145 2.866 2.628 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 1.606 3.558 -3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 0.843 2.156 -3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 0.221 3.686 -2.862 1.00 0.00 H new ATOM 239 N GLU A 146 0.580 6.683 1.133 1.00 0.00 N ATOM 240 CA GLU A 146 0.955 7.887 0.413 1.00 0.00 C ATOM 241 C GLU A 146 2.477 8.040 0.389 1.00 0.00 C ATOM 242 O GLU A 146 2.991 9.139 0.187 1.00 0.00 O ATOM 243 CB GLU A 146 0.289 9.121 1.024 1.00 0.00 C ATOM 244 CG GLU A 146 -0.889 9.591 0.167 1.00 0.00 C ATOM 245 CD GLU A 146 -0.516 10.833 -0.645 1.00 0.00 C ATOM 246 OE1 GLU A 146 0.239 10.663 -1.626 1.00 0.00 O ATOM 247 OE2 GLU A 146 -0.994 11.923 -0.265 1.00 0.00 O ATOM 0 H GLU A 146 1.273 6.355 1.805 1.00 0.00 H new ATOM 0 HA GLU A 146 0.603 7.796 -0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -0.059 8.890 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 146 1.020 9.925 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -1.195 8.791 -0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -1.743 9.814 0.807 1.00 0.00 H new ATOM 252 N ASP A 147 3.155 6.922 0.601 1.00 0.00 N ATOM 253 CA ASP A 147 4.608 6.918 0.607 1.00 0.00 C ATOM 254 C ASP A 147 5.108 5.594 1.190 1.00 0.00 C ATOM 255 O ASP A 147 4.364 4.616 1.246 1.00 0.00 O ATOM 256 CB ASP A 147 5.158 8.053 1.472 1.00 0.00 C ATOM 257 CG ASP A 147 6.132 8.995 0.762 1.00 0.00 C ATOM 258 OD1 ASP A 147 7.012 8.468 0.048 1.00 0.00 O ATOM 259 OD2 ASP A 147 5.973 10.221 0.947 1.00 0.00 O ATOM 0 H ASP A 147 2.725 6.013 0.770 1.00 0.00 H new ATOM 0 HA ASP A 147 4.950 7.049 -0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 147 4.321 8.639 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 147 5.661 7.620 2.337 1.00 0.00 H new ATOM 263 N THR A 148 6.364 5.605 1.609 1.00 0.00 N ATOM 264 CA THR A 148 6.972 4.419 2.185 1.00 0.00 C ATOM 265 C THR A 148 6.543 4.255 3.644 1.00 0.00 C ATOM 266 O THR A 148 6.032 3.205 4.030 1.00 0.00 O ATOM 267 CB THR A 148 8.488 4.529 2.006 1.00 0.00 C ATOM 268 OG1 THR A 148 8.995 3.336 2.599 1.00 0.00 O ATOM 269 CG2 THR A 148 9.097 5.651 2.849 1.00 0.00 C ATOM 0 H THR A 148 6.978 6.418 1.561 1.00 0.00 H new ATOM 0 HA THR A 148 6.635 3.516 1.676 1.00 0.00 H new ATOM 0 HB THR A 148 8.718 4.699 0.954 1.00 0.00 H new ATOM 0 HG1 THR A 148 9.972 3.324 2.526 1.00 0.00 H new ATOM 0 HG21 THR A 148 10.174 5.686 2.685 1.00 0.00 H new ATOM 0 HG22 THR A 148 8.655 6.604 2.560 1.00 0.00 H new ATOM 0 HG23 THR A 148 8.897 5.463 3.904 1.00 0.00 H new ATOM 277 N GLU A 149 6.767 5.308 4.415 1.00 0.00 N ATOM 278 CA GLU A 149 6.409 5.294 5.824 1.00 0.00 C ATOM 279 C GLU A 149 4.889 5.347 5.986 1.00 0.00 C ATOM 280 O GLU A 149 4.303 4.497 6.656 1.00 0.00 O ATOM 281 CB GLU A 149 7.081 6.448 6.571 1.00 0.00 C ATOM 282 CG GLU A 149 8.584 6.203 6.723 1.00 0.00 C ATOM 283 CD GLU A 149 9.049 6.506 8.148 1.00 0.00 C ATOM 284 OE1 GLU A 149 8.955 7.690 8.536 1.00 0.00 O ATOM 285 OE2 GLU A 149 9.487 5.546 8.818 1.00 0.00 O ATOM 0 H GLU A 149 7.192 6.177 4.091 1.00 0.00 H new ATOM 0 HA GLU A 149 6.769 4.363 6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 149 6.914 7.381 6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 149 6.626 6.562 7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 149 8.814 5.167 6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 149 9.131 6.829 6.018 1.00 0.00 H new ATOM 290 N LYS A 150 4.294 6.352 5.363 1.00 0.00 N ATOM 291 CA LYS A 150 2.853 6.527 5.429 1.00 0.00 C ATOM 292 C LYS A 150 2.176 5.501 4.518 1.00 0.00 C ATOM 293 O LYS A 150 1.935 5.774 3.343 1.00 0.00 O ATOM 294 CB LYS A 150 2.473 7.975 5.114 1.00 0.00 C ATOM 295 CG LYS A 150 2.683 8.875 6.334 1.00 0.00 C ATOM 296 CD LYS A 150 4.160 9.239 6.498 1.00 0.00 C ATOM 297 CE LYS A 150 4.707 8.722 7.831 1.00 0.00 C ATOM 298 NZ LYS A 150 4.701 9.799 8.846 1.00 0.00 N ATOM 0 H LYS A 150 4.784 7.055 4.809 1.00 0.00 H new ATOM 0 HA LYS A 150 2.493 6.341 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 150 3.074 8.339 4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 150 1.431 8.021 4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 150 2.090 9.784 6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 150 2.328 8.367 7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 150 4.736 8.815 5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 150 4.280 10.321 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 150 4.103 7.884 8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 150 5.722 8.349 7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 5.075 9.432 9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 5.296 10.587 8.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 3.728 10.136 8.989 1.00 0.00 H new ATOM 308 N GLU A 151 1.890 4.342 5.095 1.00 0.00 N ATOM 309 CA GLU A 151 1.246 3.275 4.348 1.00 0.00 C ATOM 310 C GLU A 151 0.386 2.420 5.281 1.00 0.00 C ATOM 311 O GLU A 151 0.858 1.963 6.321 1.00 0.00 O ATOM 312 CB GLU A 151 2.280 2.418 3.615 1.00 0.00 C ATOM 313 CG GLU A 151 1.607 1.258 2.878 1.00 0.00 C ATOM 314 CD GLU A 151 2.023 -0.087 3.475 1.00 0.00 C ATOM 315 OE1 GLU A 151 3.241 -0.367 3.451 1.00 0.00 O ATOM 316 OE2 GLU A 151 1.113 -0.806 3.944 1.00 0.00 O ATOM 0 H GLU A 151 2.092 4.119 6.070 1.00 0.00 H new ATOM 0 HA GLU A 151 0.597 3.723 3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 151 2.831 3.034 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 151 3.006 2.028 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 151 0.524 1.366 2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 151 1.875 1.289 1.822 1.00 0.00 H new ATOM 321 N LYS A 152 -0.860 2.228 4.875 1.00 0.00 N ATOM 322 CA LYS A 152 -1.790 1.435 5.661 1.00 0.00 C ATOM 323 C LYS A 152 -2.290 0.259 4.818 1.00 0.00 C ATOM 324 O LYS A 152 -3.080 0.445 3.894 1.00 0.00 O ATOM 325 CB LYS A 152 -2.911 2.317 6.214 1.00 0.00 C ATOM 326 CG LYS A 152 -2.956 2.254 7.742 1.00 0.00 C ATOM 327 CD LYS A 152 -4.264 2.840 8.276 1.00 0.00 C ATOM 328 CE LYS A 152 -4.276 2.849 9.806 1.00 0.00 C ATOM 329 NZ LYS A 152 -4.860 4.111 10.313 1.00 0.00 N ATOM 0 H LYS A 152 -1.248 2.608 4.011 1.00 0.00 H new ATOM 0 HA LYS A 152 -1.290 1.012 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -2.759 3.348 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -3.868 1.994 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -2.856 1.219 8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -2.111 2.803 8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -4.391 3.856 7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -5.106 2.256 7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -4.852 2.001 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -3.260 2.734 10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -4.860 4.100 11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -4.294 4.916 9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -5.836 4.205 9.967 1.00 0.00 H new ATOM 339 N ASP A 153 -1.811 -0.925 5.170 1.00 0.00 N ATOM 340 CA ASP A 153 -2.199 -2.130 4.458 1.00 0.00 C ATOM 341 C ASP A 153 -3.269 -2.870 5.264 1.00 0.00 C ATOM 342 O ASP A 153 -2.966 -3.495 6.279 1.00 0.00 O ATOM 343 CB ASP A 153 -1.007 -3.072 4.278 1.00 0.00 C ATOM 344 CG ASP A 153 -1.142 -4.426 4.977 1.00 0.00 C ATOM 345 OD1 ASP A 153 -2.133 -5.125 4.676 1.00 0.00 O ATOM 346 OD2 ASP A 153 -0.249 -4.732 5.797 1.00 0.00 O ATOM 0 H ASP A 153 -1.158 -1.075 5.939 1.00 0.00 H new ATOM 0 HA ASP A 153 -2.577 -1.836 3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -0.856 -3.244 3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -0.111 -2.575 4.651 1.00 0.00 H new ATOM 350 N LEU A 154 -4.499 -2.776 4.780 1.00 0.00 N ATOM 351 CA LEU A 154 -5.616 -3.429 5.442 1.00 0.00 C ATOM 352 C LEU A 154 -5.924 -4.748 4.731 1.00 0.00 C ATOM 353 O LEU A 154 -5.181 -5.169 3.845 1.00 0.00 O ATOM 354 CB LEU A 154 -6.814 -2.482 5.529 1.00 0.00 C ATOM 355 CG LEU A 154 -7.275 -1.860 4.209 1.00 0.00 C ATOM 356 CD1 LEU A 154 -6.568 -0.526 3.957 1.00 0.00 C ATOM 357 CD2 LEU A 154 -7.088 -2.837 3.047 1.00 0.00 C ATOM 0 H LEU A 154 -4.747 -2.258 3.937 1.00 0.00 H new ATOM 0 HA LEU A 154 -5.358 -3.675 6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -7.652 -3.027 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -6.566 -1.676 6.220 1.00 0.00 H new ATOM 0 HG LEU A 154 -8.342 -1.651 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.913 -0.104 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -6.796 0.165 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.491 -0.688 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.423 -2.370 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.034 -3.101 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -7.673 -3.738 3.231 1.00 0.00 H new ATOM 368 N ARG A 155 -7.022 -5.365 5.145 1.00 0.00 N ATOM 369 CA ARG A 155 -7.437 -6.628 4.559 1.00 0.00 C ATOM 370 C ARG A 155 -7.338 -6.563 3.034 1.00 0.00 C ATOM 371 O ARG A 155 -7.103 -5.496 2.468 1.00 0.00 O ATOM 372 CB ARG A 155 -8.874 -6.973 4.956 1.00 0.00 C ATOM 373 CG ARG A 155 -9.864 -5.971 4.358 1.00 0.00 C ATOM 374 CD ARG A 155 -10.449 -5.064 5.441 1.00 0.00 C ATOM 375 NE ARG A 155 -11.259 -5.863 6.387 1.00 0.00 N ATOM 376 CZ ARG A 155 -11.995 -5.338 7.376 1.00 0.00 C ATOM 377 NH1 ARG A 155 -12.029 -4.011 7.554 1.00 0.00 N ATOM 378 NH2 ARG A 155 -12.699 -6.141 8.186 1.00 0.00 N ATOM 0 H ARG A 155 -7.636 -5.013 5.879 1.00 0.00 H new ATOM 0 HA ARG A 155 -6.771 -7.404 4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -9.118 -7.979 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -8.964 -6.975 6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -9.362 -5.365 3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -10.668 -6.506 3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -9.646 -4.557 5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -11.066 -4.290 4.985 1.00 0.00 H new ATOM 0 HE ARG A 155 -11.257 -6.877 6.279 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -11.495 -3.400 6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -12.589 -3.612 8.307 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -12.674 -7.152 8.050 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -13.259 -5.742 8.939 1.00 0.00 H new ATOM 389 N ASP A 156 -7.523 -7.716 2.411 1.00 0.00 N ATOM 390 CA ASP A 156 -7.458 -7.805 0.963 1.00 0.00 C ATOM 391 C ASP A 156 -6.036 -7.482 0.499 1.00 0.00 C ATOM 392 O ASP A 156 -5.773 -7.403 -0.699 1.00 0.00 O ATOM 393 CB ASP A 156 -8.408 -6.801 0.306 1.00 0.00 C ATOM 394 CG ASP A 156 -8.895 -7.189 -1.091 1.00 0.00 C ATOM 395 OD1 ASP A 156 -9.087 -8.405 -1.308 1.00 0.00 O ATOM 396 OD2 ASP A 156 -9.065 -6.261 -1.911 1.00 0.00 O ATOM 0 H ASP A 156 -7.718 -8.599 2.883 1.00 0.00 H new ATOM 0 HA ASP A 156 -7.745 -8.816 0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -9.275 -6.668 0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -7.906 -5.836 0.244 1.00 0.00 H new ATOM 400 N VAL A 157 -5.157 -7.305 1.475 1.00 0.00 N ATOM 401 CA VAL A 157 -3.768 -6.993 1.182 1.00 0.00 C ATOM 402 C VAL A 157 -3.371 -7.647 -0.143 1.00 0.00 C ATOM 403 O VAL A 157 -3.016 -6.957 -1.098 1.00 0.00 O ATOM 404 CB VAL A 157 -2.878 -7.421 2.351 1.00 0.00 C ATOM 405 CG1 VAL A 157 -3.709 -8.053 3.470 1.00 0.00 C ATOM 406 CG2 VAL A 157 -1.777 -8.374 1.881 1.00 0.00 C ATOM 0 H VAL A 157 -5.379 -7.372 2.468 1.00 0.00 H new ATOM 0 HA VAL A 157 -3.634 -5.917 1.066 1.00 0.00 H new ATOM 0 HB VAL A 157 -2.399 -6.528 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -3.052 -8.348 4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -4.439 -7.330 3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -4.228 -8.931 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 157 -1.159 -8.663 2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -2.229 -9.263 1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -1.158 -7.875 1.135 1.00 0.00 H new ATOM 416 N GLY A 158 -3.443 -8.970 -0.158 1.00 0.00 N ATOM 417 CA GLY A 158 -3.096 -9.724 -1.350 1.00 0.00 C ATOM 418 C GLY A 158 -1.849 -9.145 -2.022 1.00 0.00 C ATOM 419 O GLY A 158 -0.870 -8.824 -1.350 1.00 0.00 O ATOM 0 H GLY A 158 -3.736 -9.539 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -2.920 -10.767 -1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -3.931 -9.709 -2.050 1.00 0.00 H new ATOM 423 N ASP A 159 -1.926 -9.028 -3.340 1.00 0.00 N ATOM 424 CA ASP A 159 -0.816 -8.493 -4.109 1.00 0.00 C ATOM 425 C ASP A 159 -0.639 -7.009 -3.778 1.00 0.00 C ATOM 426 O ASP A 159 0.471 -6.559 -3.499 1.00 0.00 O ATOM 427 CB ASP A 159 -1.079 -8.614 -5.611 1.00 0.00 C ATOM 428 CG ASP A 159 -0.371 -9.784 -6.299 1.00 0.00 C ATOM 429 OD1 ASP A 159 -0.820 -10.929 -6.076 1.00 0.00 O ATOM 430 OD2 ASP A 159 0.603 -9.506 -7.031 1.00 0.00 O ATOM 0 H ASP A 159 -2.740 -9.295 -3.894 1.00 0.00 H new ATOM 0 HA ASP A 159 0.078 -9.062 -3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -2.153 -8.714 -5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -0.771 -7.687 -6.095 1.00 0.00 H new ATOM 434 N TRP A 160 -1.752 -6.290 -3.820 1.00 0.00 N ATOM 435 CA TRP A 160 -1.734 -4.867 -3.530 1.00 0.00 C ATOM 436 C TRP A 160 -0.709 -4.624 -2.419 1.00 0.00 C ATOM 437 O TRP A 160 0.172 -3.778 -2.558 1.00 0.00 O ATOM 438 CB TRP A 160 -3.134 -4.363 -3.171 1.00 0.00 C ATOM 439 CG TRP A 160 -3.235 -3.747 -1.774 1.00 0.00 C ATOM 440 CD1 TRP A 160 -3.806 -4.271 -0.681 1.00 0.00 C ATOM 441 CD2 TRP A 160 -2.725 -2.461 -1.362 1.00 0.00 C ATOM 442 NE1 TRP A 160 -3.702 -3.421 0.401 1.00 0.00 N ATOM 443 CE2 TRP A 160 -3.024 -2.285 -0.027 1.00 0.00 C ATOM 444 CE3 TRP A 160 -2.033 -1.480 -2.094 1.00 0.00 C ATOM 445 CZ2 TRP A 160 -2.670 -1.138 0.692 1.00 0.00 C ATOM 446 CZ3 TRP A 160 -1.687 -0.340 -1.361 1.00 0.00 C ATOM 447 CH2 TRP A 160 -1.980 -0.147 -0.016 1.00 0.00 C ATOM 0 H TRP A 160 -2.671 -6.667 -4.050 1.00 0.00 H new ATOM 0 HA TRP A 160 -1.436 -4.298 -4.410 1.00 0.00 H new ATOM 0 HB2 TRP A 160 -3.441 -3.620 -3.907 1.00 0.00 H new ATOM 0 HB3 TRP A 160 -3.837 -5.193 -3.243 1.00 0.00 H new ATOM 0 HD1 TRP A 160 -4.287 -5.237 -0.651 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -4.057 -3.594 1.341 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -1.788 -1.597 -3.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.916 -1.023 1.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -1.155 0.446 -1.876 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -1.677 0.763 0.480 1.00 0.00 H new ATOM 457 N ARG A 161 -0.860 -5.382 -1.343 1.00 0.00 N ATOM 458 CA ARG A 161 0.041 -5.260 -0.210 1.00 0.00 C ATOM 459 C ARG A 161 1.448 -5.720 -0.599 1.00 0.00 C ATOM 460 O ARG A 161 2.379 -4.917 -0.635 1.00 0.00 O ATOM 461 CB ARG A 161 -0.450 -6.091 0.977 1.00 0.00 C ATOM 462 CG ARG A 161 -0.137 -5.393 2.302 1.00 0.00 C ATOM 463 CD ARG A 161 0.608 -6.332 3.253 1.00 0.00 C ATOM 464 NE ARG A 161 1.565 -5.561 4.078 1.00 0.00 N ATOM 465 CZ ARG A 161 2.379 -6.107 4.992 1.00 0.00 C ATOM 466 NH1 ARG A 161 2.357 -7.430 5.204 1.00 0.00 N ATOM 467 NH2 ARG A 161 3.214 -5.330 5.695 1.00 0.00 N ATOM 0 H ARG A 161 -1.593 -6.083 -1.232 1.00 0.00 H new ATOM 0 HA ARG A 161 0.066 -4.210 0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -1.525 -6.253 0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 161 0.023 -7.073 0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 161 0.466 -4.505 2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 161 -1.063 -5.057 2.768 1.00 0.00 H new ATOM 0 HD2 ARG A 161 -0.103 -6.851 3.896 1.00 0.00 H new ATOM 0 HD3 ARG A 161 1.139 -7.095 2.683 1.00 0.00 H new ATOM 0 HE ARG A 161 1.608 -4.551 3.942 1.00 0.00 H new ATOM 0 HH11 ARG A 161 1.721 -8.022 4.670 1.00 0.00 H new ATOM 0 HH12 ARG A 161 2.977 -7.845 5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 161 3.230 -4.323 5.535 1.00 0.00 H new ATOM 0 HH22 ARG A 161 3.833 -5.746 6.391 1.00 0.00 H new ATOM 478 N LYS A 162 1.558 -7.009 -0.879 1.00 0.00 N ATOM 479 CA LYS A 162 2.835 -7.586 -1.263 1.00 0.00 C ATOM 480 C LYS A 162 3.663 -6.532 -2.002 1.00 0.00 C ATOM 481 O LYS A 162 4.886 -6.494 -1.870 1.00 0.00 O ATOM 482 CB LYS A 162 2.623 -8.872 -2.064 1.00 0.00 C ATOM 483 CG LYS A 162 3.818 -9.817 -1.910 1.00 0.00 C ATOM 484 CD LYS A 162 4.548 -9.998 -3.241 1.00 0.00 C ATOM 485 CE LYS A 162 3.632 -10.639 -4.286 1.00 0.00 C ATOM 486 NZ LYS A 162 4.417 -11.073 -5.466 1.00 0.00 N ATOM 0 H LYS A 162 0.783 -7.672 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 162 3.402 -7.878 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 162 1.715 -9.370 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 162 2.480 -8.630 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 162 4.507 -9.420 -1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 162 3.476 -10.785 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 162 4.897 -9.031 -3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 162 5.430 -10.621 -3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 162 3.116 -11.494 -3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 162 2.866 -9.927 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 3.781 -11.506 -6.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 4.890 -10.250 -5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 5.132 -11.768 -5.171 1.00 0.00 H new ATOM 496 N ASN A 163 2.964 -5.703 -2.762 1.00 0.00 N ATOM 497 CA ASN A 163 3.619 -4.651 -3.522 1.00 0.00 C ATOM 498 C ASN A 163 4.076 -3.547 -2.567 1.00 0.00 C ATOM 499 O ASN A 163 5.269 -3.262 -2.465 1.00 0.00 O ATOM 500 CB ASN A 163 2.663 -4.029 -4.541 1.00 0.00 C ATOM 501 CG ASN A 163 2.594 -4.873 -5.815 1.00 0.00 C ATOM 502 OD1 ASN A 163 3.583 -5.400 -6.296 1.00 0.00 O ATOM 503 ND2 ASN A 163 1.373 -4.972 -6.333 1.00 0.00 N ATOM 0 H ASN A 163 1.950 -5.738 -2.868 1.00 0.00 H new ATOM 0 HA ASN A 163 4.466 -5.093 -4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 163 1.668 -3.941 -4.105 1.00 0.00 H new ATOM 0 HB3 ASN A 163 2.994 -3.020 -4.787 1.00 0.00 H new ATOM 0 HD21 ASN A 163 1.222 -5.515 -7.183 1.00 0.00 H new ATOM 0 HD22 ASN A 163 0.587 -4.505 -5.880 1.00 0.00 H new ATOM 509 N ILE A 164 3.104 -2.954 -1.889 1.00 0.00 N ATOM 510 CA ILE A 164 3.391 -1.888 -0.945 1.00 0.00 C ATOM 511 C ILE A 164 3.922 -2.493 0.356 1.00 0.00 C ATOM 512 O ILE A 164 4.051 -1.796 1.361 1.00 0.00 O ATOM 513 CB ILE A 164 2.160 -0.999 -0.752 1.00 0.00 C ATOM 514 CG1 ILE A 164 0.978 -1.808 -0.213 1.00 0.00 C ATOM 515 CG2 ILE A 164 1.809 -0.261 -2.045 1.00 0.00 C ATOM 516 CD1 ILE A 164 1.300 -2.399 1.160 1.00 0.00 C ATOM 0 H ILE A 164 2.116 -3.192 -1.975 1.00 0.00 H new ATOM 0 HA ILE A 164 4.171 -1.234 -1.334 1.00 0.00 H new ATOM 0 HB ILE A 164 2.398 -0.242 -0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 164 0.098 -1.169 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 164 0.733 -2.610 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 164 0.931 0.364 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 164 2.649 0.366 -2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 164 1.597 -0.985 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 164 0.444 -2.969 1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 164 2.166 -3.056 1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 164 1.520 -1.593 1.860 1.00 0.00 H new ATOM 527 N GLU A 165 4.217 -3.784 0.293 1.00 0.00 N ATOM 528 CA GLU A 165 4.732 -4.490 1.454 1.00 0.00 C ATOM 529 C GLU A 165 6.139 -5.021 1.170 1.00 0.00 C ATOM 530 O GLU A 165 6.911 -5.268 2.095 1.00 0.00 O ATOM 531 CB GLU A 165 3.792 -5.624 1.867 1.00 0.00 C ATOM 532 CG GLU A 165 4.427 -6.989 1.597 1.00 0.00 C ATOM 533 CD GLU A 165 5.473 -7.327 2.662 1.00 0.00 C ATOM 534 OE1 GLU A 165 5.493 -6.611 3.686 1.00 0.00 O ATOM 535 OE2 GLU A 165 6.229 -8.295 2.428 1.00 0.00 O ATOM 0 H GLU A 165 4.109 -4.358 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 165 4.790 -3.788 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 165 3.552 -5.534 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 165 2.853 -5.541 1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 165 3.654 -7.758 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 165 4.893 -6.989 0.612 1.00 0.00 H new ATOM 540 N GLU A 166 6.429 -5.180 -0.112 1.00 0.00 N ATOM 541 CA GLU A 166 7.729 -5.678 -0.529 1.00 0.00 C ATOM 542 C GLU A 166 8.647 -4.513 -0.907 1.00 0.00 C ATOM 543 O GLU A 166 9.733 -4.365 -0.348 1.00 0.00 O ATOM 544 CB GLU A 166 7.593 -6.667 -1.687 1.00 0.00 C ATOM 545 CG GLU A 166 8.935 -7.333 -2.001 1.00 0.00 C ATOM 546 CD GLU A 166 8.750 -8.821 -2.302 1.00 0.00 C ATOM 547 OE1 GLU A 166 8.542 -9.138 -3.493 1.00 0.00 O ATOM 548 OE2 GLU A 166 8.821 -9.610 -1.334 1.00 0.00 O ATOM 0 H GLU A 166 5.786 -4.973 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 166 8.177 -6.212 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 166 6.855 -7.429 -1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 166 7.225 -6.148 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 166 9.399 -6.840 -2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 166 9.613 -7.211 -1.156 1.00 0.00 H new ATOM 553 N LYS A 167 8.176 -3.715 -1.854 1.00 0.00 N ATOM 554 CA LYS A 167 8.940 -2.567 -2.314 1.00 0.00 C ATOM 555 C LYS A 167 8.709 -1.391 -1.364 1.00 0.00 C ATOM 556 O LYS A 167 9.618 -0.602 -1.113 1.00 0.00 O ATOM 557 CB LYS A 167 8.608 -2.253 -3.774 1.00 0.00 C ATOM 558 CG LYS A 167 7.097 -2.119 -3.976 1.00 0.00 C ATOM 559 CD LYS A 167 6.782 -1.244 -5.191 1.00 0.00 C ATOM 560 CE LYS A 167 5.481 -0.465 -4.983 1.00 0.00 C ATOM 561 NZ LYS A 167 5.019 0.122 -6.261 1.00 0.00 N ATOM 0 H LYS A 167 7.275 -3.840 -2.315 1.00 0.00 H new ATOM 0 HA LYS A 167 10.007 -2.787 -2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 167 9.102 -1.328 -4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 167 8.996 -3.043 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 167 6.655 -3.106 -4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 167 6.644 -1.686 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 167 7.603 -0.548 -5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 167 6.698 -1.868 -6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 167 4.714 -1.127 -4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 167 5.637 0.325 -4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 4.135 0.647 -6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 5.745 0.769 -6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 4.851 -0.638 -6.951 1.00 0.00 H new ATOM 571 N SER A 168 7.486 -1.311 -0.859 1.00 0.00 N ATOM 572 CA SER A 168 7.123 -0.245 0.059 1.00 0.00 C ATOM 573 C SER A 168 7.099 -0.775 1.493 1.00 0.00 C ATOM 574 O SER A 168 6.055 -0.770 2.144 1.00 0.00 O ATOM 575 CB SER A 168 5.766 0.358 -0.307 1.00 0.00 C ATOM 576 OG SER A 168 5.579 0.439 -1.717 1.00 0.00 O ATOM 0 H SER A 168 6.734 -1.968 -1.069 1.00 0.00 H new ATOM 0 HA SER A 168 7.873 0.543 -0.018 1.00 0.00 H new ATOM 0 HB2 SER A 168 4.971 -0.247 0.130 1.00 0.00 H new ATOM 0 HB3 SER A 168 5.683 1.354 0.127 1.00 0.00 H new ATOM 0 HG SER A 168 4.778 0.969 -1.911 1.00 0.00 H new ATOM 581 N GLY A 169 8.262 -1.221 1.946 1.00 0.00 N ATOM 582 CA GLY A 169 8.388 -1.753 3.293 1.00 0.00 C ATOM 583 C GLY A 169 9.855 -1.991 3.653 1.00 0.00 C ATOM 584 O GLY A 169 10.459 -1.194 4.370 1.00 0.00 O ATOM 0 H GLY A 169 9.126 -1.225 1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 169 7.943 -1.058 4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 169 7.834 -2.688 3.372 1.00 0.00 H new