USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 320 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= -1.66 USER MOD Single : A 142 HIS : no HE2:sc= -8.37! C(o=-8.4!,f=-9.3!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ -111:sc= -0.0767 (180deg=-2.7!) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot -21:sc= -1.32! USER MOD Single : A 165 LYS NZ :NH3+ 153:sc=-0.000494 (180deg=-0.824!) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 131 -4.017 5.780 -2.279 1.00 0.00 N ATOM 71 CA LEU A 131 -2.896 5.675 -1.353 1.00 0.00 C ATOM 72 C LEU A 131 -3.142 6.507 -0.097 1.00 0.00 C ATOM 73 O LEU A 131 -4.132 7.234 -0.006 1.00 0.00 O ATOM 74 CB LEU A 131 -1.602 6.124 -2.037 1.00 0.00 C ATOM 75 CG LEU A 131 -0.653 4.993 -2.433 1.00 0.00 C ATOM 76 CD1 LEU A 131 0.107 5.352 -3.701 1.00 0.00 C ATOM 77 CD2 LEU A 131 0.313 4.687 -1.298 1.00 0.00 C ATOM 0 HA LEU A 131 -2.799 4.631 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.860 6.691 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.073 6.804 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.245 4.100 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.777 4.535 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.600 5.521 -4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.689 6.258 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.981 3.879 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.899 5.577 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.248 4.385 -0.414 1.00 0.00 H new ATOM 89 N SER A 132 -2.235 6.396 0.869 1.00 0.00 N ATOM 90 CA SER A 132 -2.351 7.137 2.120 1.00 0.00 C ATOM 91 C SER A 132 -1.091 7.960 2.384 1.00 0.00 C ATOM 92 O SER A 132 -0.043 7.709 1.790 1.00 0.00 O ATOM 93 CB SER A 132 -2.604 6.176 3.283 1.00 0.00 C ATOM 94 OG SER A 132 -3.504 6.737 4.222 1.00 0.00 O ATOM 0 H SER A 132 -1.410 5.799 0.809 1.00 0.00 H new ATOM 0 HA SER A 132 -3.196 7.820 2.034 1.00 0.00 H new ATOM 0 HB2 SER A 132 -3.009 5.238 2.902 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.661 5.940 3.775 1.00 0.00 H new ATOM 0 HG SER A 132 -3.650 6.102 4.954 1.00 0.00 H new ATOM 100 N PRO A 133 -1.179 8.961 3.277 1.00 0.00 N ATOM 101 CA PRO A 133 -0.041 9.828 3.610 1.00 0.00 C ATOM 102 C PRO A 133 1.169 9.046 4.112 1.00 0.00 C ATOM 103 O PRO A 133 2.266 9.163 3.563 1.00 0.00 O ATOM 104 CB PRO A 133 -0.587 10.731 4.721 1.00 0.00 C ATOM 105 CG PRO A 133 -2.067 10.705 4.543 1.00 0.00 C ATOM 106 CD PRO A 133 -2.393 9.334 4.024 1.00 0.00 C ATOM 0 HA PRO A 133 0.316 10.371 2.735 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.301 10.362 5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.196 11.745 4.634 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.578 10.897 5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.390 11.475 3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.598 8.635 4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.274 9.345 3.382 1.00 0.00 H new ATOM 114 N ALA A 134 0.970 8.255 5.161 1.00 0.00 N ATOM 115 CA ALA A 134 2.052 7.465 5.737 1.00 0.00 C ATOM 116 C ALA A 134 2.485 6.346 4.796 1.00 0.00 C ATOM 117 O ALA A 134 3.679 6.157 4.543 1.00 0.00 O ATOM 118 CB ALA A 134 1.625 6.891 7.080 1.00 0.00 C ATOM 0 H ALA A 134 0.071 8.144 5.629 1.00 0.00 H new ATOM 0 HA ALA A 134 2.907 8.124 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.441 6.303 7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.376 7.705 7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.752 6.253 6.942 1.00 0.00 H new ATOM 124 N ILE A 135 1.515 5.605 4.274 1.00 0.00 N ATOM 125 CA ILE A 135 1.818 4.512 3.364 1.00 0.00 C ATOM 126 C ILE A 135 2.577 5.016 2.147 1.00 0.00 C ATOM 127 O ILE A 135 3.551 4.406 1.729 1.00 0.00 O ATOM 128 CB ILE A 135 0.551 3.771 2.897 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.192 3.188 4.101 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.920 2.670 1.906 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.606 2.753 3.788 1.00 0.00 C ATOM 0 H ILE A 135 0.522 5.740 4.464 1.00 0.00 H new ATOM 0 HA ILE A 135 2.438 3.810 3.921 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.108 4.479 2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.366 2.333 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.218 3.933 4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.016 2.153 1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.415 3.110 1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.593 1.959 2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.070 2.350 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.181 3.610 3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.588 1.985 3.015 1.00 0.00 H new ATOM 143 N ARG A 136 2.136 6.136 1.581 1.00 0.00 N ATOM 144 CA ARG A 136 2.803 6.700 0.413 1.00 0.00 C ATOM 145 C ARG A 136 4.300 6.795 0.666 1.00 0.00 C ATOM 146 O ARG A 136 5.111 6.555 -0.228 1.00 0.00 O ATOM 147 CB ARG A 136 2.236 8.081 0.077 1.00 0.00 C ATOM 148 CG ARG A 136 1.103 8.046 -0.936 1.00 0.00 C ATOM 149 CD ARG A 136 1.067 9.315 -1.773 1.00 0.00 C ATOM 150 NE ARG A 136 0.025 9.268 -2.796 1.00 0.00 N ATOM 151 CZ ARG A 136 -0.474 10.346 -3.396 1.00 0.00 C ATOM 152 NH1 ARG A 136 -0.030 11.557 -3.079 1.00 0.00 N ATOM 153 NH2 ARG A 136 -1.419 10.215 -4.317 1.00 0.00 N ATOM 0 H ARG A 136 1.328 6.666 1.908 1.00 0.00 H new ATOM 0 HA ARG A 136 2.625 6.042 -0.438 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.878 8.550 0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.038 8.709 -0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.223 7.181 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.152 7.924 -0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 136 0.898 10.173 -1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.036 9.462 -2.250 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.342 8.355 -3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.697 11.665 -2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.416 12.379 -3.542 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.764 9.288 -4.566 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -1.801 11.041 -4.777 1.00 0.00 H new ATOM 167 N ARG A 137 4.655 7.116 1.903 1.00 0.00 N ATOM 168 CA ARG A 137 6.052 7.204 2.286 1.00 0.00 C ATOM 169 C ARG A 137 6.653 5.809 2.305 1.00 0.00 C ATOM 170 O ARG A 137 7.778 5.593 1.854 1.00 0.00 O ATOM 171 CB ARG A 137 6.190 7.854 3.664 1.00 0.00 C ATOM 172 CG ARG A 137 7.629 8.148 4.057 1.00 0.00 C ATOM 173 CD ARG A 137 7.718 9.346 4.988 1.00 0.00 C ATOM 174 NE ARG A 137 7.684 8.950 6.394 1.00 0.00 N ATOM 175 CZ ARG A 137 8.064 9.741 7.394 1.00 0.00 C ATOM 176 NH1 ARG A 137 8.506 10.968 7.149 1.00 0.00 N ATOM 177 NH2 ARG A 137 8.001 9.304 8.645 1.00 0.00 N ATOM 0 H ARG A 137 3.995 7.319 2.654 1.00 0.00 H new ATOM 0 HA ARG A 137 6.584 7.822 1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.622 8.784 3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.745 7.198 4.412 1.00 0.00 H new ATOM 0 HG2 ARG A 137 8.060 7.274 4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 137 8.221 8.337 3.161 1.00 0.00 H new ATOM 0 HD2 ARG A 137 8.639 9.893 4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.892 10.027 4.783 1.00 0.00 H new ATOM 0 HE ARG A 137 7.350 8.014 6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 137 8.556 11.310 6.189 1.00 0.00 H new ATOM 0 HH12 ARG A 137 8.796 11.569 7.920 1.00 0.00 H new ATOM 0 HH21 ARG A 137 7.661 8.362 8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 137 8.292 9.910 9.412 1.00 0.00 H new ATOM 191 N LEU A 138 5.880 4.860 2.825 1.00 0.00 N ATOM 192 CA LEU A 138 6.321 3.472 2.898 1.00 0.00 C ATOM 193 C LEU A 138 6.558 2.898 1.502 1.00 0.00 C ATOM 194 O LEU A 138 7.632 2.373 1.212 1.00 0.00 O ATOM 195 CB LEU A 138 5.289 2.619 3.637 1.00 0.00 C ATOM 196 CG LEU A 138 5.669 1.146 3.787 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.883 1.001 4.691 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.501 0.341 4.332 1.00 0.00 C ATOM 0 H LEU A 138 4.947 5.027 3.201 1.00 0.00 H new ATOM 0 HA LEU A 138 7.262 3.451 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.131 3.042 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.338 2.683 3.108 1.00 0.00 H new ATOM 0 HG LEU A 138 5.921 0.756 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.141 -0.054 4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.725 1.542 4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.655 1.410 5.675 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.794 -0.704 4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.214 0.731 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.656 0.418 3.648 1.00 0.00 H new ATOM 210 N LEU A 139 5.554 3.011 0.632 1.00 0.00 N ATOM 211 CA LEU A 139 5.668 2.505 -0.731 1.00 0.00 C ATOM 212 C LEU A 139 6.809 3.202 -1.449 1.00 0.00 C ATOM 213 O LEU A 139 7.520 2.597 -2.252 1.00 0.00 O ATOM 214 CB LEU A 139 4.357 2.717 -1.491 1.00 0.00 C ATOM 215 CG LEU A 139 3.276 1.668 -1.226 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.966 2.067 -1.889 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.730 0.299 -1.716 1.00 0.00 C ATOM 0 H LEU A 139 4.657 3.447 0.848 1.00 0.00 H new ATOM 0 HA LEU A 139 5.875 1.436 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 139 3.960 3.699 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.573 2.732 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 139 3.110 1.611 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.210 1.307 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.633 3.025 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.115 2.155 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.949 -0.435 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.926 0.343 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.641 0.009 -1.192 1.00 0.00 H new ATOM 229 N ALA A 140 6.985 4.480 -1.139 1.00 0.00 N ATOM 230 CA ALA A 140 8.053 5.269 -1.738 1.00 0.00 C ATOM 231 C ALA A 140 9.411 4.716 -1.322 1.00 0.00 C ATOM 232 O ALA A 140 10.358 4.705 -2.108 1.00 0.00 O ATOM 233 CB ALA A 140 7.924 6.730 -1.337 1.00 0.00 C ATOM 0 H ALA A 140 6.402 4.992 -0.477 1.00 0.00 H new ATOM 0 HA ALA A 140 7.969 5.204 -2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.730 7.305 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 140 6.964 7.117 -1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.986 6.816 -0.252 1.00 0.00 H new ATOM 239 N GLU A 141 9.490 4.251 -0.078 1.00 0.00 N ATOM 240 CA GLU A 141 10.722 3.686 0.452 1.00 0.00 C ATOM 241 C GLU A 141 10.981 2.312 -0.152 1.00 0.00 C ATOM 242 O GLU A 141 12.079 2.026 -0.630 1.00 0.00 O ATOM 243 CB GLU A 141 10.646 3.579 1.975 1.00 0.00 C ATOM 244 CG GLU A 141 10.699 4.924 2.684 1.00 0.00 C ATOM 245 CD GLU A 141 11.858 5.026 3.656 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.994 4.685 3.263 1.00 0.00 O ATOM 247 OE2 GLU A 141 11.630 5.446 4.810 1.00 0.00 O ATOM 0 H GLU A 141 8.712 4.256 0.581 1.00 0.00 H new ATOM 0 HA GLU A 141 11.546 4.348 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.722 3.069 2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.469 2.959 2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.781 5.718 1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.764 5.084 3.221 1.00 0.00 H new ATOM 254 N HIS A 142 9.956 1.470 -0.130 1.00 0.00 N ATOM 255 CA HIS A 142 10.057 0.123 -0.679 1.00 0.00 C ATOM 256 C HIS A 142 10.173 0.165 -2.201 1.00 0.00 C ATOM 257 O HIS A 142 10.652 -0.783 -2.822 1.00 0.00 O ATOM 258 CB HIS A 142 8.837 -0.708 -0.275 1.00 0.00 C ATOM 259 CG HIS A 142 8.814 -1.082 1.176 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.350 -2.257 1.661 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.308 -0.433 2.251 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.172 -2.313 2.969 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.544 -1.217 3.352 1.00 0.00 N ATOM 0 H HIS A 142 9.042 1.696 0.263 1.00 0.00 H new ATOM 0 HA HIS A 142 10.956 -0.341 -0.274 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.933 -0.147 -0.510 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.813 -1.617 -0.876 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.812 -2.971 1.098 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.810 0.525 2.243 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.487 -3.119 3.615 1.00 0.00 H new ATOM 272 N ASN A 143 9.728 1.271 -2.796 1.00 0.00 N ATOM 273 CA ASN A 143 9.778 1.436 -4.246 1.00 0.00 C ATOM 274 C ASN A 143 8.799 0.486 -4.931 1.00 0.00 C ATOM 275 O ASN A 143 9.176 -0.274 -5.824 1.00 0.00 O ATOM 276 CB ASN A 143 11.198 1.195 -4.766 1.00 0.00 C ATOM 277 CG ASN A 143 11.580 2.158 -5.872 1.00 0.00 C ATOM 278 OD1 ASN A 143 10.746 2.545 -6.692 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.849 2.553 -5.902 1.00 0.00 N ATOM 0 H ASN A 143 9.329 2.065 -2.296 1.00 0.00 H new ATOM 0 HA ASN A 143 9.489 2.460 -4.481 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.905 1.293 -3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.278 0.172 -5.135 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.164 3.201 -6.624 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.507 2.208 -5.203 1.00 0.00 H new ATOM 286 N LEU A 144 7.541 0.535 -4.506 1.00 0.00 N ATOM 287 CA LEU A 144 6.508 -0.321 -5.078 1.00 0.00 C ATOM 288 C LEU A 144 5.377 0.505 -5.678 1.00 0.00 C ATOM 289 O LEU A 144 5.395 1.735 -5.625 1.00 0.00 O ATOM 290 CB LEU A 144 5.944 -1.265 -4.016 1.00 0.00 C ATOM 291 CG LEU A 144 6.967 -1.800 -3.017 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.268 -2.502 -1.864 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.940 -2.744 -3.708 1.00 0.00 C ATOM 0 H LEU A 144 7.212 1.158 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 144 6.970 -0.907 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.161 -0.742 -3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.472 -2.110 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 144 7.531 -0.959 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.012 -2.877 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.610 -1.798 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.679 -3.335 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.663 -3.117 -2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.391 -3.582 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.464 -2.210 -4.501 1.00 0.00 H new ATOM 305 N ASP A 145 4.394 -0.183 -6.242 1.00 0.00 N ATOM 306 CA ASP A 145 3.245 0.475 -6.851 1.00 0.00 C ATOM 307 C ASP A 145 1.949 0.003 -6.200 1.00 0.00 C ATOM 308 O ASP A 145 1.654 -1.192 -6.180 1.00 0.00 O ATOM 309 CB ASP A 145 3.206 0.199 -8.356 1.00 0.00 C ATOM 310 CG ASP A 145 2.789 1.418 -9.155 1.00 0.00 C ATOM 311 OD1 ASP A 145 2.023 2.246 -8.621 1.00 0.00 O ATOM 312 OD2 ASP A 145 3.230 1.544 -10.318 1.00 0.00 O ATOM 0 H ASP A 145 4.369 -1.202 -6.291 1.00 0.00 H new ATOM 0 HA ASP A 145 3.344 1.549 -6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.190 -0.131 -8.688 1.00 0.00 H new ATOM 0 HB3 ASP A 145 2.512 -0.618 -8.555 1.00 0.00 H new ATOM 317 N ALA A 146 1.180 0.947 -5.666 1.00 0.00 N ATOM 318 CA ALA A 146 -0.084 0.629 -5.009 1.00 0.00 C ATOM 319 C ALA A 146 -0.939 -0.301 -5.865 1.00 0.00 C ATOM 320 O ALA A 146 -1.467 -1.300 -5.377 1.00 0.00 O ATOM 321 CB ALA A 146 -0.846 1.907 -4.693 1.00 0.00 C ATOM 0 H ALA A 146 1.410 1.941 -5.675 1.00 0.00 H new ATOM 0 HA ALA A 146 0.142 0.109 -4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.787 1.658 -4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.247 2.533 -4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.050 2.447 -5.618 1.00 0.00 H new ATOM 327 N SER A 147 -1.071 0.036 -7.143 1.00 0.00 N ATOM 328 CA SER A 147 -1.862 -0.768 -8.069 1.00 0.00 C ATOM 329 C SER A 147 -1.324 -2.194 -8.167 1.00 0.00 C ATOM 330 O SER A 147 -2.034 -3.104 -8.593 1.00 0.00 O ATOM 331 CB SER A 147 -1.872 -0.120 -9.455 1.00 0.00 C ATOM 332 OG SER A 147 -2.618 1.085 -9.450 1.00 0.00 O ATOM 0 H SER A 147 -0.641 0.860 -7.562 1.00 0.00 H new ATOM 0 HA SER A 147 -2.881 -0.815 -7.684 1.00 0.00 H new ATOM 0 HB2 SER A 147 -0.849 0.083 -9.772 1.00 0.00 H new ATOM 0 HB3 SER A 147 -2.299 -0.813 -10.180 1.00 0.00 H new ATOM 0 HG SER A 147 -2.607 1.480 -10.347 1.00 0.00 H new ATOM 338 N ALA A 148 -0.066 -2.384 -7.775 1.00 0.00 N ATOM 339 CA ALA A 148 0.556 -3.701 -7.826 1.00 0.00 C ATOM 340 C ALA A 148 0.333 -4.474 -6.530 1.00 0.00 C ATOM 341 O ALA A 148 0.398 -5.703 -6.511 1.00 0.00 O ATOM 342 CB ALA A 148 2.044 -3.570 -8.115 1.00 0.00 C ATOM 0 H ALA A 148 0.539 -1.644 -7.420 1.00 0.00 H new ATOM 0 HA ALA A 148 0.085 -4.262 -8.633 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.496 -4.561 -8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.186 -3.072 -9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.517 -2.983 -7.328 1.00 0.00 H new ATOM 348 N ILE A 149 0.073 -3.748 -5.446 1.00 0.00 N ATOM 349 CA ILE A 149 -0.155 -4.373 -4.147 1.00 0.00 C ATOM 350 C ILE A 149 -1.629 -4.292 -3.756 1.00 0.00 C ATOM 351 O ILE A 149 -2.417 -3.609 -4.411 1.00 0.00 O ATOM 352 CB ILE A 149 0.708 -3.722 -3.043 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.044 -3.240 -3.624 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.942 -4.705 -1.901 1.00 0.00 C ATOM 355 CD1 ILE A 149 3.010 -2.718 -2.581 1.00 0.00 C ATOM 0 H ILE A 149 0.015 -2.730 -5.441 1.00 0.00 H new ATOM 0 HA ILE A 149 0.135 -5.419 -4.240 1.00 0.00 H new ATOM 0 HB ILE A 149 0.173 -2.858 -2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.514 -4.063 -4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 149 1.850 -2.453 -4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.552 -4.231 -1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.016 -5.001 -1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.458 -5.587 -2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.931 -2.396 -3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.560 -1.873 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.235 -3.509 -1.865 1.00 0.00 H new ATOM 367 N LYS A 150 -1.998 -4.999 -2.691 1.00 0.00 N ATOM 368 CA LYS A 150 -3.380 -5.016 -2.218 1.00 0.00 C ATOM 369 C LYS A 150 -3.927 -3.601 -2.044 1.00 0.00 C ATOM 370 O LYS A 150 -3.207 -2.617 -2.208 1.00 0.00 O ATOM 371 CB LYS A 150 -3.474 -5.781 -0.895 1.00 0.00 C ATOM 372 CG LYS A 150 -4.002 -7.198 -1.051 1.00 0.00 C ATOM 373 CD LYS A 150 -3.819 -8.003 0.226 1.00 0.00 C ATOM 374 CE LYS A 150 -4.853 -7.626 1.276 1.00 0.00 C ATOM 375 NZ LYS A 150 -4.244 -7.473 2.626 1.00 0.00 N ATOM 0 H LYS A 150 -1.358 -5.569 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.986 -5.521 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.487 -5.818 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.123 -5.233 -0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.059 -7.167 -1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.483 -7.693 -1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.898 -9.067 0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -2.818 -7.835 0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.338 -6.693 0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.629 -8.391 1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -4.569 -8.245 3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -3.208 -7.507 2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.529 -6.560 3.034 1.00 0.00 H new ATOM 389 N GLY A 151 -5.212 -3.513 -1.713 1.00 0.00 N ATOM 390 CA GLY A 151 -5.850 -2.222 -1.521 1.00 0.00 C ATOM 391 C GLY A 151 -7.245 -2.356 -0.942 1.00 0.00 C ATOM 392 O GLY A 151 -8.236 -2.120 -1.632 1.00 0.00 O ATOM 0 H GLY A 151 -5.825 -4.316 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.239 -1.611 -0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.903 -1.699 -2.476 1.00 0.00 H new ATOM 396 N THR A 152 -7.322 -2.742 0.328 1.00 0.00 N ATOM 397 CA THR A 152 -8.606 -2.917 0.997 1.00 0.00 C ATOM 398 C THR A 152 -8.804 -1.870 2.092 1.00 0.00 C ATOM 399 O THR A 152 -8.803 -2.190 3.281 1.00 0.00 O ATOM 400 CB THR A 152 -8.707 -4.323 1.593 1.00 0.00 C ATOM 401 OG1 THR A 152 -9.981 -4.531 2.175 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.665 -4.600 2.655 1.00 0.00 C ATOM 0 H THR A 152 -6.511 -2.939 0.914 1.00 0.00 H new ATOM 0 HA THR A 152 -9.392 -2.787 0.254 1.00 0.00 H new ATOM 0 HB THR A 152 -8.539 -5.003 0.758 1.00 0.00 H new ATOM 0 HG1 THR A 152 -10.026 -5.436 2.549 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.793 -5.613 3.035 1.00 0.00 H new ATOM 0 HG22 THR A 152 -6.669 -4.498 2.223 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.781 -3.888 3.473 1.00 0.00 H new ATOM 410 N GLY A 153 -8.978 -0.620 1.680 1.00 0.00 N ATOM 411 CA GLY A 153 -9.180 0.456 2.631 1.00 0.00 C ATOM 412 C GLY A 153 -10.638 0.853 2.748 1.00 0.00 C ATOM 413 O GLY A 153 -11.228 0.778 3.825 1.00 0.00 O ATOM 0 H GLY A 153 -8.983 -0.332 0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.810 0.148 3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.593 1.322 2.326 1.00 0.00 H new ATOM 417 N VAL A 154 -11.215 1.277 1.629 1.00 0.00 N ATOM 418 CA VAL A 154 -12.613 1.689 1.591 1.00 0.00 C ATOM 419 C VAL A 154 -13.189 1.501 0.192 1.00 0.00 C ATOM 420 O VAL A 154 -14.031 2.280 -0.256 1.00 0.00 O ATOM 421 CB VAL A 154 -12.780 3.163 2.010 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.251 3.501 2.204 1.00 0.00 C ATOM 423 CG2 VAL A 154 -11.988 3.454 3.276 1.00 0.00 C ATOM 0 H VAL A 154 -10.733 1.344 0.732 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.153 1.060 2.299 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.388 3.793 1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.348 4.546 2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.788 3.336 1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.671 2.863 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.119 4.500 3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.346 2.815 4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -10.931 3.256 3.098 1.00 0.00 H new ATOM 433 N GLY A 155 -12.724 0.462 -0.492 1.00 0.00 N ATOM 434 CA GLY A 155 -13.196 0.184 -1.836 1.00 0.00 C ATOM 435 C GLY A 155 -12.081 0.233 -2.865 1.00 0.00 C ATOM 436 O GLY A 155 -12.331 0.470 -4.046 1.00 0.00 O ATOM 0 H GLY A 155 -12.027 -0.194 -0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -13.663 -0.801 -1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.966 0.908 -2.104 1.00 0.00 H new ATOM 440 N GLY A 156 -10.848 0.006 -2.417 1.00 0.00 N ATOM 441 CA GLY A 156 -9.714 0.029 -3.322 1.00 0.00 C ATOM 442 C GLY A 156 -8.653 1.032 -2.907 1.00 0.00 C ATOM 443 O GLY A 156 -8.269 1.898 -3.692 1.00 0.00 O ATOM 0 H GLY A 156 -10.616 -0.193 -1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.270 -0.966 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.061 0.269 -4.327 1.00 0.00 H new ATOM 447 N ARG A 157 -8.177 0.914 -1.670 1.00 0.00 N ATOM 448 CA ARG A 157 -7.152 1.817 -1.155 1.00 0.00 C ATOM 449 C ARG A 157 -6.017 1.036 -0.499 1.00 0.00 C ATOM 450 O ARG A 157 -6.252 0.050 0.200 1.00 0.00 O ATOM 451 CB ARG A 157 -7.750 2.799 -0.141 1.00 0.00 C ATOM 452 CG ARG A 157 -9.153 3.275 -0.489 1.00 0.00 C ATOM 453 CD ARG A 157 -9.214 4.788 -0.622 1.00 0.00 C ATOM 454 NE ARG A 157 -10.397 5.225 -1.360 1.00 0.00 N ATOM 455 CZ ARG A 157 -10.518 6.422 -1.928 1.00 0.00 C ATOM 456 NH1 ARG A 157 -9.533 7.307 -1.844 1.00 0.00 N ATOM 457 NH2 ARG A 157 -11.629 6.737 -2.582 1.00 0.00 N ATOM 0 H ARG A 157 -8.484 0.203 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 157 -6.753 2.378 -2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.772 2.323 0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.094 3.665 -0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.473 2.814 -1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -9.850 2.949 0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.218 5.239 0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.318 5.144 -1.130 1.00 0.00 H new ATOM 0 HE ARG A 157 -11.177 4.573 -1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.677 7.071 -1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.632 8.223 -2.282 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -12.390 6.061 -2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.722 7.655 -3.017 1.00 0.00 H new ATOM 471 N LEU A 158 -4.788 1.488 -0.724 1.00 0.00 N ATOM 472 CA LEU A 158 -3.615 0.837 -0.150 1.00 0.00 C ATOM 473 C LEU A 158 -3.618 0.972 1.371 1.00 0.00 C ATOM 474 O LEU A 158 -3.883 2.050 1.905 1.00 0.00 O ATOM 475 CB LEU A 158 -2.337 1.455 -0.727 1.00 0.00 C ATOM 476 CG LEU A 158 -1.131 0.516 -0.805 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.773 -0.014 0.574 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.407 -0.633 -1.765 1.00 0.00 C ATOM 0 H LEU A 158 -4.578 2.303 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.647 -0.222 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.553 1.825 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.065 2.318 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.281 1.083 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 158 0.087 -0.679 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.528 0.820 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.621 -0.563 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.538 -1.289 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.272 -1.198 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.609 -0.236 -2.760 1.00 0.00 H new ATOM 490 N THR A 159 -3.326 -0.123 2.064 1.00 0.00 N ATOM 491 CA THR A 159 -3.301 -0.116 3.523 1.00 0.00 C ATOM 492 C THR A 159 -2.052 -0.815 4.053 1.00 0.00 C ATOM 493 O THR A 159 -1.434 -1.624 3.357 1.00 0.00 O ATOM 494 CB THR A 159 -4.555 -0.792 4.082 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.114 -1.678 3.129 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.635 0.191 4.482 1.00 0.00 C ATOM 0 H THR A 159 -3.104 -1.024 1.641 1.00 0.00 H new ATOM 0 HA THR A 159 -3.280 0.923 3.853 1.00 0.00 H new ATOM 0 HB THR A 159 -4.223 -1.327 4.972 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.802 -1.433 2.233 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.496 -0.353 4.870 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.251 0.860 5.252 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.936 0.775 3.612 1.00 0.00 H new ATOM 504 N ARG A 160 -1.689 -0.504 5.297 1.00 0.00 N ATOM 505 CA ARG A 160 -0.517 -1.106 5.922 1.00 0.00 C ATOM 506 C ARG A 160 -0.620 -2.624 5.889 1.00 0.00 C ATOM 507 O ARG A 160 0.374 -3.322 5.689 1.00 0.00 O ATOM 508 CB ARG A 160 -0.372 -0.619 7.365 1.00 0.00 C ATOM 509 CG ARG A 160 0.147 0.806 7.477 1.00 0.00 C ATOM 510 CD ARG A 160 1.664 0.842 7.586 1.00 0.00 C ATOM 511 NE ARG A 160 2.109 1.567 8.774 1.00 0.00 N ATOM 512 CZ ARG A 160 3.383 1.847 9.038 1.00 0.00 C ATOM 513 NH1 ARG A 160 4.340 1.466 8.200 1.00 0.00 N ATOM 514 NH2 ARG A 160 3.701 2.510 10.142 1.00 0.00 N ATOM 0 H ARG A 160 -2.189 0.159 5.888 1.00 0.00 H new ATOM 0 HA ARG A 160 0.367 -0.803 5.361 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -1.341 -0.684 7.861 1.00 0.00 H new ATOM 0 HB3 ARG A 160 0.305 -1.286 7.899 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -0.170 1.379 6.605 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -0.293 1.286 8.351 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.050 -0.177 7.617 1.00 0.00 H new ATOM 0 HD3 ARG A 160 2.081 1.314 6.696 1.00 0.00 H new ATOM 0 HE ARG A 160 1.402 1.877 9.440 1.00 0.00 H new ATOM 0 HH11 ARG A 160 4.100 0.956 7.350 1.00 0.00 H new ATOM 0 HH12 ARG A 160 5.315 1.683 8.407 1.00 0.00 H new ATOM 0 HH21 ARG A 160 2.969 2.805 10.788 1.00 0.00 H new ATOM 0 HH22 ARG A 160 4.677 2.725 10.345 1.00 0.00 H new ATOM 528 N GLU A 161 -1.836 -3.129 6.065 1.00 0.00 N ATOM 529 CA GLU A 161 -2.075 -4.563 6.032 1.00 0.00 C ATOM 530 C GLU A 161 -1.716 -5.113 4.658 1.00 0.00 C ATOM 531 O GLU A 161 -1.179 -6.214 4.535 1.00 0.00 O ATOM 532 CB GLU A 161 -3.538 -4.872 6.357 1.00 0.00 C ATOM 533 CG GLU A 161 -3.851 -6.359 6.398 1.00 0.00 C ATOM 534 CD GLU A 161 -4.835 -6.717 7.495 1.00 0.00 C ATOM 535 OE1 GLU A 161 -4.422 -6.757 8.673 1.00 0.00 O ATOM 536 OE2 GLU A 161 -6.018 -6.959 7.176 1.00 0.00 O ATOM 0 H GLU A 161 -2.670 -2.565 6.232 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.448 -5.040 6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.789 -4.430 7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -4.175 -4.395 5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -4.258 -6.668 5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.927 -6.917 6.547 1.00 0.00 H new ATOM 543 N ASP A 162 -2.007 -4.326 3.627 1.00 0.00 N ATOM 544 CA ASP A 162 -1.708 -4.719 2.258 1.00 0.00 C ATOM 545 C ASP A 162 -0.204 -4.850 2.059 1.00 0.00 C ATOM 546 O ASP A 162 0.284 -5.873 1.580 1.00 0.00 O ATOM 547 CB ASP A 162 -2.275 -3.692 1.278 1.00 0.00 C ATOM 548 CG ASP A 162 -3.762 -3.468 1.469 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.405 -4.295 2.150 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.285 -2.466 0.939 1.00 0.00 O ATOM 0 H ASP A 162 -2.450 -3.412 3.716 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.173 -5.686 2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.749 -2.746 1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.089 -4.027 0.258 1.00 0.00 H new ATOM 555 N VAL A 163 0.526 -3.807 2.439 1.00 0.00 N ATOM 556 CA VAL A 163 1.978 -3.806 2.309 1.00 0.00 C ATOM 557 C VAL A 163 2.597 -4.947 3.110 1.00 0.00 C ATOM 558 O VAL A 163 3.641 -5.481 2.741 1.00 0.00 O ATOM 559 CB VAL A 163 2.590 -2.472 2.779 1.00 0.00 C ATOM 560 CG1 VAL A 163 4.084 -2.436 2.488 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.884 -1.298 2.118 1.00 0.00 C ATOM 0 H VAL A 163 0.137 -2.953 2.839 1.00 0.00 H new ATOM 0 HA VAL A 163 2.200 -3.941 1.250 1.00 0.00 H new ATOM 0 HB VAL A 163 2.451 -2.391 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.498 -1.486 2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.577 -3.255 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.248 -2.541 1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.330 -0.365 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.989 -1.373 1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.827 -1.314 2.382 1.00 0.00 H new ATOM 571 N GLU A 164 1.943 -5.319 4.208 1.00 0.00 N ATOM 572 CA GLU A 164 2.432 -6.399 5.053 1.00 0.00 C ATOM 573 C GLU A 164 2.335 -7.734 4.318 1.00 0.00 C ATOM 574 O GLU A 164 3.294 -8.505 4.281 1.00 0.00 O ATOM 575 CB GLU A 164 1.647 -6.434 6.373 1.00 0.00 C ATOM 576 CG GLU A 164 0.733 -7.639 6.528 1.00 0.00 C ATOM 577 CD GLU A 164 -0.008 -7.644 7.850 1.00 0.00 C ATOM 578 OE1 GLU A 164 -0.178 -6.556 8.440 1.00 0.00 O ATOM 579 OE2 GLU A 164 -0.420 -8.736 8.295 1.00 0.00 O ATOM 0 H GLU A 164 1.076 -4.889 4.530 1.00 0.00 H new ATOM 0 HA GLU A 164 3.482 -6.220 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 164 2.354 -6.420 7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.048 -5.527 6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 164 0.011 -7.650 5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.324 -8.551 6.444 1.00 0.00 H new ATOM 586 N LYS A 165 1.173 -7.995 3.728 1.00 0.00 N ATOM 587 CA LYS A 165 0.955 -9.233 2.986 1.00 0.00 C ATOM 588 C LYS A 165 1.935 -9.339 1.822 1.00 0.00 C ATOM 589 O LYS A 165 2.496 -10.404 1.565 1.00 0.00 O ATOM 590 CB LYS A 165 -0.482 -9.300 2.467 1.00 0.00 C ATOM 591 CG LYS A 165 -1.532 -9.312 3.568 1.00 0.00 C ATOM 592 CD LYS A 165 -1.249 -10.392 4.600 1.00 0.00 C ATOM 593 CE LYS A 165 -2.374 -10.497 5.616 1.00 0.00 C ATOM 594 NZ LYS A 165 -2.301 -9.419 6.641 1.00 0.00 N ATOM 0 H LYS A 165 0.369 -7.368 3.749 1.00 0.00 H new ATOM 0 HA LYS A 165 1.123 -10.070 3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.663 -8.446 1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.597 -10.197 1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.558 -8.338 4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.517 -9.475 3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -1.119 -11.351 4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -0.313 -10.171 5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.333 -10.444 5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -2.329 -11.469 6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -3.254 -9.227 7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -1.681 -9.721 7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -1.917 -8.554 6.209 1.00 0.00 H new ATOM 608 N TRP A 166 2.139 -8.226 1.124 1.00 0.00 N ATOM 609 CA TRP A 166 3.056 -8.189 -0.008 1.00 0.00 C ATOM 610 C TRP A 166 4.499 -8.315 0.469 1.00 0.00 C ATOM 611 O TRP A 166 5.292 -9.062 -0.103 1.00 0.00 O ATOM 612 CB TRP A 166 2.869 -6.887 -0.792 1.00 0.00 C ATOM 613 CG TRP A 166 3.856 -6.707 -1.905 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.659 -6.971 -3.231 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.196 -6.222 -1.788 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.800 -6.685 -3.942 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.758 -6.224 -3.078 1.00 0.00 C ATOM 618 CE3 TRP A 166 5.975 -5.789 -0.716 1.00 0.00 C ATOM 619 CZ2 TRP A 166 7.064 -5.810 -3.322 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.272 -5.376 -0.958 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.805 -5.391 -2.252 1.00 0.00 C ATOM 0 H TRP A 166 1.680 -7.337 1.324 1.00 0.00 H new ATOM 0 HA TRP A 166 2.835 -9.031 -0.663 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.861 -6.864 -1.205 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.952 -6.045 -0.105 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.742 -7.349 -3.658 1.00 0.00 H new ATOM 0 HE1 TRP A 166 4.915 -6.798 -4.949 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.572 -5.776 0.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.477 -5.819 -4.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.884 -5.036 -0.135 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.823 -5.065 -2.409 1.00 0.00 H new ATOM 632 N LEU A 167 4.829 -7.575 1.522 1.00 0.00 N ATOM 633 CA LEU A 167 6.175 -7.598 2.084 1.00 0.00 C ATOM 634 C LEU A 167 6.532 -8.993 2.583 1.00 0.00 C ATOM 635 O LEU A 167 7.659 -9.456 2.411 1.00 0.00 O ATOM 636 CB LEU A 167 6.287 -6.590 3.232 1.00 0.00 C ATOM 637 CG LEU A 167 6.668 -5.171 2.811 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.449 -4.196 3.959 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.113 -5.125 2.340 1.00 0.00 C ATOM 0 H LEU A 167 4.182 -6.951 2.004 1.00 0.00 H new ATOM 0 HA LEU A 167 6.876 -7.323 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.333 -6.553 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.029 -6.953 3.943 1.00 0.00 H new ATOM 0 HG LEU A 167 6.026 -4.874 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.726 -3.191 3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.399 -4.208 4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.065 -4.490 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.367 -4.107 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.770 -5.442 3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.239 -5.793 1.488 1.00 0.00 H new ATOM 651 N ALA A 168 5.564 -9.655 3.203 1.00 0.00 N ATOM 652 CA ALA A 168 5.772 -11.000 3.730 1.00 0.00 C ATOM 653 C ALA A 168 5.788 -12.033 2.611 1.00 0.00 C ATOM 654 O ALA A 168 6.503 -13.032 2.684 1.00 0.00 O ATOM 655 CB ALA A 168 4.694 -11.339 4.749 1.00 0.00 C ATOM 0 H ALA A 168 4.626 -9.283 3.354 1.00 0.00 H new ATOM 0 HA ALA A 168 6.744 -11.024 4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.861 -12.345 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.733 -10.624 5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.715 -11.291 4.273 1.00 0.00 H new ATOM 661 N LYS A 169 4.994 -11.786 1.574 1.00 0.00 N ATOM 662 CA LYS A 169 4.917 -12.697 0.437 1.00 0.00 C ATOM 663 C LYS A 169 4.586 -11.940 -0.845 1.00 0.00 C ATOM 664 O LYS A 169 3.420 -11.809 -1.217 1.00 0.00 O ATOM 665 CB LYS A 169 3.865 -13.779 0.693 1.00 0.00 C ATOM 666 CG LYS A 169 4.450 -15.088 1.197 1.00 0.00 C ATOM 667 CD LYS A 169 3.559 -16.267 0.844 1.00 0.00 C ATOM 668 CE LYS A 169 4.016 -16.948 -0.437 1.00 0.00 C ATOM 669 NZ LYS A 169 3.635 -18.386 -0.470 1.00 0.00 N ATOM 0 H LYS A 169 4.395 -10.964 1.497 1.00 0.00 H new ATOM 0 HA LYS A 169 5.891 -13.171 0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.144 -13.408 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.317 -13.967 -0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 169 5.440 -15.236 0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 169 4.578 -15.038 2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 169 3.566 -16.987 1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 169 2.530 -15.925 0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 169 3.579 -16.437 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 169 5.098 -16.857 -0.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 3.965 -18.812 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 4.073 -18.880 0.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 2.600 -18.473 -0.408 1.00 0.00 H new ATOM 683 N ALA A 170 5.621 -11.444 -1.517 1.00 0.00 N ATOM 684 CA ALA A 170 5.439 -10.701 -2.758 1.00 0.00 C ATOM 685 C ALA A 170 5.316 -11.644 -3.949 1.00 0.00 C ATOM 686 O ALA A 170 5.185 -12.866 -3.724 1.00 0.00 O ATOM 687 CB ALA A 170 6.594 -9.733 -2.966 1.00 0.00 C ATOM 688 OXT ALA A 170 5.350 -11.154 -5.098 1.00 0.00 O ATOM 0 H ALA A 170 6.593 -11.543 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 170 4.512 -10.133 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 170 6.446 -9.184 -3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.635 -9.031 -2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.530 -10.289 -3.018 1.00 0.00 H new