USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=6 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= -0.317 F(o=-1,f=-0.32) USER MOD Single : A 134 MET CE :methyl -169:sc= 0 (180deg=-0.157) USER MOD Single : A 139 ASN : amide:sc= -0.432 K(o=-0.43,f=-1.4) USER MOD Single : A 142 GLN :FLIP amide:sc= -0.171 F(o=-0.7,f=-0.17) 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 77:sc= 1.06 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+ -122:sc= 0.255 (180deg=0) USER MOD Single : A 163 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.3!) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot -138:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 19 N VAL A 132 -18.944 -9.806 4.925 1.00 0.00 N ATOM 20 CA VAL A 132 -19.315 -8.515 4.370 1.00 0.00 C ATOM 21 C VAL A 132 -18.512 -7.416 5.068 1.00 0.00 C ATOM 22 O VAL A 132 -17.714 -6.728 4.434 1.00 0.00 O ATOM 23 CB VAL A 132 -20.828 -8.313 4.479 1.00 0.00 C ATOM 24 CG1 VAL A 132 -21.225 -6.903 4.038 1.00 0.00 C ATOM 25 CG2 VAL A 132 -21.582 -9.373 3.674 1.00 0.00 C ATOM 0 HA VAL A 132 -19.072 -8.471 3.308 1.00 0.00 H new ATOM 0 HB VAL A 132 -21.107 -8.427 5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -22.305 -6.785 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -20.728 -6.170 4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -20.925 -6.748 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -22.655 -9.207 3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -21.295 -9.305 2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -21.334 -10.364 4.055 1.00 0.00 H new ATOM 35 N ASN A 133 -18.753 -7.284 6.364 1.00 0.00 N ATOM 36 CA ASN A 133 -18.063 -6.279 7.155 1.00 0.00 C ATOM 37 C ASN A 133 -16.652 -6.078 6.597 1.00 0.00 C ATOM 38 O ASN A 133 -16.168 -4.950 6.516 1.00 0.00 O ATOM 39 CB ASN A 133 -17.935 -6.719 8.614 1.00 0.00 C ATOM 40 CG ASN A 133 -18.199 -8.219 8.760 1.00 0.00 C ATOM 41 OD1 ASN A 133 -17.171 -8.985 8.409 1.00 0.00 O flip ATOM 42 ND2 ASN A 133 -19.266 -8.652 9.165 1.00 0.00 N flip ATOM 0 H ASN A 133 -19.416 -7.856 6.886 1.00 0.00 H new ATOM 0 HA ASN A 133 -18.641 -5.356 7.106 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -16.936 -6.485 8.982 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -18.640 -6.160 9.229 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -20.015 -8.007 9.418 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -19.409 -9.658 9.251 1.00 0.00 H new ATOM 48 N MET A 134 -16.032 -7.190 6.228 1.00 0.00 N ATOM 49 CA MET A 134 -14.687 -7.150 5.680 1.00 0.00 C ATOM 50 C MET A 134 -14.677 -6.498 4.296 1.00 0.00 C ATOM 51 O MET A 134 -14.022 -5.478 4.091 1.00 0.00 O ATOM 52 CB MET A 134 -14.134 -8.572 5.579 1.00 0.00 C ATOM 53 CG MET A 134 -13.709 -9.095 6.953 1.00 0.00 C ATOM 54 SD MET A 134 -12.107 -9.875 6.840 1.00 0.00 S ATOM 55 CE MET A 134 -12.506 -11.248 5.771 1.00 0.00 C ATOM 0 H MET A 134 -16.437 -8.124 6.298 1.00 0.00 H new ATOM 0 HA MET A 134 -14.062 -6.554 6.345 1.00 0.00 H new ATOM 0 HB2 MET A 134 -14.891 -9.231 5.154 1.00 0.00 H new ATOM 0 HB3 MET A 134 -13.281 -8.587 4.901 1.00 0.00 H new ATOM 0 HG2 MET A 134 -13.673 -8.274 7.669 1.00 0.00 H new ATOM 0 HG3 MET A 134 -14.445 -9.809 7.323 1.00 0.00 H new ATOM 0 HE1 MET A 134 -11.671 -11.949 5.752 1.00 0.00 H new ATOM 0 HE2 MET A 134 -13.396 -11.754 6.146 1.00 0.00 H new ATOM 0 HE3 MET A 134 -12.695 -10.881 4.762 1.00 0.00 H new ATOM 63 N ASP A 135 -15.412 -7.115 3.382 1.00 0.00 N ATOM 64 CA ASP A 135 -15.497 -6.607 2.023 1.00 0.00 C ATOM 65 C ASP A 135 -15.863 -5.122 2.060 1.00 0.00 C ATOM 66 O ASP A 135 -15.563 -4.382 1.124 1.00 0.00 O ATOM 67 CB ASP A 135 -16.578 -7.341 1.227 1.00 0.00 C ATOM 68 CG ASP A 135 -16.436 -7.250 -0.293 1.00 0.00 C ATOM 69 OD1 ASP A 135 -15.283 -7.360 -0.763 1.00 0.00 O ATOM 70 OD2 ASP A 135 -17.483 -7.073 -0.952 1.00 0.00 O ATOM 0 H ASP A 135 -15.954 -7.962 3.556 1.00 0.00 H new ATOM 0 HA ASP A 135 -14.530 -6.761 1.544 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -16.569 -8.392 1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -17.551 -6.941 1.510 1.00 0.00 H new ATOM 74 N LEU A 136 -16.505 -4.730 3.150 1.00 0.00 N ATOM 75 CA LEU A 136 -16.915 -3.347 3.321 1.00 0.00 C ATOM 76 C LEU A 136 -15.682 -2.485 3.601 1.00 0.00 C ATOM 77 O LEU A 136 -15.273 -1.688 2.757 1.00 0.00 O ATOM 78 CB LEU A 136 -17.998 -3.237 4.396 1.00 0.00 C ATOM 79 CG LEU A 136 -18.224 -1.841 4.980 1.00 0.00 C ATOM 80 CD1 LEU A 136 -19.646 -1.352 4.695 1.00 0.00 C ATOM 81 CD2 LEU A 136 -17.897 -1.813 6.475 1.00 0.00 C ATOM 0 H LEU A 136 -16.752 -5.347 3.924 1.00 0.00 H new ATOM 0 HA LEU A 136 -17.369 -2.969 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -18.939 -3.589 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -17.742 -3.913 5.212 1.00 0.00 H new ATOM 0 HG LEU A 136 -17.540 -1.149 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -19.781 -0.358 5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -19.808 -1.311 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -20.364 -2.039 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -18.066 -0.810 6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -18.539 -2.520 7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -16.853 -2.090 6.624 1.00 0.00 H new ATOM 92 N ARG A 137 -15.124 -2.674 4.787 1.00 0.00 N ATOM 93 CA ARG A 137 -13.946 -1.924 5.187 1.00 0.00 C ATOM 94 C ARG A 137 -12.948 -1.843 4.031 1.00 0.00 C ATOM 95 O ARG A 137 -12.586 -0.752 3.593 1.00 0.00 O ATOM 96 CB ARG A 137 -13.265 -2.571 6.396 1.00 0.00 C ATOM 97 CG ARG A 137 -14.235 -2.693 7.572 1.00 0.00 C ATOM 98 CD ARG A 137 -13.502 -2.535 8.905 1.00 0.00 C ATOM 99 NE ARG A 137 -14.223 -1.571 9.767 1.00 0.00 N ATOM 100 CZ ARG A 137 -15.419 -1.808 10.322 1.00 0.00 C ATOM 101 NH1 ARG A 137 -16.037 -2.978 10.109 1.00 0.00 N ATOM 102 NH2 ARG A 137 -15.998 -0.875 11.090 1.00 0.00 N ATOM 0 H ARG A 137 -15.466 -3.336 5.484 1.00 0.00 H new ATOM 0 HA ARG A 137 -14.271 -0.920 5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -12.893 -3.559 6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.401 -1.976 6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -15.012 -1.933 7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.732 -3.662 7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -13.429 -3.500 9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -12.483 -2.189 8.731 1.00 0.00 H new ATOM 0 HE ARG A 137 -13.781 -0.670 9.950 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -15.597 -3.688 9.524 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -16.948 -3.158 10.532 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -15.528 0.016 11.252 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -16.909 -1.055 11.513 1.00 0.00 H new ATOM 113 N ALA A 138 -12.532 -3.013 3.568 1.00 0.00 N ATOM 114 CA ALA A 138 -11.583 -3.089 2.471 1.00 0.00 C ATOM 115 C ALA A 138 -12.102 -2.259 1.295 1.00 0.00 C ATOM 116 O ALA A 138 -11.485 -1.267 0.910 1.00 0.00 O ATOM 117 CB ALA A 138 -11.355 -4.554 2.092 1.00 0.00 C ATOM 0 H ALA A 138 -12.835 -3.916 3.933 1.00 0.00 H new ATOM 0 HA ALA A 138 -10.620 -2.675 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -10.643 -4.610 1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -10.959 -5.095 2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -12.300 -5.002 1.785 1.00 0.00 H new ATOM 123 N ASN A 139 -13.233 -2.693 0.757 1.00 0.00 N ATOM 124 CA ASN A 139 -13.841 -2.003 -0.366 1.00 0.00 C ATOM 125 C ASN A 139 -13.748 -0.493 -0.142 1.00 0.00 C ATOM 126 O ASN A 139 -13.644 0.276 -1.097 1.00 0.00 O ATOM 127 CB ASN A 139 -15.321 -2.370 -0.502 1.00 0.00 C ATOM 128 CG ASN A 139 -16.028 -1.442 -1.492 1.00 0.00 C ATOM 129 OD1 ASN A 139 -15.453 -0.973 -2.462 1.00 0.00 O ATOM 130 ND2 ASN A 139 -17.301 -1.203 -1.194 1.00 0.00 N ATOM 0 H ASN A 139 -13.744 -3.515 1.079 1.00 0.00 H new ATOM 0 HA ASN A 139 -13.311 -2.299 -1.271 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -15.414 -3.403 -0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -15.806 -2.306 0.472 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -17.859 -0.594 -1.793 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -17.720 -1.628 -0.367 1.00 0.00 H new ATOM 136 N LEU A 140 -13.788 -0.111 1.126 1.00 0.00 N ATOM 137 CA LEU A 140 -13.710 1.294 1.488 1.00 0.00 C ATOM 138 C LEU A 140 -12.264 1.774 1.340 1.00 0.00 C ATOM 139 O LEU A 140 -11.878 2.279 0.287 1.00 0.00 O ATOM 140 CB LEU A 140 -14.292 1.522 2.884 1.00 0.00 C ATOM 141 CG LEU A 140 -15.652 2.222 2.937 1.00 0.00 C ATOM 142 CD1 LEU A 140 -16.667 1.517 2.034 1.00 0.00 C ATOM 143 CD2 LEU A 140 -16.152 2.341 4.377 1.00 0.00 C ATOM 0 H LEU A 140 -13.873 -0.751 1.916 1.00 0.00 H new ATOM 0 HA LEU A 140 -14.318 1.895 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -14.383 0.556 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -13.579 2.111 3.461 1.00 0.00 H new ATOM 0 HG LEU A 140 -15.530 3.235 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -17.625 2.034 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -16.308 1.528 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -16.792 0.485 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -17.120 2.842 4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -16.255 1.346 4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -15.438 2.920 4.963 1.00 0.00 H new ATOM 172 N GLN A 142 -9.331 -0.078 1.491 1.00 0.00 N ATOM 173 CA GLN A 142 -8.650 -0.939 0.537 1.00 0.00 C ATOM 174 C GLN A 142 -7.134 -0.747 0.639 1.00 0.00 C ATOM 175 O GLN A 142 -6.397 -1.708 0.853 1.00 0.00 O ATOM 176 CB GLN A 142 -9.142 -0.675 -0.887 1.00 0.00 C ATOM 177 CG GLN A 142 -9.684 -1.956 -1.525 1.00 0.00 C ATOM 178 CD GLN A 142 -10.335 -1.661 -2.878 1.00 0.00 C ATOM 179 OE1 GLN A 142 -9.648 -0.811 -3.635 1.00 0.00 O flip ATOM 180 NE2 GLN A 142 -11.392 -2.172 -3.211 1.00 0.00 N flip ATOM 0 HA GLN A 142 -8.883 -1.976 0.780 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -9.922 0.086 -0.871 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -8.325 -0.281 -1.491 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -8.873 -2.673 -1.656 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -10.413 -2.418 -0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -11.868 -2.817 -2.580 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -11.800 -1.954 -4.120 1.00 0.00 H new ATOM 187 N VAL A 143 -6.715 0.500 0.478 1.00 0.00 N ATOM 188 CA VAL A 143 -5.303 0.829 0.549 1.00 0.00 C ATOM 189 C VAL A 143 -5.142 2.262 1.060 1.00 0.00 C ATOM 190 O VAL A 143 -5.663 3.201 0.460 1.00 0.00 O ATOM 191 CB VAL A 143 -4.644 0.603 -0.813 1.00 0.00 C ATOM 192 CG1 VAL A 143 -5.630 -0.024 -1.802 1.00 0.00 C ATOM 193 CG2 VAL A 143 -4.067 1.907 -1.366 1.00 0.00 C ATOM 0 H VAL A 143 -7.330 1.294 0.299 1.00 0.00 H new ATOM 0 HA VAL A 143 -4.794 0.173 1.255 1.00 0.00 H new ATOM 0 HB VAL A 143 -3.819 -0.096 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -5.136 -0.174 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -5.972 -0.984 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -6.485 0.639 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -3.604 1.718 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -4.867 2.638 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -3.318 2.295 -0.676 1.00 0.00 H new ATOM 203 N LYS A 144 -4.419 2.386 2.163 1.00 0.00 N ATOM 204 CA LYS A 144 -4.183 3.689 2.761 1.00 0.00 C ATOM 205 C LYS A 144 -2.677 3.947 2.833 1.00 0.00 C ATOM 206 O LYS A 144 -2.070 3.810 3.895 1.00 0.00 O ATOM 207 CB LYS A 144 -4.890 3.794 4.114 1.00 0.00 C ATOM 208 CG LYS A 144 -6.278 3.151 4.057 1.00 0.00 C ATOM 209 CD LYS A 144 -7.304 3.995 4.817 1.00 0.00 C ATOM 210 CE LYS A 144 -8.115 4.868 3.858 1.00 0.00 C ATOM 211 NZ LYS A 144 -8.763 5.978 4.590 1.00 0.00 N ATOM 0 H LYS A 144 -3.989 1.605 2.658 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.613 4.476 2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -4.290 3.305 4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -4.982 4.842 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -6.590 3.041 3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -6.237 2.149 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -7.975 3.342 5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -6.794 4.626 5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -7.463 5.268 3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -8.872 4.263 3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -9.309 6.561 3.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -9.400 5.591 5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -8.035 6.564 5.047 1.00 0.00 H new ATOM 221 N LYS A 145 -2.117 4.317 1.691 1.00 0.00 N ATOM 222 CA LYS A 145 -0.693 4.596 1.612 1.00 0.00 C ATOM 223 C LYS A 145 -0.470 5.856 0.773 1.00 0.00 C ATOM 224 O LYS A 145 -1.302 6.205 -0.063 1.00 0.00 O ATOM 225 CB LYS A 145 0.065 3.372 1.095 1.00 0.00 C ATOM 226 CG LYS A 145 -0.050 3.257 -0.427 1.00 0.00 C ATOM 227 CD LYS A 145 1.264 2.772 -1.041 1.00 0.00 C ATOM 228 CE LYS A 145 1.304 3.053 -2.544 1.00 0.00 C ATOM 229 NZ LYS A 145 2.584 3.694 -2.918 1.00 0.00 N ATOM 0 H LYS A 145 -2.623 4.430 0.813 1.00 0.00 H new ATOM 0 HA LYS A 145 -0.289 4.797 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 145 1.115 3.443 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -0.331 2.470 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 145 -0.852 2.565 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 145 -0.317 4.226 -0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 145 2.103 3.268 -0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 145 1.379 1.703 -0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 145 1.182 2.122 -3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 145 0.472 3.700 -2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 2.594 3.878 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 2.686 4.592 -2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 3.373 3.063 -2.672 1.00 0.00 H new ATOM 239 N GLU A 146 0.657 6.505 1.025 1.00 0.00 N ATOM 240 CA GLU A 146 0.999 7.718 0.303 1.00 0.00 C ATOM 241 C GLU A 146 2.517 7.913 0.280 1.00 0.00 C ATOM 242 O GLU A 146 3.001 9.016 0.034 1.00 0.00 O ATOM 243 CB GLU A 146 0.300 8.935 0.912 1.00 0.00 C ATOM 244 CG GLU A 146 -0.942 9.315 0.104 1.00 0.00 C ATOM 245 CD GLU A 146 -0.696 10.586 -0.712 1.00 0.00 C ATOM 246 OE1 GLU A 146 0.131 10.510 -1.646 1.00 0.00 O ATOM 247 OE2 GLU A 146 -1.342 11.605 -0.384 1.00 0.00 O ATOM 0 H GLU A 146 1.345 6.213 1.719 1.00 0.00 H new ATOM 0 HA GLU A 146 0.650 7.616 -0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.016 8.718 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 146 0.990 9.778 0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -1.211 8.496 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -1.786 9.468 0.777 1.00 0.00 H new ATOM 252 N ASP A 147 3.225 6.824 0.543 1.00 0.00 N ATOM 253 CA ASP A 147 4.678 6.860 0.557 1.00 0.00 C ATOM 254 C ASP A 147 5.202 5.754 1.473 1.00 0.00 C ATOM 255 O ASP A 147 4.463 5.227 2.302 1.00 0.00 O ATOM 256 CB ASP A 147 5.189 8.200 1.090 1.00 0.00 C ATOM 257 CG ASP A 147 5.549 9.228 0.016 1.00 0.00 C ATOM 258 OD1 ASP A 147 6.232 8.826 -0.950 1.00 0.00 O ATOM 259 OD2 ASP A 147 5.134 10.395 0.186 1.00 0.00 O ATOM 0 H ASP A 147 2.819 5.911 0.748 1.00 0.00 H new ATOM 0 HA ASP A 147 5.030 6.721 -0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 147 4.428 8.629 1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 147 6.069 8.017 1.706 1.00 0.00 H new ATOM 263 N THR A 148 6.476 5.435 1.292 1.00 0.00 N ATOM 264 CA THR A 148 7.109 4.401 2.094 1.00 0.00 C ATOM 265 C THR A 148 6.809 4.618 3.578 1.00 0.00 C ATOM 266 O THR A 148 6.611 3.657 4.321 1.00 0.00 O ATOM 267 CB THR A 148 8.605 4.401 1.769 1.00 0.00 C ATOM 268 OG1 THR A 148 9.191 3.661 2.836 1.00 0.00 O ATOM 269 CG2 THR A 148 9.231 5.792 1.893 1.00 0.00 C ATOM 0 H THR A 148 7.086 5.874 0.603 1.00 0.00 H new ATOM 0 HA THR A 148 6.710 3.415 1.856 1.00 0.00 H new ATOM 0 HB THR A 148 8.757 4.023 0.758 1.00 0.00 H new ATOM 0 HG1 THR A 148 9.031 2.704 2.697 1.00 0.00 H new ATOM 0 HG21 THR A 148 10.293 5.736 1.652 1.00 0.00 H new ATOM 0 HG22 THR A 148 8.738 6.476 1.202 1.00 0.00 H new ATOM 0 HG23 THR A 148 9.109 6.156 2.913 1.00 0.00 H new ATOM 277 N GLU A 149 6.784 5.884 3.965 1.00 0.00 N ATOM 278 CA GLU A 149 6.512 6.239 5.347 1.00 0.00 C ATOM 279 C GLU A 149 5.007 6.420 5.562 1.00 0.00 C ATOM 280 O GLU A 149 4.588 7.136 6.470 1.00 0.00 O ATOM 281 CB GLU A 149 7.278 7.501 5.751 1.00 0.00 C ATOM 282 CG GLU A 149 8.740 7.177 6.064 1.00 0.00 C ATOM 283 CD GLU A 149 8.869 6.474 7.417 1.00 0.00 C ATOM 284 OE1 GLU A 149 8.690 7.171 8.439 1.00 0.00 O ATOM 285 OE2 GLU A 149 9.143 5.254 7.399 1.00 0.00 O ATOM 0 H GLU A 149 6.948 6.677 3.345 1.00 0.00 H new ATOM 0 HA GLU A 149 6.856 5.425 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 149 7.228 8.234 4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 149 6.807 7.953 6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 149 9.151 6.542 5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 149 9.326 8.096 6.070 1.00 0.00 H new ATOM 290 N LYS A 150 4.237 5.757 4.712 1.00 0.00 N ATOM 291 CA LYS A 150 2.789 5.836 4.798 1.00 0.00 C ATOM 292 C LYS A 150 2.172 4.684 4.000 1.00 0.00 C ATOM 293 O LYS A 150 1.842 4.845 2.826 1.00 0.00 O ATOM 294 CB LYS A 150 2.300 7.217 4.362 1.00 0.00 C ATOM 295 CG LYS A 150 2.263 8.185 5.546 1.00 0.00 C ATOM 296 CD LYS A 150 3.300 9.298 5.377 1.00 0.00 C ATOM 297 CE LYS A 150 2.903 10.252 4.249 1.00 0.00 C ATOM 298 NZ LYS A 150 2.223 11.448 4.796 1.00 0.00 N ATOM 0 H LYS A 150 4.588 5.163 3.961 1.00 0.00 H new ATOM 0 HA LYS A 150 2.462 5.720 5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 150 2.957 7.611 3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 150 1.305 7.133 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.268 8.621 5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 150 2.455 7.641 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 150 3.398 9.853 6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 150 4.275 8.861 5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 150 3.790 10.554 3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 150 2.244 9.741 3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 1.960 12.085 4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 1.366 11.156 5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 2.864 11.944 5.448 1.00 0.00 H new ATOM 308 N GLU A 151 2.036 3.549 4.668 1.00 0.00 N ATOM 309 CA GLU A 151 1.465 2.372 4.036 1.00 0.00 C ATOM 310 C GLU A 151 0.580 1.614 5.028 1.00 0.00 C ATOM 311 O GLU A 151 1.077 1.036 5.993 1.00 0.00 O ATOM 312 CB GLU A 151 2.562 1.465 3.475 1.00 0.00 C ATOM 313 CG GLU A 151 2.383 1.256 1.970 1.00 0.00 C ATOM 314 CD GLU A 151 3.332 2.158 1.176 1.00 0.00 C ATOM 315 OE1 GLU A 151 3.279 3.384 1.410 1.00 0.00 O ATOM 316 OE2 GLU A 151 4.089 1.598 0.352 1.00 0.00 O ATOM 0 H GLU A 151 2.312 3.419 5.641 1.00 0.00 H new ATOM 0 HA GLU A 151 0.845 2.696 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 151 3.539 1.906 3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 151 2.539 0.502 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 151 2.572 0.212 1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 151 1.352 1.470 1.689 1.00 0.00 H new ATOM 321 N LYS A 152 -0.716 1.640 4.755 1.00 0.00 N ATOM 322 CA LYS A 152 -1.675 0.961 5.611 1.00 0.00 C ATOM 323 C LYS A 152 -2.349 -0.164 4.823 1.00 0.00 C ATOM 324 O LYS A 152 -3.225 0.091 3.997 1.00 0.00 O ATOM 325 CB LYS A 152 -2.659 1.965 6.213 1.00 0.00 C ATOM 326 CG LYS A 152 -2.597 1.946 7.742 1.00 0.00 C ATOM 327 CD LYS A 152 -3.746 2.753 8.349 1.00 0.00 C ATOM 328 CE LYS A 152 -4.154 2.187 9.710 1.00 0.00 C ATOM 329 NZ LYS A 152 -5.182 3.045 10.341 1.00 0.00 N ATOM 0 H LYS A 152 -1.125 2.120 3.953 1.00 0.00 H new ATOM 0 HA LYS A 152 -1.169 0.498 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -2.430 2.967 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -3.671 1.730 5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -2.643 0.917 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -1.644 2.356 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -3.445 3.795 8.460 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -4.602 2.739 7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -4.541 1.175 9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -3.281 2.119 10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -5.448 2.647 11.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -4.800 4.003 10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -6.021 3.089 9.728 1.00 0.00 H new ATOM 339 N ASP A 153 -1.915 -1.383 5.106 1.00 0.00 N ATOM 340 CA ASP A 153 -2.466 -2.548 4.434 1.00 0.00 C ATOM 341 C ASP A 153 -3.486 -3.225 5.350 1.00 0.00 C ATOM 342 O ASP A 153 -3.164 -3.595 6.477 1.00 0.00 O ATOM 343 CB ASP A 153 -1.370 -3.567 4.112 1.00 0.00 C ATOM 344 CG ASP A 153 -1.641 -4.987 4.613 1.00 0.00 C ATOM 345 OD1 ASP A 153 -2.765 -5.473 4.360 1.00 0.00 O ATOM 346 OD2 ASP A 153 -0.719 -5.553 5.238 1.00 0.00 O ATOM 0 H ASP A 153 -1.188 -1.590 5.791 1.00 0.00 H new ATOM 0 HA ASP A 153 -2.932 -2.214 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -1.231 -3.599 3.031 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -0.432 -3.218 4.544 1.00 0.00 H new ATOM 350 N LEU A 154 -4.698 -3.365 4.832 1.00 0.00 N ATOM 351 CA LEU A 154 -5.769 -3.991 5.590 1.00 0.00 C ATOM 352 C LEU A 154 -6.305 -5.192 4.809 1.00 0.00 C ATOM 353 O LEU A 154 -5.861 -5.461 3.694 1.00 0.00 O ATOM 354 CB LEU A 154 -6.843 -2.961 5.950 1.00 0.00 C ATOM 355 CG LEU A 154 -6.992 -1.783 4.986 1.00 0.00 C ATOM 356 CD1 LEU A 154 -5.833 -0.796 5.143 1.00 0.00 C ATOM 357 CD2 LEU A 154 -7.140 -2.269 3.543 1.00 0.00 C ATOM 0 H LEU A 154 -4.962 -3.056 3.897 1.00 0.00 H new ATOM 0 HA LEU A 154 -5.393 -4.370 6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -7.802 -3.474 6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -6.623 -2.567 6.942 1.00 0.00 H new ATOM 0 HG LEU A 154 -7.907 -1.248 5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.963 0.032 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -5.817 -0.413 6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -4.892 -1.303 4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.244 -1.411 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.257 -2.842 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.024 -2.901 3.461 1.00 0.00 H new ATOM 368 N ARG A 155 -7.254 -5.882 5.426 1.00 0.00 N ATOM 369 CA ARG A 155 -7.856 -7.048 4.802 1.00 0.00 C ATOM 370 C ARG A 155 -7.882 -6.884 3.281 1.00 0.00 C ATOM 371 O ARG A 155 -8.143 -5.793 2.776 1.00 0.00 O ATOM 372 CB ARG A 155 -9.282 -7.269 5.309 1.00 0.00 C ATOM 373 CG ARG A 155 -10.158 -6.045 5.031 1.00 0.00 C ATOM 374 CD ARG A 155 -10.338 -5.202 6.295 1.00 0.00 C ATOM 375 NE ARG A 155 -11.263 -5.881 7.230 1.00 0.00 N ATOM 376 CZ ARG A 155 -10.867 -6.623 8.272 1.00 0.00 C ATOM 377 NH1 ARG A 155 -9.560 -6.786 8.520 1.00 0.00 N ATOM 378 NH2 ARG A 155 -11.776 -7.202 9.067 1.00 0.00 N ATOM 0 H ARG A 155 -7.620 -5.656 6.351 1.00 0.00 H new ATOM 0 HA ARG A 155 -7.250 -7.915 5.066 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -9.712 -8.146 4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -9.264 -7.472 6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -9.704 -5.439 4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -11.132 -6.366 4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -9.373 -5.043 6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -10.729 -4.219 6.033 1.00 0.00 H new ATOM 0 HE ARG A 155 -12.265 -5.777 7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -8.867 -6.345 7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -9.258 -7.351 9.314 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -12.771 -7.078 8.879 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -11.473 -7.767 9.860 1.00 0.00 H new ATOM 389 N ASP A 156 -7.607 -7.982 2.594 1.00 0.00 N ATOM 390 CA ASP A 156 -7.596 -7.973 1.141 1.00 0.00 C ATOM 391 C ASP A 156 -6.233 -7.484 0.649 1.00 0.00 C ATOM 392 O ASP A 156 -6.048 -7.246 -0.544 1.00 0.00 O ATOM 393 CB ASP A 156 -8.666 -7.029 0.588 1.00 0.00 C ATOM 394 CG ASP A 156 -9.097 -7.314 -0.852 1.00 0.00 C ATOM 395 OD1 ASP A 156 -9.853 -8.292 -1.035 1.00 0.00 O ATOM 396 OD2 ASP A 156 -8.661 -6.547 -1.738 1.00 0.00 O ATOM 0 H ASP A 156 -7.390 -8.885 3.016 1.00 0.00 H new ATOM 0 HA ASP A 156 -7.797 -8.987 0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -9.544 -7.082 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -8.292 -6.007 0.644 1.00 0.00 H new ATOM 400 N VAL A 157 -5.313 -7.347 1.594 1.00 0.00 N ATOM 401 CA VAL A 157 -3.972 -6.889 1.270 1.00 0.00 C ATOM 402 C VAL A 157 -3.613 -7.336 -0.148 1.00 0.00 C ATOM 403 O VAL A 157 -3.219 -6.518 -0.979 1.00 0.00 O ATOM 404 CB VAL A 157 -2.981 -7.391 2.323 1.00 0.00 C ATOM 405 CG1 VAL A 157 -3.701 -7.755 3.624 1.00 0.00 C ATOM 406 CG2 VAL A 157 -2.171 -8.575 1.794 1.00 0.00 C ATOM 0 H VAL A 157 -5.470 -7.545 2.582 1.00 0.00 H new ATOM 0 HA VAL A 157 -3.925 -5.800 1.289 1.00 0.00 H new ATOM 0 HB VAL A 157 -2.285 -6.581 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -2.974 -8.109 4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -4.211 -6.875 4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -4.431 -8.541 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 157 -1.475 -8.912 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -2.846 -9.390 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -1.614 -8.268 0.909 1.00 0.00 H new ATOM 416 N GLY A 158 -3.763 -8.631 -0.382 1.00 0.00 N ATOM 417 CA GLY A 158 -3.459 -9.196 -1.687 1.00 0.00 C ATOM 418 C GLY A 158 -2.173 -8.596 -2.258 1.00 0.00 C ATOM 419 O GLY A 158 -1.285 -8.195 -1.508 1.00 0.00 O ATOM 0 H GLY A 158 -4.091 -9.306 0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -3.354 -10.278 -1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -4.287 -9.008 -2.370 1.00 0.00 H new ATOM 423 N ASP A 159 -2.115 -8.553 -3.582 1.00 0.00 N ATOM 424 CA ASP A 159 -0.953 -8.009 -4.262 1.00 0.00 C ATOM 425 C ASP A 159 -0.769 -6.545 -3.856 1.00 0.00 C ATOM 426 O ASP A 159 0.358 -6.082 -3.682 1.00 0.00 O ATOM 427 CB ASP A 159 -1.130 -8.059 -5.781 1.00 0.00 C ATOM 428 CG ASP A 159 -0.443 -9.237 -6.473 1.00 0.00 C ATOM 429 OD1 ASP A 159 0.252 -9.990 -5.756 1.00 0.00 O ATOM 430 OD2 ASP A 159 -0.626 -9.358 -7.704 1.00 0.00 O ATOM 0 H ASP A 159 -2.854 -8.886 -4.201 1.00 0.00 H new ATOM 0 HA ASP A 159 -0.087 -8.607 -3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -2.196 -8.096 -6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -0.746 -7.132 -6.207 1.00 0.00 H new ATOM 434 N TRP A 160 -1.892 -5.856 -3.716 1.00 0.00 N ATOM 435 CA TRP A 160 -1.869 -4.455 -3.335 1.00 0.00 C ATOM 436 C TRP A 160 -0.808 -4.279 -2.246 1.00 0.00 C ATOM 437 O TRP A 160 0.171 -3.558 -2.439 1.00 0.00 O ATOM 438 CB TRP A 160 -3.256 -3.982 -2.898 1.00 0.00 C ATOM 439 CG TRP A 160 -3.301 -3.408 -1.480 1.00 0.00 C ATOM 440 CD1 TRP A 160 -3.896 -3.929 -0.398 1.00 0.00 C ATOM 441 CD2 TRP A 160 -2.699 -2.175 -1.032 1.00 0.00 C ATOM 442 NE1 TRP A 160 -3.723 -3.125 0.710 1.00 0.00 N ATOM 443 CE2 TRP A 160 -2.971 -2.025 0.312 1.00 0.00 C ATOM 444 CE3 TRP A 160 -1.950 -1.219 -1.739 1.00 0.00 C ATOM 445 CZ2 TRP A 160 -2.532 -0.930 1.066 1.00 0.00 C ATOM 446 CZ3 TRP A 160 -1.518 -0.131 -0.972 1.00 0.00 C ATOM 447 CH2 TRP A 160 -1.783 0.036 0.382 1.00 0.00 C ATOM 0 H TRP A 160 -2.825 -6.243 -3.860 1.00 0.00 H new ATOM 0 HA TRP A 160 -1.603 -3.829 -4.186 1.00 0.00 H new ATOM 0 HB2 TRP A 160 -3.606 -3.223 -3.597 1.00 0.00 H new ATOM 0 HB3 TRP A 160 -3.951 -4.819 -2.962 1.00 0.00 H new ATOM 0 HD1 TRP A 160 -4.442 -4.861 -0.394 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -4.081 -3.304 1.648 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -1.726 -1.316 -2.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.759 -0.835 2.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -0.937 0.633 -1.468 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -1.413 0.906 0.904 1.00 0.00 H new ATOM 457 N ARG A 161 -1.036 -4.950 -1.127 1.00 0.00 N ATOM 458 CA ARG A 161 -0.113 -4.877 -0.008 1.00 0.00 C ATOM 459 C ARG A 161 1.247 -5.458 -0.403 1.00 0.00 C ATOM 460 O ARG A 161 2.222 -4.723 -0.545 1.00 0.00 O ATOM 461 CB ARG A 161 -0.653 -5.640 1.204 1.00 0.00 C ATOM 462 CG ARG A 161 0.461 -5.923 2.214 1.00 0.00 C ATOM 463 CD ARG A 161 0.884 -7.392 2.164 1.00 0.00 C ATOM 464 NE ARG A 161 0.828 -7.981 3.522 1.00 0.00 N ATOM 465 CZ ARG A 161 0.961 -9.290 3.779 1.00 0.00 C ATOM 466 NH1 ARG A 161 1.158 -10.153 2.775 1.00 0.00 N ATOM 467 NH2 ARG A 161 0.897 -9.733 5.042 1.00 0.00 N ATOM 0 H ARG A 161 -1.848 -5.548 -0.971 1.00 0.00 H new ATOM 0 HA ARG A 161 0.000 -3.826 0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -1.443 -5.060 1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -1.100 -6.579 0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 161 1.320 -5.286 2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 161 0.119 -5.673 3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 161 0.229 -7.945 1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 161 1.895 -7.475 1.764 1.00 0.00 H new ATOM 0 HE ARG A 161 0.679 -7.351 4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 161 1.207 -9.815 1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 161 1.259 -11.149 2.971 1.00 0.00 H new ATOM 0 HH21 ARG A 161 0.747 -9.075 5.806 1.00 0.00 H new ATOM 0 HH22 ARG A 161 0.998 -10.729 5.239 1.00 0.00 H new ATOM 478 N LYS A 162 1.266 -6.772 -0.570 1.00 0.00 N ATOM 479 CA LYS A 162 2.489 -7.461 -0.946 1.00 0.00 C ATOM 480 C LYS A 162 3.412 -6.487 -1.683 1.00 0.00 C ATOM 481 O LYS A 162 4.566 -6.308 -1.297 1.00 0.00 O ATOM 482 CB LYS A 162 2.168 -8.727 -1.744 1.00 0.00 C ATOM 483 CG LYS A 162 3.279 -9.767 -1.591 1.00 0.00 C ATOM 484 CD LYS A 162 3.763 -10.257 -2.958 1.00 0.00 C ATOM 485 CE LYS A 162 2.688 -11.098 -3.650 1.00 0.00 C ATOM 486 NZ LYS A 162 2.987 -11.233 -5.094 1.00 0.00 N ATOM 0 H LYS A 162 0.454 -7.378 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 162 3.024 -7.799 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 162 1.222 -9.147 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 162 2.043 -8.476 -2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 162 4.114 -9.334 -1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 162 2.914 -10.611 -1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 162 4.021 -9.403 -3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 162 4.670 -10.849 -2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 162 2.637 -12.084 -3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 162 1.711 -10.633 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 2.190 -10.863 -5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 3.847 -10.695 -5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 3.134 -12.236 -5.326 1.00 0.00 H new ATOM 496 N ASN A 163 2.867 -5.885 -2.730 1.00 0.00 N ATOM 497 CA ASN A 163 3.627 -4.934 -3.524 1.00 0.00 C ATOM 498 C ASN A 163 4.184 -3.841 -2.609 1.00 0.00 C ATOM 499 O ASN A 163 5.398 -3.704 -2.467 1.00 0.00 O ATOM 500 CB ASN A 163 2.742 -4.263 -4.576 1.00 0.00 C ATOM 501 CG ASN A 163 2.601 -5.146 -5.818 1.00 0.00 C ATOM 502 OD1 ASN A 163 3.505 -5.869 -6.203 1.00 0.00 O ATOM 503 ND2 ASN A 163 1.418 -5.049 -6.419 1.00 0.00 N ATOM 0 H ASN A 163 1.909 -6.037 -3.047 1.00 0.00 H new ATOM 0 HA ASN A 163 4.431 -5.477 -4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 163 1.757 -4.063 -4.154 1.00 0.00 H new ATOM 0 HB3 ASN A 163 3.170 -3.301 -4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 163 1.224 -5.600 -7.255 1.00 0.00 H new ATOM 0 HD22 ASN A 163 0.705 -4.424 -6.044 1.00 0.00 H new ATOM 509 N ILE A 164 3.269 -3.092 -2.011 1.00 0.00 N ATOM 510 CA ILE A 164 3.653 -2.016 -1.113 1.00 0.00 C ATOM 511 C ILE A 164 4.139 -2.611 0.210 1.00 0.00 C ATOM 512 O ILE A 164 4.380 -1.881 1.171 1.00 0.00 O ATOM 513 CB ILE A 164 2.506 -1.015 -0.954 1.00 0.00 C ATOM 514 CG1 ILE A 164 1.240 -1.709 -0.449 1.00 0.00 C ATOM 515 CG2 ILE A 164 2.260 -0.252 -2.257 1.00 0.00 C ATOM 516 CD1 ILE A 164 1.049 -1.477 1.051 1.00 0.00 C ATOM 0 H ILE A 164 2.263 -3.209 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 164 4.484 -1.448 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 164 2.794 -0.282 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 164 0.373 -1.332 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 164 1.302 -2.778 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 164 1.440 0.453 -2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 164 3.162 0.292 -2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 164 2.002 -0.956 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 164 0.142 -1.981 1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 164 1.906 -1.876 1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 164 0.963 -0.408 1.246 1.00 0.00 H new ATOM 527 N GLU A 165 4.268 -3.929 0.218 1.00 0.00 N ATOM 528 CA GLU A 165 4.719 -4.629 1.408 1.00 0.00 C ATOM 529 C GLU A 165 6.238 -4.814 1.371 1.00 0.00 C ATOM 530 O GLU A 165 6.905 -4.704 2.398 1.00 0.00 O ATOM 531 CB GLU A 165 4.008 -5.976 1.555 1.00 0.00 C ATOM 532 CG GLU A 165 3.922 -6.393 3.024 1.00 0.00 C ATOM 533 CD GLU A 165 4.133 -7.900 3.179 1.00 0.00 C ATOM 534 OE1 GLU A 165 3.863 -8.616 2.191 1.00 0.00 O ATOM 535 OE2 GLU A 165 4.559 -8.303 4.283 1.00 0.00 O ATOM 0 H GLU A 165 4.068 -4.531 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 165 4.466 -4.024 2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 165 3.005 -5.910 1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 165 4.543 -6.738 0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 165 4.673 -5.856 3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 165 2.949 -6.115 3.428 1.00 0.00 H new ATOM 540 N GLU A 166 6.740 -5.090 0.176 1.00 0.00 N ATOM 541 CA GLU A 166 8.166 -5.290 -0.009 1.00 0.00 C ATOM 542 C GLU A 166 8.821 -4.006 -0.522 1.00 0.00 C ATOM 543 O GLU A 166 9.856 -3.584 -0.009 1.00 0.00 O ATOM 544 CB GLU A 166 8.439 -6.461 -0.956 1.00 0.00 C ATOM 545 CG GLU A 166 9.910 -6.496 -1.375 1.00 0.00 C ATOM 546 CD GLU A 166 10.533 -7.859 -1.068 1.00 0.00 C ATOM 547 OE1 GLU A 166 10.525 -8.231 0.125 1.00 0.00 O ATOM 548 OE2 GLU A 166 11.006 -8.497 -2.034 1.00 0.00 O ATOM 0 H GLU A 166 6.183 -5.180 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 166 8.605 -5.538 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 166 8.174 -7.398 -0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 166 7.807 -6.373 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 166 9.994 -6.285 -2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 166 10.460 -5.714 -0.851 1.00 0.00 H new ATOM 553 N LYS A 167 8.189 -3.420 -1.528 1.00 0.00 N ATOM 554 CA LYS A 167 8.697 -2.192 -2.117 1.00 0.00 C ATOM 555 C LYS A 167 8.092 -0.993 -1.385 1.00 0.00 C ATOM 556 O LYS A 167 7.388 -0.184 -1.986 1.00 0.00 O ATOM 557 CB LYS A 167 8.450 -2.179 -3.627 1.00 0.00 C ATOM 558 CG LYS A 167 6.952 -2.133 -3.937 1.00 0.00 C ATOM 559 CD LYS A 167 6.658 -1.153 -5.074 1.00 0.00 C ATOM 560 CE LYS A 167 7.064 -1.744 -6.426 1.00 0.00 C ATOM 561 NZ LYS A 167 7.506 -0.673 -7.348 1.00 0.00 N ATOM 0 H LYS A 167 7.330 -3.772 -1.950 1.00 0.00 H new ATOM 0 HA LYS A 167 9.778 -2.129 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 167 8.944 -1.315 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 167 8.892 -3.067 -4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 167 6.603 -3.129 -4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 167 6.401 -1.836 -3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 167 5.596 -0.910 -5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 167 7.197 -0.221 -4.904 1.00 0.00 H new ATOM 0 HE2 LYS A 167 7.868 -2.467 -6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 167 6.222 -2.283 -6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 7.778 -1.091 -8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 6.728 0.002 -7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 8.323 -0.177 -6.938 1.00 0.00 H new ATOM 571 N SER A 168 8.390 -0.915 -0.096 1.00 0.00 N ATOM 572 CA SER A 168 7.884 0.172 0.725 1.00 0.00 C ATOM 573 C SER A 168 8.855 0.456 1.873 1.00 0.00 C ATOM 574 O SER A 168 9.557 1.465 1.862 1.00 0.00 O ATOM 575 CB SER A 168 6.493 -0.152 1.273 1.00 0.00 C ATOM 576 OG SER A 168 6.505 -1.305 2.110 1.00 0.00 O ATOM 0 H SER A 168 8.976 -1.587 0.400 1.00 0.00 H new ATOM 0 HA SER A 168 7.800 1.061 0.101 1.00 0.00 H new ATOM 0 HB2 SER A 168 6.118 0.702 1.837 1.00 0.00 H new ATOM 0 HB3 SER A 168 5.805 -0.313 0.443 1.00 0.00 H new ATOM 0 HG SER A 168 5.718 -1.857 1.918 1.00 0.00 H new ATOM 581 N GLY A 169 8.863 -0.454 2.837 1.00 0.00 N ATOM 582 CA GLY A 169 9.735 -0.313 3.990 1.00 0.00 C ATOM 583 C GLY A 169 11.206 -0.400 3.579 1.00 0.00 C ATOM 584 O GLY A 169 11.978 0.526 3.822 1.00 0.00 O ATOM 0 H GLY A 169 8.280 -1.291 2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 169 9.546 0.643 4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 169 9.510 -1.093 4.718 1.00 0.00 H new