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 127 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 131 ASN : amide:sc= -1.15 K(o=-1.2,f=-2.3!) USER MOD Set 2.1: A 120 SER OG : rot 180:sc= 0.855 USER MOD Set 2.2: A 123 SER OG : rot -96:sc= 0.72 USER MOD Single : A 88 CYS SG : rot 180:sc=-0.00982 USER MOD Single : A 95 LYS NZ :NH3+ -150:sc= -0.11 (180deg=-0.755) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 101 LYS NZ :NH3+ -128:sc= 0.852 (180deg=-0.386!) USER MOD Single : A 102 THR OG1 : rot -120:sc= -1.01! USER MOD Single : A 109 TYR OH : rot 180:sc= -2.16! USER MOD Single : A 112 SER OG : rot 180:sc= 0.439 USER MOD Single : A 114 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.34) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=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 126 ASN : amide:sc= -0.0275 K(o=-0.028,f=-1.7!) USER MOD Single : A 129 HIS : no HD1:sc=-0.00353 X(o=-0.0035,f=-0.0035) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot -125:sc= -0.281 USER MOD Single : A 137 LYS NZ :NH3+ -160:sc= -0.0481 (180deg=-0.645) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 23.887 -1.990 -24.086 1.00 0.00 N ATOM 135 CA PRO A 87 24.861 -2.610 -25.030 1.00 0.00 C ATOM 136 C PRO A 87 25.275 -1.655 -26.147 1.00 0.00 C ATOM 137 O PRO A 87 24.477 -0.839 -26.608 1.00 0.00 O ATOM 138 CB PRO A 87 24.100 -3.816 -25.587 1.00 0.00 C ATOM 139 CG PRO A 87 22.657 -3.475 -25.444 1.00 0.00 C ATOM 140 CD PRO A 87 22.546 -2.576 -24.233 1.00 0.00 C ATOM 0 HA PRO A 87 25.796 -2.880 -24.538 1.00 0.00 H new ATOM 0 HB2 PRO A 87 24.359 -3.996 -26.630 1.00 0.00 H new ATOM 0 HB3 PRO A 87 24.345 -4.724 -25.036 1.00 0.00 H new ATOM 0 HG2 PRO A 87 22.287 -2.971 -26.337 1.00 0.00 H new ATOM 0 HG3 PRO A 87 22.057 -4.376 -25.315 1.00 0.00 H new ATOM 0 HD2 PRO A 87 21.790 -1.805 -24.379 1.00 0.00 H new ATOM 0 HD3 PRO A 87 22.259 -3.140 -23.345 1.00 0.00 H new ATOM 148 N CYS A 88 26.527 -1.765 -26.576 1.00 0.00 N ATOM 149 CA CYS A 88 27.041 -0.911 -27.640 1.00 0.00 C ATOM 150 C CYS A 88 26.381 -1.252 -28.972 1.00 0.00 C ATOM 151 O CYS A 88 26.225 -2.422 -29.317 1.00 0.00 O ATOM 152 CB CYS A 88 28.556 -1.075 -27.760 1.00 0.00 C ATOM 153 SG CYS A 88 29.178 0.013 -29.067 1.00 0.00 S ATOM 0 H CYS A 88 27.202 -2.434 -26.205 1.00 0.00 H new ATOM 0 HA CYS A 88 26.809 0.124 -27.389 1.00 0.00 H new ATOM 0 HB2 CYS A 88 29.035 -0.833 -26.811 1.00 0.00 H new ATOM 0 HB3 CYS A 88 28.804 -2.112 -27.987 1.00 0.00 H new ATOM 0 HG CYS A 88 30.467 -0.124 -29.169 1.00 0.00 H new ATOM 159 N GLY A 89 25.993 -0.220 -29.716 1.00 0.00 N ATOM 160 CA GLY A 89 25.349 -0.418 -31.008 1.00 0.00 C ATOM 161 C GLY A 89 23.840 -0.233 -30.903 1.00 0.00 C ATOM 162 O GLY A 89 23.157 -0.043 -31.911 1.00 0.00 O ATOM 0 H GLY A 89 26.113 0.757 -29.447 1.00 0.00 H new ATOM 0 HA2 GLY A 89 25.755 0.288 -31.732 1.00 0.00 H new ATOM 0 HA3 GLY A 89 25.571 -1.419 -31.379 1.00 0.00 H new ATOM 166 N TRP A 90 23.325 -0.277 -29.680 1.00 0.00 N ATOM 167 CA TRP A 90 21.896 -0.101 -29.451 1.00 0.00 C ATOM 168 C TRP A 90 21.592 1.338 -29.054 1.00 0.00 C ATOM 169 O TRP A 90 22.379 1.972 -28.348 1.00 0.00 O ATOM 170 CB TRP A 90 21.422 -1.051 -28.353 1.00 0.00 C ATOM 171 CG TRP A 90 21.468 -2.457 -28.862 1.00 0.00 C ATOM 172 CD1 TRP A 90 22.571 -3.236 -28.896 1.00 0.00 C ATOM 173 CD2 TRP A 90 20.380 -3.266 -29.397 1.00 0.00 C ATOM 174 NE1 TRP A 90 22.233 -4.469 -29.425 1.00 0.00 N ATOM 175 CE2 TRP A 90 20.892 -4.537 -29.747 1.00 0.00 C ATOM 176 CE3 TRP A 90 19.010 -3.021 -29.613 1.00 0.00 C ATOM 177 CZ2 TRP A 90 20.078 -5.530 -30.291 1.00 0.00 C ATOM 178 CZ3 TRP A 90 18.187 -4.018 -30.160 1.00 0.00 C ATOM 179 CH2 TRP A 90 18.720 -5.270 -30.498 1.00 0.00 C ATOM 0 H TRP A 90 23.873 -0.433 -28.834 1.00 0.00 H new ATOM 0 HA TRP A 90 21.367 -0.328 -30.376 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.055 -0.950 -27.471 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.407 -0.795 -28.048 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.556 -2.944 -28.564 1.00 0.00 H new ATOM 0 HE1 TRP A 90 22.894 -5.234 -29.561 1.00 0.00 H new ATOM 0 HE3 TRP A 90 18.590 -2.060 -29.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 20.493 -6.493 -30.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 17.138 -3.820 -30.321 1.00 0.00 H new ATOM 0 HH2 TRP A 90 18.082 -6.033 -30.918 1.00 0.00 H new ATOM 190 N GLU A 91 20.451 1.848 -29.512 1.00 0.00 N ATOM 191 CA GLU A 91 20.052 3.216 -29.200 1.00 0.00 C ATOM 192 C GLU A 91 18.695 3.231 -28.507 1.00 0.00 C ATOM 193 O GLU A 91 17.872 2.341 -28.718 1.00 0.00 O ATOM 194 CB GLU A 91 19.981 4.043 -30.484 1.00 0.00 C ATOM 195 CG GLU A 91 21.386 4.205 -31.066 1.00 0.00 C ATOM 196 CD GLU A 91 21.322 4.984 -32.375 1.00 0.00 C ATOM 197 OE1 GLU A 91 20.221 5.233 -32.839 1.00 0.00 O ATOM 198 OE2 GLU A 91 22.373 5.319 -32.894 1.00 0.00 O ATOM 0 H GLU A 91 19.790 1.337 -30.097 1.00 0.00 H new ATOM 0 HA GLU A 91 20.794 3.649 -28.530 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.330 3.554 -31.209 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.547 5.021 -30.275 1.00 0.00 H new ATOM 0 HG2 GLU A 91 22.026 4.727 -30.354 1.00 0.00 H new ATOM 0 HG3 GLU A 91 21.833 3.226 -31.238 1.00 0.00 H new ATOM 205 N ARG A 92 18.472 4.248 -27.677 1.00 0.00 N ATOM 206 CA ARG A 92 17.211 4.374 -26.953 1.00 0.00 C ATOM 207 C ARG A 92 16.530 5.693 -27.301 1.00 0.00 C ATOM 208 O ARG A 92 17.157 6.752 -27.282 1.00 0.00 O ATOM 209 CB ARG A 92 17.466 4.310 -25.445 1.00 0.00 C ATOM 210 CG ARG A 92 16.130 4.346 -24.700 1.00 0.00 C ATOM 211 CD ARG A 92 16.377 4.212 -23.198 1.00 0.00 C ATOM 212 NE ARG A 92 17.096 5.380 -22.699 1.00 0.00 N ATOM 213 CZ ARG A 92 16.450 6.502 -22.397 1.00 0.00 C ATOM 214 NH1 ARG A 92 15.156 6.572 -22.545 1.00 0.00 N ATOM 215 NH2 ARG A 92 17.113 7.534 -21.951 1.00 0.00 N ATOM 0 H ARG A 92 19.144 4.992 -27.490 1.00 0.00 H new ATOM 0 HA ARG A 92 16.559 3.551 -27.244 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.009 3.399 -25.196 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.090 5.148 -25.135 1.00 0.00 H new ATOM 0 HG2 ARG A 92 15.609 5.280 -24.911 1.00 0.00 H new ATOM 0 HG3 ARG A 92 15.487 3.537 -25.047 1.00 0.00 H new ATOM 0 HD2 ARG A 92 15.427 4.109 -22.674 1.00 0.00 H new ATOM 0 HD3 ARG A 92 16.952 3.308 -22.996 1.00 0.00 H new ATOM 0 HE ARG A 92 18.108 5.335 -22.580 1.00 0.00 H new ATOM 0 HH11 ARG A 92 14.638 5.765 -22.893 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.662 7.434 -22.313 1.00 0.00 H new ATOM 0 HH21 ARG A 92 18.125 7.479 -21.835 1.00 0.00 H new ATOM 0 HH22 ARG A 92 16.619 8.396 -21.719 1.00 0.00 H new ATOM 229 N VAL A 93 15.245 5.615 -27.624 1.00 0.00 N ATOM 230 CA VAL A 93 14.469 6.797 -27.981 1.00 0.00 C ATOM 231 C VAL A 93 13.193 6.887 -27.156 1.00 0.00 C ATOM 232 O VAL A 93 12.507 5.887 -26.951 1.00 0.00 O ATOM 233 CB VAL A 93 14.115 6.756 -29.467 1.00 0.00 C ATOM 234 CG1 VAL A 93 12.948 7.706 -29.735 1.00 0.00 C ATOM 235 CG2 VAL A 93 15.327 7.206 -30.290 1.00 0.00 C ATOM 0 H VAL A 93 14.716 4.743 -27.646 1.00 0.00 H new ATOM 0 HA VAL A 93 15.077 7.677 -27.771 1.00 0.00 H new ATOM 0 HB VAL A 93 13.836 5.740 -29.747 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.693 7.679 -30.794 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.085 7.397 -29.146 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.233 8.720 -29.456 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.077 7.178 -31.351 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.601 8.223 -30.009 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.166 6.538 -30.097 1.00 0.00 H new ATOM 245 N VAL A 94 12.880 8.096 -26.692 1.00 0.00 N ATOM 246 CA VAL A 94 11.676 8.309 -25.896 1.00 0.00 C ATOM 247 C VAL A 94 10.708 9.233 -26.628 1.00 0.00 C ATOM 248 O VAL A 94 11.116 10.236 -27.213 1.00 0.00 O ATOM 249 CB VAL A 94 12.044 8.919 -24.543 1.00 0.00 C ATOM 250 CG1 VAL A 94 12.965 7.962 -23.785 1.00 0.00 C ATOM 251 CG2 VAL A 94 12.762 10.250 -24.765 1.00 0.00 C ATOM 0 H VAL A 94 13.438 8.934 -26.852 1.00 0.00 H new ATOM 0 HA VAL A 94 11.192 7.345 -25.738 1.00 0.00 H new ATOM 0 HB VAL A 94 11.138 9.087 -23.961 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.227 8.397 -22.821 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.453 7.013 -23.628 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.872 7.793 -24.366 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.025 10.687 -23.802 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.668 10.082 -25.347 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.105 10.932 -25.305 1.00 0.00 H new ATOM 261 N LYS A 95 9.425 8.887 -26.589 1.00 0.00 N ATOM 262 CA LYS A 95 8.405 9.693 -27.250 1.00 0.00 C ATOM 263 C LYS A 95 7.194 9.880 -26.342 1.00 0.00 C ATOM 264 O LYS A 95 6.547 8.913 -25.945 1.00 0.00 O ATOM 265 CB LYS A 95 7.969 9.015 -28.551 1.00 0.00 C ATOM 266 CG LYS A 95 8.963 9.358 -29.665 1.00 0.00 C ATOM 267 CD LYS A 95 8.582 10.695 -30.305 1.00 0.00 C ATOM 268 CE LYS A 95 7.710 10.438 -31.537 1.00 0.00 C ATOM 269 NZ LYS A 95 8.529 9.780 -32.595 1.00 0.00 N ATOM 0 H LYS A 95 9.069 8.060 -26.110 1.00 0.00 H new ATOM 0 HA LYS A 95 8.830 10.672 -27.473 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.921 7.935 -28.412 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.968 9.346 -28.828 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.973 9.413 -29.259 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.965 8.571 -30.419 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.044 11.314 -29.587 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.480 11.244 -30.589 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.863 9.805 -31.271 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.302 11.377 -31.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.165 10.047 -33.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.519 10.086 -32.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.474 8.747 -32.484 1.00 0.00 H new ATOM 283 N GLN A 96 6.891 11.130 -26.020 1.00 0.00 N ATOM 284 CA GLN A 96 5.754 11.430 -25.160 1.00 0.00 C ATOM 285 C GLN A 96 4.445 11.305 -25.936 1.00 0.00 C ATOM 286 O GLN A 96 4.299 11.865 -27.022 1.00 0.00 O ATOM 287 CB GLN A 96 5.881 12.848 -24.601 1.00 0.00 C ATOM 288 CG GLN A 96 4.745 13.112 -23.608 1.00 0.00 C ATOM 289 CD GLN A 96 4.912 14.492 -22.979 1.00 0.00 C ATOM 290 OE1 GLN A 96 6.028 14.895 -22.654 1.00 0.00 O ATOM 291 NE2 GLN A 96 3.861 15.243 -22.789 1.00 0.00 N ATOM 0 H GLN A 96 7.412 11.947 -26.338 1.00 0.00 H new ATOM 0 HA GLN A 96 5.747 10.714 -24.339 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.845 12.970 -24.107 1.00 0.00 H new ATOM 0 HB3 GLN A 96 5.844 13.575 -25.413 1.00 0.00 H new ATOM 0 HG2 GLN A 96 3.784 13.050 -24.118 1.00 0.00 H new ATOM 0 HG3 GLN A 96 4.744 12.347 -22.832 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.937 14.905 -23.060 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.964 16.167 -22.370 1.00 0.00 H new ATOM 300 N ARG A 97 3.495 10.570 -25.365 1.00 0.00 N ATOM 301 CA ARG A 97 2.194 10.380 -25.999 1.00 0.00 C ATOM 302 C ARG A 97 1.396 11.677 -25.986 1.00 0.00 C ATOM 303 O ARG A 97 1.719 12.609 -25.251 1.00 0.00 O ATOM 304 CB ARG A 97 1.407 9.287 -25.276 1.00 0.00 C ATOM 305 CG ARG A 97 1.231 9.674 -23.813 1.00 0.00 C ATOM 306 CD ARG A 97 0.618 8.499 -23.059 1.00 0.00 C ATOM 307 NE ARG A 97 1.514 7.345 -23.113 1.00 0.00 N ATOM 308 CZ ARG A 97 1.044 6.101 -23.055 1.00 0.00 C ATOM 309 NH1 ARG A 97 -0.235 5.894 -22.964 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.867 5.092 -23.082 1.00 0.00 N ATOM 0 H ARG A 97 3.601 10.098 -24.467 1.00 0.00 H new ATOM 0 HA ARG A 97 2.361 10.079 -27.033 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.434 9.152 -25.748 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.932 8.335 -25.351 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.193 9.941 -23.376 1.00 0.00 H new ATOM 0 HG3 ARG A 97 0.589 10.551 -23.730 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.435 8.779 -22.022 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.347 8.241 -23.495 1.00 0.00 H new ATOM 0 HE ARG A 97 2.519 7.496 -23.197 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.879 6.685 -22.937 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.595 4.941 -22.920 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.872 5.255 -23.148 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.507 4.139 -23.038 1.00 0.00 H new ATOM 324 N LEU A 98 0.363 11.735 -26.820 1.00 0.00 N ATOM 325 CA LEU A 98 -0.463 12.932 -26.907 1.00 0.00 C ATOM 326 C LEU A 98 -1.278 13.126 -25.628 1.00 0.00 C ATOM 327 O LEU A 98 -0.735 13.535 -24.603 1.00 0.00 O ATOM 328 CB LEU A 98 -1.410 12.827 -28.109 1.00 0.00 C ATOM 329 CG LEU A 98 -0.656 13.184 -29.389 1.00 0.00 C ATOM 330 CD1 LEU A 98 -0.297 14.675 -29.398 1.00 0.00 C ATOM 331 CD2 LEU A 98 0.624 12.350 -29.462 1.00 0.00 C ATOM 0 H LEU A 98 0.080 10.975 -27.439 1.00 0.00 H new ATOM 0 HA LEU A 98 0.195 13.792 -27.034 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.811 11.816 -28.181 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.259 13.498 -27.976 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.290 12.972 -30.250 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.240 14.914 -30.316 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.209 15.269 -29.346 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.334 14.903 -28.539 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.169 12.598 -30.373 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.249 12.566 -28.595 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.368 11.291 -29.470 1.00 0.00 H new ATOM 343 N PHE A 99 -2.578 12.830 -25.695 1.00 0.00 N ATOM 344 CA PHE A 99 -3.444 12.986 -24.541 1.00 0.00 C ATOM 345 C PHE A 99 -4.553 11.934 -24.557 1.00 0.00 C ATOM 346 O PHE A 99 -4.898 11.408 -25.614 1.00 0.00 O ATOM 347 CB PHE A 99 -4.064 14.385 -24.555 1.00 0.00 C ATOM 348 CG PHE A 99 -2.981 15.416 -24.778 1.00 0.00 C ATOM 349 CD1 PHE A 99 -2.005 15.631 -23.798 1.00 0.00 C ATOM 350 CD2 PHE A 99 -2.954 16.159 -25.967 1.00 0.00 C ATOM 351 CE1 PHE A 99 -1.000 16.584 -24.008 1.00 0.00 C ATOM 352 CE2 PHE A 99 -1.950 17.112 -26.176 1.00 0.00 C ATOM 353 CZ PHE A 99 -0.973 17.324 -25.196 1.00 0.00 C ATOM 0 H PHE A 99 -3.045 12.484 -26.533 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.851 12.854 -23.636 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.814 14.454 -25.343 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.575 14.577 -23.611 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.027 15.062 -22.880 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.709 15.996 -26.722 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.245 16.748 -23.253 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.929 17.683 -27.092 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.198 18.059 -25.357 1.00 0.00 H new ATOM 363 N GLY A 100 -5.113 11.634 -23.384 1.00 0.00 N ATOM 364 CA GLY A 100 -6.180 10.660 -23.286 1.00 0.00 C ATOM 365 C GLY A 100 -6.319 10.182 -21.849 1.00 0.00 C ATOM 366 O GLY A 100 -6.438 10.984 -20.921 1.00 0.00 O ATOM 0 H GLY A 100 -4.840 12.055 -22.496 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.118 11.101 -23.623 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.972 9.814 -23.941 1.00 0.00 H new ATOM 370 N LYS A 101 -6.294 8.873 -21.669 1.00 0.00 N ATOM 371 CA LYS A 101 -6.401 8.296 -20.339 1.00 0.00 C ATOM 372 C LYS A 101 -5.013 8.150 -19.712 1.00 0.00 C ATOM 373 O LYS A 101 -4.859 8.190 -18.492 1.00 0.00 O ATOM 374 CB LYS A 101 -7.095 6.925 -20.426 1.00 0.00 C ATOM 375 CG LYS A 101 -6.545 5.976 -19.354 1.00 0.00 C ATOM 376 CD LYS A 101 -7.040 6.417 -17.972 1.00 0.00 C ATOM 377 CE LYS A 101 -6.161 5.791 -16.889 1.00 0.00 C ATOM 378 NZ LYS A 101 -5.029 6.706 -16.569 1.00 0.00 N ATOM 0 H LYS A 101 -6.201 8.192 -22.422 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.996 8.957 -19.709 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.170 7.046 -20.296 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.940 6.494 -21.415 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.868 4.955 -19.558 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.455 5.977 -19.378 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.012 7.504 -17.894 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.078 6.114 -17.832 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.752 5.601 -15.993 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.778 4.829 -17.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.132 6.184 -16.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.018 7.495 -17.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -5.146 7.079 -15.605 1.00 0.00 H new ATOM 392 N THR A 102 -4.016 7.936 -20.555 1.00 0.00 N ATOM 393 CA THR A 102 -2.656 7.744 -20.073 1.00 0.00 C ATOM 394 C THR A 102 -1.862 9.031 -20.182 1.00 0.00 C ATOM 395 O THR A 102 -0.680 9.064 -19.865 1.00 0.00 O ATOM 396 CB THR A 102 -1.972 6.631 -20.867 1.00 0.00 C ATOM 397 OG1 THR A 102 -2.308 6.781 -22.235 1.00 0.00 O ATOM 398 CG2 THR A 102 -2.432 5.261 -20.361 1.00 0.00 C ATOM 0 H THR A 102 -4.120 7.891 -21.569 1.00 0.00 H new ATOM 0 HA THR A 102 -2.698 7.456 -19.023 1.00 0.00 H new ATOM 0 HB THR A 102 -0.891 6.698 -20.740 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.769 5.975 -22.549 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.938 4.477 -20.934 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.174 5.157 -19.307 1.00 0.00 H new ATOM 0 HG23 THR A 102 -3.512 5.173 -20.481 1.00 0.00 H new ATOM 406 N ALA A 103 -2.525 10.084 -20.636 1.00 0.00 N ATOM 407 CA ALA A 103 -1.871 11.378 -20.791 1.00 0.00 C ATOM 408 C ALA A 103 -0.843 11.601 -19.686 1.00 0.00 C ATOM 409 O ALA A 103 -1.156 11.480 -18.501 1.00 0.00 O ATOM 410 CB ALA A 103 -2.909 12.497 -20.730 1.00 0.00 C ATOM 0 H ALA A 103 -3.509 10.070 -20.903 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.367 11.388 -21.757 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.413 13.460 -20.847 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.635 12.364 -21.532 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.421 12.467 -19.768 1.00 0.00 H new ATOM 416 N GLY A 104 0.381 11.924 -20.088 1.00 0.00 N ATOM 417 CA GLY A 104 1.459 12.163 -19.131 1.00 0.00 C ATOM 418 C GLY A 104 2.469 11.020 -19.131 1.00 0.00 C ATOM 419 O GLY A 104 3.628 11.209 -18.760 1.00 0.00 O ATOM 0 H GLY A 104 0.653 12.027 -21.066 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.965 13.097 -19.376 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.040 12.280 -18.131 1.00 0.00 H new ATOM 423 N ARG A 105 2.030 9.841 -19.555 1.00 0.00 N ATOM 424 CA ARG A 105 2.916 8.684 -19.601 1.00 0.00 C ATOM 425 C ARG A 105 3.990 8.880 -20.660 1.00 0.00 C ATOM 426 O ARG A 105 3.827 9.682 -21.579 1.00 0.00 O ATOM 427 CB ARG A 105 2.114 7.416 -19.917 1.00 0.00 C ATOM 428 CG ARG A 105 2.467 6.315 -18.920 1.00 0.00 C ATOM 429 CD ARG A 105 2.028 6.719 -17.513 1.00 0.00 C ATOM 430 NE ARG A 105 1.191 7.922 -17.563 1.00 0.00 N ATOM 431 CZ ARG A 105 1.496 9.029 -16.885 1.00 0.00 C ATOM 432 NH1 ARG A 105 2.565 9.075 -16.140 1.00 0.00 N ATOM 433 NH2 ARG A 105 0.721 10.076 -16.971 1.00 0.00 N ATOM 0 H ARG A 105 1.076 9.661 -19.869 1.00 0.00 H new ATOM 0 HA ARG A 105 3.391 8.577 -18.626 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.046 7.630 -19.872 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.330 7.082 -20.932 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.980 5.383 -19.208 1.00 0.00 H new ATOM 0 HG3 ARG A 105 3.541 6.131 -18.935 1.00 0.00 H new ATOM 0 HD2 ARG A 105 1.474 5.902 -17.050 1.00 0.00 H new ATOM 0 HD3 ARG A 105 2.904 6.904 -16.891 1.00 0.00 H new ATOM 0 HE ARG A 105 0.347 7.912 -18.136 1.00 0.00 H new ATOM 0 HH11 ARG A 105 3.175 8.260 -16.073 1.00 0.00 H new ATOM 0 HH12 ARG A 105 2.791 9.926 -15.625 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -0.115 10.045 -17.555 1.00 0.00 H new ATOM 0 HH22 ARG A 105 0.951 10.925 -16.454 1.00 0.00 H new ATOM 447 N PHE A 106 5.089 8.143 -20.523 1.00 0.00 N ATOM 448 CA PHE A 106 6.196 8.240 -21.470 1.00 0.00 C ATOM 449 C PHE A 106 6.413 6.907 -22.178 1.00 0.00 C ATOM 450 O PHE A 106 6.260 5.845 -21.577 1.00 0.00 O ATOM 451 CB PHE A 106 7.475 8.647 -20.739 1.00 0.00 C ATOM 452 CG PHE A 106 7.324 10.051 -20.200 1.00 0.00 C ATOM 453 CD1 PHE A 106 7.682 11.146 -20.996 1.00 0.00 C ATOM 454 CD2 PHE A 106 6.827 10.258 -18.908 1.00 0.00 C ATOM 455 CE1 PHE A 106 7.543 12.448 -20.499 1.00 0.00 C ATOM 456 CE2 PHE A 106 6.688 11.560 -18.411 1.00 0.00 C ATOM 457 CZ PHE A 106 7.046 12.654 -19.207 1.00 0.00 C ATOM 0 H PHE A 106 5.237 7.474 -19.768 1.00 0.00 H new ATOM 0 HA PHE A 106 5.948 8.997 -22.214 1.00 0.00 H new ATOM 0 HB2 PHE A 106 7.677 7.953 -19.923 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.326 8.597 -21.418 1.00 0.00 H new ATOM 0 HD1 PHE A 106 8.065 10.987 -21.993 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.551 9.413 -18.294 1.00 0.00 H new ATOM 0 HE1 PHE A 106 7.819 13.293 -21.113 1.00 0.00 H new ATOM 0 HE2 PHE A 106 6.305 11.720 -17.414 1.00 0.00 H new ATOM 0 HZ PHE A 106 6.939 13.658 -18.824 1.00 0.00 H new ATOM 467 N ASP A 107 6.776 6.977 -23.457 1.00 0.00 N ATOM 468 CA ASP A 107 7.019 5.771 -24.244 1.00 0.00 C ATOM 469 C ASP A 107 8.483 5.693 -24.656 1.00 0.00 C ATOM 470 O ASP A 107 9.079 6.693 -25.045 1.00 0.00 O ATOM 471 CB ASP A 107 6.133 5.771 -25.490 1.00 0.00 C ATOM 472 CG ASP A 107 4.671 5.920 -25.087 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.238 7.046 -24.898 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.004 4.906 -24.986 1.00 0.00 O ATOM 0 H ASP A 107 6.908 7.850 -23.967 1.00 0.00 H new ATOM 0 HA ASP A 107 6.777 4.903 -23.631 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.422 6.587 -26.152 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.273 4.844 -26.047 1.00 0.00 H new ATOM 479 N VAL A 108 9.055 4.498 -24.559 1.00 0.00 N ATOM 480 CA VAL A 108 10.453 4.302 -24.923 1.00 0.00 C ATOM 481 C VAL A 108 10.647 2.963 -25.630 1.00 0.00 C ATOM 482 O VAL A 108 9.913 2.008 -25.383 1.00 0.00 O ATOM 483 CB VAL A 108 11.326 4.348 -23.667 1.00 0.00 C ATOM 484 CG1 VAL A 108 10.728 5.339 -22.666 1.00 0.00 C ATOM 485 CG2 VAL A 108 11.387 2.959 -23.036 1.00 0.00 C ATOM 0 H VAL A 108 8.577 3.657 -24.234 1.00 0.00 H new ATOM 0 HA VAL A 108 10.746 5.101 -25.604 1.00 0.00 H new ATOM 0 HB VAL A 108 12.333 4.667 -23.937 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.350 5.372 -21.771 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.687 6.331 -23.116 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.721 5.021 -22.397 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.009 2.993 -22.142 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.381 2.637 -22.767 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.815 2.254 -23.749 1.00 0.00 H new ATOM 495 N TYR A 109 11.649 2.899 -26.499 1.00 0.00 N ATOM 496 CA TYR A 109 11.943 1.670 -27.226 1.00 0.00 C ATOM 497 C TYR A 109 13.400 1.639 -27.665 1.00 0.00 C ATOM 498 O TYR A 109 14.057 2.679 -27.740 1.00 0.00 O ATOM 499 CB TYR A 109 11.023 1.552 -28.442 1.00 0.00 C ATOM 500 CG TYR A 109 11.188 2.769 -29.317 1.00 0.00 C ATOM 501 CD1 TYR A 109 10.406 3.905 -29.080 1.00 0.00 C ATOM 502 CD2 TYR A 109 12.121 2.765 -30.359 1.00 0.00 C ATOM 503 CE1 TYR A 109 10.554 5.038 -29.886 1.00 0.00 C ATOM 504 CE2 TYR A 109 12.268 3.900 -31.165 1.00 0.00 C ATOM 505 CZ TYR A 109 11.486 5.037 -30.929 1.00 0.00 C ATOM 506 OH TYR A 109 11.635 6.154 -31.726 1.00 0.00 O ATOM 0 H TYR A 109 12.269 3.679 -26.717 1.00 0.00 H new ATOM 0 HA TYR A 109 11.768 0.824 -26.562 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.262 0.650 -29.006 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.986 1.461 -28.119 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.687 3.907 -28.274 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.726 1.889 -30.541 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.949 5.914 -29.703 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.987 3.899 -31.971 1.00 0.00 H new ATOM 0 HH TYR A 109 12.325 5.985 -32.401 1.00 0.00 H new ATOM 516 N PHE A 110 13.906 0.442 -27.950 1.00 0.00 N ATOM 517 CA PHE A 110 15.293 0.293 -28.370 1.00 0.00 C ATOM 518 C PHE A 110 15.373 0.057 -29.872 1.00 0.00 C ATOM 519 O PHE A 110 14.533 -0.638 -30.445 1.00 0.00 O ATOM 520 CB PHE A 110 15.931 -0.887 -27.633 1.00 0.00 C ATOM 521 CG PHE A 110 14.857 -1.855 -27.194 1.00 0.00 C ATOM 522 CD1 PHE A 110 14.008 -1.519 -26.132 1.00 0.00 C ATOM 523 CD2 PHE A 110 14.706 -3.085 -27.848 1.00 0.00 C ATOM 524 CE1 PHE A 110 13.012 -2.413 -25.723 1.00 0.00 C ATOM 525 CE2 PHE A 110 13.707 -3.978 -27.437 1.00 0.00 C ATOM 526 CZ PHE A 110 12.861 -3.641 -26.376 1.00 0.00 C ATOM 0 H PHE A 110 13.380 -0.431 -27.898 1.00 0.00 H new ATOM 0 HA PHE A 110 15.830 1.210 -28.129 1.00 0.00 H new ATOM 0 HB2 PHE A 110 16.645 -1.392 -28.284 1.00 0.00 H new ATOM 0 HB3 PHE A 110 16.487 -0.529 -26.767 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.122 -0.570 -25.629 1.00 0.00 H new ATOM 0 HD2 PHE A 110 15.359 -3.345 -28.668 1.00 0.00 H new ATOM 0 HE1 PHE A 110 12.359 -2.155 -24.902 1.00 0.00 H new ATOM 0 HE2 PHE A 110 13.591 -4.927 -27.940 1.00 0.00 H new ATOM 0 HZ PHE A 110 12.091 -4.329 -26.060 1.00 0.00 H new ATOM 536 N ILE A 111 16.385 0.649 -30.504 1.00 0.00 N ATOM 537 CA ILE A 111 16.557 0.507 -31.944 1.00 0.00 C ATOM 538 C ILE A 111 17.852 -0.232 -32.252 1.00 0.00 C ATOM 539 O ILE A 111 18.934 0.197 -31.847 1.00 0.00 O ATOM 540 CB ILE A 111 16.598 1.888 -32.601 1.00 0.00 C ATOM 541 CG1 ILE A 111 15.354 2.681 -32.195 1.00 0.00 C ATOM 542 CG2 ILE A 111 16.610 1.725 -34.125 1.00 0.00 C ATOM 543 CD1 ILE A 111 15.444 4.106 -32.750 1.00 0.00 C ATOM 0 H ILE A 111 17.090 1.225 -30.045 1.00 0.00 H new ATOM 0 HA ILE A 111 15.716 -0.063 -32.339 1.00 0.00 H new ATOM 0 HB ILE A 111 17.495 2.417 -32.278 1.00 0.00 H new ATOM 0 HG12 ILE A 111 14.458 2.189 -32.574 1.00 0.00 H new ATOM 0 HG13 ILE A 111 15.267 2.709 -31.109 1.00 0.00 H new ATOM 0 HG21 ILE A 111 16.639 2.708 -34.596 1.00 0.00 H new ATOM 0 HG22 ILE A 111 17.489 1.154 -34.423 1.00 0.00 H new ATOM 0 HG23 ILE A 111 15.710 1.198 -34.442 1.00 0.00 H new ATOM 0 HD11 ILE A 111 14.556 4.667 -32.458 1.00 0.00 H new ATOM 0 HD12 ILE A 111 16.331 4.597 -32.350 1.00 0.00 H new ATOM 0 HD13 ILE A 111 15.509 4.069 -33.837 1.00 0.00 H new ATOM 555 N SER A 112 17.738 -1.343 -32.971 1.00 0.00 N ATOM 556 CA SER A 112 18.907 -2.132 -33.326 1.00 0.00 C ATOM 557 C SER A 112 19.614 -1.526 -34.535 1.00 0.00 C ATOM 558 O SER A 112 19.029 -0.735 -35.277 1.00 0.00 O ATOM 559 CB SER A 112 18.488 -3.569 -33.645 1.00 0.00 C ATOM 560 OG SER A 112 19.037 -3.949 -34.900 1.00 0.00 O ATOM 0 H SER A 112 16.853 -1.714 -33.317 1.00 0.00 H new ATOM 0 HA SER A 112 19.594 -2.133 -32.480 1.00 0.00 H new ATOM 0 HB2 SER A 112 18.836 -4.244 -32.863 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.401 -3.646 -33.672 1.00 0.00 H new ATOM 0 HG SER A 112 18.772 -4.869 -35.108 1.00 0.00 H new ATOM 566 N PRO A 113 20.853 -1.883 -34.743 1.00 0.00 N ATOM 567 CA PRO A 113 21.663 -1.368 -35.886 1.00 0.00 C ATOM 568 C PRO A 113 21.078 -1.773 -37.236 1.00 0.00 C ATOM 569 O PRO A 113 21.374 -1.159 -38.260 1.00 0.00 O ATOM 570 CB PRO A 113 23.044 -2.001 -35.673 1.00 0.00 C ATOM 571 CG PRO A 113 22.805 -3.183 -34.794 1.00 0.00 C ATOM 572 CD PRO A 113 21.624 -2.819 -33.909 1.00 0.00 C ATOM 0 HA PRO A 113 21.690 -0.279 -35.907 1.00 0.00 H new ATOM 0 HB2 PRO A 113 23.490 -2.300 -36.622 1.00 0.00 H new ATOM 0 HB3 PRO A 113 23.732 -1.296 -35.206 1.00 0.00 H new ATOM 0 HG2 PRO A 113 22.588 -4.072 -35.387 1.00 0.00 H new ATOM 0 HG3 PRO A 113 23.687 -3.407 -34.194 1.00 0.00 H new ATOM 0 HD2 PRO A 113 21.036 -3.697 -33.641 1.00 0.00 H new ATOM 0 HD3 PRO A 113 21.947 -2.355 -32.977 1.00 0.00 H new ATOM 580 N GLN A 114 20.242 -2.803 -37.226 1.00 0.00 N ATOM 581 CA GLN A 114 19.618 -3.278 -38.456 1.00 0.00 C ATOM 582 C GLN A 114 18.501 -2.329 -38.889 1.00 0.00 C ATOM 583 O GLN A 114 17.858 -2.532 -39.915 1.00 0.00 O ATOM 584 CB GLN A 114 19.047 -4.685 -38.245 1.00 0.00 C ATOM 585 CG GLN A 114 18.912 -5.398 -39.595 1.00 0.00 C ATOM 586 CD GLN A 114 20.294 -5.703 -40.164 1.00 0.00 C ATOM 587 OE1 GLN A 114 20.715 -5.084 -41.143 1.00 0.00 O ATOM 588 NE2 GLN A 114 21.031 -6.622 -39.604 1.00 0.00 N ATOM 0 H GLN A 114 19.981 -3.323 -36.388 1.00 0.00 H new ATOM 0 HA GLN A 114 20.376 -3.310 -39.239 1.00 0.00 H new ATOM 0 HB2 GLN A 114 19.699 -5.257 -37.585 1.00 0.00 H new ATOM 0 HB3 GLN A 114 18.074 -4.623 -37.757 1.00 0.00 H new ATOM 0 HG2 GLN A 114 18.348 -6.323 -39.473 1.00 0.00 H new ATOM 0 HG3 GLN A 114 18.353 -4.773 -40.291 1.00 0.00 H new ATOM 0 HE21 GLN A 114 20.681 -7.133 -38.794 1.00 0.00 H new ATOM 0 HE22 GLN A 114 21.958 -6.830 -39.976 1.00 0.00 H new ATOM 597 N GLY A 115 18.282 -1.288 -38.098 1.00 0.00 N ATOM 598 CA GLY A 115 17.244 -0.312 -38.410 1.00 0.00 C ATOM 599 C GLY A 115 15.877 -0.808 -37.954 1.00 0.00 C ATOM 600 O GLY A 115 14.862 -0.144 -38.171 1.00 0.00 O ATOM 0 H GLY A 115 18.803 -1.097 -37.242 1.00 0.00 H new ATOM 0 HA2 GLY A 115 17.472 0.636 -37.923 1.00 0.00 H new ATOM 0 HA3 GLY A 115 17.227 -0.123 -39.483 1.00 0.00 H new ATOM 604 N LEU A 116 15.855 -1.977 -37.325 1.00 0.00 N ATOM 605 CA LEU A 116 14.605 -2.551 -36.843 1.00 0.00 C ATOM 606 C LEU A 116 14.294 -2.052 -35.438 1.00 0.00 C ATOM 607 O LEU A 116 15.197 -1.879 -34.619 1.00 0.00 O ATOM 608 CB LEU A 116 14.700 -4.079 -36.837 1.00 0.00 C ATOM 609 CG LEU A 116 14.258 -4.625 -38.197 1.00 0.00 C ATOM 610 CD1 LEU A 116 15.180 -4.082 -39.292 1.00 0.00 C ATOM 611 CD2 LEU A 116 14.332 -6.153 -38.180 1.00 0.00 C ATOM 0 H LEU A 116 16.683 -2.543 -37.138 1.00 0.00 H new ATOM 0 HA LEU A 116 13.802 -2.241 -37.512 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.723 -4.389 -36.624 1.00 0.00 H new ATOM 0 HB3 LEU A 116 14.071 -4.490 -36.047 1.00 0.00 H new ATOM 0 HG LEU A 116 13.234 -4.312 -38.398 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.864 -4.472 -40.260 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.128 -2.993 -39.305 1.00 0.00 H new ATOM 0 HD13 LEU A 116 16.205 -4.394 -39.092 1.00 0.00 H new ATOM 0 HD21 LEU A 116 14.017 -6.543 -39.148 1.00 0.00 H new ATOM 0 HD22 LEU A 116 15.357 -6.465 -37.978 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.675 -6.540 -37.402 1.00 0.00 H new ATOM 623 N LYS A 117 13.013 -1.820 -35.167 1.00 0.00 N ATOM 624 CA LYS A 117 12.595 -1.336 -33.856 1.00 0.00 C ATOM 625 C LYS A 117 11.909 -2.448 -33.069 1.00 0.00 C ATOM 626 O LYS A 117 11.222 -3.294 -33.642 1.00 0.00 O ATOM 627 CB LYS A 117 11.635 -0.156 -34.017 1.00 0.00 C ATOM 628 CG LYS A 117 12.340 0.973 -34.774 1.00 0.00 C ATOM 629 CD LYS A 117 11.406 2.178 -34.880 1.00 0.00 C ATOM 630 CE LYS A 117 12.111 3.308 -35.633 1.00 0.00 C ATOM 631 NZ LYS A 117 11.202 4.486 -35.725 1.00 0.00 N ATOM 0 H LYS A 117 12.252 -1.958 -35.832 1.00 0.00 H new ATOM 0 HA LYS A 117 13.481 -1.012 -33.309 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.743 -0.470 -34.558 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.307 0.196 -33.039 1.00 0.00 H new ATOM 0 HG2 LYS A 117 13.257 1.255 -34.256 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.627 0.634 -35.769 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.490 1.897 -35.400 1.00 0.00 H new ATOM 0 HD3 LYS A 117 11.117 2.515 -33.885 1.00 0.00 H new ATOM 0 HE2 LYS A 117 13.031 3.584 -35.118 1.00 0.00 H new ATOM 0 HE3 LYS A 117 12.393 2.974 -36.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.681 5.255 -36.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 10.336 4.217 -36.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.954 4.809 -34.768 1.00 0.00 H new ATOM 645 N PHE A 118 12.099 -2.435 -31.754 1.00 0.00 N ATOM 646 CA PHE A 118 11.490 -3.444 -30.894 1.00 0.00 C ATOM 647 C PHE A 118 11.012 -2.825 -29.584 1.00 0.00 C ATOM 648 O PHE A 118 11.652 -1.920 -29.046 1.00 0.00 O ATOM 649 CB PHE A 118 12.498 -4.555 -30.603 1.00 0.00 C ATOM 650 CG PHE A 118 12.923 -5.202 -31.899 1.00 0.00 C ATOM 651 CD1 PHE A 118 12.064 -6.096 -32.548 1.00 0.00 C ATOM 652 CD2 PHE A 118 14.175 -4.906 -32.453 1.00 0.00 C ATOM 653 CE1 PHE A 118 12.457 -6.696 -33.750 1.00 0.00 C ATOM 654 CE2 PHE A 118 14.568 -5.506 -33.655 1.00 0.00 C ATOM 655 CZ PHE A 118 13.709 -6.402 -34.304 1.00 0.00 C ATOM 0 H PHE A 118 12.665 -1.743 -31.263 1.00 0.00 H new ATOM 0 HA PHE A 118 10.628 -3.862 -31.413 1.00 0.00 H new ATOM 0 HB2 PHE A 118 13.366 -4.146 -30.086 1.00 0.00 H new ATOM 0 HB3 PHE A 118 12.054 -5.299 -29.941 1.00 0.00 H new ATOM 0 HD1 PHE A 118 11.098 -6.323 -32.122 1.00 0.00 H new ATOM 0 HD2 PHE A 118 14.837 -4.215 -31.953 1.00 0.00 H new ATOM 0 HE1 PHE A 118 11.794 -7.386 -34.251 1.00 0.00 H new ATOM 0 HE2 PHE A 118 15.533 -5.278 -34.082 1.00 0.00 H new ATOM 0 HZ PHE A 118 14.012 -6.866 -35.231 1.00 0.00 H new ATOM 665 N ARG A 119 9.892 -3.323 -29.070 1.00 0.00 N ATOM 666 CA ARG A 119 9.346 -2.815 -27.817 1.00 0.00 C ATOM 667 C ARG A 119 8.836 -3.967 -26.952 1.00 0.00 C ATOM 668 O ARG A 119 8.217 -3.750 -25.911 1.00 0.00 O ATOM 669 CB ARG A 119 8.201 -1.842 -28.098 1.00 0.00 C ATOM 670 CG ARG A 119 8.005 -0.920 -26.893 1.00 0.00 C ATOM 671 CD ARG A 119 6.537 -0.506 -26.799 1.00 0.00 C ATOM 672 NE ARG A 119 5.695 -1.684 -26.612 1.00 0.00 N ATOM 673 CZ ARG A 119 4.406 -1.568 -26.320 1.00 0.00 C ATOM 674 NH1 ARG A 119 3.870 -0.385 -26.196 1.00 0.00 N ATOM 675 NH2 ARG A 119 3.671 -2.636 -26.179 1.00 0.00 N ATOM 0 H ARG A 119 9.348 -4.072 -29.498 1.00 0.00 H new ATOM 0 HA ARG A 119 10.140 -2.293 -27.282 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.421 -1.252 -28.988 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.283 -2.393 -28.300 1.00 0.00 H new ATOM 0 HG2 ARG A 119 8.309 -1.430 -25.979 1.00 0.00 H new ATOM 0 HG3 ARG A 119 8.637 -0.037 -26.991 1.00 0.00 H new ATOM 0 HD2 ARG A 119 6.398 0.185 -25.968 1.00 0.00 H new ATOM 0 HD3 ARG A 119 6.241 0.022 -27.706 1.00 0.00 H new ATOM 0 HE ARG A 119 6.105 -2.613 -26.708 1.00 0.00 H new ATOM 0 HH11 ARG A 119 4.442 0.450 -26.324 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.879 -0.295 -25.972 1.00 0.00 H new ATOM 0 HH21 ARG A 119 4.087 -3.560 -26.293 1.00 0.00 H new ATOM 0 HH22 ARG A 119 2.680 -2.547 -25.954 1.00 0.00 H new ATOM 689 N SER A 120 9.108 -5.192 -27.384 1.00 0.00 N ATOM 690 CA SER A 120 8.673 -6.363 -26.631 1.00 0.00 C ATOM 691 C SER A 120 9.764 -7.428 -26.627 1.00 0.00 C ATOM 692 O SER A 120 10.544 -7.535 -27.574 1.00 0.00 O ATOM 693 CB SER A 120 7.399 -6.937 -27.255 1.00 0.00 C ATOM 694 OG SER A 120 7.683 -7.387 -28.575 1.00 0.00 O ATOM 0 H SER A 120 9.621 -5.400 -28.241 1.00 0.00 H new ATOM 0 HA SER A 120 8.471 -6.061 -25.603 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.024 -7.762 -26.650 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.617 -6.178 -27.278 1.00 0.00 H new ATOM 0 HG SER A 120 6.869 -7.756 -28.977 1.00 0.00 H new ATOM 700 N LYS A 121 9.815 -8.213 -25.557 1.00 0.00 N ATOM 701 CA LYS A 121 10.815 -9.267 -25.443 1.00 0.00 C ATOM 702 C LYS A 121 10.554 -10.372 -26.458 1.00 0.00 C ATOM 703 O LYS A 121 11.487 -11.004 -26.956 1.00 0.00 O ATOM 704 CB LYS A 121 10.793 -9.846 -24.024 1.00 0.00 C ATOM 705 CG LYS A 121 9.445 -10.528 -23.767 1.00 0.00 C ATOM 706 CD LYS A 121 9.395 -11.032 -22.325 1.00 0.00 C ATOM 707 CE LYS A 121 8.052 -11.724 -22.077 1.00 0.00 C ATOM 708 NZ LYS A 121 8.001 -12.218 -20.672 1.00 0.00 N ATOM 0 H LYS A 121 9.181 -8.141 -24.762 1.00 0.00 H new ATOM 0 HA LYS A 121 11.797 -8.839 -25.647 1.00 0.00 H new ATOM 0 HB2 LYS A 121 11.604 -10.564 -23.901 1.00 0.00 H new ATOM 0 HB3 LYS A 121 10.955 -9.053 -23.294 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.630 -9.826 -23.947 1.00 0.00 H new ATOM 0 HG3 LYS A 121 9.308 -11.359 -24.459 1.00 0.00 H new ATOM 0 HD2 LYS A 121 10.214 -11.727 -22.142 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.522 -10.200 -21.632 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.233 -11.028 -22.259 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.925 -12.555 -22.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.089 -12.688 -20.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.774 -12.895 -20.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.104 -11.416 -20.018 1.00 0.00 H new ATOM 722 N SER A 122 9.277 -10.608 -26.754 1.00 0.00 N ATOM 723 CA SER A 122 8.912 -11.648 -27.708 1.00 0.00 C ATOM 724 C SER A 122 9.347 -11.264 -29.116 1.00 0.00 C ATOM 725 O SER A 122 10.034 -12.027 -29.793 1.00 0.00 O ATOM 726 CB SER A 122 7.398 -11.862 -27.682 1.00 0.00 C ATOM 727 OG SER A 122 7.050 -12.860 -28.631 1.00 0.00 O ATOM 0 H SER A 122 8.489 -10.100 -26.352 1.00 0.00 H new ATOM 0 HA SER A 122 9.419 -12.570 -27.425 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.079 -12.165 -26.685 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.883 -10.929 -27.912 1.00 0.00 H new ATOM 0 HG SER A 122 6.080 -13.001 -28.616 1.00 0.00 H new ATOM 733 N SER A 123 8.933 -10.078 -29.557 1.00 0.00 N ATOM 734 CA SER A 123 9.275 -9.619 -30.898 1.00 0.00 C ATOM 735 C SER A 123 10.777 -9.706 -31.117 1.00 0.00 C ATOM 736 O SER A 123 11.235 -10.133 -32.176 1.00 0.00 O ATOM 737 CB SER A 123 8.823 -8.167 -31.073 1.00 0.00 C ATOM 738 OG SER A 123 9.490 -7.353 -30.114 1.00 0.00 O ATOM 0 H SER A 123 8.368 -9.426 -29.013 1.00 0.00 H new ATOM 0 HA SER A 123 8.771 -10.254 -31.626 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.049 -7.822 -32.082 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.743 -8.091 -30.945 1.00 0.00 H new ATOM 0 HG SER A 123 8.913 -7.230 -29.331 1.00 0.00 H new ATOM 744 N LEU A 124 11.541 -9.318 -30.105 1.00 0.00 N ATOM 745 CA LEU A 124 12.992 -9.373 -30.202 1.00 0.00 C ATOM 746 C LEU A 124 13.460 -10.816 -30.364 1.00 0.00 C ATOM 747 O LEU A 124 14.318 -11.112 -31.193 1.00 0.00 O ATOM 748 CB LEU A 124 13.626 -8.758 -28.948 1.00 0.00 C ATOM 749 CG LEU A 124 15.156 -8.825 -29.048 1.00 0.00 C ATOM 750 CD1 LEU A 124 15.624 -8.041 -30.278 1.00 0.00 C ATOM 751 CD2 LEU A 124 15.775 -8.212 -27.792 1.00 0.00 C ATOM 0 H LEU A 124 11.185 -8.965 -29.217 1.00 0.00 H new ATOM 0 HA LEU A 124 13.304 -8.803 -31.077 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.305 -7.722 -28.839 1.00 0.00 H new ATOM 0 HB3 LEU A 124 13.287 -9.292 -28.060 1.00 0.00 H new ATOM 0 HG LEU A 124 15.468 -9.866 -29.139 1.00 0.00 H new ATOM 0 HD11 LEU A 124 16.711 -8.089 -30.348 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.183 -8.475 -31.175 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.312 -7.001 -30.187 1.00 0.00 H new ATOM 0 HD21 LEU A 124 16.862 -8.259 -27.862 1.00 0.00 H new ATOM 0 HD22 LEU A 124 15.462 -7.172 -27.703 1.00 0.00 H new ATOM 0 HD23 LEU A 124 15.443 -8.767 -26.915 1.00 0.00 H new ATOM 763 N ALA A 125 12.895 -11.708 -29.563 1.00 0.00 N ATOM 764 CA ALA A 125 13.264 -13.117 -29.623 1.00 0.00 C ATOM 765 C ALA A 125 12.918 -13.697 -30.989 1.00 0.00 C ATOM 766 O ALA A 125 13.552 -14.644 -31.454 1.00 0.00 O ATOM 767 CB ALA A 125 12.532 -13.897 -28.529 1.00 0.00 C ATOM 0 H ALA A 125 12.183 -11.484 -28.867 1.00 0.00 H new ATOM 0 HA ALA A 125 14.339 -13.202 -29.466 1.00 0.00 H new ATOM 0 HB1 ALA A 125 12.814 -14.949 -28.581 1.00 0.00 H new ATOM 0 HB2 ALA A 125 12.804 -13.497 -27.552 1.00 0.00 H new ATOM 0 HB3 ALA A 125 11.456 -13.802 -28.673 1.00 0.00 H new ATOM 773 N ASN A 126 11.899 -13.123 -31.625 1.00 0.00 N ATOM 774 CA ASN A 126 11.467 -13.593 -32.941 1.00 0.00 C ATOM 775 C ASN A 126 12.415 -13.096 -34.025 1.00 0.00 C ATOM 776 O ASN A 126 12.820 -13.852 -34.903 1.00 0.00 O ATOM 777 CB ASN A 126 10.050 -13.106 -33.229 1.00 0.00 C ATOM 778 CG ASN A 126 9.058 -13.822 -32.320 1.00 0.00 C ATOM 779 OD1 ASN A 126 9.376 -14.868 -31.755 1.00 0.00 O ATOM 780 ND2 ASN A 126 7.865 -13.321 -32.149 1.00 0.00 N ATOM 0 H ASN A 126 11.361 -12.339 -31.256 1.00 0.00 H new ATOM 0 HA ASN A 126 11.479 -14.683 -32.940 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.988 -12.029 -33.072 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.798 -13.291 -34.273 1.00 0.00 H new ATOM 0 HD21 ASN A 126 7.194 -13.797 -31.546 1.00 0.00 H new ATOM 0 HD22 ASN A 126 7.604 -12.454 -32.618 1.00 0.00 H new ATOM 787 N TYR A 127 12.774 -11.820 -33.945 1.00 0.00 N ATOM 788 CA TYR A 127 13.691 -11.230 -34.911 1.00 0.00 C ATOM 789 C TYR A 127 15.043 -11.926 -34.865 1.00 0.00 C ATOM 790 O TYR A 127 15.611 -12.271 -35.901 1.00 0.00 O ATOM 791 CB TYR A 127 13.866 -9.736 -34.628 1.00 0.00 C ATOM 792 CG TYR A 127 15.144 -9.249 -35.270 1.00 0.00 C ATOM 793 CD1 TYR A 127 15.234 -9.115 -36.660 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.243 -8.932 -34.463 1.00 0.00 C ATOM 795 CE1 TYR A 127 16.425 -8.665 -37.242 1.00 0.00 C ATOM 796 CE2 TYR A 127 17.433 -8.481 -35.045 1.00 0.00 C ATOM 797 CZ TYR A 127 17.524 -8.347 -36.435 1.00 0.00 C ATOM 798 OH TYR A 127 18.699 -7.905 -37.009 1.00 0.00 O ATOM 0 H TYR A 127 12.445 -11.177 -33.224 1.00 0.00 H new ATOM 0 HA TYR A 127 13.267 -11.359 -35.907 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.015 -9.179 -35.019 1.00 0.00 H new ATOM 0 HB3 TYR A 127 13.896 -9.560 -33.553 1.00 0.00 H new ATOM 0 HD1 TYR A 127 14.386 -9.358 -37.283 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.172 -9.036 -33.390 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.496 -8.563 -38.315 1.00 0.00 H new ATOM 0 HE2 TYR A 127 18.281 -8.237 -34.422 1.00 0.00 H new ATOM 0 HH TYR A 127 19.360 -7.728 -36.307 1.00 0.00 H new ATOM 808 N LEU A 128 15.565 -12.111 -33.659 1.00 0.00 N ATOM 809 CA LEU A 128 16.864 -12.750 -33.498 1.00 0.00 C ATOM 810 C LEU A 128 16.835 -14.178 -34.032 1.00 0.00 C ATOM 811 O LEU A 128 17.736 -14.598 -34.757 1.00 0.00 O ATOM 812 CB LEU A 128 17.237 -12.775 -32.011 1.00 0.00 C ATOM 813 CG LEU A 128 17.455 -11.345 -31.512 1.00 0.00 C ATOM 814 CD1 LEU A 128 17.702 -11.361 -30.002 1.00 0.00 C ATOM 815 CD2 LEU A 128 18.657 -10.722 -32.218 1.00 0.00 C ATOM 0 H LEU A 128 15.115 -11.831 -32.788 1.00 0.00 H new ATOM 0 HA LEU A 128 17.603 -12.181 -34.062 1.00 0.00 H new ATOM 0 HB2 LEU A 128 16.446 -13.255 -31.435 1.00 0.00 H new ATOM 0 HB3 LEU A 128 18.142 -13.365 -31.863 1.00 0.00 H new ATOM 0 HG LEU A 128 16.566 -10.753 -31.731 1.00 0.00 H new ATOM 0 HD11 LEU A 128 17.857 -10.342 -29.648 1.00 0.00 H new ATOM 0 HD12 LEU A 128 16.838 -11.793 -29.497 1.00 0.00 H new ATOM 0 HD13 LEU A 128 18.587 -11.959 -29.784 1.00 0.00 H new ATOM 0 HD21 LEU A 128 18.804 -9.704 -31.856 1.00 0.00 H new ATOM 0 HD22 LEU A 128 19.548 -11.314 -32.009 1.00 0.00 H new ATOM 0 HD23 LEU A 128 18.478 -10.703 -33.293 1.00 0.00 H new ATOM 827 N HIS A 129 15.793 -14.913 -33.678 1.00 0.00 N ATOM 828 CA HIS A 129 15.648 -16.291 -34.130 1.00 0.00 C ATOM 829 C HIS A 129 15.387 -16.338 -35.634 1.00 0.00 C ATOM 830 O HIS A 129 15.724 -17.315 -36.303 1.00 0.00 O ATOM 831 CB HIS A 129 14.496 -16.974 -33.388 1.00 0.00 C ATOM 832 CG HIS A 129 14.410 -18.415 -33.814 1.00 0.00 C ATOM 833 ND1 HIS A 129 15.337 -19.363 -33.408 1.00 0.00 N ATOM 834 CD2 HIS A 129 13.514 -19.085 -34.610 1.00 0.00 C ATOM 835 CE1 HIS A 129 14.980 -20.540 -33.956 1.00 0.00 C ATOM 836 NE2 HIS A 129 13.875 -20.426 -34.697 1.00 0.00 N ATOM 0 H HIS A 129 15.036 -14.581 -33.081 1.00 0.00 H new ATOM 0 HA HIS A 129 16.577 -16.819 -33.916 1.00 0.00 H new ATOM 0 HB2 HIS A 129 14.654 -16.911 -32.311 1.00 0.00 H new ATOM 0 HB3 HIS A 129 13.557 -16.463 -33.603 1.00 0.00 H new ATOM 0 HD2 HIS A 129 12.659 -18.639 -35.095 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.521 -21.464 -33.814 1.00 0.00 H new ATOM 0 HE2 HIS A 129 13.398 -21.164 -35.215 1.00 0.00 H new ATOM 845 N LYS A 130 14.777 -15.279 -36.153 1.00 0.00 N ATOM 846 CA LYS A 130 14.467 -15.206 -37.575 1.00 0.00 C ATOM 847 C LYS A 130 15.744 -15.215 -38.411 1.00 0.00 C ATOM 848 O LYS A 130 15.829 -15.908 -39.425 1.00 0.00 O ATOM 849 CB LYS A 130 13.666 -13.936 -37.873 1.00 0.00 C ATOM 850 CG LYS A 130 13.269 -13.914 -39.352 1.00 0.00 C ATOM 851 CD LYS A 130 12.418 -12.676 -39.634 1.00 0.00 C ATOM 852 CE LYS A 130 12.012 -12.662 -41.108 1.00 0.00 C ATOM 853 NZ LYS A 130 11.158 -11.472 -41.377 1.00 0.00 N ATOM 0 H LYS A 130 14.489 -14.463 -35.613 1.00 0.00 H new ATOM 0 HA LYS A 130 13.872 -16.081 -37.839 1.00 0.00 H new ATOM 0 HB2 LYS A 130 12.775 -13.901 -37.246 1.00 0.00 H new ATOM 0 HB3 LYS A 130 14.260 -13.054 -37.632 1.00 0.00 H new ATOM 0 HG2 LYS A 130 14.161 -13.906 -39.979 1.00 0.00 H new ATOM 0 HG3 LYS A 130 12.711 -14.816 -39.603 1.00 0.00 H new ATOM 0 HD2 LYS A 130 11.530 -12.680 -39.001 1.00 0.00 H new ATOM 0 HD3 LYS A 130 12.979 -11.773 -39.391 1.00 0.00 H new ATOM 0 HE2 LYS A 130 12.899 -12.636 -41.740 1.00 0.00 H new ATOM 0 HE3 LYS A 130 11.470 -13.575 -41.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 10.882 -11.462 -42.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 10.305 -11.515 -40.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 11.690 -10.606 -41.156 1.00 0.00 H new ATOM 867 N ASN A 131 16.731 -14.436 -37.981 1.00 0.00 N ATOM 868 CA ASN A 131 17.995 -14.355 -38.705 1.00 0.00 C ATOM 869 C ASN A 131 18.891 -15.537 -38.354 1.00 0.00 C ATOM 870 O ASN A 131 19.921 -15.760 -38.991 1.00 0.00 O ATOM 871 CB ASN A 131 18.711 -13.049 -38.356 1.00 0.00 C ATOM 872 CG ASN A 131 17.959 -11.864 -38.953 1.00 0.00 C ATOM 873 OD1 ASN A 131 17.167 -12.033 -39.881 1.00 0.00 O ATOM 874 ND2 ASN A 131 18.162 -10.666 -38.476 1.00 0.00 N ATOM 0 H ASN A 131 16.682 -13.857 -37.143 1.00 0.00 H new ATOM 0 HA ASN A 131 17.783 -14.380 -39.774 1.00 0.00 H new ATOM 0 HB2 ASN A 131 18.778 -12.940 -37.274 1.00 0.00 H new ATOM 0 HB3 ASN A 131 19.732 -13.072 -38.737 1.00 0.00 H new ATOM 0 HD21 ASN A 131 17.664 -9.868 -38.872 1.00 0.00 H new ATOM 0 HD22 ASN A 131 18.818 -10.528 -37.707 1.00 0.00 H new ATOM 881 N GLY A 132 18.491 -16.293 -37.340 1.00 0.00 N ATOM 882 CA GLY A 132 19.262 -17.453 -36.910 1.00 0.00 C ATOM 883 C GLY A 132 20.284 -17.064 -35.850 1.00 0.00 C ATOM 884 O GLY A 132 20.898 -17.927 -35.220 1.00 0.00 O ATOM 0 H GLY A 132 17.641 -16.125 -36.802 1.00 0.00 H new ATOM 0 HA2 GLY A 132 18.591 -18.214 -36.512 1.00 0.00 H new ATOM 0 HA3 GLY A 132 19.771 -17.894 -37.767 1.00 0.00 H new ATOM 888 N GLU A 133 20.459 -15.761 -35.650 1.00 0.00 N ATOM 889 CA GLU A 133 21.409 -15.274 -34.656 1.00 0.00 C ATOM 890 C GLU A 133 20.694 -15.004 -33.339 1.00 0.00 C ATOM 891 O GLU A 133 19.795 -14.169 -33.279 1.00 0.00 O ATOM 892 CB GLU A 133 22.071 -13.987 -35.153 1.00 0.00 C ATOM 893 CG GLU A 133 23.148 -13.549 -34.159 1.00 0.00 C ATOM 894 CD GLU A 133 23.839 -12.288 -34.661 1.00 0.00 C ATOM 895 OE1 GLU A 133 23.494 -11.837 -35.741 1.00 0.00 O ATOM 896 OE2 GLU A 133 24.701 -11.788 -33.957 1.00 0.00 O ATOM 0 H GLU A 133 19.961 -15.030 -36.158 1.00 0.00 H new ATOM 0 HA GLU A 133 22.174 -16.035 -34.499 1.00 0.00 H new ATOM 0 HB2 GLU A 133 22.513 -14.149 -36.136 1.00 0.00 H new ATOM 0 HB3 GLU A 133 21.324 -13.201 -35.265 1.00 0.00 H new ATOM 0 HG2 GLU A 133 22.700 -13.364 -33.183 1.00 0.00 H new ATOM 0 HG3 GLU A 133 23.879 -14.347 -34.028 1.00 0.00 H new ATOM 903 N THR A 134 21.095 -15.721 -32.293 1.00 0.00 N ATOM 904 CA THR A 134 20.483 -15.557 -30.978 1.00 0.00 C ATOM 905 C THR A 134 21.543 -15.255 -29.925 1.00 0.00 C ATOM 906 O THR A 134 21.363 -15.565 -28.746 1.00 0.00 O ATOM 907 CB THR A 134 19.720 -16.828 -30.598 1.00 0.00 C ATOM 908 OG1 THR A 134 20.634 -17.907 -30.462 1.00 0.00 O ATOM 909 CG2 THR A 134 18.704 -17.159 -31.693 1.00 0.00 C ATOM 0 H THR A 134 21.838 -16.419 -32.330 1.00 0.00 H new ATOM 0 HA THR A 134 19.789 -14.718 -31.021 1.00 0.00 H new ATOM 0 HB THR A 134 19.200 -16.670 -29.653 1.00 0.00 H new ATOM 0 HG1 THR A 134 20.146 -18.721 -30.217 1.00 0.00 H new ATOM 0 HG21 THR A 134 18.160 -18.064 -31.423 1.00 0.00 H new ATOM 0 HG22 THR A 134 18.002 -16.332 -31.800 1.00 0.00 H new ATOM 0 HG23 THR A 134 19.225 -17.317 -32.637 1.00 0.00 H new ATOM 917 N SER A 135 22.657 -14.666 -30.355 1.00 0.00 N ATOM 918 CA SER A 135 23.738 -14.349 -29.428 1.00 0.00 C ATOM 919 C SER A 135 23.248 -13.404 -28.335 1.00 0.00 C ATOM 920 O SER A 135 23.411 -13.679 -27.146 1.00 0.00 O ATOM 921 CB SER A 135 24.888 -13.690 -30.193 1.00 0.00 C ATOM 922 OG SER A 135 24.420 -12.493 -30.802 1.00 0.00 O ATOM 0 H SER A 135 22.833 -14.402 -31.325 1.00 0.00 H new ATOM 0 HA SER A 135 24.083 -15.273 -28.963 1.00 0.00 H new ATOM 0 HB2 SER A 135 25.712 -13.469 -29.515 1.00 0.00 H new ATOM 0 HB3 SER A 135 25.274 -14.371 -30.951 1.00 0.00 H new ATOM 0 HG SER A 135 24.608 -12.520 -31.763 1.00 0.00 H new ATOM 928 N LEU A 136 22.638 -12.298 -28.743 1.00 0.00 N ATOM 929 CA LEU A 136 22.122 -11.327 -27.785 1.00 0.00 C ATOM 930 C LEU A 136 20.854 -11.854 -27.139 1.00 0.00 C ATOM 931 O LEU A 136 20.038 -12.504 -27.795 1.00 0.00 O ATOM 932 CB LEU A 136 21.828 -9.998 -28.485 1.00 0.00 C ATOM 933 CG LEU A 136 23.121 -9.437 -29.083 1.00 0.00 C ATOM 934 CD1 LEU A 136 22.814 -8.149 -29.847 1.00 0.00 C ATOM 935 CD2 LEU A 136 24.120 -9.136 -27.960 1.00 0.00 C ATOM 0 H LEU A 136 22.489 -12.052 -29.722 1.00 0.00 H new ATOM 0 HA LEU A 136 22.876 -11.165 -27.015 1.00 0.00 H new ATOM 0 HB2 LEU A 136 21.086 -10.145 -29.270 1.00 0.00 H new ATOM 0 HB3 LEU A 136 21.405 -9.287 -27.775 1.00 0.00 H new ATOM 0 HG LEU A 136 23.551 -10.172 -29.764 1.00 0.00 H new ATOM 0 HD11 LEU A 136 23.735 -7.750 -30.272 1.00 0.00 H new ATOM 0 HD12 LEU A 136 22.106 -8.361 -30.648 1.00 0.00 H new ATOM 0 HD13 LEU A 136 22.382 -7.416 -29.166 1.00 0.00 H new ATOM 0 HD21 LEU A 136 25.039 -8.737 -28.388 1.00 0.00 H new ATOM 0 HD22 LEU A 136 23.690 -8.403 -27.277 1.00 0.00 H new ATOM 0 HD23 LEU A 136 24.342 -10.053 -27.415 1.00 0.00 H new ATOM 947 N LYS A 137 20.699 -11.572 -25.846 1.00 0.00 N ATOM 948 CA LYS A 137 19.530 -12.030 -25.121 1.00 0.00 C ATOM 949 C LYS A 137 18.571 -10.874 -24.834 1.00 0.00 C ATOM 950 O LYS A 137 18.966 -9.707 -24.868 1.00 0.00 O ATOM 951 CB LYS A 137 19.940 -12.682 -23.799 1.00 0.00 C ATOM 952 CG LYS A 137 19.882 -14.206 -23.934 1.00 0.00 C ATOM 953 CD LYS A 137 20.287 -14.852 -22.608 1.00 0.00 C ATOM 954 CE LYS A 137 20.223 -16.375 -22.743 1.00 0.00 C ATOM 955 NZ LYS A 137 18.826 -16.786 -23.057 1.00 0.00 N ATOM 0 H LYS A 137 21.364 -11.034 -25.290 1.00 0.00 H new ATOM 0 HA LYS A 137 19.022 -12.763 -25.747 1.00 0.00 H new ATOM 0 HB2 LYS A 137 20.948 -12.370 -23.526 1.00 0.00 H new ATOM 0 HB3 LYS A 137 19.277 -12.353 -22.999 1.00 0.00 H new ATOM 0 HG2 LYS A 137 18.875 -14.519 -24.211 1.00 0.00 H new ATOM 0 HG3 LYS A 137 20.549 -14.537 -24.730 1.00 0.00 H new ATOM 0 HD2 LYS A 137 21.295 -14.542 -22.333 1.00 0.00 H new ATOM 0 HD3 LYS A 137 19.623 -14.518 -21.811 1.00 0.00 H new ATOM 0 HE2 LYS A 137 20.898 -16.710 -23.531 1.00 0.00 H new ATOM 0 HE3 LYS A 137 20.553 -16.847 -21.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 18.698 -17.791 -22.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 18.162 -16.212 -22.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 18.642 -16.643 -24.071 1.00 0.00 H new ATOM 969 N PRO A 138 17.333 -11.177 -24.530 1.00 0.00 N ATOM 970 CA PRO A 138 16.307 -10.140 -24.202 1.00 0.00 C ATOM 971 C PRO A 138 16.760 -9.232 -23.054 1.00 0.00 C ATOM 972 O PRO A 138 16.385 -8.064 -22.986 1.00 0.00 O ATOM 973 CB PRO A 138 15.081 -10.960 -23.785 1.00 0.00 C ATOM 974 CG PRO A 138 15.267 -12.295 -24.413 1.00 0.00 C ATOM 975 CD PRO A 138 16.762 -12.538 -24.475 1.00 0.00 C ATOM 0 HA PRO A 138 16.116 -9.473 -25.043 1.00 0.00 H new ATOM 0 HB2 PRO A 138 15.014 -11.042 -22.700 1.00 0.00 H new ATOM 0 HB3 PRO A 138 14.159 -10.490 -24.127 1.00 0.00 H new ATOM 0 HG2 PRO A 138 14.772 -13.071 -23.829 1.00 0.00 H new ATOM 0 HG3 PRO A 138 14.829 -12.319 -25.411 1.00 0.00 H new ATOM 0 HD2 PRO A 138 17.116 -13.086 -23.602 1.00 0.00 H new ATOM 0 HD3 PRO A 138 17.037 -13.124 -25.352 1.00 0.00 H new ATOM 983 N GLU A 139 17.569 -9.782 -22.156 1.00 0.00 N ATOM 984 CA GLU A 139 18.073 -9.020 -21.018 1.00 0.00 C ATOM 985 C GLU A 139 19.125 -8.012 -21.473 1.00 0.00 C ATOM 986 O GLU A 139 19.586 -7.185 -20.687 1.00 0.00 O ATOM 987 CB GLU A 139 18.682 -9.963 -19.979 1.00 0.00 C ATOM 988 CG GLU A 139 17.568 -10.758 -19.297 1.00 0.00 C ATOM 989 CD GLU A 139 18.171 -11.847 -18.416 1.00 0.00 C ATOM 990 OE1 GLU A 139 19.361 -12.086 -18.534 1.00 0.00 O ATOM 991 OE2 GLU A 139 17.432 -12.428 -17.637 1.00 0.00 O ATOM 0 H GLU A 139 17.890 -10.750 -22.193 1.00 0.00 H new ATOM 0 HA GLU A 139 17.238 -8.482 -20.569 1.00 0.00 H new ATOM 0 HB2 GLU A 139 19.387 -10.642 -20.458 1.00 0.00 H new ATOM 0 HB3 GLU A 139 19.242 -9.392 -19.238 1.00 0.00 H new ATOM 0 HG2 GLU A 139 16.950 -10.092 -18.695 1.00 0.00 H new ATOM 0 HG3 GLU A 139 16.916 -11.205 -20.048 1.00 0.00 H new ATOM 998 N ASP A 140 19.501 -8.091 -22.745 1.00 0.00 N ATOM 999 CA ASP A 140 20.498 -7.180 -23.294 1.00 0.00 C ATOM 1000 C ASP A 140 19.925 -5.775 -23.453 1.00 0.00 C ATOM 1001 O ASP A 140 20.641 -4.785 -23.320 1.00 0.00 O ATOM 1002 CB ASP A 140 20.978 -7.691 -24.652 1.00 0.00 C ATOM 1003 CG ASP A 140 22.242 -6.949 -25.073 1.00 0.00 C ATOM 1004 OD1 ASP A 140 22.884 -6.373 -24.210 1.00 0.00 O ATOM 1005 OD2 ASP A 140 22.546 -6.963 -26.254 1.00 0.00 O ATOM 0 H ASP A 140 19.134 -8.771 -23.411 1.00 0.00 H new ATOM 0 HA ASP A 140 21.337 -7.137 -22.600 1.00 0.00 H new ATOM 0 HB2 ASP A 140 21.176 -8.761 -24.597 1.00 0.00 H new ATOM 0 HB3 ASP A 140 20.197 -7.549 -25.399 1.00 0.00 H new ATOM 1010 N PHE A 141 18.631 -5.695 -23.745 1.00 0.00 N ATOM 1011 CA PHE A 141 17.979 -4.403 -23.927 1.00 0.00 C ATOM 1012 C PHE A 141 17.198 -4.017 -22.678 1.00 0.00 C ATOM 1013 O PHE A 141 16.397 -4.805 -22.172 1.00 0.00 O ATOM 1014 CB PHE A 141 17.028 -4.460 -25.124 1.00 0.00 C ATOM 1015 CG PHE A 141 15.740 -5.135 -24.712 1.00 0.00 C ATOM 1016 CD1 PHE A 141 14.711 -4.381 -24.138 1.00 0.00 C ATOM 1017 CD2 PHE A 141 15.576 -6.511 -24.907 1.00 0.00 C ATOM 1018 CE1 PHE A 141 13.516 -5.003 -23.756 1.00 0.00 C ATOM 1019 CE2 PHE A 141 14.379 -7.132 -24.526 1.00 0.00 C ATOM 1020 CZ PHE A 141 13.350 -6.378 -23.949 1.00 0.00 C ATOM 0 H PHE A 141 18.018 -6.502 -23.860 1.00 0.00 H new ATOM 0 HA PHE A 141 18.749 -3.653 -24.109 1.00 0.00 H new ATOM 0 HB2 PHE A 141 16.823 -3.453 -25.488 1.00 0.00 H new ATOM 0 HB3 PHE A 141 17.492 -5.007 -25.945 1.00 0.00 H new ATOM 0 HD1 PHE A 141 14.838 -3.319 -23.989 1.00 0.00 H new ATOM 0 HD2 PHE A 141 16.370 -7.093 -25.350 1.00 0.00 H new ATOM 0 HE1 PHE A 141 12.722 -4.421 -23.312 1.00 0.00 H new ATOM 0 HE2 PHE A 141 14.250 -8.193 -24.678 1.00 0.00 H new ATOM 0 HZ PHE A 141 12.429 -6.858 -23.653 1.00 0.00 H new ATOM 1030 N ASP A 142 17.431 -2.802 -22.190 1.00 0.00 N ATOM 1031 CA ASP A 142 16.739 -2.317 -21.000 1.00 0.00 C ATOM 1032 C ASP A 142 15.758 -1.207 -21.364 1.00 0.00 C ATOM 1033 O ASP A 142 16.112 -0.258 -22.064 1.00 0.00 O ATOM 1034 CB ASP A 142 17.754 -1.791 -19.986 1.00 0.00 C ATOM 1035 CG ASP A 142 18.831 -2.842 -19.734 1.00 0.00 C ATOM 1036 OD1 ASP A 142 18.644 -3.651 -18.840 1.00 0.00 O ATOM 1037 OD2 ASP A 142 19.826 -2.821 -20.439 1.00 0.00 O ATOM 0 H ASP A 142 18.090 -2.138 -22.597 1.00 0.00 H new ATOM 0 HA ASP A 142 16.184 -3.146 -20.562 1.00 0.00 H new ATOM 0 HB2 ASP A 142 18.210 -0.873 -20.358 1.00 0.00 H new ATOM 0 HB3 ASP A 142 17.251 -1.542 -19.051 1.00 0.00 H new ATOM 1042 N PHE A 143 14.524 -1.334 -20.888 1.00 0.00 N ATOM 1043 CA PHE A 143 13.502 -0.333 -21.170 1.00 0.00 C ATOM 1044 C PHE A 143 13.639 0.852 -20.218 1.00 0.00 C ATOM 1045 O PHE A 143 13.045 1.908 -20.438 1.00 0.00 O ATOM 1046 CB PHE A 143 12.110 -0.949 -21.022 1.00 0.00 C ATOM 1047 CG PHE A 143 11.766 -1.073 -19.557 1.00 0.00 C ATOM 1048 CD1 PHE A 143 12.164 -2.202 -18.834 1.00 0.00 C ATOM 1049 CD2 PHE A 143 11.046 -0.053 -18.922 1.00 0.00 C ATOM 1050 CE1 PHE A 143 11.844 -2.314 -17.477 1.00 0.00 C ATOM 1051 CE2 PHE A 143 10.725 -0.164 -17.564 1.00 0.00 C ATOM 1052 CZ PHE A 143 11.124 -1.295 -16.841 1.00 0.00 C ATOM 0 H PHE A 143 14.209 -2.113 -20.310 1.00 0.00 H new ATOM 0 HA PHE A 143 13.636 0.017 -22.193 1.00 0.00 H new ATOM 0 HB2 PHE A 143 11.371 -0.329 -21.529 1.00 0.00 H new ATOM 0 HB3 PHE A 143 12.083 -1.930 -21.497 1.00 0.00 H new ATOM 0 HD1 PHE A 143 12.719 -2.988 -19.324 1.00 0.00 H new ATOM 0 HD2 PHE A 143 10.739 0.819 -19.480 1.00 0.00 H new ATOM 0 HE1 PHE A 143 12.152 -3.186 -16.920 1.00 0.00 H new ATOM 0 HE2 PHE A 143 10.170 0.622 -17.074 1.00 0.00 H new ATOM 0 HZ PHE A 143 10.877 -1.381 -15.793 1.00 0.00 H new