USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 461 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 Set 1.1: A 112 SER OG : rot 180:sc= 0.367 USER MOD Set 1.2: A 127 TYR OH : rot 180:sc= -0.455 USER MOD Set 1.3: A 131 ASN : amide:sc= -2.88! C(o=-3!,f=-4.5!) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -162:sc= -0.0324 (180deg=-0.302) USER MOD Single : A 96 GLN : amide:sc= 0.391 X(o=0.39,f=-0.014) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 110:sc= -1.52 USER MOD Single : A 114 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.27) USER MOD Single : A 117 LYS NZ :NH3+ -150:sc= -0.0989 (180deg=-0.705) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 161:sc= -0.127 (180deg=-0.811) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -0.059 K(o=-0.059,f=-1.1) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 24.839 1.168 -25.157 1.00 0.00 N ATOM 135 CA PRO A 87 25.777 0.248 -25.862 1.00 0.00 C ATOM 136 C PRO A 87 25.759 0.459 -27.374 1.00 0.00 C ATOM 137 O PRO A 87 24.751 0.882 -27.938 1.00 0.00 O ATOM 138 CB PRO A 87 25.270 -1.144 -25.491 1.00 0.00 C ATOM 139 CG PRO A 87 23.830 -0.965 -25.148 1.00 0.00 C ATOM 140 CD PRO A 87 23.678 0.451 -24.605 1.00 0.00 C ATOM 0 HA PRO A 87 26.814 0.415 -25.569 1.00 0.00 H new ATOM 0 HB2 PRO A 87 25.392 -1.840 -26.321 1.00 0.00 H new ATOM 0 HB3 PRO A 87 25.827 -1.553 -24.648 1.00 0.00 H new ATOM 0 HG2 PRO A 87 23.202 -1.111 -26.027 1.00 0.00 H new ATOM 0 HG3 PRO A 87 23.515 -1.699 -24.406 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.740 0.903 -24.926 1.00 0.00 H new ATOM 0 HD3 PRO A 87 23.682 0.464 -23.515 1.00 0.00 H new ATOM 148 N CYS A 88 26.878 0.157 -28.022 1.00 0.00 N ATOM 149 CA CYS A 88 26.982 0.329 -29.467 1.00 0.00 C ATOM 150 C CYS A 88 26.069 -0.652 -30.193 1.00 0.00 C ATOM 151 O CYS A 88 25.873 -1.781 -29.742 1.00 0.00 O ATOM 152 CB CYS A 88 28.429 0.111 -29.917 1.00 0.00 C ATOM 153 SG CYS A 88 29.473 1.436 -29.258 1.00 0.00 S ATOM 0 H CYS A 88 27.720 -0.205 -27.575 1.00 0.00 H new ATOM 0 HA CYS A 88 26.673 1.345 -29.714 1.00 0.00 H new ATOM 0 HB2 CYS A 88 28.788 -0.857 -29.567 1.00 0.00 H new ATOM 0 HB3 CYS A 88 28.484 0.097 -31.006 1.00 0.00 H new ATOM 0 HG CYS A 88 30.702 1.250 -29.638 1.00 0.00 H new ATOM 159 N GLY A 89 25.512 -0.215 -31.315 1.00 0.00 N ATOM 160 CA GLY A 89 24.623 -1.063 -32.101 1.00 0.00 C ATOM 161 C GLY A 89 23.166 -0.828 -31.717 1.00 0.00 C ATOM 162 O GLY A 89 22.259 -1.075 -32.512 1.00 0.00 O ATOM 0 H GLY A 89 25.659 0.718 -31.701 1.00 0.00 H new ATOM 0 HA2 GLY A 89 24.761 -0.857 -33.162 1.00 0.00 H new ATOM 0 HA3 GLY A 89 24.880 -2.111 -31.944 1.00 0.00 H new ATOM 166 N TRP A 90 22.950 -0.348 -30.499 1.00 0.00 N ATOM 167 CA TRP A 90 21.602 -0.075 -30.018 1.00 0.00 C ATOM 168 C TRP A 90 21.409 1.415 -29.761 1.00 0.00 C ATOM 169 O TRP A 90 22.335 2.098 -29.321 1.00 0.00 O ATOM 170 CB TRP A 90 21.329 -0.859 -28.736 1.00 0.00 C ATOM 171 CG TRP A 90 21.203 -2.314 -29.055 1.00 0.00 C ATOM 172 CD1 TRP A 90 22.119 -3.261 -28.747 1.00 0.00 C ATOM 173 CD2 TRP A 90 20.115 -3.003 -29.738 1.00 0.00 C ATOM 174 NE1 TRP A 90 21.662 -4.487 -29.195 1.00 0.00 N ATOM 175 CE2 TRP A 90 20.432 -4.379 -29.813 1.00 0.00 C ATOM 176 CE3 TRP A 90 18.897 -2.572 -30.291 1.00 0.00 C ATOM 177 CZ2 TRP A 90 19.571 -5.297 -30.417 1.00 0.00 C ATOM 178 CZ3 TRP A 90 18.029 -3.491 -30.902 1.00 0.00 C ATOM 179 CH2 TRP A 90 18.365 -4.851 -30.965 1.00 0.00 C ATOM 0 H TRP A 90 23.689 -0.140 -29.828 1.00 0.00 H new ATOM 0 HA TRP A 90 20.898 -0.390 -30.788 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.138 -0.702 -28.022 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.414 -0.499 -28.265 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.054 -3.088 -28.235 1.00 0.00 H new ATOM 0 HE1 TRP A 90 22.171 -5.364 -29.083 1.00 0.00 H new ATOM 0 HE3 TRP A 90 18.627 -1.527 -30.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 19.835 -6.343 -30.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 17.097 -3.148 -31.326 1.00 0.00 H new ATOM 0 HH2 TRP A 90 17.693 -5.553 -31.436 1.00 0.00 H new ATOM 190 N GLU A 91 20.209 1.912 -30.031 1.00 0.00 N ATOM 191 CA GLU A 91 19.906 3.322 -29.818 1.00 0.00 C ATOM 192 C GLU A 91 18.788 3.481 -28.791 1.00 0.00 C ATOM 193 O GLU A 91 17.986 2.568 -28.589 1.00 0.00 O ATOM 194 CB GLU A 91 19.491 3.977 -31.133 1.00 0.00 C ATOM 195 CG GLU A 91 20.627 3.843 -32.150 1.00 0.00 C ATOM 196 CD GLU A 91 21.842 4.638 -31.682 1.00 0.00 C ATOM 197 OE1 GLU A 91 21.665 5.523 -30.861 1.00 0.00 O ATOM 198 OE2 GLU A 91 22.930 4.350 -32.152 1.00 0.00 O ATOM 0 H GLU A 91 19.432 1.362 -30.397 1.00 0.00 H new ATOM 0 HA GLU A 91 20.804 3.811 -29.441 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.587 3.505 -31.517 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.257 5.029 -30.970 1.00 0.00 H new ATOM 0 HG2 GLU A 91 20.894 2.793 -32.273 1.00 0.00 H new ATOM 0 HG3 GLU A 91 20.299 4.205 -33.124 1.00 0.00 H new ATOM 205 N ARG A 92 18.744 4.641 -28.145 1.00 0.00 N ATOM 206 CA ARG A 92 17.720 4.904 -27.137 1.00 0.00 C ATOM 207 C ARG A 92 16.801 6.034 -27.587 1.00 0.00 C ATOM 208 O ARG A 92 17.255 7.143 -27.870 1.00 0.00 O ATOM 209 CB ARG A 92 18.387 5.282 -25.813 1.00 0.00 C ATOM 210 CG ARG A 92 18.897 4.021 -25.114 1.00 0.00 C ATOM 211 CD ARG A 92 17.783 3.428 -24.249 1.00 0.00 C ATOM 212 NE ARG A 92 17.367 4.394 -23.237 1.00 0.00 N ATOM 213 CZ ARG A 92 18.030 4.521 -22.093 1.00 0.00 C ATOM 214 NH1 ARG A 92 19.073 3.773 -21.857 1.00 0.00 N ATOM 215 NH2 ARG A 92 17.638 5.393 -21.205 1.00 0.00 N ATOM 0 H ARG A 92 19.398 5.408 -28.298 1.00 0.00 H new ATOM 0 HA ARG A 92 17.124 4.002 -27.003 1.00 0.00 H new ATOM 0 HB2 ARG A 92 19.214 5.969 -25.994 1.00 0.00 H new ATOM 0 HB3 ARG A 92 17.675 5.802 -25.172 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.225 3.290 -25.853 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.763 4.260 -24.496 1.00 0.00 H new ATOM 0 HD2 ARG A 92 16.933 3.155 -24.874 1.00 0.00 H new ATOM 0 HD3 ARG A 92 18.132 2.514 -23.769 1.00 0.00 H new ATOM 0 HE ARG A 92 16.552 4.982 -23.411 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.379 3.091 -22.551 1.00 0.00 H new ATOM 0 HH12 ARG A 92 19.582 3.870 -20.979 1.00 0.00 H new ATOM 0 HH21 ARG A 92 16.822 5.977 -21.389 1.00 0.00 H new ATOM 0 HH22 ARG A 92 18.147 5.490 -20.327 1.00 0.00 H new ATOM 229 N VAL A 93 15.508 5.744 -27.653 1.00 0.00 N ATOM 230 CA VAL A 93 14.528 6.739 -28.069 1.00 0.00 C ATOM 231 C VAL A 93 13.393 6.839 -27.057 1.00 0.00 C ATOM 232 O VAL A 93 12.814 5.827 -26.661 1.00 0.00 O ATOM 233 CB VAL A 93 13.959 6.370 -29.442 1.00 0.00 C ATOM 234 CG1 VAL A 93 12.813 7.322 -29.791 1.00 0.00 C ATOM 235 CG2 VAL A 93 15.059 6.494 -30.499 1.00 0.00 C ATOM 0 H VAL A 93 15.114 4.831 -27.425 1.00 0.00 H new ATOM 0 HA VAL A 93 15.028 7.706 -28.129 1.00 0.00 H new ATOM 0 HB VAL A 93 13.589 5.345 -29.418 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.407 7.060 -30.768 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.029 7.239 -29.038 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.185 8.346 -29.815 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.655 6.232 -31.477 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.428 7.520 -30.522 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.879 5.819 -30.252 1.00 0.00 H new ATOM 245 N VAL A 94 13.081 8.065 -26.641 1.00 0.00 N ATOM 246 CA VAL A 94 12.005 8.279 -25.682 1.00 0.00 C ATOM 247 C VAL A 94 10.984 9.267 -26.243 1.00 0.00 C ATOM 248 O VAL A 94 11.341 10.355 -26.695 1.00 0.00 O ATOM 249 CB VAL A 94 12.575 8.822 -24.372 1.00 0.00 C ATOM 250 CG1 VAL A 94 13.610 7.840 -23.821 1.00 0.00 C ATOM 251 CG2 VAL A 94 13.243 10.174 -24.627 1.00 0.00 C ATOM 0 H VAL A 94 13.553 8.915 -26.950 1.00 0.00 H new ATOM 0 HA VAL A 94 11.511 7.326 -25.494 1.00 0.00 H new ATOM 0 HB VAL A 94 11.768 8.945 -23.649 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.017 8.227 -22.887 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.136 6.876 -23.639 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.416 7.717 -24.544 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.649 10.561 -23.693 1.00 0.00 H new ATOM 0 HG22 VAL A 94 14.049 10.051 -25.350 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.507 10.875 -25.020 1.00 0.00 H new ATOM 261 N LYS A 95 9.712 8.880 -26.203 1.00 0.00 N ATOM 262 CA LYS A 95 8.648 9.739 -26.708 1.00 0.00 C ATOM 263 C LYS A 95 7.538 9.883 -25.673 1.00 0.00 C ATOM 264 O LYS A 95 7.058 8.893 -25.121 1.00 0.00 O ATOM 265 CB LYS A 95 8.070 9.150 -27.999 1.00 0.00 C ATOM 266 CG LYS A 95 9.102 9.268 -29.122 1.00 0.00 C ATOM 267 CD LYS A 95 8.561 8.600 -30.387 1.00 0.00 C ATOM 268 CE LYS A 95 9.581 8.742 -31.519 1.00 0.00 C ATOM 269 NZ LYS A 95 9.660 10.170 -31.936 1.00 0.00 N ATOM 0 H LYS A 95 9.396 7.985 -25.829 1.00 0.00 H new ATOM 0 HA LYS A 95 9.068 10.724 -26.913 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.802 8.105 -27.846 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.156 9.677 -28.274 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.323 10.317 -29.318 1.00 0.00 H new ATOM 0 HG3 LYS A 95 10.038 8.797 -28.821 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.359 7.546 -30.196 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.615 9.058 -30.676 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.559 8.393 -31.188 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.291 8.120 -32.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.100 10.233 -32.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.702 10.574 -31.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.233 10.701 -31.249 1.00 0.00 H new ATOM 283 N GLN A 96 7.129 11.127 -25.416 1.00 0.00 N ATOM 284 CA GLN A 96 6.074 11.384 -24.451 1.00 0.00 C ATOM 285 C GLN A 96 4.712 11.401 -25.144 1.00 0.00 C ATOM 286 O GLN A 96 4.492 12.167 -26.081 1.00 0.00 O ATOM 287 CB GLN A 96 6.311 12.731 -23.763 1.00 0.00 C ATOM 288 CG GLN A 96 7.578 12.649 -22.908 1.00 0.00 C ATOM 289 CD GLN A 96 7.822 13.984 -22.211 1.00 0.00 C ATOM 290 OE1 GLN A 96 7.913 15.021 -22.866 1.00 0.00 O ATOM 291 NE2 GLN A 96 7.934 14.017 -20.910 1.00 0.00 N ATOM 0 H GLN A 96 7.512 11.961 -25.861 1.00 0.00 H new ATOM 0 HA GLN A 96 6.085 10.588 -23.706 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.412 13.520 -24.508 1.00 0.00 H new ATOM 0 HB3 GLN A 96 5.455 12.989 -23.140 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.477 11.856 -22.168 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.433 12.394 -23.534 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.858 13.155 -20.370 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.097 14.904 -20.435 1.00 0.00 H new ATOM 300 N ARG A 97 3.802 10.546 -24.676 1.00 0.00 N ATOM 301 CA ARG A 97 2.470 10.476 -25.253 1.00 0.00 C ATOM 302 C ARG A 97 1.592 11.600 -24.716 1.00 0.00 C ATOM 303 O ARG A 97 1.548 11.843 -23.510 1.00 0.00 O ATOM 304 CB ARG A 97 1.829 9.127 -24.926 1.00 0.00 C ATOM 305 CG ARG A 97 2.408 8.049 -25.844 1.00 0.00 C ATOM 306 CD ARG A 97 1.672 6.729 -25.609 1.00 0.00 C ATOM 307 NE ARG A 97 2.071 6.148 -24.334 1.00 0.00 N ATOM 308 CZ ARG A 97 1.247 5.356 -23.651 1.00 0.00 C ATOM 309 NH1 ARG A 97 0.059 5.094 -24.119 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.630 4.848 -22.512 1.00 0.00 N ATOM 0 H ARG A 97 3.966 9.899 -23.905 1.00 0.00 H new ATOM 0 HA ARG A 97 2.558 10.584 -26.334 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.013 8.868 -23.883 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.748 9.186 -25.054 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.309 8.352 -26.886 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.473 7.924 -25.649 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.595 6.898 -25.618 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.892 6.033 -26.418 1.00 0.00 H new ATOM 0 HE ARG A 97 2.997 6.351 -23.958 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.239 5.496 -25.008 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.573 4.487 -23.596 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.559 5.058 -22.147 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.001 4.241 -21.987 1.00 0.00 H new ATOM 324 N LEU A 98 0.901 12.290 -25.616 1.00 0.00 N ATOM 325 CA LEU A 98 0.026 13.387 -25.226 1.00 0.00 C ATOM 326 C LEU A 98 -1.426 13.058 -25.544 1.00 0.00 C ATOM 327 O LEU A 98 -1.872 13.219 -26.680 1.00 0.00 O ATOM 328 CB LEU A 98 0.435 14.672 -25.949 1.00 0.00 C ATOM 329 CG LEU A 98 1.602 15.327 -25.214 1.00 0.00 C ATOM 330 CD1 LEU A 98 1.144 15.765 -23.817 1.00 0.00 C ATOM 331 CD2 LEU A 98 2.753 14.330 -25.080 1.00 0.00 C ATOM 0 H LEU A 98 0.930 12.109 -26.619 1.00 0.00 H new ATOM 0 HA LEU A 98 0.123 13.534 -24.150 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.720 14.447 -26.977 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.410 15.359 -25.995 1.00 0.00 H new ATOM 0 HG LEU A 98 1.940 16.196 -25.778 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.976 16.233 -23.291 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.326 16.479 -23.910 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.804 14.895 -23.256 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.584 14.802 -24.555 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.416 13.459 -24.518 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.081 14.018 -26.071 1.00 0.00 H new ATOM 343 N PHE A 99 -2.157 12.601 -24.538 1.00 0.00 N ATOM 344 CA PHE A 99 -3.564 12.255 -24.722 1.00 0.00 C ATOM 345 C PHE A 99 -4.422 12.871 -23.621 1.00 0.00 C ATOM 346 O PHE A 99 -4.784 14.045 -23.688 1.00 0.00 O ATOM 347 CB PHE A 99 -3.733 10.734 -24.710 1.00 0.00 C ATOM 348 CG PHE A 99 -3.183 10.154 -25.992 1.00 0.00 C ATOM 349 CD1 PHE A 99 -3.805 10.445 -27.212 1.00 0.00 C ATOM 350 CD2 PHE A 99 -2.051 9.332 -25.961 1.00 0.00 C ATOM 351 CE1 PHE A 99 -3.295 9.909 -28.401 1.00 0.00 C ATOM 352 CE2 PHE A 99 -1.543 8.797 -27.150 1.00 0.00 C ATOM 353 CZ PHE A 99 -2.165 9.085 -28.371 1.00 0.00 C ATOM 0 H PHE A 99 -1.805 12.461 -23.591 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.890 12.652 -25.683 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.213 10.307 -23.853 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.787 10.476 -24.604 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.677 11.082 -27.236 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.570 9.111 -25.020 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.775 10.132 -29.342 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.670 8.161 -27.126 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.773 8.671 -29.288 1.00 0.00 H new ATOM 363 N GLY A 100 -4.743 12.070 -22.609 1.00 0.00 N ATOM 364 CA GLY A 100 -5.558 12.547 -21.501 1.00 0.00 C ATOM 365 C GLY A 100 -5.395 11.651 -20.277 1.00 0.00 C ATOM 366 O GLY A 100 -4.762 12.036 -19.294 1.00 0.00 O ATOM 0 H GLY A 100 -4.453 11.095 -22.535 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.273 13.568 -21.249 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.606 12.573 -21.800 1.00 0.00 H new ATOM 370 N LYS A 101 -5.971 10.456 -20.346 1.00 0.00 N ATOM 371 CA LYS A 101 -5.890 9.518 -19.234 1.00 0.00 C ATOM 372 C LYS A 101 -4.436 9.153 -18.945 1.00 0.00 C ATOM 373 O LYS A 101 -4.015 9.120 -17.787 1.00 0.00 O ATOM 374 CB LYS A 101 -6.678 8.247 -19.565 1.00 0.00 C ATOM 375 CG LYS A 101 -6.745 7.350 -18.327 1.00 0.00 C ATOM 376 CD LYS A 101 -6.603 5.886 -18.746 1.00 0.00 C ATOM 377 CE LYS A 101 -6.591 4.996 -17.504 1.00 0.00 C ATOM 378 NZ LYS A 101 -7.993 4.706 -17.089 1.00 0.00 N ATOM 0 H LYS A 101 -6.495 10.116 -21.153 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.317 9.993 -18.351 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.684 8.506 -19.894 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.201 7.714 -20.387 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -5.952 7.617 -17.628 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.691 7.500 -17.808 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.427 5.603 -19.401 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.683 5.747 -19.314 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.063 4.066 -17.715 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.055 5.491 -16.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.987 4.100 -16.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.482 5.598 -16.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.490 4.217 -17.861 1.00 0.00 H new ATOM 392 N THR A 102 -3.678 8.883 -20.000 1.00 0.00 N ATOM 393 CA THR A 102 -2.274 8.516 -19.844 1.00 0.00 C ATOM 394 C THR A 102 -1.374 9.718 -20.104 1.00 0.00 C ATOM 395 O THR A 102 -0.214 9.733 -19.690 1.00 0.00 O ATOM 396 CB THR A 102 -1.916 7.393 -20.821 1.00 0.00 C ATOM 397 OG1 THR A 102 -2.056 7.864 -22.154 1.00 0.00 O ATOM 398 CG2 THR A 102 -2.853 6.203 -20.598 1.00 0.00 C ATOM 0 H THR A 102 -4.007 8.910 -20.965 1.00 0.00 H new ATOM 0 HA THR A 102 -2.120 8.173 -18.821 1.00 0.00 H new ATOM 0 HB THR A 102 -0.886 7.079 -20.653 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.825 7.146 -22.780 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.598 5.404 -21.294 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.745 5.842 -19.575 1.00 0.00 H new ATOM 0 HG23 THR A 102 -3.884 6.515 -20.766 1.00 0.00 H new ATOM 406 N ALA A 103 -1.919 10.726 -20.779 1.00 0.00 N ATOM 407 CA ALA A 103 -1.155 11.930 -21.083 1.00 0.00 C ATOM 408 C ALA A 103 -0.094 12.176 -20.014 1.00 0.00 C ATOM 409 O ALA A 103 -0.380 12.127 -18.817 1.00 0.00 O ATOM 410 CB ALA A 103 -2.095 13.137 -21.150 1.00 0.00 C ATOM 0 H ALA A 103 -2.879 10.733 -21.123 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.663 11.792 -22.046 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.519 14.034 -21.377 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.839 12.976 -21.930 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.597 13.261 -20.190 1.00 0.00 H new ATOM 416 N GLY A 104 1.135 12.429 -20.455 1.00 0.00 N ATOM 417 CA GLY A 104 2.233 12.670 -19.529 1.00 0.00 C ATOM 418 C GLY A 104 3.012 11.386 -19.259 1.00 0.00 C ATOM 419 O GLY A 104 4.020 11.396 -18.555 1.00 0.00 O ATOM 0 H GLY A 104 1.393 12.472 -21.441 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.902 13.426 -19.941 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.843 13.067 -18.592 1.00 0.00 H new ATOM 423 N ARG A 105 2.536 10.282 -19.825 1.00 0.00 N ATOM 424 CA ARG A 105 3.199 8.994 -19.649 1.00 0.00 C ATOM 425 C ARG A 105 4.553 8.988 -20.350 1.00 0.00 C ATOM 426 O ARG A 105 4.820 9.826 -21.211 1.00 0.00 O ATOM 427 CB ARG A 105 2.326 7.873 -20.205 1.00 0.00 C ATOM 428 CG ARG A 105 1.737 7.057 -19.052 1.00 0.00 C ATOM 429 CD ARG A 105 2.854 6.265 -18.366 1.00 0.00 C ATOM 430 NE ARG A 105 3.351 6.994 -17.205 1.00 0.00 N ATOM 431 CZ ARG A 105 2.602 7.147 -16.118 1.00 0.00 C ATOM 432 NH1 ARG A 105 1.401 6.640 -16.077 1.00 0.00 N ATOM 433 NH2 ARG A 105 3.069 7.804 -15.091 1.00 0.00 N ATOM 0 H ARG A 105 1.698 10.252 -20.406 1.00 0.00 H new ATOM 0 HA ARG A 105 3.355 8.831 -18.583 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.524 8.291 -20.814 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.917 7.228 -20.855 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.252 7.719 -18.334 1.00 0.00 H new ATOM 0 HG3 ARG A 105 0.972 6.377 -19.427 1.00 0.00 H new ATOM 0 HD2 ARG A 105 2.481 5.288 -18.058 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.668 6.088 -19.069 1.00 0.00 H new ATOM 0 HE ARG A 105 4.289 7.393 -17.228 1.00 0.00 H new ATOM 0 HH11 ARG A 105 1.037 6.126 -16.879 1.00 0.00 H new ATOM 0 HH12 ARG A 105 0.826 6.757 -15.243 1.00 0.00 H new ATOM 0 HH21 ARG A 105 4.009 8.200 -15.123 1.00 0.00 H new ATOM 0 HH22 ARG A 105 2.494 7.922 -14.257 1.00 0.00 H new ATOM 447 N PHE A 106 5.403 8.035 -19.978 1.00 0.00 N ATOM 448 CA PHE A 106 6.729 7.933 -20.577 1.00 0.00 C ATOM 449 C PHE A 106 6.859 6.641 -21.376 1.00 0.00 C ATOM 450 O PHE A 106 6.582 5.555 -20.866 1.00 0.00 O ATOM 451 CB PHE A 106 7.797 7.966 -19.481 1.00 0.00 C ATOM 452 CG PHE A 106 7.745 9.297 -18.768 1.00 0.00 C ATOM 453 CD1 PHE A 106 8.485 10.382 -19.255 1.00 0.00 C ATOM 454 CD2 PHE A 106 6.959 9.445 -17.619 1.00 0.00 C ATOM 455 CE1 PHE A 106 8.436 11.615 -18.593 1.00 0.00 C ATOM 456 CE2 PHE A 106 6.911 10.677 -16.958 1.00 0.00 C ATOM 457 CZ PHE A 106 7.650 11.762 -17.444 1.00 0.00 C ATOM 0 H PHE A 106 5.200 7.328 -19.271 1.00 0.00 H new ATOM 0 HA PHE A 106 6.870 8.778 -21.251 1.00 0.00 H new ATOM 0 HB2 PHE A 106 7.631 7.155 -18.772 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.785 7.812 -19.916 1.00 0.00 H new ATOM 0 HD1 PHE A 106 9.093 10.268 -20.140 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.390 8.608 -17.243 1.00 0.00 H new ATOM 0 HE1 PHE A 106 9.005 12.453 -18.969 1.00 0.00 H new ATOM 0 HE2 PHE A 106 6.304 10.791 -16.072 1.00 0.00 H new ATOM 0 HZ PHE A 106 7.614 12.713 -16.933 1.00 0.00 H new ATOM 467 N ASP A 107 7.282 6.767 -22.633 1.00 0.00 N ATOM 468 CA ASP A 107 7.444 5.601 -23.492 1.00 0.00 C ATOM 469 C ASP A 107 8.841 5.582 -24.103 1.00 0.00 C ATOM 470 O ASP A 107 9.287 6.568 -24.691 1.00 0.00 O ATOM 471 CB ASP A 107 6.397 5.624 -24.606 1.00 0.00 C ATOM 472 CG ASP A 107 5.011 5.859 -24.012 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.649 7.011 -23.846 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.334 4.883 -23.736 1.00 0.00 O ATOM 0 H ASP A 107 7.516 7.657 -23.074 1.00 0.00 H new ATOM 0 HA ASP A 107 7.310 4.703 -22.888 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.633 6.411 -25.323 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.413 4.680 -25.152 1.00 0.00 H new ATOM 479 N VAL A 108 9.530 4.452 -23.959 1.00 0.00 N ATOM 480 CA VAL A 108 10.878 4.322 -24.493 1.00 0.00 C ATOM 481 C VAL A 108 11.081 2.946 -25.115 1.00 0.00 C ATOM 482 O VAL A 108 10.423 1.977 -24.732 1.00 0.00 O ATOM 483 CB VAL A 108 11.901 4.527 -23.369 1.00 0.00 C ATOM 484 CG1 VAL A 108 11.406 5.619 -22.420 1.00 0.00 C ATOM 485 CG2 VAL A 108 12.078 3.220 -22.595 1.00 0.00 C ATOM 0 H VAL A 108 9.179 3.622 -23.481 1.00 0.00 H new ATOM 0 HA VAL A 108 11.018 5.080 -25.264 1.00 0.00 H new ATOM 0 HB VAL A 108 12.857 4.826 -23.799 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.133 5.764 -21.621 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.281 6.551 -22.971 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.450 5.321 -21.990 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.805 3.366 -21.796 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.122 2.919 -22.165 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.433 2.442 -23.271 1.00 0.00 H new ATOM 495 N TYR A 109 11.990 2.865 -26.076 1.00 0.00 N ATOM 496 CA TYR A 109 12.283 1.599 -26.743 1.00 0.00 C ATOM 497 C TYR A 109 13.680 1.622 -27.353 1.00 0.00 C ATOM 498 O TYR A 109 14.305 2.678 -27.452 1.00 0.00 O ATOM 499 CB TYR A 109 11.244 1.319 -27.820 1.00 0.00 C ATOM 500 CG TYR A 109 10.994 2.580 -28.612 1.00 0.00 C ATOM 501 CD1 TYR A 109 11.784 2.878 -29.727 1.00 0.00 C ATOM 502 CD2 TYR A 109 9.968 3.452 -28.226 1.00 0.00 C ATOM 503 CE1 TYR A 109 11.549 4.048 -30.460 1.00 0.00 C ATOM 504 CE2 TYR A 109 9.733 4.623 -28.958 1.00 0.00 C ATOM 505 CZ TYR A 109 10.524 4.921 -30.075 1.00 0.00 C ATOM 506 OH TYR A 109 10.293 6.074 -30.796 1.00 0.00 O ATOM 0 H TYR A 109 12.537 3.657 -26.413 1.00 0.00 H new ATOM 0 HA TYR A 109 12.245 0.802 -26.000 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.592 0.524 -28.480 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.316 0.972 -27.365 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.576 2.206 -30.023 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.359 3.222 -27.365 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.158 4.277 -31.322 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.942 5.296 -28.661 1.00 0.00 H new ATOM 0 HH TYR A 109 9.445 5.992 -31.281 1.00 0.00 H new ATOM 516 N PHE A 110 14.160 0.453 -27.773 1.00 0.00 N ATOM 517 CA PHE A 110 15.486 0.355 -28.370 1.00 0.00 C ATOM 518 C PHE A 110 15.388 -0.011 -29.843 1.00 0.00 C ATOM 519 O PHE A 110 14.453 -0.695 -30.262 1.00 0.00 O ATOM 520 CB PHE A 110 16.306 -0.707 -27.630 1.00 0.00 C ATOM 521 CG PHE A 110 15.453 -1.931 -27.393 1.00 0.00 C ATOM 522 CD1 PHE A 110 14.438 -1.898 -26.428 1.00 0.00 C ATOM 523 CD2 PHE A 110 15.673 -3.095 -28.139 1.00 0.00 C ATOM 524 CE1 PHE A 110 13.643 -3.030 -26.209 1.00 0.00 C ATOM 525 CE2 PHE A 110 14.880 -4.228 -27.916 1.00 0.00 C ATOM 526 CZ PHE A 110 13.866 -4.196 -26.952 1.00 0.00 C ATOM 0 H PHE A 110 13.654 -0.431 -27.711 1.00 0.00 H new ATOM 0 HA PHE A 110 15.977 1.324 -28.285 1.00 0.00 H new ATOM 0 HB2 PHE A 110 17.187 -0.973 -28.214 1.00 0.00 H new ATOM 0 HB3 PHE A 110 16.662 -0.309 -26.679 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.269 -1.000 -25.853 1.00 0.00 H new ATOM 0 HD2 PHE A 110 16.453 -3.119 -28.885 1.00 0.00 H new ATOM 0 HE1 PHE A 110 12.858 -3.004 -25.467 1.00 0.00 H new ATOM 0 HE2 PHE A 110 15.051 -5.127 -28.489 1.00 0.00 H new ATOM 0 HZ PHE A 110 13.256 -5.070 -26.781 1.00 0.00 H new ATOM 536 N ILE A 111 16.354 0.455 -30.629 1.00 0.00 N ATOM 537 CA ILE A 111 16.359 0.178 -32.061 1.00 0.00 C ATOM 538 C ILE A 111 17.654 -0.520 -32.466 1.00 0.00 C ATOM 539 O ILE A 111 18.749 -0.064 -32.130 1.00 0.00 O ATOM 540 CB ILE A 111 16.217 1.483 -32.843 1.00 0.00 C ATOM 541 CG1 ILE A 111 14.936 2.201 -32.407 1.00 0.00 C ATOM 542 CG2 ILE A 111 16.136 1.173 -34.340 1.00 0.00 C ATOM 543 CD1 ILE A 111 14.907 3.605 -33.013 1.00 0.00 C ATOM 0 H ILE A 111 17.137 1.021 -30.302 1.00 0.00 H new ATOM 0 HA ILE A 111 15.518 -0.477 -32.290 1.00 0.00 H new ATOM 0 HB ILE A 111 17.080 2.120 -32.646 1.00 0.00 H new ATOM 0 HG12 ILE A 111 14.062 1.636 -32.730 1.00 0.00 H new ATOM 0 HG13 ILE A 111 14.893 2.262 -31.320 1.00 0.00 H new ATOM 0 HG21 ILE A 111 16.035 2.103 -34.899 1.00 0.00 H new ATOM 0 HG22 ILE A 111 17.044 0.658 -34.654 1.00 0.00 H new ATOM 0 HG23 ILE A 111 15.272 0.537 -34.534 1.00 0.00 H new ATOM 0 HD11 ILE A 111 13.996 4.116 -32.703 1.00 0.00 H new ATOM 0 HD12 ILE A 111 15.774 4.168 -32.668 1.00 0.00 H new ATOM 0 HD13 ILE A 111 14.930 3.533 -34.100 1.00 0.00 H new ATOM 555 N SER A 112 17.523 -1.626 -33.185 1.00 0.00 N ATOM 556 CA SER A 112 18.690 -2.384 -33.626 1.00 0.00 C ATOM 557 C SER A 112 19.308 -1.739 -34.865 1.00 0.00 C ATOM 558 O SER A 112 18.723 -0.843 -35.470 1.00 0.00 O ATOM 559 CB SER A 112 18.293 -3.824 -33.945 1.00 0.00 C ATOM 560 OG SER A 112 18.267 -4.005 -35.356 1.00 0.00 O ATOM 0 H SER A 112 16.627 -2.018 -33.475 1.00 0.00 H new ATOM 0 HA SER A 112 19.425 -2.383 -32.821 1.00 0.00 H new ATOM 0 HB2 SER A 112 19.001 -4.517 -33.491 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.314 -4.046 -33.521 1.00 0.00 H new ATOM 0 HG SER A 112 18.014 -4.929 -35.563 1.00 0.00 H new ATOM 566 N PRO A 113 20.475 -2.182 -35.241 1.00 0.00 N ATOM 567 CA PRO A 113 21.199 -1.641 -36.428 1.00 0.00 C ATOM 568 C PRO A 113 20.379 -1.766 -37.709 1.00 0.00 C ATOM 569 O PRO A 113 20.529 -0.967 -38.634 1.00 0.00 O ATOM 570 CB PRO A 113 22.464 -2.505 -36.507 1.00 0.00 C ATOM 571 CG PRO A 113 22.637 -3.080 -35.141 1.00 0.00 C ATOM 572 CD PRO A 113 21.231 -3.252 -34.575 1.00 0.00 C ATOM 0 HA PRO A 113 21.408 -0.576 -36.327 1.00 0.00 H new ATOM 0 HB2 PRO A 113 22.356 -3.292 -37.254 1.00 0.00 H new ATOM 0 HB3 PRO A 113 23.330 -1.909 -36.795 1.00 0.00 H new ATOM 0 HG2 PRO A 113 23.160 -4.035 -35.183 1.00 0.00 H new ATOM 0 HG3 PRO A 113 23.232 -2.418 -34.512 1.00 0.00 H new ATOM 0 HD2 PRO A 113 20.822 -4.237 -34.802 1.00 0.00 H new ATOM 0 HD3 PRO A 113 21.216 -3.142 -33.491 1.00 0.00 H new ATOM 580 N GLN A 114 19.510 -2.770 -37.755 1.00 0.00 N ATOM 581 CA GLN A 114 18.680 -2.994 -38.934 1.00 0.00 C ATOM 582 C GLN A 114 17.573 -1.950 -39.016 1.00 0.00 C ATOM 583 O GLN A 114 16.835 -1.890 -39.999 1.00 0.00 O ATOM 584 CB GLN A 114 18.058 -4.393 -38.871 1.00 0.00 C ATOM 585 CG GLN A 114 19.166 -5.448 -38.883 1.00 0.00 C ATOM 586 CD GLN A 114 19.951 -5.370 -40.188 1.00 0.00 C ATOM 587 OE1 GLN A 114 19.362 -5.418 -41.269 1.00 0.00 O ATOM 588 NE2 GLN A 114 21.249 -5.252 -40.153 1.00 0.00 N ATOM 0 H GLN A 114 19.362 -3.436 -36.997 1.00 0.00 H new ATOM 0 HA GLN A 114 19.308 -2.911 -39.821 1.00 0.00 H new ATOM 0 HB2 GLN A 114 17.456 -4.494 -37.968 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.390 -4.543 -39.719 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.836 -5.293 -38.037 1.00 0.00 H new ATOM 0 HG3 GLN A 114 18.733 -6.442 -38.769 1.00 0.00 H new ATOM 0 HE21 GLN A 114 21.734 -5.213 -39.256 1.00 0.00 H new ATOM 0 HE22 GLN A 114 21.780 -5.199 -41.022 1.00 0.00 H new ATOM 597 N GLY A 115 17.469 -1.123 -37.981 1.00 0.00 N ATOM 598 CA GLY A 115 16.449 -0.081 -37.948 1.00 0.00 C ATOM 599 C GLY A 115 15.154 -0.603 -37.335 1.00 0.00 C ATOM 600 O GLY A 115 14.171 0.128 -37.219 1.00 0.00 O ATOM 0 H GLY A 115 18.073 -1.153 -37.160 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.812 0.770 -37.371 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.258 0.278 -38.959 1.00 0.00 H new ATOM 604 N LEU A 116 15.162 -1.874 -36.942 1.00 0.00 N ATOM 605 CA LEU A 116 13.979 -2.483 -36.341 1.00 0.00 C ATOM 606 C LEU A 116 13.835 -2.040 -34.888 1.00 0.00 C ATOM 607 O LEU A 116 14.819 -1.960 -34.152 1.00 0.00 O ATOM 608 CB LEU A 116 14.091 -4.007 -36.403 1.00 0.00 C ATOM 609 CG LEU A 116 14.277 -4.445 -37.857 1.00 0.00 C ATOM 610 CD1 LEU A 116 14.438 -5.965 -37.916 1.00 0.00 C ATOM 611 CD2 LEU A 116 13.053 -4.031 -38.676 1.00 0.00 C ATOM 0 H LEU A 116 15.965 -2.497 -37.027 1.00 0.00 H new ATOM 0 HA LEU A 116 13.099 -2.161 -36.898 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.933 -4.345 -35.799 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.195 -4.466 -35.985 1.00 0.00 H new ATOM 0 HG LEU A 116 15.167 -3.969 -38.268 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.570 -6.277 -38.952 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.310 -6.261 -37.333 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.548 -6.441 -37.505 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.186 -4.343 -39.712 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.162 -4.506 -38.265 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.937 -2.948 -38.635 1.00 0.00 H new ATOM 623 N LYS A 117 12.602 -1.757 -34.483 1.00 0.00 N ATOM 624 CA LYS A 117 12.341 -1.319 -33.116 1.00 0.00 C ATOM 625 C LYS A 117 11.555 -2.381 -32.353 1.00 0.00 C ATOM 626 O LYS A 117 10.781 -3.136 -32.941 1.00 0.00 O ATOM 627 CB LYS A 117 11.546 -0.010 -33.129 1.00 0.00 C ATOM 628 CG LYS A 117 10.241 -0.212 -33.902 1.00 0.00 C ATOM 629 CD LYS A 117 9.447 1.097 -33.915 1.00 0.00 C ATOM 630 CE LYS A 117 8.524 1.147 -32.697 1.00 0.00 C ATOM 631 NZ LYS A 117 7.448 0.127 -32.847 1.00 0.00 N ATOM 0 H LYS A 117 11.774 -1.822 -35.075 1.00 0.00 H new ATOM 0 HA LYS A 117 13.298 -1.161 -32.618 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.331 0.307 -32.109 1.00 0.00 H new ATOM 0 HB3 LYS A 117 12.136 0.781 -33.591 1.00 0.00 H new ATOM 0 HG2 LYS A 117 10.456 -0.530 -34.922 1.00 0.00 H new ATOM 0 HG3 LYS A 117 9.651 -1.003 -33.440 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.128 1.948 -33.903 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.861 1.170 -34.831 1.00 0.00 H new ATOM 0 HE2 LYS A 117 9.094 0.959 -31.787 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.087 2.141 -32.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.589 0.455 -32.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 7.243 -0.015 -33.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 7.761 -0.772 -32.428 1.00 0.00 H new ATOM 645 N PHE A 118 11.764 -2.437 -31.041 1.00 0.00 N ATOM 646 CA PHE A 118 11.069 -3.409 -30.206 1.00 0.00 C ATOM 647 C PHE A 118 10.718 -2.799 -28.853 1.00 0.00 C ATOM 648 O PHE A 118 11.500 -2.033 -28.288 1.00 0.00 O ATOM 649 CB PHE A 118 11.944 -4.645 -30.004 1.00 0.00 C ATOM 650 CG PHE A 118 12.307 -5.231 -31.346 1.00 0.00 C ATOM 651 CD1 PHE A 118 11.330 -5.868 -32.120 1.00 0.00 C ATOM 652 CD2 PHE A 118 13.622 -5.136 -31.820 1.00 0.00 C ATOM 653 CE1 PHE A 118 11.668 -6.410 -33.366 1.00 0.00 C ATOM 654 CE2 PHE A 118 13.959 -5.679 -33.065 1.00 0.00 C ATOM 655 CZ PHE A 118 12.982 -6.317 -33.839 1.00 0.00 C ATOM 0 H PHE A 118 12.405 -1.825 -30.536 1.00 0.00 H new ATOM 0 HA PHE A 118 10.146 -3.699 -30.709 1.00 0.00 H new ATOM 0 HB2 PHE A 118 12.847 -4.378 -29.456 1.00 0.00 H new ATOM 0 HB3 PHE A 118 11.414 -5.385 -29.404 1.00 0.00 H new ATOM 0 HD1 PHE A 118 10.316 -5.941 -31.756 1.00 0.00 H new ATOM 0 HD2 PHE A 118 14.376 -4.643 -31.224 1.00 0.00 H new ATOM 0 HE1 PHE A 118 10.914 -6.901 -33.963 1.00 0.00 H new ATOM 0 HE2 PHE A 118 14.973 -5.606 -33.429 1.00 0.00 H new ATOM 0 HZ PHE A 118 13.242 -6.737 -34.800 1.00 0.00 H new ATOM 665 N ARG A 119 9.544 -3.145 -28.338 1.00 0.00 N ATOM 666 CA ARG A 119 9.102 -2.623 -27.050 1.00 0.00 C ATOM 667 C ARG A 119 8.871 -3.759 -26.059 1.00 0.00 C ATOM 668 O ARG A 119 8.342 -3.547 -24.968 1.00 0.00 O ATOM 669 CB ARG A 119 7.807 -1.826 -27.227 1.00 0.00 C ATOM 670 CG ARG A 119 6.708 -2.748 -27.759 1.00 0.00 C ATOM 671 CD ARG A 119 5.588 -2.858 -26.723 1.00 0.00 C ATOM 672 NE ARG A 119 4.666 -3.930 -27.087 1.00 0.00 N ATOM 673 CZ ARG A 119 3.351 -3.780 -26.958 1.00 0.00 C ATOM 674 NH1 ARG A 119 2.865 -2.660 -26.499 1.00 0.00 N ATOM 675 NH2 ARG A 119 2.551 -4.752 -27.290 1.00 0.00 N ATOM 0 H ARG A 119 8.885 -3.780 -28.788 1.00 0.00 H new ATOM 0 HA ARG A 119 9.881 -1.969 -26.658 1.00 0.00 H new ATOM 0 HB2 ARG A 119 7.502 -1.391 -26.275 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.968 -0.999 -27.918 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.313 -2.357 -28.697 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.118 -3.735 -27.973 1.00 0.00 H new ATOM 0 HD2 ARG A 119 6.012 -3.052 -25.738 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.050 -1.912 -26.657 1.00 0.00 H new ATOM 0 HE ARG A 119 5.037 -4.809 -27.447 1.00 0.00 H new ATOM 0 HH11 ARG A 119 3.494 -1.900 -26.239 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.856 -2.544 -26.400 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.933 -5.627 -27.648 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.542 -4.638 -27.192 1.00 0.00 H new ATOM 689 N SER A 120 9.267 -4.967 -26.449 1.00 0.00 N ATOM 690 CA SER A 120 9.096 -6.131 -25.587 1.00 0.00 C ATOM 691 C SER A 120 10.258 -7.103 -25.761 1.00 0.00 C ATOM 692 O SER A 120 10.750 -7.306 -26.872 1.00 0.00 O ATOM 693 CB SER A 120 7.783 -6.837 -25.922 1.00 0.00 C ATOM 694 OG SER A 120 7.640 -7.982 -25.089 1.00 0.00 O ATOM 0 H SER A 120 9.705 -5.164 -27.349 1.00 0.00 H new ATOM 0 HA SER A 120 9.074 -5.793 -24.551 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.943 -6.158 -25.774 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.773 -7.132 -26.971 1.00 0.00 H new ATOM 0 HG SER A 120 6.798 -8.437 -25.300 1.00 0.00 H new ATOM 700 N LYS A 121 10.693 -7.701 -24.657 1.00 0.00 N ATOM 701 CA LYS A 121 11.798 -8.651 -24.700 1.00 0.00 C ATOM 702 C LYS A 121 11.440 -9.854 -25.566 1.00 0.00 C ATOM 703 O LYS A 121 12.300 -10.432 -26.229 1.00 0.00 O ATOM 704 CB LYS A 121 12.138 -9.121 -23.284 1.00 0.00 C ATOM 705 CG LYS A 121 10.845 -9.411 -22.520 1.00 0.00 C ATOM 706 CD LYS A 121 11.119 -10.430 -21.412 1.00 0.00 C ATOM 707 CE LYS A 121 12.125 -9.846 -20.419 1.00 0.00 C ATOM 708 NZ LYS A 121 11.604 -8.558 -19.885 1.00 0.00 N ATOM 0 H LYS A 121 10.301 -7.546 -23.728 1.00 0.00 H new ATOM 0 HA LYS A 121 12.664 -8.152 -25.135 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.757 -10.017 -23.325 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.717 -8.357 -22.765 1.00 0.00 H new ATOM 0 HG2 LYS A 121 10.450 -8.490 -22.091 1.00 0.00 H new ATOM 0 HG3 LYS A 121 10.087 -9.796 -23.202 1.00 0.00 H new ATOM 0 HD2 LYS A 121 10.191 -10.684 -20.899 1.00 0.00 H new ATOM 0 HD3 LYS A 121 11.509 -11.353 -21.841 1.00 0.00 H new ATOM 0 HE2 LYS A 121 12.296 -10.548 -19.603 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.086 -9.687 -20.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.100 -8.322 -19.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 11.762 -7.803 -20.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.585 -8.647 -19.697 1.00 0.00 H new ATOM 722 N SER A 122 10.158 -10.221 -25.557 1.00 0.00 N ATOM 723 CA SER A 122 9.705 -11.365 -26.345 1.00 0.00 C ATOM 724 C SER A 122 9.958 -11.128 -27.830 1.00 0.00 C ATOM 725 O SER A 122 10.617 -11.934 -28.489 1.00 0.00 O ATOM 726 CB SER A 122 8.206 -11.578 -26.120 1.00 0.00 C ATOM 727 OG SER A 122 7.981 -11.925 -24.761 1.00 0.00 O ATOM 0 H SER A 122 9.427 -9.752 -25.022 1.00 0.00 H new ATOM 0 HA SER A 122 10.261 -12.247 -26.028 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.656 -10.671 -26.372 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.837 -12.367 -26.775 1.00 0.00 H new ATOM 0 HG SER A 122 7.022 -12.061 -24.612 1.00 0.00 H new ATOM 733 N SER A 123 9.466 -10.004 -28.344 1.00 0.00 N ATOM 734 CA SER A 123 9.663 -9.671 -29.750 1.00 0.00 C ATOM 735 C SER A 123 11.151 -9.700 -30.091 1.00 0.00 C ATOM 736 O SER A 123 11.540 -10.183 -31.157 1.00 0.00 O ATOM 737 CB SER A 123 9.108 -8.271 -30.030 1.00 0.00 C ATOM 738 OG SER A 123 7.697 -8.286 -29.866 1.00 0.00 O ATOM 0 H SER A 123 8.933 -9.315 -27.813 1.00 0.00 H new ATOM 0 HA SER A 123 9.139 -10.404 -30.363 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.557 -7.546 -29.351 1.00 0.00 H new ATOM 0 HB3 SER A 123 9.365 -7.961 -31.043 1.00 0.00 H new ATOM 0 HG SER A 123 7.338 -7.392 -30.043 1.00 0.00 H new ATOM 744 N LEU A 124 11.978 -9.194 -29.184 1.00 0.00 N ATOM 745 CA LEU A 124 13.422 -9.181 -29.398 1.00 0.00 C ATOM 746 C LEU A 124 13.951 -10.608 -29.526 1.00 0.00 C ATOM 747 O LEU A 124 14.756 -10.903 -30.409 1.00 0.00 O ATOM 748 CB LEU A 124 14.117 -8.476 -28.236 1.00 0.00 C ATOM 749 CG LEU A 124 15.627 -8.466 -28.474 1.00 0.00 C ATOM 750 CD1 LEU A 124 15.934 -7.728 -29.780 1.00 0.00 C ATOM 751 CD2 LEU A 124 16.321 -7.747 -27.315 1.00 0.00 C ATOM 0 H LEU A 124 11.677 -8.789 -28.298 1.00 0.00 H new ATOM 0 HA LEU A 124 13.632 -8.641 -30.321 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.746 -7.455 -28.142 1.00 0.00 H new ATOM 0 HB3 LEU A 124 13.889 -8.985 -27.299 1.00 0.00 H new ATOM 0 HG LEU A 124 15.989 -9.492 -28.539 1.00 0.00 H new ATOM 0 HD11 LEU A 124 17.011 -7.721 -29.949 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.439 -8.234 -30.609 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.571 -6.703 -29.713 1.00 0.00 H new ATOM 0 HD21 LEU A 124 17.398 -7.740 -27.484 1.00 0.00 H new ATOM 0 HD22 LEU A 124 15.956 -6.722 -27.252 1.00 0.00 H new ATOM 0 HD23 LEU A 124 16.104 -8.267 -26.382 1.00 0.00 H new ATOM 763 N ALA A 125 13.498 -11.485 -28.636 1.00 0.00 N ATOM 764 CA ALA A 125 13.922 -12.880 -28.665 1.00 0.00 C ATOM 765 C ALA A 125 13.479 -13.543 -29.970 1.00 0.00 C ATOM 766 O ALA A 125 14.088 -14.510 -30.423 1.00 0.00 O ATOM 767 CB ALA A 125 13.328 -13.634 -27.479 1.00 0.00 C ATOM 0 H ALA A 125 12.841 -11.256 -27.890 1.00 0.00 H new ATOM 0 HA ALA A 125 15.010 -12.912 -28.602 1.00 0.00 H new ATOM 0 HB1 ALA A 125 13.651 -14.675 -27.511 1.00 0.00 H new ATOM 0 HB2 ALA A 125 13.668 -13.177 -26.550 1.00 0.00 H new ATOM 0 HB3 ALA A 125 12.240 -13.590 -27.528 1.00 0.00 H new ATOM 773 N ASN A 126 12.410 -13.016 -30.562 1.00 0.00 N ATOM 774 CA ASN A 126 11.898 -13.554 -31.819 1.00 0.00 C ATOM 775 C ASN A 126 12.718 -13.027 -32.997 1.00 0.00 C ATOM 776 O ASN A 126 13.122 -13.787 -33.874 1.00 0.00 O ATOM 777 CB ASN A 126 10.435 -13.166 -31.997 1.00 0.00 C ATOM 778 CG ASN A 126 9.801 -14.019 -33.090 1.00 0.00 C ATOM 779 OD1 ASN A 126 10.084 -15.213 -33.192 1.00 0.00 O ATOM 780 ND2 ASN A 126 8.954 -13.475 -33.921 1.00 0.00 N ATOM 0 H ASN A 126 11.885 -12.223 -30.195 1.00 0.00 H new ATOM 0 HA ASN A 126 11.980 -14.641 -31.789 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.897 -13.303 -31.059 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.359 -12.110 -32.257 1.00 0.00 H new ATOM 0 HD21 ASN A 126 8.526 -14.039 -34.655 1.00 0.00 H new ATOM 0 HD22 ASN A 126 8.720 -12.486 -33.836 1.00 0.00 H new ATOM 787 N TYR A 127 12.964 -11.719 -33.002 1.00 0.00 N ATOM 788 CA TYR A 127 13.749 -11.102 -34.067 1.00 0.00 C ATOM 789 C TYR A 127 15.115 -11.774 -34.170 1.00 0.00 C ATOM 790 O TYR A 127 15.567 -12.115 -35.264 1.00 0.00 O ATOM 791 CB TYR A 127 13.927 -9.611 -33.784 1.00 0.00 C ATOM 792 CG TYR A 127 15.107 -9.090 -34.570 1.00 0.00 C ATOM 793 CD1 TYR A 127 15.031 -8.983 -35.961 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.279 -8.712 -33.902 1.00 0.00 C ATOM 795 CE1 TYR A 127 16.126 -8.499 -36.688 1.00 0.00 C ATOM 796 CE2 TYR A 127 17.373 -8.227 -34.627 1.00 0.00 C ATOM 797 CZ TYR A 127 17.297 -8.121 -36.021 1.00 0.00 C ATOM 798 OH TYR A 127 18.375 -7.645 -36.738 1.00 0.00 O ATOM 0 H TYR A 127 12.634 -11.071 -32.287 1.00 0.00 H new ATOM 0 HA TYR A 127 13.220 -11.228 -35.012 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.024 -9.067 -34.059 1.00 0.00 H new ATOM 0 HB3 TYR A 127 14.085 -9.448 -32.718 1.00 0.00 H new ATOM 0 HD1 TYR A 127 14.127 -9.274 -36.476 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.338 -8.795 -32.827 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.067 -8.417 -37.763 1.00 0.00 H new ATOM 0 HE2 TYR A 127 18.276 -7.934 -34.111 1.00 0.00 H new ATOM 0 HH TYR A 127 19.106 -7.427 -36.123 1.00 0.00 H new ATOM 808 N LEU A 128 15.768 -11.956 -33.026 1.00 0.00 N ATOM 809 CA LEU A 128 17.079 -12.596 -33.008 1.00 0.00 C ATOM 810 C LEU A 128 16.969 -14.052 -33.467 1.00 0.00 C ATOM 811 O LEU A 128 17.770 -14.517 -34.276 1.00 0.00 O ATOM 812 CB LEU A 128 17.647 -12.563 -31.585 1.00 0.00 C ATOM 813 CG LEU A 128 17.862 -11.109 -31.160 1.00 0.00 C ATOM 814 CD1 LEU A 128 18.292 -11.064 -29.693 1.00 0.00 C ATOM 815 CD2 LEU A 128 18.948 -10.474 -32.030 1.00 0.00 C ATOM 0 H LEU A 128 15.417 -11.674 -32.111 1.00 0.00 H new ATOM 0 HA LEU A 128 17.739 -12.056 -33.686 1.00 0.00 H new ATOM 0 HB2 LEU A 128 16.962 -13.058 -30.896 1.00 0.00 H new ATOM 0 HB3 LEU A 128 18.590 -13.109 -31.545 1.00 0.00 H new ATOM 0 HG LEU A 128 16.931 -10.556 -31.283 1.00 0.00 H new ATOM 0 HD11 LEU A 128 18.445 -10.028 -29.390 1.00 0.00 H new ATOM 0 HD12 LEU A 128 17.516 -11.512 -29.073 1.00 0.00 H new ATOM 0 HD13 LEU A 128 19.222 -11.619 -29.569 1.00 0.00 H new ATOM 0 HD21 LEU A 128 19.099 -9.438 -31.725 1.00 0.00 H new ATOM 0 HD22 LEU A 128 19.880 -11.027 -31.910 1.00 0.00 H new ATOM 0 HD23 LEU A 128 18.640 -10.503 -33.075 1.00 0.00 H new ATOM 827 N HIS A 129 15.963 -14.756 -32.961 1.00 0.00 N ATOM 828 CA HIS A 129 15.757 -16.151 -33.328 1.00 0.00 C ATOM 829 C HIS A 129 15.565 -16.282 -34.836 1.00 0.00 C ATOM 830 O HIS A 129 15.968 -17.276 -35.438 1.00 0.00 O ATOM 831 CB HIS A 129 14.531 -16.709 -32.602 1.00 0.00 C ATOM 832 CG HIS A 129 14.322 -18.145 -33.001 1.00 0.00 C ATOM 833 ND1 HIS A 129 15.153 -19.163 -32.559 1.00 0.00 N ATOM 834 CD2 HIS A 129 13.382 -18.748 -33.798 1.00 0.00 C ATOM 835 CE1 HIS A 129 14.701 -20.314 -33.089 1.00 0.00 C ATOM 836 NE2 HIS A 129 13.622 -20.117 -33.853 1.00 0.00 N ATOM 0 H HIS A 129 15.281 -14.386 -32.299 1.00 0.00 H new ATOM 0 HA HIS A 129 16.639 -16.720 -33.034 1.00 0.00 H new ATOM 0 HB2 HIS A 129 14.670 -16.637 -31.523 1.00 0.00 H new ATOM 0 HB3 HIS A 129 13.648 -16.119 -32.850 1.00 0.00 H new ATOM 0 HD2 HIS A 129 12.577 -18.237 -34.306 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.155 -21.279 -32.918 1.00 0.00 H new ATOM 0 HE2 HIS A 129 13.089 -20.819 -34.366 1.00 0.00 H new ATOM 845 N LYS A 130 14.930 -15.278 -35.434 1.00 0.00 N ATOM 846 CA LYS A 130 14.685 -15.291 -36.872 1.00 0.00 C ATOM 847 C LYS A 130 15.982 -15.118 -37.652 1.00 0.00 C ATOM 848 O LYS A 130 16.206 -15.786 -38.660 1.00 0.00 O ATOM 849 CB LYS A 130 13.707 -14.177 -37.243 1.00 0.00 C ATOM 850 CG LYS A 130 12.300 -14.552 -36.777 1.00 0.00 C ATOM 851 CD LYS A 130 11.380 -13.334 -36.888 1.00 0.00 C ATOM 852 CE LYS A 130 11.124 -13.014 -38.362 1.00 0.00 C ATOM 853 NZ LYS A 130 10.053 -11.985 -38.467 1.00 0.00 N ATOM 0 H LYS A 130 14.579 -14.452 -34.950 1.00 0.00 H new ATOM 0 HA LYS A 130 14.254 -16.257 -37.134 1.00 0.00 H new ATOM 0 HB2 LYS A 130 14.016 -13.239 -36.781 1.00 0.00 H new ATOM 0 HB3 LYS A 130 13.713 -14.018 -38.321 1.00 0.00 H new ATOM 0 HG2 LYS A 130 11.911 -15.370 -37.383 1.00 0.00 H new ATOM 0 HG3 LYS A 130 12.330 -14.905 -35.746 1.00 0.00 H new ATOM 0 HD2 LYS A 130 10.436 -13.531 -36.380 1.00 0.00 H new ATOM 0 HD3 LYS A 130 11.835 -12.476 -36.393 1.00 0.00 H new ATOM 0 HE2 LYS A 130 12.039 -12.651 -38.831 1.00 0.00 H new ATOM 0 HE3 LYS A 130 10.829 -13.917 -38.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.878 -11.767 -39.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.180 -12.348 -38.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 10.352 -11.121 -37.972 1.00 0.00 H new ATOM 867 N ASN A 131 16.842 -14.216 -37.172 1.00 0.00 N ATOM 868 CA ASN A 131 18.112 -13.966 -37.831 1.00 0.00 C ATOM 869 C ASN A 131 19.051 -15.155 -37.647 1.00 0.00 C ATOM 870 O ASN A 131 20.050 -15.283 -38.356 1.00 0.00 O ATOM 871 CB ASN A 131 18.760 -12.707 -37.254 1.00 0.00 C ATOM 872 CG ASN A 131 18.018 -11.468 -37.742 1.00 0.00 C ATOM 873 OD1 ASN A 131 17.230 -11.547 -38.686 1.00 0.00 O ATOM 874 ND2 ASN A 131 18.230 -10.321 -37.162 1.00 0.00 N ATOM 0 H ASN A 131 16.678 -13.655 -36.336 1.00 0.00 H new ATOM 0 HA ASN A 131 17.928 -13.823 -38.896 1.00 0.00 H new ATOM 0 HB2 ASN A 131 18.743 -12.746 -36.165 1.00 0.00 H new ATOM 0 HB3 ASN A 131 19.806 -12.656 -37.555 1.00 0.00 H new ATOM 0 HD21 ASN A 131 17.743 -9.486 -37.489 1.00 0.00 H new ATOM 0 HD22 ASN A 131 18.883 -10.257 -36.381 1.00 0.00 H new ATOM 881 N GLY A 132 18.724 -16.019 -36.693 1.00 0.00 N ATOM 882 CA GLY A 132 19.542 -17.197 -36.428 1.00 0.00 C ATOM 883 C GLY A 132 20.634 -16.883 -35.413 1.00 0.00 C ATOM 884 O GLY A 132 21.311 -17.784 -34.917 1.00 0.00 O ATOM 0 H GLY A 132 17.904 -15.927 -36.094 1.00 0.00 H new ATOM 0 HA2 GLY A 132 18.913 -18.005 -36.054 1.00 0.00 H new ATOM 0 HA3 GLY A 132 19.993 -17.548 -37.356 1.00 0.00 H new ATOM 888 N GLU A 133 20.801 -15.600 -35.107 1.00 0.00 N ATOM 889 CA GLU A 133 21.814 -15.181 -34.145 1.00 0.00 C ATOM 890 C GLU A 133 21.181 -14.932 -32.779 1.00 0.00 C ATOM 891 O GLU A 133 20.528 -13.911 -32.564 1.00 0.00 O ATOM 892 CB GLU A 133 22.500 -13.903 -34.633 1.00 0.00 C ATOM 893 CG GLU A 133 23.311 -14.208 -35.894 1.00 0.00 C ATOM 894 CD GLU A 133 23.988 -12.938 -36.397 1.00 0.00 C ATOM 895 OE1 GLU A 133 23.674 -11.878 -35.882 1.00 0.00 O ATOM 896 OE2 GLU A 133 24.815 -13.046 -37.288 1.00 0.00 O ATOM 0 H GLU A 133 20.253 -14.838 -35.507 1.00 0.00 H new ATOM 0 HA GLU A 133 22.554 -15.976 -34.052 1.00 0.00 H new ATOM 0 HB2 GLU A 133 21.755 -13.136 -34.844 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.153 -13.508 -33.855 1.00 0.00 H new ATOM 0 HG2 GLU A 133 24.061 -14.969 -35.679 1.00 0.00 H new ATOM 0 HG3 GLU A 133 22.658 -14.613 -36.667 1.00 0.00 H new ATOM 903 N THR A 134 21.385 -15.868 -31.860 1.00 0.00 N ATOM 904 CA THR A 134 20.827 -15.745 -30.519 1.00 0.00 C ATOM 905 C THR A 134 21.919 -15.378 -29.517 1.00 0.00 C ATOM 906 O THR A 134 21.727 -15.493 -28.307 1.00 0.00 O ATOM 907 CB THR A 134 20.167 -17.059 -30.100 1.00 0.00 C ATOM 908 OG1 THR A 134 21.143 -18.090 -30.074 1.00 0.00 O ATOM 909 CG2 THR A 134 19.067 -17.421 -31.100 1.00 0.00 C ATOM 0 H THR A 134 21.930 -16.716 -32.017 1.00 0.00 H new ATOM 0 HA THR A 134 20.077 -14.954 -30.531 1.00 0.00 H new ATOM 0 HB THR A 134 19.730 -16.946 -29.108 1.00 0.00 H new ATOM 0 HG1 THR A 134 20.722 -18.933 -29.804 1.00 0.00 H new ATOM 0 HG21 THR A 134 18.597 -18.358 -30.801 1.00 0.00 H new ATOM 0 HG22 THR A 134 18.318 -16.629 -31.119 1.00 0.00 H new ATOM 0 HG23 THR A 134 19.501 -17.534 -32.093 1.00 0.00 H new ATOM 917 N SER A 135 23.064 -14.945 -30.031 1.00 0.00 N ATOM 918 CA SER A 135 24.182 -14.570 -29.173 1.00 0.00 C ATOM 919 C SER A 135 23.810 -13.378 -28.297 1.00 0.00 C ATOM 920 O SER A 135 24.425 -13.144 -27.256 1.00 0.00 O ATOM 921 CB SER A 135 25.401 -14.220 -30.024 1.00 0.00 C ATOM 922 OG SER A 135 25.861 -15.389 -30.688 1.00 0.00 O ATOM 0 H SER A 135 23.243 -14.845 -31.030 1.00 0.00 H new ATOM 0 HA SER A 135 24.421 -15.417 -28.531 1.00 0.00 H new ATOM 0 HB2 SER A 135 25.142 -13.452 -30.753 1.00 0.00 H new ATOM 0 HB3 SER A 135 26.192 -13.810 -29.396 1.00 0.00 H new ATOM 0 HG SER A 135 26.642 -15.168 -31.237 1.00 0.00 H new ATOM 928 N LEU A 136 22.804 -12.626 -28.728 1.00 0.00 N ATOM 929 CA LEU A 136 22.359 -11.456 -27.974 1.00 0.00 C ATOM 930 C LEU A 136 21.149 -11.804 -27.112 1.00 0.00 C ATOM 931 O LEU A 136 20.217 -12.466 -27.570 1.00 0.00 O ATOM 932 CB LEU A 136 21.995 -10.325 -28.934 1.00 0.00 C ATOM 933 CG LEU A 136 22.080 -8.985 -28.202 1.00 0.00 C ATOM 934 CD1 LEU A 136 23.530 -8.494 -28.204 1.00 0.00 C ATOM 935 CD2 LEU A 136 21.193 -7.960 -28.908 1.00 0.00 C ATOM 0 H LEU A 136 22.284 -12.802 -29.588 1.00 0.00 H new ATOM 0 HA LEU A 136 23.173 -11.133 -27.325 1.00 0.00 H new ATOM 0 HB2 LEU A 136 22.671 -10.328 -29.789 1.00 0.00 H new ATOM 0 HB3 LEU A 136 20.988 -10.475 -29.324 1.00 0.00 H new ATOM 0 HG LEU A 136 21.740 -9.111 -27.174 1.00 0.00 H new ATOM 0 HD11 LEU A 136 23.591 -7.539 -27.682 1.00 0.00 H new ATOM 0 HD12 LEU A 136 24.162 -9.224 -27.699 1.00 0.00 H new ATOM 0 HD13 LEU A 136 23.870 -8.369 -29.232 1.00 0.00 H new ATOM 0 HD21 LEU A 136 21.254 -7.005 -28.386 1.00 0.00 H new ATOM 0 HD22 LEU A 136 21.531 -7.833 -29.937 1.00 0.00 H new ATOM 0 HD23 LEU A 136 20.161 -8.309 -28.906 1.00 0.00 H new ATOM 947 N LYS A 137 21.172 -11.360 -25.861 1.00 0.00 N ATOM 948 CA LYS A 137 20.077 -11.633 -24.942 1.00 0.00 C ATOM 949 C LYS A 137 19.272 -10.372 -24.664 1.00 0.00 C ATOM 950 O LYS A 137 19.775 -9.258 -24.809 1.00 0.00 O ATOM 951 CB LYS A 137 20.629 -12.194 -23.625 1.00 0.00 C ATOM 952 CG LYS A 137 20.800 -13.709 -23.741 1.00 0.00 C ATOM 953 CD LYS A 137 21.371 -14.264 -22.436 1.00 0.00 C ATOM 954 CE LYS A 137 22.894 -14.140 -22.450 1.00 0.00 C ATOM 955 NZ LYS A 137 23.454 -14.770 -21.220 1.00 0.00 N ATOM 0 H LYS A 137 21.934 -10.812 -25.462 1.00 0.00 H new ATOM 0 HA LYS A 137 19.418 -12.368 -25.405 1.00 0.00 H new ATOM 0 HB2 LYS A 137 21.586 -11.727 -23.393 1.00 0.00 H new ATOM 0 HB3 LYS A 137 19.951 -11.957 -22.805 1.00 0.00 H new ATOM 0 HG2 LYS A 137 19.840 -14.178 -23.958 1.00 0.00 H new ATOM 0 HG3 LYS A 137 21.465 -13.947 -24.571 1.00 0.00 H new ATOM 0 HD2 LYS A 137 20.959 -13.719 -21.586 1.00 0.00 H new ATOM 0 HD3 LYS A 137 21.082 -15.308 -22.316 1.00 0.00 H new ATOM 0 HE2 LYS A 137 23.301 -14.624 -23.338 1.00 0.00 H new ATOM 0 HE3 LYS A 137 23.184 -13.090 -22.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 24.491 -14.686 -21.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 23.074 -14.289 -20.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 23.188 -15.775 -21.193 1.00 0.00 H new ATOM 969 N PRO A 138 18.046 -10.528 -24.252 1.00 0.00 N ATOM 970 CA PRO A 138 17.152 -9.381 -23.923 1.00 0.00 C ATOM 971 C PRO A 138 17.781 -8.457 -22.876 1.00 0.00 C ATOM 972 O PRO A 138 17.460 -7.270 -22.813 1.00 0.00 O ATOM 973 CB PRO A 138 15.893 -10.052 -23.360 1.00 0.00 C ATOM 974 CG PRO A 138 15.902 -11.438 -23.912 1.00 0.00 C ATOM 975 CD PRO A 138 17.364 -11.822 -24.087 1.00 0.00 C ATOM 0 HA PRO A 138 16.954 -8.751 -24.790 1.00 0.00 H new ATOM 0 HB2 PRO A 138 15.908 -10.063 -22.270 1.00 0.00 H new ATOM 0 HB3 PRO A 138 14.994 -9.515 -23.661 1.00 0.00 H new ATOM 0 HG2 PRO A 138 15.398 -12.128 -23.236 1.00 0.00 H new ATOM 0 HG3 PRO A 138 15.373 -11.480 -24.864 1.00 0.00 H new ATOM 0 HD2 PRO A 138 17.742 -12.366 -23.221 1.00 0.00 H new ATOM 0 HD3 PRO A 138 17.508 -12.465 -24.956 1.00 0.00 H new ATOM 983 N GLU A 139 18.671 -9.010 -22.060 1.00 0.00 N ATOM 984 CA GLU A 139 19.327 -8.231 -21.015 1.00 0.00 C ATOM 985 C GLU A 139 20.346 -7.271 -21.616 1.00 0.00 C ATOM 986 O GLU A 139 21.020 -6.535 -20.896 1.00 0.00 O ATOM 987 CB GLU A 139 20.017 -9.168 -20.021 1.00 0.00 C ATOM 988 CG GLU A 139 20.169 -8.460 -18.673 1.00 0.00 C ATOM 989 CD GLU A 139 18.803 -8.299 -18.013 1.00 0.00 C ATOM 990 OE1 GLU A 139 17.883 -8.991 -18.421 1.00 0.00 O ATOM 991 OE2 GLU A 139 18.695 -7.482 -17.113 1.00 0.00 O ATOM 0 H GLU A 139 18.954 -9.989 -22.101 1.00 0.00 H new ATOM 0 HA GLU A 139 18.569 -7.647 -20.493 1.00 0.00 H new ATOM 0 HB2 GLU A 139 19.434 -10.081 -19.901 1.00 0.00 H new ATOM 0 HB3 GLU A 139 20.995 -9.463 -20.401 1.00 0.00 H new ATOM 0 HG2 GLU A 139 20.831 -9.034 -18.024 1.00 0.00 H new ATOM 0 HG3 GLU A 139 20.631 -7.483 -18.816 1.00 0.00 H new ATOM 998 N ASP A 140 20.466 -7.298 -22.940 1.00 0.00 N ATOM 999 CA ASP A 140 21.414 -6.428 -23.626 1.00 0.00 C ATOM 1000 C ASP A 140 20.857 -5.018 -23.766 1.00 0.00 C ATOM 1001 O ASP A 140 21.605 -4.040 -23.747 1.00 0.00 O ATOM 1002 CB ASP A 140 21.732 -6.995 -25.012 1.00 0.00 C ATOM 1003 CG ASP A 140 22.625 -8.222 -24.884 1.00 0.00 C ATOM 1004 OD1 ASP A 140 23.834 -8.051 -24.891 1.00 0.00 O ATOM 1005 OD2 ASP A 140 22.095 -9.314 -24.782 1.00 0.00 O ATOM 0 H ASP A 140 19.924 -7.907 -23.554 1.00 0.00 H new ATOM 0 HA ASP A 140 22.326 -6.382 -23.031 1.00 0.00 H new ATOM 0 HB2 ASP A 140 20.808 -7.260 -25.526 1.00 0.00 H new ATOM 0 HB3 ASP A 140 22.227 -6.237 -25.619 1.00 0.00 H new ATOM 1010 N PHE A 141 19.536 -4.919 -23.901 1.00 0.00 N ATOM 1011 CA PHE A 141 18.894 -3.621 -24.045 1.00 0.00 C ATOM 1012 C PHE A 141 18.215 -3.215 -22.739 1.00 0.00 C ATOM 1013 O PHE A 141 17.440 -3.981 -22.167 1.00 0.00 O ATOM 1014 CB PHE A 141 17.848 -3.674 -25.163 1.00 0.00 C ATOM 1015 CG PHE A 141 16.579 -4.302 -24.640 1.00 0.00 C ATOM 1016 CD1 PHE A 141 16.414 -5.690 -24.678 1.00 0.00 C ATOM 1017 CD2 PHE A 141 15.565 -3.489 -24.114 1.00 0.00 C ATOM 1018 CE1 PHE A 141 15.235 -6.268 -24.191 1.00 0.00 C ATOM 1019 CE2 PHE A 141 14.387 -4.067 -23.628 1.00 0.00 C ATOM 1020 CZ PHE A 141 14.222 -5.457 -23.666 1.00 0.00 C ATOM 0 H PHE A 141 18.898 -5.715 -23.913 1.00 0.00 H new ATOM 0 HA PHE A 141 19.658 -2.885 -24.295 1.00 0.00 H new ATOM 0 HB2 PHE A 141 17.643 -2.669 -25.531 1.00 0.00 H new ATOM 0 HB3 PHE A 141 18.230 -4.250 -26.006 1.00 0.00 H new ATOM 0 HD1 PHE A 141 17.195 -6.316 -25.083 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.693 -2.417 -24.084 1.00 0.00 H new ATOM 0 HE1 PHE A 141 15.107 -7.340 -24.221 1.00 0.00 H new ATOM 0 HE2 PHE A 141 13.605 -3.441 -23.224 1.00 0.00 H new ATOM 0 HZ PHE A 141 13.313 -5.903 -23.290 1.00 0.00 H new ATOM 1030 N ASP A 142 18.513 -2.006 -22.276 1.00 0.00 N ATOM 1031 CA ASP A 142 17.923 -1.502 -21.041 1.00 0.00 C ATOM 1032 C ASP A 142 16.906 -0.406 -21.344 1.00 0.00 C ATOM 1033 O ASP A 142 17.274 0.703 -21.737 1.00 0.00 O ATOM 1034 CB ASP A 142 19.012 -0.953 -20.123 1.00 0.00 C ATOM 1035 CG ASP A 142 18.392 -0.427 -18.832 1.00 0.00 C ATOM 1036 OD1 ASP A 142 18.263 -1.204 -17.901 1.00 0.00 O ATOM 1037 OD2 ASP A 142 18.056 0.745 -18.795 1.00 0.00 O ATOM 0 H ASP A 142 19.156 -1.360 -22.734 1.00 0.00 H new ATOM 0 HA ASP A 142 17.415 -2.327 -20.541 1.00 0.00 H new ATOM 0 HB2 ASP A 142 19.736 -1.736 -19.896 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.555 -0.154 -20.627 1.00 0.00 H new ATOM 1042 N PHE A 143 15.628 -0.721 -21.159 1.00 0.00 N ATOM 1043 CA PHE A 143 14.570 0.249 -21.421 1.00 0.00 C ATOM 1044 C PHE A 143 14.204 1.003 -20.148 1.00 0.00 C ATOM 1045 O PHE A 143 13.886 2.192 -20.189 1.00 0.00 O ATOM 1046 CB PHE A 143 13.330 -0.470 -21.961 1.00 0.00 C ATOM 1047 CG PHE A 143 12.652 -1.220 -20.841 1.00 0.00 C ATOM 1048 CD1 PHE A 143 13.108 -2.490 -20.471 1.00 0.00 C ATOM 1049 CD2 PHE A 143 11.568 -0.642 -20.168 1.00 0.00 C ATOM 1050 CE1 PHE A 143 12.479 -3.185 -19.430 1.00 0.00 C ATOM 1051 CE2 PHE A 143 10.939 -1.337 -19.127 1.00 0.00 C ATOM 1052 CZ PHE A 143 11.395 -2.608 -18.759 1.00 0.00 C ATOM 0 H PHE A 143 15.302 -1.630 -20.832 1.00 0.00 H new ATOM 0 HA PHE A 143 14.932 0.963 -22.160 1.00 0.00 H new ATOM 0 HB2 PHE A 143 12.640 0.252 -22.399 1.00 0.00 H new ATOM 0 HB3 PHE A 143 13.615 -1.161 -22.755 1.00 0.00 H new ATOM 0 HD1 PHE A 143 13.945 -2.935 -20.988 1.00 0.00 H new ATOM 0 HD2 PHE A 143 11.217 0.339 -20.452 1.00 0.00 H new ATOM 0 HE1 PHE A 143 12.831 -4.166 -19.145 1.00 0.00 H new ATOM 0 HE2 PHE A 143 10.102 -0.892 -18.609 1.00 0.00 H new ATOM 0 HZ PHE A 143 10.910 -3.144 -17.957 1.00 0.00 H new