USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 663 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 81 ASN : amide:sc= -9.7! K(o=-20!,f=-16) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -10! C(o=-20!,f=-19!) USER MOD Set 1.3: A 106 TYR OH : rot 150:sc= 0.0532 USER MOD Single : A 35 LYS NZ :NH3+ -174:sc= -2.95! (180deg=-3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= -0.175 (180deg=-1.27) USER MOD Single : A 47 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0676) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -3:sc= -5.96! USER MOD Single : A 53 SER OG : rot 130:sc= -1.41! USER MOD Single : A 56 THR OG1 : rot 151:sc= -2.71! USER MOD Single : A 59 GLN : amide:sc= -0.751 K(o=-0.75,f=-0.18) USER MOD Single : A 61 TYR OH : rot 0:sc= 0.289 USER MOD Single : A 66 LYS NZ :NH3+ -142:sc= -0.266 (180deg=-1.47!) USER MOD Single : A 69 HIS : no HD1:sc= -2 K(o=-2,f=-0.81) USER MOD Single : A 82 ASN : amide:sc=0.000502 X(o=0.0005,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0544 USER MOD Single : A 90 THR OG1 : rot 117:sc= -2.71! USER MOD Single : A 91 MET CE :methyl -150:sc= -4.93 (180deg=-10.1!) USER MOD Single : A 93 GLN : amide:sc= -0.43 K(o=-0.43,f=-4!) USER MOD Single : A 95 TYR OH : rot 180:sc= -1.87! USER MOD Single : A 96 GLN : amide:sc= -0.075 X(o=-0.075,f=0) USER MOD Single : A 99 HIS : no HE2:sc= -8.93! C(o=-8.9!,f=-14!) USER MOD Single : A 109 TYR OH : rot 30:sc= -1.55! USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N ARG A 28 3.179 14.639 0.732 1.00 0.00 N ATOM 178 CA ARG A 28 3.401 13.177 0.926 1.00 0.00 C ATOM 179 C ARG A 28 2.103 12.408 0.675 1.00 0.00 C ATOM 180 O ARG A 28 1.144 12.939 0.151 1.00 0.00 O ATOM 181 CB ARG A 28 3.840 13.026 2.383 1.00 0.00 C ATOM 182 CG ARG A 28 5.364 12.911 2.447 1.00 0.00 C ATOM 183 CD ARG A 28 5.997 14.219 1.966 1.00 0.00 C ATOM 184 NE ARG A 28 7.451 14.067 2.247 1.00 0.00 N ATOM 185 CZ ARG A 28 8.184 15.121 2.484 1.00 0.00 C ATOM 186 NH1 ARG A 28 7.922 16.247 1.877 1.00 0.00 N ATOM 187 NH2 ARG A 28 9.175 15.050 3.328 1.00 0.00 N ATOM 0 HA ARG A 28 4.145 12.780 0.236 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.505 13.884 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.379 12.142 2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.680 12.696 3.468 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.703 12.081 1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.815 14.379 0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.580 15.077 2.493 1.00 0.00 H new ATOM 0 HE ARG A 28 7.875 13.139 2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.145 16.303 1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.494 17.071 2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.378 14.171 3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.747 15.874 3.513 1.00 0.00 H new ATOM 199 N VAL A 29 2.067 11.160 1.047 1.00 0.00 N ATOM 200 CA VAL A 29 0.834 10.351 0.835 1.00 0.00 C ATOM 201 C VAL A 29 0.687 9.320 1.959 1.00 0.00 C ATOM 202 O VAL A 29 1.357 8.303 1.963 1.00 0.00 O ATOM 203 CB VAL A 29 1.039 9.658 -0.516 1.00 0.00 C ATOM 204 CG1 VAL A 29 0.064 8.487 -0.648 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.782 10.658 -1.647 1.00 0.00 C ATOM 0 H VAL A 29 2.840 10.663 1.490 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.070 10.959 0.841 1.00 0.00 H new ATOM 0 HB VAL A 29 2.062 9.288 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.213 7.996 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.243 7.772 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.959 8.857 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.928 10.165 -2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.241 11.028 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.476 11.494 -1.559 1.00 0.00 H new ATOM 215 N PRO A 30 -0.192 9.623 2.876 1.00 0.00 N ATOM 216 CA PRO A 30 -0.445 8.717 4.021 1.00 0.00 C ATOM 217 C PRO A 30 -1.235 7.488 3.559 1.00 0.00 C ATOM 218 O PRO A 30 -2.442 7.416 3.700 1.00 0.00 O ATOM 219 CB PRO A 30 -1.271 9.569 4.979 1.00 0.00 C ATOM 220 CG PRO A 30 -1.929 10.597 4.114 1.00 0.00 C ATOM 221 CD PRO A 30 -1.022 10.830 2.932 1.00 0.00 C ATOM 0 HA PRO A 30 0.468 8.338 4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.010 8.966 5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.641 10.035 5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.909 10.253 3.785 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.086 11.523 4.668 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.592 10.965 2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.415 11.726 3.065 1.00 0.00 H new ATOM 229 N VAL A 31 -0.560 6.527 2.995 1.00 0.00 N ATOM 230 CA VAL A 31 -1.253 5.307 2.511 1.00 0.00 C ATOM 231 C VAL A 31 -1.594 4.378 3.681 1.00 0.00 C ATOM 232 O VAL A 31 -0.913 4.351 4.687 1.00 0.00 O ATOM 233 CB VAL A 31 -0.251 4.638 1.564 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.447 5.694 0.705 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.801 3.858 2.362 1.00 0.00 C ATOM 0 H VAL A 31 0.449 6.537 2.849 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.196 5.539 2.016 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.796 3.948 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.157 5.208 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.295 6.233 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.978 6.395 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.505 3.389 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.337 4.541 3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.309 3.089 2.958 1.00 0.00 H new ATOM 245 N ILE A 32 -2.627 3.596 3.542 1.00 0.00 N ATOM 246 CA ILE A 32 -2.990 2.643 4.630 1.00 0.00 C ATOM 247 C ILE A 32 -2.653 1.228 4.158 1.00 0.00 C ATOM 248 O ILE A 32 -2.434 0.998 2.985 1.00 0.00 O ATOM 249 CB ILE A 32 -4.500 2.823 4.862 1.00 0.00 C ATOM 250 CG1 ILE A 32 -4.728 3.859 5.968 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.137 1.495 5.289 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.031 5.172 5.603 1.00 0.00 C ATOM 0 H ILE A 32 -3.236 3.574 2.724 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.448 2.820 5.559 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.957 3.159 3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.796 4.030 6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.342 3.483 6.916 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.205 1.639 5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.984 0.750 4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.675 1.150 6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.197 5.904 6.393 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.961 4.997 5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.438 5.552 4.666 1.00 0.00 H new ATOM 264 N VAL A 33 -2.591 0.280 5.046 1.00 0.00 N ATOM 265 CA VAL A 33 -2.246 -1.098 4.610 1.00 0.00 C ATOM 266 C VAL A 33 -3.153 -2.133 5.284 1.00 0.00 C ATOM 267 O VAL A 33 -3.425 -2.073 6.467 1.00 0.00 O ATOM 268 CB VAL A 33 -0.780 -1.266 5.023 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.463 -2.739 5.290 1.00 0.00 C ATOM 270 CG2 VAL A 33 0.115 -0.758 3.890 1.00 0.00 C ATOM 0 H VAL A 33 -2.762 0.397 6.045 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.388 -1.250 3.540 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.600 -0.697 5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.582 -2.839 5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.101 -3.109 6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.644 -3.320 4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.161 -0.873 4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.081 -1.334 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.097 0.295 3.703 1.00 0.00 H new ATOM 280 N GLU A 34 -3.613 -3.083 4.521 1.00 0.00 N ATOM 281 CA GLU A 34 -4.500 -4.147 5.071 1.00 0.00 C ATOM 282 C GLU A 34 -4.408 -5.402 4.195 1.00 0.00 C ATOM 283 O GLU A 34 -3.637 -5.462 3.253 1.00 0.00 O ATOM 284 CB GLU A 34 -5.909 -3.557 5.018 1.00 0.00 C ATOM 285 CG GLU A 34 -6.455 -3.410 6.440 1.00 0.00 C ATOM 286 CD GLU A 34 -7.957 -3.705 6.443 1.00 0.00 C ATOM 287 OE1 GLU A 34 -8.534 -3.752 5.370 1.00 0.00 O ATOM 288 OE2 GLU A 34 -8.503 -3.878 7.521 1.00 0.00 O ATOM 0 H GLU A 34 -3.410 -3.170 3.525 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.223 -4.439 6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.890 -2.586 4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.563 -4.202 4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.938 -4.095 7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.271 -2.401 6.809 1.00 0.00 H new ATOM 295 N LYS A 35 -5.183 -6.407 4.493 1.00 0.00 N ATOM 296 CA LYS A 35 -5.127 -7.652 3.675 1.00 0.00 C ATOM 297 C LYS A 35 -6.448 -7.878 2.940 1.00 0.00 C ATOM 298 O LYS A 35 -7.483 -7.369 3.323 1.00 0.00 O ATOM 299 CB LYS A 35 -4.889 -8.778 4.678 1.00 0.00 C ATOM 300 CG LYS A 35 -3.657 -9.581 4.263 1.00 0.00 C ATOM 301 CD LYS A 35 -2.426 -8.671 4.273 1.00 0.00 C ATOM 302 CE LYS A 35 -2.247 -8.068 5.669 1.00 0.00 C ATOM 303 NZ LYS A 35 -2.129 -9.238 6.582 1.00 0.00 N ATOM 0 H LYS A 35 -5.850 -6.421 5.264 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.346 -7.599 2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.747 -8.365 5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.762 -9.429 4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.509 -10.418 4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.803 -10.002 3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.539 -9.239 3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.541 -7.877 3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.358 -7.439 5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.096 -7.440 5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.106 -8.908 7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.946 -9.868 6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.253 -9.757 6.370 1.00 0.00 H new ATOM 317 N ALA A 36 -6.417 -8.655 1.895 1.00 0.00 N ATOM 318 CA ALA A 36 -7.670 -8.938 1.138 1.00 0.00 C ATOM 319 C ALA A 36 -8.638 -9.714 2.038 1.00 0.00 C ATOM 320 O ALA A 36 -8.372 -9.894 3.209 1.00 0.00 O ATOM 321 CB ALA A 36 -7.228 -9.789 -0.054 1.00 0.00 C ATOM 0 H ALA A 36 -5.578 -9.107 1.531 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.185 -8.035 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.096 -10.040 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.512 -9.229 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.760 -10.705 0.307 1.00 0.00 H new ATOM 327 N PRO A 37 -9.729 -10.155 1.471 1.00 0.00 N ATOM 328 CA PRO A 37 -10.721 -10.919 2.262 1.00 0.00 C ATOM 329 C PRO A 37 -10.175 -12.312 2.580 1.00 0.00 C ATOM 330 O PRO A 37 -10.085 -13.166 1.721 1.00 0.00 O ATOM 331 CB PRO A 37 -11.937 -10.994 1.343 1.00 0.00 C ATOM 332 CG PRO A 37 -11.389 -10.839 -0.039 1.00 0.00 C ATOM 333 CD PRO A 37 -10.144 -9.995 0.070 1.00 0.00 C ATOM 0 HA PRO A 37 -10.959 -10.460 3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.459 -11.944 1.456 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.655 -10.207 1.573 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.158 -11.812 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.121 -10.364 -0.692 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.369 -10.335 -0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.347 -8.951 -0.170 1.00 0.00 H new ATOM 341 N LYS A 38 -9.804 -12.544 3.810 1.00 0.00 N ATOM 342 CA LYS A 38 -9.258 -13.877 4.185 1.00 0.00 C ATOM 343 C LYS A 38 -7.958 -14.150 3.422 1.00 0.00 C ATOM 344 O LYS A 38 -7.726 -15.243 2.946 1.00 0.00 O ATOM 345 CB LYS A 38 -10.344 -14.869 3.781 1.00 0.00 C ATOM 346 CG LYS A 38 -10.929 -15.520 5.035 1.00 0.00 C ATOM 347 CD LYS A 38 -12.456 -15.529 4.942 1.00 0.00 C ATOM 348 CE LYS A 38 -13.050 -15.018 6.255 1.00 0.00 C ATOM 349 NZ LYS A 38 -13.987 -16.089 6.696 1.00 0.00 N ATOM 0 H LYS A 38 -9.856 -11.867 4.571 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.017 -13.947 5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.129 -14.359 3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.929 -15.631 3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.555 -16.539 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.612 -14.973 5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.784 -14.901 4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.813 -16.539 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.272 -14.843 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.572 -14.072 6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.435 -15.811 7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.720 -16.229 5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.461 -16.976 6.832 1.00 0.00 H new ATOM 363 N ALA A 39 -7.110 -13.163 3.302 1.00 0.00 N ATOM 364 CA ALA A 39 -5.827 -13.368 2.569 1.00 0.00 C ATOM 365 C ALA A 39 -4.971 -14.419 3.281 1.00 0.00 C ATOM 366 O ALA A 39 -5.346 -14.947 4.310 1.00 0.00 O ATOM 367 CB ALA A 39 -5.134 -12.005 2.599 1.00 0.00 C ATOM 0 H ALA A 39 -7.250 -12.226 3.679 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.986 -13.725 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.179 -12.071 2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.765 -11.265 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.964 -11.706 3.633 1.00 0.00 H new ATOM 373 N ARG A 40 -3.822 -14.727 2.742 1.00 0.00 N ATOM 374 CA ARG A 40 -2.943 -15.744 3.389 1.00 0.00 C ATOM 375 C ARG A 40 -1.470 -15.375 3.186 1.00 0.00 C ATOM 376 O ARG A 40 -0.616 -16.233 3.081 1.00 0.00 O ATOM 377 CB ARG A 40 -3.270 -17.059 2.680 1.00 0.00 C ATOM 378 CG ARG A 40 -2.960 -16.926 1.188 1.00 0.00 C ATOM 379 CD ARG A 40 -2.109 -18.113 0.734 1.00 0.00 C ATOM 380 NE ARG A 40 -2.822 -18.666 -0.451 1.00 0.00 N ATOM 381 CZ ARG A 40 -2.717 -19.933 -0.743 1.00 0.00 C ATOM 382 NH1 ARG A 40 -1.539 -20.465 -0.926 1.00 0.00 N ATOM 383 NH2 ARG A 40 -3.789 -20.669 -0.853 1.00 0.00 N ATOM 0 H ARG A 40 -3.454 -14.319 1.883 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.108 -15.809 4.464 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.687 -17.872 3.112 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.321 -17.310 2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.887 -16.890 0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.431 -15.992 0.998 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.098 -17.798 0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.018 -18.859 1.524 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.392 -18.054 -1.034 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.701 -19.890 -0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.457 -21.456 -1.154 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.710 -20.254 -0.711 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.706 -21.660 -1.081 1.00 0.00 H new ATOM 395 N ILE A 41 -1.168 -14.108 3.132 1.00 0.00 N ATOM 396 CA ILE A 41 0.256 -13.692 2.935 1.00 0.00 C ATOM 397 C ILE A 41 0.991 -13.628 4.282 1.00 0.00 C ATOM 398 O ILE A 41 0.463 -14.016 5.305 1.00 0.00 O ATOM 399 CB ILE A 41 0.234 -12.313 2.245 1.00 0.00 C ATOM 400 CG1 ILE A 41 -0.864 -11.397 2.815 1.00 0.00 C ATOM 401 CG2 ILE A 41 -0.017 -12.506 0.750 1.00 0.00 C ATOM 402 CD1 ILE A 41 -0.899 -11.479 4.342 1.00 0.00 C ATOM 0 H ILE A 41 -1.838 -13.344 3.215 1.00 0.00 H new ATOM 0 HA ILE A 41 0.791 -14.414 2.319 1.00 0.00 H new ATOM 0 HB ILE A 41 1.198 -11.838 2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.683 -10.368 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.833 -11.686 2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.034 -11.535 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.779 -13.117 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.975 -13.004 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.682 -10.824 4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.104 -12.505 4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.064 -11.166 4.745 1.00 0.00 H new ATOM 414 N GLY A 42 2.210 -13.159 4.287 1.00 0.00 N ATOM 415 CA GLY A 42 2.982 -13.091 5.564 1.00 0.00 C ATOM 416 C GLY A 42 2.358 -12.060 6.510 1.00 0.00 C ATOM 417 O GLY A 42 1.457 -11.335 6.148 1.00 0.00 O ATOM 0 H GLY A 42 2.706 -12.820 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.995 -14.071 6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.018 -12.824 5.356 1.00 0.00 H new ATOM 421 N ASP A 43 2.831 -11.995 7.726 1.00 0.00 N ATOM 422 CA ASP A 43 2.261 -11.015 8.698 1.00 0.00 C ATOM 423 C ASP A 43 2.715 -9.591 8.357 1.00 0.00 C ATOM 424 O ASP A 43 3.437 -9.368 7.407 1.00 0.00 O ATOM 425 CB ASP A 43 2.812 -11.441 10.059 1.00 0.00 C ATOM 426 CG ASP A 43 1.703 -11.357 11.109 1.00 0.00 C ATOM 427 OD1 ASP A 43 1.560 -10.305 11.709 1.00 0.00 O ATOM 428 OD2 ASP A 43 1.014 -12.347 11.294 1.00 0.00 O ATOM 0 H ASP A 43 3.586 -12.577 8.089 1.00 0.00 H new ATOM 0 HA ASP A 43 1.171 -11.009 8.680 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.199 -12.459 10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.645 -10.798 10.343 1.00 0.00 H new ATOM 433 N LEU A 44 2.283 -8.626 9.124 1.00 0.00 N ATOM 434 CA LEU A 44 2.669 -7.216 8.848 1.00 0.00 C ATOM 435 C LEU A 44 3.084 -6.504 10.142 1.00 0.00 C ATOM 436 O LEU A 44 2.418 -6.593 11.155 1.00 0.00 O ATOM 437 CB LEU A 44 1.398 -6.599 8.273 1.00 0.00 C ATOM 438 CG LEU A 44 0.381 -6.362 9.392 1.00 0.00 C ATOM 439 CD1 LEU A 44 0.455 -4.907 9.857 1.00 0.00 C ATOM 440 CD2 LEU A 44 -1.027 -6.653 8.866 1.00 0.00 C ATOM 0 H LEU A 44 1.676 -8.757 9.933 1.00 0.00 H new ATOM 0 HA LEU A 44 3.521 -7.134 8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.633 -5.657 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.973 -7.259 7.517 1.00 0.00 H new ATOM 0 HG LEU A 44 0.606 -7.022 10.230 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.271 -4.742 10.654 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.457 -4.695 10.229 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.231 -4.246 9.020 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.754 -6.485 9.661 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.246 -5.992 8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.085 -7.690 8.535 1.00 0.00 H new ATOM 452 N ASP A 45 4.184 -5.799 10.115 1.00 0.00 N ATOM 453 CA ASP A 45 4.645 -5.081 11.340 1.00 0.00 C ATOM 454 C ASP A 45 3.974 -3.707 11.430 1.00 0.00 C ATOM 455 O ASP A 45 3.893 -3.112 12.487 1.00 0.00 O ATOM 456 CB ASP A 45 6.158 -4.936 11.171 1.00 0.00 C ATOM 457 CG ASP A 45 6.455 -3.910 10.077 1.00 0.00 C ATOM 458 OD1 ASP A 45 5.808 -3.969 9.044 1.00 0.00 O ATOM 459 OD2 ASP A 45 7.325 -3.081 10.291 1.00 0.00 O ATOM 0 H ASP A 45 4.784 -5.689 9.297 1.00 0.00 H new ATOM 0 HA ASP A 45 4.391 -5.617 12.255 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.611 -4.622 12.111 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.599 -5.898 10.911 1.00 0.00 H new ATOM 464 N LYS A 46 3.486 -3.204 10.330 1.00 0.00 N ATOM 465 CA LYS A 46 2.810 -1.874 10.348 1.00 0.00 C ATOM 466 C LYS A 46 1.765 -1.811 9.229 1.00 0.00 C ATOM 467 O LYS A 46 1.871 -2.500 8.233 1.00 0.00 O ATOM 468 CB LYS A 46 3.924 -0.851 10.108 1.00 0.00 C ATOM 469 CG LYS A 46 4.318 -0.849 8.629 1.00 0.00 C ATOM 470 CD LYS A 46 5.838 -0.960 8.507 1.00 0.00 C ATOM 471 CE LYS A 46 6.497 0.255 9.166 1.00 0.00 C ATOM 472 NZ LYS A 46 6.014 1.426 8.384 1.00 0.00 N ATOM 0 H LYS A 46 3.526 -3.657 9.417 1.00 0.00 H new ATOM 0 HA LYS A 46 2.289 -1.684 11.287 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.588 0.142 10.405 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.790 -1.092 10.724 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.839 -1.681 8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.970 0.066 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.185 -1.877 8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.125 -1.017 7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.214 0.337 10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.584 0.180 9.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.722 2.187 8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.865 1.145 7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.117 1.766 8.786 1.00 0.00 H new ATOM 486 N LYS A 47 0.751 -1.000 9.381 1.00 0.00 N ATOM 487 CA LYS A 47 -0.291 -0.918 8.317 1.00 0.00 C ATOM 488 C LYS A 47 -0.524 0.538 7.908 1.00 0.00 C ATOM 489 O LYS A 47 -1.641 0.963 7.696 1.00 0.00 O ATOM 490 CB LYS A 47 -1.553 -1.514 8.948 1.00 0.00 C ATOM 491 CG LYS A 47 -2.071 -0.589 10.053 1.00 0.00 C ATOM 492 CD LYS A 47 -1.317 -0.871 11.354 1.00 0.00 C ATOM 493 CE LYS A 47 -2.306 -0.897 12.522 1.00 0.00 C ATOM 494 NZ LYS A 47 -2.656 0.530 12.759 1.00 0.00 N ATOM 0 H LYS A 47 0.600 -0.396 10.189 1.00 0.00 H new ATOM 0 HA LYS A 47 0.001 -1.452 7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.321 -1.651 8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.334 -2.499 9.360 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.937 0.453 9.762 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.140 -0.744 10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.795 -1.825 11.285 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.560 -0.105 11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.190 -1.485 12.278 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.859 -1.347 13.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.681 0.716 13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.942 1.141 12.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.590 0.731 12.348 1.00 0.00 H new ATOM 508 N LYS A 48 0.524 1.303 7.795 1.00 0.00 N ATOM 509 CA LYS A 48 0.366 2.731 7.396 1.00 0.00 C ATOM 510 C LYS A 48 1.715 3.297 6.949 1.00 0.00 C ATOM 511 O LYS A 48 2.579 3.572 7.758 1.00 0.00 O ATOM 512 CB LYS A 48 -0.127 3.442 8.656 1.00 0.00 C ATOM 513 CG LYS A 48 0.778 3.076 9.835 1.00 0.00 C ATOM 514 CD LYS A 48 1.403 4.348 10.413 1.00 0.00 C ATOM 515 CE LYS A 48 1.306 4.316 11.940 1.00 0.00 C ATOM 516 NZ LYS A 48 1.080 5.734 12.339 1.00 0.00 N ATOM 0 H LYS A 48 1.484 1.003 7.961 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.326 2.858 6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.124 4.521 8.502 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.156 3.154 8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.202 2.560 10.603 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.560 2.390 9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.446 4.425 10.106 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.890 5.227 10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.487 3.677 12.271 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.219 3.921 12.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.003 5.795 13.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.879 6.317 12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.201 6.081 11.905 1.00 0.00 H new ATOM 530 N TYR A 49 1.910 3.468 5.669 1.00 0.00 N ATOM 531 CA TYR A 49 3.215 4.008 5.193 1.00 0.00 C ATOM 532 C TYR A 49 3.080 5.466 4.755 1.00 0.00 C ATOM 533 O TYR A 49 2.079 5.876 4.200 1.00 0.00 O ATOM 534 CB TYR A 49 3.604 3.140 3.998 1.00 0.00 C ATOM 535 CG TYR A 49 3.928 1.748 4.470 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.905 0.907 4.916 1.00 0.00 C ATOM 537 CD2 TYR A 49 5.252 1.302 4.466 1.00 0.00 C ATOM 538 CE1 TYR A 49 3.203 -0.385 5.364 1.00 0.00 C ATOM 539 CE2 TYR A 49 5.554 0.008 4.911 1.00 0.00 C ATOM 540 CZ TYR A 49 4.529 -0.835 5.361 1.00 0.00 C ATOM 541 OH TYR A 49 4.825 -2.108 5.803 1.00 0.00 O ATOM 0 H TYR A 49 1.229 3.259 4.939 1.00 0.00 H new ATOM 0 HA TYR A 49 3.964 3.983 5.985 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.787 3.110 3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.465 3.571 3.487 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.882 1.255 4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.041 1.953 4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.412 -1.033 5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.577 -0.340 4.907 1.00 0.00 H new ATOM 0 HH TYR A 49 4.007 -2.541 6.126 1.00 0.00 H new ATOM 551 N LEU A 50 4.101 6.239 4.983 1.00 0.00 N ATOM 552 CA LEU A 50 4.079 7.667 4.567 1.00 0.00 C ATOM 553 C LEU A 50 5.059 7.845 3.409 1.00 0.00 C ATOM 554 O LEU A 50 6.246 8.014 3.609 1.00 0.00 O ATOM 555 CB LEU A 50 4.544 8.450 5.797 1.00 0.00 C ATOM 556 CG LEU A 50 3.560 9.585 6.086 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.640 9.182 7.239 1.00 0.00 C ATOM 558 CD2 LEU A 50 4.340 10.843 6.474 1.00 0.00 C ATOM 0 H LEU A 50 4.960 5.940 5.445 1.00 0.00 H new ATOM 0 HA LEU A 50 3.098 8.006 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.612 7.786 6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.542 8.855 5.627 1.00 0.00 H new ATOM 0 HG LEU A 50 2.961 9.784 5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.939 9.991 7.445 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.087 8.283 6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.237 8.984 8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.642 11.654 6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.936 10.641 7.364 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.998 11.130 5.654 1.00 0.00 H new ATOM 570 N VAL A 51 4.583 7.779 2.198 1.00 0.00 N ATOM 571 CA VAL A 51 5.508 7.912 1.037 1.00 0.00 C ATOM 572 C VAL A 51 5.186 9.164 0.221 1.00 0.00 C ATOM 573 O VAL A 51 4.065 9.631 0.208 1.00 0.00 O ATOM 574 CB VAL A 51 5.274 6.647 0.210 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.593 5.413 1.060 1.00 0.00 C ATOM 576 CG2 VAL A 51 3.810 6.594 -0.235 1.00 0.00 C ATOM 0 H VAL A 51 3.601 7.640 1.962 1.00 0.00 H new ATOM 0 HA VAL A 51 6.547 8.015 1.349 1.00 0.00 H new ATOM 0 HB VAL A 51 5.922 6.661 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.426 4.512 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.635 5.450 1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.946 5.398 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.641 5.693 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.163 6.580 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.582 7.471 -0.840 1.00 0.00 H new ATOM 586 N PRO A 52 6.195 9.667 -0.435 1.00 0.00 N ATOM 587 CA PRO A 52 6.040 10.885 -1.268 1.00 0.00 C ATOM 588 C PRO A 52 5.194 10.579 -2.511 1.00 0.00 C ATOM 589 O PRO A 52 5.185 9.471 -3.011 1.00 0.00 O ATOM 590 CB PRO A 52 7.479 11.247 -1.638 1.00 0.00 C ATOM 591 CG PRO A 52 8.236 9.963 -1.539 1.00 0.00 C ATOM 592 CD PRO A 52 7.567 9.148 -0.466 1.00 0.00 C ATOM 0 HA PRO A 52 5.526 11.700 -0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.536 11.662 -2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.884 11.998 -0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.225 9.433 -2.491 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.281 10.148 -1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.587 8.084 -0.701 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.063 9.271 0.497 1.00 0.00 H new ATOM 600 N SER A 53 4.469 11.550 -2.997 1.00 0.00 N ATOM 601 CA SER A 53 3.601 11.326 -4.191 1.00 0.00 C ATOM 602 C SER A 53 4.435 10.980 -5.430 1.00 0.00 C ATOM 603 O SER A 53 3.921 10.495 -6.418 1.00 0.00 O ATOM 604 CB SER A 53 2.875 12.654 -4.394 1.00 0.00 C ATOM 605 OG SER A 53 2.820 12.952 -5.783 1.00 0.00 O ATOM 0 H SER A 53 4.440 12.496 -2.616 1.00 0.00 H new ATOM 0 HA SER A 53 2.917 10.490 -4.042 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.867 12.597 -3.982 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.393 13.450 -3.860 1.00 0.00 H new ATOM 0 HG SER A 53 1.900 13.178 -6.033 1.00 0.00 H new ATOM 611 N ASP A 54 5.711 11.237 -5.393 1.00 0.00 N ATOM 612 CA ASP A 54 6.568 10.934 -6.577 1.00 0.00 C ATOM 613 C ASP A 54 6.994 9.461 -6.585 1.00 0.00 C ATOM 614 O ASP A 54 7.534 8.973 -7.558 1.00 0.00 O ATOM 615 CB ASP A 54 7.789 11.839 -6.422 1.00 0.00 C ATOM 616 CG ASP A 54 8.278 12.280 -7.802 1.00 0.00 C ATOM 617 OD1 ASP A 54 7.775 11.757 -8.782 1.00 0.00 O ATOM 618 OD2 ASP A 54 9.148 13.133 -7.857 1.00 0.00 O ATOM 0 H ASP A 54 6.200 11.644 -4.596 1.00 0.00 H new ATOM 0 HA ASP A 54 6.038 11.108 -7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.534 12.711 -5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.583 11.309 -5.896 1.00 0.00 H new ATOM 623 N LEU A 55 6.770 8.748 -5.514 1.00 0.00 N ATOM 624 CA LEU A 55 7.183 7.313 -5.485 1.00 0.00 C ATOM 625 C LEU A 55 6.450 6.513 -6.556 1.00 0.00 C ATOM 626 O LEU A 55 5.280 6.709 -6.805 1.00 0.00 O ATOM 627 CB LEU A 55 6.777 6.781 -4.110 1.00 0.00 C ATOM 628 CG LEU A 55 8.007 6.623 -3.221 1.00 0.00 C ATOM 629 CD1 LEU A 55 7.637 5.766 -2.008 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.133 5.929 -3.990 1.00 0.00 C ATOM 0 H LEU A 55 6.323 9.092 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 55 8.253 7.221 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.067 7.464 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.272 5.821 -4.218 1.00 0.00 H new ATOM 0 HG LEU A 55 8.345 7.609 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.510 5.647 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.839 6.253 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.298 4.786 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.004 5.823 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.799 4.943 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.399 6.526 -4.862 1.00 0.00 H new ATOM 642 N THR A 56 7.131 5.592 -7.171 1.00 0.00 N ATOM 643 CA THR A 56 6.479 4.747 -8.207 1.00 0.00 C ATOM 644 C THR A 56 5.906 3.485 -7.552 1.00 0.00 C ATOM 645 O THR A 56 6.274 3.125 -6.448 1.00 0.00 O ATOM 646 CB THR A 56 7.593 4.388 -9.192 1.00 0.00 C ATOM 647 OG1 THR A 56 8.786 4.112 -8.474 1.00 0.00 O ATOM 648 CG2 THR A 56 7.829 5.557 -10.149 1.00 0.00 C ATOM 0 H THR A 56 8.115 5.386 -7.001 1.00 0.00 H new ATOM 0 HA THR A 56 5.655 5.256 -8.706 1.00 0.00 H new ATOM 0 HB THR A 56 7.301 3.508 -9.765 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.329 3.470 -8.977 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.623 5.299 -10.850 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.912 5.767 -10.700 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.120 6.440 -9.580 1.00 0.00 H new ATOM 656 N VAL A 57 5.011 2.809 -8.218 1.00 0.00 N ATOM 657 CA VAL A 57 4.426 1.573 -7.624 1.00 0.00 C ATOM 658 C VAL A 57 5.533 0.555 -7.330 1.00 0.00 C ATOM 659 O VAL A 57 5.434 -0.238 -6.414 1.00 0.00 O ATOM 660 CB VAL A 57 3.469 1.034 -8.687 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.085 -0.408 -8.346 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.208 1.900 -8.723 1.00 0.00 C ATOM 0 H VAL A 57 4.660 3.057 -9.143 1.00 0.00 H new ATOM 0 HA VAL A 57 3.915 1.769 -6.681 1.00 0.00 H new ATOM 0 HB VAL A 57 3.958 1.060 -9.661 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.403 -0.792 -9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.982 -1.027 -8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.597 -0.434 -7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.525 1.517 -9.481 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.721 1.874 -7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.479 2.928 -8.966 1.00 0.00 H new ATOM 672 N GLY A 58 6.587 0.570 -8.102 1.00 0.00 N ATOM 673 CA GLY A 58 7.699 -0.399 -7.869 1.00 0.00 C ATOM 674 C GLY A 58 8.417 -0.063 -6.559 1.00 0.00 C ATOM 675 O GLY A 58 8.991 -0.921 -5.919 1.00 0.00 O ATOM 0 H GLY A 58 6.727 1.211 -8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.305 -1.415 -7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.404 -0.364 -8.700 1.00 0.00 H new ATOM 679 N GLN A 59 8.392 1.178 -6.155 1.00 0.00 N ATOM 680 CA GLN A 59 9.076 1.561 -4.884 1.00 0.00 C ATOM 681 C GLN A 59 8.240 1.119 -3.686 1.00 0.00 C ATOM 682 O GLN A 59 8.727 0.468 -2.780 1.00 0.00 O ATOM 683 CB GLN A 59 9.180 3.084 -4.930 1.00 0.00 C ATOM 684 CG GLN A 59 10.034 3.494 -6.127 1.00 0.00 C ATOM 685 CD GLN A 59 11.503 3.177 -5.843 1.00 0.00 C ATOM 686 OE1 GLN A 59 12.253 4.037 -5.427 1.00 0.00 O ATOM 687 NE2 GLN A 59 11.950 1.969 -6.052 1.00 0.00 N ATOM 0 H GLN A 59 7.929 1.942 -6.647 1.00 0.00 H new ATOM 0 HA GLN A 59 10.054 1.090 -4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.187 3.526 -5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.623 3.458 -4.007 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.704 2.964 -7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.913 4.559 -6.325 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.321 1.246 -6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.928 1.748 -5.866 1.00 0.00 H new ATOM 696 N PHE A 60 6.985 1.466 -3.671 1.00 0.00 N ATOM 697 CA PHE A 60 6.130 1.055 -2.522 1.00 0.00 C ATOM 698 C PHE A 60 6.088 -0.474 -2.423 1.00 0.00 C ATOM 699 O PHE A 60 6.280 -1.037 -1.370 1.00 0.00 O ATOM 700 CB PHE A 60 4.738 1.619 -2.813 1.00 0.00 C ATOM 701 CG PHE A 60 3.918 1.546 -1.548 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.439 2.057 -0.354 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.652 0.950 -1.561 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.696 1.974 0.827 1.00 0.00 C ATOM 705 CE2 PHE A 60 1.913 0.861 -0.376 1.00 0.00 C ATOM 706 CZ PHE A 60 2.437 1.374 0.816 1.00 0.00 C ATOM 0 H PHE A 60 6.517 2.010 -4.395 1.00 0.00 H new ATOM 0 HA PHE A 60 6.515 1.429 -1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.812 2.650 -3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.258 1.050 -3.609 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.417 2.516 -0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.246 0.560 -2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.096 2.374 1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.938 0.396 -0.381 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.865 1.305 1.730 1.00 0.00 H new ATOM 716 N TYR A 61 5.865 -1.153 -3.513 1.00 0.00 N ATOM 717 CA TYR A 61 5.836 -2.645 -3.470 1.00 0.00 C ATOM 718 C TYR A 61 7.076 -3.161 -2.734 1.00 0.00 C ATOM 719 O TYR A 61 7.094 -4.259 -2.212 1.00 0.00 O ATOM 720 CB TYR A 61 5.891 -3.051 -4.942 1.00 0.00 C ATOM 721 CG TYR A 61 4.844 -4.095 -5.245 1.00 0.00 C ATOM 722 CD1 TYR A 61 4.982 -5.398 -4.750 1.00 0.00 C ATOM 723 CD2 TYR A 61 3.744 -3.763 -6.043 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.018 -6.366 -5.054 1.00 0.00 C ATOM 725 CE2 TYR A 61 2.779 -4.729 -6.344 1.00 0.00 C ATOM 726 CZ TYR A 61 2.917 -6.032 -5.850 1.00 0.00 C ATOM 727 OH TYR A 61 1.971 -6.989 -6.151 1.00 0.00 O ATOM 0 H TYR A 61 5.701 -0.742 -4.432 1.00 0.00 H new ATOM 0 HA TYR A 61 4.963 -3.045 -2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.733 -2.176 -5.572 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.881 -3.441 -5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.831 -5.655 -4.134 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.640 -2.759 -6.427 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.124 -7.371 -4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.928 -4.470 -6.957 1.00 0.00 H new ATOM 0 HH TYR A 61 2.221 -7.839 -5.733 1.00 0.00 H new ATOM 737 N PHE A 62 8.114 -2.372 -2.697 1.00 0.00 N ATOM 738 CA PHE A 62 9.362 -2.807 -2.009 1.00 0.00 C ATOM 739 C PHE A 62 9.274 -2.573 -0.496 1.00 0.00 C ATOM 740 O PHE A 62 9.473 -3.480 0.288 1.00 0.00 O ATOM 741 CB PHE A 62 10.468 -1.944 -2.617 1.00 0.00 C ATOM 742 CG PHE A 62 11.748 -2.745 -2.697 1.00 0.00 C ATOM 743 CD1 PHE A 62 11.984 -3.780 -1.785 1.00 0.00 C ATOM 744 CD2 PHE A 62 12.697 -2.449 -3.683 1.00 0.00 C ATOM 745 CE1 PHE A 62 13.170 -4.521 -1.859 1.00 0.00 C ATOM 746 CE2 PHE A 62 13.883 -3.190 -3.756 1.00 0.00 C ATOM 747 CZ PHE A 62 14.119 -4.226 -2.844 1.00 0.00 C ATOM 0 H PHE A 62 8.152 -1.442 -3.115 1.00 0.00 H new ATOM 0 HA PHE A 62 9.543 -3.873 -2.143 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.175 -1.607 -3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.622 -1.052 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.252 -4.007 -1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.515 -1.650 -4.386 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.352 -5.320 -1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.616 -2.962 -4.516 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.034 -4.797 -2.901 1.00 0.00 H new ATOM 757 N LEU A 63 9.010 -1.365 -0.072 1.00 0.00 N ATOM 758 CA LEU A 63 8.958 -1.106 1.401 1.00 0.00 C ATOM 759 C LEU A 63 7.898 -1.976 2.098 1.00 0.00 C ATOM 760 O LEU A 63 8.018 -2.259 3.273 1.00 0.00 O ATOM 761 CB LEU A 63 8.680 0.395 1.599 1.00 0.00 C ATOM 762 CG LEU A 63 7.529 0.884 0.719 1.00 0.00 C ATOM 763 CD1 LEU A 63 6.269 1.051 1.570 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.916 2.239 0.114 1.00 0.00 C ATOM 0 H LEU A 63 8.831 -0.557 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 63 9.909 -1.375 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.442 0.585 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.580 0.964 1.368 1.00 0.00 H new ATOM 0 HG LEU A 63 7.334 0.161 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.449 1.400 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.002 0.093 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.457 1.779 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.104 2.601 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.101 2.955 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.819 2.125 -0.486 1.00 0.00 H new ATOM 776 N ILE A 64 6.889 -2.451 1.407 1.00 0.00 N ATOM 777 CA ILE A 64 5.912 -3.340 2.115 1.00 0.00 C ATOM 778 C ILE A 64 6.368 -4.790 1.964 1.00 0.00 C ATOM 779 O ILE A 64 6.196 -5.588 2.851 1.00 0.00 O ATOM 780 CB ILE A 64 4.521 -3.185 1.480 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.340 -1.821 0.824 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.460 -3.355 2.567 1.00 0.00 C ATOM 783 CD1 ILE A 64 2.867 -1.638 0.452 1.00 0.00 C ATOM 0 H ILE A 64 6.702 -2.271 0.420 1.00 0.00 H new ATOM 0 HA ILE A 64 5.863 -3.067 3.169 1.00 0.00 H new ATOM 0 HB ILE A 64 4.418 -3.946 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.657 -1.031 1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.965 -1.745 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.468 -3.247 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.553 -4.345 3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.601 -2.595 3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.729 -0.664 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.567 -2.422 -0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.254 -1.697 1.352 1.00 0.00 H new ATOM 795 N ARG A 65 6.944 -5.133 0.838 1.00 0.00 N ATOM 796 CA ARG A 65 7.413 -6.541 0.629 1.00 0.00 C ATOM 797 C ARG A 65 8.020 -7.100 1.916 1.00 0.00 C ATOM 798 O ARG A 65 7.590 -8.118 2.420 1.00 0.00 O ATOM 799 CB ARG A 65 8.473 -6.448 -0.469 1.00 0.00 C ATOM 800 CG ARG A 65 8.109 -7.397 -1.612 1.00 0.00 C ATOM 801 CD ARG A 65 8.395 -6.716 -2.952 1.00 0.00 C ATOM 802 NE ARG A 65 9.461 -7.542 -3.583 1.00 0.00 N ATOM 803 CZ ARG A 65 10.566 -6.980 -3.993 1.00 0.00 C ATOM 804 NH1 ARG A 65 10.613 -6.415 -5.168 1.00 0.00 N ATOM 805 NH2 ARG A 65 11.622 -6.982 -3.227 1.00 0.00 N ATOM 0 H ARG A 65 7.110 -4.501 0.055 1.00 0.00 H new ATOM 0 HA ARG A 65 6.596 -7.208 0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.540 -5.425 -0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.453 -6.706 -0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.685 -8.319 -1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.056 -7.672 -1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.502 -6.681 -3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.725 -5.687 -2.810 1.00 0.00 H new ATOM 0 HE ARG A 65 9.328 -8.547 -3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.787 -6.412 -5.766 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.476 -5.976 -5.489 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.584 -7.423 -2.308 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.485 -6.543 -3.547 1.00 0.00 H new ATOM 817 N LYS A 66 9.003 -6.444 2.464 1.00 0.00 N ATOM 818 CA LYS A 66 9.605 -6.949 3.729 1.00 0.00 C ATOM 819 C LYS A 66 8.556 -6.881 4.838 1.00 0.00 C ATOM 820 O LYS A 66 8.496 -7.725 5.710 1.00 0.00 O ATOM 821 CB LYS A 66 10.769 -6.003 4.026 1.00 0.00 C ATOM 822 CG LYS A 66 12.084 -6.668 3.619 1.00 0.00 C ATOM 823 CD LYS A 66 12.399 -6.325 2.161 1.00 0.00 C ATOM 824 CE LYS A 66 11.761 -7.368 1.242 1.00 0.00 C ATOM 825 NZ LYS A 66 12.487 -8.635 1.537 1.00 0.00 N ATOM 0 H LYS A 66 9.414 -5.586 2.095 1.00 0.00 H new ATOM 0 HA LYS A 66 9.945 -7.982 3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.639 -5.067 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.788 -5.755 5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.892 -6.327 4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.011 -7.749 3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.020 -5.332 1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.478 -6.300 2.007 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.694 -7.469 1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.866 -7.088 0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.626 -9.169 0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.412 -8.415 1.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.930 -9.207 2.204 1.00 0.00 H new ATOM 839 N ARG A 67 7.722 -5.881 4.795 1.00 0.00 N ATOM 840 CA ARG A 67 6.660 -5.742 5.827 1.00 0.00 C ATOM 841 C ARG A 67 5.564 -6.789 5.600 1.00 0.00 C ATOM 842 O ARG A 67 4.712 -7.000 6.440 1.00 0.00 O ATOM 843 CB ARG A 67 6.107 -4.329 5.638 1.00 0.00 C ATOM 844 CG ARG A 67 7.256 -3.317 5.696 1.00 0.00 C ATOM 845 CD ARG A 67 7.859 -3.309 7.102 1.00 0.00 C ATOM 846 NE ARG A 67 9.251 -2.812 6.924 1.00 0.00 N ATOM 847 CZ ARG A 67 9.695 -1.835 7.666 1.00 0.00 C ATOM 848 NH1 ARG A 67 9.854 -2.010 8.949 1.00 0.00 N ATOM 849 NH2 ARG A 67 9.978 -0.682 7.125 1.00 0.00 N ATOM 0 H ARG A 67 7.731 -5.149 4.084 1.00 0.00 H new ATOM 0 HA ARG A 67 7.039 -5.896 6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.591 -4.254 4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.374 -4.107 6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.020 -3.576 4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.892 -2.322 5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.292 -2.662 7.771 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.850 -4.307 7.541 1.00 0.00 H new ATOM 0 HE ARG A 67 9.858 -3.235 6.222 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.631 -2.911 9.372 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.201 -1.246 9.529 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.852 -0.545 6.122 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.325 0.082 7.705 1.00 0.00 H new ATOM 861 N ILE A 68 5.592 -7.468 4.481 1.00 0.00 N ATOM 862 CA ILE A 68 4.574 -8.515 4.219 1.00 0.00 C ATOM 863 C ILE A 68 5.087 -9.836 4.802 1.00 0.00 C ATOM 864 O ILE A 68 4.378 -10.818 4.870 1.00 0.00 O ATOM 865 CB ILE A 68 4.492 -8.607 2.688 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.519 -7.570 2.096 1.00 0.00 C ATOM 867 CG2 ILE A 68 4.003 -10.001 2.283 1.00 0.00 C ATOM 868 CD1 ILE A 68 3.433 -6.277 2.921 1.00 0.00 C ATOM 0 H ILE A 68 6.280 -7.338 3.739 1.00 0.00 H new ATOM 0 HA ILE A 68 3.602 -8.298 4.661 1.00 0.00 H new ATOM 0 HB ILE A 68 5.492 -8.410 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.833 -7.325 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.526 -8.014 2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.945 -10.065 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.699 -10.753 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.016 -10.179 2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.731 -5.590 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.090 -6.511 3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.417 -5.812 2.972 1.00 0.00 H new ATOM 880 N HIS A 69 6.337 -9.861 5.197 1.00 0.00 N ATOM 881 CA HIS A 69 6.938 -11.102 5.750 1.00 0.00 C ATOM 882 C HIS A 69 7.190 -12.085 4.612 1.00 0.00 C ATOM 883 O HIS A 69 7.199 -13.287 4.795 1.00 0.00 O ATOM 884 CB HIS A 69 5.922 -11.654 6.747 1.00 0.00 C ATOM 885 CG HIS A 69 6.596 -11.898 8.069 1.00 0.00 C ATOM 886 ND1 HIS A 69 7.965 -12.084 8.180 1.00 0.00 N ATOM 887 CD2 HIS A 69 6.101 -11.987 9.346 1.00 0.00 C ATOM 888 CE1 HIS A 69 8.244 -12.273 9.482 1.00 0.00 C ATOM 889 NE2 HIS A 69 7.143 -12.224 10.237 1.00 0.00 N ATOM 0 H HIS A 69 6.969 -9.061 5.157 1.00 0.00 H new ATOM 0 HA HIS A 69 7.894 -10.921 6.242 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.099 -10.950 6.871 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.493 -12.582 6.369 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.061 -11.888 9.618 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.237 -12.444 9.870 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.080 -12.336 11.249 1.00 0.00 H new ATOM 897 N LEU A 70 7.406 -11.569 3.435 1.00 0.00 N ATOM 898 CA LEU A 70 7.674 -12.454 2.265 1.00 0.00 C ATOM 899 C LEU A 70 9.109 -12.244 1.771 1.00 0.00 C ATOM 900 O LEU A 70 9.722 -11.230 2.040 1.00 0.00 O ATOM 901 CB LEU A 70 6.652 -12.045 1.194 1.00 0.00 C ATOM 902 CG LEU A 70 6.855 -10.582 0.776 1.00 0.00 C ATOM 903 CD1 LEU A 70 8.094 -10.461 -0.114 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.629 -10.111 -0.008 1.00 0.00 C ATOM 0 H LEU A 70 7.409 -10.570 3.231 1.00 0.00 H new ATOM 0 HA LEU A 70 7.577 -13.511 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.752 -12.694 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.641 -12.181 1.579 1.00 0.00 H new ATOM 0 HG LEU A 70 6.990 -9.968 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.232 -9.420 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.971 -10.802 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.963 -11.074 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.766 -9.072 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.504 -10.732 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.742 -10.193 0.620 1.00 0.00 H new ATOM 916 N ARG A 71 9.654 -13.195 1.062 1.00 0.00 N ATOM 917 CA ARG A 71 11.054 -13.038 0.571 1.00 0.00 C ATOM 918 C ARG A 71 11.365 -14.066 -0.523 1.00 0.00 C ATOM 919 O ARG A 71 10.508 -14.813 -0.951 1.00 0.00 O ATOM 920 CB ARG A 71 11.925 -13.290 1.805 1.00 0.00 C ATOM 921 CG ARG A 71 11.835 -14.766 2.211 1.00 0.00 C ATOM 922 CD ARG A 71 13.201 -15.242 2.709 1.00 0.00 C ATOM 923 NE ARG A 71 13.130 -15.130 4.194 1.00 0.00 N ATOM 924 CZ ARG A 71 14.094 -15.609 4.931 1.00 0.00 C ATOM 925 NH1 ARG A 71 15.309 -15.668 4.459 1.00 0.00 N ATOM 926 NH2 ARG A 71 13.843 -16.029 6.141 1.00 0.00 N ATOM 0 H ARG A 71 9.195 -14.068 0.803 1.00 0.00 H new ATOM 0 HA ARG A 71 11.228 -12.056 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.960 -13.025 1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.597 -12.656 2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.086 -14.894 2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.515 -15.369 1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 71 13.398 -16.268 2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.005 -14.627 2.305 1.00 0.00 H new ATOM 0 HE ARG A 71 12.328 -14.679 4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 71 15.505 -15.340 3.514 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.062 -16.043 5.036 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.893 -15.983 6.510 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.597 -16.404 6.717 1.00 0.00 H new ATOM 938 N ALA A 72 12.592 -14.112 -0.967 1.00 0.00 N ATOM 939 CA ALA A 72 12.974 -15.092 -2.022 1.00 0.00 C ATOM 940 C ALA A 72 12.026 -14.997 -3.221 1.00 0.00 C ATOM 941 O ALA A 72 12.260 -14.245 -4.146 1.00 0.00 O ATOM 942 CB ALA A 72 12.857 -16.461 -1.348 1.00 0.00 C ATOM 0 H ALA A 72 13.349 -13.510 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 72 13.977 -14.908 -2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.123 -17.241 -2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.532 -16.505 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.832 -16.613 -1.009 1.00 0.00 H new ATOM 948 N GLU A 73 10.969 -15.762 -3.223 1.00 0.00 N ATOM 949 CA GLU A 73 10.027 -15.714 -4.377 1.00 0.00 C ATOM 950 C GLU A 73 8.614 -16.134 -3.952 1.00 0.00 C ATOM 951 O GLU A 73 7.939 -16.860 -4.654 1.00 0.00 O ATOM 952 CB GLU A 73 10.621 -16.704 -5.385 1.00 0.00 C ATOM 953 CG GLU A 73 10.146 -18.129 -5.077 1.00 0.00 C ATOM 954 CD GLU A 73 11.250 -19.124 -5.438 1.00 0.00 C ATOM 955 OE1 GLU A 73 11.637 -19.156 -6.594 1.00 0.00 O ATOM 956 OE2 GLU A 73 11.689 -19.838 -4.551 1.00 0.00 O ATOM 0 H GLU A 73 10.718 -16.415 -2.480 1.00 0.00 H new ATOM 0 HA GLU A 73 9.923 -14.711 -4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.324 -16.425 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.710 -16.661 -5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.892 -18.219 -4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.241 -18.352 -5.642 1.00 0.00 H new ATOM 963 N ASP A 74 8.159 -15.683 -2.817 1.00 0.00 N ATOM 964 CA ASP A 74 6.788 -16.061 -2.367 1.00 0.00 C ATOM 965 C ASP A 74 5.746 -15.433 -3.282 1.00 0.00 C ATOM 966 O ASP A 74 6.050 -14.678 -4.186 1.00 0.00 O ATOM 967 CB ASP A 74 6.674 -15.529 -0.929 1.00 0.00 C ATOM 968 CG ASP A 74 5.253 -15.041 -0.618 1.00 0.00 C ATOM 969 OD1 ASP A 74 4.447 -15.857 -0.203 1.00 0.00 O ATOM 970 OD2 ASP A 74 4.999 -13.862 -0.799 1.00 0.00 O ATOM 0 H ASP A 74 8.673 -15.072 -2.183 1.00 0.00 H new ATOM 0 HA ASP A 74 6.617 -17.137 -2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.951 -16.315 -0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.380 -14.711 -0.786 1.00 0.00 H new ATOM 975 N ALA A 75 4.520 -15.746 -3.035 1.00 0.00 N ATOM 976 CA ALA A 75 3.412 -15.187 -3.861 1.00 0.00 C ATOM 977 C ALA A 75 2.883 -13.901 -3.219 1.00 0.00 C ATOM 978 O ALA A 75 2.811 -13.788 -2.011 1.00 0.00 O ATOM 979 CB ALA A 75 2.333 -16.270 -3.870 1.00 0.00 C ATOM 0 H ALA A 75 4.224 -16.374 -2.287 1.00 0.00 H new ATOM 0 HA ALA A 75 3.733 -14.933 -4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.482 -15.931 -4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.737 -17.183 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.009 -16.470 -2.848 1.00 0.00 H new ATOM 985 N LEU A 76 2.522 -12.930 -4.011 1.00 0.00 N ATOM 986 CA LEU A 76 2.009 -11.655 -3.431 1.00 0.00 C ATOM 987 C LEU A 76 1.290 -10.827 -4.494 1.00 0.00 C ATOM 988 O LEU A 76 1.556 -10.940 -5.675 1.00 0.00 O ATOM 989 CB LEU A 76 3.254 -10.920 -2.941 1.00 0.00 C ATOM 990 CG LEU A 76 2.888 -9.501 -2.512 1.00 0.00 C ATOM 991 CD1 LEU A 76 2.196 -9.540 -1.148 1.00 0.00 C ATOM 992 CD2 LEU A 76 4.166 -8.666 -2.409 1.00 0.00 C ATOM 0 H LEU A 76 2.559 -12.962 -5.030 1.00 0.00 H new ATOM 0 HA LEU A 76 1.289 -11.832 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.698 -11.459 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.002 -10.888 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 76 2.214 -9.058 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.935 -8.526 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.290 -10.143 -1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.869 -9.979 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.914 -7.651 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.833 -9.112 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.663 -8.640 -3.379 1.00 0.00 H new ATOM 1004 N PHE A 77 0.383 -9.994 -4.077 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.363 -9.145 -5.046 1.00 0.00 C ATOM 1006 C PHE A 77 -0.916 -7.902 -4.341 1.00 0.00 C ATOM 1007 O PHE A 77 -1.632 -8.001 -3.365 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.502 -10.031 -5.543 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.935 -11.236 -6.256 1.00 0.00 C ATOM 1010 CD1 PHE A 77 -0.367 -11.093 -7.527 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.980 -12.495 -5.646 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.158 -12.211 -8.188 1.00 0.00 C ATOM 1013 CE2 PHE A 77 -0.456 -13.612 -6.307 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.114 -13.470 -7.578 1.00 0.00 C ATOM 0 H PHE A 77 0.123 -9.863 -3.099 1.00 0.00 H new ATOM 0 HA PHE A 77 0.267 -8.792 -5.862 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.120 -10.350 -4.704 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.147 -9.467 -6.217 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.333 -10.122 -7.998 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.419 -12.605 -4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.597 -12.101 -9.169 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.491 -14.584 -5.837 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.520 -14.332 -8.087 1.00 0.00 H new ATOM 1024 N PHE A 78 -0.590 -6.734 -4.826 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.099 -5.490 -4.177 1.00 0.00 C ATOM 1026 C PHE A 78 -2.376 -5.017 -4.878 1.00 0.00 C ATOM 1027 O PHE A 78 -2.353 -4.620 -6.025 1.00 0.00 O ATOM 1028 CB PHE A 78 0.012 -4.452 -4.358 1.00 0.00 C ATOM 1029 CG PHE A 78 1.114 -4.666 -3.341 1.00 0.00 C ATOM 1030 CD1 PHE A 78 1.401 -5.953 -2.866 1.00 0.00 C ATOM 1031 CD2 PHE A 78 1.862 -3.571 -2.884 1.00 0.00 C ATOM 1032 CE1 PHE A 78 2.432 -6.139 -1.937 1.00 0.00 C ATOM 1033 CE2 PHE A 78 2.896 -3.767 -1.959 1.00 0.00 C ATOM 1034 CZ PHE A 78 3.178 -5.046 -1.488 1.00 0.00 C ATOM 0 H PHE A 78 0.005 -6.587 -5.641 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.341 -5.649 -3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.421 -4.522 -5.366 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.400 -3.449 -4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.828 -6.799 -3.216 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.641 -2.577 -3.245 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.651 -7.130 -1.567 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.475 -2.924 -1.611 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.975 -5.194 -0.774 1.00 0.00 H new ATOM 1044 N PHE A 79 -3.488 -5.051 -4.197 1.00 0.00 N ATOM 1045 CA PHE A 79 -4.761 -4.597 -4.826 1.00 0.00 C ATOM 1046 C PHE A 79 -5.207 -3.273 -4.212 1.00 0.00 C ATOM 1047 O PHE A 79 -5.328 -3.142 -3.010 1.00 0.00 O ATOM 1048 CB PHE A 79 -5.784 -5.678 -4.505 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.311 -7.012 -5.030 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -5.512 -7.343 -6.376 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -4.677 -7.919 -4.172 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -5.078 -8.581 -6.864 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -4.245 -9.157 -4.660 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.446 -9.488 -6.005 1.00 0.00 C ATOM 0 H PHE A 79 -3.571 -5.373 -3.233 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.647 -4.445 -5.899 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.937 -5.736 -3.427 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -6.746 -5.423 -4.950 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.002 -6.643 -7.037 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.522 -7.663 -3.134 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.231 -8.836 -7.902 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.756 -9.857 -3.999 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.113 -10.444 -6.381 1.00 0.00 H new ATOM 1064 N VAL A 80 -5.467 -2.299 -5.028 1.00 0.00 N ATOM 1065 CA VAL A 80 -5.924 -0.983 -4.496 1.00 0.00 C ATOM 1066 C VAL A 80 -7.291 -0.639 -5.093 1.00 0.00 C ATOM 1067 O VAL A 80 -7.453 -0.572 -6.295 1.00 0.00 O ATOM 1068 CB VAL A 80 -4.866 0.039 -4.927 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -4.875 1.212 -3.946 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.473 -0.605 -4.919 1.00 0.00 C ATOM 0 H VAL A 80 -5.384 -2.352 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.033 -0.992 -3.412 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.096 0.386 -5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.125 1.943 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.859 1.680 -3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.648 0.850 -2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.730 0.131 -5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.240 -0.957 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.458 -1.447 -5.611 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.279 -0.425 -4.267 1.00 0.00 N ATOM 1081 CA ASN A 81 -9.633 -0.095 -4.799 1.00 0.00 C ATOM 1082 C ASN A 81 -10.111 -1.208 -5.736 1.00 0.00 C ATOM 1083 O ASN A 81 -10.800 -0.961 -6.706 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.450 1.210 -5.574 1.00 0.00 C ATOM 1085 CG ASN A 81 -9.745 2.398 -4.659 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -10.647 3.170 -4.917 1.00 0.00 O ATOM 1087 ND2 ASN A 81 -9.017 2.580 -3.593 1.00 0.00 N ATOM 0 H ASN A 81 -8.208 -0.464 -3.250 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.376 0.003 -4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.432 1.277 -5.957 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.116 1.229 -6.436 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.205 3.370 -2.976 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.260 1.932 -3.376 1.00 0.00 H new ATOM 1094 N ASN A 82 -9.745 -2.430 -5.459 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.171 -3.553 -6.341 1.00 0.00 C ATOM 1096 C ASN A 82 -9.576 -3.370 -7.739 1.00 0.00 C ATOM 1097 O ASN A 82 -10.164 -3.747 -8.732 1.00 0.00 O ATOM 1098 CB ASN A 82 -11.697 -3.467 -6.391 1.00 0.00 C ATOM 1099 CG ASN A 82 -12.292 -4.873 -6.307 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -12.738 -5.295 -5.258 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -12.317 -5.623 -7.375 1.00 0.00 N ATOM 0 H ASN A 82 -9.170 -2.699 -4.661 1.00 0.00 H new ATOM 0 HA ASN A 82 -9.834 -4.522 -5.972 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.064 -2.856 -5.567 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.014 -2.981 -7.314 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.711 -6.563 -7.329 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.943 -5.269 -8.255 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.411 -2.787 -7.819 1.00 0.00 N ATOM 1109 CA VAL A 83 -7.771 -2.569 -9.149 1.00 0.00 C ATOM 1110 C VAL A 83 -6.303 -3.005 -9.093 1.00 0.00 C ATOM 1111 O VAL A 83 -5.775 -3.288 -8.037 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.877 -1.058 -9.402 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.745 -0.775 -10.900 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.235 -0.545 -8.913 1.00 0.00 C ATOM 0 H VAL A 83 -7.873 -2.451 -7.020 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.249 -3.144 -9.942 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.078 -0.551 -8.861 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.821 0.298 -11.076 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.778 -1.133 -11.254 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.542 -1.288 -11.439 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.306 0.527 -9.095 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.033 -1.057 -9.451 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.334 -0.740 -7.845 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.640 -3.047 -10.220 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.206 -3.464 -10.242 1.00 0.00 C ATOM 1126 C ILE A 84 -3.513 -2.845 -11.457 1.00 0.00 C ATOM 1127 O ILE A 84 -3.285 -3.508 -12.450 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.210 -4.991 -10.402 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -5.328 -5.635 -9.574 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -2.864 -5.549 -9.938 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -6.661 -5.506 -10.315 1.00 0.00 C ATOM 0 H ILE A 84 -6.033 -2.809 -11.131 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.685 -3.146 -9.339 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.380 -5.223 -11.453 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.101 -6.686 -9.395 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.395 -5.153 -8.599 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.862 -6.633 -10.050 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.065 -5.120 -10.542 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.705 -5.292 -8.891 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.452 -5.965 -9.723 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.890 -4.452 -10.471 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.591 -6.009 -11.279 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.200 -1.585 -11.330 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.523 -0.850 -12.428 1.00 0.00 C ATOM 1145 C PRO A 85 -1.062 -1.299 -12.549 1.00 0.00 C ATOM 1146 O PRO A 85 -0.535 -1.944 -11.665 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.613 0.609 -11.990 1.00 0.00 C ATOM 1148 CG PRO A 85 -2.749 0.560 -10.502 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.446 -0.732 -10.163 1.00 0.00 C ATOM 0 HA PRO A 85 -2.974 -1.023 -13.405 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.724 1.165 -12.287 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.468 1.106 -12.448 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.770 0.607 -10.024 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.322 1.413 -10.139 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.043 -1.176 -9.252 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.513 -0.579 -9.998 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.460 -0.939 -13.650 1.00 0.00 N ATOM 1158 CA PRO A 86 0.954 -1.308 -13.902 1.00 0.00 C ATOM 1159 C PRO A 86 1.889 -0.468 -13.030 1.00 0.00 C ATOM 1160 O PRO A 86 1.455 0.379 -12.274 1.00 0.00 O ATOM 1161 CB PRO A 86 1.148 -0.986 -15.382 1.00 0.00 C ATOM 1162 CG PRO A 86 0.125 0.061 -15.689 1.00 0.00 C ATOM 1163 CD PRO A 86 -1.035 -0.162 -14.753 1.00 0.00 C ATOM 0 HA PRO A 86 1.176 -2.349 -13.666 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.156 -0.621 -15.577 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.004 -1.872 -16.001 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.543 1.059 -15.553 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.199 -0.010 -16.727 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.451 0.782 -14.401 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.844 -0.704 -15.243 1.00 0.00 H new ATOM 1171 N THR A 87 3.168 -0.701 -13.124 1.00 0.00 N ATOM 1172 CA THR A 87 4.131 0.084 -12.292 1.00 0.00 C ATOM 1173 C THR A 87 4.526 1.379 -13.003 1.00 0.00 C ATOM 1174 O THR A 87 5.537 1.983 -12.705 1.00 0.00 O ATOM 1175 CB THR A 87 5.353 -0.815 -12.115 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.479 -1.680 -13.235 1.00 0.00 O ATOM 1177 CG2 THR A 87 5.200 -1.643 -10.838 1.00 0.00 C ATOM 0 H THR A 87 3.590 -1.398 -13.738 1.00 0.00 H new ATOM 0 HA THR A 87 3.693 0.366 -11.335 1.00 0.00 H new ATOM 0 HB THR A 87 6.247 -0.196 -12.039 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.265 -2.254 -13.118 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.073 -2.284 -10.713 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.114 -0.976 -9.980 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.304 -2.260 -10.909 1.00 0.00 H new ATOM 1185 N SER A 88 3.729 1.807 -13.933 1.00 0.00 N ATOM 1186 CA SER A 88 4.038 3.069 -14.667 1.00 0.00 C ATOM 1187 C SER A 88 3.309 4.239 -14.005 1.00 0.00 C ATOM 1188 O SER A 88 2.824 5.138 -14.663 1.00 0.00 O ATOM 1189 CB SER A 88 3.517 2.842 -16.086 1.00 0.00 C ATOM 1190 OG SER A 88 2.100 2.944 -16.088 1.00 0.00 O ATOM 0 H SER A 88 2.870 1.338 -14.222 1.00 0.00 H new ATOM 0 HA SER A 88 5.102 3.307 -14.663 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.947 3.578 -16.766 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.823 1.859 -16.445 1.00 0.00 H new ATOM 0 HG SER A 88 1.763 2.801 -16.997 1.00 0.00 H new ATOM 1196 N ALA A 89 3.224 4.225 -12.704 1.00 0.00 N ATOM 1197 CA ALA A 89 2.521 5.326 -11.983 1.00 0.00 C ATOM 1198 C ALA A 89 3.202 5.598 -10.645 1.00 0.00 C ATOM 1199 O ALA A 89 4.230 5.032 -10.327 1.00 0.00 O ATOM 1200 CB ALA A 89 1.101 4.806 -11.762 1.00 0.00 C ATOM 0 H ALA A 89 3.612 3.496 -12.106 1.00 0.00 H new ATOM 0 HA ALA A 89 2.533 6.261 -12.543 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.516 5.559 -11.235 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.637 4.594 -12.725 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.136 3.893 -11.168 1.00 0.00 H new ATOM 1206 N THR A 90 2.632 6.463 -9.864 1.00 0.00 N ATOM 1207 CA THR A 90 3.237 6.785 -8.541 1.00 0.00 C ATOM 1208 C THR A 90 2.146 6.911 -7.474 1.00 0.00 C ATOM 1209 O THR A 90 1.023 7.283 -7.755 1.00 0.00 O ATOM 1210 CB THR A 90 3.949 8.126 -8.741 1.00 0.00 C ATOM 1211 OG1 THR A 90 2.985 9.148 -8.940 1.00 0.00 O ATOM 1212 CG2 THR A 90 4.867 8.042 -9.962 1.00 0.00 C ATOM 0 H THR A 90 1.771 6.965 -10.081 1.00 0.00 H new ATOM 0 HA THR A 90 3.922 6.007 -8.204 1.00 0.00 H new ATOM 0 HB THR A 90 4.544 8.356 -7.857 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.045 9.801 -8.211 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.373 8.997 -10.103 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.608 7.258 -9.807 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.275 7.811 -10.847 1.00 0.00 H new ATOM 1220 N MET A 91 2.472 6.592 -6.252 1.00 0.00 N ATOM 1221 CA MET A 91 1.460 6.680 -5.160 1.00 0.00 C ATOM 1222 C MET A 91 0.797 8.060 -5.165 1.00 0.00 C ATOM 1223 O MET A 91 -0.388 8.193 -4.932 1.00 0.00 O ATOM 1224 CB MET A 91 2.241 6.472 -3.854 1.00 0.00 C ATOM 1225 CG MET A 91 2.791 5.039 -3.768 1.00 0.00 C ATOM 1226 SD MET A 91 1.487 3.844 -4.156 1.00 0.00 S ATOM 1227 CE MET A 91 1.046 3.434 -2.450 1.00 0.00 C ATOM 0 H MET A 91 3.396 6.274 -5.961 1.00 0.00 H new ATOM 0 HA MET A 91 0.670 5.939 -5.280 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.063 7.186 -3.799 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.591 6.669 -3.001 1.00 0.00 H new ATOM 0 HG2 MET A 91 3.623 4.919 -4.462 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.181 4.851 -2.768 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.686 2.406 -2.404 1.00 0.00 H new ATOM 0 HE2 MET A 91 1.923 3.540 -1.812 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.263 4.109 -2.105 1.00 0.00 H new ATOM 1237 N GLY A 92 1.556 9.089 -5.423 1.00 0.00 N ATOM 1238 CA GLY A 92 0.976 10.462 -5.435 1.00 0.00 C ATOM 1239 C GLY A 92 -0.220 10.520 -6.383 1.00 0.00 C ATOM 1240 O GLY A 92 -1.224 11.140 -6.091 1.00 0.00 O ATOM 0 H GLY A 92 2.554 9.038 -5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.666 10.743 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.733 11.182 -5.748 1.00 0.00 H new ATOM 1244 N GLN A 93 -0.128 9.881 -7.514 1.00 0.00 N ATOM 1245 CA GLN A 93 -1.276 9.909 -8.468 1.00 0.00 C ATOM 1246 C GLN A 93 -2.440 9.128 -7.876 1.00 0.00 C ATOM 1247 O GLN A 93 -3.574 9.565 -7.888 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.785 9.221 -9.742 1.00 0.00 C ATOM 1249 CG GLN A 93 0.597 9.745 -10.116 1.00 0.00 C ATOM 1250 CD GLN A 93 0.546 10.377 -11.509 1.00 0.00 C ATOM 1251 OE1 GLN A 93 -0.486 10.378 -12.151 1.00 0.00 O ATOM 1252 NE2 GLN A 93 1.625 10.918 -12.007 1.00 0.00 N ATOM 0 H GLN A 93 0.684 9.344 -7.820 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.613 10.926 -8.670 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.746 8.142 -9.591 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.485 9.403 -10.557 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.929 10.481 -9.384 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.322 8.931 -10.101 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.491 10.917 -11.468 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.602 11.341 -12.935 1.00 0.00 H new ATOM 1261 N LEU A 94 -2.162 7.970 -7.356 1.00 0.00 N ATOM 1262 CA LEU A 94 -3.244 7.147 -6.757 1.00 0.00 C ATOM 1263 C LEU A 94 -3.958 7.935 -5.660 1.00 0.00 C ATOM 1264 O LEU A 94 -5.065 7.628 -5.283 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.528 5.915 -6.195 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.348 6.023 -4.678 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.637 5.588 -3.982 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -1.203 5.111 -4.245 1.00 0.00 C ATOM 0 H LEU A 94 -1.230 7.556 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.013 6.867 -7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.100 5.018 -6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.554 5.808 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.120 7.054 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.511 5.664 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.457 6.233 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.864 4.556 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.069 5.183 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.437 4.081 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.285 5.417 -4.746 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.332 8.940 -5.132 1.00 0.00 N ATOM 1281 CA TYR A 95 -3.997 9.716 -4.055 1.00 0.00 C ATOM 1282 C TYR A 95 -5.425 10.081 -4.482 1.00 0.00 C ATOM 1283 O TYR A 95 -6.376 9.808 -3.784 1.00 0.00 O ATOM 1284 CB TYR A 95 -3.140 10.971 -3.883 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.113 11.348 -2.426 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -2.719 10.403 -1.475 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.488 12.634 -2.024 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -2.699 10.742 -0.117 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.466 12.977 -0.667 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.073 12.031 0.287 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.056 12.369 1.625 1.00 0.00 O ATOM 0 H TYR A 95 -2.399 9.257 -5.394 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.078 9.156 -3.123 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.128 10.788 -4.244 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.547 11.790 -4.477 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.430 9.411 -1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.794 13.362 -2.760 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.396 10.011 0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.752 13.971 -0.356 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.342 13.300 1.731 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.588 10.687 -5.623 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.964 11.056 -6.080 1.00 0.00 C ATOM 1303 C GLN A 96 -7.785 9.809 -6.446 1.00 0.00 C ATOM 1304 O GLN A 96 -8.996 9.859 -6.531 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.742 11.928 -7.317 1.00 0.00 C ATOM 1306 CG GLN A 96 -8.003 12.749 -7.597 1.00 0.00 C ATOM 1307 CD GLN A 96 -7.681 13.850 -8.610 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -8.289 13.922 -9.659 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -6.743 14.717 -8.338 1.00 0.00 N ATOM 0 H GLN A 96 -4.834 10.944 -6.260 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.523 11.570 -5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.891 12.591 -7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.504 11.303 -8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.792 12.104 -7.984 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.376 13.189 -6.672 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.232 14.656 -7.457 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.521 15.455 -9.007 1.00 0.00 H new ATOM 1318 N GLU A 97 -7.136 8.706 -6.707 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.881 7.472 -7.121 1.00 0.00 C ATOM 1320 C GLU A 97 -8.346 6.607 -5.934 1.00 0.00 C ATOM 1321 O GLU A 97 -9.525 6.370 -5.760 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.884 6.690 -7.975 1.00 0.00 C ATOM 1323 CG GLU A 97 -7.089 7.043 -9.449 1.00 0.00 C ATOM 1324 CD GLU A 97 -7.590 5.810 -10.205 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -7.216 4.714 -9.823 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -8.337 5.985 -11.153 1.00 0.00 O ATOM 0 H GLU A 97 -6.123 8.602 -6.653 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.796 7.742 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.864 6.927 -7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.021 5.619 -7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.808 7.857 -9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.153 7.393 -9.884 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.437 6.078 -5.156 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.836 5.174 -4.043 1.00 0.00 C ATOM 1335 C HIS A 98 -7.898 5.894 -2.689 1.00 0.00 C ATOM 1336 O HIS A 98 -7.594 5.319 -1.658 1.00 0.00 O ATOM 1337 CB HIS A 98 -6.729 4.128 -4.037 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.587 3.549 -5.417 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -7.650 3.475 -6.303 1.00 0.00 N ATOM 1340 CD2 HIS A 98 -5.512 3.012 -6.075 1.00 0.00 C ATOM 1341 CE1 HIS A 98 -7.193 2.911 -7.436 1.00 0.00 C ATOM 1342 NE2 HIS A 98 -5.895 2.609 -7.350 1.00 0.00 N ATOM 0 H HIS A 98 -6.433 6.235 -5.246 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.836 4.766 -4.188 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.788 4.579 -3.720 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -6.961 3.340 -3.321 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.517 2.916 -5.666 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.802 2.725 -8.309 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.310 2.176 -8.065 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.314 7.128 -2.672 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.420 7.855 -1.368 1.00 0.00 C ATOM 1352 C HIS A 99 -9.836 7.695 -0.788 1.00 0.00 C ATOM 1353 O HIS A 99 -10.734 7.206 -1.443 1.00 0.00 O ATOM 1354 CB HIS A 99 -8.106 9.330 -1.671 1.00 0.00 C ATOM 1355 CG HIS A 99 -8.928 9.846 -2.830 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -9.983 9.138 -3.386 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -8.859 11.022 -3.536 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -10.501 9.889 -4.375 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -9.852 11.046 -4.510 1.00 0.00 N ATOM 0 H HIS A 99 -8.585 7.666 -3.496 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.727 7.459 -0.626 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.304 9.934 -0.786 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.046 9.438 -1.899 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -10.307 8.215 -3.097 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.141 11.810 -3.361 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.341 9.591 -4.985 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.256 10.319 3.498 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.386 9.116 3.359 1.00 0.00 C ATOM 1431 C PHE A 104 -5.982 8.133 2.348 1.00 0.00 C ATOM 1432 O PHE A 104 -7.145 8.205 2.002 1.00 0.00 O ATOM 1433 CB PHE A 104 -5.345 8.494 4.755 1.00 0.00 C ATOM 1434 CG PHE A 104 -6.723 8.002 5.129 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -7.213 6.811 4.581 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -7.509 8.736 6.026 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -8.490 6.354 4.929 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -8.786 8.278 6.374 1.00 0.00 C ATOM 1439 CZ PHE A 104 -9.276 7.087 5.826 1.00 0.00 C ATOM 0 HA PHE A 104 -4.391 9.371 2.995 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.634 7.668 4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.000 9.229 5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.606 6.245 3.890 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.131 9.655 6.449 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.869 5.436 4.505 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -9.393 8.844 7.065 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.260 6.734 6.095 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.187 7.211 1.878 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.690 6.210 0.889 1.00 0.00 C ATOM 1451 C LEU A 105 -5.589 4.803 1.493 1.00 0.00 C ATOM 1452 O LEU A 105 -4.961 4.616 2.510 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.773 6.386 -0.336 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.668 5.323 -0.358 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -4.150 4.107 -1.150 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.420 5.902 -1.027 1.00 0.00 C ATOM 0 H LEU A 105 -4.206 7.106 2.136 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.736 6.349 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.364 6.319 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.325 7.380 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.429 5.023 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.366 3.350 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.042 3.695 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.386 4.408 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.633 5.148 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.659 6.199 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.077 6.772 -0.467 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.207 3.815 0.893 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.129 2.443 1.472 1.00 0.00 C ATOM 1470 C TYR A 106 -5.628 1.420 0.443 1.00 0.00 C ATOM 1471 O TYR A 106 -6.085 1.378 -0.682 1.00 0.00 O ATOM 1472 CB TYR A 106 -7.561 2.108 1.895 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.547 2.627 0.875 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.922 3.976 0.885 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -9.089 1.758 -0.078 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -9.839 4.454 -0.058 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -10.007 2.236 -1.021 1.00 0.00 C ATOM 1478 CZ TYR A 106 -10.382 3.584 -1.011 1.00 0.00 C ATOM 1479 OH TYR A 106 -11.286 4.057 -1.941 1.00 0.00 O ATOM 0 H TYR A 106 -6.755 3.900 0.037 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.425 2.406 2.304 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.672 1.029 2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.771 2.548 2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.504 4.647 1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.799 0.718 -0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.128 5.495 -0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.426 1.564 -1.756 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.208 3.536 -2.767 1.00 0.00 H new ATOM 1489 N ILE A 107 -4.701 0.581 0.836 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.174 -0.461 -0.098 1.00 0.00 C ATOM 1491 C ILE A 107 -3.941 -1.769 0.663 1.00 0.00 C ATOM 1492 O ILE A 107 -3.591 -1.762 1.827 1.00 0.00 O ATOM 1493 CB ILE A 107 -2.842 0.082 -0.616 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -2.985 1.568 -0.947 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -2.433 -0.683 -1.877 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.717 2.057 -1.651 1.00 0.00 C ATOM 0 H ILE A 107 -4.285 0.574 1.767 1.00 0.00 H new ATOM 0 HA ILE A 107 -4.871 -0.666 -0.911 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.079 -0.046 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.853 1.727 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.151 2.141 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.483 -0.295 -2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.326 -1.742 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -3.198 -0.557 -2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.818 3.116 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.858 1.911 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.571 1.492 -2.572 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.125 -2.891 0.023 1.00 0.00 N ATOM 1509 CA ALA A 108 -3.902 -4.188 0.725 1.00 0.00 C ATOM 1510 C ALA A 108 -3.214 -5.182 -0.206 1.00 0.00 C ATOM 1511 O ALA A 108 -2.964 -4.893 -1.355 1.00 0.00 O ATOM 1512 CB ALA A 108 -5.298 -4.682 1.104 1.00 0.00 C ATOM 0 H ALA A 108 -4.419 -2.967 -0.951 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.260 -4.078 1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.217 -5.635 1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.778 -3.951 1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -5.895 -4.812 0.202 1.00 0.00 H new ATOM 1518 N TYR A 109 -2.903 -6.352 0.280 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.234 -7.359 -0.596 1.00 0.00 C ATOM 1520 C TYR A 109 -2.731 -8.768 -0.273 1.00 0.00 C ATOM 1521 O TYR A 109 -3.447 -8.985 0.686 1.00 0.00 O ATOM 1522 CB TYR A 109 -0.731 -7.242 -0.313 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.487 -6.950 1.149 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -0.714 -5.664 1.652 1.00 0.00 C ATOM 1525 CD2 TYR A 109 -0.023 -7.963 1.998 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.478 -5.390 3.003 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.213 -7.688 3.350 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.014 -6.402 3.852 1.00 0.00 C ATOM 1529 OH TYR A 109 0.219 -6.130 5.185 1.00 0.00 O ATOM 0 H TYR A 109 -3.081 -6.654 1.238 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.455 -7.176 -1.648 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.229 -8.168 -0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.301 -6.449 -0.925 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.071 -4.883 0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.153 -8.955 1.610 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -0.654 -4.398 3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.570 -8.468 4.006 1.00 0.00 H new ATOM 0 HH TYR A 109 -0.389 -5.423 5.486 1.00 0.00 H new ATOM 1539 N SER A 110 -2.360 -9.726 -1.076 1.00 0.00 N ATOM 1540 CA SER A 110 -2.810 -11.126 -0.830 1.00 0.00 C ATOM 1541 C SER A 110 -1.885 -12.113 -1.549 1.00 0.00 C ATOM 1542 O SER A 110 -0.892 -11.733 -2.138 1.00 0.00 O ATOM 1543 CB SER A 110 -4.221 -11.191 -1.412 1.00 0.00 C ATOM 1544 OG SER A 110 -4.958 -12.209 -0.746 1.00 0.00 O ATOM 0 H SER A 110 -1.763 -9.600 -1.894 1.00 0.00 H new ATOM 0 HA SER A 110 -2.791 -11.389 0.228 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.720 -10.229 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.177 -11.399 -2.481 1.00 0.00 H new ATOM 0 HG SER A 110 -5.864 -12.252 -1.116 1.00 0.00 H new ATOM 1550 N ASP A 111 -2.209 -13.377 -1.507 1.00 0.00 N ATOM 1551 CA ASP A 111 -1.356 -14.393 -2.190 1.00 0.00 C ATOM 1552 C ASP A 111 -2.215 -15.276 -3.098 1.00 0.00 C ATOM 1553 O ASP A 111 -1.830 -16.370 -3.460 1.00 0.00 O ATOM 1554 CB ASP A 111 -0.748 -15.224 -1.059 1.00 0.00 C ATOM 1555 CG ASP A 111 0.461 -15.999 -1.587 1.00 0.00 C ATOM 1556 OD1 ASP A 111 0.255 -16.954 -2.316 1.00 0.00 O ATOM 1557 OD2 ASP A 111 1.572 -15.625 -1.250 1.00 0.00 O ATOM 0 H ASP A 111 -3.029 -13.751 -1.029 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.591 -13.936 -2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.446 -14.574 -0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.491 -15.915 -0.662 1.00 0.00 H new