USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=3 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= -0.275 F(o=-1.5,f=-0.28) USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN : amide:sc= -1.11! C(o=-1.1!,f=-5.1!) USER MOD Single : A 142 GLN : amide:sc= -1.73 K(o=-1.7,f=-2.2!) 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= -0.24 X(o=-0.24,f=-0.11) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc=-0.00155 (180deg=-0.00155) USER MOD Single : A 168 SER OG : rot -90:sc= -1.42 USER MOD ----------------------------------------------------------------- ATOM 19 N VAL A 132 -21.466 -6.092 3.283 1.00 0.00 N ATOM 20 CA VAL A 132 -21.414 -4.666 3.003 1.00 0.00 C ATOM 21 C VAL A 132 -20.512 -3.982 4.033 1.00 0.00 C ATOM 22 O VAL A 132 -19.511 -3.364 3.673 1.00 0.00 O ATOM 23 CB VAL A 132 -22.829 -4.087 2.968 1.00 0.00 C ATOM 24 CG1 VAL A 132 -22.796 -2.572 2.754 1.00 0.00 C ATOM 25 CG2 VAL A 132 -23.677 -4.774 1.897 1.00 0.00 C ATOM 0 HA VAL A 132 -20.980 -4.485 2.020 1.00 0.00 H new ATOM 0 HB VAL A 132 -23.293 -4.279 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -23.815 -2.185 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -22.246 -2.101 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -22.304 -2.349 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -24.678 -4.343 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -23.216 -4.629 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -23.742 -5.840 2.113 1.00 0.00 H new ATOM 35 N ASN A 133 -20.899 -4.117 5.292 1.00 0.00 N ATOM 36 CA ASN A 133 -20.137 -3.519 6.377 1.00 0.00 C ATOM 37 C ASN A 133 -18.647 -3.580 6.041 1.00 0.00 C ATOM 38 O ASN A 133 -17.896 -2.659 6.361 1.00 0.00 O ATOM 39 CB ASN A 133 -20.359 -4.276 7.687 1.00 0.00 C ATOM 40 CG ASN A 133 -20.877 -5.692 7.423 1.00 0.00 C ATOM 41 OD1 ASN A 133 -19.951 -6.528 6.960 1.00 0.00 O flip ATOM 42 ND2 ASN A 133 -22.038 -6.004 7.625 1.00 0.00 N flip ATOM 0 H ASN A 133 -21.729 -4.631 5.586 1.00 0.00 H new ATOM 0 HA ASN A 133 -20.470 -2.488 6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -19.424 -4.325 8.245 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -21.073 -3.734 8.308 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -22.697 -5.312 7.982 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -22.350 -6.957 7.438 1.00 0.00 H new ATOM 48 N MET A 134 -18.260 -4.673 5.401 1.00 0.00 N ATOM 49 CA MET A 134 -16.872 -4.867 5.018 1.00 0.00 C ATOM 50 C MET A 134 -16.508 -3.994 3.815 1.00 0.00 C ATOM 51 O MET A 134 -15.576 -3.195 3.884 1.00 0.00 O ATOM 52 CB MET A 134 -16.637 -6.338 4.671 1.00 0.00 C ATOM 53 CG MET A 134 -16.604 -7.201 5.935 1.00 0.00 C ATOM 54 SD MET A 134 -14.963 -7.859 6.181 1.00 0.00 S ATOM 55 CE MET A 134 -15.129 -8.496 7.840 1.00 0.00 C ATOM 0 H MET A 134 -18.885 -5.435 5.137 1.00 0.00 H new ATOM 0 HA MET A 134 -16.240 -4.578 5.858 1.00 0.00 H new ATOM 0 HB2 MET A 134 -17.427 -6.689 4.007 1.00 0.00 H new ATOM 0 HB3 MET A 134 -15.696 -6.442 4.131 1.00 0.00 H new ATOM 0 HG2 MET A 134 -16.900 -6.606 6.799 1.00 0.00 H new ATOM 0 HG3 MET A 134 -17.322 -8.016 5.848 1.00 0.00 H new ATOM 0 HE1 MET A 134 -14.187 -8.946 8.153 1.00 0.00 H new ATOM 0 HE2 MET A 134 -15.386 -7.682 8.518 1.00 0.00 H new ATOM 0 HE3 MET A 134 -15.916 -9.250 7.863 1.00 0.00 H new ATOM 63 N ASP A 135 -17.263 -4.177 2.743 1.00 0.00 N ATOM 64 CA ASP A 135 -17.032 -3.417 1.527 1.00 0.00 C ATOM 65 C ASP A 135 -16.910 -1.931 1.874 1.00 0.00 C ATOM 66 O ASP A 135 -16.237 -1.179 1.172 1.00 0.00 O ATOM 67 CB ASP A 135 -18.195 -3.579 0.546 1.00 0.00 C ATOM 68 CG ASP A 135 -17.931 -3.045 -0.864 1.00 0.00 C ATOM 69 OD1 ASP A 135 -16.757 -2.715 -1.135 1.00 0.00 O ATOM 70 OD2 ASP A 135 -18.910 -2.981 -1.638 1.00 0.00 O ATOM 0 H ASP A 135 -18.036 -4.841 2.691 1.00 0.00 H new ATOM 0 HA ASP A 135 -16.117 -3.789 1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -18.447 -4.637 0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -19.068 -3.070 0.954 1.00 0.00 H new ATOM 74 N LEU A 136 -17.574 -1.554 2.957 1.00 0.00 N ATOM 75 CA LEU A 136 -17.548 -0.172 3.407 1.00 0.00 C ATOM 76 C LEU A 136 -16.226 0.101 4.127 1.00 0.00 C ATOM 77 O LEU A 136 -15.522 1.053 3.799 1.00 0.00 O ATOM 78 CB LEU A 136 -18.786 0.139 4.251 1.00 0.00 C ATOM 79 CG LEU A 136 -18.844 1.541 4.863 1.00 0.00 C ATOM 80 CD1 LEU A 136 -19.122 2.596 3.791 1.00 0.00 C ATOM 81 CD2 LEU A 136 -19.864 1.599 6.002 1.00 0.00 C ATOM 0 H LEU A 136 -18.133 -2.181 3.536 1.00 0.00 H new ATOM 0 HA LEU A 136 -17.592 0.508 2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -19.670 -0.002 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -18.844 -0.591 5.058 1.00 0.00 H new ATOM 0 HG LEU A 136 -17.868 1.768 5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -19.158 3.583 4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -18.329 2.574 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -20.078 2.384 3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -19.886 2.605 6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -20.852 1.343 5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -19.582 0.889 6.780 1.00 0.00 H new ATOM 92 N ARG A 137 -15.932 -0.751 5.098 1.00 0.00 N ATOM 93 CA ARG A 137 -14.707 -0.614 5.869 1.00 0.00 C ATOM 94 C ARG A 137 -13.525 -0.324 4.941 1.00 0.00 C ATOM 95 O ARG A 137 -12.821 0.668 5.119 1.00 0.00 O ATOM 96 CB ARG A 137 -14.416 -1.883 6.672 1.00 0.00 C ATOM 97 CG ARG A 137 -15.587 -2.229 7.594 1.00 0.00 C ATOM 98 CD ARG A 137 -15.137 -2.282 9.056 1.00 0.00 C ATOM 99 NE ARG A 137 -16.317 -2.263 9.949 1.00 0.00 N ATOM 100 CZ ARG A 137 -16.247 -2.148 11.282 1.00 0.00 C ATOM 101 NH1 ARG A 137 -15.054 -2.043 11.884 1.00 0.00 N ATOM 102 NH2 ARG A 137 -17.369 -2.140 12.014 1.00 0.00 N ATOM 0 H ARG A 137 -16.521 -1.539 5.369 1.00 0.00 H new ATOM 0 HA ARG A 137 -14.843 0.217 6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -14.227 -2.713 5.991 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -13.511 -1.744 7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -16.376 -1.486 7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -16.010 -3.191 7.305 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -14.551 -3.184 9.233 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -14.490 -1.433 9.277 1.00 0.00 H new ATOM 0 HE ARG A 137 -17.241 -2.342 9.523 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -14.199 -2.051 11.327 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -15.001 -1.955 12.899 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -18.277 -2.222 11.557 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -17.315 -2.052 13.029 1.00 0.00 H new ATOM 113 N ALA A 138 -13.345 -1.208 3.971 1.00 0.00 N ATOM 114 CA ALA A 138 -12.261 -1.060 3.014 1.00 0.00 C ATOM 115 C ALA A 138 -12.524 0.167 2.139 1.00 0.00 C ATOM 116 O ALA A 138 -11.657 1.026 1.992 1.00 0.00 O ATOM 117 CB ALA A 138 -12.125 -2.344 2.194 1.00 0.00 C ATOM 0 H ALA A 138 -13.932 -2.030 3.827 1.00 0.00 H new ATOM 0 HA ALA A 138 -11.313 -0.901 3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -11.312 -2.233 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -11.910 -3.180 2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -13.056 -2.535 1.661 1.00 0.00 H new ATOM 123 N ASN A 139 -13.725 0.209 1.580 1.00 0.00 N ATOM 124 CA ASN A 139 -14.113 1.316 0.722 1.00 0.00 C ATOM 125 C ASN A 139 -13.504 2.612 1.263 1.00 0.00 C ATOM 126 O ASN A 139 -12.774 3.302 0.554 1.00 0.00 O ATOM 127 CB ASN A 139 -15.633 1.484 0.693 1.00 0.00 C ATOM 128 CG ASN A 139 -16.023 2.858 0.144 1.00 0.00 C ATOM 129 OD1 ASN A 139 -15.783 3.888 0.751 1.00 0.00 O ATOM 130 ND2 ASN A 139 -16.636 2.815 -1.036 1.00 0.00 N ATOM 0 H ASN A 139 -14.442 -0.506 1.705 1.00 0.00 H new ATOM 0 HA ASN A 139 -13.755 1.104 -0.285 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -16.077 0.703 0.076 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -16.035 1.363 1.699 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -16.936 3.679 -1.487 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -16.806 1.918 -1.490 1.00 0.00 H new ATOM 136 N LEU A 140 -13.828 2.901 2.514 1.00 0.00 N ATOM 137 CA LEU A 140 -13.322 4.102 3.159 1.00 0.00 C ATOM 138 C LEU A 140 -11.840 3.913 3.492 1.00 0.00 C ATOM 139 O LEU A 140 -11.041 4.832 3.325 1.00 0.00 O ATOM 140 CB LEU A 140 -14.183 4.462 4.371 1.00 0.00 C ATOM 141 CG LEU A 140 -14.748 5.885 4.393 1.00 0.00 C ATOM 142 CD1 LEU A 140 -13.624 6.921 4.437 1.00 0.00 C ATOM 143 CD2 LEU A 140 -15.696 6.116 3.215 1.00 0.00 C ATOM 0 H LEU A 140 -14.434 2.325 3.099 1.00 0.00 H new ATOM 0 HA LEU A 140 -13.390 4.954 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -15.016 3.761 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -13.587 4.315 5.272 1.00 0.00 H new ATOM 0 HG LEU A 140 -15.332 6.007 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -14.053 7.923 4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -13.025 6.770 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -12.992 6.810 3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -16.083 7.134 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -15.156 5.969 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -16.525 5.410 3.271 1.00 0.00 H new ATOM 172 N GLN A 142 -9.066 0.797 2.864 1.00 0.00 N ATOM 173 CA GLN A 142 -8.317 0.353 1.701 1.00 0.00 C ATOM 174 C GLN A 142 -6.886 0.894 1.753 1.00 0.00 C ATOM 175 O GLN A 142 -6.500 1.543 2.724 1.00 0.00 O ATOM 176 CB GLN A 142 -9.016 0.773 0.406 1.00 0.00 C ATOM 177 CG GLN A 142 -10.027 -0.283 -0.039 1.00 0.00 C ATOM 178 CD GLN A 142 -10.866 0.220 -1.216 1.00 0.00 C ATOM 179 OE1 GLN A 142 -12.072 0.050 -1.269 1.00 0.00 O ATOM 180 NE2 GLN A 142 -10.160 0.849 -2.153 1.00 0.00 N ATOM 0 HA GLN A 142 -8.273 -0.736 1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -9.523 1.726 0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -8.275 0.925 -0.379 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -9.503 -1.195 -0.325 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -10.681 -0.539 0.795 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -9.151 0.957 -2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -10.628 1.223 -2.979 1.00 0.00 H new ATOM 187 N VAL A 143 -6.141 0.605 0.697 1.00 0.00 N ATOM 188 CA VAL A 143 -4.762 1.054 0.611 1.00 0.00 C ATOM 189 C VAL A 143 -4.672 2.508 1.077 1.00 0.00 C ATOM 190 O VAL A 143 -5.227 3.403 0.441 1.00 0.00 O ATOM 191 CB VAL A 143 -4.234 0.849 -0.811 1.00 0.00 C ATOM 192 CG1 VAL A 143 -5.357 0.994 -1.840 1.00 0.00 C ATOM 193 CG2 VAL A 143 -3.085 1.815 -1.113 1.00 0.00 C ATOM 0 H VAL A 143 -6.466 0.066 -0.106 1.00 0.00 H new ATOM 0 HA VAL A 143 -4.126 0.462 1.270 1.00 0.00 H new ATOM 0 HB VAL A 143 -3.846 -0.167 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -4.954 0.844 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.129 0.250 -1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -5.789 1.992 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -2.728 1.649 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -3.438 2.842 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -2.271 1.643 -0.409 1.00 0.00 H new ATOM 203 N LYS A 144 -3.972 2.699 2.185 1.00 0.00 N ATOM 204 CA LYS A 144 -3.803 4.029 2.745 1.00 0.00 C ATOM 205 C LYS A 144 -2.345 4.464 2.584 1.00 0.00 C ATOM 206 O LYS A 144 -1.629 4.622 3.571 1.00 0.00 O ATOM 207 CB LYS A 144 -4.301 4.069 4.191 1.00 0.00 C ATOM 208 CG LYS A 144 -5.808 3.815 4.259 1.00 0.00 C ATOM 209 CD LYS A 144 -6.506 4.880 5.107 1.00 0.00 C ATOM 210 CE LYS A 144 -7.834 5.301 4.474 1.00 0.00 C ATOM 211 NZ LYS A 144 -7.781 6.720 4.054 1.00 0.00 N ATOM 0 H LYS A 144 -3.515 1.954 2.711 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.413 4.751 2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -3.775 3.319 4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -4.072 5.039 4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -6.226 3.815 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -5.995 2.828 4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -6.684 4.492 6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -5.857 5.749 5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -8.050 4.669 3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -8.646 5.157 5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -8.690 6.990 3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -7.596 7.321 4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -7.019 6.848 3.357 1.00 0.00 H new ATOM 221 N LYS A 145 -1.949 4.646 1.333 1.00 0.00 N ATOM 222 CA LYS A 145 -0.590 5.059 1.031 1.00 0.00 C ATOM 223 C LYS A 145 -0.411 6.530 1.415 1.00 0.00 C ATOM 224 O LYS A 145 -1.097 7.401 0.884 1.00 0.00 O ATOM 225 CB LYS A 145 -0.252 4.761 -0.431 1.00 0.00 C ATOM 226 CG LYS A 145 1.022 3.919 -0.539 1.00 0.00 C ATOM 227 CD LYS A 145 1.645 4.041 -1.931 1.00 0.00 C ATOM 228 CE LYS A 145 3.150 3.773 -1.883 1.00 0.00 C ATOM 229 NZ LYS A 145 3.770 4.055 -3.197 1.00 0.00 N ATOM 0 H LYS A 145 -2.546 4.515 0.517 1.00 0.00 H new ATOM 0 HA LYS A 145 0.123 4.485 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 145 -1.082 4.232 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -0.121 5.696 -0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 145 1.740 4.242 0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 145 0.790 2.874 -0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 145 1.168 3.335 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 145 1.462 5.039 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 145 3.612 4.395 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 145 3.332 2.735 -1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 4.792 3.868 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 3.342 3.444 -3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 3.613 5.052 -3.448 1.00 0.00 H new ATOM 239 N GLU A 146 0.514 6.760 2.336 1.00 0.00 N ATOM 240 CA GLU A 146 0.791 8.109 2.797 1.00 0.00 C ATOM 241 C GLU A 146 2.176 8.556 2.327 1.00 0.00 C ATOM 242 O GLU A 146 2.686 9.583 2.774 1.00 0.00 O ATOM 243 CB GLU A 146 0.671 8.203 4.319 1.00 0.00 C ATOM 244 CG GLU A 146 -0.328 9.288 4.725 1.00 0.00 C ATOM 245 CD GLU A 146 -0.019 10.610 4.018 1.00 0.00 C ATOM 246 OE1 GLU A 146 1.155 11.035 4.101 1.00 0.00 O ATOM 247 OE2 GLU A 146 -0.961 11.165 3.414 1.00 0.00 O ATOM 0 H GLU A 146 1.081 6.034 2.775 1.00 0.00 H new ATOM 0 HA GLU A 146 0.049 8.780 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.353 7.242 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 146 1.647 8.423 4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -1.340 8.967 4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -0.295 9.432 5.805 1.00 0.00 H new ATOM 252 N ASP A 147 2.747 7.763 1.432 1.00 0.00 N ATOM 253 CA ASP A 147 4.064 8.066 0.897 1.00 0.00 C ATOM 254 C ASP A 147 4.699 6.780 0.362 1.00 0.00 C ATOM 255 O ASP A 147 4.562 6.461 -0.818 1.00 0.00 O ATOM 256 CB ASP A 147 4.984 8.630 1.982 1.00 0.00 C ATOM 257 CG ASP A 147 5.099 10.156 2.002 1.00 0.00 C ATOM 258 OD1 ASP A 147 4.879 10.756 0.927 1.00 0.00 O ATOM 259 OD2 ASP A 147 5.405 10.688 3.090 1.00 0.00 O ATOM 0 H ASP A 147 2.322 6.912 1.064 1.00 0.00 H new ATOM 0 HA ASP A 147 3.944 8.806 0.105 1.00 0.00 H new ATOM 0 HB2 ASP A 147 4.623 8.295 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 147 5.980 8.207 1.849 1.00 0.00 H new ATOM 263 N THR A 148 5.381 6.079 1.255 1.00 0.00 N ATOM 264 CA THR A 148 6.038 4.836 0.887 1.00 0.00 C ATOM 265 C THR A 148 6.152 3.912 2.102 1.00 0.00 C ATOM 266 O THR A 148 5.759 2.748 2.041 1.00 0.00 O ATOM 267 CB THR A 148 7.389 5.182 0.259 1.00 0.00 C ATOM 268 OG1 THR A 148 8.010 3.917 0.050 1.00 0.00 O ATOM 269 CG2 THR A 148 8.323 5.899 1.236 1.00 0.00 C ATOM 0 H THR A 148 5.493 6.348 2.233 1.00 0.00 H new ATOM 0 HA THR A 148 5.453 4.284 0.151 1.00 0.00 H new ATOM 0 HB THR A 148 7.231 5.809 -0.618 1.00 0.00 H new ATOM 0 HG1 THR A 148 8.892 4.049 -0.356 1.00 0.00 H new ATOM 0 HG21 THR A 148 9.268 6.121 0.740 1.00 0.00 H new ATOM 0 HG22 THR A 148 7.859 6.828 1.567 1.00 0.00 H new ATOM 0 HG23 THR A 148 8.508 5.259 2.098 1.00 0.00 H new ATOM 277 N GLU A 149 6.691 4.467 3.178 1.00 0.00 N ATOM 278 CA GLU A 149 6.861 3.708 4.405 1.00 0.00 C ATOM 279 C GLU A 149 5.688 3.962 5.354 1.00 0.00 C ATOM 280 O GLU A 149 5.735 3.579 6.521 1.00 0.00 O ATOM 281 CB GLU A 149 8.194 4.047 5.078 1.00 0.00 C ATOM 282 CG GLU A 149 8.294 5.544 5.372 1.00 0.00 C ATOM 283 CD GLU A 149 9.520 6.156 4.691 1.00 0.00 C ATOM 284 OE1 GLU A 149 10.638 5.871 5.172 1.00 0.00 O ATOM 285 OE2 GLU A 149 9.312 6.894 3.704 1.00 0.00 O ATOM 0 H GLU A 149 7.015 5.433 3.225 1.00 0.00 H new ATOM 0 HA GLU A 149 6.876 2.647 4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 149 8.291 3.483 6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 149 9.019 3.743 4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 149 7.392 6.047 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 149 8.354 5.704 6.449 1.00 0.00 H new ATOM 290 N LYS A 150 4.662 4.606 4.815 1.00 0.00 N ATOM 291 CA LYS A 150 3.478 4.914 5.599 1.00 0.00 C ATOM 292 C LYS A 150 2.231 4.487 4.821 1.00 0.00 C ATOM 293 O LYS A 150 1.314 5.284 4.626 1.00 0.00 O ATOM 294 CB LYS A 150 3.475 6.390 6.005 1.00 0.00 C ATOM 295 CG LYS A 150 4.902 6.932 6.115 1.00 0.00 C ATOM 296 CD LYS A 150 5.639 6.299 7.296 1.00 0.00 C ATOM 297 CE LYS A 150 6.262 7.371 8.193 1.00 0.00 C ATOM 298 NZ LYS A 150 5.436 7.578 9.404 1.00 0.00 N ATOM 0 H LYS A 150 4.627 4.922 3.846 1.00 0.00 H new ATOM 0 HA LYS A 150 3.480 4.350 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 150 2.917 6.971 5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.963 6.507 6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 150 5.444 6.728 5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 150 4.875 8.015 6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 150 4.946 5.691 7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 150 6.417 5.631 6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 150 7.270 7.072 8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 150 6.352 8.307 7.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 5.873 8.308 10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 4.482 7.884 9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 5.372 6.687 9.937 1.00 0.00 H new ATOM 308 N GLU A 151 2.238 3.232 4.398 1.00 0.00 N ATOM 309 CA GLU A 151 1.120 2.690 3.646 1.00 0.00 C ATOM 310 C GLU A 151 0.341 1.688 4.501 1.00 0.00 C ATOM 311 O GLU A 151 0.793 0.563 4.709 1.00 0.00 O ATOM 312 CB GLU A 151 1.595 2.046 2.342 1.00 0.00 C ATOM 313 CG GLU A 151 3.045 1.574 2.462 1.00 0.00 C ATOM 314 CD GLU A 151 3.185 0.501 3.544 1.00 0.00 C ATOM 315 OE1 GLU A 151 2.770 -0.645 3.264 1.00 0.00 O ATOM 316 OE2 GLU A 151 3.702 0.851 4.626 1.00 0.00 O ATOM 0 H GLU A 151 3.001 2.575 4.562 1.00 0.00 H new ATOM 0 HA GLU A 151 0.452 3.511 3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 151 0.953 1.201 2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 151 1.508 2.763 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 151 3.382 1.176 1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 151 3.688 2.421 2.700 1.00 0.00 H new ATOM 321 N LYS A 152 -0.815 2.131 4.972 1.00 0.00 N ATOM 322 CA LYS A 152 -1.659 1.287 5.798 1.00 0.00 C ATOM 323 C LYS A 152 -2.255 0.170 4.939 1.00 0.00 C ATOM 324 O LYS A 152 -3.094 0.426 4.077 1.00 0.00 O ATOM 325 CB LYS A 152 -2.710 2.128 6.527 1.00 0.00 C ATOM 326 CG LYS A 152 -2.663 1.879 8.036 1.00 0.00 C ATOM 327 CD LYS A 152 -1.404 2.493 8.654 1.00 0.00 C ATOM 328 CE LYS A 152 -1.686 3.014 10.065 1.00 0.00 C ATOM 329 NZ LYS A 152 -1.031 4.325 10.273 1.00 0.00 N ATOM 0 H LYS A 152 -1.187 3.065 4.797 1.00 0.00 H new ATOM 0 HA LYS A 152 -1.068 0.808 6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -2.539 3.185 6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -3.702 1.886 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -3.549 2.306 8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -2.683 0.807 8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -0.610 1.747 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -1.046 3.309 8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -2.761 3.110 10.216 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -1.323 2.298 10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -1.232 4.665 11.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -0.003 4.223 10.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -1.397 5.010 9.581 1.00 0.00 H new ATOM 339 N ASP A 153 -1.795 -1.045 5.203 1.00 0.00 N ATOM 340 CA ASP A 153 -2.272 -2.202 4.464 1.00 0.00 C ATOM 341 C ASP A 153 -3.347 -2.918 5.284 1.00 0.00 C ATOM 342 O ASP A 153 -3.192 -3.105 6.490 1.00 0.00 O ATOM 343 CB ASP A 153 -1.137 -3.194 4.202 1.00 0.00 C ATOM 344 CG ASP A 153 -0.825 -4.140 5.364 1.00 0.00 C ATOM 345 OD1 ASP A 153 -0.887 -3.662 6.517 1.00 0.00 O ATOM 346 OD2 ASP A 153 -0.530 -5.319 5.072 1.00 0.00 O ATOM 0 H ASP A 153 -1.098 -1.253 5.918 1.00 0.00 H new ATOM 0 HA ASP A 153 -2.672 -1.853 3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -1.391 -3.790 3.326 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -0.235 -2.634 3.956 1.00 0.00 H new ATOM 350 N LEU A 154 -4.414 -3.299 4.597 1.00 0.00 N ATOM 351 CA LEU A 154 -5.514 -3.992 5.247 1.00 0.00 C ATOM 352 C LEU A 154 -6.242 -4.861 4.219 1.00 0.00 C ATOM 353 O LEU A 154 -5.718 -5.121 3.137 1.00 0.00 O ATOM 354 CB LEU A 154 -6.425 -2.993 5.965 1.00 0.00 C ATOM 355 CG LEU A 154 -6.551 -1.613 5.316 1.00 0.00 C ATOM 356 CD1 LEU A 154 -5.224 -0.854 5.382 1.00 0.00 C ATOM 357 CD2 LEU A 154 -7.076 -1.726 3.884 1.00 0.00 C ATOM 0 H LEU A 154 -4.540 -3.141 3.597 1.00 0.00 H new ATOM 0 HA LEU A 154 -5.140 -4.661 6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -7.421 -3.429 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -6.056 -2.862 6.982 1.00 0.00 H new ATOM 0 HG LEU A 154 -7.282 -1.035 5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.340 0.124 4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.930 -0.725 6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -4.455 -1.419 4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.156 -0.731 3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.389 -2.329 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.058 -2.199 3.893 1.00 0.00 H new ATOM 368 N ARG A 155 -7.440 -5.285 4.594 1.00 0.00 N ATOM 369 CA ARG A 155 -8.246 -6.119 3.718 1.00 0.00 C ATOM 370 C ARG A 155 -7.862 -5.880 2.256 1.00 0.00 C ATOM 371 O ARG A 155 -7.645 -4.741 1.846 1.00 0.00 O ATOM 372 CB ARG A 155 -9.737 -5.829 3.900 1.00 0.00 C ATOM 373 CG ARG A 155 -10.025 -4.332 3.775 1.00 0.00 C ATOM 374 CD ARG A 155 -10.255 -3.701 5.150 1.00 0.00 C ATOM 375 NE ARG A 155 -11.410 -4.344 5.815 1.00 0.00 N ATOM 376 CZ ARG A 155 -11.851 -4.017 7.037 1.00 0.00 C ATOM 377 NH1 ARG A 155 -11.236 -3.052 7.735 1.00 0.00 N ATOM 378 NH2 ARG A 155 -12.907 -4.654 7.561 1.00 0.00 N ATOM 0 H ARG A 155 -7.872 -5.067 5.492 1.00 0.00 H new ATOM 0 HA ARG A 155 -8.055 -7.159 3.982 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -10.311 -6.377 3.153 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -10.064 -6.185 4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -9.190 -3.838 3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -10.904 -4.178 3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -9.362 -3.813 5.765 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -10.436 -2.631 5.043 1.00 0.00 H new ATOM 0 HE ARG A 155 -11.901 -5.083 5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -10.433 -2.567 7.336 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -11.572 -2.803 8.665 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -13.375 -5.388 7.029 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -13.243 -4.405 8.491 1.00 0.00 H new ATOM 389 N ASP A 156 -7.791 -6.973 1.510 1.00 0.00 N ATOM 390 CA ASP A 156 -7.437 -6.896 0.103 1.00 0.00 C ATOM 391 C ASP A 156 -5.914 -6.881 -0.035 1.00 0.00 C ATOM 392 O ASP A 156 -5.386 -6.923 -1.147 1.00 0.00 O ATOM 393 CB ASP A 156 -7.982 -5.616 -0.533 1.00 0.00 C ATOM 394 CG ASP A 156 -8.136 -5.665 -2.055 1.00 0.00 C ATOM 395 OD1 ASP A 156 -8.111 -6.794 -2.592 1.00 0.00 O ATOM 396 OD2 ASP A 156 -8.274 -4.573 -2.646 1.00 0.00 O ATOM 0 H ASP A 156 -7.973 -7.916 1.853 1.00 0.00 H new ATOM 0 HA ASP A 156 -7.868 -7.761 -0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -8.954 -5.394 -0.092 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -7.319 -4.790 -0.276 1.00 0.00 H new ATOM 400 N VAL A 157 -5.248 -6.821 1.109 1.00 0.00 N ATOM 401 CA VAL A 157 -3.795 -6.800 1.129 1.00 0.00 C ATOM 402 C VAL A 157 -3.260 -7.729 0.037 1.00 0.00 C ATOM 403 O VAL A 157 -2.892 -7.273 -1.044 1.00 0.00 O ATOM 404 CB VAL A 157 -3.286 -7.165 2.525 1.00 0.00 C ATOM 405 CG1 VAL A 157 -2.735 -5.932 3.247 1.00 0.00 C ATOM 406 CG2 VAL A 157 -4.384 -7.837 3.351 1.00 0.00 C ATOM 0 H VAL A 157 -5.688 -6.786 2.029 1.00 0.00 H new ATOM 0 HA VAL A 157 -3.425 -5.798 0.913 1.00 0.00 H new ATOM 0 HB VAL A 157 -2.470 -7.879 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -2.380 -6.218 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.909 -5.513 2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -3.523 -5.186 3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 157 -3.996 -8.086 4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -5.229 -7.157 3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -4.711 -8.748 2.849 1.00 0.00 H new ATOM 416 N GLY A 158 -3.234 -9.014 0.359 1.00 0.00 N ATOM 417 CA GLY A 158 -2.750 -10.011 -0.581 1.00 0.00 C ATOM 418 C GLY A 158 -1.612 -9.451 -1.436 1.00 0.00 C ATOM 419 O GLY A 158 -0.518 -9.201 -0.934 1.00 0.00 O ATOM 0 H GLY A 158 -3.540 -9.388 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -2.403 -10.890 -0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -3.567 -10.336 -1.225 1.00 0.00 H new ATOM 423 N ASP A 159 -1.909 -9.271 -2.716 1.00 0.00 N ATOM 424 CA ASP A 159 -0.924 -8.745 -3.645 1.00 0.00 C ATOM 425 C ASP A 159 -0.653 -7.276 -3.318 1.00 0.00 C ATOM 426 O ASP A 159 0.472 -6.908 -2.979 1.00 0.00 O ATOM 427 CB ASP A 159 -1.431 -8.822 -5.087 1.00 0.00 C ATOM 428 CG ASP A 159 -2.304 -10.038 -5.400 1.00 0.00 C ATOM 429 OD1 ASP A 159 -3.368 -10.156 -4.753 1.00 0.00 O ATOM 430 OD2 ASP A 159 -1.890 -10.823 -6.281 1.00 0.00 O ATOM 0 H ASP A 159 -2.817 -9.480 -3.130 1.00 0.00 H new ATOM 0 HA ASP A 159 -0.017 -9.342 -3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -2.001 -7.919 -5.305 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -0.572 -8.827 -5.759 1.00 0.00 H new ATOM 434 N TRP A 160 -1.702 -6.474 -3.430 1.00 0.00 N ATOM 435 CA TRP A 160 -1.591 -5.053 -3.148 1.00 0.00 C ATOM 436 C TRP A 160 -0.662 -4.879 -1.945 1.00 0.00 C ATOM 437 O TRP A 160 0.052 -3.883 -1.846 1.00 0.00 O ATOM 438 CB TRP A 160 -2.970 -4.426 -2.935 1.00 0.00 C ATOM 439 CG TRP A 160 -3.135 -3.730 -1.583 1.00 0.00 C ATOM 440 CD1 TRP A 160 -3.868 -4.126 -0.534 1.00 0.00 C ATOM 441 CD2 TRP A 160 -2.520 -2.490 -1.175 1.00 0.00 C ATOM 442 NE1 TRP A 160 -3.771 -3.236 0.516 1.00 0.00 N ATOM 443 CE2 TRP A 160 -2.924 -2.209 0.114 1.00 0.00 C ATOM 444 CE3 TRP A 160 -1.649 -1.633 -1.872 1.00 0.00 C ATOM 445 CZ2 TRP A 160 -2.510 -1.072 0.819 1.00 0.00 C ATOM 446 CZ3 TRP A 160 -1.244 -0.501 -1.154 1.00 0.00 C ATOM 447 CH2 TRP A 160 -1.643 -0.204 0.144 1.00 0.00 C ATOM 0 H TRP A 160 -2.633 -6.781 -3.712 1.00 0.00 H new ATOM 0 HA TRP A 160 -1.160 -4.525 -3.998 1.00 0.00 H new ATOM 0 HB2 TRP A 160 -3.156 -3.703 -3.729 1.00 0.00 H new ATOM 0 HB3 TRP A 160 -3.729 -5.203 -3.027 1.00 0.00 H new ATOM 0 HD1 TRP A 160 -4.461 -5.029 -0.513 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -4.235 -3.317 1.421 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -1.319 -1.832 -2.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.841 -0.875 1.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -0.574 0.190 -1.643 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -1.286 0.692 0.630 1.00 0.00 H new ATOM 457 N ARG A 161 -0.704 -5.864 -1.060 1.00 0.00 N ATOM 458 CA ARG A 161 0.125 -5.833 0.134 1.00 0.00 C ATOM 459 C ARG A 161 1.583 -6.124 -0.226 1.00 0.00 C ATOM 460 O ARG A 161 2.404 -5.210 -0.293 1.00 0.00 O ATOM 461 CB ARG A 161 -0.354 -6.857 1.164 1.00 0.00 C ATOM 462 CG ARG A 161 0.313 -6.624 2.520 1.00 0.00 C ATOM 463 CD ARG A 161 1.311 -7.739 2.840 1.00 0.00 C ATOM 464 NE ARG A 161 0.904 -8.442 4.078 1.00 0.00 N ATOM 465 CZ ARG A 161 -0.080 -9.349 4.137 1.00 0.00 C ATOM 466 NH1 ARG A 161 -0.765 -9.668 3.031 1.00 0.00 N ATOM 467 NH2 ARG A 161 -0.381 -9.936 5.304 1.00 0.00 N ATOM 0 H ARG A 161 -1.299 -6.688 -1.145 1.00 0.00 H new ATOM 0 HA ARG A 161 0.046 -4.836 0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -1.437 -6.791 1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -0.129 -7.864 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 161 0.826 -5.662 2.516 1.00 0.00 H new ATOM 0 HG3 ARG A 161 -0.447 -6.577 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 161 1.359 -8.444 2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 161 2.310 -7.320 2.961 1.00 0.00 H new ATOM 0 HE ARG A 161 1.404 -8.222 4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 161 -0.537 -9.220 2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 161 -1.514 -10.359 3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 161 0.139 -9.692 6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 161 -1.130 -10.627 5.349 1.00 0.00 H new ATOM 478 N LYS A 162 1.862 -7.401 -0.446 1.00 0.00 N ATOM 479 CA LYS A 162 3.207 -7.824 -0.796 1.00 0.00 C ATOM 480 C LYS A 162 3.885 -6.725 -1.617 1.00 0.00 C ATOM 481 O LYS A 162 5.082 -6.485 -1.470 1.00 0.00 O ATOM 482 CB LYS A 162 3.176 -9.183 -1.496 1.00 0.00 C ATOM 483 CG LYS A 162 4.556 -9.844 -1.473 1.00 0.00 C ATOM 484 CD LYS A 162 5.394 -9.404 -2.675 1.00 0.00 C ATOM 485 CE LYS A 162 6.672 -10.238 -2.787 1.00 0.00 C ATOM 486 NZ LYS A 162 6.542 -11.244 -3.864 1.00 0.00 N ATOM 0 H LYS A 162 1.179 -8.156 -0.388 1.00 0.00 H new ATOM 0 HA LYS A 162 3.807 -7.968 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 162 2.450 -9.832 -1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 162 2.846 -9.057 -2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 162 5.073 -9.583 -0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 162 4.444 -10.928 -1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 162 4.808 -9.506 -3.588 1.00 0.00 H new ATOM 0 HD3 LYS A 162 5.651 -8.349 -2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 162 7.522 -9.586 -2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 162 6.872 -10.736 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 7.418 -11.801 -3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 5.744 -11.876 -3.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 6.373 -10.763 -4.770 1.00 0.00 H new ATOM 496 N ASN A 163 3.090 -6.087 -2.463 1.00 0.00 N ATOM 497 CA ASN A 163 3.599 -5.019 -3.307 1.00 0.00 C ATOM 498 C ASN A 163 4.116 -3.880 -2.427 1.00 0.00 C ATOM 499 O ASN A 163 5.324 -3.700 -2.284 1.00 0.00 O ATOM 500 CB ASN A 163 2.496 -4.457 -4.208 1.00 0.00 C ATOM 501 CG ASN A 163 2.317 -5.320 -5.459 1.00 0.00 C ATOM 502 OD1 ASN A 163 3.241 -5.554 -6.221 1.00 0.00 O ATOM 503 ND2 ASN A 163 1.079 -5.778 -5.627 1.00 0.00 N ATOM 0 H ASN A 163 2.097 -6.289 -2.582 1.00 0.00 H new ATOM 0 HA ASN A 163 4.397 -5.430 -3.925 1.00 0.00 H new ATOM 0 HB2 ASN A 163 1.558 -4.412 -3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 163 2.744 -3.436 -4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 163 0.857 -6.363 -6.432 1.00 0.00 H new ATOM 0 HD22 ASN A 163 0.352 -5.544 -4.950 1.00 0.00 H new ATOM 509 N ILE A 164 3.175 -3.140 -1.858 1.00 0.00 N ATOM 510 CA ILE A 164 3.520 -2.024 -0.995 1.00 0.00 C ATOM 511 C ILE A 164 4.363 -2.532 0.176 1.00 0.00 C ATOM 512 O ILE A 164 5.390 -1.943 0.508 1.00 0.00 O ATOM 513 CB ILE A 164 2.261 -1.269 -0.565 1.00 0.00 C ATOM 514 CG1 ILE A 164 1.192 -2.236 -0.051 1.00 0.00 C ATOM 515 CG2 ILE A 164 1.737 -0.385 -1.699 1.00 0.00 C ATOM 516 CD1 ILE A 164 0.929 -2.018 1.441 1.00 0.00 C ATOM 0 H ILE A 164 2.174 -3.292 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 164 4.129 -1.299 -1.535 1.00 0.00 H new ATOM 0 HB ILE A 164 2.524 -0.609 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 164 0.268 -2.094 -0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 164 1.514 -3.264 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 164 0.842 0.140 -1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 164 2.501 0.341 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 164 1.494 -1.006 -2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 164 0.166 -2.717 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 164 1.849 -2.184 2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 164 0.585 -0.997 1.604 1.00 0.00 H new ATOM 527 N GLU A 165 3.897 -3.622 0.770 1.00 0.00 N ATOM 528 CA GLU A 165 4.595 -4.215 1.898 1.00 0.00 C ATOM 529 C GLU A 165 6.104 -4.217 1.647 1.00 0.00 C ATOM 530 O GLU A 165 6.882 -3.832 2.518 1.00 0.00 O ATOM 531 CB GLU A 165 4.084 -5.631 2.174 1.00 0.00 C ATOM 532 CG GLU A 165 4.629 -6.162 3.502 1.00 0.00 C ATOM 533 CD GLU A 165 3.893 -5.533 4.687 1.00 0.00 C ATOM 534 OE1 GLU A 165 4.345 -4.455 5.130 1.00 0.00 O ATOM 535 OE2 GLU A 165 2.895 -6.146 5.124 1.00 0.00 O ATOM 0 H GLU A 165 3.045 -4.109 0.491 1.00 0.00 H new ATOM 0 HA GLU A 165 4.394 -3.611 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 165 2.994 -5.630 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 165 4.384 -6.294 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 165 4.521 -7.246 3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 165 5.695 -5.945 3.575 1.00 0.00 H new ATOM 540 N GLU A 166 6.473 -4.655 0.452 1.00 0.00 N ATOM 541 CA GLU A 166 7.875 -4.712 0.076 1.00 0.00 C ATOM 542 C GLU A 166 8.291 -3.413 -0.619 1.00 0.00 C ATOM 543 O GLU A 166 8.933 -2.557 -0.010 1.00 0.00 O ATOM 544 CB GLU A 166 8.155 -5.923 -0.815 1.00 0.00 C ATOM 545 CG GLU A 166 8.646 -7.112 0.014 1.00 0.00 C ATOM 546 CD GLU A 166 9.822 -7.810 -0.672 1.00 0.00 C ATOM 547 OE1 GLU A 166 9.908 -7.691 -1.913 1.00 0.00 O ATOM 548 OE2 GLU A 166 10.609 -8.448 0.061 1.00 0.00 O ATOM 0 H GLU A 166 5.825 -4.974 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 166 8.470 -4.824 0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 166 7.249 -6.200 -1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 166 8.904 -5.663 -1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 166 8.949 -6.770 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 166 7.831 -7.821 0.157 1.00 0.00 H new ATOM 553 N LYS A 167 7.909 -3.306 -1.882 1.00 0.00 N ATOM 554 CA LYS A 167 8.234 -2.126 -2.665 1.00 0.00 C ATOM 555 C LYS A 167 8.103 -0.882 -1.784 1.00 0.00 C ATOM 556 O LYS A 167 8.938 0.019 -1.848 1.00 0.00 O ATOM 557 CB LYS A 167 7.381 -2.073 -3.934 1.00 0.00 C ATOM 558 CG LYS A 167 6.148 -1.191 -3.729 1.00 0.00 C ATOM 559 CD LYS A 167 5.369 -1.025 -5.036 1.00 0.00 C ATOM 560 CE LYS A 167 4.997 -2.387 -5.628 1.00 0.00 C ATOM 561 NZ LYS A 167 3.917 -2.238 -6.629 1.00 0.00 N ATOM 0 H LYS A 167 7.377 -4.017 -2.383 1.00 0.00 H new ATOM 0 HA LYS A 167 9.269 -2.168 -3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 167 7.976 -1.686 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 167 7.070 -3.081 -4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 167 5.502 -1.633 -2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 167 6.454 -0.213 -3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 167 4.465 -0.444 -4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 167 5.969 -0.464 -5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 167 5.873 -2.840 -6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 167 4.675 -3.060 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 3.676 -3.171 -7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 3.077 -1.826 -6.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 4.238 -1.613 -7.395 1.00 0.00 H new ATOM 571 N SER A 168 7.049 -0.874 -0.981 1.00 0.00 N ATOM 572 CA SER A 168 6.798 0.245 -0.088 1.00 0.00 C ATOM 573 C SER A 168 7.057 -0.174 1.360 1.00 0.00 C ATOM 574 O SER A 168 6.134 -0.215 2.173 1.00 0.00 O ATOM 575 CB SER A 168 5.367 0.764 -0.243 1.00 0.00 C ATOM 576 OG SER A 168 4.928 0.722 -1.598 1.00 0.00 O ATOM 0 H SER A 168 6.359 -1.624 -0.930 1.00 0.00 H new ATOM 0 HA SER A 168 7.479 1.054 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 168 4.696 0.167 0.374 1.00 0.00 H new ATOM 0 HB3 SER A 168 5.311 1.789 0.125 1.00 0.00 H new ATOM 0 HG SER A 168 5.150 1.568 -2.040 1.00 0.00 H new ATOM 581 N GLY A 169 8.317 -0.474 1.641 1.00 0.00 N ATOM 582 CA GLY A 169 8.708 -0.888 2.977 1.00 0.00 C ATOM 583 C GLY A 169 10.227 -0.825 3.148 1.00 0.00 C ATOM 584 O GLY A 169 10.735 -0.017 3.924 1.00 0.00 O ATOM 0 H GLY A 169 9.080 -0.438 0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 169 8.228 -0.246 3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 169 8.359 -1.904 3.163 1.00 0.00 H new