USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 325 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 SER OG : rot 180:sc= 0 USER MOD Single : A 142 HIS : no HE2:sc= -7.57! C(o=-7.6!,f=-9.8!) USER MOD Single : A 143 ASN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 147 SER OG : rot 28:sc= -0.806 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot -40:sc= 0.981 USER MOD Single : A 159 THR OG1 : rot -5:sc= -0.191! USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 130 -7.239 5.303 -4.186 1.00 0.00 N ATOM 61 CA ALA A 130 -6.969 4.030 -3.530 1.00 0.00 C ATOM 62 C ALA A 130 -5.845 4.165 -2.511 1.00 0.00 C ATOM 63 O ALA A 130 -5.977 3.744 -1.362 1.00 0.00 O ATOM 64 CB ALA A 130 -6.623 2.966 -4.562 1.00 0.00 C ATOM 0 HA ALA A 130 -7.871 3.726 -2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -6.424 2.021 -4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.459 2.841 -5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.738 3.273 -5.119 1.00 0.00 H new ATOM 70 N LEU A 131 -4.740 4.757 -2.942 1.00 0.00 N ATOM 71 CA LEU A 131 -3.586 4.953 -2.072 1.00 0.00 C ATOM 72 C LEU A 131 -3.720 6.247 -1.276 1.00 0.00 C ATOM 73 O LEU A 131 -4.376 7.191 -1.713 1.00 0.00 O ATOM 74 CB LEU A 131 -2.297 4.974 -2.896 1.00 0.00 C ATOM 75 CG LEU A 131 -1.515 3.659 -2.906 1.00 0.00 C ATOM 76 CD1 LEU A 131 -1.973 2.775 -4.054 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.021 3.930 -3.001 1.00 0.00 C ATOM 0 H LEU A 131 -4.617 5.111 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.544 4.120 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.545 5.240 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.650 5.761 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.710 3.134 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -1.406 1.844 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -3.034 2.554 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.808 3.292 -4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.521 2.984 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.192 4.476 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.296 4.524 -2.144 1.00 0.00 H new ATOM 89 N SER A 132 -3.091 6.282 -0.106 1.00 0.00 N ATOM 90 CA SER A 132 -3.138 7.461 0.752 1.00 0.00 C ATOM 91 C SER A 132 -1.786 8.170 0.777 1.00 0.00 C ATOM 92 O SER A 132 -0.752 7.564 0.493 1.00 0.00 O ATOM 93 CB SER A 132 -3.549 7.069 2.172 1.00 0.00 C ATOM 94 OG SER A 132 -4.948 7.208 2.356 1.00 0.00 O ATOM 0 H SER A 132 -2.543 5.508 0.270 1.00 0.00 H new ATOM 0 HA SER A 132 -3.880 8.147 0.344 1.00 0.00 H new ATOM 0 HB2 SER A 132 -3.254 6.038 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 132 -3.021 7.694 2.892 1.00 0.00 H new ATOM 0 HG SER A 132 -5.185 6.950 3.271 1.00 0.00 H new ATOM 100 N PRO A 133 -1.776 9.470 1.122 1.00 0.00 N ATOM 101 CA PRO A 133 -0.543 10.259 1.186 1.00 0.00 C ATOM 102 C PRO A 133 0.542 9.570 2.007 1.00 0.00 C ATOM 103 O PRO A 133 1.695 9.482 1.583 1.00 0.00 O ATOM 104 CB PRO A 133 -0.986 11.555 1.865 1.00 0.00 C ATOM 105 CG PRO A 133 -2.435 11.675 1.540 1.00 0.00 C ATOM 106 CD PRO A 133 -2.964 10.268 1.479 1.00 0.00 C ATOM 0 HA PRO A 133 -0.102 10.409 0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.824 11.513 2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.424 12.411 1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.958 12.256 2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.581 12.188 0.589 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.385 9.956 2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.754 10.168 0.734 1.00 0.00 H new ATOM 114 N ALA A 134 0.164 9.083 3.184 1.00 0.00 N ATOM 115 CA ALA A 134 1.104 8.400 4.063 1.00 0.00 C ATOM 116 C ALA A 134 1.632 7.125 3.416 1.00 0.00 C ATOM 117 O ALA A 134 2.820 6.810 3.515 1.00 0.00 O ATOM 118 CB ALA A 134 0.442 8.083 5.397 1.00 0.00 C ATOM 0 H ALA A 134 -0.786 9.149 3.550 1.00 0.00 H new ATOM 0 HA ALA A 134 1.950 9.064 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.155 7.573 6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.119 9.009 5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -0.422 7.440 5.231 1.00 0.00 H new ATOM 124 N ILE A 135 0.745 6.392 2.750 1.00 0.00 N ATOM 125 CA ILE A 135 1.134 5.154 2.089 1.00 0.00 C ATOM 126 C ILE A 135 2.239 5.405 1.077 1.00 0.00 C ATOM 127 O ILE A 135 3.226 4.679 1.042 1.00 0.00 O ATOM 128 CB ILE A 135 -0.047 4.477 1.373 1.00 0.00 C ATOM 129 CG1 ILE A 135 -1.208 4.255 2.345 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.403 3.156 0.759 1.00 0.00 C ATOM 131 CD1 ILE A 135 -0.867 3.329 3.491 1.00 0.00 C ATOM 0 H ILE A 135 -0.242 6.633 2.655 1.00 0.00 H new ATOM 0 HA ILE A 135 1.490 4.488 2.874 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.395 5.131 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -1.523 5.218 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -2.057 3.845 1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.440 2.684 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.200 3.342 0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 135 0.771 2.496 1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.736 3.217 4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -0.580 2.354 3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -0.039 3.747 4.063 1.00 0.00 H new ATOM 143 N ARG A 136 2.074 6.434 0.251 1.00 0.00 N ATOM 144 CA ARG A 136 3.079 6.756 -0.757 1.00 0.00 C ATOM 145 C ARG A 136 4.459 6.815 -0.120 1.00 0.00 C ATOM 146 O ARG A 136 5.457 6.436 -0.733 1.00 0.00 O ATOM 147 CB ARG A 136 2.750 8.082 -1.444 1.00 0.00 C ATOM 148 CG ARG A 136 1.962 7.919 -2.734 1.00 0.00 C ATOM 149 CD ARG A 136 1.245 9.203 -3.118 1.00 0.00 C ATOM 150 NE ARG A 136 1.862 9.850 -4.274 1.00 0.00 N ATOM 151 CZ ARG A 136 1.251 10.761 -5.029 1.00 0.00 C ATOM 152 NH1 ARG A 136 0.007 11.135 -4.753 1.00 0.00 N ATOM 153 NH2 ARG A 136 1.883 11.298 -6.062 1.00 0.00 N ATOM 0 H ARG A 136 1.263 7.053 0.259 1.00 0.00 H new ATOM 0 HA ARG A 136 3.075 5.971 -1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.180 8.707 -0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.679 8.610 -1.659 1.00 0.00 H new ATOM 0 HG2 ARG A 136 2.636 7.624 -3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 136 1.234 7.116 -2.617 1.00 0.00 H new ATOM 0 HD2 ARG A 136 0.201 8.983 -3.340 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.253 9.890 -2.271 1.00 0.00 H new ATOM 0 HE ARG A 136 2.817 9.588 -4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.485 10.724 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.457 11.833 -5.334 1.00 0.00 H new ATOM 0 HH21 ARG A 136 2.838 11.014 -6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 136 1.414 11.996 -6.640 1.00 0.00 H new ATOM 167 N ARG A 137 4.501 7.262 1.128 1.00 0.00 N ATOM 168 CA ARG A 137 5.750 7.331 1.865 1.00 0.00 C ATOM 169 C ARG A 137 6.175 5.924 2.249 1.00 0.00 C ATOM 170 O ARG A 137 7.352 5.569 2.177 1.00 0.00 O ATOM 171 CB ARG A 137 5.585 8.190 3.118 1.00 0.00 C ATOM 172 CG ARG A 137 6.903 8.581 3.767 1.00 0.00 C ATOM 173 CD ARG A 137 7.726 9.480 2.857 1.00 0.00 C ATOM 174 NE ARG A 137 7.016 10.711 2.516 1.00 0.00 N ATOM 175 CZ ARG A 137 6.929 11.765 3.324 1.00 0.00 C ATOM 176 NH1 ARG A 137 7.504 11.743 4.520 1.00 0.00 N ATOM 177 NH2 ARG A 137 6.264 12.845 2.936 1.00 0.00 N ATOM 0 H ARG A 137 3.684 7.581 1.648 1.00 0.00 H new ATOM 0 HA ARG A 137 6.515 7.788 1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.035 9.095 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 137 4.980 7.647 3.844 1.00 0.00 H new ATOM 0 HG2 ARG A 137 6.708 9.095 4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 137 7.473 7.683 4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 137 8.667 9.728 3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.975 8.940 1.943 1.00 0.00 H new ATOM 0 HE ARG A 137 6.560 10.766 1.605 1.00 0.00 H new ATOM 0 HH11 ARG A 137 8.016 10.915 4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 137 7.434 12.554 5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 137 5.819 12.868 2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 137 6.197 13.653 3.555 1.00 0.00 H new ATOM 191 N LEU A 138 5.192 5.123 2.648 1.00 0.00 N ATOM 192 CA LEU A 138 5.434 3.741 3.038 1.00 0.00 C ATOM 193 C LEU A 138 5.980 2.930 1.864 1.00 0.00 C ATOM 194 O LEU A 138 7.024 2.288 1.974 1.00 0.00 O ATOM 195 CB LEU A 138 4.144 3.100 3.553 1.00 0.00 C ATOM 196 CG LEU A 138 4.278 1.639 3.980 1.00 0.00 C ATOM 197 CD1 LEU A 138 5.020 1.536 5.302 1.00 0.00 C ATOM 198 CD2 LEU A 138 2.912 0.981 4.083 1.00 0.00 C ATOM 0 H LEU A 138 4.215 5.411 2.709 1.00 0.00 H new ATOM 0 HA LEU A 138 6.177 3.742 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 138 3.781 3.680 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.385 3.167 2.773 1.00 0.00 H new ATOM 0 HG LEU A 138 4.854 1.113 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 138 5.106 0.488 5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 138 6.016 1.966 5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 138 4.471 2.080 6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 138 3.031 -0.059 4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 138 2.308 1.509 4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 138 2.415 1.020 3.113 1.00 0.00 H new ATOM 210 N LEU A 139 5.274 2.967 0.735 1.00 0.00 N ATOM 211 CA LEU A 139 5.700 2.239 -0.452 1.00 0.00 C ATOM 212 C LEU A 139 7.034 2.778 -0.942 1.00 0.00 C ATOM 213 O LEU A 139 7.891 2.028 -1.408 1.00 0.00 O ATOM 214 CB LEU A 139 4.648 2.354 -1.557 1.00 0.00 C ATOM 215 CG LEU A 139 3.483 1.369 -1.444 1.00 0.00 C ATOM 216 CD1 LEU A 139 2.183 2.026 -1.882 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.757 0.124 -2.274 1.00 0.00 C ATOM 0 H LEU A 139 4.407 3.493 0.620 1.00 0.00 H new ATOM 0 HA LEU A 139 5.816 1.187 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.249 3.368 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 139 5.137 2.207 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 139 3.383 1.073 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.366 1.310 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.979 2.888 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.271 2.351 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.918 -0.566 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.884 0.404 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.666 -0.360 -1.915 1.00 0.00 H new ATOM 229 N ALA A 140 7.203 4.088 -0.818 1.00 0.00 N ATOM 230 CA ALA A 140 8.438 4.739 -1.235 1.00 0.00 C ATOM 231 C ALA A 140 9.606 4.270 -0.376 1.00 0.00 C ATOM 232 O ALA A 140 10.727 4.115 -0.862 1.00 0.00 O ATOM 233 CB ALA A 140 8.292 6.252 -1.159 1.00 0.00 C ATOM 0 H ALA A 140 6.501 4.720 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 140 8.642 4.464 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 140 9.223 6.724 -1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.483 6.573 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.065 6.545 -0.134 1.00 0.00 H new ATOM 239 N GLU A 141 9.332 4.045 0.904 1.00 0.00 N ATOM 240 CA GLU A 141 10.349 3.589 1.840 1.00 0.00 C ATOM 241 C GLU A 141 10.613 2.098 1.670 1.00 0.00 C ATOM 242 O GLU A 141 11.761 1.659 1.619 1.00 0.00 O ATOM 243 CB GLU A 141 9.918 3.881 3.278 1.00 0.00 C ATOM 244 CG GLU A 141 9.825 5.364 3.597 1.00 0.00 C ATOM 245 CD GLU A 141 11.149 5.947 4.052 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.190 5.586 3.464 1.00 0.00 O ATOM 247 OE2 GLU A 141 11.145 6.764 4.995 1.00 0.00 O ATOM 0 H GLU A 141 8.408 4.172 1.318 1.00 0.00 H new ATOM 0 HA GLU A 141 11.271 4.131 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.948 3.418 3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.627 3.415 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.480 5.901 2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.078 5.518 4.375 1.00 0.00 H new ATOM 254 N HIS A 142 9.536 1.328 1.584 1.00 0.00 N ATOM 255 CA HIS A 142 9.637 -0.118 1.421 1.00 0.00 C ATOM 256 C HIS A 142 10.245 -0.480 0.065 1.00 0.00 C ATOM 257 O HIS A 142 10.670 -1.614 -0.149 1.00 0.00 O ATOM 258 CB HIS A 142 8.257 -0.764 1.561 1.00 0.00 C ATOM 259 CG HIS A 142 7.822 -0.951 2.981 1.00 0.00 C ATOM 260 ND1 HIS A 142 7.968 -2.141 3.663 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.235 -0.094 3.849 1.00 0.00 C ATOM 262 CE1 HIS A 142 7.488 -2.006 4.886 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.039 -0.773 5.025 1.00 0.00 N ATOM 0 H HIS A 142 8.580 1.681 1.624 1.00 0.00 H new ATOM 0 HA HIS A 142 10.294 -0.499 2.203 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.522 -0.147 1.043 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.267 -1.733 1.063 1.00 0.00 H new ATOM 0 HD1 HIS A 142 8.382 -2.992 3.282 1.00 0.00 H new ATOM 0 HD2 HIS A 142 6.970 0.934 3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 142 7.467 -2.775 5.644 1.00 0.00 H new ATOM 272 N ASN A 143 10.280 0.490 -0.848 1.00 0.00 N ATOM 273 CA ASN A 143 10.834 0.268 -2.180 1.00 0.00 C ATOM 274 C ASN A 143 9.929 -0.649 -2.997 1.00 0.00 C ATOM 275 O ASN A 143 10.376 -1.658 -3.545 1.00 0.00 O ATOM 276 CB ASN A 143 12.240 -0.331 -2.084 1.00 0.00 C ATOM 277 CG ASN A 143 13.183 0.236 -3.127 1.00 0.00 C ATOM 278 OD1 ASN A 143 14.260 0.736 -2.801 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.782 0.162 -4.391 1.00 0.00 N ATOM 0 H ASN A 143 9.931 1.435 -0.689 1.00 0.00 H new ATOM 0 HA ASN A 143 10.897 1.232 -2.685 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.646 -0.141 -1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 143 12.180 -1.413 -2.203 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.375 0.528 -5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 143 11.882 -0.261 -4.616 1.00 0.00 H new ATOM 286 N LEU A 144 8.651 -0.291 -3.075 1.00 0.00 N ATOM 287 CA LEU A 144 7.679 -1.078 -3.824 1.00 0.00 C ATOM 288 C LEU A 144 6.910 -0.204 -4.806 1.00 0.00 C ATOM 289 O LEU A 144 7.128 1.005 -4.883 1.00 0.00 O ATOM 290 CB LEU A 144 6.701 -1.770 -2.873 1.00 0.00 C ATOM 291 CG LEU A 144 7.320 -2.296 -1.580 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.238 -2.771 -0.625 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.303 -3.418 -1.878 1.00 0.00 C ATOM 0 H LEU A 144 8.265 0.540 -2.628 1.00 0.00 H new ATOM 0 HA LEU A 144 8.226 -1.835 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.907 -1.068 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 144 6.234 -2.602 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 144 7.864 -1.481 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.698 -3.142 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.573 -1.941 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.665 -3.571 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.735 -3.781 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.782 -4.234 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 144 9.097 -3.044 -2.524 1.00 0.00 H new ATOM 305 N ASP A 145 6.009 -0.827 -5.555 1.00 0.00 N ATOM 306 CA ASP A 145 5.201 -0.112 -6.536 1.00 0.00 C ATOM 307 C ASP A 145 3.718 -0.229 -6.207 1.00 0.00 C ATOM 308 O ASP A 145 3.190 -1.330 -6.053 1.00 0.00 O ATOM 309 CB ASP A 145 5.468 -0.655 -7.941 1.00 0.00 C ATOM 310 CG ASP A 145 5.365 0.420 -9.006 1.00 0.00 C ATOM 311 OD1 ASP A 145 5.800 1.561 -8.742 1.00 0.00 O ATOM 312 OD2 ASP A 145 4.849 0.120 -10.104 1.00 0.00 O ATOM 0 H ASP A 145 5.819 -1.828 -5.502 1.00 0.00 H new ATOM 0 HA ASP A 145 5.481 0.941 -6.502 1.00 0.00 H new ATOM 0 HB2 ASP A 145 6.463 -1.100 -7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.756 -1.450 -8.161 1.00 0.00 H new ATOM 317 N ALA A 146 3.052 0.915 -6.101 1.00 0.00 N ATOM 318 CA ALA A 146 1.628 0.948 -5.789 1.00 0.00 C ATOM 319 C ALA A 146 0.826 0.131 -6.795 1.00 0.00 C ATOM 320 O ALA A 146 -0.053 -0.645 -6.420 1.00 0.00 O ATOM 321 CB ALA A 146 1.135 2.385 -5.758 1.00 0.00 C ATOM 0 H ALA A 146 3.476 1.834 -6.227 1.00 0.00 H new ATOM 0 HA ALA A 146 1.483 0.502 -4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 146 0.070 2.399 -5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 146 1.681 2.941 -4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.299 2.847 -6.732 1.00 0.00 H new ATOM 327 N SER A 147 1.136 0.308 -8.075 1.00 0.00 N ATOM 328 CA SER A 147 0.445 -0.416 -9.136 1.00 0.00 C ATOM 329 C SER A 147 0.608 -1.924 -8.963 1.00 0.00 C ATOM 330 O SER A 147 -0.212 -2.706 -9.444 1.00 0.00 O ATOM 331 CB SER A 147 0.976 0.012 -10.505 1.00 0.00 C ATOM 332 OG SER A 147 2.392 0.066 -10.509 1.00 0.00 O ATOM 0 H SER A 147 1.861 0.946 -8.403 1.00 0.00 H new ATOM 0 HA SER A 147 -0.616 -0.174 -9.074 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.634 -0.689 -11.267 1.00 0.00 H new ATOM 0 HB3 SER A 147 0.571 0.990 -10.766 1.00 0.00 H new ATOM 0 HG SER A 147 2.745 -0.568 -9.850 1.00 0.00 H new ATOM 338 N ALA A 148 1.671 -2.327 -8.271 1.00 0.00 N ATOM 339 CA ALA A 148 1.939 -3.741 -8.036 1.00 0.00 C ATOM 340 C ALA A 148 1.296 -4.224 -6.736 1.00 0.00 C ATOM 341 O ALA A 148 1.594 -5.317 -6.258 1.00 0.00 O ATOM 342 CB ALA A 148 3.438 -3.993 -8.008 1.00 0.00 C ATOM 0 H ALA A 148 2.359 -1.694 -7.864 1.00 0.00 H new ATOM 0 HA ALA A 148 1.497 -4.307 -8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.626 -5.052 -7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.874 -3.701 -8.963 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.891 -3.406 -7.209 1.00 0.00 H new ATOM 348 N ILE A 149 0.411 -3.407 -6.168 1.00 0.00 N ATOM 349 CA ILE A 149 -0.268 -3.762 -4.928 1.00 0.00 C ATOM 350 C ILE A 149 -1.716 -3.285 -4.942 1.00 0.00 C ATOM 351 O ILE A 149 -2.080 -2.396 -5.712 1.00 0.00 O ATOM 352 CB ILE A 149 0.445 -3.164 -3.698 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.958 -3.370 -3.808 1.00 0.00 C ATOM 354 CG2 ILE A 149 -0.090 -3.794 -2.420 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.732 -2.815 -2.632 1.00 0.00 C ATOM 0 H ILE A 149 0.149 -2.497 -6.547 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.243 -4.849 -4.856 1.00 0.00 H new ATOM 0 HB ILE A 149 0.245 -2.093 -3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.165 -4.436 -3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.315 -2.897 -4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.422 -3.363 -1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.160 -3.601 -2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.084 -4.870 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.797 -2.997 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.555 -1.742 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.403 -3.305 -1.716 1.00 0.00 H new ATOM 367 N LYS A 150 -2.539 -3.883 -4.087 1.00 0.00 N ATOM 368 CA LYS A 150 -3.948 -3.518 -4.001 1.00 0.00 C ATOM 369 C LYS A 150 -4.303 -3.054 -2.592 1.00 0.00 C ATOM 370 O LYS A 150 -3.543 -3.268 -1.648 1.00 0.00 O ATOM 371 CB LYS A 150 -4.829 -4.704 -4.402 1.00 0.00 C ATOM 372 CG LYS A 150 -5.321 -4.637 -5.838 1.00 0.00 C ATOM 373 CD LYS A 150 -4.451 -5.472 -6.765 1.00 0.00 C ATOM 374 CE LYS A 150 -4.796 -5.225 -8.226 1.00 0.00 C ATOM 375 NZ LYS A 150 -4.777 -6.483 -9.021 1.00 0.00 N ATOM 0 H LYS A 150 -2.255 -4.622 -3.444 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.129 -2.693 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -4.267 -5.627 -4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.689 -4.750 -3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -6.351 -4.990 -5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -5.323 -3.600 -6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.401 -5.234 -6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -4.581 -6.529 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.783 -4.768 -8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -4.086 -4.516 -8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.017 -6.272 -10.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -3.828 -6.907 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -5.472 -7.151 -8.631 1.00 0.00 H new ATOM 389 N GLY A 151 -5.462 -2.418 -2.458 1.00 0.00 N ATOM 390 CA GLY A 151 -5.895 -1.934 -1.161 1.00 0.00 C ATOM 391 C GLY A 151 -7.163 -2.611 -0.681 1.00 0.00 C ATOM 392 O GLY A 151 -7.959 -3.095 -1.485 1.00 0.00 O ATOM 0 H GLY A 151 -6.109 -2.229 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.101 -2.098 -0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.060 -0.858 -1.215 1.00 0.00 H new ATOM 396 N THR A 152 -7.353 -2.644 0.634 1.00 0.00 N ATOM 397 CA THR A 152 -8.535 -3.266 1.222 1.00 0.00 C ATOM 398 C THR A 152 -9.224 -2.322 2.204 1.00 0.00 C ATOM 399 O THR A 152 -10.021 -2.755 3.037 1.00 0.00 O ATOM 400 CB THR A 152 -8.152 -4.568 1.929 1.00 0.00 C ATOM 401 OG1 THR A 152 -9.306 -5.235 2.409 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.220 -4.359 3.104 1.00 0.00 C ATOM 0 H THR A 152 -6.704 -2.247 1.313 1.00 0.00 H new ATOM 0 HA THR A 152 -9.234 -3.488 0.416 1.00 0.00 H new ATOM 0 HB THR A 152 -7.635 -5.164 1.177 1.00 0.00 H new ATOM 0 HG1 THR A 152 -9.937 -4.578 2.771 1.00 0.00 H new ATOM 0 HG21 THR A 152 -6.988 -5.321 3.560 1.00 0.00 H new ATOM 0 HG22 THR A 152 -6.299 -3.890 2.759 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.701 -3.715 3.840 1.00 0.00 H new ATOM 410 N GLY A 153 -8.915 -1.032 2.103 1.00 0.00 N ATOM 411 CA GLY A 153 -9.517 -0.053 2.990 1.00 0.00 C ATOM 412 C GLY A 153 -11.018 0.053 2.802 1.00 0.00 C ATOM 413 O GLY A 153 -11.704 -0.958 2.655 1.00 0.00 O ATOM 0 H GLY A 153 -8.259 -0.648 1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.301 -0.323 4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -9.062 0.922 2.813 1.00 0.00 H new ATOM 417 N VAL A 154 -11.528 1.280 2.806 1.00 0.00 N ATOM 418 CA VAL A 154 -12.956 1.514 2.634 1.00 0.00 C ATOM 419 C VAL A 154 -13.390 1.217 1.202 1.00 0.00 C ATOM 420 O VAL A 154 -13.798 2.114 0.464 1.00 0.00 O ATOM 421 CB VAL A 154 -13.334 2.965 2.987 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.845 3.141 2.982 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.750 3.356 4.336 1.00 0.00 C ATOM 0 H VAL A 154 -10.973 2.127 2.927 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.474 0.839 3.315 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.912 3.625 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.092 4.172 3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.235 2.906 1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.292 2.471 3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -13.028 4.384 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -13.140 2.692 5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.664 3.273 4.300 1.00 0.00 H new ATOM 433 N GLY A 155 -13.297 -0.051 0.814 1.00 0.00 N ATOM 434 CA GLY A 155 -13.680 -0.448 -0.529 1.00 0.00 C ATOM 435 C GLY A 155 -12.503 -0.951 -1.341 1.00 0.00 C ATOM 436 O GLY A 155 -12.666 -1.787 -2.231 1.00 0.00 O ATOM 0 H GLY A 155 -12.963 -0.811 1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.438 -1.229 -0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.134 0.401 -1.040 1.00 0.00 H new ATOM 440 N GLY A 156 -11.314 -0.443 -1.033 1.00 0.00 N ATOM 441 CA GLY A 156 -10.122 -0.859 -1.748 1.00 0.00 C ATOM 442 C GLY A 156 -8.996 0.152 -1.640 1.00 0.00 C ATOM 443 O GLY A 156 -8.313 0.437 -2.623 1.00 0.00 O ATOM 0 H GLY A 156 -11.155 0.249 -0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.783 -1.818 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.368 -1.013 -2.799 1.00 0.00 H new ATOM 447 N ARG A 157 -8.803 0.694 -0.442 1.00 0.00 N ATOM 448 CA ARG A 157 -7.751 1.679 -0.210 1.00 0.00 C ATOM 449 C ARG A 157 -6.491 1.015 0.338 1.00 0.00 C ATOM 450 O ARG A 157 -6.557 0.195 1.253 1.00 0.00 O ATOM 451 CB ARG A 157 -8.236 2.757 0.763 1.00 0.00 C ATOM 452 CG ARG A 157 -9.659 3.219 0.500 1.00 0.00 C ATOM 453 CD ARG A 157 -9.775 3.932 -0.840 1.00 0.00 C ATOM 454 NE ARG A 157 -10.620 5.122 -0.756 1.00 0.00 N ATOM 455 CZ ARG A 157 -11.950 5.093 -0.803 1.00 0.00 C ATOM 456 NH1 ARG A 157 -12.593 3.939 -0.928 1.00 0.00 N ATOM 457 NH2 ARG A 157 -12.639 6.223 -0.725 1.00 0.00 N ATOM 0 H ARG A 157 -9.360 0.469 0.382 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.509 2.143 -1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.170 2.372 1.781 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.567 3.616 0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -10.330 2.360 0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -9.979 3.888 1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.781 4.217 -1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -10.187 3.247 -1.581 1.00 0.00 H new ATOM 0 HE ARG A 157 -10.163 6.028 -0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -12.068 3.067 -0.989 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -13.612 3.924 -0.963 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -12.150 7.113 -0.629 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -13.658 6.202 -0.761 1.00 0.00 H new ATOM 471 N LEU A 158 -5.344 1.379 -0.228 1.00 0.00 N ATOM 472 CA LEU A 158 -4.066 0.824 0.204 1.00 0.00 C ATOM 473 C LEU A 158 -3.827 1.101 1.685 1.00 0.00 C ATOM 474 O LEU A 158 -3.864 2.251 2.125 1.00 0.00 O ATOM 475 CB LEU A 158 -2.925 1.417 -0.629 1.00 0.00 C ATOM 476 CG LEU A 158 -1.777 0.455 -0.947 1.00 0.00 C ATOM 477 CD1 LEU A 158 -1.101 -0.017 0.332 1.00 0.00 C ATOM 478 CD2 LEU A 158 -2.277 -0.731 -1.758 1.00 0.00 C ATOM 0 H LEU A 158 -5.274 2.056 -0.987 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.095 -0.255 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.337 1.787 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.519 2.278 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 158 -1.040 0.991 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.288 -0.700 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.701 0.842 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.828 -0.532 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -1.445 -1.402 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -3.037 -1.266 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.708 -0.376 -2.694 1.00 0.00 H new ATOM 490 N THR A 159 -3.585 0.042 2.452 1.00 0.00 N ATOM 491 CA THR A 159 -3.344 0.177 3.884 1.00 0.00 C ATOM 492 C THR A 159 -2.036 -0.497 4.288 1.00 0.00 C ATOM 493 O THR A 159 -1.507 -1.342 3.560 1.00 0.00 O ATOM 494 CB THR A 159 -4.504 -0.425 4.678 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.097 -1.498 3.966 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.595 0.574 4.995 1.00 0.00 C ATOM 0 H THR A 159 -3.551 -0.917 2.106 1.00 0.00 H new ATOM 0 HA THR A 159 -3.268 1.240 4.111 1.00 0.00 H new ATOM 0 HB THR A 159 -4.065 -0.768 5.615 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.685 -1.570 3.080 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.387 0.081 5.559 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.181 1.390 5.588 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.005 0.972 4.067 1.00 0.00 H new ATOM 504 N ARG A 160 -1.522 -0.123 5.457 1.00 0.00 N ATOM 505 CA ARG A 160 -0.277 -0.694 5.961 1.00 0.00 C ATOM 506 C ARG A 160 -0.374 -2.213 6.024 1.00 0.00 C ATOM 507 O ARG A 160 0.618 -2.918 5.842 1.00 0.00 O ATOM 508 CB ARG A 160 0.042 -0.132 7.348 1.00 0.00 C ATOM 509 CG ARG A 160 0.047 1.386 7.404 1.00 0.00 C ATOM 510 CD ARG A 160 0.478 1.894 8.771 1.00 0.00 C ATOM 511 NE ARG A 160 -0.385 2.969 9.254 1.00 0.00 N ATOM 512 CZ ARG A 160 -0.458 3.347 10.529 1.00 0.00 C ATOM 513 NH1 ARG A 160 0.278 2.739 11.450 1.00 0.00 N ATOM 514 NH2 ARG A 160 -1.270 4.334 10.882 1.00 0.00 N ATOM 0 H ARG A 160 -1.947 0.571 6.071 1.00 0.00 H new ATOM 0 HA ARG A 160 0.527 -0.423 5.277 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.690 -0.511 8.061 1.00 0.00 H new ATOM 0 HB3 ARG A 160 1.017 -0.502 7.665 1.00 0.00 H new ATOM 0 HG2 ARG A 160 0.720 1.777 6.641 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -0.949 1.763 7.173 1.00 0.00 H new ATOM 0 HD2 ARG A 160 0.464 1.070 9.485 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.506 2.252 8.717 1.00 0.00 H new ATOM 0 HE ARG A 160 -0.966 3.459 8.574 1.00 0.00 H new ATOM 0 HH11 ARG A 160 0.903 1.979 11.183 1.00 0.00 H new ATOM 0 HH12 ARG A 160 0.219 3.032 12.425 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -1.839 4.803 10.177 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -1.326 4.624 11.858 1.00 0.00 H new ATOM 528 N GLU A 161 -1.582 -2.710 6.266 1.00 0.00 N ATOM 529 CA GLU A 161 -1.814 -4.145 6.334 1.00 0.00 C ATOM 530 C GLU A 161 -1.640 -4.769 4.955 1.00 0.00 C ATOM 531 O GLU A 161 -1.121 -5.876 4.822 1.00 0.00 O ATOM 532 CB GLU A 161 -3.218 -4.435 6.868 1.00 0.00 C ATOM 533 CG GLU A 161 -3.383 -5.846 7.407 1.00 0.00 C ATOM 534 CD GLU A 161 -3.931 -5.872 8.821 1.00 0.00 C ATOM 535 OE1 GLU A 161 -5.099 -5.474 9.013 1.00 0.00 O ATOM 536 OE2 GLU A 161 -3.191 -6.291 9.737 1.00 0.00 O ATOM 0 H GLU A 161 -2.414 -2.140 6.418 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.085 -4.583 7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.451 -3.723 7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.942 -4.273 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -4.052 -6.405 6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.419 -6.354 7.386 1.00 0.00 H new ATOM 543 N ASP A 162 -2.071 -4.041 3.928 1.00 0.00 N ATOM 544 CA ASP A 162 -1.958 -4.514 2.556 1.00 0.00 C ATOM 545 C ASP A 162 -0.494 -4.635 2.152 1.00 0.00 C ATOM 546 O ASP A 162 -0.065 -5.662 1.626 1.00 0.00 O ATOM 547 CB ASP A 162 -2.684 -3.562 1.603 1.00 0.00 C ATOM 548 CG ASP A 162 -4.188 -3.595 1.788 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.737 -4.700 1.988 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.817 -2.518 1.731 1.00 0.00 O ATOM 0 H ASP A 162 -2.502 -3.121 4.023 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.422 -5.498 2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.323 -2.546 1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.441 -3.827 0.574 1.00 0.00 H new ATOM 555 N VAL A 163 0.271 -3.579 2.410 1.00 0.00 N ATOM 556 CA VAL A 163 1.690 -3.567 2.080 1.00 0.00 C ATOM 557 C VAL A 163 2.433 -4.663 2.838 1.00 0.00 C ATOM 558 O VAL A 163 3.342 -5.295 2.300 1.00 0.00 O ATOM 559 CB VAL A 163 2.333 -2.206 2.405 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.776 -2.164 1.924 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.526 -1.074 1.787 1.00 0.00 C ATOM 0 H VAL A 163 -0.068 -2.722 2.846 1.00 0.00 H new ATOM 0 HA VAL A 163 1.770 -3.747 1.008 1.00 0.00 H new ATOM 0 HB VAL A 163 2.333 -2.076 3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.211 -1.194 2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.347 -2.950 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 163 3.805 -2.318 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 163 1.995 -0.120 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.492 -1.200 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.512 -1.090 2.186 1.00 0.00 H new ATOM 571 N GLU A 164 2.040 -4.881 4.089 1.00 0.00 N ATOM 572 CA GLU A 164 2.670 -5.901 4.919 1.00 0.00 C ATOM 573 C GLU A 164 2.482 -7.288 4.313 1.00 0.00 C ATOM 574 O GLU A 164 3.436 -8.055 4.187 1.00 0.00 O ATOM 575 CB GLU A 164 2.090 -5.867 6.335 1.00 0.00 C ATOM 576 CG GLU A 164 2.812 -4.904 7.264 1.00 0.00 C ATOM 577 CD GLU A 164 3.815 -5.603 8.160 1.00 0.00 C ATOM 578 OE1 GLU A 164 4.267 -6.709 7.797 1.00 0.00 O ATOM 579 OE2 GLU A 164 4.150 -5.044 9.226 1.00 0.00 O ATOM 0 H GLU A 164 1.290 -4.366 4.549 1.00 0.00 H new ATOM 0 HA GLU A 164 3.738 -5.687 4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 164 1.038 -5.587 6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.132 -6.870 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.325 -4.148 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 164 2.080 -4.382 7.881 1.00 0.00 H new ATOM 586 N LYS A 165 1.247 -7.604 3.936 1.00 0.00 N ATOM 587 CA LYS A 165 0.941 -8.899 3.340 1.00 0.00 C ATOM 588 C LYS A 165 1.686 -9.074 2.021 1.00 0.00 C ATOM 589 O LYS A 165 2.136 -10.171 1.690 1.00 0.00 O ATOM 590 CB LYS A 165 -0.565 -9.041 3.113 1.00 0.00 C ATOM 591 CG LYS A 165 -1.380 -9.067 4.397 1.00 0.00 C ATOM 592 CD LYS A 165 -0.798 -10.039 5.412 1.00 0.00 C ATOM 593 CE LYS A 165 -1.757 -10.282 6.566 1.00 0.00 C ATOM 594 NZ LYS A 165 -1.386 -9.492 7.773 1.00 0.00 N ATOM 0 H LYS A 165 0.444 -6.983 4.032 1.00 0.00 H new ATOM 0 HA LYS A 165 1.268 -9.676 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.909 -8.214 2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.754 -9.958 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.412 -8.066 4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.408 -9.350 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -0.570 -10.985 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 165 0.143 -9.645 5.796 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -2.769 -10.020 6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -1.764 -11.343 6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -2.064 -9.686 8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -0.430 -9.760 8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -1.404 -8.478 7.543 1.00 0.00 H new ATOM 608 N TRP A 166 1.816 -7.982 1.274 1.00 0.00 N ATOM 609 CA TRP A 166 2.509 -8.013 -0.008 1.00 0.00 C ATOM 610 C TRP A 166 4.010 -8.194 0.192 1.00 0.00 C ATOM 611 O TRP A 166 4.650 -8.982 -0.505 1.00 0.00 O ATOM 612 CB TRP A 166 2.241 -6.725 -0.789 1.00 0.00 C ATOM 613 CG TRP A 166 2.864 -6.718 -2.151 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.032 -6.111 -2.516 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.352 -7.346 -3.333 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.278 -6.325 -3.851 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.261 -7.080 -4.374 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.214 -8.108 -3.609 1.00 0.00 C ATOM 619 CZ2 TRP A 166 3.066 -7.551 -5.670 1.00 0.00 C ATOM 620 CZ3 TRP A 166 1.021 -8.574 -4.897 1.00 0.00 C ATOM 621 CH2 TRP A 166 1.943 -8.294 -5.913 1.00 0.00 C ATOM 0 H TRP A 166 1.451 -7.066 1.535 1.00 0.00 H new ATOM 0 HA TRP A 166 2.129 -8.861 -0.578 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.165 -6.586 -0.889 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.620 -5.877 -0.219 1.00 0.00 H new ATOM 0 HD1 TRP A 166 4.669 -5.545 -1.852 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.086 -5.978 -4.368 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.498 -8.329 -2.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 3.776 -7.337 -6.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 0.145 -9.164 -5.123 1.00 0.00 H new ATOM 0 HH2 TRP A 166 1.764 -8.672 -6.909 1.00 0.00 H new ATOM 632 N LEU A 167 4.566 -7.457 1.149 1.00 0.00 N ATOM 633 CA LEU A 167 5.992 -7.535 1.443 1.00 0.00 C ATOM 634 C LEU A 167 6.379 -8.938 1.897 1.00 0.00 C ATOM 635 O LEU A 167 7.440 -9.448 1.540 1.00 0.00 O ATOM 636 CB LEU A 167 6.367 -6.515 2.520 1.00 0.00 C ATOM 637 CG LEU A 167 6.456 -5.067 2.036 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.015 -4.110 3.132 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.871 -4.743 1.581 1.00 0.00 C ATOM 0 H LEU A 167 4.050 -6.799 1.734 1.00 0.00 H new ATOM 0 HA LEU A 167 6.539 -7.306 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.631 -6.569 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.328 -6.799 2.949 1.00 0.00 H new ATOM 0 HG LEU A 167 5.785 -4.947 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.085 -3.084 2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 167 4.984 -4.327 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.660 -4.232 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.916 -3.709 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.561 -4.881 2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.151 -5.407 0.763 1.00 0.00 H new ATOM 651 N ALA A 168 5.511 -9.555 2.689 1.00 0.00 N ATOM 652 CA ALA A 168 5.757 -10.899 3.196 1.00 0.00 C ATOM 653 C ALA A 168 5.655 -11.934 2.080 1.00 0.00 C ATOM 654 O ALA A 168 6.338 -12.958 2.106 1.00 0.00 O ATOM 655 CB ALA A 168 4.781 -11.229 4.314 1.00 0.00 C ATOM 0 H ALA A 168 4.628 -9.145 2.995 1.00 0.00 H new ATOM 0 HA ALA A 168 6.771 -10.930 3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.977 -12.236 4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.905 -10.514 5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.761 -11.174 3.934 1.00 0.00 H new ATOM 661 N LYS A 169 4.799 -11.660 1.102 1.00 0.00 N ATOM 662 CA LYS A 169 4.607 -12.568 -0.023 1.00 0.00 C ATOM 663 C LYS A 169 5.638 -12.304 -1.117 1.00 0.00 C ATOM 664 O LYS A 169 6.067 -13.223 -1.814 1.00 0.00 O ATOM 665 CB LYS A 169 3.195 -12.420 -0.590 1.00 0.00 C ATOM 666 CG LYS A 169 2.626 -13.713 -1.153 1.00 0.00 C ATOM 667 CD LYS A 169 1.537 -13.443 -2.178 1.00 0.00 C ATOM 668 CE LYS A 169 1.470 -14.545 -3.223 1.00 0.00 C ATOM 669 NZ LYS A 169 2.206 -14.177 -4.465 1.00 0.00 N ATOM 0 H LYS A 169 4.227 -10.816 1.065 1.00 0.00 H new ATOM 0 HA LYS A 169 4.740 -13.588 0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.534 -12.054 0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.205 -11.665 -1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 169 3.425 -14.293 -1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 169 2.221 -14.317 -0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 169 0.574 -13.359 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.725 -12.487 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 169 1.890 -15.463 -2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 169 0.428 -14.752 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 2.137 -14.954 -5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 1.790 -13.316 -4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 3.206 -14.004 -4.238 1.00 0.00 H new ATOM 683 N ALA A 170 6.030 -11.042 -1.261 1.00 0.00 N ATOM 684 CA ALA A 170 7.009 -10.657 -2.270 1.00 0.00 C ATOM 685 C ALA A 170 8.431 -10.869 -1.763 1.00 0.00 C ATOM 686 O ALA A 170 8.854 -10.121 -0.858 1.00 0.00 O ATOM 687 CB ALA A 170 6.803 -9.206 -2.676 1.00 0.00 C ATOM 688 OXT ALA A 170 9.110 -11.784 -2.276 1.00 0.00 O ATOM 0 H ALA A 170 5.685 -10.269 -0.692 1.00 0.00 H new ATOM 0 HA ALA A 170 6.864 -11.292 -3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 170 7.540 -8.931 -3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 170 5.801 -9.082 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 170 6.920 -8.564 -1.803 1.00 0.00 H new