USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 323 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 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0.0317 USER MOD Single : A 137 LYS NZ :NH3+ -152:sc= -0.106 (180deg=-0.477) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ -161:sc= -0.0478 (180deg=-0.509) USER MOD Single : A 155 ASN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 160 LYS NZ :NH3+ -158:sc= 0.102 (180deg=0.00506) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.203 3.163 -5.012 1.00 0.00 N ATOM 82 CA ILE A 130 -6.009 3.315 -3.809 1.00 0.00 C ATOM 83 C ILE A 130 -5.185 3.000 -2.568 1.00 0.00 C ATOM 84 O ILE A 130 -4.791 1.856 -2.342 1.00 0.00 O ATOM 85 CB ILE A 130 -7.255 2.409 -3.845 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.043 2.661 -5.129 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.132 2.653 -2.624 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.726 1.682 -6.237 1.00 0.00 C ATOM 0 HA ILE A 130 -6.339 4.353 -3.769 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.932 1.368 -3.827 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.109 2.612 -4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.837 3.672 -5.479 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.006 2.004 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.564 2.436 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.454 3.694 -2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.323 1.923 -7.117 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.667 1.747 -6.488 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.959 0.670 -5.906 1.00 0.00 H new ATOM 100 N ALA A 131 -4.923 4.027 -1.772 1.00 0.00 N ATOM 101 CA ALA A 131 -4.137 3.872 -0.554 1.00 0.00 C ATOM 102 C ALA A 131 -4.309 5.075 0.366 1.00 0.00 C ATOM 103 O ALA A 131 -4.605 6.180 -0.089 1.00 0.00 O ATOM 104 CB ALA A 131 -2.669 3.675 -0.897 1.00 0.00 C ATOM 0 H ALA A 131 -5.244 4.979 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.498 2.989 -0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.093 3.561 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.555 2.781 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.305 4.542 -1.448 1.00 0.00 H new ATOM 110 N MET A 132 -4.116 4.856 1.662 1.00 0.00 N ATOM 111 CA MET A 132 -4.246 5.927 2.643 1.00 0.00 C ATOM 112 C MET A 132 -3.182 6.997 2.415 1.00 0.00 C ATOM 113 O MET A 132 -2.163 6.742 1.772 1.00 0.00 O ATOM 114 CB MET A 132 -4.133 5.363 4.060 1.00 0.00 C ATOM 115 CG MET A 132 -5.473 5.212 4.762 1.00 0.00 C ATOM 116 SD MET A 132 -5.427 5.758 6.480 1.00 0.00 S ATOM 117 CE MET A 132 -5.013 4.228 7.313 1.00 0.00 C ATOM 0 H MET A 132 -3.869 3.948 2.057 1.00 0.00 H new ATOM 0 HA MET A 132 -5.228 6.386 2.524 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.643 4.390 4.017 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.493 6.017 4.653 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.227 5.786 4.223 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.781 4.167 4.726 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.948 4.404 8.387 1.00 0.00 H new ATOM 0 HE2 MET A 132 -5.785 3.485 7.113 1.00 0.00 H new ATOM 0 HE3 MET A 132 -4.054 3.862 6.947 1.00 0.00 H new ATOM 127 N PRO A 133 -3.401 8.213 2.941 1.00 0.00 N ATOM 128 CA PRO A 133 -2.453 9.322 2.791 1.00 0.00 C ATOM 129 C PRO A 133 -1.076 8.984 3.350 1.00 0.00 C ATOM 130 O PRO A 133 -0.063 9.513 2.893 1.00 0.00 O ATOM 131 CB PRO A 133 -3.093 10.465 3.591 1.00 0.00 C ATOM 132 CG PRO A 133 -4.102 9.812 4.473 1.00 0.00 C ATOM 133 CD PRO A 133 -4.584 8.605 3.723 1.00 0.00 C ATOM 0 HA PRO A 133 -2.284 9.569 1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.346 11.001 4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.562 11.194 2.930 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.660 9.528 5.428 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.926 10.490 4.692 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.904 7.811 4.398 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.433 8.840 3.081 1.00 0.00 H new ATOM 141 N SER A 134 -1.046 8.100 4.342 1.00 0.00 N ATOM 142 CA SER A 134 0.208 7.692 4.964 1.00 0.00 C ATOM 143 C SER A 134 0.792 6.464 4.270 1.00 0.00 C ATOM 144 O SER A 134 2.008 6.274 4.244 1.00 0.00 O ATOM 145 CB SER A 134 -0.010 7.395 6.450 1.00 0.00 C ATOM 146 OG SER A 134 -1.218 6.683 6.657 1.00 0.00 O ATOM 0 H SER A 134 -1.876 7.653 4.732 1.00 0.00 H new ATOM 0 HA SER A 134 0.917 8.514 4.862 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.828 6.814 6.835 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.034 8.329 7.011 1.00 0.00 H new ATOM 0 HG SER A 134 -1.333 6.504 7.614 1.00 0.00 H new ATOM 152 N VAL A 135 -0.081 5.631 3.713 1.00 0.00 N ATOM 153 CA VAL A 135 0.353 4.420 3.025 1.00 0.00 C ATOM 154 C VAL A 135 1.083 4.746 1.735 1.00 0.00 C ATOM 155 O VAL A 135 2.162 4.217 1.473 1.00 0.00 O ATOM 156 CB VAL A 135 -0.833 3.495 2.708 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.365 2.252 1.960 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.557 3.121 3.988 1.00 0.00 C ATOM 0 H VAL A 135 -1.091 5.772 3.724 1.00 0.00 H new ATOM 0 HA VAL A 135 1.035 3.906 3.703 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.529 4.028 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.221 1.612 1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.110 2.548 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.352 1.706 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.396 2.466 3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.869 2.605 4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.927 4.024 4.474 1.00 0.00 H new ATOM 168 N ARG A 136 0.495 5.617 0.931 1.00 0.00 N ATOM 169 CA ARG A 136 1.108 6.003 -0.331 1.00 0.00 C ATOM 170 C ARG A 136 2.523 6.509 -0.084 1.00 0.00 C ATOM 171 O ARG A 136 3.404 6.369 -0.931 1.00 0.00 O ATOM 172 CB ARG A 136 0.279 7.089 -1.021 1.00 0.00 C ATOM 173 CG ARG A 136 -1.158 6.681 -1.297 1.00 0.00 C ATOM 174 CD ARG A 136 -2.047 7.894 -1.521 1.00 0.00 C ATOM 175 NE ARG A 136 -3.399 7.516 -1.928 1.00 0.00 N ATOM 176 CZ ARG A 136 -3.740 7.208 -3.177 1.00 0.00 C ATOM 177 NH1 ARG A 136 -2.834 7.227 -4.146 1.00 0.00 N ATOM 178 NH2 ARG A 136 -4.994 6.877 -3.457 1.00 0.00 N ATOM 0 H ARG A 136 -0.399 6.067 1.127 1.00 0.00 H new ATOM 0 HA ARG A 136 1.146 5.130 -0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.280 7.984 -0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.758 7.356 -1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.192 6.036 -2.175 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.540 6.098 -0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.096 8.482 -0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.604 8.532 -2.286 1.00 0.00 H new ATOM 0 HE ARG A 136 -4.125 7.487 -1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.868 7.479 -3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -3.103 6.990 -5.101 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.694 6.859 -2.716 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -5.258 6.641 -4.414 1.00 0.00 H new ATOM 192 N LYS A 137 2.733 7.077 1.100 1.00 0.00 N ATOM 193 CA LYS A 137 4.036 7.588 1.486 1.00 0.00 C ATOM 194 C LYS A 137 4.947 6.445 1.895 1.00 0.00 C ATOM 195 O LYS A 137 6.132 6.428 1.563 1.00 0.00 O ATOM 196 CB LYS A 137 3.896 8.578 2.641 1.00 0.00 C ATOM 197 CG LYS A 137 5.155 9.388 2.901 1.00 0.00 C ATOM 198 CD LYS A 137 4.849 10.873 3.001 1.00 0.00 C ATOM 199 CE LYS A 137 5.620 11.527 4.135 1.00 0.00 C ATOM 200 NZ LYS A 137 5.225 10.981 5.463 1.00 0.00 N ATOM 0 H LYS A 137 2.010 7.193 1.810 1.00 0.00 H new ATOM 0 HA LYS A 137 4.474 8.103 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.073 9.260 2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.631 8.032 3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.623 9.049 3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.872 9.216 2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.101 11.361 2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 137 3.780 11.015 3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.688 11.374 3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.446 12.603 4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 5.372 11.706 6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 4.221 10.709 5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 5.805 10.146 5.681 1.00 0.00 H new ATOM 214 N TYR A 138 4.382 5.492 2.629 1.00 0.00 N ATOM 215 CA TYR A 138 5.148 4.351 3.095 1.00 0.00 C ATOM 216 C TYR A 138 5.588 3.480 1.929 1.00 0.00 C ATOM 217 O TYR A 138 6.756 3.136 1.819 1.00 0.00 O ATOM 218 CB TYR A 138 4.310 3.528 4.063 1.00 0.00 C ATOM 219 CG TYR A 138 5.008 2.274 4.528 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.226 2.334 5.196 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.455 1.026 4.288 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.868 1.185 5.610 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.089 -0.124 4.700 1.00 0.00 C ATOM 224 CZ TYR A 138 6.296 -0.043 5.360 1.00 0.00 C ATOM 225 OH TYR A 138 6.932 -1.192 5.771 1.00 0.00 O ATOM 0 H TYR A 138 3.402 5.490 2.911 1.00 0.00 H new ATOM 0 HA TYR A 138 6.038 4.720 3.605 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.059 4.140 4.929 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.370 3.257 3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.677 3.295 5.394 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.511 0.955 3.769 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.814 1.248 6.127 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.642 -1.088 4.506 1.00 0.00 H new ATOM 0 HH TYR A 138 6.395 -1.972 5.518 1.00 0.00 H new ATOM 235 N ALA A 139 4.660 3.157 1.039 1.00 0.00 N ATOM 236 CA ALA A 139 4.992 2.361 -0.131 1.00 0.00 C ATOM 237 C ALA A 139 5.955 3.147 -0.999 1.00 0.00 C ATOM 238 O ALA A 139 6.984 2.641 -1.434 1.00 0.00 O ATOM 239 CB ALA A 139 3.742 1.999 -0.918 1.00 0.00 C ATOM 0 H ALA A 139 3.680 3.432 1.105 1.00 0.00 H new ATOM 0 HA ALA A 139 5.459 1.430 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.019 1.404 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.067 1.423 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.242 2.910 -1.246 1.00 0.00 H new ATOM 245 N ARG A 140 5.614 4.408 -1.221 1.00 0.00 N ATOM 246 CA ARG A 140 6.446 5.298 -2.015 1.00 0.00 C ATOM 247 C ARG A 140 7.870 5.347 -1.459 1.00 0.00 C ATOM 248 O ARG A 140 8.834 5.516 -2.204 1.00 0.00 O ATOM 249 CB ARG A 140 5.835 6.704 -2.032 1.00 0.00 C ATOM 250 CG ARG A 140 6.714 7.749 -2.699 1.00 0.00 C ATOM 251 CD ARG A 140 6.829 7.505 -4.196 1.00 0.00 C ATOM 252 NE ARG A 140 7.728 8.460 -4.839 1.00 0.00 N ATOM 253 CZ ARG A 140 7.380 9.702 -5.166 1.00 0.00 C ATOM 254 NH1 ARG A 140 6.155 10.146 -4.909 1.00 0.00 N ATOM 255 NH2 ARG A 140 8.259 10.505 -5.751 1.00 0.00 N ATOM 0 H ARG A 140 4.763 4.839 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 140 6.491 4.915 -3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.876 6.667 -2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.633 7.014 -1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.300 8.742 -2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.707 7.732 -2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 140 7.191 6.492 -4.371 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.841 7.574 -4.651 1.00 0.00 H new ATOM 0 HE ARG A 140 8.679 8.157 -5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 140 5.475 9.534 -4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 140 5.894 11.099 -5.162 1.00 0.00 H new ATOM 0 HH21 ARG A 140 9.202 10.170 -5.950 1.00 0.00 H new ATOM 0 HH22 ARG A 140 7.992 11.457 -6.002 1.00 0.00 H new ATOM 269 N GLU A 141 7.989 5.198 -0.141 1.00 0.00 N ATOM 270 CA GLU A 141 9.286 5.225 0.525 1.00 0.00 C ATOM 271 C GLU A 141 9.950 3.856 0.492 1.00 0.00 C ATOM 272 O GLU A 141 11.165 3.740 0.335 1.00 0.00 O ATOM 273 CB GLU A 141 9.118 5.685 1.973 1.00 0.00 C ATOM 274 CG GLU A 141 8.974 7.189 2.121 1.00 0.00 C ATOM 275 CD GLU A 141 10.302 7.915 2.036 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.201 7.426 1.319 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.443 8.973 2.683 1.00 0.00 O ATOM 0 H GLU A 141 7.198 5.057 0.487 1.00 0.00 H new ATOM 0 HA GLU A 141 9.927 5.927 -0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.240 5.201 2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 141 9.979 5.352 2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.309 7.564 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.503 7.412 3.078 1.00 0.00 H new ATOM 284 N LYS A 142 9.136 2.824 0.661 1.00 0.00 N ATOM 285 CA LYS A 142 9.609 1.454 0.678 1.00 0.00 C ATOM 286 C LYS A 142 9.785 0.895 -0.736 1.00 0.00 C ATOM 287 O LYS A 142 9.728 -0.319 -0.937 1.00 0.00 O ATOM 288 CB LYS A 142 8.607 0.602 1.454 1.00 0.00 C ATOM 289 CG LYS A 142 8.410 1.025 2.903 1.00 0.00 C ATOM 290 CD LYS A 142 9.721 1.407 3.554 1.00 0.00 C ATOM 291 CE LYS A 142 10.637 0.208 3.665 1.00 0.00 C ATOM 292 NZ LYS A 142 11.953 0.561 4.267 1.00 0.00 N ATOM 0 H LYS A 142 8.128 2.917 0.790 1.00 0.00 H new ATOM 0 HA LYS A 142 10.587 1.429 1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.645 0.639 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.939 -0.436 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.722 1.869 2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 142 7.950 0.210 3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.207 2.189 2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 142 9.533 1.819 4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 142 10.156 -0.560 4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 142 10.795 -0.220 2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.548 -0.290 4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 12.425 1.275 3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.806 0.945 5.222 1.00 0.00 H new ATOM 306 N GLY A 143 9.994 1.775 -1.713 1.00 0.00 N ATOM 307 CA GLY A 143 10.168 1.327 -3.085 1.00 0.00 C ATOM 308 C GLY A 143 9.011 0.470 -3.566 1.00 0.00 C ATOM 309 O GLY A 143 9.153 -0.309 -4.510 1.00 0.00 O ATOM 0 H GLY A 143 10.046 2.785 -1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.270 2.194 -3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.095 0.759 -3.164 1.00 0.00 H new ATOM 313 N VAL A 144 7.866 0.616 -2.911 1.00 0.00 N ATOM 314 CA VAL A 144 6.670 -0.139 -3.259 1.00 0.00 C ATOM 315 C VAL A 144 5.594 0.778 -3.829 1.00 0.00 C ATOM 316 O VAL A 144 5.413 1.905 -3.368 1.00 0.00 O ATOM 317 CB VAL A 144 6.105 -0.879 -2.027 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.723 -1.451 -2.313 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.060 -1.976 -1.584 1.00 0.00 C ATOM 0 H VAL A 144 7.741 1.258 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 144 6.956 -0.870 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 144 6.004 -0.157 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.352 -1.966 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.041 -0.642 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.785 -2.155 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.648 -2.488 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.195 -2.691 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.023 -1.537 -1.323 1.00 0.00 H new ATOM 329 N ASP A 145 4.874 0.279 -4.824 1.00 0.00 N ATOM 330 CA ASP A 145 3.805 1.038 -5.450 1.00 0.00 C ATOM 331 C ASP A 145 2.470 0.347 -5.217 1.00 0.00 C ATOM 332 O ASP A 145 2.332 -0.854 -5.455 1.00 0.00 O ATOM 333 CB ASP A 145 4.066 1.195 -6.950 1.00 0.00 C ATOM 334 CG ASP A 145 3.195 2.264 -7.580 1.00 0.00 C ATOM 335 OD1 ASP A 145 1.954 2.132 -7.518 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.753 3.232 -8.138 1.00 0.00 O ATOM 0 H ASP A 145 5.013 -0.653 -5.215 1.00 0.00 H new ATOM 0 HA ASP A 145 3.772 2.030 -5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.115 1.445 -7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.886 0.243 -7.449 1.00 0.00 H new ATOM 341 N ILE A 146 1.487 1.106 -4.751 1.00 0.00 N ATOM 342 CA ILE A 146 0.161 0.559 -4.486 1.00 0.00 C ATOM 343 C ILE A 146 -0.371 -0.208 -5.696 1.00 0.00 C ATOM 344 O ILE A 146 -1.234 -1.076 -5.561 1.00 0.00 O ATOM 345 CB ILE A 146 -0.840 1.671 -4.111 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.268 2.556 -3.000 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.169 1.071 -3.677 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.012 1.809 -1.715 1.00 0.00 C ATOM 0 H ILE A 146 1.582 2.101 -4.549 1.00 0.00 H new ATOM 0 HA ILE A 146 0.262 -0.126 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.011 2.288 -4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.656 3.015 -3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.969 3.365 -2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.862 1.871 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.586 0.482 -4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.013 0.430 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.415 2.499 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.913 1.372 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.736 1.017 -1.905 1.00 0.00 H new ATOM 360 N ARG A 147 0.158 0.107 -6.877 1.00 0.00 N ATOM 361 CA ARG A 147 -0.266 -0.562 -8.101 1.00 0.00 C ATOM 362 C ARG A 147 0.087 -2.042 -8.046 1.00 0.00 C ATOM 363 O ARG A 147 -0.641 -2.887 -8.567 1.00 0.00 O ATOM 364 CB ARG A 147 0.392 0.089 -9.320 1.00 0.00 C ATOM 365 CG ARG A 147 -0.217 1.431 -9.693 1.00 0.00 C ATOM 366 CD ARG A 147 0.519 2.071 -10.859 1.00 0.00 C ATOM 367 NE ARG A 147 0.561 3.527 -10.745 1.00 0.00 N ATOM 368 CZ ARG A 147 0.814 4.344 -11.765 1.00 0.00 C ATOM 369 NH1 ARG A 147 1.047 3.853 -12.975 1.00 0.00 N ATOM 370 NH2 ARG A 147 0.835 5.655 -11.573 1.00 0.00 N ATOM 0 H ARG A 147 0.877 0.818 -7.010 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.348 -0.462 -8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.455 0.224 -9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.311 -0.587 -10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.267 1.296 -9.954 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.186 2.098 -8.831 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.536 1.681 -10.904 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.030 1.794 -11.793 1.00 0.00 H new ATOM 0 HE ARG A 147 0.386 3.942 -9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 147 1.033 2.845 -13.128 1.00 0.00 H new ATOM 0 HH12 ARG A 147 1.240 4.484 -13.753 1.00 0.00 H new ATOM 0 HH21 ARG A 147 0.657 6.037 -10.644 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.029 6.282 -12.354 1.00 0.00 H new ATOM 384 N LEU A 148 1.207 -2.345 -7.402 1.00 0.00 N ATOM 385 CA LEU A 148 1.666 -3.716 -7.262 1.00 0.00 C ATOM 386 C LEU A 148 1.065 -4.368 -6.018 1.00 0.00 C ATOM 387 O LEU A 148 1.278 -5.553 -5.766 1.00 0.00 O ATOM 388 CB LEU A 148 3.194 -3.754 -7.182 1.00 0.00 C ATOM 389 CG LEU A 148 3.909 -2.550 -7.795 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.410 -2.665 -7.599 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.569 -2.424 -9.273 1.00 0.00 C ATOM 0 H LEU A 148 1.816 -1.652 -6.967 1.00 0.00 H new ATOM 0 HA LEU A 148 1.337 -4.276 -8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.485 -3.834 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.545 -4.657 -7.681 1.00 0.00 H new ATOM 0 HG LEU A 148 3.566 -1.649 -7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.902 -1.799 -8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.636 -2.705 -6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.771 -3.573 -8.081 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.087 -1.562 -9.693 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.883 -3.327 -9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.493 -2.293 -9.389 1.00 0.00 H new ATOM 403 N VAL A 149 0.319 -3.584 -5.241 1.00 0.00 N ATOM 404 CA VAL A 149 -0.302 -4.087 -4.023 1.00 0.00 C ATOM 405 C VAL A 149 -1.823 -4.091 -4.143 1.00 0.00 C ATOM 406 O VAL A 149 -2.421 -3.122 -4.609 1.00 0.00 O ATOM 407 CB VAL A 149 0.099 -3.240 -2.800 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.254 -3.964 -1.511 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.583 -2.901 -2.841 1.00 0.00 C ATOM 0 H VAL A 149 0.132 -2.600 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 149 0.053 -5.108 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.462 -2.306 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.036 -3.351 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.328 -4.146 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.276 -4.915 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.844 -2.303 -1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.167 -3.822 -2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.802 -2.336 -3.747 1.00 0.00 H new ATOM 419 N GLN A 150 -2.441 -5.188 -3.718 1.00 0.00 N ATOM 420 CA GLN A 150 -3.891 -5.318 -3.775 1.00 0.00 C ATOM 421 C GLN A 150 -4.524 -4.902 -2.452 1.00 0.00 C ATOM 422 O GLN A 150 -4.651 -5.710 -1.532 1.00 0.00 O ATOM 423 CB GLN A 150 -4.283 -6.758 -4.113 1.00 0.00 C ATOM 424 CG GLN A 150 -5.381 -6.861 -5.158 1.00 0.00 C ATOM 425 CD GLN A 150 -5.734 -8.297 -5.493 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.577 -8.739 -6.631 1.00 0.00 O ATOM 427 NE2 GLN A 150 -6.217 -9.034 -4.499 1.00 0.00 N ATOM 0 H GLN A 150 -1.960 -5.999 -3.330 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.261 -4.657 -4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.402 -7.291 -4.470 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.611 -7.259 -3.203 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -6.271 -6.347 -4.796 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -5.063 -6.348 -6.065 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -6.331 -8.627 -3.571 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -6.474 -10.007 -4.664 1.00 0.00 H new ATOM 436 N GLY A 151 -4.918 -3.635 -2.359 1.00 0.00 N ATOM 437 CA GLY A 151 -5.529 -3.135 -1.143 1.00 0.00 C ATOM 438 C GLY A 151 -6.774 -3.909 -0.756 1.00 0.00 C ATOM 439 O GLY A 151 -7.667 -4.109 -1.578 1.00 0.00 O ATOM 0 H GLY A 151 -4.824 -2.946 -3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.806 -3.187 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.785 -2.084 -1.275 1.00 0.00 H new ATOM 443 N THR A 152 -6.830 -4.347 0.498 1.00 0.00 N ATOM 444 CA THR A 152 -7.974 -5.103 0.995 1.00 0.00 C ATOM 445 C THR A 152 -8.668 -4.363 2.137 1.00 0.00 C ATOM 446 O THR A 152 -9.304 -4.981 2.990 1.00 0.00 O ATOM 447 CB THR A 152 -7.527 -6.489 1.466 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.144 -6.493 1.772 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.773 -7.577 0.443 1.00 0.00 C ATOM 0 H THR A 152 -6.096 -4.191 1.189 1.00 0.00 H new ATOM 0 HA THR A 152 -8.686 -5.214 0.177 1.00 0.00 H new ATOM 0 HB THR A 152 -8.128 -6.701 2.350 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.878 -7.387 2.073 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.433 -8.534 0.840 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.839 -7.634 0.221 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.224 -7.348 -0.471 1.00 0.00 H new ATOM 457 N GLY A 153 -8.536 -3.039 2.153 1.00 0.00 N ATOM 458 CA GLY A 153 -9.152 -2.248 3.203 1.00 0.00 C ATOM 459 C GLY A 153 -10.288 -1.378 2.700 1.00 0.00 C ATOM 460 O GLY A 153 -10.206 -0.798 1.619 1.00 0.00 O ATOM 0 H GLY A 153 -8.015 -2.502 1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.528 -2.914 3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.395 -1.615 3.666 1.00 0.00 H new ATOM 464 N LYS A 154 -11.351 -1.282 3.494 1.00 0.00 N ATOM 465 CA LYS A 154 -12.512 -0.474 3.139 1.00 0.00 C ATOM 466 C LYS A 154 -13.036 -0.829 1.743 1.00 0.00 C ATOM 467 O LYS A 154 -13.877 -1.717 1.599 1.00 0.00 O ATOM 468 CB LYS A 154 -12.164 1.015 3.226 1.00 0.00 C ATOM 469 CG LYS A 154 -13.311 1.929 2.835 1.00 0.00 C ATOM 470 CD LYS A 154 -13.673 2.884 3.961 1.00 0.00 C ATOM 471 CE LYS A 154 -12.701 4.052 4.033 1.00 0.00 C ATOM 472 NZ LYS A 154 -11.574 3.782 4.967 1.00 0.00 N ATOM 0 H LYS A 154 -11.431 -1.757 4.393 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.307 -0.692 3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.855 1.249 4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -11.311 1.219 2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -13.037 2.499 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -14.182 1.329 2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -14.685 3.260 3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -13.670 2.348 4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -12.306 4.257 3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -13.233 4.947 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -11.125 4.680 5.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -11.935 3.305 5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -10.874 3.172 4.499 1.00 0.00 H new ATOM 486 N ASN A 155 -12.541 -0.135 0.718 1.00 0.00 N ATOM 487 CA ASN A 155 -12.969 -0.388 -0.653 1.00 0.00 C ATOM 488 C ASN A 155 -11.822 -0.942 -1.490 1.00 0.00 C ATOM 489 O ASN A 155 -11.714 -0.655 -2.682 1.00 0.00 O ATOM 490 CB ASN A 155 -13.503 0.898 -1.286 1.00 0.00 C ATOM 491 CG ASN A 155 -14.991 1.079 -1.062 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.355 1.627 0.091 1.00 0.00 O flip ATOM 493 ND2 ASN A 155 -15.806 0.732 -1.918 1.00 0.00 N flip ATOM 0 H ASN A 155 -11.845 0.605 0.813 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.765 -1.132 -0.627 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.969 1.753 -0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.299 0.885 -2.357 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -15.483 0.315 -2.791 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -16.804 0.862 -1.754 1.00 0.00 H new ATOM 500 N GLY A 156 -10.965 -1.736 -0.857 1.00 0.00 N ATOM 501 CA GLY A 156 -9.835 -2.317 -1.558 1.00 0.00 C ATOM 502 C GLY A 156 -8.601 -1.435 -1.500 1.00 0.00 C ATOM 503 O GLY A 156 -7.700 -1.561 -2.329 1.00 0.00 O ATOM 0 H GLY A 156 -11.033 -1.988 0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.603 -3.290 -1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.107 -2.489 -2.600 1.00 0.00 H new ATOM 507 N ARG A 157 -8.562 -0.539 -0.518 1.00 0.00 N ATOM 508 CA ARG A 157 -7.436 0.372 -0.348 1.00 0.00 C ATOM 509 C ARG A 157 -6.255 -0.334 0.312 1.00 0.00 C ATOM 510 O ARG A 157 -6.439 -1.206 1.162 1.00 0.00 O ATOM 511 CB ARG A 157 -7.867 1.577 0.491 1.00 0.00 C ATOM 512 CG ARG A 157 -6.759 2.586 0.733 1.00 0.00 C ATOM 513 CD ARG A 157 -7.230 3.727 1.619 1.00 0.00 C ATOM 514 NE ARG A 157 -8.117 4.643 0.907 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.940 5.498 1.508 1.00 0.00 C ATOM 516 NH1 ARG A 157 -8.993 5.557 2.834 1.00 0.00 N ATOM 517 NH2 ARG A 157 -9.711 6.297 0.784 1.00 0.00 N ATOM 0 H ARG A 157 -9.302 -0.425 0.175 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.117 0.714 -1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.697 2.077 -0.008 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.239 1.223 1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.908 2.089 1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.413 2.984 -0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.749 3.321 2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.366 4.276 1.993 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.105 4.626 -0.113 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.401 4.945 3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.626 6.214 3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.673 6.256 -0.234 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -10.342 6.952 1.245 1.00 0.00 H new ATOM 531 N VAL A 158 -5.043 0.043 -0.087 1.00 0.00 N ATOM 532 CA VAL A 158 -3.836 -0.561 0.464 1.00 0.00 C ATOM 533 C VAL A 158 -3.526 -0.013 1.851 1.00 0.00 C ATOM 534 O VAL A 158 -3.589 1.193 2.088 1.00 0.00 O ATOM 535 CB VAL A 158 -2.614 -0.335 -0.458 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.310 -0.654 0.263 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.734 -1.175 -1.715 1.00 0.00 C ATOM 0 H VAL A 158 -4.872 0.763 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.028 -1.631 0.538 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.599 0.719 -0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.471 -0.485 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.210 -0.009 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.316 -1.696 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.866 -1.003 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.783 -2.230 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.640 -0.896 -2.254 1.00 0.00 H new ATOM 547 N LEU A 159 -3.172 -0.915 2.757 1.00 0.00 N ATOM 548 CA LEU A 159 -2.827 -0.541 4.121 1.00 0.00 C ATOM 549 C LEU A 159 -1.327 -0.679 4.335 1.00 0.00 C ATOM 550 O LEU A 159 -0.647 -1.360 3.570 1.00 0.00 O ATOM 551 CB LEU A 159 -3.577 -1.430 5.115 1.00 0.00 C ATOM 552 CG LEU A 159 -5.098 -1.238 5.156 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.670 -1.802 6.448 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.466 0.232 5.009 1.00 0.00 C ATOM 0 H LEU A 159 -3.116 -1.916 2.570 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.116 0.497 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.366 -2.472 4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.178 -1.246 6.113 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.531 -1.781 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.750 -1.658 6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.445 -2.867 6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.225 -1.286 7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.550 0.341 5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.020 0.802 5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.092 0.607 4.056 1.00 0.00 H new ATOM 566 N LYS A 160 -0.804 -0.044 5.377 1.00 0.00 N ATOM 567 CA LYS A 160 0.622 -0.133 5.660 1.00 0.00 C ATOM 568 C LYS A 160 1.032 -1.594 5.793 1.00 0.00 C ATOM 569 O LYS A 160 2.146 -1.975 5.431 1.00 0.00 O ATOM 570 CB LYS A 160 0.976 0.635 6.934 1.00 0.00 C ATOM 571 CG LYS A 160 2.470 0.852 7.115 1.00 0.00 C ATOM 572 CD LYS A 160 2.884 0.696 8.570 1.00 0.00 C ATOM 573 CE LYS A 160 4.255 1.301 8.827 1.00 0.00 C ATOM 574 NZ LYS A 160 5.327 0.266 8.824 1.00 0.00 N ATOM 0 H LYS A 160 -1.337 0.530 6.031 1.00 0.00 H new ATOM 0 HA LYS A 160 1.168 0.319 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.476 1.603 6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.589 0.092 7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.019 0.138 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.739 1.848 6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.147 1.177 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.896 -0.361 8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.471 2.049 8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.250 1.817 9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 6.152 0.619 9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 4.973 -0.602 9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 5.606 0.058 7.844 1.00 0.00 H new ATOM 588 N GLU A 161 0.109 -2.414 6.289 1.00 0.00 N ATOM 589 CA GLU A 161 0.362 -3.839 6.437 1.00 0.00 C ATOM 590 C GLU A 161 0.540 -4.464 5.061 1.00 0.00 C ATOM 591 O GLU A 161 1.376 -5.345 4.865 1.00 0.00 O ATOM 592 CB GLU A 161 -0.791 -4.516 7.181 1.00 0.00 C ATOM 593 CG GLU A 161 -0.926 -4.073 8.629 1.00 0.00 C ATOM 594 CD GLU A 161 0.246 -4.513 9.484 1.00 0.00 C ATOM 595 OE1 GLU A 161 0.653 -5.689 9.375 1.00 0.00 O ATOM 596 OE2 GLU A 161 0.757 -3.681 10.264 1.00 0.00 O ATOM 0 H GLU A 161 -0.817 -2.115 6.594 1.00 0.00 H new ATOM 0 HA GLU A 161 1.272 -3.981 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.723 -4.305 6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.646 -5.596 7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.011 -2.987 8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.848 -4.480 9.045 1.00 0.00 H new ATOM 603 N ASP A 162 -0.246 -3.976 4.103 1.00 0.00 N ATOM 604 CA ASP A 162 -0.168 -4.459 2.731 1.00 0.00 C ATOM 605 C ASP A 162 1.209 -4.156 2.157 1.00 0.00 C ATOM 606 O ASP A 162 1.880 -5.032 1.610 1.00 0.00 O ATOM 607 CB ASP A 162 -1.248 -3.795 1.876 1.00 0.00 C ATOM 608 CG ASP A 162 -2.564 -4.545 1.911 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.556 -5.773 1.677 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.603 -3.904 2.172 1.00 0.00 O ATOM 0 H ASP A 162 -0.943 -3.247 4.254 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.330 -5.537 2.725 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.406 -2.775 2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.900 -3.728 0.845 1.00 0.00 H new ATOM 615 N ILE A 163 1.624 -2.903 2.304 1.00 0.00 N ATOM 616 CA ILE A 163 2.928 -2.453 1.826 1.00 0.00 C ATOM 617 C ILE A 163 4.033 -3.356 2.361 1.00 0.00 C ATOM 618 O ILE A 163 4.826 -3.908 1.598 1.00 0.00 O ATOM 619 CB ILE A 163 3.226 -1.009 2.280 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.054 -0.085 1.954 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.510 -0.497 1.635 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.699 -0.072 0.492 1.00 0.00 C ATOM 0 H ILE A 163 1.071 -2.174 2.755 1.00 0.00 H new ATOM 0 HA ILE A 163 2.900 -2.492 0.737 1.00 0.00 H new ATOM 0 HB ILE A 163 3.364 -1.014 3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.183 -0.397 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.300 0.929 2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.703 0.523 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.343 -1.137 1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.403 -0.511 0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.859 0.603 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.557 0.268 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.423 -1.078 0.176 1.00 0.00 H new ATOM 634 N ASP A 164 4.075 -3.500 3.682 1.00 0.00 N ATOM 635 CA ASP A 164 5.077 -4.337 4.330 1.00 0.00 C ATOM 636 C ASP A 164 5.014 -5.761 3.791 1.00 0.00 C ATOM 637 O ASP A 164 6.041 -6.419 3.627 1.00 0.00 O ATOM 638 CB ASP A 164 4.867 -4.340 5.845 1.00 0.00 C ATOM 639 CG ASP A 164 6.100 -4.801 6.598 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.215 -4.374 6.230 1.00 0.00 O ATOM 641 OD2 ASP A 164 5.951 -5.589 7.555 1.00 0.00 O ATOM 0 H ASP A 164 3.425 -3.047 4.325 1.00 0.00 H new ATOM 0 HA ASP A 164 6.062 -3.925 4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.598 -3.336 6.174 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.029 -4.992 6.092 1.00 0.00 H new ATOM 646 N ALA A 165 3.801 -6.226 3.508 1.00 0.00 N ATOM 647 CA ALA A 165 3.604 -7.569 2.978 1.00 0.00 C ATOM 648 C ALA A 165 4.294 -7.714 1.629 1.00 0.00 C ATOM 649 O ALA A 165 4.887 -8.751 1.331 1.00 0.00 O ATOM 650 CB ALA A 165 2.120 -7.876 2.854 1.00 0.00 C ATOM 0 H ALA A 165 2.941 -5.693 3.637 1.00 0.00 H new ATOM 0 HA ALA A 165 4.048 -8.284 3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.989 -8.883 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.651 -7.809 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.655 -7.157 2.180 1.00 0.00 H new ATOM 656 N TRP A 166 4.218 -6.662 0.818 1.00 0.00 N ATOM 657 CA TRP A 166 4.843 -6.666 -0.499 1.00 0.00 C ATOM 658 C TRP A 166 6.346 -6.883 -0.377 1.00 0.00 C ATOM 659 O TRP A 166 6.908 -7.794 -0.983 1.00 0.00 O ATOM 660 CB TRP A 166 4.571 -5.342 -1.213 1.00 0.00 C ATOM 661 CG TRP A 166 4.832 -5.394 -2.687 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.774 -4.686 -3.376 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.143 -6.195 -3.655 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.713 -4.997 -4.713 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.721 -5.921 -4.909 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.095 -7.117 -3.583 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.285 -6.536 -6.080 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.664 -7.726 -4.746 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.259 -7.434 -5.980 1.00 0.00 C ATOM 0 H TRP A 166 3.730 -5.797 1.051 1.00 0.00 H new ATOM 0 HA TRP A 166 4.416 -7.483 -1.080 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.533 -5.055 -1.046 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.193 -4.564 -0.769 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.466 -3.984 -2.935 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.309 -4.604 -5.441 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.631 -7.349 -2.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.741 -6.312 -7.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.854 -8.439 -4.703 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.900 -7.928 -6.871 1.00 0.00 H new ATOM 680 N LEU A 167 6.986 -6.033 0.415 1.00 0.00 N ATOM 681 CA LEU A 167 8.426 -6.115 0.631 1.00 0.00 C ATOM 682 C LEU A 167 8.792 -7.361 1.430 1.00 0.00 C ATOM 683 O LEU A 167 9.905 -7.878 1.319 1.00 0.00 O ATOM 684 CB LEU A 167 8.911 -4.866 1.366 1.00 0.00 C ATOM 685 CG LEU A 167 8.497 -3.544 0.719 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.879 -2.610 1.749 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.689 -2.885 0.043 1.00 0.00 C ATOM 0 H LEU A 167 6.529 -5.275 0.921 1.00 0.00 H new ATOM 0 HA LEU A 167 8.914 -6.179 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.530 -4.891 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.999 -4.898 1.431 1.00 0.00 H new ATOM 0 HG LEU A 167 7.745 -3.756 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.592 -1.676 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.997 -3.080 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.605 -2.404 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.376 -1.945 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.465 -2.689 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.083 -3.548 -0.728 1.00 0.00 H new ATOM 699 N ALA A 168 7.853 -7.833 2.240 1.00 0.00 N ATOM 700 CA ALA A 168 8.076 -9.015 3.066 1.00 0.00 C ATOM 701 C ALA A 168 7.597 -10.286 2.370 1.00 0.00 C ATOM 702 O ALA A 168 7.170 -11.237 3.025 1.00 0.00 O ATOM 703 CB ALA A 168 7.374 -8.855 4.406 1.00 0.00 C ATOM 0 H ALA A 168 6.928 -7.415 2.343 1.00 0.00 H new ATOM 0 HA ALA A 168 9.149 -9.110 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.546 -9.742 5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.768 -7.979 4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.304 -8.729 4.243 1.00 0.00 H new