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= -0.318 F(o=-1.8,f=-0.32) USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN : amide:sc= -0.842 K(o=-0.84,f=-1.9!) USER MOD Single : A 142 GLN :FLIP amide:sc= -0.925 F(o=-1.8!,f=-0.92) 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= 0.0392 X(o=0.039,f=0) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 180:sc= -0.0243 USER MOD ----------------------------------------------------------------- ATOM 19 N VAL A 132 -16.606 -6.207 13.875 1.00 0.00 N ATOM 20 CA VAL A 132 -17.056 -4.899 13.429 1.00 0.00 C ATOM 21 C VAL A 132 -15.860 -3.946 13.371 1.00 0.00 C ATOM 22 O VAL A 132 -15.462 -3.509 12.293 1.00 0.00 O ATOM 23 CB VAL A 132 -18.180 -4.394 14.336 1.00 0.00 C ATOM 24 CG1 VAL A 132 -18.541 -2.945 14.005 1.00 0.00 C ATOM 25 CG2 VAL A 132 -19.409 -5.301 14.243 1.00 0.00 C ATOM 0 HA VAL A 132 -17.472 -4.961 12.423 1.00 0.00 H new ATOM 0 HB VAL A 132 -17.820 -4.423 15.364 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -19.342 -2.610 14.664 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -17.666 -2.311 14.146 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -18.872 -2.880 12.969 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -20.193 -4.920 14.897 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -19.771 -5.319 13.215 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -19.140 -6.311 14.550 1.00 0.00 H new ATOM 35 N ASN A 133 -15.321 -3.652 14.546 1.00 0.00 N ATOM 36 CA ASN A 133 -14.179 -2.759 14.642 1.00 0.00 C ATOM 37 C ASN A 133 -13.254 -2.991 13.446 1.00 0.00 C ATOM 38 O ASN A 133 -12.621 -2.056 12.956 1.00 0.00 O ATOM 39 CB ASN A 133 -13.379 -3.023 15.918 1.00 0.00 C ATOM 40 CG ASN A 133 -13.660 -4.428 16.460 1.00 0.00 C ATOM 41 OD1 ASN A 133 -13.148 -5.405 15.719 1.00 0.00 O flip ATOM 42 ND2 ASN A 133 -14.299 -4.609 17.483 1.00 0.00 N flip ATOM 0 H ASN A 133 -15.654 -4.016 15.439 1.00 0.00 H new ATOM 0 HA ASN A 133 -14.552 -1.735 14.657 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -12.314 -2.915 15.713 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -13.636 -2.280 16.673 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -14.664 -3.812 18.004 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -14.468 -5.558 17.817 1.00 0.00 H new ATOM 48 N MET A 134 -13.203 -4.241 13.011 1.00 0.00 N ATOM 49 CA MET A 134 -12.366 -4.607 11.882 1.00 0.00 C ATOM 50 C MET A 134 -12.907 -4.012 10.581 1.00 0.00 C ATOM 51 O MET A 134 -12.222 -3.239 9.914 1.00 0.00 O ATOM 52 CB MET A 134 -12.308 -6.131 11.762 1.00 0.00 C ATOM 53 CG MET A 134 -10.897 -6.651 12.043 1.00 0.00 C ATOM 54 SD MET A 134 -10.739 -8.333 11.467 1.00 0.00 S ATOM 55 CE MET A 134 -9.050 -8.305 10.889 1.00 0.00 C ATOM 0 H MET A 134 -13.728 -5.014 13.421 1.00 0.00 H new ATOM 0 HA MET A 134 -11.366 -4.209 12.052 1.00 0.00 H new ATOM 0 HB2 MET A 134 -13.011 -6.581 12.462 1.00 0.00 H new ATOM 0 HB3 MET A 134 -12.618 -6.432 10.761 1.00 0.00 H new ATOM 0 HG2 MET A 134 -10.162 -6.018 11.547 1.00 0.00 H new ATOM 0 HG3 MET A 134 -10.689 -6.603 13.112 1.00 0.00 H new ATOM 0 HE1 MET A 134 -8.785 -9.285 10.493 1.00 0.00 H new ATOM 0 HE2 MET A 134 -8.947 -7.556 10.104 1.00 0.00 H new ATOM 0 HE3 MET A 134 -8.386 -8.056 11.717 1.00 0.00 H new ATOM 63 N ASP A 135 -14.134 -4.396 10.258 1.00 0.00 N ATOM 64 CA ASP A 135 -14.776 -3.910 9.049 1.00 0.00 C ATOM 65 C ASP A 135 -14.820 -2.382 9.079 1.00 0.00 C ATOM 66 O ASP A 135 -14.938 -1.739 8.035 1.00 0.00 O ATOM 67 CB ASP A 135 -16.215 -4.422 8.945 1.00 0.00 C ATOM 68 CG ASP A 135 -16.442 -5.501 7.883 1.00 0.00 C ATOM 69 OD1 ASP A 135 -15.433 -5.927 7.283 1.00 0.00 O ATOM 70 OD2 ASP A 135 -17.620 -5.873 7.696 1.00 0.00 O ATOM 0 H ASP A 135 -14.700 -5.038 10.813 1.00 0.00 H new ATOM 0 HA ASP A 135 -14.202 -4.270 8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -16.514 -4.819 9.915 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -16.870 -3.578 8.730 1.00 0.00 H new ATOM 74 N LEU A 136 -14.724 -1.842 10.286 1.00 0.00 N ATOM 75 CA LEU A 136 -14.752 -0.399 10.465 1.00 0.00 C ATOM 76 C LEU A 136 -13.441 0.199 9.950 1.00 0.00 C ATOM 77 O LEU A 136 -13.422 0.858 8.912 1.00 0.00 O ATOM 78 CB LEU A 136 -15.058 -0.047 11.921 1.00 0.00 C ATOM 79 CG LEU A 136 -15.123 1.446 12.250 1.00 0.00 C ATOM 80 CD1 LEU A 136 -16.466 1.810 12.886 1.00 0.00 C ATOM 81 CD2 LEU A 136 -13.941 1.865 13.128 1.00 0.00 C ATOM 0 H LEU A 136 -14.627 -2.377 11.149 1.00 0.00 H new ATOM 0 HA LEU A 136 -15.557 0.043 9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -16.012 -0.500 12.191 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -14.297 -0.505 12.553 1.00 0.00 H new ATOM 0 HG LEU A 136 -15.047 2.005 11.317 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -16.485 2.877 13.110 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -17.273 1.570 12.194 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -16.597 1.243 13.808 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -14.011 2.930 13.348 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -13.962 1.300 14.060 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -13.008 1.663 12.602 1.00 0.00 H new ATOM 92 N ARG A 137 -12.378 -0.053 10.699 1.00 0.00 N ATOM 93 CA ARG A 137 -11.066 0.452 10.331 1.00 0.00 C ATOM 94 C ARG A 137 -10.796 0.197 8.847 1.00 0.00 C ATOM 95 O ARG A 137 -10.531 1.130 8.090 1.00 0.00 O ATOM 96 CB ARG A 137 -9.967 -0.211 11.164 1.00 0.00 C ATOM 97 CG ARG A 137 -10.203 0.011 12.658 1.00 0.00 C ATOM 98 CD ARG A 137 -8.888 -0.055 13.438 1.00 0.00 C ATOM 99 NE ARG A 137 -9.106 0.371 14.838 1.00 0.00 N ATOM 100 CZ ARG A 137 -9.556 -0.439 15.807 1.00 0.00 C ATOM 101 NH1 ARG A 137 -9.837 -1.719 15.534 1.00 0.00 N ATOM 102 NH2 ARG A 137 -9.724 0.035 17.049 1.00 0.00 N ATOM 0 H ARG A 137 -12.398 -0.600 11.559 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.057 1.524 10.526 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -9.939 -1.280 10.951 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.996 0.196 10.881 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -10.674 0.981 12.815 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -10.893 -0.743 13.037 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -8.494 -1.071 13.416 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -8.144 0.586 12.966 1.00 0.00 H new ATOM 0 HE ARG A 137 -8.901 1.340 15.081 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -9.709 -2.079 14.588 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -10.179 -2.335 16.272 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -9.510 1.011 17.256 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -10.066 -0.580 17.788 1.00 0.00 H new ATOM 113 N ALA A 138 -10.874 -1.072 8.473 1.00 0.00 N ATOM 114 CA ALA A 138 -10.640 -1.462 7.093 1.00 0.00 C ATOM 115 C ALA A 138 -11.501 -0.597 6.171 1.00 0.00 C ATOM 116 O ALA A 138 -10.979 0.108 5.309 1.00 0.00 O ATOM 117 CB ALA A 138 -10.929 -2.955 6.928 1.00 0.00 C ATOM 0 H ALA A 138 -11.096 -1.844 9.102 1.00 0.00 H new ATOM 0 HA ALA A 138 -9.597 -1.300 6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -10.753 -3.247 5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -10.272 -3.527 7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -11.968 -3.156 7.190 1.00 0.00 H new ATOM 123 N ASN A 139 -12.806 -0.678 6.384 1.00 0.00 N ATOM 124 CA ASN A 139 -13.744 0.089 5.582 1.00 0.00 C ATOM 125 C ASN A 139 -13.227 1.521 5.430 1.00 0.00 C ATOM 126 O ASN A 139 -13.455 2.162 4.405 1.00 0.00 O ATOM 127 CB ASN A 139 -15.118 0.152 6.253 1.00 0.00 C ATOM 128 CG ASN A 139 -15.991 1.235 5.614 1.00 0.00 C ATOM 129 OD1 ASN A 139 -15.889 1.536 4.436 1.00 0.00 O ATOM 130 ND2 ASN A 139 -16.852 1.801 6.455 1.00 0.00 N ATOM 0 H ASN A 139 -13.236 -1.263 7.100 1.00 0.00 H new ATOM 0 HA ASN A 139 -13.837 -0.400 4.612 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -15.613 -0.816 6.169 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -14.998 0.357 7.317 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -17.479 2.535 6.126 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -16.885 1.501 7.429 1.00 0.00 H new ATOM 136 N LEU A 140 -12.540 1.982 6.466 1.00 0.00 N ATOM 137 CA LEU A 140 -11.988 3.325 6.459 1.00 0.00 C ATOM 138 C LEU A 140 -10.760 3.363 5.548 1.00 0.00 C ATOM 139 O LEU A 140 -10.849 3.791 4.398 1.00 0.00 O ATOM 140 CB LEU A 140 -11.708 3.796 7.889 1.00 0.00 C ATOM 141 CG LEU A 140 -12.466 5.045 8.343 1.00 0.00 C ATOM 142 CD1 LEU A 140 -11.878 6.306 7.707 1.00 0.00 C ATOM 143 CD2 LEU A 140 -13.965 4.909 8.065 1.00 0.00 C ATOM 0 H LEU A 140 -12.354 1.449 7.315 1.00 0.00 H new ATOM 0 HA LEU A 140 -12.710 4.032 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -11.947 2.981 8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -10.639 3.989 7.984 1.00 0.00 H new ATOM 0 HG LEU A 140 -12.346 5.143 9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -12.436 7.179 8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -10.833 6.407 7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -11.946 6.232 6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -14.480 5.810 8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -14.126 4.773 6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -14.358 4.047 8.604 1.00 0.00 H new ATOM 172 N GLN A 142 -8.862 1.192 3.699 1.00 0.00 N ATOM 173 CA GLN A 142 -9.143 0.669 2.373 1.00 0.00 C ATOM 174 C GLN A 142 -7.915 0.816 1.472 1.00 0.00 C ATOM 175 O GLN A 142 -7.951 1.543 0.481 1.00 0.00 O ATOM 176 CB GLN A 142 -10.360 1.362 1.758 1.00 0.00 C ATOM 177 CG GLN A 142 -11.618 0.505 1.917 1.00 0.00 C ATOM 178 CD GLN A 142 -11.476 -0.820 1.166 1.00 0.00 C ATOM 179 OE1 GLN A 142 -11.006 -1.816 1.910 1.00 0.00 O flip ATOM 180 NE2 GLN A 142 -11.777 -0.931 -0.012 1.00 0.00 N flip ATOM 0 HA GLN A 142 -9.377 -0.392 2.464 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -10.512 2.330 2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -10.178 1.554 0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -11.799 0.311 2.974 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -12.484 1.050 1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -12.133 -0.125 -0.526 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -11.673 -1.830 -0.482 1.00 0.00 H new ATOM 187 N VAL A 143 -6.856 0.115 1.851 1.00 0.00 N ATOM 188 CA VAL A 143 -5.619 0.158 1.089 1.00 0.00 C ATOM 189 C VAL A 143 -5.335 1.602 0.668 1.00 0.00 C ATOM 190 O VAL A 143 -5.821 2.057 -0.367 1.00 0.00 O ATOM 191 CB VAL A 143 -5.700 -0.806 -0.095 1.00 0.00 C ATOM 192 CG1 VAL A 143 -7.151 -1.195 -0.389 1.00 0.00 C ATOM 193 CG2 VAL A 143 -5.030 -0.209 -1.335 1.00 0.00 C ATOM 0 H VAL A 143 -6.829 -0.485 2.675 1.00 0.00 H new ATOM 0 HA VAL A 143 -4.780 -0.173 1.702 1.00 0.00 H new ATOM 0 HB VAL A 143 -5.159 -1.713 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -7.179 -1.881 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -7.582 -1.681 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -7.726 -0.300 -0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -5.102 -0.915 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.530 0.721 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -3.981 -0.007 -1.120 1.00 0.00 H new ATOM 203 N LYS A 144 -4.549 2.280 1.491 1.00 0.00 N ATOM 204 CA LYS A 144 -4.195 3.663 1.215 1.00 0.00 C ATOM 205 C LYS A 144 -2.768 3.925 1.700 1.00 0.00 C ATOM 206 O LYS A 144 -2.346 3.385 2.722 1.00 0.00 O ATOM 207 CB LYS A 144 -5.233 4.612 1.818 1.00 0.00 C ATOM 208 CG LYS A 144 -5.438 4.327 3.307 1.00 0.00 C ATOM 209 CD LYS A 144 -4.996 5.519 4.159 1.00 0.00 C ATOM 210 CE LYS A 144 -6.201 6.218 4.791 1.00 0.00 C ATOM 211 NZ LYS A 144 -5.913 6.580 6.197 1.00 0.00 N ATOM 0 H LYS A 144 -4.148 1.899 2.348 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.208 3.853 0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -4.909 5.644 1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -6.180 4.504 1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -6.489 4.109 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -4.871 3.441 3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -4.317 5.180 4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -4.443 6.227 3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -6.448 7.114 4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -7.072 5.563 4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -6.742 7.053 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -5.699 5.719 6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -5.095 7.222 6.230 1.00 0.00 H new ATOM 221 N LYS A 145 -2.064 4.753 0.943 1.00 0.00 N ATOM 222 CA LYS A 145 -0.692 5.094 1.283 1.00 0.00 C ATOM 223 C LYS A 145 -0.236 6.274 0.423 1.00 0.00 C ATOM 224 O LYS A 145 -0.859 6.584 -0.591 1.00 0.00 O ATOM 225 CB LYS A 145 0.211 3.864 1.167 1.00 0.00 C ATOM 226 CG LYS A 145 0.369 3.437 -0.294 1.00 0.00 C ATOM 227 CD LYS A 145 1.811 3.013 -0.587 1.00 0.00 C ATOM 228 CE LYS A 145 2.324 3.668 -1.871 1.00 0.00 C ATOM 229 NZ LYS A 145 3.683 4.217 -1.665 1.00 0.00 N ATOM 0 H LYS A 145 -2.417 5.198 0.096 1.00 0.00 H new ATOM 0 HA LYS A 145 -0.626 5.412 2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 145 1.190 4.085 1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -0.211 3.043 1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 145 -0.308 2.611 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 145 0.087 4.261 -0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 145 2.453 3.291 0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 145 1.863 1.928 -0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 145 2.340 2.936 -2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 145 1.646 4.465 -2.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 4.016 4.658 -2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 3.658 4.930 -0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 4.331 3.449 -1.396 1.00 0.00 H new ATOM 239 N GLU A 146 0.847 6.900 0.860 1.00 0.00 N ATOM 240 CA GLU A 146 1.394 8.039 0.143 1.00 0.00 C ATOM 241 C GLU A 146 2.919 8.056 0.257 1.00 0.00 C ATOM 242 O GLU A 146 3.556 9.067 -0.037 1.00 0.00 O ATOM 243 CB GLU A 146 0.791 9.349 0.654 1.00 0.00 C ATOM 244 CG GLU A 146 -0.253 9.892 -0.325 1.00 0.00 C ATOM 245 CD GLU A 146 -1.053 11.034 0.305 1.00 0.00 C ATOM 246 OE1 GLU A 146 -1.972 10.716 1.091 1.00 0.00 O ATOM 247 OE2 GLU A 146 -0.730 12.198 -0.014 1.00 0.00 O ATOM 0 H GLU A 146 1.360 6.640 1.702 1.00 0.00 H new ATOM 0 HA GLU A 146 1.130 7.942 -0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.331 9.186 1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 146 1.581 10.087 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 146 0.241 10.245 -1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -0.929 9.091 -0.623 1.00 0.00 H new ATOM 252 N ASP A 147 3.461 6.925 0.683 1.00 0.00 N ATOM 253 CA ASP A 147 4.900 6.797 0.839 1.00 0.00 C ATOM 254 C ASP A 147 5.212 5.522 1.625 1.00 0.00 C ATOM 255 O ASP A 147 4.390 4.608 1.683 1.00 0.00 O ATOM 256 CB ASP A 147 5.477 7.983 1.615 1.00 0.00 C ATOM 257 CG ASP A 147 6.656 8.685 0.938 1.00 0.00 C ATOM 258 OD1 ASP A 147 7.455 7.966 0.300 1.00 0.00 O ATOM 259 OD2 ASP A 147 6.733 9.925 1.075 1.00 0.00 O ATOM 0 H ASP A 147 2.930 6.089 0.925 1.00 0.00 H new ATOM 0 HA ASP A 147 5.346 6.765 -0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 147 4.684 8.712 1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 147 5.796 7.635 2.597 1.00 0.00 H new ATOM 263 N THR A 148 6.401 5.502 2.211 1.00 0.00 N ATOM 264 CA THR A 148 6.831 4.352 2.990 1.00 0.00 C ATOM 265 C THR A 148 6.414 4.515 4.453 1.00 0.00 C ATOM 266 O THR A 148 5.963 3.561 5.083 1.00 0.00 O ATOM 267 CB THR A 148 8.341 4.193 2.802 1.00 0.00 C ATOM 268 OG1 THR A 148 8.660 3.016 3.540 1.00 0.00 O ATOM 269 CG2 THR A 148 9.138 5.298 3.501 1.00 0.00 C ATOM 0 H THR A 148 7.079 6.262 2.162 1.00 0.00 H new ATOM 0 HA THR A 148 6.348 3.437 2.647 1.00 0.00 H new ATOM 0 HB THR A 148 8.576 4.193 1.738 1.00 0.00 H new ATOM 0 HG1 THR A 148 9.621 2.837 3.471 1.00 0.00 H new ATOM 0 HG21 THR A 148 10.204 5.138 3.336 1.00 0.00 H new ATOM 0 HG22 THR A 148 8.850 6.267 3.095 1.00 0.00 H new ATOM 0 HG23 THR A 148 8.929 5.276 4.571 1.00 0.00 H new ATOM 277 N GLU A 149 6.581 5.731 4.951 1.00 0.00 N ATOM 278 CA GLU A 149 6.228 6.032 6.328 1.00 0.00 C ATOM 279 C GLU A 149 4.773 6.498 6.414 1.00 0.00 C ATOM 280 O GLU A 149 4.411 7.254 7.313 1.00 0.00 O ATOM 281 CB GLU A 149 7.174 7.077 6.921 1.00 0.00 C ATOM 282 CG GLU A 149 7.019 8.423 6.212 1.00 0.00 C ATOM 283 CD GLU A 149 8.371 9.121 6.056 1.00 0.00 C ATOM 284 OE1 GLU A 149 9.139 8.682 5.173 1.00 0.00 O ATOM 285 OE2 GLU A 149 8.608 10.077 6.826 1.00 0.00 O ATOM 0 H GLU A 149 6.956 6.520 4.425 1.00 0.00 H new ATOM 0 HA GLU A 149 6.332 5.120 6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 149 6.968 7.197 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 149 8.204 6.732 6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 149 6.569 8.271 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 149 6.340 9.060 6.779 1.00 0.00 H new ATOM 290 N LYS A 150 3.978 6.026 5.465 1.00 0.00 N ATOM 291 CA LYS A 150 2.570 6.384 5.422 1.00 0.00 C ATOM 292 C LYS A 150 1.815 5.365 4.566 1.00 0.00 C ATOM 293 O LYS A 150 1.242 5.718 3.535 1.00 0.00 O ATOM 294 CB LYS A 150 2.400 7.830 4.951 1.00 0.00 C ATOM 295 CG LYS A 150 2.425 8.799 6.135 1.00 0.00 C ATOM 296 CD LYS A 150 3.658 9.703 6.078 1.00 0.00 C ATOM 297 CE LYS A 150 3.510 10.763 4.984 1.00 0.00 C ATOM 298 NZ LYS A 150 3.193 12.080 5.580 1.00 0.00 N ATOM 0 H LYS A 150 4.282 5.399 4.720 1.00 0.00 H new ATOM 0 HA LYS A 150 2.136 6.345 6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 150 3.196 8.084 4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 150 1.458 7.932 4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.522 9.409 6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 150 2.424 8.237 7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 150 3.802 10.189 7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 150 4.547 9.101 5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 150 4.432 10.830 4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 150 2.721 10.471 4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 3.096 12.788 4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 2.301 12.015 6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 3.959 12.363 6.224 1.00 0.00 H new ATOM 308 N GLU A 151 1.837 4.123 5.024 1.00 0.00 N ATOM 309 CA GLU A 151 1.161 3.051 4.313 1.00 0.00 C ATOM 310 C GLU A 151 0.074 2.432 5.195 1.00 0.00 C ATOM 311 O GLU A 151 0.277 2.238 6.392 1.00 0.00 O ATOM 312 CB GLU A 151 2.158 1.988 3.847 1.00 0.00 C ATOM 313 CG GLU A 151 1.629 1.239 2.622 1.00 0.00 C ATOM 314 CD GLU A 151 0.318 0.520 2.944 1.00 0.00 C ATOM 315 OE1 GLU A 151 0.337 -0.299 3.889 1.00 0.00 O ATOM 316 OE2 GLU A 151 -0.674 0.804 2.239 1.00 0.00 O ATOM 0 H GLU A 151 2.312 3.834 5.879 1.00 0.00 H new ATOM 0 HA GLU A 151 0.687 3.472 3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 151 3.111 2.459 3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 151 2.347 1.282 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 151 1.472 1.940 1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 151 2.371 0.516 2.285 1.00 0.00 H new ATOM 321 N LYS A 152 -1.057 2.141 4.568 1.00 0.00 N ATOM 322 CA LYS A 152 -2.176 1.549 5.279 1.00 0.00 C ATOM 323 C LYS A 152 -2.626 0.282 4.550 1.00 0.00 C ATOM 324 O LYS A 152 -3.373 0.354 3.576 1.00 0.00 O ATOM 325 CB LYS A 152 -3.293 2.577 5.471 1.00 0.00 C ATOM 326 CG LYS A 152 -3.283 3.139 6.894 1.00 0.00 C ATOM 327 CD LYS A 152 -3.432 2.020 7.927 1.00 0.00 C ATOM 328 CE LYS A 152 -2.112 1.770 8.659 1.00 0.00 C ATOM 329 NZ LYS A 152 -2.269 2.014 10.110 1.00 0.00 N ATOM 0 H LYS A 152 -1.222 2.305 3.575 1.00 0.00 H new ATOM 0 HA LYS A 152 -1.873 1.249 6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -3.171 3.389 4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -4.258 2.113 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -2.352 3.679 7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -4.095 3.857 7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -4.206 2.285 8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -3.757 1.105 7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -1.785 0.744 8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -1.337 2.422 8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -1.364 1.840 10.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -2.560 3.000 10.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -2.994 1.374 10.493 1.00 0.00 H new ATOM 339 N ASP A 153 -2.152 -0.851 5.051 1.00 0.00 N ATOM 340 CA ASP A 153 -2.496 -2.132 4.459 1.00 0.00 C ATOM 341 C ASP A 153 -3.493 -2.857 5.365 1.00 0.00 C ATOM 342 O ASP A 153 -3.287 -2.944 6.575 1.00 0.00 O ATOM 343 CB ASP A 153 -1.259 -3.021 4.312 1.00 0.00 C ATOM 344 CG ASP A 153 -1.446 -4.471 4.762 1.00 0.00 C ATOM 345 OD1 ASP A 153 -2.527 -5.023 4.460 1.00 0.00 O ATOM 346 OD2 ASP A 153 -0.507 -4.994 5.397 1.00 0.00 O ATOM 0 H ASP A 153 -1.533 -0.907 5.860 1.00 0.00 H new ATOM 0 HA ASP A 153 -2.925 -1.944 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -0.951 -3.018 3.267 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -0.444 -2.581 4.886 1.00 0.00 H new ATOM 350 N LEU A 154 -4.552 -3.356 4.746 1.00 0.00 N ATOM 351 CA LEU A 154 -5.582 -4.070 5.482 1.00 0.00 C ATOM 352 C LEU A 154 -5.645 -5.518 4.988 1.00 0.00 C ATOM 353 O LEU A 154 -4.848 -5.924 4.144 1.00 0.00 O ATOM 354 CB LEU A 154 -6.917 -3.330 5.391 1.00 0.00 C ATOM 355 CG LEU A 154 -6.988 -2.200 4.361 1.00 0.00 C ATOM 356 CD1 LEU A 154 -5.965 -1.107 4.676 1.00 0.00 C ATOM 357 CD2 LEU A 154 -6.829 -2.743 2.941 1.00 0.00 C ATOM 0 H LEU A 154 -4.720 -3.280 3.743 1.00 0.00 H new ATOM 0 HA LEU A 154 -5.336 -4.105 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -7.697 -4.055 5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.148 -2.916 6.372 1.00 0.00 H new ATOM 0 HG LEU A 154 -7.976 -1.743 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.036 -0.316 3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -6.167 -0.693 5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -4.962 -1.532 4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -6.883 -1.920 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -5.864 -3.241 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -7.627 -3.456 2.733 1.00 0.00 H new ATOM 368 N ARG A 155 -6.601 -6.254 5.535 1.00 0.00 N ATOM 369 CA ARG A 155 -6.780 -7.646 5.159 1.00 0.00 C ATOM 370 C ARG A 155 -6.815 -7.786 3.637 1.00 0.00 C ATOM 371 O ARG A 155 -6.580 -8.869 3.103 1.00 0.00 O ATOM 372 CB ARG A 155 -8.074 -8.213 5.747 1.00 0.00 C ATOM 373 CG ARG A 155 -9.283 -7.381 5.314 1.00 0.00 C ATOM 374 CD ARG A 155 -10.024 -6.819 6.528 1.00 0.00 C ATOM 375 NE ARG A 155 -11.365 -6.338 6.125 1.00 0.00 N ATOM 376 CZ ARG A 155 -12.410 -7.142 5.884 1.00 0.00 C ATOM 377 NH1 ARG A 155 -12.276 -8.469 6.003 1.00 0.00 N ATOM 378 NH2 ARG A 155 -13.589 -6.618 5.522 1.00 0.00 N ATOM 0 H ARG A 155 -7.260 -5.913 6.235 1.00 0.00 H new ATOM 0 HA ARG A 155 -5.936 -8.208 5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -8.203 -9.246 5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -8.008 -8.227 6.835 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -8.955 -6.563 4.673 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -9.960 -7.997 4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -10.120 -7.588 7.294 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -9.452 -6.001 6.967 1.00 0.00 H new ATOM 0 HE ARG A 155 -11.502 -5.332 6.025 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -11.378 -8.868 6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -13.072 -9.080 5.820 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -13.691 -5.607 5.430 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -14.384 -7.230 5.339 1.00 0.00 H new ATOM 389 N ASP A 156 -7.110 -6.674 2.979 1.00 0.00 N ATOM 390 CA ASP A 156 -7.179 -6.658 1.528 1.00 0.00 C ATOM 391 C ASP A 156 -5.762 -6.611 0.955 1.00 0.00 C ATOM 392 O ASP A 156 -5.580 -6.401 -0.243 1.00 0.00 O ATOM 393 CB ASP A 156 -7.934 -5.425 1.026 1.00 0.00 C ATOM 394 CG ASP A 156 -8.537 -5.562 -0.374 1.00 0.00 C ATOM 395 OD1 ASP A 156 -9.428 -6.425 -0.526 1.00 0.00 O ATOM 396 OD2 ASP A 156 -8.093 -4.801 -1.260 1.00 0.00 O ATOM 0 H ASP A 156 -7.304 -5.777 3.425 1.00 0.00 H new ATOM 0 HA ASP A 156 -7.703 -7.558 1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -8.735 -5.196 1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -7.253 -4.574 1.030 1.00 0.00 H new ATOM 400 N VAL A 157 -4.794 -6.809 1.839 1.00 0.00 N ATOM 401 CA VAL A 157 -3.398 -6.792 1.435 1.00 0.00 C ATOM 402 C VAL A 157 -3.259 -7.465 0.068 1.00 0.00 C ATOM 403 O VAL A 157 -3.093 -6.788 -0.946 1.00 0.00 O ATOM 404 CB VAL A 157 -2.533 -7.445 2.514 1.00 0.00 C ATOM 405 CG1 VAL A 157 -3.376 -8.344 3.422 1.00 0.00 C ATOM 406 CG2 VAL A 157 -1.376 -8.227 1.891 1.00 0.00 C ATOM 0 H VAL A 157 -4.949 -6.982 2.832 1.00 0.00 H new ATOM 0 HA VAL A 157 -3.043 -5.767 1.330 1.00 0.00 H new ATOM 0 HB VAL A 157 -2.108 -6.651 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -2.737 -8.796 4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -4.149 -7.748 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -3.842 -9.128 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 157 -0.777 -8.681 2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -1.772 -9.008 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -0.753 -7.550 1.306 1.00 0.00 H new ATOM 416 N GLY A 158 -3.329 -8.787 0.085 1.00 0.00 N ATOM 417 CA GLY A 158 -3.212 -9.559 -1.140 1.00 0.00 C ATOM 418 C GLY A 158 -2.030 -9.074 -1.983 1.00 0.00 C ATOM 419 O GLY A 158 -0.918 -8.932 -1.476 1.00 0.00 O ATOM 0 H GLY A 158 -3.465 -9.344 0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -3.082 -10.614 -0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -4.133 -9.475 -1.716 1.00 0.00 H new ATOM 423 N ASP A 159 -2.311 -8.835 -3.255 1.00 0.00 N ATOM 424 CA ASP A 159 -1.285 -8.370 -4.173 1.00 0.00 C ATOM 425 C ASP A 159 -1.000 -6.890 -3.905 1.00 0.00 C ATOM 426 O ASP A 159 0.157 -6.480 -3.834 1.00 0.00 O ATOM 427 CB ASP A 159 -1.742 -8.507 -5.626 1.00 0.00 C ATOM 428 CG ASP A 159 -2.948 -7.647 -6.009 1.00 0.00 C ATOM 429 OD1 ASP A 159 -4.008 -7.841 -5.375 1.00 0.00 O ATOM 430 OD2 ASP A 159 -2.783 -6.814 -6.926 1.00 0.00 O ATOM 0 H ASP A 159 -3.234 -8.955 -3.672 1.00 0.00 H new ATOM 0 HA ASP A 159 -0.393 -8.977 -4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -0.908 -8.248 -6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -1.985 -9.552 -5.818 1.00 0.00 H new ATOM 434 N TRP A 160 -2.076 -6.129 -3.763 1.00 0.00 N ATOM 435 CA TRP A 160 -1.956 -4.705 -3.504 1.00 0.00 C ATOM 436 C TRP A 160 -0.800 -4.498 -2.524 1.00 0.00 C ATOM 437 O TRP A 160 0.104 -3.704 -2.782 1.00 0.00 O ATOM 438 CB TRP A 160 -3.278 -4.126 -2.999 1.00 0.00 C ATOM 439 CG TRP A 160 -3.191 -3.494 -1.608 1.00 0.00 C ATOM 440 CD1 TRP A 160 -3.515 -4.045 -0.430 1.00 0.00 C ATOM 441 CD2 TRP A 160 -2.734 -2.161 -1.297 1.00 0.00 C ATOM 442 NE1 TRP A 160 -3.301 -3.167 0.613 1.00 0.00 N ATOM 443 CE2 TRP A 160 -2.811 -1.986 0.070 1.00 0.00 C ATOM 444 CE3 TRP A 160 -2.270 -1.138 -2.142 1.00 0.00 C ATOM 445 CZ2 TRP A 160 -2.441 -0.797 0.712 1.00 0.00 C ATOM 446 CZ3 TRP A 160 -1.905 0.043 -1.485 1.00 0.00 C ATOM 447 CH2 TRP A 160 -1.977 0.236 -0.110 1.00 0.00 C ATOM 0 H TRP A 160 -3.035 -6.472 -3.823 1.00 0.00 H new ATOM 0 HA TRP A 160 -1.734 -4.164 -4.424 1.00 0.00 H new ATOM 0 HB2 TRP A 160 -3.627 -3.374 -3.707 1.00 0.00 H new ATOM 0 HB3 TRP A 160 -4.026 -4.918 -2.980 1.00 0.00 H new ATOM 0 HD1 TRP A 160 -3.895 -5.049 -0.312 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -3.471 -3.351 1.602 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -2.201 -1.254 -3.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.510 -0.684 1.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -1.542 0.862 -2.089 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -1.676 1.179 0.322 1.00 0.00 H new ATOM 457 N ARG A 161 -0.865 -5.226 -1.419 1.00 0.00 N ATOM 458 CA ARG A 161 0.166 -5.133 -0.399 1.00 0.00 C ATOM 459 C ARG A 161 1.495 -5.663 -0.937 1.00 0.00 C ATOM 460 O ARG A 161 2.491 -4.942 -0.965 1.00 0.00 O ATOM 461 CB ARG A 161 -0.223 -5.924 0.851 1.00 0.00 C ATOM 462 CG ARG A 161 0.132 -5.151 2.123 1.00 0.00 C ATOM 463 CD ARG A 161 0.737 -6.078 3.178 1.00 0.00 C ATOM 464 NE ARG A 161 1.604 -5.305 4.094 1.00 0.00 N ATOM 465 CZ ARG A 161 2.272 -5.838 5.126 1.00 0.00 C ATOM 466 NH1 ARG A 161 2.178 -7.151 5.379 1.00 0.00 N ATOM 467 NH2 ARG A 161 3.035 -5.059 5.905 1.00 0.00 N ATOM 0 H ARG A 161 -1.616 -5.883 -1.208 1.00 0.00 H new ATOM 0 HA ARG A 161 0.273 -4.082 -0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -1.293 -6.133 0.835 1.00 0.00 H new ATOM 0 HB3 ARG A 161 0.290 -6.886 0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 161 0.839 -4.356 1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 161 -0.762 -4.673 2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 161 -0.057 -6.567 3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 161 1.316 -6.865 2.694 1.00 0.00 H new ATOM 0 HE ARG A 161 1.699 -4.303 3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 161 1.598 -7.744 4.786 1.00 0.00 H new ATOM 0 HH12 ARG A 161 2.687 -7.557 6.165 1.00 0.00 H new ATOM 0 HH21 ARG A 161 3.107 -4.060 5.712 1.00 0.00 H new ATOM 0 HH22 ARG A 161 3.543 -5.465 6.691 1.00 0.00 H new ATOM 478 N LYS A 162 1.469 -6.921 -1.353 1.00 0.00 N ATOM 479 CA LYS A 162 2.661 -7.557 -1.889 1.00 0.00 C ATOM 480 C LYS A 162 3.553 -6.495 -2.536 1.00 0.00 C ATOM 481 O LYS A 162 4.777 -6.570 -2.446 1.00 0.00 O ATOM 482 CB LYS A 162 2.280 -8.699 -2.834 1.00 0.00 C ATOM 483 CG LYS A 162 3.326 -8.869 -3.937 1.00 0.00 C ATOM 484 CD LYS A 162 4.629 -9.442 -3.374 1.00 0.00 C ATOM 485 CE LYS A 162 4.817 -10.899 -3.803 1.00 0.00 C ATOM 486 NZ LYS A 162 4.298 -11.817 -2.765 1.00 0.00 N ATOM 0 H LYS A 162 0.641 -7.517 -1.330 1.00 0.00 H new ATOM 0 HA LYS A 162 3.241 -8.016 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 162 2.187 -9.627 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 162 1.306 -8.498 -3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 162 2.938 -9.531 -4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 162 3.522 -7.906 -4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 162 5.473 -8.845 -3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 162 4.619 -9.378 -2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 162 4.299 -11.076 -4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 162 5.874 -11.099 -3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 4.434 -12.801 -3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 4.811 -11.659 -1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 3.284 -11.637 -2.618 1.00 0.00 H new ATOM 496 N ASN A 163 2.904 -5.532 -3.174 1.00 0.00 N ATOM 497 CA ASN A 163 3.624 -4.457 -3.835 1.00 0.00 C ATOM 498 C ASN A 163 4.049 -3.418 -2.796 1.00 0.00 C ATOM 499 O ASN A 163 5.240 -3.177 -2.602 1.00 0.00 O ATOM 500 CB ASN A 163 2.739 -3.757 -4.869 1.00 0.00 C ATOM 501 CG ASN A 163 2.673 -4.562 -6.169 1.00 0.00 C ATOM 502 OD1 ASN A 163 3.588 -4.564 -6.976 1.00 0.00 O ATOM 503 ND2 ASN A 163 1.543 -5.244 -6.325 1.00 0.00 N ATOM 0 H ASN A 163 1.888 -5.474 -3.247 1.00 0.00 H new ATOM 0 HA ASN A 163 4.491 -4.889 -4.335 1.00 0.00 H new ATOM 0 HB2 ASN A 163 1.735 -3.628 -4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 163 3.131 -2.761 -5.073 1.00 0.00 H new ATOM 0 HD21 ASN A 163 1.402 -5.813 -7.160 1.00 0.00 H new ATOM 0 HD22 ASN A 163 0.817 -5.198 -5.610 1.00 0.00 H new ATOM 509 N ILE A 164 3.051 -2.829 -2.152 1.00 0.00 N ATOM 510 CA ILE A 164 3.306 -1.821 -1.137 1.00 0.00 C ATOM 511 C ILE A 164 3.585 -2.510 0.200 1.00 0.00 C ATOM 512 O ILE A 164 3.271 -1.968 1.259 1.00 0.00 O ATOM 513 CB ILE A 164 2.156 -0.813 -1.081 1.00 0.00 C ATOM 514 CG1 ILE A 164 0.850 -1.494 -0.668 1.00 0.00 C ATOM 515 CG2 ILE A 164 2.017 -0.066 -2.410 1.00 0.00 C ATOM 516 CD1 ILE A 164 0.799 -1.712 0.845 1.00 0.00 C ATOM 0 H ILE A 164 2.064 -3.031 -2.314 1.00 0.00 H new ATOM 0 HA ILE A 164 4.194 -1.242 -1.390 1.00 0.00 H new ATOM 0 HB ILE A 164 2.388 -0.071 -0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 164 0.003 -0.883 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 164 0.758 -2.452 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 164 1.193 0.644 -2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 164 2.942 0.470 -2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 164 1.818 -0.780 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 164 -0.140 -2.198 1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 164 1.633 -2.344 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 164 0.867 -0.750 1.354 1.00 0.00 H new ATOM 527 N GLU A 165 4.173 -3.694 0.108 1.00 0.00 N ATOM 528 CA GLU A 165 4.498 -4.462 1.298 1.00 0.00 C ATOM 529 C GLU A 165 5.891 -5.080 1.166 1.00 0.00 C ATOM 530 O GLU A 165 6.644 -5.134 2.138 1.00 0.00 O ATOM 531 CB GLU A 165 3.443 -5.539 1.560 1.00 0.00 C ATOM 532 CG GLU A 165 3.845 -6.868 0.919 1.00 0.00 C ATOM 533 CD GLU A 165 4.891 -7.592 1.768 1.00 0.00 C ATOM 534 OE1 GLU A 165 5.164 -7.093 2.881 1.00 0.00 O ATOM 535 OE2 GLU A 165 5.396 -8.628 1.285 1.00 0.00 O ATOM 0 H GLU A 165 4.433 -4.140 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 165 4.501 -3.787 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 165 3.314 -5.673 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 165 2.481 -5.215 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 165 2.965 -7.500 0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 165 4.243 -6.688 -0.080 1.00 0.00 H new ATOM 540 N GLU A 166 6.192 -5.532 -0.043 1.00 0.00 N ATOM 541 CA GLU A 166 7.481 -6.143 -0.313 1.00 0.00 C ATOM 542 C GLU A 166 8.460 -5.100 -0.856 1.00 0.00 C ATOM 543 O GLU A 166 9.667 -5.211 -0.651 1.00 0.00 O ATOM 544 CB GLU A 166 7.338 -7.317 -1.284 1.00 0.00 C ATOM 545 CG GLU A 166 8.668 -8.054 -1.454 1.00 0.00 C ATOM 546 CD GLU A 166 9.145 -8.640 -0.122 1.00 0.00 C ATOM 547 OE1 GLU A 166 8.679 -9.752 0.206 1.00 0.00 O ATOM 548 OE2 GLU A 166 9.963 -7.962 0.534 1.00 0.00 O ATOM 0 H GLU A 166 5.565 -5.487 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 166 7.879 -6.534 0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 166 6.580 -8.008 -0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 166 6.994 -6.953 -2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 166 8.554 -8.853 -2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 166 9.420 -7.369 -1.844 1.00 0.00 H new ATOM 553 N LYS A 167 7.902 -4.110 -1.538 1.00 0.00 N ATOM 554 CA LYS A 167 8.712 -3.048 -2.112 1.00 0.00 C ATOM 555 C LYS A 167 8.882 -1.930 -1.082 1.00 0.00 C ATOM 556 O LYS A 167 9.930 -1.818 -0.447 1.00 0.00 O ATOM 557 CB LYS A 167 8.115 -2.578 -3.439 1.00 0.00 C ATOM 558 CG LYS A 167 8.220 -3.669 -4.506 1.00 0.00 C ATOM 559 CD LYS A 167 8.182 -3.067 -5.912 1.00 0.00 C ATOM 560 CE LYS A 167 9.149 -3.795 -6.847 1.00 0.00 C ATOM 561 NZ LYS A 167 8.878 -3.433 -8.256 1.00 0.00 N ATOM 0 H LYS A 167 6.900 -4.021 -1.706 1.00 0.00 H new ATOM 0 HA LYS A 167 9.710 -3.415 -2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 167 7.070 -2.305 -3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 167 8.635 -1.682 -3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 167 9.146 -4.227 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 167 7.401 -4.378 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 167 7.169 -3.129 -6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 167 8.442 -2.010 -5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 167 10.176 -3.537 -6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 167 9.049 -4.872 -6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 9.543 -3.936 -8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 7.904 -3.701 -8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 8.996 -2.407 -8.380 1.00 0.00 H new ATOM 571 N SER A 168 7.834 -1.128 -0.948 1.00 0.00 N ATOM 572 CA SER A 168 7.854 -0.022 -0.006 1.00 0.00 C ATOM 573 C SER A 168 8.610 -0.427 1.261 1.00 0.00 C ATOM 574 O SER A 168 9.527 0.270 1.690 1.00 0.00 O ATOM 575 CB SER A 168 6.434 0.429 0.344 1.00 0.00 C ATOM 576 OG SER A 168 5.667 0.724 -0.819 1.00 0.00 O ATOM 0 H SER A 168 6.967 -1.223 -1.476 1.00 0.00 H new ATOM 0 HA SER A 168 8.368 0.817 -0.475 1.00 0.00 H new ATOM 0 HB2 SER A 168 5.936 -0.353 0.918 1.00 0.00 H new ATOM 0 HB3 SER A 168 6.481 1.312 0.981 1.00 0.00 H new ATOM 0 HG SER A 168 4.767 1.006 -0.554 1.00 0.00 H new ATOM 581 N GLY A 169 8.197 -1.553 1.823 1.00 0.00 N ATOM 582 CA GLY A 169 8.823 -2.059 3.033 1.00 0.00 C ATOM 583 C GLY A 169 10.345 -2.111 2.882 1.00 0.00 C ATOM 584 O GLY A 169 11.067 -1.416 3.596 1.00 0.00 O ATOM 0 H GLY A 169 7.436 -2.130 1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 169 8.559 -1.422 3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 169 8.442 -3.056 3.255 1.00 0.00 H new