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 114 GLN : amide:sc= -0.997 X(o=-0.49,f=-0.42) USER MOD Set 1.2: A 127 TYR OH : rot -80:sc= 0.511 USER MOD Single : A 88 CYS SG : rot 10:sc= 0.229 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN :FLIP amide:sc= 0.106 F(o=-0.81,f=0.11) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -160:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -1.59! USER MOD Single : A 112 SER OG : rot -99:sc= 0.152 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -39:sc= 0.509 USER MOD Single : A 126 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.65) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 130 LYS NZ :NH3+ -161:sc= -0.069 (180deg=-0.573) USER MOD Single : A 131 ASN : amide:sc= -0.666 K(o=-0.67,f=-1.7!) 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+ 168:sc= -0.107 (180deg=-0.32) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 24.655 0.015 -25.387 1.00 0.00 N ATOM 135 CA PRO A 87 25.713 -0.629 -26.225 1.00 0.00 C ATOM 136 C PRO A 87 25.728 -0.079 -27.649 1.00 0.00 C ATOM 137 O PRO A 87 24.694 0.324 -28.182 1.00 0.00 O ATOM 138 CB PRO A 87 25.328 -2.112 -26.224 1.00 0.00 C ATOM 139 CG PRO A 87 24.482 -2.298 -25.011 1.00 0.00 C ATOM 140 CD PRO A 87 23.740 -0.979 -24.809 1.00 0.00 C ATOM 0 HA PRO A 87 26.713 -0.442 -25.833 1.00 0.00 H new ATOM 0 HB2 PRO A 87 24.781 -2.377 -27.129 1.00 0.00 H new ATOM 0 HB3 PRO A 87 26.213 -2.748 -26.188 1.00 0.00 H new ATOM 0 HG2 PRO A 87 23.782 -3.123 -25.146 1.00 0.00 H new ATOM 0 HG3 PRO A 87 25.094 -2.539 -24.142 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.774 -0.979 -25.315 1.00 0.00 H new ATOM 0 HD3 PRO A 87 23.547 -0.783 -23.754 1.00 0.00 H new ATOM 148 N CYS A 88 26.913 -0.053 -28.254 1.00 0.00 N ATOM 149 CA CYS A 88 27.052 0.463 -29.612 1.00 0.00 C ATOM 150 C CYS A 88 26.219 -0.366 -30.585 1.00 0.00 C ATOM 151 O CYS A 88 25.952 -1.542 -30.343 1.00 0.00 O ATOM 152 CB CYS A 88 28.523 0.423 -30.034 1.00 0.00 C ATOM 153 SG CYS A 88 29.051 -1.299 -30.217 1.00 0.00 S ATOM 0 H CYS A 88 27.782 -0.379 -27.831 1.00 0.00 H new ATOM 0 HA CYS A 88 26.695 1.493 -29.631 1.00 0.00 H new ATOM 0 HB2 CYS A 88 28.657 0.958 -30.974 1.00 0.00 H new ATOM 0 HB3 CYS A 88 29.140 0.927 -29.290 1.00 0.00 H new ATOM 0 HG CYS A 88 28.015 -2.081 -30.145 1.00 0.00 H new ATOM 159 N GLY A 89 25.809 0.258 -31.682 1.00 0.00 N ATOM 160 CA GLY A 89 25.005 -0.426 -32.689 1.00 0.00 C ATOM 161 C GLY A 89 23.520 -0.314 -32.364 1.00 0.00 C ATOM 162 O GLY A 89 22.671 -0.590 -33.208 1.00 0.00 O ATOM 0 H GLY A 89 26.018 1.233 -31.897 1.00 0.00 H new ATOM 0 HA2 GLY A 89 25.200 0.005 -33.671 1.00 0.00 H new ATOM 0 HA3 GLY A 89 25.293 -1.476 -32.739 1.00 0.00 H new ATOM 166 N TRP A 90 23.217 0.103 -31.139 1.00 0.00 N ATOM 167 CA TRP A 90 21.832 0.257 -30.706 1.00 0.00 C ATOM 168 C TRP A 90 21.489 1.729 -30.517 1.00 0.00 C ATOM 169 O TRP A 90 22.358 2.534 -30.179 1.00 0.00 O ATOM 170 CB TRP A 90 21.601 -0.498 -29.399 1.00 0.00 C ATOM 171 CG TRP A 90 21.667 -1.970 -29.657 1.00 0.00 C ATOM 172 CD1 TRP A 90 22.790 -2.721 -29.578 1.00 0.00 C ATOM 173 CD2 TRP A 90 20.590 -2.879 -30.025 1.00 0.00 C ATOM 174 NE1 TRP A 90 22.471 -4.033 -29.879 1.00 0.00 N ATOM 175 CE2 TRP A 90 21.127 -4.181 -30.160 1.00 0.00 C ATOM 176 CE3 TRP A 90 19.213 -2.703 -30.254 1.00 0.00 C ATOM 177 CZ2 TRP A 90 20.327 -5.270 -30.510 1.00 0.00 C ATOM 178 CZ3 TRP A 90 18.405 -3.796 -30.605 1.00 0.00 C ATOM 179 CH2 TRP A 90 18.961 -5.077 -30.733 1.00 0.00 C ATOM 0 H TRP A 90 23.910 0.340 -30.429 1.00 0.00 H new ATOM 0 HA TRP A 90 21.184 -0.157 -31.479 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.353 -0.213 -28.664 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.630 -0.234 -28.981 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.774 -2.356 -29.322 1.00 0.00 H new ATOM 0 HE1 TRP A 90 23.146 -4.798 -29.892 1.00 0.00 H new ATOM 0 HE3 TRP A 90 18.775 -1.721 -30.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 20.760 -6.254 -30.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 17.349 -3.649 -30.777 1.00 0.00 H new ATOM 0 HH2 TRP A 90 18.334 -5.914 -31.004 1.00 0.00 H new ATOM 190 N GLU A 91 20.221 2.073 -30.733 1.00 0.00 N ATOM 191 CA GLU A 91 19.776 3.454 -30.577 1.00 0.00 C ATOM 192 C GLU A 91 18.718 3.550 -29.485 1.00 0.00 C ATOM 193 O GLU A 91 17.962 2.605 -29.258 1.00 0.00 O ATOM 194 CB GLU A 91 19.202 3.972 -31.895 1.00 0.00 C ATOM 195 CG GLU A 91 20.280 3.911 -32.978 1.00 0.00 C ATOM 196 CD GLU A 91 19.757 4.530 -34.269 1.00 0.00 C ATOM 197 OE1 GLU A 91 18.947 3.895 -34.923 1.00 0.00 O ATOM 198 OE2 GLU A 91 20.172 5.634 -34.582 1.00 0.00 O ATOM 0 H GLU A 91 19.490 1.420 -31.014 1.00 0.00 H new ATOM 0 HA GLU A 91 20.634 4.064 -30.294 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.341 3.373 -32.190 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.851 4.997 -31.774 1.00 0.00 H new ATOM 0 HG2 GLU A 91 21.172 4.442 -32.645 1.00 0.00 H new ATOM 0 HG3 GLU A 91 20.573 2.876 -33.154 1.00 0.00 H new ATOM 205 N ARG A 92 18.674 4.696 -28.807 1.00 0.00 N ATOM 206 CA ARG A 92 17.707 4.904 -27.735 1.00 0.00 C ATOM 207 C ARG A 92 16.766 6.054 -28.079 1.00 0.00 C ATOM 208 O ARG A 92 17.211 7.158 -28.388 1.00 0.00 O ATOM 209 CB ARG A 92 18.440 5.215 -26.428 1.00 0.00 C ATOM 210 CG ARG A 92 17.422 5.386 -25.299 1.00 0.00 C ATOM 211 CD ARG A 92 18.156 5.506 -23.963 1.00 0.00 C ATOM 212 NE ARG A 92 17.201 5.723 -22.882 1.00 0.00 N ATOM 213 CZ ARG A 92 16.518 4.711 -22.354 1.00 0.00 C ATOM 214 NH1 ARG A 92 16.696 3.499 -22.805 1.00 0.00 N ATOM 215 NH2 ARG A 92 15.670 4.930 -21.387 1.00 0.00 N ATOM 0 H ARG A 92 19.293 5.488 -28.981 1.00 0.00 H new ATOM 0 HA ARG A 92 17.120 3.993 -27.616 1.00 0.00 H new ATOM 0 HB2 ARG A 92 19.134 4.409 -26.187 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.032 6.123 -26.538 1.00 0.00 H new ATOM 0 HG2 ARG A 92 16.815 6.275 -25.474 1.00 0.00 H new ATOM 0 HG3 ARG A 92 16.741 4.535 -25.277 1.00 0.00 H new ATOM 0 HD2 ARG A 92 18.732 4.600 -23.773 1.00 0.00 H new ATOM 0 HD3 ARG A 92 18.866 6.332 -24.002 1.00 0.00 H new ATOM 0 HE ARG A 92 17.054 6.667 -22.525 1.00 0.00 H new ATOM 0 HH11 ARG A 92 17.358 3.329 -23.562 1.00 0.00 H new ATOM 0 HH12 ARG A 92 16.173 2.722 -22.401 1.00 0.00 H new ATOM 0 HH21 ARG A 92 15.531 5.877 -21.036 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.146 4.154 -20.982 1.00 0.00 H new ATOM 229 N VAL A 93 15.467 5.783 -28.018 1.00 0.00 N ATOM 230 CA VAL A 93 14.460 6.794 -28.317 1.00 0.00 C ATOM 231 C VAL A 93 13.471 6.932 -27.168 1.00 0.00 C ATOM 232 O VAL A 93 12.944 5.936 -26.675 1.00 0.00 O ATOM 233 CB VAL A 93 13.715 6.426 -29.600 1.00 0.00 C ATOM 234 CG1 VAL A 93 12.493 7.331 -29.755 1.00 0.00 C ATOM 235 CG2 VAL A 93 14.645 6.624 -30.802 1.00 0.00 C ATOM 0 H VAL A 93 15.087 4.871 -27.764 1.00 0.00 H new ATOM 0 HA VAL A 93 14.966 7.750 -28.454 1.00 0.00 H new ATOM 0 HB VAL A 93 13.396 5.385 -29.550 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.961 7.070 -30.670 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.831 7.198 -28.899 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.815 8.371 -29.807 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.116 6.362 -31.718 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.960 7.666 -30.850 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.521 5.985 -30.693 1.00 0.00 H new ATOM 245 N VAL A 94 13.223 8.171 -26.751 1.00 0.00 N ATOM 246 CA VAL A 94 12.289 8.423 -25.662 1.00 0.00 C ATOM 247 C VAL A 94 11.265 9.477 -26.066 1.00 0.00 C ATOM 248 O VAL A 94 11.624 10.595 -26.436 1.00 0.00 O ATOM 249 CB VAL A 94 13.052 8.899 -24.424 1.00 0.00 C ATOM 250 CG1 VAL A 94 14.163 7.901 -24.095 1.00 0.00 C ATOM 251 CG2 VAL A 94 13.665 10.273 -24.699 1.00 0.00 C ATOM 0 H VAL A 94 13.652 9.007 -27.147 1.00 0.00 H new ATOM 0 HA VAL A 94 11.765 7.495 -25.434 1.00 0.00 H new ATOM 0 HB VAL A 94 12.366 8.970 -23.580 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.707 8.240 -23.213 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.726 6.922 -23.898 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.849 7.829 -24.939 1.00 0.00 H new ATOM 0 HG21 VAL A 94 14.208 10.612 -23.817 1.00 0.00 H new ATOM 0 HG22 VAL A 94 14.351 10.203 -25.543 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.873 10.985 -24.933 1.00 0.00 H new ATOM 261 N LYS A 95 9.987 9.116 -25.987 1.00 0.00 N ATOM 262 CA LYS A 95 8.918 10.043 -26.339 1.00 0.00 C ATOM 263 C LYS A 95 7.814 10.020 -25.285 1.00 0.00 C ATOM 264 O LYS A 95 7.293 8.958 -24.945 1.00 0.00 O ATOM 265 CB LYS A 95 8.331 9.671 -27.701 1.00 0.00 C ATOM 266 CG LYS A 95 9.405 9.826 -28.781 1.00 0.00 C ATOM 267 CD LYS A 95 8.789 9.579 -30.162 1.00 0.00 C ATOM 268 CE LYS A 95 8.181 10.881 -30.696 1.00 0.00 C ATOM 269 NZ LYS A 95 7.632 10.648 -32.060 1.00 0.00 N ATOM 0 H LYS A 95 9.669 8.195 -25.685 1.00 0.00 H new ATOM 0 HA LYS A 95 9.338 11.048 -26.385 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.965 8.645 -27.683 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.478 10.310 -27.928 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.836 10.826 -28.738 1.00 0.00 H new ATOM 0 HG3 LYS A 95 10.217 9.121 -28.603 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.551 9.213 -30.850 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.021 8.808 -30.096 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.392 11.227 -30.029 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.939 11.664 -30.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.219 11.531 -32.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.396 10.337 -32.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.897 9.914 -32.018 1.00 0.00 H new ATOM 283 N GLN A 96 7.462 11.196 -24.781 1.00 0.00 N ATOM 284 CA GLN A 96 6.416 11.299 -23.770 1.00 0.00 C ATOM 285 C GLN A 96 5.042 11.299 -24.429 1.00 0.00 C ATOM 286 O GLN A 96 4.820 11.993 -25.421 1.00 0.00 O ATOM 287 CB GLN A 96 6.596 12.583 -22.957 1.00 0.00 C ATOM 288 CG GLN A 96 5.633 12.574 -21.769 1.00 0.00 C ATOM 289 CD GLN A 96 5.867 13.801 -20.896 1.00 0.00 C ATOM 290 OE1 GLN A 96 5.129 14.864 -21.070 1.00 0.00 O flip ATOM 291 NE2 GLN A 96 6.749 13.794 -20.038 1.00 0.00 N flip ATOM 0 H GLN A 96 7.881 12.085 -25.052 1.00 0.00 H new ATOM 0 HA GLN A 96 6.491 10.439 -23.105 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.624 12.662 -22.604 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.407 13.453 -23.585 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.603 12.563 -22.126 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.777 11.667 -21.181 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.324 12.962 -19.904 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.905 14.620 -19.460 1.00 0.00 H new ATOM 300 N ARG A 97 4.126 10.510 -23.878 1.00 0.00 N ATOM 301 CA ARG A 97 2.776 10.427 -24.422 1.00 0.00 C ATOM 302 C ARG A 97 1.913 11.577 -23.922 1.00 0.00 C ATOM 303 O ARG A 97 1.815 11.806 -22.718 1.00 0.00 O ATOM 304 CB ARG A 97 2.125 9.102 -24.023 1.00 0.00 C ATOM 305 CG ARG A 97 2.168 8.123 -25.201 1.00 0.00 C ATOM 306 CD ARG A 97 1.333 6.888 -24.869 1.00 0.00 C ATOM 307 NE ARG A 97 2.016 6.065 -23.879 1.00 0.00 N ATOM 308 CZ ARG A 97 1.355 5.157 -23.169 1.00 0.00 C ATOM 309 NH1 ARG A 97 0.074 4.993 -23.350 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.989 4.428 -22.292 1.00 0.00 N ATOM 0 H ARG A 97 4.292 9.923 -23.061 1.00 0.00 H new ATOM 0 HA ARG A 97 2.851 10.488 -25.508 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.645 8.675 -23.165 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.092 9.272 -23.718 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.784 8.603 -26.101 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.198 7.833 -25.409 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.358 7.192 -24.488 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.155 6.307 -25.774 1.00 0.00 H new ATOM 0 HE ARG A 97 3.017 6.188 -23.729 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.421 5.562 -24.037 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.433 4.296 -22.805 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.991 4.555 -22.152 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.482 3.731 -21.747 1.00 0.00 H new ATOM 324 N LEU A 98 1.288 12.292 -24.854 1.00 0.00 N ATOM 325 CA LEU A 98 0.430 13.414 -24.510 1.00 0.00 C ATOM 326 C LEU A 98 -1.002 13.144 -24.920 1.00 0.00 C ATOM 327 O LEU A 98 -1.374 13.333 -26.074 1.00 0.00 O ATOM 328 CB LEU A 98 0.934 14.700 -25.187 1.00 0.00 C ATOM 329 CG LEU A 98 2.072 15.320 -24.369 1.00 0.00 C ATOM 330 CD1 LEU A 98 1.530 15.772 -23.004 1.00 0.00 C ATOM 331 CD2 LEU A 98 3.178 14.291 -24.158 1.00 0.00 C ATOM 0 H LEU A 98 1.362 12.111 -25.855 1.00 0.00 H new ATOM 0 HA LEU A 98 0.462 13.544 -23.428 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.282 14.476 -26.195 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.115 15.413 -25.283 1.00 0.00 H new ATOM 0 HG LEU A 98 2.476 16.177 -24.907 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.338 16.213 -22.420 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.743 16.511 -23.152 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.125 14.912 -22.471 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.984 14.738 -23.576 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.777 13.431 -23.622 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.564 13.969 -25.125 1.00 0.00 H new ATOM 343 N PHE A 99 -1.809 12.713 -23.959 1.00 0.00 N ATOM 344 CA PHE A 99 -3.214 12.423 -24.228 1.00 0.00 C ATOM 345 C PHE A 99 -4.094 12.877 -23.067 1.00 0.00 C ATOM 346 O PHE A 99 -4.531 14.027 -23.016 1.00 0.00 O ATOM 347 CB PHE A 99 -3.401 10.922 -24.453 1.00 0.00 C ATOM 348 CG PHE A 99 -2.877 10.549 -25.819 1.00 0.00 C ATOM 349 CD1 PHE A 99 -3.549 10.984 -26.967 1.00 0.00 C ATOM 350 CD2 PHE A 99 -1.718 9.772 -25.939 1.00 0.00 C ATOM 351 CE1 PHE A 99 -3.064 10.640 -28.235 1.00 0.00 C ATOM 352 CE2 PHE A 99 -1.234 9.428 -27.206 1.00 0.00 C ATOM 353 CZ PHE A 99 -1.907 9.863 -28.355 1.00 0.00 C ATOM 0 H PHE A 99 -1.519 12.557 -22.993 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.510 12.968 -25.124 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.873 10.359 -23.683 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.456 10.660 -24.372 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.442 11.585 -26.875 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.198 9.438 -25.053 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.584 10.975 -29.121 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.341 8.827 -27.298 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.533 9.599 -29.333 1.00 0.00 H new ATOM 363 N GLY A 100 -4.351 11.965 -22.134 1.00 0.00 N ATOM 364 CA GLY A 100 -5.179 12.282 -20.975 1.00 0.00 C ATOM 365 C GLY A 100 -5.105 11.173 -19.933 1.00 0.00 C ATOM 366 O GLY A 100 -4.616 11.382 -18.822 1.00 0.00 O ATOM 0 H GLY A 100 -4.001 11.007 -22.157 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.849 13.223 -20.534 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.213 12.422 -21.290 1.00 0.00 H new ATOM 370 N LYS A 101 -5.591 9.994 -20.298 1.00 0.00 N ATOM 371 CA LYS A 101 -5.574 8.865 -19.383 1.00 0.00 C ATOM 372 C LYS A 101 -4.144 8.537 -18.966 1.00 0.00 C ATOM 373 O LYS A 101 -3.868 8.303 -17.789 1.00 0.00 O ATOM 374 CB LYS A 101 -6.211 7.638 -20.056 1.00 0.00 C ATOM 375 CG LYS A 101 -6.175 6.440 -19.097 1.00 0.00 C ATOM 376 CD LYS A 101 -7.166 6.669 -17.948 1.00 0.00 C ATOM 377 CE LYS A 101 -6.399 6.826 -16.633 1.00 0.00 C ATOM 378 NZ LYS A 101 -7.364 6.907 -15.505 1.00 0.00 N ATOM 0 H LYS A 101 -5.998 9.797 -21.212 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.147 9.129 -18.494 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.241 7.860 -20.337 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.675 7.397 -20.974 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.429 5.525 -19.632 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.168 6.309 -18.701 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.763 7.560 -18.141 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.859 5.830 -17.879 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.725 5.982 -16.489 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.782 7.724 -16.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.844 7.014 -14.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.990 7.726 -15.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.934 6.038 -15.473 1.00 0.00 H new ATOM 392 N THR A 102 -3.243 8.503 -19.937 1.00 0.00 N ATOM 393 CA THR A 102 -1.849 8.188 -19.656 1.00 0.00 C ATOM 394 C THR A 102 -0.996 9.441 -19.739 1.00 0.00 C ATOM 395 O THR A 102 0.139 9.444 -19.278 1.00 0.00 O ATOM 396 CB THR A 102 -1.335 7.145 -20.651 1.00 0.00 C ATOM 397 OG1 THR A 102 -1.412 7.671 -21.967 1.00 0.00 O ATOM 398 CG2 THR A 102 -2.190 5.880 -20.553 1.00 0.00 C ATOM 0 H THR A 102 -3.449 8.688 -20.919 1.00 0.00 H new ATOM 0 HA THR A 102 -1.782 7.783 -18.646 1.00 0.00 H new ATOM 0 HB THR A 102 -0.299 6.899 -20.418 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.395 6.936 -22.615 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.824 5.137 -21.262 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.129 5.477 -19.542 1.00 0.00 H new ATOM 0 HG23 THR A 102 -3.227 6.123 -20.785 1.00 0.00 H new ATOM 406 N ALA A 103 -1.550 10.493 -20.339 1.00 0.00 N ATOM 407 CA ALA A 103 -0.825 11.755 -20.489 1.00 0.00 C ATOM 408 C ALA A 103 0.198 11.928 -19.371 1.00 0.00 C ATOM 409 O ALA A 103 -0.134 11.820 -18.190 1.00 0.00 O ATOM 410 CB ALA A 103 -1.808 12.924 -20.450 1.00 0.00 C ATOM 0 H ALA A 103 -2.493 10.498 -20.727 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.304 11.737 -21.446 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.263 13.861 -20.562 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.527 12.822 -21.263 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.337 12.923 -19.497 1.00 0.00 H new ATOM 416 N GLY A 104 1.447 12.166 -19.755 1.00 0.00 N ATOM 417 CA GLY A 104 2.518 12.324 -18.779 1.00 0.00 C ATOM 418 C GLY A 104 3.329 11.039 -18.632 1.00 0.00 C ATOM 419 O GLY A 104 4.339 11.010 -17.928 1.00 0.00 O ATOM 0 H GLY A 104 1.741 12.253 -20.728 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.175 13.138 -19.085 1.00 0.00 H new ATOM 0 HA3 GLY A 104 2.095 12.602 -17.814 1.00 0.00 H new ATOM 423 N ARG A 105 2.883 9.982 -19.299 1.00 0.00 N ATOM 424 CA ARG A 105 3.579 8.703 -19.235 1.00 0.00 C ATOM 425 C ARG A 105 4.880 8.756 -20.029 1.00 0.00 C ATOM 426 O ARG A 105 4.991 9.503 -20.997 1.00 0.00 O ATOM 427 CB ARG A 105 2.687 7.592 -19.798 1.00 0.00 C ATOM 428 CG ARG A 105 2.550 6.468 -18.764 1.00 0.00 C ATOM 429 CD ARG A 105 1.634 6.923 -17.620 1.00 0.00 C ATOM 430 NE ARG A 105 2.420 7.535 -16.556 1.00 0.00 N ATOM 431 CZ ARG A 105 1.833 8.146 -15.534 1.00 0.00 C ATOM 432 NH1 ARG A 105 0.532 8.203 -15.470 1.00 0.00 N ATOM 433 NH2 ARG A 105 2.558 8.689 -14.595 1.00 0.00 N ATOM 0 H ARG A 105 2.049 9.984 -19.886 1.00 0.00 H new ATOM 0 HA ARG A 105 3.811 8.493 -18.191 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.704 7.992 -20.047 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.115 7.201 -20.721 1.00 0.00 H new ATOM 0 HG2 ARG A 105 2.141 5.575 -19.236 1.00 0.00 H new ATOM 0 HG3 ARG A 105 3.531 6.200 -18.372 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.899 7.636 -17.995 1.00 0.00 H new ATOM 0 HD3 ARG A 105 1.080 6.070 -17.228 1.00 0.00 H new ATOM 0 HE ARG A 105 3.438 7.493 -16.597 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.034 7.778 -16.205 1.00 0.00 H new ATOM 0 HH12 ARG A 105 0.080 8.672 -14.685 1.00 0.00 H new ATOM 0 HH21 ARG A 105 3.576 8.644 -14.646 1.00 0.00 H new ATOM 0 HH22 ARG A 105 2.107 9.158 -13.810 1.00 0.00 H new ATOM 447 N PHE A 106 5.854 7.950 -19.616 1.00 0.00 N ATOM 448 CA PHE A 106 7.140 7.915 -20.305 1.00 0.00 C ATOM 449 C PHE A 106 7.248 6.656 -21.159 1.00 0.00 C ATOM 450 O PHE A 106 7.092 5.543 -20.659 1.00 0.00 O ATOM 451 CB PHE A 106 8.277 7.939 -19.280 1.00 0.00 C ATOM 452 CG PHE A 106 8.259 9.254 -18.537 1.00 0.00 C ATOM 453 CD1 PHE A 106 8.913 10.369 -19.074 1.00 0.00 C ATOM 454 CD2 PHE A 106 7.588 9.358 -17.313 1.00 0.00 C ATOM 455 CE1 PHE A 106 8.895 11.588 -18.385 1.00 0.00 C ATOM 456 CE2 PHE A 106 7.572 10.576 -16.625 1.00 0.00 C ATOM 457 CZ PHE A 106 8.224 11.693 -17.161 1.00 0.00 C ATOM 0 H PHE A 106 5.780 7.320 -18.818 1.00 0.00 H new ATOM 0 HA PHE A 106 7.215 8.789 -20.952 1.00 0.00 H new ATOM 0 HB2 PHE A 106 8.166 7.112 -18.579 1.00 0.00 H new ATOM 0 HB3 PHE A 106 9.236 7.806 -19.781 1.00 0.00 H new ATOM 0 HD1 PHE A 106 9.431 10.289 -20.018 1.00 0.00 H new ATOM 0 HD2 PHE A 106 7.083 8.498 -16.900 1.00 0.00 H new ATOM 0 HE1 PHE A 106 9.400 12.449 -18.799 1.00 0.00 H new ATOM 0 HE2 PHE A 106 7.056 10.655 -15.679 1.00 0.00 H new ATOM 0 HZ PHE A 106 8.209 12.634 -16.631 1.00 0.00 H new ATOM 467 N ASP A 107 7.520 6.849 -22.448 1.00 0.00 N ATOM 468 CA ASP A 107 7.647 5.721 -23.369 1.00 0.00 C ATOM 469 C ASP A 107 9.027 5.713 -24.013 1.00 0.00 C ATOM 470 O ASP A 107 9.412 6.670 -24.686 1.00 0.00 O ATOM 471 CB ASP A 107 6.574 5.816 -24.455 1.00 0.00 C ATOM 472 CG ASP A 107 5.233 6.186 -23.829 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.976 7.370 -23.685 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.479 5.281 -23.514 1.00 0.00 O ATOM 0 H ASP A 107 7.655 7.765 -22.875 1.00 0.00 H new ATOM 0 HA ASP A 107 7.515 4.796 -22.808 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.858 6.564 -25.195 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.490 4.864 -24.980 1.00 0.00 H new ATOM 479 N VAL A 108 9.768 4.628 -23.801 1.00 0.00 N ATOM 480 CA VAL A 108 11.105 4.512 -24.369 1.00 0.00 C ATOM 481 C VAL A 108 11.313 3.118 -24.959 1.00 0.00 C ATOM 482 O VAL A 108 10.743 2.140 -24.477 1.00 0.00 O ATOM 483 CB VAL A 108 12.150 4.766 -23.284 1.00 0.00 C ATOM 484 CG1 VAL A 108 11.799 6.049 -22.527 1.00 0.00 C ATOM 485 CG2 VAL A 108 12.178 3.590 -22.312 1.00 0.00 C ATOM 0 H VAL A 108 9.468 3.826 -23.246 1.00 0.00 H new ATOM 0 HA VAL A 108 11.213 5.252 -25.162 1.00 0.00 H new ATOM 0 HB VAL A 108 13.131 4.874 -23.746 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.545 6.230 -21.753 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.785 6.889 -23.221 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.817 5.943 -22.067 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.924 3.774 -21.539 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.197 3.477 -21.850 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.432 2.678 -22.852 1.00 0.00 H new ATOM 495 N TYR A 109 12.138 3.037 -25.994 1.00 0.00 N ATOM 496 CA TYR A 109 12.426 1.762 -26.638 1.00 0.00 C ATOM 497 C TYR A 109 13.750 1.825 -27.388 1.00 0.00 C ATOM 498 O TYR A 109 14.299 2.906 -27.600 1.00 0.00 O ATOM 499 CB TYR A 109 11.298 1.392 -27.599 1.00 0.00 C ATOM 500 CG TYR A 109 11.077 2.525 -28.570 1.00 0.00 C ATOM 501 CD1 TYR A 109 11.870 2.629 -29.717 1.00 0.00 C ATOM 502 CD2 TYR A 109 10.078 3.471 -28.320 1.00 0.00 C ATOM 503 CE1 TYR A 109 11.664 3.683 -30.616 1.00 0.00 C ATOM 504 CE2 TYR A 109 9.870 4.526 -29.218 1.00 0.00 C ATOM 505 CZ TYR A 109 10.664 4.632 -30.366 1.00 0.00 C ATOM 506 OH TYR A 109 10.460 5.670 -31.253 1.00 0.00 O ATOM 0 H TYR A 109 12.619 3.837 -26.405 1.00 0.00 H new ATOM 0 HA TYR A 109 12.502 0.996 -25.866 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.550 0.479 -28.139 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.382 1.191 -27.043 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.641 1.897 -29.909 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.466 3.388 -27.434 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.276 3.764 -31.502 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.098 5.256 -29.025 1.00 0.00 H new ATOM 0 HH TYR A 109 9.728 6.237 -30.931 1.00 0.00 H new ATOM 516 N PHE A 110 14.253 0.662 -27.798 1.00 0.00 N ATOM 517 CA PHE A 110 15.510 0.599 -28.535 1.00 0.00 C ATOM 518 C PHE A 110 15.271 0.116 -29.958 1.00 0.00 C ATOM 519 O PHE A 110 14.395 -0.714 -30.203 1.00 0.00 O ATOM 520 CB PHE A 110 16.478 -0.349 -27.826 1.00 0.00 C ATOM 521 CG PHE A 110 15.721 -1.547 -27.305 1.00 0.00 C ATOM 522 CD1 PHE A 110 15.551 -2.678 -28.110 1.00 0.00 C ATOM 523 CD2 PHE A 110 15.186 -1.524 -26.010 1.00 0.00 C ATOM 524 CE1 PHE A 110 14.848 -3.787 -27.622 1.00 0.00 C ATOM 525 CE2 PHE A 110 14.483 -2.631 -25.522 1.00 0.00 C ATOM 526 CZ PHE A 110 14.314 -3.763 -26.327 1.00 0.00 C ATOM 0 H PHE A 110 13.812 -0.243 -27.633 1.00 0.00 H new ATOM 0 HA PHE A 110 15.942 1.599 -28.573 1.00 0.00 H new ATOM 0 HB2 PHE A 110 17.259 -0.671 -28.515 1.00 0.00 H new ATOM 0 HB3 PHE A 110 16.972 0.168 -27.003 1.00 0.00 H new ATOM 0 HD1 PHE A 110 15.962 -2.696 -29.109 1.00 0.00 H new ATOM 0 HD2 PHE A 110 15.316 -0.651 -25.388 1.00 0.00 H new ATOM 0 HE1 PHE A 110 14.718 -4.660 -28.244 1.00 0.00 H new ATOM 0 HE2 PHE A 110 14.071 -2.612 -24.524 1.00 0.00 H new ATOM 0 HZ PHE A 110 13.772 -4.618 -25.950 1.00 0.00 H new ATOM 536 N ILE A 111 16.054 0.647 -30.896 1.00 0.00 N ATOM 537 CA ILE A 111 15.911 0.268 -32.294 1.00 0.00 C ATOM 538 C ILE A 111 17.190 -0.388 -32.801 1.00 0.00 C ATOM 539 O ILE A 111 18.263 0.219 -32.782 1.00 0.00 O ATOM 540 CB ILE A 111 15.608 1.509 -33.142 1.00 0.00 C ATOM 541 CG1 ILE A 111 14.343 2.190 -32.610 1.00 0.00 C ATOM 542 CG2 ILE A 111 15.377 1.094 -34.598 1.00 0.00 C ATOM 543 CD1 ILE A 111 14.144 3.529 -33.324 1.00 0.00 C ATOM 0 H ILE A 111 16.786 1.334 -30.713 1.00 0.00 H new ATOM 0 HA ILE A 111 15.089 -0.443 -32.377 1.00 0.00 H new ATOM 0 HB ILE A 111 16.451 2.197 -33.087 1.00 0.00 H new ATOM 0 HG12 ILE A 111 13.477 1.548 -32.771 1.00 0.00 H new ATOM 0 HG13 ILE A 111 14.427 2.348 -31.535 1.00 0.00 H new ATOM 0 HG21 ILE A 111 15.162 1.978 -35.198 1.00 0.00 H new ATOM 0 HG22 ILE A 111 16.271 0.603 -34.983 1.00 0.00 H new ATOM 0 HG23 ILE A 111 14.534 0.405 -34.651 1.00 0.00 H new ATOM 0 HD11 ILE A 111 13.244 4.013 -32.945 1.00 0.00 H new ATOM 0 HD12 ILE A 111 15.006 4.171 -33.141 1.00 0.00 H new ATOM 0 HD13 ILE A 111 14.040 3.358 -34.396 1.00 0.00 H new ATOM 555 N SER A 112 17.066 -1.626 -33.270 1.00 0.00 N ATOM 556 CA SER A 112 18.213 -2.350 -33.794 1.00 0.00 C ATOM 557 C SER A 112 18.761 -1.656 -35.037 1.00 0.00 C ATOM 558 O SER A 112 18.064 -0.873 -35.685 1.00 0.00 O ATOM 559 CB SER A 112 17.808 -3.784 -34.146 1.00 0.00 C ATOM 560 OG SER A 112 16.392 -3.871 -34.216 1.00 0.00 O ATOM 0 H SER A 112 16.188 -2.144 -33.297 1.00 0.00 H new ATOM 0 HA SER A 112 18.989 -2.368 -33.029 1.00 0.00 H new ATOM 0 HB2 SER A 112 18.249 -4.074 -35.100 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.189 -4.476 -33.395 1.00 0.00 H new ATOM 0 HG SER A 112 16.045 -4.242 -33.378 1.00 0.00 H new ATOM 566 N PRO A 113 19.989 -1.929 -35.377 1.00 0.00 N ATOM 567 CA PRO A 113 20.656 -1.322 -36.569 1.00 0.00 C ATOM 568 C PRO A 113 19.961 -1.704 -37.873 1.00 0.00 C ATOM 569 O PRO A 113 20.129 -1.039 -38.894 1.00 0.00 O ATOM 570 CB PRO A 113 22.082 -1.885 -36.520 1.00 0.00 C ATOM 571 CG PRO A 113 21.995 -3.110 -35.672 1.00 0.00 C ATOM 572 CD PRO A 113 20.888 -2.848 -34.663 1.00 0.00 C ATOM 0 HA PRO A 113 20.626 -0.233 -36.542 1.00 0.00 H new ATOM 0 HB2 PRO A 113 22.445 -2.124 -37.520 1.00 0.00 H new ATOM 0 HB3 PRO A 113 22.776 -1.161 -36.094 1.00 0.00 H new ATOM 0 HG2 PRO A 113 21.770 -3.988 -36.278 1.00 0.00 H new ATOM 0 HG3 PRO A 113 22.942 -3.304 -35.169 1.00 0.00 H new ATOM 0 HD2 PRO A 113 20.378 -3.768 -34.377 1.00 0.00 H new ATOM 0 HD3 PRO A 113 21.276 -2.401 -33.748 1.00 0.00 H new ATOM 580 N GLN A 114 19.182 -2.777 -37.828 1.00 0.00 N ATOM 581 CA GLN A 114 18.465 -3.240 -39.013 1.00 0.00 C ATOM 582 C GLN A 114 17.266 -2.340 -39.296 1.00 0.00 C ATOM 583 O GLN A 114 16.520 -2.566 -40.249 1.00 0.00 O ATOM 584 CB GLN A 114 17.988 -4.678 -38.806 1.00 0.00 C ATOM 585 CG GLN A 114 19.023 -5.647 -39.381 1.00 0.00 C ATOM 586 CD GLN A 114 20.370 -5.436 -38.697 1.00 0.00 C ATOM 587 OE1 GLN A 114 21.326 -4.990 -39.332 1.00 0.00 O ATOM 588 NE2 GLN A 114 20.504 -5.734 -37.434 1.00 0.00 N ATOM 0 H GLN A 114 19.030 -3.341 -36.992 1.00 0.00 H new ATOM 0 HA GLN A 114 19.144 -3.203 -39.865 1.00 0.00 H new ATOM 0 HB2 GLN A 114 17.841 -4.874 -37.744 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.025 -4.827 -39.294 1.00 0.00 H new ATOM 0 HG2 GLN A 114 18.690 -6.675 -39.238 1.00 0.00 H new ATOM 0 HG3 GLN A 114 19.123 -5.491 -40.455 1.00 0.00 H new ATOM 0 HE21 GLN A 114 19.711 -6.103 -36.910 1.00 0.00 H new ATOM 0 HE22 GLN A 114 21.402 -5.598 -36.970 1.00 0.00 H new ATOM 597 N GLY A 115 17.088 -1.321 -38.464 1.00 0.00 N ATOM 598 CA GLY A 115 15.977 -0.391 -38.633 1.00 0.00 C ATOM 599 C GLY A 115 14.713 -0.930 -37.973 1.00 0.00 C ATOM 600 O GLY A 115 13.679 -0.261 -37.951 1.00 0.00 O ATOM 0 H GLY A 115 17.695 -1.118 -37.670 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.236 0.574 -38.198 1.00 0.00 H new ATOM 0 HA3 GLY A 115 15.795 -0.224 -39.695 1.00 0.00 H new ATOM 604 N LEU A 116 14.803 -2.143 -37.435 1.00 0.00 N ATOM 605 CA LEU A 116 13.660 -2.761 -36.775 1.00 0.00 C ATOM 606 C LEU A 116 13.503 -2.222 -35.362 1.00 0.00 C ATOM 607 O LEU A 116 14.489 -1.921 -34.695 1.00 0.00 O ATOM 608 CB LEU A 116 13.842 -4.281 -36.729 1.00 0.00 C ATOM 609 CG LEU A 116 13.253 -4.909 -37.997 1.00 0.00 C ATOM 610 CD1 LEU A 116 11.731 -4.732 -38.006 1.00 0.00 C ATOM 611 CD2 LEU A 116 13.853 -4.221 -39.228 1.00 0.00 C ATOM 0 H LEU A 116 15.649 -2.713 -37.443 1.00 0.00 H new ATOM 0 HA LEU A 116 12.762 -2.521 -37.344 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.900 -4.528 -36.647 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.350 -4.690 -35.846 1.00 0.00 H new ATOM 0 HG LEU A 116 13.490 -5.973 -38.017 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.318 -5.180 -38.910 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.303 -5.220 -37.130 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.488 -3.670 -37.984 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.436 -4.665 -40.132 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.615 -3.158 -39.203 1.00 0.00 H new ATOM 0 HD23 LEU A 116 14.935 -4.350 -39.226 1.00 0.00 H new ATOM 623 N LYS A 117 12.255 -2.098 -34.916 1.00 0.00 N ATOM 624 CA LYS A 117 11.971 -1.583 -33.580 1.00 0.00 C ATOM 625 C LYS A 117 11.332 -2.657 -32.710 1.00 0.00 C ATOM 626 O LYS A 117 10.608 -3.520 -33.203 1.00 0.00 O ATOM 627 CB LYS A 117 11.046 -0.374 -33.674 1.00 0.00 C ATOM 628 CG LYS A 117 10.643 0.070 -32.267 1.00 0.00 C ATOM 629 CD LYS A 117 10.076 1.492 -32.317 1.00 0.00 C ATOM 630 CE LYS A 117 8.757 1.494 -33.092 1.00 0.00 C ATOM 631 NZ LYS A 117 8.119 2.834 -32.983 1.00 0.00 N ATOM 0 H LYS A 117 11.428 -2.346 -35.458 1.00 0.00 H new ATOM 0 HA LYS A 117 12.913 -1.282 -33.121 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.548 0.442 -34.195 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.159 -0.626 -34.256 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.899 -0.614 -31.858 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.507 0.036 -31.603 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.915 1.866 -31.306 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.791 2.162 -32.795 1.00 0.00 H new ATOM 0 HE2 LYS A 117 8.938 1.250 -34.139 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.089 0.728 -32.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.222 2.835 -33.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 7.933 3.050 -31.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 8.755 3.555 -33.380 1.00 0.00 H new ATOM 645 N PHE A 118 11.612 -2.601 -31.412 1.00 0.00 N ATOM 646 CA PHE A 118 11.055 -3.571 -30.478 1.00 0.00 C ATOM 647 C PHE A 118 10.740 -2.912 -29.140 1.00 0.00 C ATOM 648 O PHE A 118 11.445 -2.002 -28.707 1.00 0.00 O ATOM 649 CB PHE A 118 12.042 -4.718 -30.270 1.00 0.00 C ATOM 650 CG PHE A 118 12.315 -5.392 -31.594 1.00 0.00 C ATOM 651 CD1 PHE A 118 11.391 -6.304 -32.118 1.00 0.00 C ATOM 652 CD2 PHE A 118 13.491 -5.105 -32.296 1.00 0.00 C ATOM 653 CE1 PHE A 118 11.643 -6.928 -33.345 1.00 0.00 C ATOM 654 CE2 PHE A 118 13.743 -5.729 -33.523 1.00 0.00 C ATOM 655 CZ PHE A 118 12.819 -6.642 -34.048 1.00 0.00 C ATOM 0 H PHE A 118 12.217 -1.899 -30.986 1.00 0.00 H new ATOM 0 HA PHE A 118 10.129 -3.962 -30.898 1.00 0.00 H new ATOM 0 HB2 PHE A 118 12.971 -4.340 -29.844 1.00 0.00 H new ATOM 0 HB3 PHE A 118 11.635 -5.438 -29.560 1.00 0.00 H new ATOM 0 HD1 PHE A 118 10.484 -6.526 -31.575 1.00 0.00 H new ATOM 0 HD2 PHE A 118 14.204 -4.402 -31.891 1.00 0.00 H new ATOM 0 HE1 PHE A 118 10.930 -7.631 -33.750 1.00 0.00 H new ATOM 0 HE2 PHE A 118 14.650 -5.507 -34.065 1.00 0.00 H new ATOM 0 HZ PHE A 118 13.014 -7.125 -34.994 1.00 0.00 H new ATOM 665 N ARG A 119 9.684 -3.383 -28.484 1.00 0.00 N ATOM 666 CA ARG A 119 9.295 -2.836 -27.189 1.00 0.00 C ATOM 667 C ARG A 119 9.031 -3.959 -26.190 1.00 0.00 C ATOM 668 O ARG A 119 8.433 -3.736 -25.135 1.00 0.00 O ATOM 669 CB ARG A 119 8.037 -1.981 -27.341 1.00 0.00 C ATOM 670 CG ARG A 119 6.888 -2.841 -27.879 1.00 0.00 C ATOM 671 CD ARG A 119 5.576 -2.060 -27.806 1.00 0.00 C ATOM 672 NE ARG A 119 4.443 -2.977 -27.828 1.00 0.00 N ATOM 673 CZ ARG A 119 3.280 -2.643 -27.273 1.00 0.00 C ATOM 674 NH1 ARG A 119 3.143 -1.478 -26.701 1.00 0.00 N ATOM 675 NH2 ARG A 119 2.283 -3.480 -27.302 1.00 0.00 N ATOM 0 H ARG A 119 9.086 -4.136 -28.825 1.00 0.00 H new ATOM 0 HA ARG A 119 10.112 -2.218 -26.816 1.00 0.00 H new ATOM 0 HB2 ARG A 119 7.761 -1.549 -26.379 1.00 0.00 H new ATOM 0 HB3 ARG A 119 8.230 -1.150 -28.020 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.091 -3.132 -28.910 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.807 -3.760 -27.298 1.00 0.00 H new ATOM 0 HD2 ARG A 119 5.551 -1.461 -26.896 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.509 -1.368 -28.645 1.00 0.00 H new ATOM 0 HE ARG A 119 4.543 -3.888 -28.275 1.00 0.00 H new ATOM 0 HH11 ARG A 119 3.926 -0.825 -26.680 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.253 -1.220 -26.275 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.394 -4.390 -27.749 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.391 -3.226 -26.877 1.00 0.00 H new ATOM 689 N SER A 120 9.472 -5.165 -26.529 1.00 0.00 N ATOM 690 CA SER A 120 9.266 -6.314 -25.655 1.00 0.00 C ATOM 691 C SER A 120 10.490 -7.223 -25.667 1.00 0.00 C ATOM 692 O SER A 120 11.103 -7.441 -26.712 1.00 0.00 O ATOM 693 CB SER A 120 8.040 -7.105 -26.117 1.00 0.00 C ATOM 694 OG SER A 120 7.857 -8.228 -25.264 1.00 0.00 O ATOM 0 H SER A 120 9.970 -5.372 -27.395 1.00 0.00 H new ATOM 0 HA SER A 120 9.106 -5.951 -24.640 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.154 -6.470 -26.097 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.172 -7.434 -27.148 1.00 0.00 H new ATOM 0 HG SER A 120 7.071 -8.736 -25.556 1.00 0.00 H new ATOM 700 N LYS A 121 10.840 -7.750 -24.498 1.00 0.00 N ATOM 701 CA LYS A 121 11.991 -8.636 -24.387 1.00 0.00 C ATOM 702 C LYS A 121 11.725 -9.946 -25.124 1.00 0.00 C ATOM 703 O LYS A 121 12.645 -10.580 -25.635 1.00 0.00 O ATOM 704 CB LYS A 121 12.286 -8.924 -22.913 1.00 0.00 C ATOM 705 CG LYS A 121 11.215 -9.861 -22.351 1.00 0.00 C ATOM 706 CD LYS A 121 11.236 -9.804 -20.822 1.00 0.00 C ATOM 707 CE LYS A 121 10.307 -8.687 -20.338 1.00 0.00 C ATOM 708 NZ LYS A 121 10.314 -8.645 -18.850 1.00 0.00 N ATOM 0 H LYS A 121 10.347 -7.580 -23.621 1.00 0.00 H new ATOM 0 HA LYS A 121 12.854 -8.146 -24.839 1.00 0.00 H new ATOM 0 HB2 LYS A 121 13.272 -9.378 -22.811 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.304 -7.993 -22.346 1.00 0.00 H new ATOM 0 HG2 LYS A 121 10.232 -9.571 -22.723 1.00 0.00 H new ATOM 0 HG3 LYS A 121 11.396 -10.881 -22.690 1.00 0.00 H new ATOM 0 HD2 LYS A 121 10.918 -10.761 -20.408 1.00 0.00 H new ATOM 0 HD3 LYS A 121 12.251 -9.625 -20.468 1.00 0.00 H new ATOM 0 HE2 LYS A 121 10.633 -7.728 -20.741 1.00 0.00 H new ATOM 0 HE3 LYS A 121 9.294 -8.858 -20.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.683 -7.886 -18.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 9.983 -9.557 -18.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 11.281 -8.462 -18.512 1.00 0.00 H new ATOM 722 N SER A 122 10.457 -10.354 -25.164 1.00 0.00 N ATOM 723 CA SER A 122 10.096 -11.598 -25.839 1.00 0.00 C ATOM 724 C SER A 122 10.355 -11.489 -27.337 1.00 0.00 C ATOM 725 O SER A 122 11.077 -12.301 -27.913 1.00 0.00 O ATOM 726 CB SER A 122 8.616 -11.897 -25.602 1.00 0.00 C ATOM 727 OG SER A 122 8.401 -12.136 -24.217 1.00 0.00 O ATOM 0 H SER A 122 9.675 -9.851 -24.745 1.00 0.00 H new ATOM 0 HA SER A 122 10.707 -12.404 -25.434 1.00 0.00 H new ATOM 0 HB2 SER A 122 8.006 -11.058 -25.937 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.311 -12.766 -26.185 1.00 0.00 H new ATOM 0 HG SER A 122 7.452 -12.326 -24.061 1.00 0.00 H new ATOM 733 N SER A 123 9.773 -10.470 -27.963 1.00 0.00 N ATOM 734 CA SER A 123 9.945 -10.273 -29.397 1.00 0.00 C ATOM 735 C SER A 123 11.425 -10.211 -29.745 1.00 0.00 C ATOM 736 O SER A 123 11.836 -10.646 -30.822 1.00 0.00 O ATOM 737 CB SER A 123 9.271 -8.964 -29.824 1.00 0.00 C ATOM 738 OG SER A 123 9.892 -7.876 -29.150 1.00 0.00 O ATOM 0 H SER A 123 9.184 -9.775 -27.505 1.00 0.00 H new ATOM 0 HA SER A 123 9.487 -11.111 -29.923 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.354 -8.834 -30.903 1.00 0.00 H new ATOM 0 HB3 SER A 123 8.207 -8.995 -29.587 1.00 0.00 H new ATOM 0 HG SER A 123 10.095 -8.136 -28.227 1.00 0.00 H new ATOM 744 N LEU A 124 12.223 -9.680 -28.827 1.00 0.00 N ATOM 745 CA LEU A 124 13.657 -9.570 -29.055 1.00 0.00 C ATOM 746 C LEU A 124 14.264 -10.955 -29.279 1.00 0.00 C ATOM 747 O LEU A 124 15.074 -11.146 -30.182 1.00 0.00 O ATOM 748 CB LEU A 124 14.329 -8.908 -27.845 1.00 0.00 C ATOM 749 CG LEU A 124 15.828 -8.739 -28.111 1.00 0.00 C ATOM 750 CD1 LEU A 124 16.033 -7.766 -29.274 1.00 0.00 C ATOM 751 CD2 LEU A 124 16.509 -8.190 -26.859 1.00 0.00 C ATOM 0 H LEU A 124 11.905 -9.322 -27.926 1.00 0.00 H new ATOM 0 HA LEU A 124 13.823 -8.959 -29.942 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.873 -7.937 -27.651 1.00 0.00 H new ATOM 0 HB3 LEU A 124 14.175 -9.517 -26.954 1.00 0.00 H new ATOM 0 HG LEU A 124 16.263 -9.705 -28.366 1.00 0.00 H new ATOM 0 HD11 LEU A 124 17.100 -7.645 -29.464 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.548 -8.159 -30.167 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.598 -6.799 -29.021 1.00 0.00 H new ATOM 0 HD21 LEU A 124 17.576 -8.070 -27.048 1.00 0.00 H new ATOM 0 HD22 LEU A 124 16.075 -7.224 -26.603 1.00 0.00 H new ATOM 0 HD23 LEU A 124 16.363 -8.884 -26.031 1.00 0.00 H new ATOM 763 N ALA A 125 13.872 -11.913 -28.450 1.00 0.00 N ATOM 764 CA ALA A 125 14.384 -13.273 -28.570 1.00 0.00 C ATOM 765 C ALA A 125 13.985 -13.874 -29.915 1.00 0.00 C ATOM 766 O ALA A 125 14.677 -14.744 -30.446 1.00 0.00 O ATOM 767 CB ALA A 125 13.845 -14.139 -27.435 1.00 0.00 C ATOM 0 H ALA A 125 13.205 -11.776 -27.691 1.00 0.00 H new ATOM 0 HA ALA A 125 15.472 -13.241 -28.508 1.00 0.00 H new ATOM 0 HB1 ALA A 125 14.234 -15.152 -27.534 1.00 0.00 H new ATOM 0 HB2 ALA A 125 14.160 -13.722 -26.478 1.00 0.00 H new ATOM 0 HB3 ALA A 125 12.756 -14.162 -27.480 1.00 0.00 H new ATOM 773 N ASN A 126 12.861 -13.409 -30.454 1.00 0.00 N ATOM 774 CA ASN A 126 12.379 -13.909 -31.739 1.00 0.00 C ATOM 775 C ASN A 126 13.117 -13.228 -32.888 1.00 0.00 C ATOM 776 O ASN A 126 13.600 -13.888 -33.801 1.00 0.00 O ATOM 777 CB ASN A 126 10.878 -13.652 -31.867 1.00 0.00 C ATOM 778 CG ASN A 126 10.120 -14.454 -30.815 1.00 0.00 C ATOM 779 OD1 ASN A 126 10.442 -15.616 -30.569 1.00 0.00 O ATOM 780 ND2 ASN A 126 9.129 -13.899 -30.172 1.00 0.00 N ATOM 0 H ASN A 126 12.272 -12.694 -30.027 1.00 0.00 H new ATOM 0 HA ASN A 126 12.568 -14.981 -31.787 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.671 -12.589 -31.745 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.537 -13.930 -32.864 1.00 0.00 H new ATOM 0 HD21 ASN A 126 8.620 -14.429 -29.464 1.00 0.00 H new ATOM 0 HD22 ASN A 126 8.864 -12.936 -30.377 1.00 0.00 H new ATOM 787 N TYR A 127 13.207 -11.906 -32.827 1.00 0.00 N ATOM 788 CA TYR A 127 13.896 -11.149 -33.864 1.00 0.00 C ATOM 789 C TYR A 127 15.323 -11.650 -34.027 1.00 0.00 C ATOM 790 O TYR A 127 15.791 -11.865 -35.147 1.00 0.00 O ATOM 791 CB TYR A 127 13.907 -9.661 -33.506 1.00 0.00 C ATOM 792 CG TYR A 127 14.998 -8.965 -34.284 1.00 0.00 C ATOM 793 CD1 TYR A 127 14.891 -8.824 -35.672 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.119 -8.459 -33.612 1.00 0.00 C ATOM 795 CE1 TYR A 127 15.906 -8.179 -36.389 1.00 0.00 C ATOM 796 CE2 TYR A 127 17.132 -7.814 -34.327 1.00 0.00 C ATOM 797 CZ TYR A 127 17.027 -7.673 -35.718 1.00 0.00 C ATOM 798 OH TYR A 127 18.026 -7.038 -36.426 1.00 0.00 O ATOM 0 H TYR A 127 12.814 -11.339 -32.076 1.00 0.00 H new ATOM 0 HA TYR A 127 13.365 -11.288 -34.806 1.00 0.00 H new ATOM 0 HB2 TYR A 127 12.940 -9.214 -33.735 1.00 0.00 H new ATOM 0 HB3 TYR A 127 14.071 -9.535 -32.436 1.00 0.00 H new ATOM 0 HD1 TYR A 127 14.026 -9.212 -36.190 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.200 -8.568 -32.541 1.00 0.00 H new ATOM 0 HE1 TYR A 127 15.825 -8.071 -37.461 1.00 0.00 H new ATOM 0 HE2 TYR A 127 17.995 -7.424 -33.808 1.00 0.00 H new ATOM 0 HH TYR A 127 18.609 -7.707 -36.842 1.00 0.00 H new ATOM 808 N LEU A 128 16.014 -11.832 -32.907 1.00 0.00 N ATOM 809 CA LEU A 128 17.394 -12.305 -32.947 1.00 0.00 C ATOM 810 C LEU A 128 17.466 -13.692 -33.580 1.00 0.00 C ATOM 811 O LEU A 128 18.330 -13.959 -34.412 1.00 0.00 O ATOM 812 CB LEU A 128 17.956 -12.368 -31.523 1.00 0.00 C ATOM 813 CG LEU A 128 18.074 -10.951 -30.958 1.00 0.00 C ATOM 814 CD1 LEU A 128 18.480 -11.019 -29.486 1.00 0.00 C ATOM 815 CD2 LEU A 128 19.124 -10.166 -31.743 1.00 0.00 C ATOM 0 H LEU A 128 15.647 -11.662 -31.971 1.00 0.00 H new ATOM 0 HA LEU A 128 17.983 -11.612 -33.548 1.00 0.00 H new ATOM 0 HB2 LEU A 128 17.305 -12.970 -30.890 1.00 0.00 H new ATOM 0 HB3 LEU A 128 18.933 -12.852 -31.527 1.00 0.00 H new ATOM 0 HG LEU A 128 17.111 -10.448 -31.046 1.00 0.00 H new ATOM 0 HD11 LEU A 128 18.564 -10.009 -29.085 1.00 0.00 H new ATOM 0 HD12 LEU A 128 17.725 -11.571 -28.926 1.00 0.00 H new ATOM 0 HD13 LEU A 128 19.441 -11.526 -29.397 1.00 0.00 H new ATOM 0 HD21 LEU A 128 19.204 -9.158 -31.336 1.00 0.00 H new ATOM 0 HD22 LEU A 128 20.089 -10.667 -31.662 1.00 0.00 H new ATOM 0 HD23 LEU A 128 18.830 -10.112 -32.791 1.00 0.00 H new ATOM 827 N HIS A 129 16.545 -14.563 -33.188 1.00 0.00 N ATOM 828 CA HIS A 129 16.502 -15.917 -33.728 1.00 0.00 C ATOM 829 C HIS A 129 16.228 -15.884 -35.230 1.00 0.00 C ATOM 830 O HIS A 129 16.705 -16.737 -35.978 1.00 0.00 O ATOM 831 CB HIS A 129 15.419 -16.735 -33.025 1.00 0.00 C ATOM 832 CG HIS A 129 15.490 -18.164 -33.488 1.00 0.00 C ATOM 833 ND1 HIS A 129 16.555 -18.992 -33.166 1.00 0.00 N ATOM 834 CD2 HIS A 129 14.637 -18.928 -34.246 1.00 0.00 C ATOM 835 CE1 HIS A 129 16.316 -20.194 -33.723 1.00 0.00 C ATOM 836 NE2 HIS A 129 15.161 -20.210 -34.392 1.00 0.00 N ATOM 0 H HIS A 129 15.820 -14.358 -32.501 1.00 0.00 H new ATOM 0 HA HIS A 129 17.471 -16.385 -33.555 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.554 -16.685 -31.945 1.00 0.00 H new ATOM 0 HB3 HIS A 129 14.435 -16.319 -33.243 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.702 -18.587 -34.665 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.979 -21.043 -33.639 1.00 0.00 H new ATOM 0 HE2 HIS A 129 14.750 -20.993 -34.901 1.00 0.00 H new ATOM 845 N LYS A 130 15.454 -14.894 -35.659 1.00 0.00 N ATOM 846 CA LYS A 130 15.116 -14.755 -37.071 1.00 0.00 C ATOM 847 C LYS A 130 16.258 -14.099 -37.842 1.00 0.00 C ATOM 848 O LYS A 130 16.340 -14.217 -39.064 1.00 0.00 O ATOM 849 CB LYS A 130 13.844 -13.920 -37.226 1.00 0.00 C ATOM 850 CG LYS A 130 12.643 -14.719 -36.715 1.00 0.00 C ATOM 851 CD LYS A 130 11.373 -13.881 -36.864 1.00 0.00 C ATOM 852 CE LYS A 130 10.171 -14.678 -36.354 1.00 0.00 C ATOM 853 NZ LYS A 130 9.979 -15.887 -37.205 1.00 0.00 N ATOM 0 H LYS A 130 15.050 -14.179 -35.054 1.00 0.00 H new ATOM 0 HA LYS A 130 14.948 -15.751 -37.480 1.00 0.00 H new ATOM 0 HB2 LYS A 130 13.938 -12.988 -36.669 1.00 0.00 H new ATOM 0 HB3 LYS A 130 13.697 -13.652 -38.272 1.00 0.00 H new ATOM 0 HG2 LYS A 130 12.546 -15.649 -37.276 1.00 0.00 H new ATOM 0 HG3 LYS A 130 12.792 -14.991 -35.670 1.00 0.00 H new ATOM 0 HD2 LYS A 130 11.470 -12.951 -36.303 1.00 0.00 H new ATOM 0 HD3 LYS A 130 11.225 -13.609 -37.909 1.00 0.00 H new ATOM 0 HE2 LYS A 130 10.330 -14.972 -35.316 1.00 0.00 H new ATOM 0 HE3 LYS A 130 9.274 -14.058 -36.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.012 -16.249 -37.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 10.130 -15.637 -38.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 10.661 -16.620 -36.925 1.00 0.00 H new ATOM 867 N ASN A 131 17.132 -13.407 -37.120 1.00 0.00 N ATOM 868 CA ASN A 131 18.262 -12.735 -37.748 1.00 0.00 C ATOM 869 C ASN A 131 19.429 -13.700 -37.930 1.00 0.00 C ATOM 870 O ASN A 131 20.386 -13.403 -38.644 1.00 0.00 O ATOM 871 CB ASN A 131 18.707 -11.551 -36.887 1.00 0.00 C ATOM 872 CG ASN A 131 19.828 -10.789 -37.587 1.00 0.00 C ATOM 873 OD1 ASN A 131 20.989 -11.195 -37.524 1.00 0.00 O ATOM 874 ND2 ASN A 131 19.549 -9.703 -38.253 1.00 0.00 N ATOM 0 H ASN A 131 17.081 -13.297 -36.107 1.00 0.00 H new ATOM 0 HA ASN A 131 17.948 -12.376 -38.728 1.00 0.00 H new ATOM 0 HB2 ASN A 131 17.863 -10.886 -36.704 1.00 0.00 H new ATOM 0 HB3 ASN A 131 19.049 -11.906 -35.915 1.00 0.00 H new ATOM 0 HD21 ASN A 131 20.293 -9.188 -38.723 1.00 0.00 H new ATOM 0 HD22 ASN A 131 18.587 -9.369 -38.304 1.00 0.00 H new ATOM 881 N GLY A 132 19.340 -14.854 -37.281 1.00 0.00 N ATOM 882 CA GLY A 132 20.391 -15.860 -37.376 1.00 0.00 C ATOM 883 C GLY A 132 21.436 -15.659 -36.285 1.00 0.00 C ATOM 884 O GLY A 132 22.259 -16.540 -36.033 1.00 0.00 O ATOM 0 H GLY A 132 18.555 -15.116 -36.685 1.00 0.00 H new ATOM 0 HA2 GLY A 132 19.956 -16.856 -37.289 1.00 0.00 H new ATOM 0 HA3 GLY A 132 20.866 -15.804 -38.355 1.00 0.00 H new ATOM 888 N GLU A 133 21.388 -14.501 -35.631 1.00 0.00 N ATOM 889 CA GLU A 133 22.332 -14.199 -34.560 1.00 0.00 C ATOM 890 C GLU A 133 21.644 -14.290 -33.203 1.00 0.00 C ATOM 891 O GLU A 133 20.674 -13.577 -32.944 1.00 0.00 O ATOM 892 CB GLU A 133 22.910 -12.797 -34.753 1.00 0.00 C ATOM 893 CG GLU A 133 23.943 -12.516 -33.659 1.00 0.00 C ATOM 894 CD GLU A 133 24.639 -11.188 -33.930 1.00 0.00 C ATOM 895 OE1 GLU A 133 24.264 -10.528 -34.885 1.00 0.00 O ATOM 896 OE2 GLU A 133 25.547 -10.856 -33.185 1.00 0.00 O ATOM 0 H GLU A 133 20.711 -13.762 -35.822 1.00 0.00 H new ATOM 0 HA GLU A 133 23.141 -14.929 -34.594 1.00 0.00 H new ATOM 0 HB2 GLU A 133 23.374 -12.716 -35.736 1.00 0.00 H new ATOM 0 HB3 GLU A 133 22.113 -12.055 -34.714 1.00 0.00 H new ATOM 0 HG2 GLU A 133 23.455 -12.488 -32.685 1.00 0.00 H new ATOM 0 HG3 GLU A 133 24.677 -13.321 -33.625 1.00 0.00 H new ATOM 903 N THR A 134 22.152 -15.167 -32.343 1.00 0.00 N ATOM 904 CA THR A 134 21.578 -15.346 -31.013 1.00 0.00 C ATOM 905 C THR A 134 22.561 -14.886 -29.941 1.00 0.00 C ATOM 906 O THR A 134 22.435 -15.252 -28.774 1.00 0.00 O ATOM 907 CB THR A 134 21.224 -16.815 -30.787 1.00 0.00 C ATOM 908 OG1 THR A 134 22.408 -17.599 -30.826 1.00 0.00 O ATOM 909 CG2 THR A 134 20.267 -17.285 -31.884 1.00 0.00 C ATOM 0 H THR A 134 22.956 -15.762 -32.541 1.00 0.00 H new ATOM 0 HA THR A 134 20.673 -14.743 -30.945 1.00 0.00 H new ATOM 0 HB THR A 134 20.745 -16.927 -29.814 1.00 0.00 H new ATOM 0 HG1 THR A 134 22.181 -18.541 -30.679 1.00 0.00 H new ATOM 0 HG21 THR A 134 20.015 -18.333 -31.722 1.00 0.00 H new ATOM 0 HG22 THR A 134 19.358 -16.684 -31.856 1.00 0.00 H new ATOM 0 HG23 THR A 134 20.746 -17.173 -32.857 1.00 0.00 H new ATOM 917 N SER A 135 23.541 -14.085 -30.347 1.00 0.00 N ATOM 918 CA SER A 135 24.544 -13.588 -29.413 1.00 0.00 C ATOM 919 C SER A 135 23.883 -12.794 -28.293 1.00 0.00 C ATOM 920 O SER A 135 24.258 -12.921 -27.126 1.00 0.00 O ATOM 921 CB SER A 135 25.546 -12.696 -30.148 1.00 0.00 C ATOM 922 OG SER A 135 26.503 -12.200 -29.220 1.00 0.00 O ATOM 0 H SER A 135 23.662 -13.768 -31.309 1.00 0.00 H new ATOM 0 HA SER A 135 25.066 -14.442 -28.981 1.00 0.00 H new ATOM 0 HB2 SER A 135 26.045 -13.262 -30.935 1.00 0.00 H new ATOM 0 HB3 SER A 135 25.027 -11.868 -30.631 1.00 0.00 H new ATOM 0 HG SER A 135 27.147 -11.629 -29.688 1.00 0.00 H new ATOM 928 N LEU A 136 22.898 -11.979 -28.651 1.00 0.00 N ATOM 929 CA LEU A 136 22.190 -11.174 -27.664 1.00 0.00 C ATOM 930 C LEU A 136 21.058 -11.971 -27.031 1.00 0.00 C ATOM 931 O LEU A 136 20.519 -12.891 -27.647 1.00 0.00 O ATOM 932 CB LEU A 136 21.622 -9.916 -28.329 1.00 0.00 C ATOM 933 CG LEU A 136 22.703 -8.833 -28.385 1.00 0.00 C ATOM 934 CD1 LEU A 136 23.029 -8.350 -26.969 1.00 0.00 C ATOM 935 CD2 LEU A 136 23.968 -9.414 -29.027 1.00 0.00 C ATOM 0 H LEU A 136 22.573 -11.859 -29.610 1.00 0.00 H new ATOM 0 HA LEU A 136 22.895 -10.888 -26.884 1.00 0.00 H new ATOM 0 HB2 LEU A 136 21.274 -10.150 -29.335 1.00 0.00 H new ATOM 0 HB3 LEU A 136 20.759 -9.554 -27.770 1.00 0.00 H new ATOM 0 HG LEU A 136 22.341 -7.992 -28.977 1.00 0.00 H new ATOM 0 HD11 LEU A 136 23.799 -7.580 -27.016 1.00 0.00 H new ATOM 0 HD12 LEU A 136 22.131 -7.938 -26.509 1.00 0.00 H new ATOM 0 HD13 LEU A 136 23.390 -9.188 -26.373 1.00 0.00 H new ATOM 0 HD21 LEU A 136 24.740 -8.646 -29.069 1.00 0.00 H new ATOM 0 HD22 LEU A 136 24.324 -10.255 -28.432 1.00 0.00 H new ATOM 0 HD23 LEU A 136 23.740 -9.755 -30.037 1.00 0.00 H new ATOM 947 N LYS A 137 20.708 -11.613 -25.796 1.00 0.00 N ATOM 948 CA LYS A 137 19.649 -12.301 -25.090 1.00 0.00 C ATOM 949 C LYS A 137 18.649 -11.308 -24.501 1.00 0.00 C ATOM 950 O LYS A 137 19.010 -10.175 -24.188 1.00 0.00 O ATOM 951 CB LYS A 137 20.237 -13.170 -23.974 1.00 0.00 C ATOM 952 CG LYS A 137 21.249 -12.353 -23.176 1.00 0.00 C ATOM 953 CD LYS A 137 21.852 -13.223 -22.073 1.00 0.00 C ATOM 954 CE LYS A 137 23.008 -12.473 -21.409 1.00 0.00 C ATOM 955 NZ LYS A 137 22.497 -11.217 -20.792 1.00 0.00 N ATOM 0 H LYS A 137 21.145 -10.854 -25.273 1.00 0.00 H new ATOM 0 HA LYS A 137 19.124 -12.937 -25.803 1.00 0.00 H new ATOM 0 HB2 LYS A 137 19.442 -13.526 -23.318 1.00 0.00 H new ATOM 0 HB3 LYS A 137 20.718 -14.051 -24.399 1.00 0.00 H new ATOM 0 HG2 LYS A 137 22.036 -11.986 -23.835 1.00 0.00 H new ATOM 0 HG3 LYS A 137 20.764 -11.479 -22.740 1.00 0.00 H new ATOM 0 HD2 LYS A 137 21.091 -13.470 -21.333 1.00 0.00 H new ATOM 0 HD3 LYS A 137 22.207 -14.165 -22.491 1.00 0.00 H new ATOM 0 HE2 LYS A 137 23.474 -13.101 -20.649 1.00 0.00 H new ATOM 0 HE3 LYS A 137 23.777 -12.242 -22.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 23.228 -10.812 -20.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 22.259 -10.535 -21.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 21.646 -11.427 -20.232 1.00 0.00 H new ATOM 969 N PRO A 138 17.420 -11.715 -24.327 1.00 0.00 N ATOM 970 CA PRO A 138 16.358 -10.848 -23.744 1.00 0.00 C ATOM 971 C PRO A 138 16.799 -10.204 -22.434 1.00 0.00 C ATOM 972 O PRO A 138 16.221 -9.214 -22.003 1.00 0.00 O ATOM 973 CB PRO A 138 15.195 -11.817 -23.501 1.00 0.00 C ATOM 974 CG PRO A 138 15.402 -12.936 -24.462 1.00 0.00 C ATOM 975 CD PRO A 138 16.895 -13.047 -24.686 1.00 0.00 C ATOM 0 HA PRO A 138 16.102 -10.017 -24.401 1.00 0.00 H new ATOM 0 HB2 PRO A 138 15.193 -12.178 -22.473 1.00 0.00 H new ATOM 0 HB3 PRO A 138 14.235 -11.328 -23.669 1.00 0.00 H new ATOM 0 HG2 PRO A 138 15.000 -13.868 -24.063 1.00 0.00 H new ATOM 0 HG3 PRO A 138 14.883 -12.741 -25.401 1.00 0.00 H new ATOM 0 HD2 PRO A 138 17.333 -13.828 -24.064 1.00 0.00 H new ATOM 0 HD3 PRO A 138 17.124 -13.298 -25.722 1.00 0.00 H new ATOM 983 N GLU A 139 17.815 -10.783 -21.803 1.00 0.00 N ATOM 984 CA GLU A 139 18.327 -10.257 -20.541 1.00 0.00 C ATOM 985 C GLU A 139 19.406 -9.206 -20.791 1.00 0.00 C ATOM 986 O GLU A 139 19.940 -8.616 -19.852 1.00 0.00 O ATOM 987 CB GLU A 139 18.903 -11.394 -19.698 1.00 0.00 C ATOM 988 CG GLU A 139 17.777 -12.341 -19.278 1.00 0.00 C ATOM 989 CD GLU A 139 18.352 -13.531 -18.516 1.00 0.00 C ATOM 990 OE1 GLU A 139 19.556 -13.558 -18.320 1.00 0.00 O ATOM 991 OE2 GLU A 139 17.581 -14.402 -18.149 1.00 0.00 O ATOM 0 H GLU A 139 18.299 -11.614 -22.143 1.00 0.00 H new ATOM 0 HA GLU A 139 17.502 -9.789 -20.005 1.00 0.00 H new ATOM 0 HB2 GLU A 139 19.656 -11.938 -20.268 1.00 0.00 H new ATOM 0 HB3 GLU A 139 19.401 -10.991 -18.816 1.00 0.00 H new ATOM 0 HG2 GLU A 139 17.059 -11.811 -18.652 1.00 0.00 H new ATOM 0 HG3 GLU A 139 17.236 -12.689 -20.158 1.00 0.00 H new ATOM 998 N ASP A 140 19.726 -8.984 -22.059 1.00 0.00 N ATOM 999 CA ASP A 140 20.745 -8.007 -22.425 1.00 0.00 C ATOM 1000 C ASP A 140 20.134 -6.619 -22.587 1.00 0.00 C ATOM 1001 O ASP A 140 20.822 -5.608 -22.454 1.00 0.00 O ATOM 1002 CB ASP A 140 21.427 -8.425 -23.727 1.00 0.00 C ATOM 1003 CG ASP A 140 22.597 -7.493 -24.024 1.00 0.00 C ATOM 1004 OD1 ASP A 140 23.693 -7.789 -23.578 1.00 0.00 O ATOM 1005 OD2 ASP A 140 22.379 -6.498 -24.696 1.00 0.00 O ATOM 0 H ASP A 140 19.297 -9.465 -22.850 1.00 0.00 H new ATOM 0 HA ASP A 140 21.484 -7.969 -21.625 1.00 0.00 H new ATOM 0 HB2 ASP A 140 21.781 -9.453 -23.648 1.00 0.00 H new ATOM 0 HB3 ASP A 140 20.711 -8.396 -24.548 1.00 0.00 H new ATOM 1010 N PHE A 141 18.843 -6.580 -22.886 1.00 0.00 N ATOM 1011 CA PHE A 141 18.151 -5.311 -23.076 1.00 0.00 C ATOM 1012 C PHE A 141 18.330 -4.415 -21.854 1.00 0.00 C ATOM 1013 O PHE A 141 18.158 -4.857 -20.718 1.00 0.00 O ATOM 1014 CB PHE A 141 16.657 -5.563 -23.307 1.00 0.00 C ATOM 1015 CG PHE A 141 15.962 -5.774 -21.981 1.00 0.00 C ATOM 1016 CD1 PHE A 141 16.432 -6.746 -21.090 1.00 0.00 C ATOM 1017 CD2 PHE A 141 14.855 -4.989 -21.641 1.00 0.00 C ATOM 1018 CE1 PHE A 141 15.795 -6.934 -19.859 1.00 0.00 C ATOM 1019 CE2 PHE A 141 14.215 -5.178 -20.408 1.00 0.00 C ATOM 1020 CZ PHE A 141 14.685 -6.152 -19.518 1.00 0.00 C ATOM 0 H PHE A 141 18.256 -7.406 -23.002 1.00 0.00 H new ATOM 0 HA PHE A 141 18.578 -4.812 -23.946 1.00 0.00 H new ATOM 0 HB2 PHE A 141 16.213 -4.716 -23.830 1.00 0.00 H new ATOM 0 HB3 PHE A 141 16.520 -6.438 -23.943 1.00 0.00 H new ATOM 0 HD1 PHE A 141 17.287 -7.351 -21.353 1.00 0.00 H new ATOM 0 HD2 PHE A 141 14.494 -4.238 -22.328 1.00 0.00 H new ATOM 0 HE1 PHE A 141 16.160 -7.683 -19.171 1.00 0.00 H new ATOM 0 HE2 PHE A 141 13.360 -4.573 -20.145 1.00 0.00 H new ATOM 0 HZ PHE A 141 14.191 -6.300 -18.569 1.00 0.00 H new ATOM 1030 N ASP A 142 18.673 -3.155 -22.097 1.00 0.00 N ATOM 1031 CA ASP A 142 18.867 -2.200 -21.011 1.00 0.00 C ATOM 1032 C ASP A 142 17.924 -1.012 -21.172 1.00 0.00 C ATOM 1033 O ASP A 142 18.164 -0.125 -21.990 1.00 0.00 O ATOM 1034 CB ASP A 142 20.316 -1.712 -20.998 1.00 0.00 C ATOM 1035 CG ASP A 142 20.531 -0.753 -19.832 1.00 0.00 C ATOM 1036 OD1 ASP A 142 19.547 -0.330 -19.246 1.00 0.00 O ATOM 1037 OD2 ASP A 142 21.677 -0.458 -19.537 1.00 0.00 O ATOM 0 H ASP A 142 18.822 -2.772 -23.031 1.00 0.00 H new ATOM 0 HA ASP A 142 18.646 -2.698 -20.067 1.00 0.00 H new ATOM 0 HB2 ASP A 142 20.994 -2.561 -20.911 1.00 0.00 H new ATOM 0 HB3 ASP A 142 20.549 -1.213 -21.938 1.00 0.00 H new ATOM 1042 N PHE A 143 16.852 -1.003 -20.386 1.00 0.00 N ATOM 1043 CA PHE A 143 15.879 0.082 -20.453 1.00 0.00 C ATOM 1044 C PHE A 143 16.152 1.114 -19.364 1.00 0.00 C ATOM 1045 O PHE A 143 17.138 1.015 -18.634 1.00 0.00 O ATOM 1046 CB PHE A 143 14.465 -0.474 -20.291 1.00 0.00 C ATOM 1047 CG PHE A 143 14.110 -0.536 -18.824 1.00 0.00 C ATOM 1048 CD1 PHE A 143 14.609 -1.571 -18.026 1.00 0.00 C ATOM 1049 CD2 PHE A 143 13.283 0.444 -18.264 1.00 0.00 C ATOM 1050 CE1 PHE A 143 14.281 -1.625 -16.665 1.00 0.00 C ATOM 1051 CE2 PHE A 143 12.953 0.391 -16.904 1.00 0.00 C ATOM 1052 CZ PHE A 143 13.453 -0.645 -16.105 1.00 0.00 C ATOM 0 H PHE A 143 16.636 -1.727 -19.701 1.00 0.00 H new ATOM 0 HA PHE A 143 15.968 0.566 -21.426 1.00 0.00 H new ATOM 0 HB2 PHE A 143 13.752 0.157 -20.822 1.00 0.00 H new ATOM 0 HB3 PHE A 143 14.401 -1.468 -20.733 1.00 0.00 H new ATOM 0 HD1 PHE A 143 15.247 -2.328 -18.459 1.00 0.00 H new ATOM 0 HD2 PHE A 143 12.899 1.242 -18.881 1.00 0.00 H new ATOM 0 HE1 PHE A 143 14.667 -2.423 -16.048 1.00 0.00 H new ATOM 0 HE2 PHE A 143 12.314 1.147 -16.472 1.00 0.00 H new ATOM 0 HZ PHE A 143 13.200 -0.688 -15.056 1.00 0.00 H new