USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=14 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 127 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 131 ASN : amide:sc= -0.512 K(o=-0.51,f=-1.2) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -168:sc= 0.0542 (180deg=-0.332) USER MOD Single : A 96 GLN : amide:sc= -0.847 X(o=-0.85,f=-0.49) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -1.95! USER MOD Single : A 112 SER OG : rot -13:sc= -0.693 USER MOD Single : A 114 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.44) 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= -0.0521 (180deg=-0.581) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -86:sc= 0.779 USER MOD Single : A 126 ASN : amide:sc= -0.0653 K(o=-0.065,f=-1.3!) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ -114:sc= -0.855 (180deg=-2.63!) 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+ 164:sc= -0.0322 (180deg=-0.415) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 24.911 0.486 -25.579 1.00 0.00 N ATOM 135 CA PRO A 87 25.776 -0.418 -26.396 1.00 0.00 C ATOM 136 C PRO A 87 25.706 -0.078 -27.884 1.00 0.00 C ATOM 137 O PRO A 87 24.643 0.265 -28.405 1.00 0.00 O ATOM 138 CB PRO A 87 25.197 -1.811 -26.131 1.00 0.00 C ATOM 139 CG PRO A 87 24.484 -1.699 -24.826 1.00 0.00 C ATOM 140 CD PRO A 87 23.949 -0.272 -24.765 1.00 0.00 C ATOM 0 HA PRO A 87 26.829 -0.332 -26.129 1.00 0.00 H new ATOM 0 HB2 PRO A 87 24.516 -2.112 -26.927 1.00 0.00 H new ATOM 0 HB3 PRO A 87 25.985 -2.562 -26.085 1.00 0.00 H new ATOM 0 HG2 PRO A 87 23.673 -2.424 -24.760 1.00 0.00 H new ATOM 0 HG3 PRO A 87 25.159 -1.900 -23.994 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.939 -0.204 -25.169 1.00 0.00 H new ATOM 0 HD3 PRO A 87 23.909 0.099 -23.741 1.00 0.00 H new ATOM 148 N CYS A 88 26.845 -0.172 -28.560 1.00 0.00 N ATOM 149 CA CYS A 88 26.904 0.131 -29.985 1.00 0.00 C ATOM 150 C CYS A 88 26.205 -0.956 -30.795 1.00 0.00 C ATOM 151 O CYS A 88 26.155 -2.115 -30.384 1.00 0.00 O ATOM 152 CB CYS A 88 28.364 0.245 -30.435 1.00 0.00 C ATOM 153 SG CYS A 88 29.118 1.702 -29.672 1.00 0.00 S ATOM 0 H CYS A 88 27.735 -0.454 -28.148 1.00 0.00 H new ATOM 0 HA CYS A 88 26.395 1.079 -30.156 1.00 0.00 H new ATOM 0 HB2 CYS A 88 28.914 -0.653 -30.152 1.00 0.00 H new ATOM 0 HB3 CYS A 88 28.416 0.322 -31.521 1.00 0.00 H new ATOM 0 HG CYS A 88 30.358 1.798 -30.052 1.00 0.00 H new ATOM 159 N GLY A 89 25.667 -0.572 -31.947 1.00 0.00 N ATOM 160 CA GLY A 89 24.974 -1.521 -32.811 1.00 0.00 C ATOM 161 C GLY A 89 23.471 -1.485 -32.570 1.00 0.00 C ATOM 162 O GLY A 89 22.693 -1.955 -33.397 1.00 0.00 O ATOM 0 H GLY A 89 25.697 0.383 -32.303 1.00 0.00 H new ATOM 0 HA2 GLY A 89 25.184 -1.288 -33.855 1.00 0.00 H new ATOM 0 HA3 GLY A 89 25.351 -2.527 -32.627 1.00 0.00 H new ATOM 166 N TRP A 90 23.072 -0.918 -31.437 1.00 0.00 N ATOM 167 CA TRP A 90 21.658 -0.812 -31.092 1.00 0.00 C ATOM 168 C TRP A 90 21.224 0.648 -31.040 1.00 0.00 C ATOM 169 O TRP A 90 22.031 1.532 -30.755 1.00 0.00 O ATOM 170 CB TRP A 90 21.395 -1.476 -29.743 1.00 0.00 C ATOM 171 CG TRP A 90 21.542 -2.956 -29.881 1.00 0.00 C ATOM 172 CD1 TRP A 90 22.695 -3.642 -29.708 1.00 0.00 C ATOM 173 CD2 TRP A 90 20.523 -3.946 -30.210 1.00 0.00 C ATOM 174 NE1 TRP A 90 22.450 -4.988 -29.913 1.00 0.00 N ATOM 175 CE2 TRP A 90 21.125 -5.225 -30.225 1.00 0.00 C ATOM 176 CE3 TRP A 90 19.148 -3.856 -30.495 1.00 0.00 C ATOM 177 CZ2 TRP A 90 20.390 -6.377 -30.512 1.00 0.00 C ATOM 178 CZ3 TRP A 90 18.405 -5.014 -30.784 1.00 0.00 C ATOM 179 CH2 TRP A 90 19.026 -6.270 -30.792 1.00 0.00 C ATOM 0 H TRP A 90 23.707 -0.525 -30.742 1.00 0.00 H new ATOM 0 HA TRP A 90 21.079 -1.321 -31.863 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.094 -1.098 -28.997 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.392 -1.230 -29.394 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.651 -3.209 -29.452 1.00 0.00 H new ATOM 0 HE1 TRP A 90 23.161 -5.716 -29.842 1.00 0.00 H new ATOM 0 HE3 TRP A 90 18.661 -2.892 -30.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 20.873 -7.343 -30.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 17.350 -4.935 -31.001 1.00 0.00 H new ATOM 0 HH2 TRP A 90 18.450 -7.156 -31.015 1.00 0.00 H new ATOM 190 N GLU A 91 19.946 0.892 -31.317 1.00 0.00 N ATOM 191 CA GLU A 91 19.413 2.251 -31.294 1.00 0.00 C ATOM 192 C GLU A 91 18.336 2.382 -30.225 1.00 0.00 C ATOM 193 O GLU A 91 17.616 1.428 -29.936 1.00 0.00 O ATOM 194 CB GLU A 91 18.824 2.606 -32.659 1.00 0.00 C ATOM 195 CG GLU A 91 18.686 4.125 -32.777 1.00 0.00 C ATOM 196 CD GLU A 91 20.063 4.771 -32.889 1.00 0.00 C ATOM 197 OE1 GLU A 91 20.534 4.921 -34.004 1.00 0.00 O ATOM 198 OE2 GLU A 91 20.627 5.103 -31.860 1.00 0.00 O ATOM 0 H GLU A 91 19.265 0.172 -31.558 1.00 0.00 H new ATOM 0 HA GLU A 91 20.228 2.937 -31.062 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.466 2.226 -33.454 1.00 0.00 H new ATOM 0 HB3 GLU A 91 17.850 2.131 -32.781 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.086 4.376 -33.652 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.161 4.519 -31.907 1.00 0.00 H new ATOM 205 N ARG A 92 18.234 3.572 -29.637 1.00 0.00 N ATOM 206 CA ARG A 92 17.240 3.827 -28.600 1.00 0.00 C ATOM 207 C ARG A 92 16.393 5.044 -28.950 1.00 0.00 C ATOM 208 O ARG A 92 16.912 6.065 -29.395 1.00 0.00 O ATOM 209 CB ARG A 92 17.932 4.054 -27.255 1.00 0.00 C ATOM 210 CG ARG A 92 18.400 2.713 -26.686 1.00 0.00 C ATOM 211 CD ARG A 92 19.289 2.959 -25.467 1.00 0.00 C ATOM 212 NE ARG A 92 19.538 1.704 -24.765 1.00 0.00 N ATOM 213 CZ ARG A 92 20.411 0.817 -25.228 1.00 0.00 C ATOM 214 NH1 ARG A 92 21.063 1.059 -26.332 1.00 0.00 N ATOM 215 NH2 ARG A 92 20.617 -0.297 -24.579 1.00 0.00 N ATOM 0 H ARG A 92 18.826 4.372 -29.861 1.00 0.00 H new ATOM 0 HA ARG A 92 16.588 2.956 -28.531 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.783 4.724 -27.381 1.00 0.00 H new ATOM 0 HB3 ARG A 92 17.246 4.537 -26.559 1.00 0.00 H new ATOM 0 HG2 ARG A 92 17.540 2.105 -26.405 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.950 2.156 -27.444 1.00 0.00 H new ATOM 0 HD2 ARG A 92 20.234 3.403 -25.780 1.00 0.00 H new ATOM 0 HD3 ARG A 92 18.809 3.671 -24.795 1.00 0.00 H new ATOM 0 HE ARG A 92 19.032 1.504 -23.902 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.902 1.929 -26.839 1.00 0.00 H new ATOM 0 HH12 ARG A 92 21.734 0.378 -26.688 1.00 0.00 H new ATOM 0 HH21 ARG A 92 20.107 -0.486 -23.716 1.00 0.00 H new ATOM 0 HH22 ARG A 92 21.288 -0.978 -24.935 1.00 0.00 H new ATOM 229 N VAL A 93 15.085 4.923 -28.753 1.00 0.00 N ATOM 230 CA VAL A 93 14.164 6.012 -29.049 1.00 0.00 C ATOM 231 C VAL A 93 13.205 6.251 -27.892 1.00 0.00 C ATOM 232 O VAL A 93 12.699 5.302 -27.293 1.00 0.00 O ATOM 233 CB VAL A 93 13.370 5.692 -30.316 1.00 0.00 C ATOM 234 CG1 VAL A 93 12.181 6.649 -30.424 1.00 0.00 C ATOM 235 CG2 VAL A 93 14.272 5.870 -31.542 1.00 0.00 C ATOM 0 H VAL A 93 14.639 4.081 -28.389 1.00 0.00 H new ATOM 0 HA VAL A 93 14.750 6.918 -29.202 1.00 0.00 H new ATOM 0 HB VAL A 93 13.012 4.663 -30.271 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.613 6.423 -31.327 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.538 6.531 -29.552 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.544 7.676 -30.471 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.707 5.642 -32.446 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.627 6.900 -31.586 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.125 5.195 -31.467 1.00 0.00 H new ATOM 245 N VAL A 94 12.959 7.522 -27.582 1.00 0.00 N ATOM 246 CA VAL A 94 12.048 7.869 -26.499 1.00 0.00 C ATOM 247 C VAL A 94 11.002 8.864 -26.983 1.00 0.00 C ATOM 248 O VAL A 94 11.340 9.932 -27.493 1.00 0.00 O ATOM 249 CB VAL A 94 12.829 8.469 -25.331 1.00 0.00 C ATOM 250 CG1 VAL A 94 13.911 7.486 -24.882 1.00 0.00 C ATOM 251 CG2 VAL A 94 13.482 9.779 -25.777 1.00 0.00 C ATOM 0 H VAL A 94 13.374 8.321 -28.062 1.00 0.00 H new ATOM 0 HA VAL A 94 11.544 6.962 -26.166 1.00 0.00 H new ATOM 0 HB VAL A 94 12.150 8.664 -24.501 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.468 7.914 -24.049 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.446 6.552 -24.566 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.591 7.290 -25.711 1.00 0.00 H new ATOM 0 HG21 VAL A 94 14.040 10.209 -24.945 1.00 0.00 H new ATOM 0 HG22 VAL A 94 14.161 9.583 -26.607 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.711 10.479 -26.097 1.00 0.00 H new ATOM 261 N LYS A 95 9.729 8.512 -26.812 1.00 0.00 N ATOM 262 CA LYS A 95 8.641 9.386 -27.237 1.00 0.00 C ATOM 263 C LYS A 95 7.682 9.656 -26.077 1.00 0.00 C ATOM 264 O LYS A 95 7.268 8.740 -25.370 1.00 0.00 O ATOM 265 CB LYS A 95 7.872 8.733 -28.392 1.00 0.00 C ATOM 266 CG LYS A 95 7.226 7.432 -27.912 1.00 0.00 C ATOM 267 CD LYS A 95 6.572 6.715 -29.093 1.00 0.00 C ATOM 268 CE LYS A 95 5.828 5.476 -28.588 1.00 0.00 C ATOM 269 NZ LYS A 95 6.793 4.549 -27.933 1.00 0.00 N ATOM 0 H LYS A 95 9.429 7.635 -26.386 1.00 0.00 H new ATOM 0 HA LYS A 95 9.068 10.333 -27.568 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.107 9.415 -28.763 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.548 8.530 -29.223 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.978 6.789 -27.455 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.481 7.646 -27.146 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.880 7.386 -29.602 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.329 6.426 -29.822 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.051 5.768 -27.881 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.331 4.974 -29.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.336 3.629 -27.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.623 4.422 -28.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.095 4.949 -27.022 1.00 0.00 H new ATOM 283 N GLN A 96 7.343 10.923 -25.889 1.00 0.00 N ATOM 284 CA GLN A 96 6.437 11.314 -24.816 1.00 0.00 C ATOM 285 C GLN A 96 5.044 11.584 -25.371 1.00 0.00 C ATOM 286 O GLN A 96 4.897 12.094 -26.481 1.00 0.00 O ATOM 287 CB GLN A 96 6.958 12.562 -24.106 1.00 0.00 C ATOM 288 CG GLN A 96 7.904 12.150 -22.976 1.00 0.00 C ATOM 289 CD GLN A 96 9.057 11.323 -23.532 1.00 0.00 C ATOM 290 OE1 GLN A 96 9.838 11.813 -24.347 1.00 0.00 O ATOM 291 NE2 GLN A 96 9.202 10.084 -23.146 1.00 0.00 N ATOM 0 H GLN A 96 7.680 11.696 -26.463 1.00 0.00 H new ATOM 0 HA GLN A 96 6.382 10.495 -24.099 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.480 13.205 -24.815 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.125 13.139 -23.705 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.291 13.037 -22.474 1.00 0.00 H new ATOM 0 HG3 GLN A 96 7.360 11.573 -22.228 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.553 9.681 -22.470 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.964 9.519 -23.520 1.00 0.00 H new ATOM 300 N ARG A 97 4.026 11.231 -24.597 1.00 0.00 N ATOM 301 CA ARG A 97 2.644 11.447 -25.019 1.00 0.00 C ATOM 302 C ARG A 97 2.107 12.762 -24.454 1.00 0.00 C ATOM 303 O ARG A 97 1.975 12.922 -23.244 1.00 0.00 O ATOM 304 CB ARG A 97 1.759 10.294 -24.542 1.00 0.00 C ATOM 305 CG ARG A 97 2.236 9.821 -23.165 1.00 0.00 C ATOM 306 CD ARG A 97 1.202 8.871 -22.564 1.00 0.00 C ATOM 307 NE ARG A 97 1.644 7.490 -22.703 1.00 0.00 N ATOM 308 CZ ARG A 97 0.818 6.478 -22.464 1.00 0.00 C ATOM 309 NH1 ARG A 97 -0.412 6.714 -22.099 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.240 5.250 -22.586 1.00 0.00 N ATOM 0 H ARG A 97 4.127 10.797 -23.680 1.00 0.00 H new ATOM 0 HA ARG A 97 2.626 11.493 -26.108 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.720 10.618 -24.487 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.800 9.471 -25.255 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.198 9.317 -23.255 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.385 10.677 -22.507 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.050 9.107 -21.511 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.242 9.005 -23.063 1.00 0.00 H new ATOM 0 HE ARG A 97 2.604 7.297 -22.989 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.738 7.675 -21.997 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.047 5.937 -21.915 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.204 5.067 -22.865 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.606 4.472 -22.403 1.00 0.00 H new ATOM 324 N LEU A 98 1.799 13.695 -25.345 1.00 0.00 N ATOM 325 CA LEU A 98 1.274 14.994 -24.938 1.00 0.00 C ATOM 326 C LEU A 98 -0.213 15.079 -25.203 1.00 0.00 C ATOM 327 O LEU A 98 -0.821 16.135 -25.026 1.00 0.00 O ATOM 328 CB LEU A 98 2.003 16.122 -25.686 1.00 0.00 C ATOM 329 CG LEU A 98 3.513 16.034 -25.429 1.00 0.00 C ATOM 330 CD1 LEU A 98 3.774 15.982 -23.919 1.00 0.00 C ATOM 331 CD2 LEU A 98 4.080 14.772 -26.087 1.00 0.00 C ATOM 0 H LEU A 98 1.903 13.578 -26.353 1.00 0.00 H new ATOM 0 HA LEU A 98 1.443 15.108 -23.867 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.803 16.049 -26.755 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.626 17.090 -25.357 1.00 0.00 H new ATOM 0 HG LEU A 98 4.000 16.912 -25.854 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.847 15.919 -23.737 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.378 16.883 -23.450 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.282 15.106 -23.495 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.153 14.715 -25.901 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.592 13.892 -25.668 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.900 14.809 -27.161 1.00 0.00 H new ATOM 343 N PHE A 99 -0.795 13.966 -25.633 1.00 0.00 N ATOM 344 CA PHE A 99 -2.223 13.934 -25.927 1.00 0.00 C ATOM 345 C PHE A 99 -2.888 12.753 -25.227 1.00 0.00 C ATOM 346 O PHE A 99 -2.303 11.674 -25.118 1.00 0.00 O ATOM 347 CB PHE A 99 -2.430 13.807 -27.439 1.00 0.00 C ATOM 348 CG PHE A 99 -1.425 14.674 -28.158 1.00 0.00 C ATOM 349 CD1 PHE A 99 -0.093 14.250 -28.267 1.00 0.00 C ATOM 350 CD2 PHE A 99 -1.820 15.892 -28.723 1.00 0.00 C ATOM 351 CE1 PHE A 99 0.842 15.049 -28.938 1.00 0.00 C ATOM 352 CE2 PHE A 99 -0.885 16.691 -29.391 1.00 0.00 C ATOM 353 CZ PHE A 99 0.447 16.269 -29.499 1.00 0.00 C ATOM 0 H PHE A 99 -0.307 13.083 -25.785 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.674 14.858 -25.565 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.316 12.768 -27.747 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.443 14.109 -27.705 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.212 13.309 -27.834 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.847 16.216 -28.643 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.868 14.723 -29.022 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.190 17.633 -29.823 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.169 16.885 -30.015 1.00 0.00 H new ATOM 363 N GLY A 100 -4.114 12.964 -24.755 1.00 0.00 N ATOM 364 CA GLY A 100 -4.850 11.911 -24.069 1.00 0.00 C ATOM 365 C GLY A 100 -4.859 12.146 -22.564 1.00 0.00 C ATOM 366 O GLY A 100 -3.951 12.772 -22.016 1.00 0.00 O ATOM 0 H GLY A 100 -4.614 13.849 -24.835 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.874 11.875 -24.442 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.397 10.944 -24.287 1.00 0.00 H new ATOM 370 N LYS A 101 -5.890 11.640 -21.900 1.00 0.00 N ATOM 371 CA LYS A 101 -6.008 11.798 -20.462 1.00 0.00 C ATOM 372 C LYS A 101 -4.876 11.069 -19.741 1.00 0.00 C ATOM 373 O LYS A 101 -4.525 11.409 -18.610 1.00 0.00 O ATOM 374 CB LYS A 101 -7.355 11.254 -19.979 1.00 0.00 C ATOM 375 CG LYS A 101 -7.709 11.866 -18.618 1.00 0.00 C ATOM 376 CD LYS A 101 -7.732 10.769 -17.552 1.00 0.00 C ATOM 377 CE LYS A 101 -8.836 9.761 -17.873 1.00 0.00 C ATOM 378 NZ LYS A 101 -9.635 9.495 -16.645 1.00 0.00 N ATOM 0 H LYS A 101 -6.652 11.119 -22.335 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.943 12.862 -20.233 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.133 11.488 -20.706 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.310 10.168 -19.898 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.980 12.631 -18.351 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.681 12.357 -18.670 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.766 10.265 -17.514 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.902 11.208 -16.569 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.480 10.149 -18.662 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.400 8.834 -18.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.387 8.809 -16.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.016 9.107 -15.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.062 10.382 -16.310 1.00 0.00 H new ATOM 392 N THR A 102 -4.323 10.053 -20.396 1.00 0.00 N ATOM 393 CA THR A 102 -3.248 9.270 -19.807 1.00 0.00 C ATOM 394 C THR A 102 -1.892 9.862 -20.170 1.00 0.00 C ATOM 395 O THR A 102 -0.850 9.306 -19.826 1.00 0.00 O ATOM 396 CB THR A 102 -3.326 7.823 -20.298 1.00 0.00 C ATOM 397 OG1 THR A 102 -3.185 7.798 -21.711 1.00 0.00 O ATOM 398 CG2 THR A 102 -4.675 7.219 -19.907 1.00 0.00 C ATOM 0 H THR A 102 -4.602 9.755 -21.331 1.00 0.00 H new ATOM 0 HA THR A 102 -3.360 9.291 -18.723 1.00 0.00 H new ATOM 0 HB THR A 102 -2.526 7.241 -19.841 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.233 6.872 -22.028 1.00 0.00 H new ATOM 0 HG21 THR A 102 -4.728 6.188 -20.258 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.782 7.239 -18.822 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.479 7.799 -20.361 1.00 0.00 H new ATOM 406 N ALA A 103 -1.915 10.994 -20.863 1.00 0.00 N ATOM 407 CA ALA A 103 -0.681 11.657 -21.266 1.00 0.00 C ATOM 408 C ALA A 103 0.204 11.923 -20.055 1.00 0.00 C ATOM 409 O ALA A 103 -0.290 12.073 -18.937 1.00 0.00 O ATOM 410 CB ALA A 103 -1.000 12.980 -21.963 1.00 0.00 C ATOM 0 H ALA A 103 -2.768 11.470 -21.156 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.150 11.001 -21.956 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.072 13.468 -22.260 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.608 12.788 -22.847 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.548 13.629 -21.279 1.00 0.00 H new ATOM 416 N GLY A 104 1.513 11.978 -20.283 1.00 0.00 N ATOM 417 CA GLY A 104 2.463 12.225 -19.202 1.00 0.00 C ATOM 418 C GLY A 104 3.363 11.014 -18.979 1.00 0.00 C ATOM 419 O GLY A 104 4.449 11.135 -18.409 1.00 0.00 O ATOM 0 H GLY A 104 1.939 11.856 -21.202 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.072 13.097 -19.441 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.923 12.455 -18.284 1.00 0.00 H new ATOM 423 N ARG A 105 2.914 9.854 -19.444 1.00 0.00 N ATOM 424 CA ARG A 105 3.692 8.631 -19.300 1.00 0.00 C ATOM 425 C ARG A 105 4.870 8.630 -20.269 1.00 0.00 C ATOM 426 O ARG A 105 4.795 9.209 -21.354 1.00 0.00 O ATOM 427 CB ARG A 105 2.811 7.410 -19.564 1.00 0.00 C ATOM 428 CG ARG A 105 3.361 6.204 -18.799 1.00 0.00 C ATOM 429 CD ARG A 105 2.621 6.071 -17.466 1.00 0.00 C ATOM 430 NE ARG A 105 2.674 7.330 -16.729 1.00 0.00 N ATOM 431 CZ ARG A 105 3.688 7.610 -15.916 1.00 0.00 C ATOM 432 NH1 ARG A 105 4.663 6.753 -15.769 1.00 0.00 N ATOM 433 NH2 ARG A 105 3.714 8.743 -15.271 1.00 0.00 N ATOM 0 H ARG A 105 2.020 9.735 -19.921 1.00 0.00 H new ATOM 0 HA ARG A 105 4.073 8.586 -18.280 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.787 7.614 -19.253 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.783 7.194 -20.632 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.236 5.296 -19.390 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.430 6.326 -18.624 1.00 0.00 H new ATOM 0 HD2 ARG A 105 1.583 5.790 -17.645 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.069 5.275 -16.872 1.00 0.00 H new ATOM 0 HE ARG A 105 1.919 8.007 -16.840 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.646 5.869 -16.278 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.441 6.968 -15.145 1.00 0.00 H new ATOM 0 HH21 ARG A 105 2.956 9.415 -15.390 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.492 8.957 -14.647 1.00 0.00 H new ATOM 447 N PHE A 106 5.964 7.989 -19.870 1.00 0.00 N ATOM 448 CA PHE A 106 7.155 7.941 -20.711 1.00 0.00 C ATOM 449 C PHE A 106 7.237 6.605 -21.442 1.00 0.00 C ATOM 450 O PHE A 106 7.159 5.543 -20.823 1.00 0.00 O ATOM 451 CB PHE A 106 8.405 8.123 -19.844 1.00 0.00 C ATOM 452 CG PHE A 106 8.370 9.484 -19.189 1.00 0.00 C ATOM 453 CD1 PHE A 106 7.744 9.644 -17.946 1.00 0.00 C ATOM 454 CD2 PHE A 106 8.961 10.583 -19.821 1.00 0.00 C ATOM 455 CE1 PHE A 106 7.708 10.903 -17.336 1.00 0.00 C ATOM 456 CE2 PHE A 106 8.926 11.843 -19.211 1.00 0.00 C ATOM 457 CZ PHE A 106 8.300 12.003 -17.970 1.00 0.00 C ATOM 0 H PHE A 106 6.051 7.500 -18.979 1.00 0.00 H new ATOM 0 HA PHE A 106 7.096 8.744 -21.446 1.00 0.00 H new ATOM 0 HB2 PHE A 106 8.450 7.343 -19.084 1.00 0.00 H new ATOM 0 HB3 PHE A 106 9.302 8.025 -20.455 1.00 0.00 H new ATOM 0 HD1 PHE A 106 7.289 8.795 -17.458 1.00 0.00 H new ATOM 0 HD2 PHE A 106 9.444 10.460 -20.779 1.00 0.00 H new ATOM 0 HE1 PHE A 106 7.225 11.026 -16.378 1.00 0.00 H new ATOM 0 HE2 PHE A 106 9.382 12.692 -19.699 1.00 0.00 H new ATOM 0 HZ PHE A 106 8.273 12.975 -17.501 1.00 0.00 H new ATOM 467 N ASP A 107 7.402 6.669 -22.761 1.00 0.00 N ATOM 468 CA ASP A 107 7.499 5.459 -23.569 1.00 0.00 C ATOM 469 C ASP A 107 8.838 5.415 -24.301 1.00 0.00 C ATOM 470 O ASP A 107 9.244 6.390 -24.933 1.00 0.00 O ATOM 471 CB ASP A 107 6.356 5.416 -24.587 1.00 0.00 C ATOM 472 CG ASP A 107 5.027 5.679 -23.887 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.418 4.724 -23.435 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.639 6.833 -23.810 1.00 0.00 O ATOM 0 H ASP A 107 7.471 7.539 -23.289 1.00 0.00 H new ATOM 0 HA ASP A 107 7.427 4.595 -22.909 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.521 6.162 -25.364 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.332 4.444 -25.079 1.00 0.00 H new ATOM 479 N VAL A 108 9.521 4.275 -24.203 1.00 0.00 N ATOM 480 CA VAL A 108 10.812 4.116 -24.860 1.00 0.00 C ATOM 481 C VAL A 108 10.954 2.713 -25.438 1.00 0.00 C ATOM 482 O VAL A 108 10.387 1.756 -24.914 1.00 0.00 O ATOM 483 CB VAL A 108 11.934 4.373 -23.851 1.00 0.00 C ATOM 484 CG1 VAL A 108 11.701 5.719 -23.156 1.00 0.00 C ATOM 485 CG2 VAL A 108 11.946 3.257 -22.809 1.00 0.00 C ATOM 0 H VAL A 108 9.204 3.458 -23.681 1.00 0.00 H new ATOM 0 HA VAL A 108 10.879 4.835 -25.676 1.00 0.00 H new ATOM 0 HB VAL A 108 12.891 4.395 -24.371 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.501 5.901 -22.438 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.693 6.516 -23.900 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.743 5.699 -22.636 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.745 3.439 -22.090 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.988 3.234 -22.289 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.114 2.300 -23.303 1.00 0.00 H new ATOM 495 N TYR A 109 11.732 2.596 -26.510 1.00 0.00 N ATOM 496 CA TYR A 109 11.960 1.302 -27.142 1.00 0.00 C ATOM 497 C TYR A 109 13.264 1.313 -27.928 1.00 0.00 C ATOM 498 O TYR A 109 13.768 2.376 -28.286 1.00 0.00 O ATOM 499 CB TYR A 109 10.790 0.957 -28.062 1.00 0.00 C ATOM 500 CG TYR A 109 10.641 2.033 -29.110 1.00 0.00 C ATOM 501 CD1 TYR A 109 9.923 3.198 -28.814 1.00 0.00 C ATOM 502 CD2 TYR A 109 11.225 1.871 -30.371 1.00 0.00 C ATOM 503 CE1 TYR A 109 9.786 4.199 -29.781 1.00 0.00 C ATOM 504 CE2 TYR A 109 11.085 2.873 -31.339 1.00 0.00 C ATOM 505 CZ TYR A 109 10.366 4.038 -31.043 1.00 0.00 C ATOM 506 OH TYR A 109 10.228 5.025 -31.998 1.00 0.00 O ATOM 0 H TYR A 109 12.212 3.377 -26.957 1.00 0.00 H new ATOM 0 HA TYR A 109 12.035 0.542 -26.364 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.960 -0.009 -28.538 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.871 0.869 -27.482 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.475 3.324 -27.839 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.783 0.974 -30.597 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.232 5.097 -29.553 1.00 0.00 H new ATOM 0 HE2 TYR A 109 11.532 2.747 -32.314 1.00 0.00 H new ATOM 0 HH TYR A 109 10.692 4.754 -32.818 1.00 0.00 H new ATOM 516 N PHE A 110 13.798 0.126 -28.198 1.00 0.00 N ATOM 517 CA PHE A 110 15.048 0.016 -28.941 1.00 0.00 C ATOM 518 C PHE A 110 14.807 -0.609 -30.307 1.00 0.00 C ATOM 519 O PHE A 110 13.990 -1.519 -30.447 1.00 0.00 O ATOM 520 CB PHE A 110 16.041 -0.847 -28.157 1.00 0.00 C ATOM 521 CG PHE A 110 15.375 -2.140 -27.746 1.00 0.00 C ATOM 522 CD1 PHE A 110 15.389 -3.240 -28.610 1.00 0.00 C ATOM 523 CD2 PHE A 110 14.744 -2.237 -26.500 1.00 0.00 C ATOM 524 CE1 PHE A 110 14.771 -4.437 -28.230 1.00 0.00 C ATOM 525 CE2 PHE A 110 14.125 -3.434 -26.119 1.00 0.00 C ATOM 526 CZ PHE A 110 14.138 -4.534 -26.983 1.00 0.00 C ATOM 0 H PHE A 110 13.389 -0.765 -27.917 1.00 0.00 H new ATOM 0 HA PHE A 110 15.457 1.017 -29.079 1.00 0.00 H new ATOM 0 HB2 PHE A 110 16.918 -1.057 -28.769 1.00 0.00 H new ATOM 0 HB3 PHE A 110 16.389 -0.309 -27.275 1.00 0.00 H new ATOM 0 HD1 PHE A 110 15.877 -3.166 -29.571 1.00 0.00 H new ATOM 0 HD2 PHE A 110 14.735 -1.388 -25.832 1.00 0.00 H new ATOM 0 HE1 PHE A 110 14.782 -5.286 -28.898 1.00 0.00 H new ATOM 0 HE2 PHE A 110 13.638 -3.508 -25.158 1.00 0.00 H new ATOM 0 HZ PHE A 110 13.661 -5.457 -26.690 1.00 0.00 H new ATOM 536 N ILE A 111 15.523 -0.110 -31.312 1.00 0.00 N ATOM 537 CA ILE A 111 15.375 -0.627 -32.665 1.00 0.00 C ATOM 538 C ILE A 111 16.669 -1.288 -33.123 1.00 0.00 C ATOM 539 O ILE A 111 17.704 -0.632 -33.252 1.00 0.00 O ATOM 540 CB ILE A 111 15.021 0.513 -33.623 1.00 0.00 C ATOM 541 CG1 ILE A 111 13.776 1.240 -33.111 1.00 0.00 C ATOM 542 CG2 ILE A 111 14.729 -0.059 -35.014 1.00 0.00 C ATOM 543 CD1 ILE A 111 13.504 2.469 -33.983 1.00 0.00 C ATOM 0 H ILE A 111 16.204 0.643 -31.215 1.00 0.00 H new ATOM 0 HA ILE A 111 14.575 -1.367 -32.668 1.00 0.00 H new ATOM 0 HB ILE A 111 15.858 1.209 -33.680 1.00 0.00 H new ATOM 0 HG12 ILE A 111 12.917 0.570 -33.132 1.00 0.00 H new ATOM 0 HG13 ILE A 111 13.920 1.542 -32.074 1.00 0.00 H new ATOM 0 HG21 ILE A 111 14.477 0.753 -35.696 1.00 0.00 H new ATOM 0 HG22 ILE A 111 15.610 -0.583 -35.384 1.00 0.00 H new ATOM 0 HG23 ILE A 111 13.892 -0.754 -34.953 1.00 0.00 H new ATOM 0 HD11 ILE A 111 12.617 2.986 -33.617 1.00 0.00 H new ATOM 0 HD12 ILE A 111 14.360 3.142 -33.940 1.00 0.00 H new ATOM 0 HD13 ILE A 111 13.341 2.155 -35.014 1.00 0.00 H new ATOM 555 N SER A 112 16.602 -2.591 -33.382 1.00 0.00 N ATOM 556 CA SER A 112 17.772 -3.328 -33.832 1.00 0.00 C ATOM 557 C SER A 112 18.437 -2.614 -35.002 1.00 0.00 C ATOM 558 O SER A 112 17.816 -1.797 -35.681 1.00 0.00 O ATOM 559 CB SER A 112 17.361 -4.740 -34.264 1.00 0.00 C ATOM 560 OG SER A 112 17.701 -5.661 -33.236 1.00 0.00 O ATOM 0 H SER A 112 15.755 -3.152 -33.288 1.00 0.00 H new ATOM 0 HA SER A 112 18.481 -3.389 -33.007 1.00 0.00 H new ATOM 0 HB2 SER A 112 16.289 -4.776 -34.461 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.865 -5.010 -35.192 1.00 0.00 H new ATOM 0 HG SER A 112 18.299 -5.227 -32.593 1.00 0.00 H new ATOM 566 N PRO A 113 19.683 -2.909 -35.245 1.00 0.00 N ATOM 567 CA PRO A 113 20.461 -2.284 -36.357 1.00 0.00 C ATOM 568 C PRO A 113 19.830 -2.553 -37.720 1.00 0.00 C ATOM 569 O PRO A 113 20.062 -1.817 -38.680 1.00 0.00 O ATOM 570 CB PRO A 113 21.843 -2.943 -36.255 1.00 0.00 C ATOM 571 CG PRO A 113 21.632 -4.183 -35.453 1.00 0.00 C ATOM 572 CD PRO A 113 20.501 -3.867 -34.488 1.00 0.00 C ATOM 0 HA PRO A 113 20.497 -1.198 -36.269 1.00 0.00 H new ATOM 0 HB2 PRO A 113 22.241 -3.177 -37.243 1.00 0.00 H new ATOM 0 HB3 PRO A 113 22.560 -2.280 -35.771 1.00 0.00 H new ATOM 0 HG2 PRO A 113 21.374 -5.025 -36.096 1.00 0.00 H new ATOM 0 HG3 PRO A 113 22.539 -4.459 -34.915 1.00 0.00 H new ATOM 0 HD2 PRO A 113 19.935 -4.760 -34.222 1.00 0.00 H new ATOM 0 HD3 PRO A 113 20.872 -3.436 -33.558 1.00 0.00 H new ATOM 580 N GLN A 114 19.028 -3.609 -37.797 1.00 0.00 N ATOM 581 CA GLN A 114 18.369 -3.964 -39.050 1.00 0.00 C ATOM 582 C GLN A 114 17.213 -3.012 -39.329 1.00 0.00 C ATOM 583 O GLN A 114 16.626 -3.031 -40.411 1.00 0.00 O ATOM 584 CB GLN A 114 17.840 -5.400 -38.971 1.00 0.00 C ATOM 585 CG GLN A 114 19.013 -6.374 -38.840 1.00 0.00 C ATOM 586 CD GLN A 114 19.878 -6.323 -40.097 1.00 0.00 C ATOM 587 OE1 GLN A 114 19.361 -6.402 -41.210 1.00 0.00 O ATOM 588 NE2 GLN A 114 21.170 -6.188 -39.984 1.00 0.00 N ATOM 0 H GLN A 114 18.819 -4.230 -37.015 1.00 0.00 H new ATOM 0 HA GLN A 114 19.095 -3.887 -39.859 1.00 0.00 H new ATOM 0 HB2 GLN A 114 17.170 -5.505 -38.117 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.259 -5.633 -39.863 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.612 -6.119 -37.966 1.00 0.00 H new ATOM 0 HG3 GLN A 114 18.640 -7.387 -38.686 1.00 0.00 H new ATOM 0 HE21 GLN A 114 21.597 -6.123 -39.060 1.00 0.00 H new ATOM 0 HE22 GLN A 114 21.754 -6.148 -40.820 1.00 0.00 H new ATOM 597 N GLY A 115 16.896 -2.170 -38.350 1.00 0.00 N ATOM 598 CA GLY A 115 15.811 -1.208 -38.503 1.00 0.00 C ATOM 599 C GLY A 115 14.489 -1.789 -38.018 1.00 0.00 C ATOM 600 O GLY A 115 13.442 -1.150 -38.129 1.00 0.00 O ATOM 0 H GLY A 115 17.372 -2.134 -37.448 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.042 -0.303 -37.941 1.00 0.00 H new ATOM 0 HA3 GLY A 115 15.722 -0.919 -39.550 1.00 0.00 H new ATOM 604 N LEU A 116 14.543 -3.003 -37.482 1.00 0.00 N ATOM 605 CA LEU A 116 13.341 -3.659 -36.987 1.00 0.00 C ATOM 606 C LEU A 116 12.983 -3.139 -35.600 1.00 0.00 C ATOM 607 O LEU A 116 13.794 -3.191 -34.678 1.00 0.00 O ATOM 608 CB LEU A 116 13.563 -5.174 -36.925 1.00 0.00 C ATOM 609 CG LEU A 116 13.285 -5.792 -38.297 1.00 0.00 C ATOM 610 CD1 LEU A 116 11.789 -5.700 -38.613 1.00 0.00 C ATOM 611 CD2 LEU A 116 14.080 -5.034 -39.364 1.00 0.00 C ATOM 0 H LEU A 116 15.399 -3.548 -37.380 1.00 0.00 H new ATOM 0 HA LEU A 116 12.520 -3.439 -37.669 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.587 -5.389 -36.619 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.907 -5.617 -36.176 1.00 0.00 H new ATOM 0 HG LEU A 116 13.586 -6.840 -38.290 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.596 -6.141 -39.591 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.223 -6.239 -37.853 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.482 -4.654 -38.620 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.884 -5.472 -40.343 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.777 -3.987 -39.368 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.145 -5.103 -39.142 1.00 0.00 H new ATOM 623 N LYS A 117 11.762 -2.636 -35.465 1.00 0.00 N ATOM 624 CA LYS A 117 11.303 -2.103 -34.187 1.00 0.00 C ATOM 625 C LYS A 117 10.882 -3.230 -33.250 1.00 0.00 C ATOM 626 O LYS A 117 10.223 -4.181 -33.666 1.00 0.00 O ATOM 627 CB LYS A 117 10.123 -1.153 -34.407 1.00 0.00 C ATOM 628 CG LYS A 117 9.673 -0.572 -33.064 1.00 0.00 C ATOM 629 CD LYS A 117 8.525 0.410 -33.290 1.00 0.00 C ATOM 630 CE LYS A 117 8.054 0.965 -31.945 1.00 0.00 C ATOM 631 NZ LYS A 117 6.939 1.929 -32.168 1.00 0.00 N ATOM 0 H LYS A 117 11.076 -2.586 -36.218 1.00 0.00 H new ATOM 0 HA LYS A 117 12.129 -1.557 -33.730 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.412 -0.349 -35.084 1.00 0.00 H new ATOM 0 HB3 LYS A 117 9.297 -1.686 -34.879 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.354 -1.374 -32.398 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.507 -0.066 -32.577 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.851 1.224 -33.937 1.00 0.00 H new ATOM 0 HD3 LYS A 117 7.700 -0.090 -33.798 1.00 0.00 H new ATOM 0 HE2 LYS A 117 7.722 0.151 -31.300 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.880 1.460 -31.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.618 2.307 -31.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 7.271 2.711 -32.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.149 1.443 -32.638 1.00 0.00 H new ATOM 645 N PHE A 118 11.268 -3.112 -31.983 1.00 0.00 N ATOM 646 CA PHE A 118 10.915 -4.118 -30.989 1.00 0.00 C ATOM 647 C PHE A 118 10.538 -3.461 -29.666 1.00 0.00 C ATOM 648 O PHE A 118 11.174 -2.497 -29.239 1.00 0.00 O ATOM 649 CB PHE A 118 12.084 -5.080 -30.774 1.00 0.00 C ATOM 650 CG PHE A 118 12.305 -5.894 -32.026 1.00 0.00 C ATOM 651 CD1 PHE A 118 11.333 -6.815 -32.439 1.00 0.00 C ATOM 652 CD2 PHE A 118 13.476 -5.730 -32.775 1.00 0.00 C ATOM 653 CE1 PHE A 118 11.534 -7.573 -33.597 1.00 0.00 C ATOM 654 CE2 PHE A 118 13.677 -6.490 -33.931 1.00 0.00 C ATOM 655 CZ PHE A 118 12.705 -7.411 -34.345 1.00 0.00 C ATOM 0 H PHE A 118 11.822 -2.335 -31.623 1.00 0.00 H new ATOM 0 HA PHE A 118 10.055 -4.676 -31.359 1.00 0.00 H new ATOM 0 HB2 PHE A 118 12.987 -4.522 -30.527 1.00 0.00 H new ATOM 0 HB3 PHE A 118 11.876 -5.739 -29.931 1.00 0.00 H new ATOM 0 HD1 PHE A 118 10.428 -6.940 -31.863 1.00 0.00 H new ATOM 0 HD2 PHE A 118 14.224 -5.017 -32.460 1.00 0.00 H new ATOM 0 HE1 PHE A 118 10.785 -8.284 -33.914 1.00 0.00 H new ATOM 0 HE2 PHE A 118 14.583 -6.367 -34.506 1.00 0.00 H new ATOM 0 HZ PHE A 118 12.860 -7.995 -35.240 1.00 0.00 H new ATOM 665 N ARG A 119 9.505 -3.990 -29.018 1.00 0.00 N ATOM 666 CA ARG A 119 9.058 -3.448 -27.740 1.00 0.00 C ATOM 667 C ARG A 119 8.600 -4.569 -26.812 1.00 0.00 C ATOM 668 O ARG A 119 7.924 -4.322 -25.812 1.00 0.00 O ATOM 669 CB ARG A 119 7.909 -2.465 -27.964 1.00 0.00 C ATOM 670 CG ARG A 119 7.139 -2.857 -29.228 1.00 0.00 C ATOM 671 CD ARG A 119 5.809 -2.107 -29.269 1.00 0.00 C ATOM 672 NE ARG A 119 4.703 -3.030 -29.029 1.00 0.00 N ATOM 673 CZ ARG A 119 3.616 -2.649 -28.363 1.00 0.00 C ATOM 674 NH1 ARG A 119 3.515 -1.425 -27.920 1.00 0.00 N ATOM 675 NH2 ARG A 119 2.639 -3.491 -28.173 1.00 0.00 N ATOM 0 H ARG A 119 8.965 -4.788 -29.354 1.00 0.00 H new ATOM 0 HA ARG A 119 9.895 -2.928 -27.274 1.00 0.00 H new ATOM 0 HB2 ARG A 119 7.241 -2.468 -27.103 1.00 0.00 H new ATOM 0 HB3 ARG A 119 8.298 -1.451 -28.062 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.729 -2.621 -30.114 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.962 -3.933 -29.240 1.00 0.00 H new ATOM 0 HD2 ARG A 119 5.804 -1.318 -28.516 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.685 -1.624 -30.238 1.00 0.00 H new ATOM 0 HE ARG A 119 4.765 -3.986 -29.379 1.00 0.00 H new ATOM 0 HH11 ARG A 119 4.270 -0.759 -28.084 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.681 -1.135 -27.410 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.708 -4.442 -28.535 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.806 -3.199 -27.662 1.00 0.00 H new ATOM 689 N SER A 120 8.973 -5.799 -27.149 1.00 0.00 N ATOM 690 CA SER A 120 8.597 -6.949 -26.333 1.00 0.00 C ATOM 691 C SER A 120 9.782 -7.892 -26.157 1.00 0.00 C ATOM 692 O SER A 120 10.568 -8.097 -27.082 1.00 0.00 O ATOM 693 CB SER A 120 7.440 -7.698 -26.993 1.00 0.00 C ATOM 694 OG SER A 120 6.317 -6.831 -27.091 1.00 0.00 O ATOM 0 H SER A 120 9.530 -6.025 -27.973 1.00 0.00 H new ATOM 0 HA SER A 120 8.286 -6.590 -25.352 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.734 -8.045 -27.983 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.183 -8.581 -26.409 1.00 0.00 H new ATOM 0 HG SER A 120 5.573 -7.307 -27.515 1.00 0.00 H new ATOM 700 N LYS A 121 9.904 -8.465 -24.964 1.00 0.00 N ATOM 701 CA LYS A 121 10.992 -9.389 -24.684 1.00 0.00 C ATOM 702 C LYS A 121 10.887 -10.626 -25.572 1.00 0.00 C ATOM 703 O LYS A 121 11.888 -11.095 -26.120 1.00 0.00 O ATOM 704 CB LYS A 121 10.957 -9.809 -23.211 1.00 0.00 C ATOM 705 CG LYS A 121 12.141 -10.731 -22.908 1.00 0.00 C ATOM 706 CD LYS A 121 12.122 -11.119 -21.430 1.00 0.00 C ATOM 707 CE LYS A 121 13.327 -12.011 -21.122 1.00 0.00 C ATOM 708 NZ LYS A 121 13.248 -13.252 -21.944 1.00 0.00 N ATOM 0 H LYS A 121 9.268 -8.306 -24.183 1.00 0.00 H new ATOM 0 HA LYS A 121 11.935 -8.884 -24.894 1.00 0.00 H new ATOM 0 HB2 LYS A 121 10.997 -8.928 -22.571 1.00 0.00 H new ATOM 0 HB3 LYS A 121 10.020 -10.321 -22.991 1.00 0.00 H new ATOM 0 HG2 LYS A 121 12.088 -11.625 -23.530 1.00 0.00 H new ATOM 0 HG3 LYS A 121 13.078 -10.229 -23.151 1.00 0.00 H new ATOM 0 HD2 LYS A 121 12.149 -10.225 -20.808 1.00 0.00 H new ATOM 0 HD3 LYS A 121 11.197 -11.644 -21.193 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.253 -11.477 -21.337 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.344 -12.264 -20.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 13.868 -13.980 -21.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.268 -13.599 -21.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.553 -13.044 -22.916 1.00 0.00 H new ATOM 722 N SER A 122 9.672 -11.163 -25.695 1.00 0.00 N ATOM 723 CA SER A 122 9.466 -12.364 -26.498 1.00 0.00 C ATOM 724 C SER A 122 9.892 -12.117 -27.940 1.00 0.00 C ATOM 725 O SER A 122 10.701 -12.862 -28.492 1.00 0.00 O ATOM 726 CB SER A 122 7.985 -12.749 -26.467 1.00 0.00 C ATOM 727 OG SER A 122 7.615 -13.093 -25.139 1.00 0.00 O ATOM 0 H SER A 122 8.830 -10.791 -25.256 1.00 0.00 H new ATOM 0 HA SER A 122 10.069 -13.172 -26.084 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.375 -11.919 -26.823 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.802 -13.589 -27.137 1.00 0.00 H new ATOM 0 HG SER A 122 6.666 -13.338 -25.117 1.00 0.00 H new ATOM 733 N SER A 123 9.365 -11.054 -28.537 1.00 0.00 N ATOM 734 CA SER A 123 9.703 -10.725 -29.918 1.00 0.00 C ATOM 735 C SER A 123 11.214 -10.623 -30.073 1.00 0.00 C ATOM 736 O SER A 123 11.780 -11.108 -31.053 1.00 0.00 O ATOM 737 CB SER A 123 9.064 -9.388 -30.300 1.00 0.00 C ATOM 738 OG SER A 123 9.406 -9.071 -31.644 1.00 0.00 O ATOM 0 H SER A 123 8.709 -10.411 -28.093 1.00 0.00 H new ATOM 0 HA SER A 123 9.326 -11.511 -30.572 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.981 -9.445 -30.192 1.00 0.00 H new ATOM 0 HB3 SER A 123 9.410 -8.602 -29.629 1.00 0.00 H new ATOM 0 HG SER A 123 10.272 -8.613 -31.662 1.00 0.00 H new ATOM 744 N LEU A 124 11.866 -10.004 -29.095 1.00 0.00 N ATOM 745 CA LEU A 124 13.315 -9.859 -29.137 1.00 0.00 C ATOM 746 C LEU A 124 13.988 -11.229 -29.159 1.00 0.00 C ATOM 747 O LEU A 124 14.914 -11.462 -29.934 1.00 0.00 O ATOM 748 CB LEU A 124 13.796 -9.068 -27.916 1.00 0.00 C ATOM 749 CG LEU A 124 15.322 -8.932 -27.953 1.00 0.00 C ATOM 750 CD1 LEU A 124 15.737 -8.187 -29.226 1.00 0.00 C ATOM 751 CD2 LEU A 124 15.792 -8.149 -26.729 1.00 0.00 C ATOM 0 H LEU A 124 11.420 -9.599 -28.272 1.00 0.00 H new ATOM 0 HA LEU A 124 13.584 -9.320 -30.046 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.334 -8.081 -27.906 1.00 0.00 H new ATOM 0 HB3 LEU A 124 13.489 -9.573 -27.000 1.00 0.00 H new ATOM 0 HG LEU A 124 15.776 -9.923 -27.947 1.00 0.00 H new ATOM 0 HD11 LEU A 124 16.822 -8.090 -29.253 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.401 -8.745 -30.100 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.284 -7.196 -29.232 1.00 0.00 H new ATOM 0 HD21 LEU A 124 16.877 -8.052 -26.754 1.00 0.00 H new ATOM 0 HD22 LEU A 124 15.338 -7.158 -26.735 1.00 0.00 H new ATOM 0 HD23 LEU A 124 15.496 -8.678 -25.823 1.00 0.00 H new ATOM 763 N ALA A 125 13.524 -12.126 -28.300 1.00 0.00 N ATOM 764 CA ALA A 125 14.088 -13.470 -28.229 1.00 0.00 C ATOM 765 C ALA A 125 13.894 -14.194 -29.557 1.00 0.00 C ATOM 766 O ALA A 125 14.672 -15.082 -29.911 1.00 0.00 O ATOM 767 CB ALA A 125 13.424 -14.260 -27.104 1.00 0.00 C ATOM 0 H ALA A 125 12.762 -11.950 -27.645 1.00 0.00 H new ATOM 0 HA ALA A 125 15.155 -13.390 -28.024 1.00 0.00 H new ATOM 0 HB1 ALA A 125 13.853 -15.261 -27.060 1.00 0.00 H new ATOM 0 HB2 ALA A 125 13.592 -13.752 -26.154 1.00 0.00 H new ATOM 0 HB3 ALA A 125 12.353 -14.332 -27.293 1.00 0.00 H new ATOM 773 N ASN A 126 12.849 -13.811 -30.288 1.00 0.00 N ATOM 774 CA ASN A 126 12.566 -14.425 -31.582 1.00 0.00 C ATOM 775 C ASN A 126 13.427 -13.795 -32.673 1.00 0.00 C ATOM 776 O ASN A 126 14.021 -14.493 -33.488 1.00 0.00 O ATOM 777 CB ASN A 126 11.087 -14.256 -31.928 1.00 0.00 C ATOM 778 CG ASN A 126 10.707 -15.205 -33.058 1.00 0.00 C ATOM 779 OD1 ASN A 126 11.205 -16.330 -33.121 1.00 0.00 O ATOM 780 ND2 ASN A 126 9.851 -14.817 -33.961 1.00 0.00 N ATOM 0 H ASN A 126 12.190 -13.085 -30.009 1.00 0.00 H new ATOM 0 HA ASN A 126 12.802 -15.487 -31.520 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.474 -14.458 -31.050 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.889 -13.226 -32.225 1.00 0.00 H new ATOM 0 HD21 ASN A 126 9.592 -15.445 -34.722 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.440 -13.885 -33.907 1.00 0.00 H new ATOM 787 N TYR A 127 13.489 -12.468 -32.674 1.00 0.00 N ATOM 788 CA TYR A 127 14.285 -11.753 -33.664 1.00 0.00 C ATOM 789 C TYR A 127 15.731 -12.229 -33.628 1.00 0.00 C ATOM 790 O TYR A 127 16.331 -12.498 -34.670 1.00 0.00 O ATOM 791 CB TYR A 127 14.234 -10.250 -33.387 1.00 0.00 C ATOM 792 CG TYR A 127 15.389 -9.567 -34.083 1.00 0.00 C ATOM 793 CD1 TYR A 127 15.386 -9.422 -35.474 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.465 -9.082 -33.331 1.00 0.00 C ATOM 795 CE1 TYR A 127 16.461 -8.793 -36.113 1.00 0.00 C ATOM 796 CE2 TYR A 127 17.538 -8.452 -33.966 1.00 0.00 C ATOM 797 CZ TYR A 127 17.539 -8.307 -35.361 1.00 0.00 C ATOM 798 OH TYR A 127 18.597 -7.687 -35.992 1.00 0.00 O ATOM 0 H TYR A 127 13.002 -11.870 -32.006 1.00 0.00 H new ATOM 0 HA TYR A 127 13.871 -11.954 -34.652 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.289 -9.837 -33.739 1.00 0.00 H new ATOM 0 HB3 TYR A 127 14.283 -10.066 -32.314 1.00 0.00 H new ATOM 0 HD1 TYR A 127 14.555 -9.795 -36.055 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.466 -9.195 -32.257 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.460 -8.682 -37.187 1.00 0.00 H new ATOM 0 HE2 TYR A 127 18.366 -8.077 -33.383 1.00 0.00 H new ATOM 0 HH TYR A 127 19.259 -7.409 -35.325 1.00 0.00 H new ATOM 808 N LEU A 128 16.287 -12.328 -32.425 1.00 0.00 N ATOM 809 CA LEU A 128 17.673 -12.767 -32.276 1.00 0.00 C ATOM 810 C LEU A 128 17.848 -14.182 -32.819 1.00 0.00 C ATOM 811 O LEU A 128 18.782 -14.455 -33.569 1.00 0.00 O ATOM 812 CB LEU A 128 18.061 -12.743 -30.793 1.00 0.00 C ATOM 813 CG LEU A 128 18.060 -11.299 -30.289 1.00 0.00 C ATOM 814 CD1 LEU A 128 18.303 -11.284 -28.779 1.00 0.00 C ATOM 815 CD2 LEU A 128 19.163 -10.503 -30.991 1.00 0.00 C ATOM 0 H LEU A 128 15.809 -12.114 -31.550 1.00 0.00 H new ATOM 0 HA LEU A 128 18.315 -12.090 -32.840 1.00 0.00 H new ATOM 0 HB2 LEU A 128 17.359 -13.342 -30.213 1.00 0.00 H new ATOM 0 HB3 LEU A 128 19.047 -13.186 -30.657 1.00 0.00 H new ATOM 0 HG LEU A 128 17.094 -10.844 -30.508 1.00 0.00 H new ATOM 0 HD11 LEU A 128 18.302 -10.255 -28.421 1.00 0.00 H new ATOM 0 HD12 LEU A 128 17.513 -11.843 -28.278 1.00 0.00 H new ATOM 0 HD13 LEU A 128 19.267 -11.743 -28.561 1.00 0.00 H new ATOM 0 HD21 LEU A 128 19.157 -9.475 -30.628 1.00 0.00 H new ATOM 0 HD22 LEU A 128 20.131 -10.957 -30.779 1.00 0.00 H new ATOM 0 HD23 LEU A 128 18.987 -10.509 -32.067 1.00 0.00 H new ATOM 827 N HIS A 129 16.935 -15.069 -32.450 1.00 0.00 N ATOM 828 CA HIS A 129 16.986 -16.450 -32.916 1.00 0.00 C ATOM 829 C HIS A 129 16.838 -16.504 -34.435 1.00 0.00 C ATOM 830 O HIS A 129 17.444 -17.346 -35.098 1.00 0.00 O ATOM 831 CB HIS A 129 15.878 -17.273 -32.259 1.00 0.00 C ATOM 832 CG HIS A 129 15.968 -18.700 -32.725 1.00 0.00 C ATOM 833 ND1 HIS A 129 16.960 -19.562 -32.280 1.00 0.00 N ATOM 834 CD2 HIS A 129 15.199 -19.432 -33.595 1.00 0.00 C ATOM 835 CE1 HIS A 129 16.762 -20.751 -32.880 1.00 0.00 C ATOM 836 NE2 HIS A 129 15.702 -20.726 -33.692 1.00 0.00 N ATOM 0 H HIS A 129 16.152 -14.859 -31.831 1.00 0.00 H new ATOM 0 HA HIS A 129 17.953 -16.871 -32.639 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.971 -17.227 -31.174 1.00 0.00 H new ATOM 0 HB3 HIS A 129 14.903 -16.857 -32.513 1.00 0.00 H new ATOM 0 HD2 HIS A 129 14.334 -19.060 -34.124 1.00 0.00 H new ATOM 0 HE1 HIS A 129 17.385 -21.619 -32.724 1.00 0.00 H new ATOM 0 HE2 HIS A 129 15.339 -21.491 -34.261 1.00 0.00 H new ATOM 845 N LYS A 130 16.014 -15.609 -34.975 1.00 0.00 N ATOM 846 CA LYS A 130 15.788 -15.566 -36.413 1.00 0.00 C ATOM 847 C LYS A 130 17.026 -15.053 -37.145 1.00 0.00 C ATOM 848 O LYS A 130 17.419 -15.595 -38.177 1.00 0.00 O ATOM 849 CB LYS A 130 14.593 -14.664 -36.723 1.00 0.00 C ATOM 850 CG LYS A 130 14.208 -14.811 -38.198 1.00 0.00 C ATOM 851 CD LYS A 130 13.188 -13.736 -38.570 1.00 0.00 C ATOM 852 CE LYS A 130 11.949 -13.875 -37.682 1.00 0.00 C ATOM 853 NZ LYS A 130 12.122 -13.045 -36.457 1.00 0.00 N ATOM 0 H LYS A 130 15.497 -14.910 -34.442 1.00 0.00 H new ATOM 0 HA LYS A 130 15.580 -16.579 -36.758 1.00 0.00 H new ATOM 0 HB2 LYS A 130 13.748 -14.931 -36.088 1.00 0.00 H new ATOM 0 HB3 LYS A 130 14.841 -13.626 -36.503 1.00 0.00 H new ATOM 0 HG2 LYS A 130 15.094 -14.719 -38.827 1.00 0.00 H new ATOM 0 HG3 LYS A 130 13.790 -15.801 -38.378 1.00 0.00 H new ATOM 0 HD2 LYS A 130 13.627 -12.746 -38.447 1.00 0.00 H new ATOM 0 HD3 LYS A 130 12.909 -13.833 -39.619 1.00 0.00 H new ATOM 0 HE2 LYS A 130 11.060 -13.558 -38.227 1.00 0.00 H new ATOM 0 HE3 LYS A 130 11.799 -14.920 -37.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 12.182 -13.664 -35.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 12.996 -12.486 -36.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 11.310 -12.404 -36.354 1.00 0.00 H new ATOM 867 N ASN A 131 17.629 -13.999 -36.604 1.00 0.00 N ATOM 868 CA ASN A 131 18.814 -13.412 -37.218 1.00 0.00 C ATOM 869 C ASN A 131 19.994 -14.374 -37.118 1.00 0.00 C ATOM 870 O ASN A 131 20.986 -14.232 -37.832 1.00 0.00 O ATOM 871 CB ASN A 131 19.165 -12.094 -36.524 1.00 0.00 C ATOM 872 CG ASN A 131 20.188 -11.325 -37.354 1.00 0.00 C ATOM 873 OD1 ASN A 131 21.355 -11.712 -37.417 1.00 0.00 O ATOM 874 ND2 ASN A 131 19.816 -10.255 -38.001 1.00 0.00 N ATOM 0 H ASN A 131 17.320 -13.537 -35.749 1.00 0.00 H new ATOM 0 HA ASN A 131 18.601 -13.220 -38.270 1.00 0.00 H new ATOM 0 HB2 ASN A 131 18.266 -11.492 -36.391 1.00 0.00 H new ATOM 0 HB3 ASN A 131 19.566 -12.292 -35.530 1.00 0.00 H new ATOM 0 HD21 ASN A 131 20.493 -9.737 -38.561 1.00 0.00 H new ATOM 0 HD22 ASN A 131 18.848 -9.937 -37.947 1.00 0.00 H new ATOM 881 N GLY A 132 19.878 -15.350 -36.224 1.00 0.00 N ATOM 882 CA GLY A 132 20.942 -16.331 -36.035 1.00 0.00 C ATOM 883 C GLY A 132 21.916 -15.873 -34.952 1.00 0.00 C ATOM 884 O GLY A 132 22.786 -16.631 -34.527 1.00 0.00 O ATOM 0 H GLY A 132 19.065 -15.483 -35.623 1.00 0.00 H new ATOM 0 HA2 GLY A 132 20.511 -17.293 -35.759 1.00 0.00 H new ATOM 0 HA3 GLY A 132 21.477 -16.479 -36.973 1.00 0.00 H new ATOM 888 N GLU A 133 21.756 -14.630 -34.506 1.00 0.00 N ATOM 889 CA GLU A 133 22.625 -14.087 -33.467 1.00 0.00 C ATOM 890 C GLU A 133 22.038 -14.360 -32.087 1.00 0.00 C ATOM 891 O GLU A 133 21.166 -13.630 -31.616 1.00 0.00 O ATOM 892 CB GLU A 133 22.790 -12.578 -33.667 1.00 0.00 C ATOM 893 CG GLU A 133 23.808 -12.314 -34.778 1.00 0.00 C ATOM 894 CD GLU A 133 25.205 -12.709 -34.312 1.00 0.00 C ATOM 895 OE1 GLU A 133 25.622 -12.219 -33.276 1.00 0.00 O ATOM 896 OE2 GLU A 133 25.835 -13.500 -34.995 1.00 0.00 O ATOM 0 H GLU A 133 21.041 -13.986 -34.844 1.00 0.00 H new ATOM 0 HA GLU A 133 23.599 -14.572 -33.537 1.00 0.00 H new ATOM 0 HB2 GLU A 133 21.831 -12.128 -33.925 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.121 -12.112 -32.739 1.00 0.00 H new ATOM 0 HG2 GLU A 133 23.540 -12.880 -35.670 1.00 0.00 H new ATOM 0 HG3 GLU A 133 23.792 -11.259 -35.053 1.00 0.00 H new ATOM 903 N THR A 134 22.525 -15.418 -31.442 1.00 0.00 N ATOM 904 CA THR A 134 22.041 -15.781 -30.117 1.00 0.00 C ATOM 905 C THR A 134 23.049 -15.374 -29.046 1.00 0.00 C ATOM 906 O THR A 134 22.828 -15.595 -27.856 1.00 0.00 O ATOM 907 CB THR A 134 21.796 -17.289 -30.043 1.00 0.00 C ATOM 908 OG1 THR A 134 23.026 -17.976 -30.239 1.00 0.00 O ATOM 909 CG2 THR A 134 20.806 -17.701 -31.134 1.00 0.00 C ATOM 0 H THR A 134 23.249 -16.033 -31.814 1.00 0.00 H new ATOM 0 HA THR A 134 21.105 -15.253 -29.938 1.00 0.00 H new ATOM 0 HB THR A 134 21.386 -17.543 -29.066 1.00 0.00 H new ATOM 0 HG1 THR A 134 22.872 -18.943 -30.190 1.00 0.00 H new ATOM 0 HG21 THR A 134 20.632 -18.776 -31.080 1.00 0.00 H new ATOM 0 HG22 THR A 134 19.864 -17.173 -30.988 1.00 0.00 H new ATOM 0 HG23 THR A 134 21.216 -17.448 -32.112 1.00 0.00 H new ATOM 917 N SER A 135 24.155 -14.778 -29.479 1.00 0.00 N ATOM 918 CA SER A 135 25.191 -14.341 -28.551 1.00 0.00 C ATOM 919 C SER A 135 24.635 -13.308 -27.578 1.00 0.00 C ATOM 920 O SER A 135 24.905 -13.361 -26.377 1.00 0.00 O ATOM 921 CB SER A 135 26.365 -13.742 -29.322 1.00 0.00 C ATOM 922 OG SER A 135 27.351 -13.292 -28.400 1.00 0.00 O ATOM 0 H SER A 135 24.356 -14.587 -30.461 1.00 0.00 H new ATOM 0 HA SER A 135 25.536 -15.207 -27.986 1.00 0.00 H new ATOM 0 HB2 SER A 135 26.792 -14.487 -29.994 1.00 0.00 H new ATOM 0 HB3 SER A 135 26.023 -12.912 -29.941 1.00 0.00 H new ATOM 0 HG SER A 135 28.107 -12.908 -28.891 1.00 0.00 H new ATOM 928 N LEU A 136 23.853 -12.369 -28.101 1.00 0.00 N ATOM 929 CA LEU A 136 23.260 -11.331 -27.269 1.00 0.00 C ATOM 930 C LEU A 136 22.028 -11.862 -26.549 1.00 0.00 C ATOM 931 O LEU A 136 21.305 -12.702 -27.083 1.00 0.00 O ATOM 932 CB LEU A 136 22.866 -10.129 -28.133 1.00 0.00 C ATOM 933 CG LEU A 136 24.108 -9.283 -28.429 1.00 0.00 C ATOM 934 CD1 LEU A 136 24.597 -8.611 -27.142 1.00 0.00 C ATOM 935 CD2 LEU A 136 25.215 -10.187 -28.983 1.00 0.00 C ATOM 0 H LEU A 136 23.617 -12.306 -29.091 1.00 0.00 H new ATOM 0 HA LEU A 136 23.997 -11.021 -26.528 1.00 0.00 H new ATOM 0 HB2 LEU A 136 22.415 -10.470 -29.065 1.00 0.00 H new ATOM 0 HB3 LEU A 136 22.117 -9.527 -27.618 1.00 0.00 H new ATOM 0 HG LEU A 136 23.857 -8.516 -29.162 1.00 0.00 H new ATOM 0 HD11 LEU A 136 25.481 -8.011 -27.358 1.00 0.00 H new ATOM 0 HD12 LEU A 136 23.810 -7.969 -26.745 1.00 0.00 H new ATOM 0 HD13 LEU A 136 24.848 -9.374 -26.406 1.00 0.00 H new ATOM 0 HD21 LEU A 136 26.101 -9.589 -29.195 1.00 0.00 H new ATOM 0 HD22 LEU A 136 25.462 -10.953 -28.247 1.00 0.00 H new ATOM 0 HD23 LEU A 136 24.870 -10.663 -29.901 1.00 0.00 H new ATOM 947 N LYS A 137 21.802 -11.368 -25.332 1.00 0.00 N ATOM 948 CA LYS A 137 20.659 -11.803 -24.547 1.00 0.00 C ATOM 949 C LYS A 137 19.762 -10.620 -24.202 1.00 0.00 C ATOM 950 O LYS A 137 20.111 -9.466 -24.454 1.00 0.00 O ATOM 951 CB LYS A 137 21.130 -12.482 -23.259 1.00 0.00 C ATOM 952 CG LYS A 137 22.647 -12.665 -23.307 1.00 0.00 C ATOM 953 CD LYS A 137 23.116 -13.382 -22.040 1.00 0.00 C ATOM 954 CE LYS A 137 24.619 -13.651 -22.133 1.00 0.00 C ATOM 955 NZ LYS A 137 25.354 -12.355 -22.180 1.00 0.00 N ATOM 0 H LYS A 137 22.392 -10.673 -24.876 1.00 0.00 H new ATOM 0 HA LYS A 137 20.088 -12.516 -25.142 1.00 0.00 H new ATOM 0 HB2 LYS A 137 20.853 -11.879 -22.394 1.00 0.00 H new ATOM 0 HB3 LYS A 137 20.639 -13.449 -23.144 1.00 0.00 H new ATOM 0 HG2 LYS A 137 22.926 -13.242 -24.188 1.00 0.00 H new ATOM 0 HG3 LYS A 137 23.138 -11.696 -23.392 1.00 0.00 H new ATOM 0 HD2 LYS A 137 22.898 -12.773 -21.163 1.00 0.00 H new ATOM 0 HD3 LYS A 137 22.575 -14.320 -21.919 1.00 0.00 H new ATOM 0 HE2 LYS A 137 24.948 -14.237 -21.275 1.00 0.00 H new ATOM 0 HE3 LYS A 137 24.840 -14.239 -23.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 26.360 -12.518 -21.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 25.260 -11.937 -23.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 24.955 -11.704 -21.474 1.00 0.00 H new ATOM 969 N PRO A 138 18.621 -10.884 -23.629 1.00 0.00 N ATOM 970 CA PRO A 138 17.647 -9.823 -23.237 1.00 0.00 C ATOM 971 C PRO A 138 18.266 -8.788 -22.299 1.00 0.00 C ATOM 972 O PRO A 138 17.848 -7.631 -22.269 1.00 0.00 O ATOM 973 CB PRO A 138 16.530 -10.595 -22.525 1.00 0.00 C ATOM 974 CG PRO A 138 16.645 -11.997 -23.019 1.00 0.00 C ATOM 975 CD PRO A 138 18.124 -12.227 -23.287 1.00 0.00 C ATOM 0 HA PRO A 138 17.299 -9.255 -24.100 1.00 0.00 H new ATOM 0 HB2 PRO A 138 16.648 -10.548 -21.442 1.00 0.00 H new ATOM 0 HB3 PRO A 138 15.551 -10.175 -22.757 1.00 0.00 H new ATOM 0 HG2 PRO A 138 16.268 -12.703 -22.279 1.00 0.00 H new ATOM 0 HG3 PRO A 138 16.057 -12.141 -23.926 1.00 0.00 H new ATOM 0 HD2 PRO A 138 18.633 -12.633 -22.413 1.00 0.00 H new ATOM 0 HD3 PRO A 138 18.280 -12.933 -24.103 1.00 0.00 H new ATOM 983 N GLU A 139 19.262 -9.214 -21.530 1.00 0.00 N ATOM 984 CA GLU A 139 19.931 -8.322 -20.591 1.00 0.00 C ATOM 985 C GLU A 139 20.707 -7.241 -21.335 1.00 0.00 C ATOM 986 O GLU A 139 21.247 -6.320 -20.723 1.00 0.00 O ATOM 987 CB GLU A 139 20.886 -9.118 -19.700 1.00 0.00 C ATOM 988 CG GLU A 139 20.078 -10.025 -18.767 1.00 0.00 C ATOM 989 CD GLU A 139 21.020 -10.894 -17.940 1.00 0.00 C ATOM 990 OE1 GLU A 139 22.203 -10.906 -18.243 1.00 0.00 O ATOM 991 OE2 GLU A 139 20.546 -11.533 -17.016 1.00 0.00 O ATOM 0 H GLU A 139 19.623 -10.168 -21.538 1.00 0.00 H new ATOM 0 HA GLU A 139 19.171 -7.845 -19.972 1.00 0.00 H new ATOM 0 HB2 GLU A 139 21.559 -9.717 -20.314 1.00 0.00 H new ATOM 0 HB3 GLU A 139 21.507 -8.439 -19.116 1.00 0.00 H new ATOM 0 HG2 GLU A 139 19.455 -9.420 -18.108 1.00 0.00 H new ATOM 0 HG3 GLU A 139 19.407 -10.655 -19.350 1.00 0.00 H new ATOM 998 N ASP A 140 20.762 -7.364 -22.657 1.00 0.00 N ATOM 999 CA ASP A 140 21.477 -6.393 -23.474 1.00 0.00 C ATOM 1000 C ASP A 140 20.772 -5.040 -23.451 1.00 0.00 C ATOM 1001 O ASP A 140 21.417 -3.993 -23.526 1.00 0.00 O ATOM 1002 CB ASP A 140 21.574 -6.894 -24.916 1.00 0.00 C ATOM 1003 CG ASP A 140 22.536 -6.017 -25.710 1.00 0.00 C ATOM 1004 OD1 ASP A 140 23.715 -6.330 -25.726 1.00 0.00 O ATOM 1005 OD2 ASP A 140 22.079 -5.047 -26.291 1.00 0.00 O ATOM 0 H ASP A 140 20.323 -8.121 -23.182 1.00 0.00 H new ATOM 0 HA ASP A 140 22.478 -6.272 -23.061 1.00 0.00 H new ATOM 0 HB2 ASP A 140 21.918 -7.928 -24.928 1.00 0.00 H new ATOM 0 HB3 ASP A 140 20.588 -6.880 -25.381 1.00 0.00 H new ATOM 1010 N PHE A 141 19.445 -5.070 -23.347 1.00 0.00 N ATOM 1011 CA PHE A 141 18.663 -3.840 -23.320 1.00 0.00 C ATOM 1012 C PHE A 141 18.049 -3.632 -21.940 1.00 0.00 C ATOM 1013 O PHE A 141 17.375 -4.517 -21.413 1.00 0.00 O ATOM 1014 CB PHE A 141 17.552 -3.904 -24.369 1.00 0.00 C ATOM 1015 CG PHE A 141 16.419 -4.756 -23.855 1.00 0.00 C ATOM 1016 CD1 PHE A 141 16.462 -6.147 -24.003 1.00 0.00 C ATOM 1017 CD2 PHE A 141 15.322 -4.153 -23.225 1.00 0.00 C ATOM 1018 CE1 PHE A 141 15.408 -6.933 -23.523 1.00 0.00 C ATOM 1019 CE2 PHE A 141 14.270 -4.942 -22.747 1.00 0.00 C ATOM 1020 CZ PHE A 141 14.313 -6.331 -22.895 1.00 0.00 C ATOM 0 H PHE A 141 18.894 -5.926 -23.281 1.00 0.00 H new ATOM 0 HA PHE A 141 19.325 -3.003 -23.544 1.00 0.00 H new ATOM 0 HB2 PHE A 141 17.192 -2.900 -24.594 1.00 0.00 H new ATOM 0 HB3 PHE A 141 17.940 -4.319 -25.299 1.00 0.00 H new ATOM 0 HD1 PHE A 141 17.307 -6.613 -24.487 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.289 -3.080 -23.109 1.00 0.00 H new ATOM 0 HE1 PHE A 141 15.440 -8.006 -23.638 1.00 0.00 H new ATOM 0 HE2 PHE A 141 13.424 -4.477 -22.263 1.00 0.00 H new ATOM 0 HZ PHE A 141 13.501 -6.939 -22.525 1.00 0.00 H new ATOM 1030 N ASP A 142 18.287 -2.458 -21.362 1.00 0.00 N ATOM 1031 CA ASP A 142 17.752 -2.139 -20.044 1.00 0.00 C ATOM 1032 C ASP A 142 16.726 -1.016 -20.137 1.00 0.00 C ATOM 1033 O ASP A 142 16.956 -0.006 -20.803 1.00 0.00 O ATOM 1034 CB ASP A 142 18.888 -1.726 -19.107 1.00 0.00 C ATOM 1035 CG ASP A 142 19.736 -2.942 -18.748 1.00 0.00 C ATOM 1036 OD1 ASP A 142 19.292 -4.048 -19.006 1.00 0.00 O ATOM 1037 OD2 ASP A 142 20.818 -2.748 -18.219 1.00 0.00 O ATOM 0 H ASP A 142 18.844 -1.715 -21.784 1.00 0.00 H new ATOM 0 HA ASP A 142 17.260 -3.027 -19.647 1.00 0.00 H new ATOM 0 HB2 ASP A 142 19.508 -0.968 -19.586 1.00 0.00 H new ATOM 0 HB3 ASP A 142 18.479 -1.277 -18.202 1.00 0.00 H new ATOM 1042 N PHE A 143 15.598 -1.193 -19.459 1.00 0.00 N ATOM 1043 CA PHE A 143 14.548 -0.182 -19.463 1.00 0.00 C ATOM 1044 C PHE A 143 15.010 1.076 -18.735 1.00 0.00 C ATOM 1045 O PHE A 143 16.138 1.144 -18.250 1.00 0.00 O ATOM 1046 CB PHE A 143 13.289 -0.728 -18.789 1.00 0.00 C ATOM 1047 CG PHE A 143 12.501 -1.550 -19.781 1.00 0.00 C ATOM 1048 CD1 PHE A 143 11.890 -0.925 -20.876 1.00 0.00 C ATOM 1049 CD2 PHE A 143 12.382 -2.934 -19.610 1.00 0.00 C ATOM 1050 CE1 PHE A 143 11.160 -1.684 -21.797 1.00 0.00 C ATOM 1051 CE2 PHE A 143 11.651 -3.691 -20.531 1.00 0.00 C ATOM 1052 CZ PHE A 143 11.039 -3.067 -21.625 1.00 0.00 C ATOM 0 H PHE A 143 15.388 -2.022 -18.903 1.00 0.00 H new ATOM 0 HA PHE A 143 14.323 0.072 -20.499 1.00 0.00 H new ATOM 0 HB2 PHE A 143 13.561 -1.340 -17.929 1.00 0.00 H new ATOM 0 HB3 PHE A 143 12.678 0.094 -18.416 1.00 0.00 H new ATOM 0 HD1 PHE A 143 11.983 0.143 -21.009 1.00 0.00 H new ATOM 0 HD2 PHE A 143 12.854 -3.417 -18.767 1.00 0.00 H new ATOM 0 HE1 PHE A 143 10.690 -1.202 -22.641 1.00 0.00 H new ATOM 0 HE2 PHE A 143 11.558 -4.759 -20.398 1.00 0.00 H new ATOM 0 HZ PHE A 143 10.474 -3.653 -22.335 1.00 0.00 H new