USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=15 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 Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.119) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -129:sc= -2.36! USER MOD Single : A 109 TYR OH : rot 180:sc= -1.49! USER MOD Single : A 112 SER OG : rot 180:sc= 0.53 USER MOD Single : A 114 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.37) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 162:sc=-0.000527 (180deg=-0.294) 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= -1.25 K(o=-1.3,f=-2.9!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc=-0.00309 X(o=-0.0031,f=-0.0031) USER MOD Single : A 130 LYS NZ :NH3+ 163:sc= -0.0192 (180deg=-0.391) USER MOD Single : A 131 ASN :FLIP amide:sc= -0.884! C(o=-2!,f=-0.88!) 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+ 160:sc= -0.0381 (180deg=-0.551) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 24.368 0.198 -25.532 1.00 0.00 N ATOM 135 CA PRO A 87 25.296 -0.563 -26.420 1.00 0.00 C ATOM 136 C PRO A 87 25.276 -0.040 -27.854 1.00 0.00 C ATOM 137 O PRO A 87 24.242 0.405 -28.350 1.00 0.00 O ATOM 138 CB PRO A 87 24.763 -1.998 -26.358 1.00 0.00 C ATOM 139 CG PRO A 87 23.977 -2.073 -25.093 1.00 0.00 C ATOM 140 CD PRO A 87 23.381 -0.681 -24.891 1.00 0.00 C ATOM 0 HA PRO A 87 26.334 -0.474 -26.099 1.00 0.00 H new ATOM 0 HB2 PRO A 87 24.139 -2.223 -27.223 1.00 0.00 H new ATOM 0 HB3 PRO A 87 25.579 -2.721 -26.357 1.00 0.00 H new ATOM 0 HG2 PRO A 87 23.193 -2.827 -25.163 1.00 0.00 H new ATOM 0 HG3 PRO A 87 24.613 -2.352 -24.253 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.399 -0.591 -25.355 1.00 0.00 H new ATOM 0 HD3 PRO A 87 23.257 -0.445 -23.834 1.00 0.00 H new ATOM 148 N CYS A 88 26.429 -0.093 -28.514 1.00 0.00 N ATOM 149 CA CYS A 88 26.536 0.381 -29.890 1.00 0.00 C ATOM 150 C CYS A 88 25.646 -0.446 -30.811 1.00 0.00 C ATOM 151 O CYS A 88 25.452 -1.642 -30.593 1.00 0.00 O ATOM 152 CB CYS A 88 27.987 0.292 -30.362 1.00 0.00 C ATOM 153 SG CYS A 88 28.999 1.473 -29.436 1.00 0.00 S ATOM 0 H CYS A 88 27.297 -0.457 -28.122 1.00 0.00 H new ATOM 0 HA CYS A 88 26.208 1.420 -29.924 1.00 0.00 H new ATOM 0 HB2 CYS A 88 28.366 -0.720 -30.217 1.00 0.00 H new ATOM 0 HB3 CYS A 88 28.047 0.505 -31.429 1.00 0.00 H new ATOM 0 HG CYS A 88 30.233 1.395 -29.837 1.00 0.00 H new ATOM 159 N GLY A 89 25.104 0.200 -31.836 1.00 0.00 N ATOM 160 CA GLY A 89 24.229 -0.484 -32.782 1.00 0.00 C ATOM 161 C GLY A 89 22.765 -0.344 -32.372 1.00 0.00 C ATOM 162 O GLY A 89 21.862 -0.638 -33.153 1.00 0.00 O ATOM 0 H GLY A 89 25.253 1.190 -32.033 1.00 0.00 H new ATOM 0 HA2 GLY A 89 24.372 -0.070 -33.780 1.00 0.00 H new ATOM 0 HA3 GLY A 89 24.497 -1.539 -32.833 1.00 0.00 H new ATOM 166 N TRP A 90 22.544 0.116 -31.147 1.00 0.00 N ATOM 167 CA TRP A 90 21.187 0.307 -30.640 1.00 0.00 C ATOM 168 C TRP A 90 20.858 1.791 -30.525 1.00 0.00 C ATOM 169 O TRP A 90 21.727 2.605 -30.212 1.00 0.00 O ATOM 170 CB TRP A 90 21.038 -0.361 -29.274 1.00 0.00 C ATOM 171 CG TRP A 90 20.801 -1.826 -29.459 1.00 0.00 C ATOM 172 CD1 TRP A 90 21.742 -2.789 -29.336 1.00 0.00 C ATOM 173 CD2 TRP A 90 19.556 -2.508 -29.788 1.00 0.00 C ATOM 174 NE1 TRP A 90 21.154 -4.020 -29.574 1.00 0.00 N ATOM 175 CE2 TRP A 90 19.808 -3.899 -29.855 1.00 0.00 C ATOM 176 CE3 TRP A 90 18.244 -2.060 -30.032 1.00 0.00 C ATOM 177 CZ2 TRP A 90 18.795 -4.811 -30.155 1.00 0.00 C ATOM 178 CZ3 TRP A 90 17.223 -2.977 -30.335 1.00 0.00 C ATOM 179 CH2 TRP A 90 17.500 -4.349 -30.395 1.00 0.00 C ATOM 0 H TRP A 90 23.282 0.363 -30.487 1.00 0.00 H new ATOM 0 HA TRP A 90 20.492 -0.151 -31.343 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.936 -0.199 -28.678 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.208 0.086 -28.727 1.00 0.00 H new ATOM 0 HD1 TRP A 90 22.781 -2.625 -29.092 1.00 0.00 H new ATOM 0 HE1 TRP A 90 21.655 -4.908 -29.545 1.00 0.00 H new ATOM 0 HE3 TRP A 90 18.020 -1.004 -29.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 19.012 -5.868 -30.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 16.220 -2.622 -30.522 1.00 0.00 H new ATOM 0 HH2 TRP A 90 16.711 -5.049 -30.627 1.00 0.00 H new ATOM 190 N GLU A 91 19.599 2.133 -30.778 1.00 0.00 N ATOM 191 CA GLU A 91 19.164 3.523 -30.696 1.00 0.00 C ATOM 192 C GLU A 91 18.051 3.675 -29.665 1.00 0.00 C ATOM 193 O GLU A 91 17.294 2.738 -29.415 1.00 0.00 O ATOM 194 CB GLU A 91 18.666 3.998 -32.060 1.00 0.00 C ATOM 195 CG GLU A 91 19.799 3.894 -33.084 1.00 0.00 C ATOM 196 CD GLU A 91 19.766 2.528 -33.761 1.00 0.00 C ATOM 197 OE1 GLU A 91 19.139 1.632 -33.218 1.00 0.00 O ATOM 198 OE2 GLU A 91 20.367 2.397 -34.815 1.00 0.00 O ATOM 0 H GLU A 91 18.867 1.473 -31.040 1.00 0.00 H new ATOM 0 HA GLU A 91 20.015 4.132 -30.390 1.00 0.00 H new ATOM 0 HB2 GLU A 91 17.817 3.394 -32.379 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.317 5.028 -31.992 1.00 0.00 H new ATOM 0 HG2 GLU A 91 19.699 4.682 -33.831 1.00 0.00 H new ATOM 0 HG3 GLU A 91 20.760 4.042 -32.592 1.00 0.00 H new ATOM 205 N ARG A 92 17.955 4.864 -29.071 1.00 0.00 N ATOM 206 CA ARG A 92 16.928 5.127 -28.071 1.00 0.00 C ATOM 207 C ARG A 92 16.028 6.273 -28.527 1.00 0.00 C ATOM 208 O ARG A 92 16.505 7.364 -28.835 1.00 0.00 O ATOM 209 CB ARG A 92 17.578 5.488 -26.734 1.00 0.00 C ATOM 210 CG ARG A 92 16.535 5.402 -25.620 1.00 0.00 C ATOM 211 CD ARG A 92 16.496 3.976 -25.066 1.00 0.00 C ATOM 212 NE ARG A 92 17.784 3.631 -24.474 1.00 0.00 N ATOM 213 CZ ARG A 92 18.048 2.389 -24.080 1.00 0.00 C ATOM 214 NH1 ARG A 92 17.149 1.455 -24.221 1.00 0.00 N ATOM 215 NH2 ARG A 92 19.208 2.104 -23.555 1.00 0.00 N ATOM 0 H ARG A 92 18.572 5.653 -29.265 1.00 0.00 H new ATOM 0 HA ARG A 92 16.325 4.227 -27.947 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.405 4.810 -26.525 1.00 0.00 H new ATOM 0 HB3 ARG A 92 17.994 6.494 -26.780 1.00 0.00 H new ATOM 0 HG2 ARG A 92 16.778 6.106 -24.824 1.00 0.00 H new ATOM 0 HG3 ARG A 92 15.554 5.681 -26.004 1.00 0.00 H new ATOM 0 HD2 ARG A 92 15.709 3.890 -24.317 1.00 0.00 H new ATOM 0 HD3 ARG A 92 16.255 3.274 -25.864 1.00 0.00 H new ATOM 0 HE ARG A 92 18.494 4.355 -24.361 1.00 0.00 H new ATOM 0 HH11 ARG A 92 16.243 1.677 -24.634 1.00 0.00 H new ATOM 0 HH12 ARG A 92 17.352 0.502 -23.919 1.00 0.00 H new ATOM 0 HH21 ARG A 92 19.912 2.834 -23.447 1.00 0.00 H new ATOM 0 HH22 ARG A 92 19.411 1.151 -23.253 1.00 0.00 H new ATOM 229 N VAL A 93 14.727 6.011 -28.571 1.00 0.00 N ATOM 230 CA VAL A 93 13.764 7.015 -29.003 1.00 0.00 C ATOM 231 C VAL A 93 12.652 7.186 -27.977 1.00 0.00 C ATOM 232 O VAL A 93 12.112 6.203 -27.471 1.00 0.00 O ATOM 233 CB VAL A 93 13.159 6.607 -30.349 1.00 0.00 C ATOM 234 CG1 VAL A 93 11.939 7.482 -30.647 1.00 0.00 C ATOM 235 CG2 VAL A 93 14.200 6.802 -31.458 1.00 0.00 C ATOM 0 H VAL A 93 14.316 5.114 -28.313 1.00 0.00 H new ATOM 0 HA VAL A 93 14.287 7.966 -29.106 1.00 0.00 H new ATOM 0 HB VAL A 93 12.859 5.560 -30.307 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.508 7.192 -31.605 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.196 7.350 -29.860 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.243 8.528 -30.688 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.769 6.512 -32.416 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.498 7.850 -31.497 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.073 6.184 -31.250 1.00 0.00 H new ATOM 245 N VAL A 94 12.311 8.438 -27.681 1.00 0.00 N ATOM 246 CA VAL A 94 11.248 8.721 -26.725 1.00 0.00 C ATOM 247 C VAL A 94 10.110 9.468 -27.411 1.00 0.00 C ATOM 248 O VAL A 94 10.342 10.360 -28.229 1.00 0.00 O ATOM 249 CB VAL A 94 11.793 9.559 -25.570 1.00 0.00 C ATOM 250 CG1 VAL A 94 12.955 8.820 -24.909 1.00 0.00 C ATOM 251 CG2 VAL A 94 12.280 10.907 -26.105 1.00 0.00 C ATOM 0 H VAL A 94 12.751 9.264 -28.086 1.00 0.00 H new ATOM 0 HA VAL A 94 10.868 7.777 -26.334 1.00 0.00 H new ATOM 0 HB VAL A 94 11.005 9.724 -24.835 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.344 9.418 -24.085 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.606 7.860 -24.528 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.745 8.654 -25.642 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.669 11.506 -25.282 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.069 10.744 -26.839 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.449 11.433 -26.576 1.00 0.00 H new ATOM 261 N LYS A 95 8.877 9.101 -27.070 1.00 0.00 N ATOM 262 CA LYS A 95 7.706 9.742 -27.660 1.00 0.00 C ATOM 263 C LYS A 95 6.847 10.394 -26.582 1.00 0.00 C ATOM 264 O LYS A 95 6.547 9.780 -25.560 1.00 0.00 O ATOM 265 CB LYS A 95 6.874 8.706 -28.421 1.00 0.00 C ATOM 266 CG LYS A 95 7.068 8.896 -29.927 1.00 0.00 C ATOM 267 CD LYS A 95 6.225 10.083 -30.401 1.00 0.00 C ATOM 268 CE LYS A 95 6.919 10.762 -31.585 1.00 0.00 C ATOM 269 NZ LYS A 95 6.990 9.812 -32.730 1.00 0.00 N ATOM 0 H LYS A 95 8.664 8.368 -26.393 1.00 0.00 H new ATOM 0 HA LYS A 95 8.048 10.514 -28.349 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.174 7.699 -28.130 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.820 8.812 -28.164 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.120 9.071 -30.150 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.775 7.991 -30.460 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.232 9.743 -30.694 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.091 10.795 -29.587 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.372 11.659 -31.876 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.922 11.080 -31.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.287 10.322 -33.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.678 9.062 -32.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.054 9.388 -32.888 1.00 0.00 H new ATOM 283 N GLN A 96 6.457 11.642 -26.821 1.00 0.00 N ATOM 284 CA GLN A 96 5.631 12.371 -25.865 1.00 0.00 C ATOM 285 C GLN A 96 4.156 12.102 -26.121 1.00 0.00 C ATOM 286 O GLN A 96 3.721 11.999 -27.268 1.00 0.00 O ATOM 287 CB GLN A 96 5.910 13.872 -25.970 1.00 0.00 C ATOM 288 CG GLN A 96 5.159 14.608 -24.860 1.00 0.00 C ATOM 289 CD GLN A 96 5.528 16.087 -24.876 1.00 0.00 C ATOM 290 OE1 GLN A 96 6.320 16.522 -25.712 1.00 0.00 O ATOM 291 NE2 GLN A 96 5.000 16.892 -23.994 1.00 0.00 N ATOM 0 H GLN A 96 6.697 12.167 -27.662 1.00 0.00 H new ATOM 0 HA GLN A 96 5.880 12.029 -24.861 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.980 14.061 -25.887 1.00 0.00 H new ATOM 0 HB3 GLN A 96 5.596 14.244 -26.945 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.084 14.491 -24.997 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.406 14.173 -23.892 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.344 16.530 -23.302 1.00 0.00 H new ATOM 0 HE22 GLN A 96 5.244 17.882 -23.997 1.00 0.00 H new ATOM 300 N ARG A 97 3.386 11.982 -25.047 1.00 0.00 N ATOM 301 CA ARG A 97 1.959 11.714 -25.167 1.00 0.00 C ATOM 302 C ARG A 97 1.164 13.013 -25.245 1.00 0.00 C ATOM 303 O ARG A 97 1.639 14.067 -24.828 1.00 0.00 O ATOM 304 CB ARG A 97 1.477 10.905 -23.958 1.00 0.00 C ATOM 305 CG ARG A 97 0.819 9.613 -24.437 1.00 0.00 C ATOM 306 CD ARG A 97 0.160 8.908 -23.251 1.00 0.00 C ATOM 307 NE ARG A 97 1.045 7.860 -22.736 1.00 0.00 N ATOM 308 CZ ARG A 97 0.595 6.631 -22.490 1.00 0.00 C ATOM 309 NH1 ARG A 97 -0.657 6.336 -22.708 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.406 5.721 -22.027 1.00 0.00 N ATOM 0 H ARG A 97 3.723 12.065 -24.088 1.00 0.00 H new ATOM 0 HA ARG A 97 1.798 11.146 -26.084 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.317 10.676 -23.302 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.768 11.492 -23.374 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.075 9.833 -25.202 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.563 8.961 -24.894 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.059 9.630 -22.464 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.791 8.474 -23.558 1.00 0.00 H new ATOM 0 HE ARG A 97 2.027 8.076 -22.562 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.293 7.047 -23.068 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.999 5.394 -22.519 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.385 5.951 -21.853 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.062 4.780 -21.838 1.00 0.00 H new ATOM 324 N LEU A 98 -0.051 12.928 -25.782 1.00 0.00 N ATOM 325 CA LEU A 98 -0.908 14.097 -25.885 1.00 0.00 C ATOM 326 C LEU A 98 -1.619 14.337 -24.559 1.00 0.00 C ATOM 327 O LEU A 98 -0.996 14.761 -23.588 1.00 0.00 O ATOM 328 CB LEU A 98 -1.947 13.892 -26.994 1.00 0.00 C ATOM 329 CG LEU A 98 -1.288 14.078 -28.354 1.00 0.00 C ATOM 330 CD1 LEU A 98 -0.847 15.534 -28.516 1.00 0.00 C ATOM 331 CD2 LEU A 98 -0.066 13.161 -28.453 1.00 0.00 C ATOM 0 H LEU A 98 -0.458 12.068 -26.149 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.293 14.963 -26.127 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.379 12.894 -26.922 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.765 14.602 -26.875 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.000 13.827 -29.141 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.376 15.665 -29.490 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.716 16.188 -28.443 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.135 15.788 -27.731 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.409 13.291 -29.426 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.644 13.415 -27.666 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.380 12.123 -28.338 1.00 0.00 H new ATOM 343 N PHE A 99 -2.926 14.054 -24.514 1.00 0.00 N ATOM 344 CA PHE A 99 -3.705 14.224 -23.303 1.00 0.00 C ATOM 345 C PHE A 99 -4.734 13.112 -23.169 1.00 0.00 C ATOM 346 O PHE A 99 -5.207 12.569 -24.166 1.00 0.00 O ATOM 347 CB PHE A 99 -4.398 15.586 -23.303 1.00 0.00 C ATOM 348 CG PHE A 99 -3.363 16.684 -23.310 1.00 0.00 C ATOM 349 CD1 PHE A 99 -2.250 16.608 -22.456 1.00 0.00 C ATOM 350 CD2 PHE A 99 -3.511 17.779 -24.168 1.00 0.00 C ATOM 351 CE1 PHE A 99 -1.293 17.624 -22.466 1.00 0.00 C ATOM 352 CE2 PHE A 99 -2.550 18.797 -24.175 1.00 0.00 C ATOM 353 CZ PHE A 99 -1.442 18.719 -23.322 1.00 0.00 C ATOM 0 H PHE A 99 -3.459 13.705 -25.311 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.028 14.175 -22.450 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.044 15.676 -24.177 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.036 15.680 -22.424 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.135 15.764 -21.792 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.366 17.839 -24.825 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.436 17.564 -21.811 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.663 19.642 -24.838 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.702 19.506 -23.326 1.00 0.00 H new ATOM 363 N GLY A 100 -5.085 12.777 -21.930 1.00 0.00 N ATOM 364 CA GLY A 100 -6.057 11.721 -21.680 1.00 0.00 C ATOM 365 C GLY A 100 -5.970 11.230 -20.239 1.00 0.00 C ATOM 366 O GLY A 100 -5.786 12.019 -19.314 1.00 0.00 O ATOM 0 H GLY A 100 -4.713 13.219 -21.090 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.062 12.091 -21.882 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.880 10.890 -22.363 1.00 0.00 H new ATOM 370 N LYS A 101 -6.104 9.922 -20.057 1.00 0.00 N ATOM 371 CA LYS A 101 -6.040 9.335 -18.724 1.00 0.00 C ATOM 372 C LYS A 101 -4.615 8.896 -18.397 1.00 0.00 C ATOM 373 O LYS A 101 -4.252 8.757 -17.229 1.00 0.00 O ATOM 374 CB LYS A 101 -6.976 8.128 -18.637 1.00 0.00 C ATOM 375 CG LYS A 101 -8.302 8.459 -19.331 1.00 0.00 C ATOM 376 CD LYS A 101 -8.342 7.792 -20.708 1.00 0.00 C ATOM 377 CE LYS A 101 -8.298 6.270 -20.543 1.00 0.00 C ATOM 378 NZ LYS A 101 -9.355 5.649 -21.384 1.00 0.00 N ATOM 0 H LYS A 101 -6.257 9.251 -20.810 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.351 10.091 -18.003 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.513 7.261 -19.108 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.154 7.867 -17.594 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.138 8.113 -18.724 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.410 9.539 -19.436 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.248 8.084 -21.239 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.498 8.127 -21.310 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.318 5.890 -20.833 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.447 6.003 -19.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.325 4.615 -21.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.287 6.003 -21.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.193 5.894 -22.382 1.00 0.00 H new ATOM 392 N THR A 102 -3.814 8.673 -19.441 1.00 0.00 N ATOM 393 CA THR A 102 -2.437 8.235 -19.253 1.00 0.00 C ATOM 394 C THR A 102 -1.473 9.392 -19.465 1.00 0.00 C ATOM 395 O THR A 102 -0.290 9.285 -19.143 1.00 0.00 O ATOM 396 CB THR A 102 -2.117 7.103 -20.228 1.00 0.00 C ATOM 397 OG1 THR A 102 -2.323 7.560 -21.556 1.00 0.00 O ATOM 398 CG2 THR A 102 -3.027 5.906 -19.948 1.00 0.00 C ATOM 0 H THR A 102 -4.095 8.788 -20.415 1.00 0.00 H new ATOM 0 HA THR A 102 -2.322 7.874 -18.231 1.00 0.00 H new ATOM 0 HB THR A 102 -1.078 6.797 -20.103 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.894 6.924 -22.036 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.795 5.101 -20.646 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.867 5.558 -18.927 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.068 6.204 -20.071 1.00 0.00 H new ATOM 406 N ALA A 103 -1.987 10.491 -20.006 1.00 0.00 N ATOM 407 CA ALA A 103 -1.165 11.675 -20.242 1.00 0.00 C ATOM 408 C ALA A 103 -0.165 11.861 -19.098 1.00 0.00 C ATOM 409 O ALA A 103 -0.335 11.300 -18.013 1.00 0.00 O ATOM 410 CB ALA A 103 -2.054 12.911 -20.338 1.00 0.00 C ATOM 0 H ALA A 103 -2.962 10.588 -20.288 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.621 11.541 -21.177 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.436 13.791 -20.514 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.757 12.791 -21.162 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.606 13.036 -19.406 1.00 0.00 H new ATOM 416 N GLY A 104 0.868 12.651 -19.347 1.00 0.00 N ATOM 417 CA GLY A 104 1.884 12.909 -18.332 1.00 0.00 C ATOM 418 C GLY A 104 2.866 11.748 -18.241 1.00 0.00 C ATOM 419 O GLY A 104 3.814 11.784 -17.457 1.00 0.00 O ATOM 0 H GLY A 104 1.027 13.123 -20.237 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.420 13.827 -18.573 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.407 13.064 -17.364 1.00 0.00 H new ATOM 423 N ARG A 105 2.633 10.719 -19.047 1.00 0.00 N ATOM 424 CA ARG A 105 3.500 9.549 -19.050 1.00 0.00 C ATOM 425 C ARG A 105 4.459 9.596 -20.235 1.00 0.00 C ATOM 426 O ARG A 105 4.084 10.010 -21.333 1.00 0.00 O ATOM 427 CB ARG A 105 2.662 8.271 -19.119 1.00 0.00 C ATOM 428 CG ARG A 105 3.529 7.067 -18.741 1.00 0.00 C ATOM 429 CD ARG A 105 3.502 6.874 -17.223 1.00 0.00 C ATOM 430 NE ARG A 105 2.145 6.583 -16.776 1.00 0.00 N ATOM 431 CZ ARG A 105 1.683 5.336 -16.748 1.00 0.00 C ATOM 432 NH1 ARG A 105 2.449 4.348 -17.120 1.00 0.00 N ATOM 433 NH2 ARG A 105 0.464 5.101 -16.346 1.00 0.00 N ATOM 0 H ARG A 105 1.854 10.672 -19.704 1.00 0.00 H new ATOM 0 HA ARG A 105 4.079 9.550 -18.127 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.811 8.345 -18.442 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.260 8.141 -20.124 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.161 6.170 -19.239 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.553 7.222 -19.080 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.168 6.059 -16.941 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.871 7.773 -16.728 1.00 0.00 H new ATOM 0 HE ARG A 105 1.540 7.349 -16.480 1.00 0.00 H new ATOM 0 HH11 ARG A 105 3.402 4.532 -17.432 1.00 0.00 H new ATOM 0 HH12 ARG A 105 2.095 3.392 -17.098 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -0.134 5.873 -16.053 1.00 0.00 H new ATOM 0 HH22 ARG A 105 0.109 4.145 -16.324 1.00 0.00 H new ATOM 447 N PHE A 106 5.696 9.167 -20.008 1.00 0.00 N ATOM 448 CA PHE A 106 6.697 9.166 -21.068 1.00 0.00 C ATOM 449 C PHE A 106 6.892 7.758 -21.621 1.00 0.00 C ATOM 450 O PHE A 106 7.080 6.804 -20.866 1.00 0.00 O ATOM 451 CB PHE A 106 8.031 9.689 -20.527 1.00 0.00 C ATOM 452 CG PHE A 106 7.895 11.150 -20.175 1.00 0.00 C ATOM 453 CD1 PHE A 106 8.027 12.125 -21.169 1.00 0.00 C ATOM 454 CD2 PHE A 106 7.631 11.530 -18.853 1.00 0.00 C ATOM 455 CE1 PHE A 106 7.900 13.479 -20.845 1.00 0.00 C ATOM 456 CE2 PHE A 106 7.503 12.887 -18.527 1.00 0.00 C ATOM 457 CZ PHE A 106 7.638 13.861 -19.523 1.00 0.00 C ATOM 0 H PHE A 106 6.027 8.819 -19.108 1.00 0.00 H new ATOM 0 HA PHE A 106 6.348 9.816 -21.871 1.00 0.00 H new ATOM 0 HB2 PHE A 106 8.327 9.118 -19.647 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.815 9.555 -21.272 1.00 0.00 H new ATOM 0 HD1 PHE A 106 8.227 11.831 -22.189 1.00 0.00 H new ATOM 0 HD2 PHE A 106 7.526 10.778 -18.085 1.00 0.00 H new ATOM 0 HE1 PHE A 106 8.004 14.230 -21.614 1.00 0.00 H new ATOM 0 HE2 PHE A 106 7.300 13.181 -17.508 1.00 0.00 H new ATOM 0 HZ PHE A 106 7.540 14.907 -19.272 1.00 0.00 H new ATOM 467 N ASP A 107 6.843 7.636 -22.946 1.00 0.00 N ATOM 468 CA ASP A 107 7.015 6.339 -23.592 1.00 0.00 C ATOM 469 C ASP A 107 8.371 6.263 -24.285 1.00 0.00 C ATOM 470 O ASP A 107 8.793 7.208 -24.950 1.00 0.00 O ATOM 471 CB ASP A 107 5.900 6.113 -24.616 1.00 0.00 C ATOM 472 CG ASP A 107 4.539 6.172 -23.929 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.082 5.134 -23.480 1.00 0.00 O ATOM 474 OD2 ASP A 107 3.973 7.252 -23.860 1.00 0.00 O ATOM 0 H ASP A 107 6.687 8.413 -23.588 1.00 0.00 H new ATOM 0 HA ASP A 107 6.967 5.563 -22.828 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.955 6.870 -25.398 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.030 5.145 -25.100 1.00 0.00 H new ATOM 479 N VAL A 108 9.052 5.131 -24.120 1.00 0.00 N ATOM 480 CA VAL A 108 10.363 4.950 -24.725 1.00 0.00 C ATOM 481 C VAL A 108 10.524 3.522 -25.240 1.00 0.00 C ATOM 482 O VAL A 108 9.920 2.592 -24.705 1.00 0.00 O ATOM 483 CB VAL A 108 11.455 5.249 -23.692 1.00 0.00 C ATOM 484 CG1 VAL A 108 10.911 6.209 -22.630 1.00 0.00 C ATOM 485 CG2 VAL A 108 11.900 3.949 -23.019 1.00 0.00 C ATOM 0 H VAL A 108 8.719 4.334 -23.577 1.00 0.00 H new ATOM 0 HA VAL A 108 10.456 5.638 -25.565 1.00 0.00 H new ATOM 0 HB VAL A 108 12.306 5.707 -24.195 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.690 6.420 -21.897 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.599 7.139 -23.106 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.056 5.753 -22.131 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.676 4.166 -22.285 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.048 3.488 -22.520 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.293 3.266 -23.772 1.00 0.00 H new ATOM 495 N TYR A 109 11.350 3.358 -26.266 1.00 0.00 N ATOM 496 CA TYR A 109 11.600 2.037 -26.829 1.00 0.00 C ATOM 497 C TYR A 109 12.938 2.010 -27.559 1.00 0.00 C ATOM 498 O TYR A 109 13.488 3.056 -27.899 1.00 0.00 O ATOM 499 CB TYR A 109 10.472 1.661 -27.788 1.00 0.00 C ATOM 500 CG TYR A 109 10.390 2.686 -28.892 1.00 0.00 C ATOM 501 CD1 TYR A 109 9.740 3.906 -28.665 1.00 0.00 C ATOM 502 CD2 TYR A 109 10.968 2.422 -30.138 1.00 0.00 C ATOM 503 CE1 TYR A 109 9.664 4.859 -29.686 1.00 0.00 C ATOM 504 CE2 TYR A 109 10.891 3.377 -31.161 1.00 0.00 C ATOM 505 CZ TYR A 109 10.239 4.595 -30.934 1.00 0.00 C ATOM 506 OH TYR A 109 10.161 5.535 -31.941 1.00 0.00 O ATOM 0 H TYR A 109 11.855 4.118 -26.723 1.00 0.00 H new ATOM 0 HA TYR A 109 11.636 1.312 -26.016 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.652 0.671 -28.208 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.525 1.612 -27.251 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.297 4.111 -27.701 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.473 1.483 -30.312 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.161 5.799 -29.511 1.00 0.00 H new ATOM 0 HE2 TYR A 109 11.335 3.173 -32.124 1.00 0.00 H new ATOM 0 HH TYR A 109 10.612 5.195 -32.742 1.00 0.00 H new ATOM 516 N PHE A 110 13.454 0.807 -27.795 1.00 0.00 N ATOM 517 CA PHE A 110 14.736 0.657 -28.476 1.00 0.00 C ATOM 518 C PHE A 110 14.541 0.055 -29.861 1.00 0.00 C ATOM 519 O PHE A 110 13.664 -0.783 -30.065 1.00 0.00 O ATOM 520 CB PHE A 110 15.657 -0.242 -27.649 1.00 0.00 C ATOM 521 CG PHE A 110 14.845 -1.328 -26.985 1.00 0.00 C ATOM 522 CD1 PHE A 110 14.023 -1.018 -25.894 1.00 0.00 C ATOM 523 CD2 PHE A 110 14.909 -2.643 -27.461 1.00 0.00 C ATOM 524 CE1 PHE A 110 13.267 -2.022 -25.279 1.00 0.00 C ATOM 525 CE2 PHE A 110 14.153 -3.648 -26.845 1.00 0.00 C ATOM 526 CZ PHE A 110 13.332 -3.337 -25.754 1.00 0.00 C ATOM 0 H PHE A 110 13.009 -0.071 -27.527 1.00 0.00 H new ATOM 0 HA PHE A 110 15.189 1.642 -28.585 1.00 0.00 H new ATOM 0 HB2 PHE A 110 16.420 -0.685 -28.289 1.00 0.00 H new ATOM 0 HB3 PHE A 110 16.177 0.349 -26.895 1.00 0.00 H new ATOM 0 HD1 PHE A 110 13.973 -0.003 -25.527 1.00 0.00 H new ATOM 0 HD2 PHE A 110 15.541 -2.882 -28.303 1.00 0.00 H new ATOM 0 HE1 PHE A 110 12.633 -1.782 -24.438 1.00 0.00 H new ATOM 0 HE2 PHE A 110 14.203 -4.663 -27.211 1.00 0.00 H new ATOM 0 HZ PHE A 110 12.749 -4.112 -25.279 1.00 0.00 H new ATOM 536 N ILE A 111 15.360 0.498 -30.809 1.00 0.00 N ATOM 537 CA ILE A 111 15.262 0.004 -32.178 1.00 0.00 C ATOM 538 C ILE A 111 16.557 -0.682 -32.597 1.00 0.00 C ATOM 539 O ILE A 111 17.647 -0.138 -32.416 1.00 0.00 O ATOM 540 CB ILE A 111 14.972 1.164 -33.131 1.00 0.00 C ATOM 541 CG1 ILE A 111 13.774 1.963 -32.610 1.00 0.00 C ATOM 542 CG2 ILE A 111 14.645 0.614 -34.521 1.00 0.00 C ATOM 543 CD1 ILE A 111 13.518 3.160 -33.528 1.00 0.00 C ATOM 0 H ILE A 111 16.092 1.191 -30.657 1.00 0.00 H new ATOM 0 HA ILE A 111 14.449 -0.720 -32.223 1.00 0.00 H new ATOM 0 HB ILE A 111 15.847 1.811 -33.191 1.00 0.00 H new ATOM 0 HG12 ILE A 111 12.890 1.327 -32.569 1.00 0.00 H new ATOM 0 HG13 ILE A 111 13.967 2.306 -31.593 1.00 0.00 H new ATOM 0 HG21 ILE A 111 14.438 1.441 -35.200 1.00 0.00 H new ATOM 0 HG22 ILE A 111 15.494 0.041 -34.895 1.00 0.00 H new ATOM 0 HG23 ILE A 111 13.770 -0.033 -34.460 1.00 0.00 H new ATOM 0 HD11 ILE A 111 12.665 3.728 -33.156 1.00 0.00 H new ATOM 0 HD12 ILE A 111 14.400 3.800 -33.546 1.00 0.00 H new ATOM 0 HD13 ILE A 111 13.306 2.806 -34.537 1.00 0.00 H new ATOM 555 N SER A 112 16.432 -1.879 -33.158 1.00 0.00 N ATOM 556 CA SER A 112 17.600 -2.627 -33.606 1.00 0.00 C ATOM 557 C SER A 112 18.035 -2.156 -34.992 1.00 0.00 C ATOM 558 O SER A 112 17.266 -1.522 -35.716 1.00 0.00 O ATOM 559 CB SER A 112 17.276 -4.122 -33.656 1.00 0.00 C ATOM 560 OG SER A 112 17.582 -4.627 -34.950 1.00 0.00 O ATOM 0 H SER A 112 15.540 -2.350 -33.313 1.00 0.00 H new ATOM 0 HA SER A 112 18.412 -2.454 -32.900 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.851 -4.656 -32.900 1.00 0.00 H new ATOM 0 HB3 SER A 112 16.222 -4.285 -33.429 1.00 0.00 H new ATOM 0 HG SER A 112 17.377 -5.585 -34.984 1.00 0.00 H new ATOM 566 N PRO A 113 19.246 -2.457 -35.368 1.00 0.00 N ATOM 567 CA PRO A 113 19.804 -2.065 -36.696 1.00 0.00 C ATOM 568 C PRO A 113 19.043 -2.709 -37.852 1.00 0.00 C ATOM 569 O PRO A 113 19.051 -2.202 -38.972 1.00 0.00 O ATOM 570 CB PRO A 113 21.252 -2.564 -36.648 1.00 0.00 C ATOM 571 CG PRO A 113 21.274 -3.615 -35.589 1.00 0.00 C ATOM 572 CD PRO A 113 20.224 -3.205 -34.566 1.00 0.00 C ATOM 0 HA PRO A 113 19.727 -0.992 -36.870 1.00 0.00 H new ATOM 0 HB2 PRO A 113 21.560 -2.971 -37.611 1.00 0.00 H new ATOM 0 HB3 PRO A 113 21.940 -1.752 -36.410 1.00 0.00 H new ATOM 0 HG2 PRO A 113 21.048 -4.595 -36.008 1.00 0.00 H new ATOM 0 HG3 PRO A 113 22.260 -3.685 -35.129 1.00 0.00 H new ATOM 0 HD2 PRO A 113 19.771 -4.072 -34.085 1.00 0.00 H new ATOM 0 HD3 PRO A 113 20.652 -2.589 -33.775 1.00 0.00 H new ATOM 580 N GLN A 114 18.388 -3.829 -37.570 1.00 0.00 N ATOM 581 CA GLN A 114 17.626 -4.534 -38.594 1.00 0.00 C ATOM 582 C GLN A 114 16.356 -3.758 -38.940 1.00 0.00 C ATOM 583 O GLN A 114 15.535 -4.209 -39.739 1.00 0.00 O ATOM 584 CB GLN A 114 17.249 -5.932 -38.096 1.00 0.00 C ATOM 585 CG GLN A 114 16.994 -6.851 -39.293 1.00 0.00 C ATOM 586 CD GLN A 114 18.307 -7.141 -40.013 1.00 0.00 C ATOM 587 OE1 GLN A 114 19.275 -7.578 -39.389 1.00 0.00 O ATOM 588 NE2 GLN A 114 18.401 -6.919 -41.295 1.00 0.00 N ATOM 0 H GLN A 114 18.369 -4.266 -36.649 1.00 0.00 H new ATOM 0 HA GLN A 114 18.245 -4.621 -39.487 1.00 0.00 H new ATOM 0 HB2 GLN A 114 18.050 -6.337 -37.478 1.00 0.00 H new ATOM 0 HB3 GLN A 114 16.359 -5.878 -37.470 1.00 0.00 H new ATOM 0 HG2 GLN A 114 16.540 -7.783 -38.957 1.00 0.00 H new ATOM 0 HG3 GLN A 114 16.289 -6.382 -39.979 1.00 0.00 H new ATOM 0 HE21 GLN A 114 17.598 -6.557 -41.810 1.00 0.00 H new ATOM 0 HE22 GLN A 114 19.277 -7.107 -41.782 1.00 0.00 H new ATOM 597 N GLY A 115 16.197 -2.586 -38.331 1.00 0.00 N ATOM 598 CA GLY A 115 15.026 -1.758 -38.583 1.00 0.00 C ATOM 599 C GLY A 115 13.824 -2.265 -37.796 1.00 0.00 C ATOM 600 O GLY A 115 12.742 -1.678 -37.848 1.00 0.00 O ATOM 0 H GLY A 115 16.861 -2.192 -37.664 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.239 -0.726 -38.305 1.00 0.00 H new ATOM 0 HA3 GLY A 115 14.796 -1.761 -39.648 1.00 0.00 H new ATOM 604 N LEU A 116 14.019 -3.361 -37.068 1.00 0.00 N ATOM 605 CA LEU A 116 12.942 -3.940 -36.275 1.00 0.00 C ATOM 606 C LEU A 116 12.853 -3.256 -34.915 1.00 0.00 C ATOM 607 O LEU A 116 13.873 -2.919 -34.313 1.00 0.00 O ATOM 608 CB LEU A 116 13.184 -5.438 -36.080 1.00 0.00 C ATOM 609 CG LEU A 116 13.284 -6.121 -37.446 1.00 0.00 C ATOM 610 CD1 LEU A 116 13.580 -7.608 -37.253 1.00 0.00 C ATOM 611 CD2 LEU A 116 11.960 -5.959 -38.197 1.00 0.00 C ATOM 0 H LEU A 116 14.906 -3.862 -37.011 1.00 0.00 H new ATOM 0 HA LEU A 116 12.003 -3.791 -36.807 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.101 -5.598 -35.513 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.371 -5.876 -35.501 1.00 0.00 H new ATOM 0 HG LEU A 116 14.087 -5.662 -38.022 1.00 0.00 H new ATOM 0 HD11 LEU A 116 13.651 -8.094 -38.226 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.523 -7.725 -36.719 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.777 -8.067 -36.676 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.032 -6.446 -39.170 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.156 -6.417 -37.620 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.748 -4.899 -38.336 1.00 0.00 H new ATOM 623 N LYS A 117 11.632 -3.055 -34.438 1.00 0.00 N ATOM 624 CA LYS A 117 11.424 -2.402 -33.149 1.00 0.00 C ATOM 625 C LYS A 117 11.121 -3.435 -32.068 1.00 0.00 C ATOM 626 O LYS A 117 10.398 -4.403 -32.307 1.00 0.00 O ATOM 627 CB LYS A 117 10.263 -1.414 -33.250 1.00 0.00 C ATOM 628 CG LYS A 117 10.585 -0.347 -34.297 1.00 0.00 C ATOM 629 CD LYS A 117 9.314 0.423 -34.659 1.00 0.00 C ATOM 630 CE LYS A 117 8.842 1.235 -33.451 1.00 0.00 C ATOM 631 NZ LYS A 117 7.731 2.137 -33.863 1.00 0.00 N ATOM 0 H LYS A 117 10.776 -3.331 -34.918 1.00 0.00 H new ATOM 0 HA LYS A 117 12.336 -1.868 -32.880 1.00 0.00 H new ATOM 0 HB2 LYS A 117 9.348 -1.940 -33.522 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.086 -0.946 -32.282 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.339 0.339 -33.911 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.005 -0.814 -35.188 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.507 1.086 -35.502 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.533 -0.271 -34.971 1.00 0.00 H new ATOM 0 HE2 LYS A 117 8.507 0.566 -32.658 1.00 0.00 H new ATOM 0 HE3 LYS A 117 9.668 1.820 -33.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.410 2.689 -33.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 8.066 2.783 -34.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.940 1.569 -34.229 1.00 0.00 H new ATOM 645 N PHE A 118 11.675 -3.218 -30.879 1.00 0.00 N ATOM 646 CA PHE A 118 11.451 -4.130 -29.762 1.00 0.00 C ATOM 647 C PHE A 118 11.110 -3.349 -28.498 1.00 0.00 C ATOM 648 O PHE A 118 11.797 -2.392 -28.147 1.00 0.00 O ATOM 649 CB PHE A 118 12.695 -4.985 -29.525 1.00 0.00 C ATOM 650 CG PHE A 118 12.916 -5.895 -30.708 1.00 0.00 C ATOM 651 CD1 PHE A 118 12.110 -7.027 -30.879 1.00 0.00 C ATOM 652 CD2 PHE A 118 13.926 -5.610 -31.635 1.00 0.00 C ATOM 653 CE1 PHE A 118 12.313 -7.874 -31.975 1.00 0.00 C ATOM 654 CE2 PHE A 118 14.129 -6.456 -32.732 1.00 0.00 C ATOM 655 CZ PHE A 118 13.322 -7.588 -32.901 1.00 0.00 C ATOM 0 H PHE A 118 12.278 -2.424 -30.665 1.00 0.00 H new ATOM 0 HA PHE A 118 10.612 -4.781 -30.009 1.00 0.00 H new ATOM 0 HB2 PHE A 118 13.565 -4.346 -29.377 1.00 0.00 H new ATOM 0 HB3 PHE A 118 12.575 -5.575 -28.617 1.00 0.00 H new ATOM 0 HD1 PHE A 118 11.331 -7.247 -30.164 1.00 0.00 H new ATOM 0 HD2 PHE A 118 14.549 -4.737 -31.504 1.00 0.00 H new ATOM 0 HE1 PHE A 118 11.691 -8.747 -32.106 1.00 0.00 H new ATOM 0 HE2 PHE A 118 14.907 -6.236 -33.447 1.00 0.00 H new ATOM 0 HZ PHE A 118 13.479 -8.241 -33.747 1.00 0.00 H new ATOM 665 N ARG A 119 10.048 -3.768 -27.818 1.00 0.00 N ATOM 666 CA ARG A 119 9.620 -3.097 -26.597 1.00 0.00 C ATOM 667 C ARG A 119 9.466 -4.097 -25.456 1.00 0.00 C ATOM 668 O ARG A 119 9.101 -3.728 -24.340 1.00 0.00 O ATOM 669 CB ARG A 119 8.287 -2.385 -26.834 1.00 0.00 C ATOM 670 CG ARG A 119 7.274 -3.375 -27.415 1.00 0.00 C ATOM 671 CD ARG A 119 5.880 -2.747 -27.408 1.00 0.00 C ATOM 672 NE ARG A 119 4.894 -3.697 -27.912 1.00 0.00 N ATOM 673 CZ ARG A 119 3.592 -3.435 -27.850 1.00 0.00 C ATOM 674 NH1 ARG A 119 3.179 -2.311 -27.334 1.00 0.00 N ATOM 675 NH2 ARG A 119 2.732 -4.304 -28.301 1.00 0.00 N ATOM 0 H ARG A 119 9.471 -4.564 -28.090 1.00 0.00 H new ATOM 0 HA ARG A 119 10.382 -2.367 -26.323 1.00 0.00 H new ATOM 0 HB2 ARG A 119 7.912 -1.972 -25.898 1.00 0.00 H new ATOM 0 HB3 ARG A 119 8.427 -1.548 -27.518 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.557 -3.645 -28.432 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.272 -4.295 -26.830 1.00 0.00 H new ATOM 0 HD2 ARG A 119 5.616 -2.442 -26.395 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.876 -1.847 -28.023 1.00 0.00 H new ATOM 0 HE ARG A 119 5.209 -4.578 -28.319 1.00 0.00 H new ATOM 0 HH11 ARG A 119 3.854 -1.634 -26.979 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.180 -2.108 -27.286 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.058 -5.184 -28.701 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.733 -4.104 -28.254 1.00 0.00 H new ATOM 689 N SER A 120 9.749 -5.362 -25.743 1.00 0.00 N ATOM 690 CA SER A 120 9.633 -6.408 -24.734 1.00 0.00 C ATOM 691 C SER A 120 10.816 -7.367 -24.817 1.00 0.00 C ATOM 692 O SER A 120 11.269 -7.717 -25.908 1.00 0.00 O ATOM 693 CB SER A 120 8.331 -7.183 -24.936 1.00 0.00 C ATOM 694 OG SER A 120 8.242 -8.214 -23.961 1.00 0.00 O ATOM 0 H SER A 120 10.058 -5.687 -26.659 1.00 0.00 H new ATOM 0 HA SER A 120 9.629 -5.939 -23.750 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.477 -6.511 -24.850 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.301 -7.611 -25.938 1.00 0.00 H new ATOM 0 HG SER A 120 7.407 -8.712 -24.087 1.00 0.00 H new ATOM 700 N LYS A 121 11.310 -7.792 -23.658 1.00 0.00 N ATOM 701 CA LYS A 121 12.437 -8.715 -23.612 1.00 0.00 C ATOM 702 C LYS A 121 12.073 -10.038 -24.278 1.00 0.00 C ATOM 703 O LYS A 121 12.925 -10.689 -24.886 1.00 0.00 O ATOM 704 CB LYS A 121 12.846 -8.964 -22.159 1.00 0.00 C ATOM 705 CG LYS A 121 11.649 -9.509 -21.379 1.00 0.00 C ATOM 706 CD LYS A 121 12.039 -9.694 -19.909 1.00 0.00 C ATOM 707 CE LYS A 121 10.774 -9.865 -19.066 1.00 0.00 C ATOM 708 NZ LYS A 121 9.988 -11.024 -19.572 1.00 0.00 N ATOM 0 H LYS A 121 10.950 -7.514 -22.745 1.00 0.00 H new ATOM 0 HA LYS A 121 13.272 -8.270 -24.152 1.00 0.00 H new ATOM 0 HB2 LYS A 121 13.673 -9.673 -22.119 1.00 0.00 H new ATOM 0 HB3 LYS A 121 13.198 -8.038 -21.705 1.00 0.00 H new ATOM 0 HG2 LYS A 121 10.806 -8.823 -21.459 1.00 0.00 H new ATOM 0 HG3 LYS A 121 11.327 -10.460 -21.803 1.00 0.00 H new ATOM 0 HD2 LYS A 121 12.683 -10.566 -19.799 1.00 0.00 H new ATOM 0 HD3 LYS A 121 12.608 -8.832 -19.561 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.040 -10.022 -18.021 1.00 0.00 H new ATOM 0 HE3 LYS A 121 10.171 -8.958 -19.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.312 -11.330 -18.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 9.470 -10.744 -20.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.632 -11.809 -19.797 1.00 0.00 H new ATOM 722 N SER A 122 10.808 -10.428 -24.157 1.00 0.00 N ATOM 723 CA SER A 122 10.350 -11.680 -24.755 1.00 0.00 C ATOM 724 C SER A 122 10.457 -11.620 -26.275 1.00 0.00 C ATOM 725 O SER A 122 11.079 -12.478 -26.896 1.00 0.00 O ATOM 726 CB SER A 122 8.898 -11.940 -24.359 1.00 0.00 C ATOM 727 OG SER A 122 8.823 -12.131 -22.951 1.00 0.00 O ATOM 0 H SER A 122 10.089 -9.904 -23.658 1.00 0.00 H new ATOM 0 HA SER A 122 10.982 -12.489 -24.389 1.00 0.00 H new ATOM 0 HB2 SER A 122 8.271 -11.100 -24.658 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.519 -12.821 -24.878 1.00 0.00 H new ATOM 0 HG SER A 122 7.892 -12.296 -22.692 1.00 0.00 H new ATOM 733 N SER A 123 9.865 -10.588 -26.865 1.00 0.00 N ATOM 734 CA SER A 123 9.901 -10.430 -28.315 1.00 0.00 C ATOM 735 C SER A 123 11.334 -10.549 -28.818 1.00 0.00 C ATOM 736 O SER A 123 11.598 -11.236 -29.803 1.00 0.00 O ATOM 737 CB SER A 123 9.340 -9.058 -28.699 1.00 0.00 C ATOM 738 OG SER A 123 9.395 -8.904 -30.111 1.00 0.00 O ATOM 0 H SER A 123 9.359 -9.855 -26.368 1.00 0.00 H new ATOM 0 HA SER A 123 9.295 -11.213 -28.770 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.311 -8.963 -28.352 1.00 0.00 H new ATOM 0 HB3 SER A 123 9.914 -8.269 -28.213 1.00 0.00 H new ATOM 0 HG SER A 123 9.035 -8.027 -30.359 1.00 0.00 H new ATOM 744 N LEU A 124 12.256 -9.873 -28.139 1.00 0.00 N ATOM 745 CA LEU A 124 13.658 -9.911 -28.536 1.00 0.00 C ATOM 746 C LEU A 124 14.219 -11.325 -28.388 1.00 0.00 C ATOM 747 O LEU A 124 14.880 -11.837 -29.284 1.00 0.00 O ATOM 748 CB LEU A 124 14.470 -8.950 -27.664 1.00 0.00 C ATOM 749 CG LEU A 124 15.838 -8.714 -28.302 1.00 0.00 C ATOM 750 CD1 LEU A 124 15.693 -7.747 -29.482 1.00 0.00 C ATOM 751 CD2 LEU A 124 16.790 -8.110 -27.268 1.00 0.00 C ATOM 0 H LEU A 124 12.060 -9.298 -27.320 1.00 0.00 H new ATOM 0 HA LEU A 124 13.730 -9.609 -29.581 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.939 -8.004 -27.556 1.00 0.00 H new ATOM 0 HB3 LEU A 124 14.590 -9.364 -26.663 1.00 0.00 H new ATOM 0 HG LEU A 124 16.239 -9.664 -28.655 1.00 0.00 H new ATOM 0 HD11 LEU A 124 16.669 -7.579 -29.937 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.017 -8.175 -30.222 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.290 -6.798 -29.128 1.00 0.00 H new ATOM 0 HD21 LEU A 124 17.765 -7.943 -27.725 1.00 0.00 H new ATOM 0 HD22 LEU A 124 16.388 -7.161 -26.914 1.00 0.00 H new ATOM 0 HD23 LEU A 124 16.896 -8.796 -26.427 1.00 0.00 H new ATOM 763 N ALA A 125 13.938 -11.954 -27.252 1.00 0.00 N ATOM 764 CA ALA A 125 14.415 -13.308 -27.000 1.00 0.00 C ATOM 765 C ALA A 125 13.869 -14.270 -28.051 1.00 0.00 C ATOM 766 O ALA A 125 14.509 -15.265 -28.389 1.00 0.00 O ATOM 767 CB ALA A 125 13.980 -13.766 -25.606 1.00 0.00 C ATOM 0 H ALA A 125 13.386 -11.551 -26.495 1.00 0.00 H new ATOM 0 HA ALA A 125 15.504 -13.307 -27.055 1.00 0.00 H new ATOM 0 HB1 ALA A 125 14.341 -14.779 -25.427 1.00 0.00 H new ATOM 0 HB2 ALA A 125 14.397 -13.094 -24.856 1.00 0.00 H new ATOM 0 HB3 ALA A 125 12.892 -13.752 -25.541 1.00 0.00 H new ATOM 773 N ASN A 126 12.678 -13.968 -28.560 1.00 0.00 N ATOM 774 CA ASN A 126 12.053 -14.810 -29.572 1.00 0.00 C ATOM 775 C ASN A 126 12.616 -14.497 -30.954 1.00 0.00 C ATOM 776 O ASN A 126 12.931 -15.398 -31.723 1.00 0.00 O ATOM 777 CB ASN A 126 10.540 -14.594 -29.572 1.00 0.00 C ATOM 778 CG ASN A 126 9.876 -15.556 -30.551 1.00 0.00 C ATOM 779 OD1 ASN A 126 10.559 -16.216 -31.335 1.00 0.00 O ATOM 780 ND2 ASN A 126 8.576 -15.676 -30.553 1.00 0.00 N ATOM 0 H ASN A 126 12.130 -13.151 -28.290 1.00 0.00 H new ATOM 0 HA ASN A 126 12.269 -15.851 -29.333 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.142 -14.750 -28.569 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.311 -13.565 -29.849 1.00 0.00 H new ATOM 0 HD21 ASN A 126 8.124 -16.317 -31.205 1.00 0.00 H new ATOM 0 HD22 ASN A 126 8.012 -15.128 -29.903 1.00 0.00 H new ATOM 787 N TYR A 127 12.739 -13.211 -31.258 1.00 0.00 N ATOM 788 CA TYR A 127 13.273 -12.785 -32.546 1.00 0.00 C ATOM 789 C TYR A 127 14.700 -13.281 -32.727 1.00 0.00 C ATOM 790 O TYR A 127 15.059 -13.794 -33.790 1.00 0.00 O ATOM 791 CB TYR A 127 13.236 -11.259 -32.650 1.00 0.00 C ATOM 792 CG TYR A 127 14.188 -10.807 -33.732 1.00 0.00 C ATOM 793 CD1 TYR A 127 13.903 -11.069 -35.076 1.00 0.00 C ATOM 794 CD2 TYR A 127 15.361 -10.123 -33.386 1.00 0.00 C ATOM 795 CE1 TYR A 127 14.790 -10.648 -36.075 1.00 0.00 C ATOM 796 CE2 TYR A 127 16.249 -9.702 -34.383 1.00 0.00 C ATOM 797 CZ TYR A 127 15.962 -9.965 -35.728 1.00 0.00 C ATOM 798 OH TYR A 127 16.835 -9.551 -36.714 1.00 0.00 O ATOM 0 H TYR A 127 12.478 -12.448 -30.634 1.00 0.00 H new ATOM 0 HA TYR A 127 12.654 -13.214 -33.334 1.00 0.00 H new ATOM 0 HB2 TYR A 127 12.224 -10.923 -32.877 1.00 0.00 H new ATOM 0 HB3 TYR A 127 13.514 -10.812 -31.696 1.00 0.00 H new ATOM 0 HD1 TYR A 127 12.999 -11.596 -35.344 1.00 0.00 H new ATOM 0 HD2 TYR A 127 15.580 -9.920 -32.348 1.00 0.00 H new ATOM 0 HE1 TYR A 127 14.570 -10.850 -37.113 1.00 0.00 H new ATOM 0 HE2 TYR A 127 17.153 -9.176 -34.115 1.00 0.00 H new ATOM 0 HH TYR A 127 17.597 -9.091 -36.304 1.00 0.00 H new ATOM 808 N LEU A 128 15.515 -13.111 -31.693 1.00 0.00 N ATOM 809 CA LEU A 128 16.911 -13.529 -31.762 1.00 0.00 C ATOM 810 C LEU A 128 17.013 -15.026 -32.025 1.00 0.00 C ATOM 811 O LEU A 128 17.738 -15.460 -32.919 1.00 0.00 O ATOM 812 CB LEU A 128 17.613 -13.197 -30.440 1.00 0.00 C ATOM 813 CG LEU A 128 17.717 -11.679 -30.283 1.00 0.00 C ATOM 814 CD1 LEU A 128 18.227 -11.345 -28.881 1.00 0.00 C ATOM 815 CD2 LEU A 128 18.686 -11.118 -31.325 1.00 0.00 C ATOM 0 H LEU A 128 15.238 -12.691 -30.805 1.00 0.00 H new ATOM 0 HA LEU A 128 17.392 -12.995 -32.582 1.00 0.00 H new ATOM 0 HB2 LEU A 128 17.057 -13.622 -29.604 1.00 0.00 H new ATOM 0 HB3 LEU A 128 18.607 -13.644 -30.422 1.00 0.00 H new ATOM 0 HG LEU A 128 16.733 -11.233 -30.429 1.00 0.00 H new ATOM 0 HD11 LEU A 128 18.301 -10.263 -28.769 1.00 0.00 H new ATOM 0 HD12 LEU A 128 17.534 -11.740 -28.138 1.00 0.00 H new ATOM 0 HD13 LEU A 128 19.210 -11.793 -28.735 1.00 0.00 H new ATOM 0 HD21 LEU A 128 18.758 -10.036 -31.210 1.00 0.00 H new ATOM 0 HD22 LEU A 128 19.671 -11.564 -31.184 1.00 0.00 H new ATOM 0 HD23 LEU A 128 18.321 -11.353 -32.325 1.00 0.00 H new ATOM 827 N HIS A 129 16.272 -15.811 -31.252 1.00 0.00 N ATOM 828 CA HIS A 129 16.283 -17.257 -31.414 1.00 0.00 C ATOM 829 C HIS A 129 15.621 -17.655 -32.730 1.00 0.00 C ATOM 830 O HIS A 129 15.953 -18.684 -33.318 1.00 0.00 O ATOM 831 CB HIS A 129 15.547 -17.922 -30.249 1.00 0.00 C ATOM 832 CG HIS A 129 15.587 -19.417 -30.416 1.00 0.00 C ATOM 833 ND1 HIS A 129 16.754 -20.149 -30.253 1.00 0.00 N ATOM 834 CD2 HIS A 129 14.612 -20.331 -30.729 1.00 0.00 C ATOM 835 CE1 HIS A 129 16.455 -21.443 -30.469 1.00 0.00 C ATOM 836 NE2 HIS A 129 15.162 -21.610 -30.762 1.00 0.00 N ATOM 0 H HIS A 129 15.659 -15.471 -30.511 1.00 0.00 H new ATOM 0 HA HIS A 129 17.320 -17.592 -31.426 1.00 0.00 H new ATOM 0 HB2 HIS A 129 16.010 -17.639 -29.304 1.00 0.00 H new ATOM 0 HB3 HIS A 129 14.514 -17.577 -30.214 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.576 -20.094 -30.921 1.00 0.00 H new ATOM 0 HE1 HIS A 129 17.172 -22.248 -30.412 1.00 0.00 H new ATOM 0 HE2 HIS A 129 14.681 -22.486 -30.966 1.00 0.00 H new ATOM 845 N LYS A 130 14.674 -16.839 -33.178 1.00 0.00 N ATOM 846 CA LYS A 130 13.962 -17.118 -34.416 1.00 0.00 C ATOM 847 C LYS A 130 14.888 -16.989 -35.620 1.00 0.00 C ATOM 848 O LYS A 130 14.862 -17.822 -36.527 1.00 0.00 O ATOM 849 CB LYS A 130 12.782 -16.155 -34.570 1.00 0.00 C ATOM 850 CG LYS A 130 12.017 -16.481 -35.855 1.00 0.00 C ATOM 851 CD LYS A 130 10.802 -15.558 -35.973 1.00 0.00 C ATOM 852 CE LYS A 130 10.094 -15.815 -37.305 1.00 0.00 C ATOM 853 NZ LYS A 130 9.564 -17.208 -37.325 1.00 0.00 N ATOM 0 H LYS A 130 14.384 -15.984 -32.704 1.00 0.00 H new ATOM 0 HA LYS A 130 13.593 -18.143 -34.371 1.00 0.00 H new ATOM 0 HB2 LYS A 130 12.118 -16.237 -33.709 1.00 0.00 H new ATOM 0 HB3 LYS A 130 13.141 -15.126 -34.600 1.00 0.00 H new ATOM 0 HG2 LYS A 130 12.668 -16.356 -36.720 1.00 0.00 H new ATOM 0 HG3 LYS A 130 11.696 -17.523 -35.846 1.00 0.00 H new ATOM 0 HD2 LYS A 130 10.116 -15.734 -35.144 1.00 0.00 H new ATOM 0 HD3 LYS A 130 11.116 -14.516 -35.911 1.00 0.00 H new ATOM 0 HE2 LYS A 130 9.280 -15.103 -37.440 1.00 0.00 H new ATOM 0 HE3 LYS A 130 10.788 -15.666 -38.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 8.852 -17.298 -38.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 10.343 -17.873 -37.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.127 -17.426 -36.407 1.00 0.00 H new ATOM 867 N ASN A 131 15.697 -15.936 -35.627 1.00 0.00 N ATOM 868 CA ASN A 131 16.612 -15.698 -36.736 1.00 0.00 C ATOM 869 C ASN A 131 17.830 -16.608 -36.632 1.00 0.00 C ATOM 870 O ASN A 131 18.628 -16.700 -37.565 1.00 0.00 O ATOM 871 CB ASN A 131 17.065 -14.234 -36.730 1.00 0.00 C ATOM 872 CG ASN A 131 17.687 -13.874 -38.076 1.00 0.00 C ATOM 873 OD1 ASN A 131 17.250 -12.830 -38.728 1.00 0.00 O flip ATOM 874 ND2 ASN A 131 18.590 -14.563 -38.549 1.00 0.00 N flip ATOM 0 H ASN A 131 15.738 -15.239 -34.884 1.00 0.00 H new ATOM 0 HA ASN A 131 16.090 -15.916 -37.668 1.00 0.00 H new ATOM 0 HB2 ASN A 131 16.215 -13.583 -36.527 1.00 0.00 H new ATOM 0 HB3 ASN A 131 17.788 -14.072 -35.931 1.00 0.00 H new ATOM 0 HD21 ASN A 131 18.930 -15.378 -38.039 1.00 0.00 H new ATOM 0 HD22 ASN A 131 18.998 -14.319 -39.451 1.00 0.00 H new ATOM 881 N GLY A 132 17.962 -17.281 -35.497 1.00 0.00 N ATOM 882 CA GLY A 132 19.087 -18.183 -35.281 1.00 0.00 C ATOM 883 C GLY A 132 20.259 -17.447 -34.640 1.00 0.00 C ATOM 884 O GLY A 132 21.232 -18.066 -34.208 1.00 0.00 O ATOM 0 H GLY A 132 17.309 -17.221 -34.716 1.00 0.00 H new ATOM 0 HA2 GLY A 132 18.778 -19.010 -34.641 1.00 0.00 H new ATOM 0 HA3 GLY A 132 19.400 -18.615 -36.232 1.00 0.00 H new ATOM 888 N GLU A 133 20.159 -16.122 -34.578 1.00 0.00 N ATOM 889 CA GLU A 133 21.217 -15.314 -33.981 1.00 0.00 C ATOM 890 C GLU A 133 21.014 -15.205 -32.474 1.00 0.00 C ATOM 891 O GLU A 133 20.015 -14.653 -32.012 1.00 0.00 O ATOM 892 CB GLU A 133 21.218 -13.916 -34.601 1.00 0.00 C ATOM 893 CG GLU A 133 22.388 -13.108 -34.037 1.00 0.00 C ATOM 894 CD GLU A 133 22.435 -11.733 -34.692 1.00 0.00 C ATOM 895 OE1 GLU A 133 21.581 -11.463 -35.521 1.00 0.00 O ATOM 896 OE2 GLU A 133 23.323 -10.968 -34.355 1.00 0.00 O ATOM 0 H GLU A 133 19.364 -15.589 -34.930 1.00 0.00 H new ATOM 0 HA GLU A 133 22.175 -15.796 -34.175 1.00 0.00 H new ATOM 0 HB2 GLU A 133 21.301 -13.988 -35.685 1.00 0.00 H new ATOM 0 HB3 GLU A 133 20.276 -13.411 -34.386 1.00 0.00 H new ATOM 0 HG2 GLU A 133 22.281 -13.002 -32.957 1.00 0.00 H new ATOM 0 HG3 GLU A 133 23.325 -13.637 -34.214 1.00 0.00 H new ATOM 903 N THR A 134 21.966 -15.738 -31.713 1.00 0.00 N ATOM 904 CA THR A 134 21.877 -15.701 -30.257 1.00 0.00 C ATOM 905 C THR A 134 23.042 -14.911 -29.668 1.00 0.00 C ATOM 906 O THR A 134 23.282 -14.948 -28.462 1.00 0.00 O ATOM 907 CB THR A 134 21.888 -17.124 -29.696 1.00 0.00 C ATOM 908 OG1 THR A 134 23.222 -17.616 -29.675 1.00 0.00 O ATOM 909 CG2 THR A 134 21.030 -18.030 -30.584 1.00 0.00 C ATOM 0 H THR A 134 22.801 -16.197 -32.077 1.00 0.00 H new ATOM 0 HA THR A 134 20.944 -15.210 -29.982 1.00 0.00 H new ATOM 0 HB THR A 134 21.485 -17.116 -28.683 1.00 0.00 H new ATOM 0 HG1 THR A 134 23.229 -18.527 -29.314 1.00 0.00 H new ATOM 0 HG21 THR A 134 21.038 -19.044 -30.184 1.00 0.00 H new ATOM 0 HG22 THR A 134 20.006 -17.656 -30.604 1.00 0.00 H new ATOM 0 HG23 THR A 134 21.434 -18.036 -31.596 1.00 0.00 H new ATOM 917 N SER A 135 23.763 -14.200 -30.526 1.00 0.00 N ATOM 918 CA SER A 135 24.901 -13.402 -30.079 1.00 0.00 C ATOM 919 C SER A 135 24.418 -12.116 -29.415 1.00 0.00 C ATOM 920 O SER A 135 25.137 -11.116 -29.380 1.00 0.00 O ATOM 921 CB SER A 135 25.797 -13.058 -31.269 1.00 0.00 C ATOM 922 OG SER A 135 25.062 -12.269 -32.199 1.00 0.00 O ATOM 0 H SER A 135 23.583 -14.158 -31.529 1.00 0.00 H new ATOM 0 HA SER A 135 25.470 -13.984 -29.354 1.00 0.00 H new ATOM 0 HB2 SER A 135 26.679 -12.514 -30.930 1.00 0.00 H new ATOM 0 HB3 SER A 135 26.151 -13.971 -31.749 1.00 0.00 H new ATOM 0 HG SER A 135 25.634 -12.045 -32.963 1.00 0.00 H new ATOM 928 N LEU A 136 23.190 -12.144 -28.896 1.00 0.00 N ATOM 929 CA LEU A 136 22.623 -10.974 -28.244 1.00 0.00 C ATOM 930 C LEU A 136 21.729 -11.385 -27.078 1.00 0.00 C ATOM 931 O LEU A 136 20.936 -12.320 -27.195 1.00 0.00 O ATOM 932 CB LEU A 136 21.809 -10.164 -29.255 1.00 0.00 C ATOM 933 CG LEU A 136 21.921 -8.677 -28.927 1.00 0.00 C ATOM 934 CD1 LEU A 136 23.245 -8.132 -29.470 1.00 0.00 C ATOM 935 CD2 LEU A 136 20.758 -7.922 -29.573 1.00 0.00 C ATOM 0 H LEU A 136 22.577 -12.959 -28.916 1.00 0.00 H new ATOM 0 HA LEU A 136 23.439 -10.364 -27.857 1.00 0.00 H new ATOM 0 HB2 LEU A 136 22.173 -10.353 -30.265 1.00 0.00 H new ATOM 0 HB3 LEU A 136 20.765 -10.475 -29.229 1.00 0.00 H new ATOM 0 HG LEU A 136 21.887 -8.541 -27.846 1.00 0.00 H new ATOM 0 HD11 LEU A 136 23.325 -7.070 -29.236 1.00 0.00 H new ATOM 0 HD12 LEU A 136 24.075 -8.668 -29.010 1.00 0.00 H new ATOM 0 HD13 LEU A 136 23.279 -8.269 -30.551 1.00 0.00 H new ATOM 0 HD21 LEU A 136 20.838 -6.861 -29.339 1.00 0.00 H new ATOM 0 HD22 LEU A 136 20.791 -8.058 -30.654 1.00 0.00 H new ATOM 0 HD23 LEU A 136 19.814 -8.308 -29.187 1.00 0.00 H new ATOM 947 N LYS A 137 21.863 -10.685 -25.959 1.00 0.00 N ATOM 948 CA LYS A 137 21.065 -10.991 -24.783 1.00 0.00 C ATOM 949 C LYS A 137 19.965 -9.946 -24.595 1.00 0.00 C ATOM 950 O LYS A 137 20.145 -8.777 -24.930 1.00 0.00 O ATOM 951 CB LYS A 137 21.953 -11.023 -23.536 1.00 0.00 C ATOM 952 CG LYS A 137 23.361 -11.470 -23.928 1.00 0.00 C ATOM 953 CD LYS A 137 24.236 -11.553 -22.676 1.00 0.00 C ATOM 954 CE LYS A 137 25.643 -12.013 -23.069 1.00 0.00 C ATOM 955 NZ LYS A 137 26.262 -10.999 -23.969 1.00 0.00 N ATOM 0 H LYS A 137 22.512 -9.907 -25.843 1.00 0.00 H new ATOM 0 HA LYS A 137 20.606 -11.969 -24.927 1.00 0.00 H new ATOM 0 HB2 LYS A 137 21.988 -10.036 -23.075 1.00 0.00 H new ATOM 0 HB3 LYS A 137 21.535 -11.706 -22.796 1.00 0.00 H new ATOM 0 HG2 LYS A 137 23.322 -12.441 -24.422 1.00 0.00 H new ATOM 0 HG3 LYS A 137 23.792 -10.767 -24.640 1.00 0.00 H new ATOM 0 HD2 LYS A 137 24.283 -10.580 -22.186 1.00 0.00 H new ATOM 0 HD3 LYS A 137 23.800 -12.250 -21.960 1.00 0.00 H new ATOM 0 HE2 LYS A 137 26.256 -12.147 -22.178 1.00 0.00 H new ATOM 0 HE3 LYS A 137 25.595 -12.979 -23.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 27.295 -11.118 -23.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 25.901 -11.127 -24.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 26.022 -10.044 -23.633 1.00 0.00 H new ATOM 969 N PRO A 138 18.845 -10.347 -24.060 1.00 0.00 N ATOM 970 CA PRO A 138 17.694 -9.433 -23.806 1.00 0.00 C ATOM 971 C PRO A 138 18.009 -8.397 -22.733 1.00 0.00 C ATOM 972 O PRO A 138 17.309 -7.393 -22.599 1.00 0.00 O ATOM 973 CB PRO A 138 16.574 -10.374 -23.355 1.00 0.00 C ATOM 974 CG PRO A 138 17.258 -11.600 -22.857 1.00 0.00 C ATOM 975 CD PRO A 138 18.548 -11.724 -23.639 1.00 0.00 C ATOM 0 HA PRO A 138 17.431 -8.849 -24.688 1.00 0.00 H new ATOM 0 HB2 PRO A 138 15.969 -9.917 -22.572 1.00 0.00 H new ATOM 0 HB3 PRO A 138 15.902 -10.608 -24.181 1.00 0.00 H new ATOM 0 HG2 PRO A 138 17.459 -11.525 -21.788 1.00 0.00 H new ATOM 0 HG3 PRO A 138 16.631 -12.480 -23.002 1.00 0.00 H new ATOM 0 HD2 PRO A 138 19.349 -12.135 -23.024 1.00 0.00 H new ATOM 0 HD3 PRO A 138 18.432 -12.387 -24.496 1.00 0.00 H new ATOM 983 N GLU A 139 19.065 -8.649 -21.967 1.00 0.00 N ATOM 984 CA GLU A 139 19.465 -7.732 -20.906 1.00 0.00 C ATOM 985 C GLU A 139 20.436 -6.685 -21.443 1.00 0.00 C ATOM 986 O GLU A 139 20.967 -5.869 -20.688 1.00 0.00 O ATOM 987 CB GLU A 139 20.127 -8.507 -19.766 1.00 0.00 C ATOM 988 CG GLU A 139 19.096 -9.430 -19.112 1.00 0.00 C ATOM 989 CD GLU A 139 19.750 -10.227 -17.988 1.00 0.00 C ATOM 990 OE1 GLU A 139 20.953 -10.115 -17.831 1.00 0.00 O ATOM 991 OE2 GLU A 139 19.035 -10.941 -17.302 1.00 0.00 O ATOM 0 H GLU A 139 19.656 -9.475 -22.060 1.00 0.00 H new ATOM 0 HA GLU A 139 18.574 -7.228 -20.532 1.00 0.00 H new ATOM 0 HB2 GLU A 139 20.964 -9.091 -20.147 1.00 0.00 H new ATOM 0 HB3 GLU A 139 20.531 -7.815 -19.028 1.00 0.00 H new ATOM 0 HG2 GLU A 139 18.267 -8.842 -18.718 1.00 0.00 H new ATOM 0 HG3 GLU A 139 18.679 -10.109 -19.856 1.00 0.00 H new ATOM 998 N ASP A 140 20.676 -6.721 -22.752 1.00 0.00 N ATOM 999 CA ASP A 140 21.592 -5.776 -23.376 1.00 0.00 C ATOM 1000 C ASP A 140 20.939 -4.406 -23.523 1.00 0.00 C ATOM 1001 O ASP A 140 21.620 -3.380 -23.528 1.00 0.00 O ATOM 1002 CB ASP A 140 22.015 -6.291 -24.753 1.00 0.00 C ATOM 1003 CG ASP A 140 20.804 -6.381 -25.672 1.00 0.00 C ATOM 1004 OD1 ASP A 140 19.703 -6.195 -25.189 1.00 0.00 O ATOM 1005 OD2 ASP A 140 20.994 -6.633 -26.849 1.00 0.00 O ATOM 0 H ASP A 140 20.251 -7.390 -23.395 1.00 0.00 H new ATOM 0 HA ASP A 140 22.470 -5.678 -22.737 1.00 0.00 H new ATOM 0 HB2 ASP A 140 22.761 -5.625 -25.186 1.00 0.00 H new ATOM 0 HB3 ASP A 140 22.481 -7.271 -24.656 1.00 0.00 H new ATOM 1010 N PHE A 141 19.616 -4.396 -23.650 1.00 0.00 N ATOM 1011 CA PHE A 141 18.883 -3.146 -23.806 1.00 0.00 C ATOM 1012 C PHE A 141 18.197 -2.762 -22.502 1.00 0.00 C ATOM 1013 O PHE A 141 17.618 -3.611 -21.822 1.00 0.00 O ATOM 1014 CB PHE A 141 17.834 -3.290 -24.912 1.00 0.00 C ATOM 1015 CG PHE A 141 16.653 -4.070 -24.386 1.00 0.00 C ATOM 1016 CD1 PHE A 141 15.607 -3.403 -23.738 1.00 0.00 C ATOM 1017 CD2 PHE A 141 16.600 -5.460 -24.551 1.00 0.00 C ATOM 1018 CE1 PHE A 141 14.511 -4.124 -23.250 1.00 0.00 C ATOM 1019 CE2 PHE A 141 15.505 -6.181 -24.065 1.00 0.00 C ATOM 1020 CZ PHE A 141 14.459 -5.514 -23.414 1.00 0.00 C ATOM 0 H PHE A 141 19.033 -5.233 -23.648 1.00 0.00 H new ATOM 0 HA PHE A 141 19.591 -2.363 -24.076 1.00 0.00 H new ATOM 0 HB2 PHE A 141 17.511 -2.306 -25.252 1.00 0.00 H new ATOM 0 HB3 PHE A 141 18.266 -3.800 -25.773 1.00 0.00 H new ATOM 0 HD1 PHE A 141 15.646 -2.331 -23.614 1.00 0.00 H new ATOM 0 HD2 PHE A 141 17.405 -5.975 -25.054 1.00 0.00 H new ATOM 0 HE1 PHE A 141 13.706 -3.609 -22.747 1.00 0.00 H new ATOM 0 HE2 PHE A 141 15.466 -7.253 -24.192 1.00 0.00 H new ATOM 0 HZ PHE A 141 13.613 -6.071 -23.039 1.00 0.00 H new ATOM 1030 N ASP A 142 18.262 -1.479 -22.159 1.00 0.00 N ATOM 1031 CA ASP A 142 17.636 -0.991 -20.933 1.00 0.00 C ATOM 1032 C ASP A 142 16.612 0.093 -21.251 1.00 0.00 C ATOM 1033 O ASP A 142 16.974 1.230 -21.555 1.00 0.00 O ATOM 1034 CB ASP A 142 18.701 -0.431 -19.990 1.00 0.00 C ATOM 1035 CG ASP A 142 18.063 -0.028 -18.666 1.00 0.00 C ATOM 1036 OD1 ASP A 142 18.001 -0.868 -17.783 1.00 0.00 O ATOM 1037 OD2 ASP A 142 17.648 1.114 -18.554 1.00 0.00 O ATOM 0 H ASP A 142 18.738 -0.763 -22.707 1.00 0.00 H new ATOM 0 HA ASP A 142 17.127 -1.825 -20.449 1.00 0.00 H new ATOM 0 HB2 ASP A 142 19.475 -1.178 -19.818 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.186 0.431 -20.447 1.00 0.00 H new ATOM 1042 N PHE A 143 15.334 -0.267 -21.185 1.00 0.00 N ATOM 1043 CA PHE A 143 14.267 0.685 -21.473 1.00 0.00 C ATOM 1044 C PHE A 143 14.257 1.808 -20.440 1.00 0.00 C ATOM 1045 O PHE A 143 13.885 2.941 -20.744 1.00 0.00 O ATOM 1046 CB PHE A 143 12.914 -0.029 -21.465 1.00 0.00 C ATOM 1047 CG PHE A 143 12.465 -0.242 -20.039 1.00 0.00 C ATOM 1048 CD1 PHE A 143 12.873 -1.383 -19.339 1.00 0.00 C ATOM 1049 CD2 PHE A 143 11.642 0.704 -19.417 1.00 0.00 C ATOM 1050 CE1 PHE A 143 12.455 -1.581 -18.018 1.00 0.00 C ATOM 1051 CE2 PHE A 143 11.224 0.507 -18.096 1.00 0.00 C ATOM 1052 CZ PHE A 143 11.631 -0.635 -17.395 1.00 0.00 C ATOM 0 H PHE A 143 15.014 -1.203 -20.937 1.00 0.00 H new ATOM 0 HA PHE A 143 14.446 1.115 -22.459 1.00 0.00 H new ATOM 0 HB2 PHE A 143 12.175 0.563 -22.005 1.00 0.00 H new ATOM 0 HB3 PHE A 143 12.993 -0.987 -21.979 1.00 0.00 H new ATOM 0 HD1 PHE A 143 13.511 -2.111 -19.818 1.00 0.00 H new ATOM 0 HD2 PHE A 143 11.330 1.586 -19.956 1.00 0.00 H new ATOM 0 HE1 PHE A 143 12.768 -2.463 -17.479 1.00 0.00 H new ATOM 0 HE2 PHE A 143 10.587 1.236 -17.617 1.00 0.00 H new ATOM 0 HZ PHE A 143 11.310 -0.786 -16.375 1.00 0.00 H new