USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 716 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 96 ASN : amide:sc= -7.41! C(o=-10!,f=-15!) USER MOD Set 1.2: A 98 HIS :FLIP no HD1:sc= -2.81 F(o=-12!,f=-10) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -125:sc= -2.76! (180deg=-3.39!) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 52 TYR OH : rot -150:sc= -0.49 USER MOD Set 3.2: A 75 MET CE :methyl 170:sc= -1.83 (180deg=-2.2!) USER MOD Set 4.1: A 70 SER OG : rot -105:sc= 0.204 USER MOD Set 4.2: A 71 HIS : no HD1:sc= 0.139 X(o=0.34,f=-0.044) USER MOD Set 5.1: A 53 SER OG : rot 125:sc= 0.121 USER MOD Set 5.2: A 68 ASN : amide:sc= -0.061 X(o=0.17,f=0.17) USER MOD Set 5.3: A 95 GLN :FLIP amide:sc= 0.112 F(o=-0.36,f=0.17) USER MOD Set 6.1: A 19 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 43 SER OG : rot 180:sc= -0.0383 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -166:sc= 1.01 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.708 USER MOD Single : A 40 THR OG1 : rot 178:sc= 0.447 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00961 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -141:sc= -1.84 (180deg=-3.98!) USER MOD Single : A 69 THR OG1 : rot 104:sc= 1.25 USER MOD Single : A 76 GLN : amide:sc= -1.32 K(o=-1.3,f=-6.3!) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 81 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.38) USER MOD Single : A 83 MET CE :methyl 150:sc= -0.256 (180deg=-0.943) USER MOD Single : A 86 THR OG1 : rot 64:sc= 0.551 USER MOD Single : A 88 TYR OH : rot 30:sc= -0.125 USER MOD Single : A 93 MET CE :methyl 142:sc= -0.218 (180deg=-1.67) USER MOD Single : A 97 LYS NZ :NH3+ 150:sc= -0.122 (180deg=-0.855) USER MOD Single : A 100 SER OG : rot 39:sc= 0.367 USER MOD Single : A 103 SER OG : rot 26:sc= 0.628 USER MOD Single : A 104 SER OG : rot 161:sc= 0.334 USER MOD Single : A 111 THR OG1 : rot -159:sc= 1.95 USER MOD Single : A 112 GLN : amide:sc= 0.745 K(o=0.74,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 182 N LEU A 17 15.715 11.393 -5.607 1.00 0.00 N ATOM 183 CA LEU A 17 14.309 11.010 -5.539 1.00 0.00 C ATOM 184 C LEU A 17 13.877 10.781 -4.094 1.00 0.00 C ATOM 185 O LEU A 17 14.683 10.452 -3.224 1.00 0.00 O ATOM 186 CB LEU A 17 14.064 9.745 -6.363 1.00 0.00 C ATOM 187 CG LEU A 17 14.096 9.917 -7.882 1.00 0.00 C ATOM 188 CD1 LEU A 17 14.212 8.565 -8.570 1.00 0.00 C ATOM 189 CD2 LEU A 17 12.855 10.656 -8.361 1.00 0.00 C ATOM 0 HA LEU A 17 13.715 11.825 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.814 9.004 -6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.093 9.336 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 17 14.972 10.511 -8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.233 8.707 -9.650 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.130 8.072 -8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.356 7.946 -8.302 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.895 10.770 -9.444 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.965 10.088 -8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.815 11.640 -7.894 1.00 0.00 H new ATOM 201 N PRO A 18 12.573 10.956 -3.832 1.00 0.00 N ATOM 202 CA PRO A 18 12.003 10.770 -2.494 1.00 0.00 C ATOM 203 C PRO A 18 11.994 9.307 -2.065 1.00 0.00 C ATOM 204 O PRO A 18 12.521 8.442 -2.764 1.00 0.00 O ATOM 205 CB PRO A 18 10.572 11.294 -2.642 1.00 0.00 C ATOM 206 CG PRO A 18 10.258 11.133 -4.089 1.00 0.00 C ATOM 207 CD PRO A 18 11.555 11.347 -4.821 1.00 0.00 C ATOM 0 HA PRO A 18 12.583 11.286 -1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.877 10.729 -2.021 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.498 12.337 -2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.854 10.141 -4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.506 11.855 -4.408 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.614 10.736 -5.721 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.674 12.385 -5.132 1.00 0.00 H new ATOM 215 N SER A 19 11.390 9.037 -0.912 1.00 0.00 N ATOM 216 CA SER A 19 11.315 7.678 -0.389 1.00 0.00 C ATOM 217 C SER A 19 9.869 7.287 -0.098 1.00 0.00 C ATOM 218 O SER A 19 9.048 8.129 0.264 1.00 0.00 O ATOM 219 CB SER A 19 12.155 7.551 0.883 1.00 0.00 C ATOM 220 OG SER A 19 11.411 7.934 2.027 1.00 0.00 O ATOM 0 H SER A 19 10.946 9.741 -0.323 1.00 0.00 H new ATOM 0 HA SER A 19 11.711 7.001 -1.146 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.497 6.522 0.995 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.045 8.175 0.799 1.00 0.00 H new ATOM 0 HG SER A 19 11.970 7.842 2.827 1.00 0.00 H new ATOM 226 N ALA A 20 9.566 6.003 -0.259 1.00 0.00 N ATOM 227 CA ALA A 20 8.221 5.499 -0.012 1.00 0.00 C ATOM 228 C ALA A 20 7.756 5.843 1.400 1.00 0.00 C ATOM 229 O ALA A 20 8.555 5.976 2.327 1.00 0.00 O ATOM 230 CB ALA A 20 8.172 3.995 -0.234 1.00 0.00 C ATOM 0 H ALA A 20 10.234 5.293 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 20 7.544 5.981 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.162 3.632 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.453 3.770 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.867 3.504 0.448 1.00 0.00 H new ATOM 236 N PRO A 21 6.434 5.992 1.568 1.00 0.00 N ATOM 237 CA PRO A 21 5.833 6.323 2.864 1.00 0.00 C ATOM 238 C PRO A 21 5.929 5.171 3.858 1.00 0.00 C ATOM 239 O PRO A 21 6.201 4.032 3.478 1.00 0.00 O ATOM 240 CB PRO A 21 4.371 6.608 2.515 1.00 0.00 C ATOM 241 CG PRO A 21 4.123 5.839 1.263 1.00 0.00 C ATOM 242 CD PRO A 21 5.423 5.849 0.507 1.00 0.00 C ATOM 0 HA PRO A 21 6.340 7.158 3.347 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.703 6.288 3.315 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.200 7.674 2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.810 4.819 1.487 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.326 6.296 0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.564 4.930 -0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.468 6.674 -0.204 1.00 0.00 H new ATOM 250 N ARG A 22 5.704 5.475 5.132 1.00 0.00 N ATOM 251 CA ARG A 22 5.766 4.464 6.181 1.00 0.00 C ATOM 252 C ARG A 22 4.393 4.249 6.810 1.00 0.00 C ATOM 253 O ARG A 22 3.406 4.854 6.393 1.00 0.00 O ATOM 254 CB ARG A 22 6.773 4.876 7.257 1.00 0.00 C ATOM 255 CG ARG A 22 7.968 5.640 6.712 1.00 0.00 C ATOM 256 CD ARG A 22 8.660 6.443 7.802 1.00 0.00 C ATOM 257 NE ARG A 22 8.024 7.741 8.013 1.00 0.00 N ATOM 258 CZ ARG A 22 8.635 8.774 8.582 1.00 0.00 C ATOM 259 NH1 ARG A 22 9.889 8.662 8.995 1.00 0.00 N ATOM 260 NH2 ARG A 22 7.989 9.923 8.739 1.00 0.00 N ATOM 0 H ARG A 22 5.477 6.413 5.463 1.00 0.00 H new ATOM 0 HA ARG A 22 6.091 3.527 5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.266 5.492 8.000 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.127 3.983 7.772 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.677 4.941 6.268 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.641 6.310 5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.646 5.877 8.733 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.706 6.591 7.534 1.00 0.00 H new ATOM 0 HE ARG A 22 7.058 7.861 7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.388 7.780 8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.355 9.457 9.432 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.023 10.013 8.423 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.458 10.716 9.176 1.00 0.00 H new ATOM 274 N ASP A 23 4.338 3.382 7.816 1.00 0.00 N ATOM 275 CA ASP A 23 3.086 3.087 8.503 1.00 0.00 C ATOM 276 C ASP A 23 1.996 2.703 7.507 1.00 0.00 C ATOM 277 O ASP A 23 0.823 3.021 7.701 1.00 0.00 O ATOM 278 CB ASP A 23 2.637 4.293 9.330 1.00 0.00 C ATOM 279 CG ASP A 23 1.575 3.933 10.350 1.00 0.00 C ATOM 280 OD1 ASP A 23 0.816 2.973 10.102 1.00 0.00 O ATOM 281 OD2 ASP A 23 1.502 4.611 11.396 1.00 0.00 O ATOM 0 H ASP A 23 5.146 2.872 8.173 1.00 0.00 H new ATOM 0 HA ASP A 23 3.257 2.242 9.170 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.499 4.719 9.843 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.250 5.063 8.663 1.00 0.00 H new ATOM 286 N VAL A 24 2.393 2.019 6.439 1.00 0.00 N ATOM 287 CA VAL A 24 1.450 1.591 5.412 1.00 0.00 C ATOM 288 C VAL A 24 0.483 0.545 5.954 1.00 0.00 C ATOM 289 O VAL A 24 0.842 -0.621 6.120 1.00 0.00 O ATOM 290 CB VAL A 24 2.181 1.013 4.186 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.180 0.506 3.158 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.104 2.056 3.575 1.00 0.00 C ATOM 0 H VAL A 24 3.361 1.749 6.262 1.00 0.00 H new ATOM 0 HA VAL A 24 0.890 2.475 5.108 1.00 0.00 H new ATOM 0 HB VAL A 24 2.790 0.170 4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.714 0.101 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.565 -0.276 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.543 1.329 2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.612 1.630 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.519 2.921 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.843 2.365 4.314 1.00 0.00 H new ATOM 302 N VAL A 25 -0.746 0.969 6.230 1.00 0.00 N ATOM 303 CA VAL A 25 -1.766 0.068 6.752 1.00 0.00 C ATOM 304 C VAL A 25 -3.099 0.275 6.040 1.00 0.00 C ATOM 305 O VAL A 25 -3.274 1.240 5.297 1.00 0.00 O ATOM 306 CB VAL A 25 -1.969 0.268 8.266 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.666 0.036 9.015 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.518 1.658 8.551 1.00 0.00 C ATOM 0 H VAL A 25 -1.059 1.931 6.101 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.414 -0.948 6.571 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.697 -0.464 8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.829 0.182 10.083 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.320 -0.982 8.836 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.086 0.742 8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.655 1.782 9.625 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.817 2.408 8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.476 1.781 8.046 1.00 0.00 H new ATOM 318 N ALA A 26 -4.036 -0.638 6.274 1.00 0.00 N ATOM 319 CA ALA A 26 -5.354 -0.555 5.657 1.00 0.00 C ATOM 320 C ALA A 26 -6.403 -0.096 6.663 1.00 0.00 C ATOM 321 O ALA A 26 -6.877 -0.883 7.483 1.00 0.00 O ATOM 322 CB ALA A 26 -5.743 -1.900 5.061 1.00 0.00 C ATOM 0 H ALA A 26 -3.907 -1.443 6.886 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.308 0.184 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.729 -1.824 4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.013 -2.187 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.765 -2.654 5.848 1.00 0.00 H new ATOM 328 N SER A 27 -6.761 1.182 6.597 1.00 0.00 N ATOM 329 CA SER A 27 -7.752 1.747 7.506 1.00 0.00 C ATOM 330 C SER A 27 -9.028 0.911 7.505 1.00 0.00 C ATOM 331 O SER A 27 -9.802 0.937 8.463 1.00 0.00 O ATOM 332 CB SER A 27 -8.073 3.190 7.112 1.00 0.00 C ATOM 333 OG SER A 27 -9.269 3.633 7.729 1.00 0.00 O ATOM 0 H SER A 27 -6.380 1.846 5.923 1.00 0.00 H new ATOM 0 HA SER A 27 -7.333 1.738 8.512 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.248 3.841 7.401 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.171 3.261 6.029 1.00 0.00 H new ATOM 0 HG SER A 27 -9.451 4.558 7.463 1.00 0.00 H new ATOM 339 N LEU A 28 -9.243 0.171 6.423 1.00 0.00 N ATOM 340 CA LEU A 28 -10.426 -0.673 6.296 1.00 0.00 C ATOM 341 C LEU A 28 -10.306 -1.600 5.090 1.00 0.00 C ATOM 342 O LEU A 28 -9.619 -1.285 4.118 1.00 0.00 O ATOM 343 CB LEU A 28 -11.681 0.190 6.167 1.00 0.00 C ATOM 344 CG LEU A 28 -12.889 -0.475 5.505 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.175 0.223 5.918 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.738 -0.468 3.991 1.00 0.00 C ATOM 0 H LEU A 28 -8.614 0.138 5.621 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.504 -1.284 7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.974 0.520 7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.426 1.084 5.597 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.939 -1.511 5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.024 -0.264 5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.289 0.165 7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.136 1.269 5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.606 -0.945 3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.662 0.560 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.837 -1.014 3.713 1.00 0.00 H new ATOM 358 N VAL A 29 -10.980 -2.743 5.159 1.00 0.00 N ATOM 359 CA VAL A 29 -10.953 -3.714 4.072 1.00 0.00 C ATOM 360 C VAL A 29 -12.364 -4.075 3.621 1.00 0.00 C ATOM 361 O VAL A 29 -13.051 -4.864 4.269 1.00 0.00 O ATOM 362 CB VAL A 29 -10.214 -5.000 4.487 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.405 -6.088 3.441 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.736 -4.717 4.710 1.00 0.00 C ATOM 0 H VAL A 29 -11.552 -3.020 5.957 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.419 -3.247 3.244 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.638 -5.354 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.876 -6.989 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.467 -6.309 3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.009 -5.747 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.230 -5.637 5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.295 -4.337 3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.623 -3.974 5.499 1.00 0.00 H new ATOM 374 N SER A 30 -12.790 -3.491 2.506 1.00 0.00 N ATOM 375 CA SER A 30 -14.121 -3.748 1.969 1.00 0.00 C ATOM 376 C SER A 30 -14.113 -4.972 1.058 1.00 0.00 C ATOM 377 O SER A 30 -13.055 -5.440 0.637 1.00 0.00 O ATOM 378 CB SER A 30 -14.627 -2.528 1.197 1.00 0.00 C ATOM 379 OG SER A 30 -15.701 -2.875 0.340 1.00 0.00 O ATOM 0 H SER A 30 -12.233 -2.837 1.957 1.00 0.00 H new ATOM 0 HA SER A 30 -14.791 -3.944 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.951 -1.759 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.813 -2.102 0.611 1.00 0.00 H new ATOM 0 HG SER A 30 -15.856 -2.149 -0.300 1.00 0.00 H new ATOM 385 N THR A 31 -15.301 -5.487 0.759 1.00 0.00 N ATOM 386 CA THR A 31 -15.432 -6.657 -0.100 1.00 0.00 C ATOM 387 C THR A 31 -15.221 -6.291 -1.565 1.00 0.00 C ATOM 388 O THR A 31 -14.827 -7.131 -2.374 1.00 0.00 O ATOM 389 CB THR A 31 -16.815 -7.318 0.058 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.847 -6.374 -0.249 1.00 0.00 O ATOM 391 CG2 THR A 31 -17.005 -7.842 1.473 1.00 0.00 C ATOM 0 H THR A 31 -16.187 -5.112 1.099 1.00 0.00 H new ATOM 0 HA THR A 31 -14.662 -7.364 0.209 1.00 0.00 H new ATOM 0 HB THR A 31 -16.874 -8.158 -0.635 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.723 -6.802 -0.148 1.00 0.00 H new ATOM 0 HG21 THR A 31 -17.988 -8.304 1.561 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.235 -8.582 1.694 1.00 0.00 H new ATOM 0 HG23 THR A 31 -16.928 -7.016 2.180 1.00 0.00 H new ATOM 399 N ARG A 32 -15.486 -5.032 -1.899 1.00 0.00 N ATOM 400 CA ARG A 32 -15.325 -4.555 -3.267 1.00 0.00 C ATOM 401 C ARG A 32 -14.184 -3.547 -3.361 1.00 0.00 C ATOM 402 O ARG A 32 -13.838 -3.084 -4.448 1.00 0.00 O ATOM 403 CB ARG A 32 -16.625 -3.918 -3.764 1.00 0.00 C ATOM 404 CG ARG A 32 -17.726 -4.926 -4.050 1.00 0.00 C ATOM 405 CD ARG A 32 -18.857 -4.302 -4.853 1.00 0.00 C ATOM 406 NE ARG A 32 -18.618 -4.384 -6.291 1.00 0.00 N ATOM 407 CZ ARG A 32 -18.588 -5.527 -6.967 1.00 0.00 C ATOM 408 NH1 ARG A 32 -18.782 -6.678 -6.338 1.00 0.00 N ATOM 409 NH2 ARG A 32 -18.365 -5.520 -8.275 1.00 0.00 N ATOM 0 H ARG A 32 -15.813 -4.324 -1.241 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.083 -5.411 -3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.980 -3.207 -3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.418 -3.351 -4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.313 -5.772 -4.599 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -18.117 -5.316 -3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.793 -4.806 -4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.973 -3.257 -4.564 1.00 0.00 H new ATOM 0 HE ARG A 32 -18.466 -3.516 -6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -18.955 -6.687 -5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -18.758 -7.554 -6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.216 -4.636 -8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -18.342 -6.398 -8.793 1.00 0.00 H new ATOM 423 N PHE A 33 -13.603 -3.210 -2.214 1.00 0.00 N ATOM 424 CA PHE A 33 -12.502 -2.256 -2.166 1.00 0.00 C ATOM 425 C PHE A 33 -11.718 -2.395 -0.865 1.00 0.00 C ATOM 426 O PHE A 33 -12.036 -3.235 -0.022 1.00 0.00 O ATOM 427 CB PHE A 33 -13.031 -0.827 -2.306 1.00 0.00 C ATOM 428 CG PHE A 33 -13.526 -0.242 -1.014 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.652 0.390 -0.145 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.865 -0.325 -0.669 1.00 0.00 C ATOM 431 CE1 PHE A 33 -13.104 0.930 1.045 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.323 0.213 0.519 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.441 0.840 1.377 1.00 0.00 C ATOM 0 H PHE A 33 -13.877 -3.584 -1.305 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.832 -2.471 -2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.239 -0.192 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.842 -0.818 -3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.605 0.462 -0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.559 -0.816 -1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.412 1.421 1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.370 0.143 0.776 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.797 1.259 2.307 1.00 0.00 H new ATOM 443 N ILE A 34 -10.691 -1.566 -0.708 1.00 0.00 N ATOM 444 CA ILE A 34 -9.862 -1.596 0.490 1.00 0.00 C ATOM 445 C ILE A 34 -9.312 -0.210 0.813 1.00 0.00 C ATOM 446 O ILE A 34 -8.689 0.435 -0.030 1.00 0.00 O ATOM 447 CB ILE A 34 -8.686 -2.579 0.337 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.200 -3.965 -0.059 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.887 -2.654 1.629 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.100 -4.933 -0.432 1.00 0.00 C ATOM 0 H ILE A 34 -10.414 -0.866 -1.396 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.501 -1.931 1.307 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.029 -2.216 -0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.774 -4.381 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.884 -3.863 -0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.060 -3.353 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.495 -1.666 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.533 -2.997 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.537 -5.894 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.540 -4.539 -1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.428 -5.065 0.416 1.00 0.00 H new ATOM 462 N LYS A 35 -9.546 0.241 2.041 1.00 0.00 N ATOM 463 CA LYS A 35 -9.073 1.549 2.479 1.00 0.00 C ATOM 464 C LYS A 35 -7.623 1.474 2.946 1.00 0.00 C ATOM 465 O LYS A 35 -7.280 0.668 3.812 1.00 0.00 O ATOM 466 CB LYS A 35 -9.957 2.083 3.608 1.00 0.00 C ATOM 467 CG LYS A 35 -9.668 3.528 3.976 1.00 0.00 C ATOM 468 CD LYS A 35 -10.480 4.493 3.128 1.00 0.00 C ATOM 469 CE LYS A 35 -9.756 5.817 2.943 1.00 0.00 C ATOM 470 NZ LYS A 35 -8.793 5.769 1.808 1.00 0.00 N ATOM 0 H LYS A 35 -10.061 -0.280 2.751 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.128 2.231 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.002 1.994 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.821 1.458 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.895 3.688 5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.605 3.732 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.677 4.046 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.447 4.669 3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.485 6.608 2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.224 6.071 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.848 6.047 2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.755 4.803 1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.103 6.424 1.062 1.00 0.00 H new ATOM 484 N LEU A 36 -6.776 2.320 2.370 1.00 0.00 N ATOM 485 CA LEU A 36 -5.362 2.351 2.730 1.00 0.00 C ATOM 486 C LEU A 36 -5.019 3.633 3.482 1.00 0.00 C ATOM 487 O LEU A 36 -5.706 4.647 3.349 1.00 0.00 O ATOM 488 CB LEU A 36 -4.494 2.234 1.475 1.00 0.00 C ATOM 489 CG LEU A 36 -4.118 0.815 1.049 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.279 0.140 2.123 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.367 -0.002 0.753 1.00 0.00 C ATOM 0 H LEU A 36 -7.043 2.993 1.652 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.160 1.503 3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.019 2.713 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.576 2.798 1.639 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.524 0.875 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.021 -0.869 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.367 0.714 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.848 0.091 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.080 -1.009 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.988 -0.054 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.929 0.471 -0.052 1.00 0.00 H new ATOM 503 N THR A 37 -3.951 3.582 4.271 1.00 0.00 N ATOM 504 CA THR A 37 -3.516 4.738 5.044 1.00 0.00 C ATOM 505 C THR A 37 -2.034 4.644 5.387 1.00 0.00 C ATOM 506 O THR A 37 -1.564 3.615 5.873 1.00 0.00 O ATOM 507 CB THR A 37 -4.325 4.881 6.347 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.372 3.625 7.034 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.740 5.359 6.056 1.00 0.00 C ATOM 0 H THR A 37 -3.371 2.752 4.392 1.00 0.00 H new ATOM 0 HA THR A 37 -3.687 5.616 4.421 1.00 0.00 H new ATOM 0 HB THR A 37 -3.831 5.621 6.976 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.887 3.724 7.862 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.292 5.452 6.991 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.702 6.328 5.559 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.241 4.639 5.409 1.00 0.00 H new ATOM 517 N TRP A 38 -1.303 5.723 5.133 1.00 0.00 N ATOM 518 CA TRP A 38 0.128 5.762 5.417 1.00 0.00 C ATOM 519 C TRP A 38 0.562 7.162 5.837 1.00 0.00 C ATOM 520 O TRP A 38 -0.120 8.145 5.549 1.00 0.00 O ATOM 521 CB TRP A 38 0.924 5.313 4.190 1.00 0.00 C ATOM 522 CG TRP A 38 0.648 6.138 2.969 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.239 7.321 2.629 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.289 5.842 1.929 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.726 7.778 1.440 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.213 6.888 0.989 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.184 4.793 1.698 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.999 6.915 -0.160 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.963 4.822 0.557 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.866 5.876 -0.361 1.00 0.00 C ATOM 0 H TRP A 38 -1.677 6.583 4.731 1.00 0.00 H new ATOM 0 HA TRP A 38 0.329 5.078 6.242 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.989 5.361 4.419 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.690 4.270 3.976 1.00 0.00 H new ATOM 0 HD1 TRP A 38 1.998 7.823 3.210 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.000 8.640 0.969 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.265 3.975 2.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.927 7.728 -0.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.659 4.018 0.370 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.488 5.868 -1.244 1.00 0.00 H new ATOM 541 N ARG A 39 1.700 7.244 6.518 1.00 0.00 N ATOM 542 CA ARG A 39 2.224 8.524 6.978 1.00 0.00 C ATOM 543 C ARG A 39 3.204 9.107 5.963 1.00 0.00 C ATOM 544 O ARG A 39 3.452 8.515 4.912 1.00 0.00 O ATOM 545 CB ARG A 39 2.914 8.360 8.333 1.00 0.00 C ATOM 546 CG ARG A 39 1.956 8.045 9.470 1.00 0.00 C ATOM 547 CD ARG A 39 2.594 8.308 10.825 1.00 0.00 C ATOM 548 NE ARG A 39 3.276 7.127 11.348 1.00 0.00 N ATOM 549 CZ ARG A 39 4.009 7.131 12.456 1.00 0.00 C ATOM 550 NH1 ARG A 39 4.154 8.249 13.154 1.00 0.00 N ATOM 551 NH2 ARG A 39 4.598 6.016 12.867 1.00 0.00 N ATOM 0 H ARG A 39 2.277 6.439 6.763 1.00 0.00 H new ATOM 0 HA ARG A 39 1.386 9.213 7.086 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.653 7.562 8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.456 9.276 8.569 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.056 8.651 9.367 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.647 7.002 9.408 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.306 9.128 10.737 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.827 8.626 11.531 1.00 0.00 H new ATOM 0 HE ARG A 39 3.184 6.251 10.834 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.702 9.108 12.841 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.717 8.250 14.004 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.488 5.154 12.332 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.161 6.020 13.718 1.00 0.00 H new ATOM 565 N THR A 40 3.759 10.271 6.285 1.00 0.00 N ATOM 566 CA THR A 40 4.710 10.935 5.402 1.00 0.00 C ATOM 567 C THR A 40 6.052 10.212 5.396 1.00 0.00 C ATOM 568 O THR A 40 6.506 9.689 6.414 1.00 0.00 O ATOM 569 CB THR A 40 4.931 12.402 5.816 1.00 0.00 C ATOM 570 OG1 THR A 40 5.017 12.501 7.242 1.00 0.00 O ATOM 571 CG2 THR A 40 3.801 13.284 5.307 1.00 0.00 C ATOM 0 H THR A 40 3.566 10.774 7.151 1.00 0.00 H new ATOM 0 HA THR A 40 4.282 10.909 4.400 1.00 0.00 H new ATOM 0 HB THR A 40 5.866 12.745 5.372 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.186 13.432 7.496 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.979 14.315 5.612 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.758 13.229 4.219 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.855 12.940 5.725 1.00 0.00 H new ATOM 579 N PRO A 41 6.703 10.180 4.224 1.00 0.00 N ATOM 580 CA PRO A 41 8.004 9.525 4.059 1.00 0.00 C ATOM 581 C PRO A 41 9.125 10.272 4.774 1.00 0.00 C ATOM 582 O PRO A 41 9.034 11.478 4.999 1.00 0.00 O ATOM 583 CB PRO A 41 8.224 9.552 2.544 1.00 0.00 C ATOM 584 CG PRO A 41 7.418 10.709 2.064 1.00 0.00 C ATOM 585 CD PRO A 41 6.220 10.783 2.970 1.00 0.00 C ATOM 0 HA PRO A 41 8.013 8.523 4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.279 9.676 2.299 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.896 8.622 2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.997 11.632 2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.115 10.570 1.026 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.892 11.812 3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.372 10.234 2.561 1.00 0.00 H new ATOM 593 N ALA A 42 10.181 9.547 5.127 1.00 0.00 N ATOM 594 CA ALA A 42 11.320 10.143 5.814 1.00 0.00 C ATOM 595 C ALA A 42 11.899 11.304 5.013 1.00 0.00 C ATOM 596 O ALA A 42 12.273 12.334 5.576 1.00 0.00 O ATOM 597 CB ALA A 42 12.390 9.092 6.071 1.00 0.00 C ATOM 0 H ALA A 42 10.271 8.547 4.949 1.00 0.00 H new ATOM 0 HA ALA A 42 10.972 10.534 6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.235 9.551 6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.977 8.296 6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.726 8.675 5.122 1.00 0.00 H new ATOM 603 N SER A 43 11.970 11.132 3.697 1.00 0.00 N ATOM 604 CA SER A 43 12.507 12.165 2.819 1.00 0.00 C ATOM 605 C SER A 43 11.619 13.405 2.832 1.00 0.00 C ATOM 606 O SER A 43 12.109 14.534 2.822 1.00 0.00 O ATOM 607 CB SER A 43 12.639 11.632 1.391 1.00 0.00 C ATOM 608 OG SER A 43 13.577 10.572 1.326 1.00 0.00 O ATOM 0 H SER A 43 11.662 10.287 3.215 1.00 0.00 H new ATOM 0 HA SER A 43 13.494 12.444 3.188 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.668 11.284 1.038 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.950 12.438 0.726 1.00 0.00 H new ATOM 0 HG SER A 43 13.641 10.248 0.403 1.00 0.00 H new ATOM 614 N ASP A 44 10.309 13.186 2.853 1.00 0.00 N ATOM 615 CA ASP A 44 9.350 14.284 2.868 1.00 0.00 C ATOM 616 C ASP A 44 8.362 14.128 4.020 1.00 0.00 C ATOM 617 O ASP A 44 7.375 13.397 3.929 1.00 0.00 O ATOM 618 CB ASP A 44 8.596 14.350 1.539 1.00 0.00 C ATOM 619 CG ASP A 44 9.400 15.035 0.451 1.00 0.00 C ATOM 620 OD1 ASP A 44 10.337 14.404 -0.082 1.00 0.00 O ATOM 621 OD2 ASP A 44 9.091 16.202 0.131 1.00 0.00 O ATOM 0 H ASP A 44 9.887 12.258 2.860 1.00 0.00 H new ATOM 0 HA ASP A 44 9.902 15.213 3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.342 13.340 1.218 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.657 14.884 1.684 1.00 0.00 H new ATOM 626 N PRO A 45 8.632 14.829 5.131 1.00 0.00 N ATOM 627 CA PRO A 45 7.779 14.784 6.322 1.00 0.00 C ATOM 628 C PRO A 45 6.435 15.469 6.099 1.00 0.00 C ATOM 629 O PRO A 45 5.530 15.368 6.928 1.00 0.00 O ATOM 630 CB PRO A 45 8.596 15.540 7.372 1.00 0.00 C ATOM 631 CG PRO A 45 9.475 16.451 6.585 1.00 0.00 C ATOM 632 CD PRO A 45 9.790 15.720 5.309 1.00 0.00 C ATOM 0 HA PRO A 45 7.533 13.761 6.608 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.950 16.100 8.048 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.183 14.856 7.985 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.973 17.397 6.380 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.386 16.686 7.135 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.901 16.407 4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.721 15.158 5.387 1.00 0.00 H new ATOM 640 N HIS A 46 6.310 16.165 4.974 1.00 0.00 N ATOM 641 CA HIS A 46 5.075 16.866 4.641 1.00 0.00 C ATOM 642 C HIS A 46 4.424 16.261 3.401 1.00 0.00 C ATOM 643 O HIS A 46 3.210 16.347 3.220 1.00 0.00 O ATOM 644 CB HIS A 46 5.353 18.352 4.412 1.00 0.00 C ATOM 645 CG HIS A 46 5.337 19.165 5.669 1.00 0.00 C ATOM 646 ND1 HIS A 46 4.213 19.316 6.454 1.00 0.00 N ATOM 647 CD2 HIS A 46 6.317 19.873 6.278 1.00 0.00 C ATOM 648 CE1 HIS A 46 4.502 20.083 7.490 1.00 0.00 C ATOM 649 NE2 HIS A 46 5.773 20.434 7.407 1.00 0.00 N ATOM 0 H HIS A 46 7.049 16.259 4.277 1.00 0.00 H new ATOM 0 HA HIS A 46 4.387 16.758 5.480 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.325 18.461 3.931 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.609 18.750 3.722 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.337 19.977 5.939 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.816 20.374 8.272 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.269 21.026 8.073 1.00 0.00 H new ATOM 658 N GLY A 47 5.241 15.649 2.549 1.00 0.00 N ATOM 659 CA GLY A 47 4.726 15.039 1.336 1.00 0.00 C ATOM 660 C GLY A 47 3.519 15.773 0.786 1.00 0.00 C ATOM 661 O GLY A 47 2.575 15.151 0.300 1.00 0.00 O ATOM 0 H GLY A 47 6.249 15.565 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.511 15.020 0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.456 14.003 1.540 1.00 0.00 H new ATOM 665 N ASP A 48 3.550 17.099 0.862 1.00 0.00 N ATOM 666 CA ASP A 48 2.450 17.919 0.368 1.00 0.00 C ATOM 667 C ASP A 48 2.711 18.372 -1.065 1.00 0.00 C ATOM 668 O ASP A 48 1.820 18.895 -1.733 1.00 0.00 O ATOM 669 CB ASP A 48 2.246 19.136 1.271 1.00 0.00 C ATOM 670 CG ASP A 48 0.806 19.608 1.291 1.00 0.00 C ATOM 671 OD1 ASP A 48 0.030 19.113 2.137 1.00 0.00 O ATOM 672 OD2 ASP A 48 0.454 20.473 0.462 1.00 0.00 O ATOM 0 H ASP A 48 4.325 17.629 1.261 1.00 0.00 H new ATOM 0 HA ASP A 48 1.544 17.312 0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.558 18.888 2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.887 19.949 0.930 1.00 0.00 H new ATOM 677 N ASN A 49 3.939 18.167 -1.531 1.00 0.00 N ATOM 678 CA ASN A 49 4.318 18.556 -2.884 1.00 0.00 C ATOM 679 C ASN A 49 4.586 17.328 -3.748 1.00 0.00 C ATOM 680 O ASN A 49 5.190 17.426 -4.817 1.00 0.00 O ATOM 681 CB ASN A 49 5.559 19.451 -2.851 1.00 0.00 C ATOM 682 CG ASN A 49 6.810 18.689 -2.458 1.00 0.00 C ATOM 683 OD1 ASN A 49 7.481 18.097 -3.304 1.00 0.00 O ATOM 684 ND2 ASN A 49 7.130 18.702 -1.169 1.00 0.00 N ATOM 0 H ASN A 49 4.688 17.734 -0.991 1.00 0.00 H new ATOM 0 HA ASN A 49 3.489 19.112 -3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.705 19.902 -3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.397 20.267 -2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.961 18.208 -0.845 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.544 19.206 -0.503 1.00 0.00 H new ATOM 691 N LEU A 50 4.132 16.171 -3.279 1.00 0.00 N ATOM 692 CA LEU A 50 4.321 14.922 -4.008 1.00 0.00 C ATOM 693 C LEU A 50 3.109 14.009 -3.850 1.00 0.00 C ATOM 694 O LEU A 50 2.600 13.821 -2.745 1.00 0.00 O ATOM 695 CB LEU A 50 5.580 14.206 -3.516 1.00 0.00 C ATOM 696 CG LEU A 50 5.885 14.335 -2.023 1.00 0.00 C ATOM 697 CD1 LEU A 50 5.106 13.300 -1.228 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.379 14.192 -1.770 1.00 0.00 C ATOM 0 H LEU A 50 3.630 16.072 -2.397 1.00 0.00 H new ATOM 0 HA LEU A 50 4.436 15.162 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.490 13.147 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.434 14.589 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 50 5.574 15.326 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.336 13.407 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.038 13.449 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.385 12.300 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.578 14.286 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.715 13.215 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.916 14.972 -2.309 1.00 0.00 H new ATOM 710 N THR A 51 2.653 13.442 -4.962 1.00 0.00 N ATOM 711 CA THR A 51 1.502 12.548 -4.947 1.00 0.00 C ATOM 712 C THR A 51 1.879 11.175 -4.402 1.00 0.00 C ATOM 713 O THR A 51 3.030 10.937 -4.034 1.00 0.00 O ATOM 714 CB THR A 51 0.901 12.381 -6.355 1.00 0.00 C ATOM 715 OG1 THR A 51 1.089 13.581 -7.113 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.582 12.052 -6.276 1.00 0.00 C ATOM 0 H THR A 51 3.063 13.586 -5.885 1.00 0.00 H new ATOM 0 HA THR A 51 0.757 13.003 -4.294 1.00 0.00 H new ATOM 0 HB THR A 51 1.414 11.555 -6.849 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.706 13.466 -8.008 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.984 11.939 -7.283 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.720 11.122 -5.724 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.107 12.859 -5.764 1.00 0.00 H new ATOM 724 N TYR A 52 0.903 10.275 -4.352 1.00 0.00 N ATOM 725 CA TYR A 52 1.133 8.925 -3.850 1.00 0.00 C ATOM 726 C TYR A 52 0.415 7.893 -4.714 1.00 0.00 C ATOM 727 O TYR A 52 -0.800 7.958 -4.898 1.00 0.00 O ATOM 728 CB TYR A 52 0.660 8.811 -2.400 1.00 0.00 C ATOM 729 CG TYR A 52 1.523 9.571 -1.420 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.825 9.167 -1.151 1.00 0.00 C ATOM 731 CD2 TYR A 52 1.037 10.694 -0.761 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.618 9.858 -0.255 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.823 11.393 0.135 1.00 0.00 C ATOM 734 CZ TYR A 52 3.112 10.971 0.385 1.00 0.00 C ATOM 735 OH TYR A 52 3.898 11.663 1.278 1.00 0.00 O ATOM 0 H TYR A 52 -0.055 10.456 -4.653 1.00 0.00 H new ATOM 0 HA TYR A 52 2.204 8.726 -3.893 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.364 9.179 -2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.641 7.759 -2.115 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.224 8.297 -1.651 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.027 11.026 -0.953 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.627 9.529 -0.057 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.430 12.265 0.637 1.00 0.00 H new ATOM 0 HH TYR A 52 3.331 12.073 1.964 1.00 0.00 H new ATOM 745 N SER A 53 1.177 6.940 -5.243 1.00 0.00 N ATOM 746 CA SER A 53 0.616 5.895 -6.090 1.00 0.00 C ATOM 747 C SER A 53 0.450 4.594 -5.311 1.00 0.00 C ATOM 748 O SER A 53 1.283 4.249 -4.472 1.00 0.00 O ATOM 749 CB SER A 53 1.511 5.662 -7.309 1.00 0.00 C ATOM 750 OG SER A 53 1.193 6.563 -8.355 1.00 0.00 O ATOM 0 H SER A 53 2.184 6.871 -5.099 1.00 0.00 H new ATOM 0 HA SER A 53 -0.367 6.224 -6.427 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.556 5.784 -7.025 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.393 4.637 -7.660 1.00 0.00 H new ATOM 0 HG SER A 53 1.999 7.053 -8.621 1.00 0.00 H new ATOM 756 N VAL A 54 -0.632 3.876 -5.594 1.00 0.00 N ATOM 757 CA VAL A 54 -0.908 2.612 -4.921 1.00 0.00 C ATOM 758 C VAL A 54 -1.051 1.474 -5.926 1.00 0.00 C ATOM 759 O VAL A 54 -2.029 1.409 -6.671 1.00 0.00 O ATOM 760 CB VAL A 54 -2.190 2.697 -4.072 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.542 1.333 -3.497 1.00 0.00 C ATOM 762 CG2 VAL A 54 -2.028 3.726 -2.963 1.00 0.00 C ATOM 0 H VAL A 54 -1.332 4.148 -6.285 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.060 2.410 -4.266 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.010 3.016 -4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.451 1.413 -2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.703 0.626 -4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.724 0.981 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.944 3.773 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.196 3.440 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.828 4.704 -3.401 1.00 0.00 H new ATOM 772 N PHE A 55 -0.070 0.578 -5.940 1.00 0.00 N ATOM 773 CA PHE A 55 -0.086 -0.558 -6.854 1.00 0.00 C ATOM 774 C PHE A 55 -0.636 -1.804 -6.164 1.00 0.00 C ATOM 775 O PHE A 55 -0.088 -2.264 -5.162 1.00 0.00 O ATOM 776 CB PHE A 55 1.323 -0.835 -7.382 1.00 0.00 C ATOM 777 CG PHE A 55 2.004 0.384 -7.937 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.534 1.344 -7.090 1.00 0.00 C ATOM 779 CD2 PHE A 55 2.115 0.569 -9.306 1.00 0.00 C ATOM 780 CE1 PHE A 55 3.162 2.465 -7.597 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.742 1.689 -9.819 1.00 0.00 C ATOM 782 CZ PHE A 55 3.265 2.639 -8.964 1.00 0.00 C ATOM 0 H PHE A 55 0.746 0.616 -5.329 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.738 -0.309 -7.691 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.931 -1.246 -6.576 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.268 -1.597 -8.160 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.455 1.214 -6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.707 -0.170 -9.980 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.572 3.205 -6.926 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.823 1.821 -10.888 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.753 3.516 -9.363 1.00 0.00 H new ATOM 792 N TYR A 56 -1.721 -2.343 -6.707 1.00 0.00 N ATOM 793 CA TYR A 56 -2.348 -3.532 -6.143 1.00 0.00 C ATOM 794 C TYR A 56 -2.388 -4.664 -7.165 1.00 0.00 C ATOM 795 O TYR A 56 -2.723 -4.452 -8.331 1.00 0.00 O ATOM 796 CB TYR A 56 -3.765 -3.211 -5.666 1.00 0.00 C ATOM 797 CG TYR A 56 -4.608 -2.505 -6.704 1.00 0.00 C ATOM 798 CD1 TYR A 56 -5.259 -3.221 -7.702 1.00 0.00 C ATOM 799 CD2 TYR A 56 -4.755 -1.124 -6.687 1.00 0.00 C ATOM 800 CE1 TYR A 56 -6.029 -2.580 -8.653 1.00 0.00 C ATOM 801 CE2 TYR A 56 -5.524 -0.475 -7.633 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.159 -1.208 -8.615 1.00 0.00 C ATOM 803 OH TYR A 56 -6.927 -0.566 -9.560 1.00 0.00 O ATOM 0 H TYR A 56 -2.185 -1.975 -7.538 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.750 -3.856 -5.291 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.261 -4.138 -5.377 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.707 -2.589 -4.773 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.161 -4.296 -7.734 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.259 -0.547 -5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.527 -3.151 -9.423 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.628 0.600 -7.604 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.915 0.399 -9.391 1.00 0.00 H new ATOM 813 N THR A 57 -2.044 -5.868 -6.719 1.00 0.00 N ATOM 814 CA THR A 57 -2.039 -7.034 -7.594 1.00 0.00 C ATOM 815 C THR A 57 -2.330 -8.309 -6.811 1.00 0.00 C ATOM 816 O THR A 57 -1.896 -8.462 -5.668 1.00 0.00 O ATOM 817 CB THR A 57 -0.688 -7.187 -8.319 1.00 0.00 C ATOM 818 OG1 THR A 57 -0.432 -8.569 -8.591 1.00 0.00 O ATOM 819 CG2 THR A 57 0.444 -6.611 -7.482 1.00 0.00 C ATOM 0 H THR A 57 -1.765 -6.061 -5.757 1.00 0.00 H new ATOM 0 HA THR A 57 -2.824 -6.878 -8.334 1.00 0.00 H new ATOM 0 HB THR A 57 -0.740 -6.636 -9.258 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.428 -8.658 -9.053 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.388 -6.731 -8.015 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.261 -5.552 -7.302 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.496 -7.137 -6.529 1.00 0.00 H new ATOM 827 N LYS A 58 -3.065 -9.225 -7.432 1.00 0.00 N ATOM 828 CA LYS A 58 -3.413 -10.489 -6.795 1.00 0.00 C ATOM 829 C LYS A 58 -2.167 -11.332 -6.543 1.00 0.00 C ATOM 830 O LYS A 58 -1.266 -11.389 -7.379 1.00 0.00 O ATOM 831 CB LYS A 58 -4.401 -11.268 -7.666 1.00 0.00 C ATOM 832 CG LYS A 58 -4.824 -12.598 -7.066 1.00 0.00 C ATOM 833 CD LYS A 58 -6.092 -13.125 -7.716 1.00 0.00 C ATOM 834 CE LYS A 58 -5.968 -13.158 -9.232 1.00 0.00 C ATOM 835 NZ LYS A 58 -6.192 -11.816 -9.836 1.00 0.00 N ATOM 0 H LYS A 58 -3.432 -9.115 -8.377 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.881 -10.267 -5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.287 -10.656 -7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.950 -11.446 -8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.022 -13.325 -7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.985 -12.480 -5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.303 -14.128 -7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.936 -12.496 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.977 -13.519 -9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.690 -13.865 -9.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.734 -11.918 -10.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.723 -11.220 -9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.275 -11.371 -10.043 1.00 0.00 H new ATOM 924 N GLU A 64 -0.117 -5.443 -12.197 1.00 0.00 N ATOM 925 CA GLU A 64 -0.754 -4.662 -11.143 1.00 0.00 C ATOM 926 C GLU A 64 -1.278 -3.337 -11.689 1.00 0.00 C ATOM 927 O GLU A 64 -0.873 -2.893 -12.764 1.00 0.00 O ATOM 928 CB GLU A 64 0.232 -4.402 -10.003 1.00 0.00 C ATOM 929 CG GLU A 64 1.318 -3.399 -10.354 1.00 0.00 C ATOM 930 CD GLU A 64 2.445 -3.380 -9.339 1.00 0.00 C ATOM 931 OE1 GLU A 64 2.434 -4.229 -8.424 1.00 0.00 O ATOM 932 OE2 GLU A 64 3.338 -2.515 -9.462 1.00 0.00 O ATOM 0 HA GLU A 64 -1.597 -5.237 -10.760 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.318 -4.040 -9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.699 -5.344 -9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.724 -3.638 -11.337 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.879 -2.404 -10.423 1.00 0.00 H new ATOM 939 N ARG A 65 -2.180 -2.710 -10.941 1.00 0.00 N ATOM 940 CA ARG A 65 -2.761 -1.437 -11.350 1.00 0.00 C ATOM 941 C ARG A 65 -2.434 -0.341 -10.340 1.00 0.00 C ATOM 942 O ARG A 65 -2.484 -0.562 -9.130 1.00 0.00 O ATOM 943 CB ARG A 65 -4.277 -1.569 -11.503 1.00 0.00 C ATOM 944 CG ARG A 65 -4.707 -2.818 -12.255 1.00 0.00 C ATOM 945 CD ARG A 65 -4.787 -2.567 -13.752 1.00 0.00 C ATOM 946 NE ARG A 65 -5.804 -1.574 -14.087 1.00 0.00 N ATOM 947 CZ ARG A 65 -7.102 -1.847 -14.157 1.00 0.00 C ATOM 948 NH1 ARG A 65 -7.539 -3.075 -13.917 1.00 0.00 N ATOM 949 NH2 ARG A 65 -7.967 -0.889 -14.468 1.00 0.00 N ATOM 0 H ARG A 65 -2.524 -3.063 -10.048 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.329 -1.162 -12.312 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.734 -1.575 -10.514 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.659 -0.691 -12.025 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.001 -3.624 -12.057 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.679 -3.149 -11.888 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.817 -2.229 -14.115 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.011 -3.502 -14.265 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.501 -0.619 -14.278 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.878 -3.814 -13.678 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.536 -3.281 -13.972 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.635 0.057 -14.653 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.964 -1.099 -14.522 1.00 0.00 H new ATOM 963 N VAL A 66 -2.099 0.842 -10.846 1.00 0.00 N ATOM 964 CA VAL A 66 -1.764 1.973 -9.988 1.00 0.00 C ATOM 965 C VAL A 66 -2.956 2.909 -9.824 1.00 0.00 C ATOM 966 O VAL A 66 -3.673 3.191 -10.784 1.00 0.00 O ATOM 967 CB VAL A 66 -0.572 2.770 -10.550 1.00 0.00 C ATOM 968 CG1 VAL A 66 -1.015 3.643 -11.715 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.069 3.611 -9.457 1.00 0.00 C ATOM 0 H VAL A 66 -2.052 1.042 -11.845 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.491 1.563 -9.016 1.00 0.00 H new ATOM 0 HB VAL A 66 0.173 2.065 -10.918 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.160 4.199 -12.099 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.424 3.014 -12.506 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.779 4.342 -11.376 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.909 4.167 -9.872 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.666 4.309 -9.057 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.424 2.960 -8.658 1.00 0.00 H new ATOM 979 N GLU A 67 -3.161 3.389 -8.601 1.00 0.00 N ATOM 980 CA GLU A 67 -4.267 4.294 -8.312 1.00 0.00 C ATOM 981 C GLU A 67 -3.755 5.616 -7.748 1.00 0.00 C ATOM 982 O GLU A 67 -3.321 5.685 -6.599 1.00 0.00 O ATOM 983 CB GLU A 67 -5.240 3.647 -7.323 1.00 0.00 C ATOM 984 CG GLU A 67 -6.663 4.163 -7.444 1.00 0.00 C ATOM 985 CD GLU A 67 -6.875 5.469 -6.702 1.00 0.00 C ATOM 986 OE1 GLU A 67 -6.065 6.399 -6.894 1.00 0.00 O ATOM 987 OE2 GLU A 67 -7.853 5.560 -5.930 1.00 0.00 O ATOM 0 H GLU A 67 -2.576 3.166 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.791 4.496 -9.246 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.239 2.568 -7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.884 3.823 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.906 4.304 -8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.352 3.413 -7.056 1.00 0.00 H new ATOM 994 N ASN A 68 -3.809 6.662 -8.566 1.00 0.00 N ATOM 995 CA ASN A 68 -3.349 7.982 -8.149 1.00 0.00 C ATOM 996 C ASN A 68 -4.348 8.630 -7.195 1.00 0.00 C ATOM 997 O ASN A 68 -5.532 8.759 -7.510 1.00 0.00 O ATOM 998 CB ASN A 68 -3.137 8.880 -9.370 1.00 0.00 C ATOM 999 CG ASN A 68 -2.489 8.141 -10.525 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -3.056 8.049 -11.614 1.00 0.00 O ATOM 1001 ND2 ASN A 68 -1.295 7.610 -10.292 1.00 0.00 N ATOM 0 H ASN A 68 -4.166 6.622 -9.521 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.400 7.860 -7.626 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.097 9.283 -9.693 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.513 9.729 -9.090 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.810 7.101 -11.031 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.862 7.711 -9.374 1.00 0.00 H new ATOM 1008 N THR A 69 -3.864 9.037 -6.026 1.00 0.00 N ATOM 1009 CA THR A 69 -4.713 9.671 -5.025 1.00 0.00 C ATOM 1010 C THR A 69 -5.434 10.883 -5.604 1.00 0.00 C ATOM 1011 O THR A 69 -4.801 11.819 -6.091 1.00 0.00 O ATOM 1012 CB THR A 69 -3.898 10.112 -3.795 1.00 0.00 C ATOM 1013 OG1 THR A 69 -2.807 10.945 -4.203 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.364 8.905 -3.038 1.00 0.00 C ATOM 0 H THR A 69 -2.887 8.939 -5.749 1.00 0.00 H new ATOM 0 HA THR A 69 -5.448 8.927 -4.717 1.00 0.00 H new ATOM 0 HB THR A 69 -4.557 10.674 -3.133 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.013 11.880 -3.994 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.792 9.242 -2.174 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.198 8.287 -2.703 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.720 8.320 -3.694 1.00 0.00 H new ATOM 1022 N SER A 70 -6.761 10.859 -5.547 1.00 0.00 N ATOM 1023 CA SER A 70 -7.569 11.955 -6.068 1.00 0.00 C ATOM 1024 C SER A 70 -6.876 13.295 -5.842 1.00 0.00 C ATOM 1025 O SER A 70 -7.003 14.217 -6.650 1.00 0.00 O ATOM 1026 CB SER A 70 -8.947 11.962 -5.405 1.00 0.00 C ATOM 1027 OG SER A 70 -9.733 13.045 -5.872 1.00 0.00 O ATOM 0 H SER A 70 -7.300 10.092 -5.145 1.00 0.00 H new ATOM 0 HA SER A 70 -7.692 11.805 -7.141 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.458 11.022 -5.612 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.833 12.031 -4.323 1.00 0.00 H new ATOM 0 HG SER A 70 -9.775 13.740 -5.182 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.144 13.397 -4.738 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.430 14.624 -4.404 1.00 0.00 C ATOM 1035 C HIS A 71 -4.010 14.317 -3.937 1.00 0.00 C ATOM 1036 O HIS A 71 -3.756 13.321 -3.259 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.180 15.397 -3.319 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.642 15.557 -3.600 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -8.133 16.390 -4.583 1.00 0.00 N ATOM 1040 CD2 HIS A 71 -8.723 14.983 -3.021 1.00 0.00 C ATOM 1041 CE1 HIS A 71 -9.452 16.323 -4.595 1.00 0.00 C ATOM 1042 NE2 HIS A 71 -9.836 15.476 -3.658 1.00 0.00 N ATOM 0 H HIS A 71 -6.029 12.645 -4.059 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.373 15.238 -5.303 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.056 14.882 -2.366 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.729 16.383 -3.210 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.712 14.270 -2.210 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.106 16.869 -5.259 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.802 15.228 -3.442 1.00 0.00 H new ATOM 1051 N PRO A 72 -3.062 15.190 -4.309 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.652 15.033 -3.939 1.00 0.00 C ATOM 1053 C PRO A 72 -1.415 15.259 -2.450 1.00 0.00 C ATOM 1054 O PRO A 72 -1.915 16.222 -1.871 1.00 0.00 O ATOM 1055 CB PRO A 72 -0.947 16.114 -4.763 1.00 0.00 C ATOM 1056 CG PRO A 72 -1.993 17.145 -5.009 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.294 16.399 -5.117 1.00 0.00 C ATOM 0 HA PRO A 72 -1.289 14.024 -4.134 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.098 16.533 -4.223 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.562 15.710 -5.699 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.025 17.870 -4.195 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.785 17.701 -5.923 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.127 16.986 -4.731 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.531 16.151 -6.152 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.648 14.363 -1.835 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.357 14.484 -0.418 1.00 0.00 C ATOM 1067 C GLY A 73 -1.250 13.602 0.433 1.00 0.00 C ATOM 1068 O GLY A 73 -0.841 13.140 1.498 1.00 0.00 O ATOM 0 H GLY A 73 -0.223 13.556 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.686 14.220 -0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.479 15.523 -0.112 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.472 13.371 -0.036 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.424 12.541 0.692 1.00 0.00 C ATOM 1074 C GLU A 74 -2.722 11.358 1.353 1.00 0.00 C ATOM 1075 O GLU A 74 -2.097 10.540 0.679 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.520 12.037 -0.250 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.836 11.743 0.450 1.00 0.00 C ATOM 1078 CD GLU A 74 -6.353 12.928 1.243 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -6.840 13.893 0.618 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -6.270 12.891 2.488 1.00 0.00 O ATOM 0 H GLU A 74 -2.826 13.747 -0.916 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.878 13.153 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.690 12.782 -1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.172 11.131 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.581 11.454 -0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.705 10.892 1.119 1.00 0.00 H new ATOM 1087 N MET A 75 -2.830 11.276 2.675 1.00 0.00 N ATOM 1088 CA MET A 75 -2.207 10.194 3.426 1.00 0.00 C ATOM 1089 C MET A 75 -3.116 8.970 3.473 1.00 0.00 C ATOM 1090 O MET A 75 -2.993 8.128 4.362 1.00 0.00 O ATOM 1091 CB MET A 75 -1.879 10.654 4.848 1.00 0.00 C ATOM 1092 CG MET A 75 -0.783 11.706 4.908 1.00 0.00 C ATOM 1093 SD MET A 75 0.865 10.985 5.040 1.00 0.00 S ATOM 1094 CE MET A 75 1.300 10.818 3.311 1.00 0.00 C ATOM 0 H MET A 75 -3.343 11.946 3.248 1.00 0.00 H new ATOM 0 HA MET A 75 -1.283 9.919 2.918 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.782 11.055 5.309 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.575 9.790 5.440 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.833 12.328 4.014 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.959 12.360 5.762 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.354 10.554 3.225 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.692 10.036 2.857 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.120 11.762 2.798 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.027 8.878 2.510 1.00 0.00 N ATOM 1105 CA GLN A 76 -4.958 7.757 2.443 1.00 0.00 C ATOM 1106 C GLN A 76 -5.715 7.756 1.119 1.00 0.00 C ATOM 1107 O GLN A 76 -5.962 8.810 0.533 1.00 0.00 O ATOM 1108 CB GLN A 76 -5.946 7.817 3.609 1.00 0.00 C ATOM 1109 CG GLN A 76 -6.991 8.911 3.466 1.00 0.00 C ATOM 1110 CD GLN A 76 -7.982 8.926 4.612 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -8.759 7.986 4.789 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -7.961 9.994 5.401 1.00 0.00 N ATOM 0 H GLN A 76 -4.141 9.566 1.765 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.382 6.834 2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.450 6.854 3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.393 7.973 4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.493 9.879 3.409 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.529 8.774 2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.301 10.750 5.218 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.605 10.058 6.190 1.00 0.00 H new ATOM 1121 N VAL A 77 -6.080 6.567 0.653 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.810 6.428 -0.602 1.00 0.00 C ATOM 1123 C VAL A 77 -7.648 5.155 -0.613 1.00 0.00 C ATOM 1124 O VAL A 77 -7.357 4.200 0.107 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.853 6.409 -1.809 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -5.124 5.077 -1.892 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.613 6.692 -3.096 1.00 0.00 C ATOM 0 H VAL A 77 -5.882 5.685 1.126 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.468 7.293 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.109 7.194 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.453 5.083 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.546 4.921 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.850 4.271 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.921 6.675 -3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.380 5.931 -3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.083 7.673 -3.033 1.00 0.00 H new ATOM 1137 N THR A 78 -8.693 5.148 -1.435 1.00 0.00 N ATOM 1138 CA THR A 78 -9.576 3.993 -1.539 1.00 0.00 C ATOM 1139 C THR A 78 -9.361 3.254 -2.856 1.00 0.00 C ATOM 1140 O THR A 78 -9.335 3.866 -3.924 1.00 0.00 O ATOM 1141 CB THR A 78 -11.056 4.405 -1.431 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.266 5.165 -0.236 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.959 3.181 -1.425 1.00 0.00 C ATOM 0 H THR A 78 -8.948 5.930 -2.038 1.00 0.00 H new ATOM 0 HA THR A 78 -9.330 3.331 -0.709 1.00 0.00 H new ATOM 0 HB THR A 78 -11.305 5.016 -2.299 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.209 5.425 -0.175 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.999 3.497 -1.348 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.817 2.620 -2.349 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.708 2.548 -0.574 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.208 1.937 -2.771 1.00 0.00 N ATOM 1152 CA ILE A 79 -8.997 1.116 -3.957 1.00 0.00 C ATOM 1153 C ILE A 79 -10.225 0.263 -4.259 1.00 0.00 C ATOM 1154 O ILE A 79 -10.384 -0.828 -3.712 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.774 0.195 -3.794 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.564 0.999 -3.312 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.461 -0.508 -5.106 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -6.038 1.975 -4.341 1.00 0.00 C ATOM 0 H ILE A 79 -9.226 1.416 -1.894 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.818 1.800 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.005 -0.563 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.838 1.547 -2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.766 0.309 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.594 -1.155 -4.974 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.319 -1.108 -5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.246 0.235 -5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.181 2.510 -3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.733 1.432 -5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.821 2.688 -4.600 1.00 0.00 H new ATOM 1170 N GLN A 80 -11.087 0.767 -5.136 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.300 0.049 -5.512 1.00 0.00 C ATOM 1172 C GLN A 80 -12.033 -0.896 -6.679 1.00 0.00 C ATOM 1173 O GLN A 80 -10.897 -1.037 -7.129 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.407 1.037 -5.883 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.712 2.048 -4.790 1.00 0.00 C ATOM 1176 CD GLN A 80 -14.838 2.992 -5.165 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -15.542 2.775 -6.151 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -15.012 4.047 -4.378 1.00 0.00 N ATOM 0 H GLN A 80 -10.969 1.668 -5.599 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.623 -0.543 -4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.118 1.570 -6.789 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.315 0.481 -6.116 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -13.976 1.519 -3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.814 2.627 -4.575 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -14.404 4.187 -3.571 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.753 4.718 -4.580 1.00 0.00 H new ATOM 1187 N ASN A 81 -13.089 -1.540 -7.165 1.00 0.00 N ATOM 1188 CA ASN A 81 -12.968 -2.473 -8.280 1.00 0.00 C ATOM 1189 C ASN A 81 -12.076 -3.653 -7.907 1.00 0.00 C ATOM 1190 O ASN A 81 -11.124 -3.975 -8.619 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.403 -1.760 -9.510 1.00 0.00 C ATOM 1192 CG ASN A 81 -12.883 -0.326 -9.619 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -12.084 0.610 -9.609 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -14.195 -0.148 -9.723 1.00 0.00 N ATOM 0 H ASN A 81 -14.037 -1.433 -6.805 1.00 0.00 H new ATOM 0 HA ASN A 81 -13.963 -2.852 -8.514 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.314 -1.773 -9.466 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.692 -2.306 -10.408 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -14.577 0.795 -9.799 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -14.820 -0.954 -9.727 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.391 -4.296 -6.788 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.619 -5.442 -6.320 1.00 0.00 C ATOM 1203 C LEU A 82 -12.525 -6.643 -6.069 1.00 0.00 C ATOM 1204 O LEU A 82 -13.746 -6.508 -5.999 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.862 -5.083 -5.041 1.00 0.00 C ATOM 1206 CG LEU A 82 -9.893 -3.905 -5.142 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.276 -3.602 -3.785 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -8.808 -4.192 -6.170 1.00 0.00 C ATOM 0 H LEU A 82 -13.176 -4.043 -6.188 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.902 -5.708 -7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.591 -4.862 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.303 -5.960 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.452 -3.028 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.589 -2.761 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.064 -3.351 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.732 -4.477 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.128 -3.342 -6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.253 -5.082 -5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.266 -4.358 -7.145 1.00 0.00 H new ATOM 1220 N MET A 83 -11.917 -7.817 -5.932 1.00 0.00 N ATOM 1221 CA MET A 83 -12.670 -9.042 -5.685 1.00 0.00 C ATOM 1222 C MET A 83 -12.602 -9.434 -4.212 1.00 0.00 C ATOM 1223 O MET A 83 -11.547 -9.381 -3.579 1.00 0.00 O ATOM 1224 CB MET A 83 -12.131 -10.180 -6.553 1.00 0.00 C ATOM 1225 CG MET A 83 -12.912 -11.477 -6.408 1.00 0.00 C ATOM 1226 SD MET A 83 -14.316 -11.572 -7.535 1.00 0.00 S ATOM 1227 CE MET A 83 -13.478 -11.606 -9.118 1.00 0.00 C ATOM 0 H MET A 83 -10.907 -7.946 -5.988 1.00 0.00 H new ATOM 0 HA MET A 83 -13.712 -8.858 -5.946 1.00 0.00 H new ATOM 0 HB2 MET A 83 -12.149 -9.869 -7.598 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.088 -10.362 -6.293 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.246 -12.320 -6.592 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.268 -11.570 -5.382 1.00 0.00 H new ATOM 0 HE1 MET A 83 -14.075 -12.170 -9.834 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.344 -10.587 -9.481 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.504 -12.081 -9.004 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.752 -9.836 -3.652 1.00 0.00 N ATOM 1238 CA PRO A 84 -13.848 -10.245 -2.247 1.00 0.00 C ATOM 1239 C PRO A 84 -13.141 -11.569 -1.979 1.00 0.00 C ATOM 1240 O PRO A 84 -12.953 -12.378 -2.887 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.355 -10.388 -2.022 1.00 0.00 C ATOM 1242 CG PRO A 84 -15.915 -10.672 -3.373 1.00 0.00 C ATOM 1243 CD PRO A 84 -15.047 -9.923 -4.347 1.00 0.00 C ATOM 0 HA PRO A 84 -13.370 -9.528 -1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.576 -11.196 -1.324 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.780 -9.477 -1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.904 -11.742 -3.583 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.952 -10.344 -3.442 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.959 -10.452 -5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.451 -8.935 -4.569 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.751 -11.783 -0.727 1.00 0.00 N ATOM 1252 CA ALA A 85 -12.066 -13.010 -0.339 1.00 0.00 C ATOM 1253 C ALA A 85 -10.894 -13.302 -1.269 1.00 0.00 C ATOM 1254 O ALA A 85 -10.636 -14.454 -1.619 1.00 0.00 O ATOM 1255 CB ALA A 85 -13.041 -14.178 -0.333 1.00 0.00 C ATOM 0 H ALA A 85 -12.898 -11.122 0.036 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.671 -12.874 0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.517 -15.088 -0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.844 -13.978 0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.462 -14.305 -1.330 1.00 0.00 H new ATOM 1261 N THR A 86 -10.185 -12.250 -1.668 1.00 0.00 N ATOM 1262 CA THR A 86 -9.041 -12.394 -2.560 1.00 0.00 C ATOM 1263 C THR A 86 -7.864 -11.548 -2.084 1.00 0.00 C ATOM 1264 O THR A 86 -7.979 -10.331 -1.942 1.00 0.00 O ATOM 1265 CB THR A 86 -9.398 -11.990 -4.002 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.481 -12.794 -4.482 1.00 0.00 O ATOM 1267 CG2 THR A 86 -8.196 -12.147 -4.922 1.00 0.00 C ATOM 0 H THR A 86 -10.383 -11.290 -1.387 1.00 0.00 H new ATOM 0 HA THR A 86 -8.759 -13.447 -2.545 1.00 0.00 H new ATOM 0 HB THR A 86 -9.698 -10.942 -3.998 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.281 -12.621 -3.943 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.473 -11.856 -5.935 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.383 -11.511 -4.571 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.870 -13.187 -4.920 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.732 -12.202 -1.840 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.534 -11.509 -1.382 1.00 0.00 C ATOM 1277 C VAL A 87 -5.015 -10.548 -2.445 1.00 0.00 C ATOM 1278 O VAL A 87 -5.004 -10.867 -3.634 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.416 -12.504 -1.016 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -3.215 -11.770 -0.441 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -4.933 -13.548 -0.037 1.00 0.00 C ATOM 0 H VAL A 87 -6.620 -13.210 -1.952 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.815 -10.945 -0.492 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.097 -13.016 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.436 -12.489 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.832 -11.064 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.515 -11.229 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.131 -14.243 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.280 -13.055 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.759 -14.095 -0.491 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.584 -9.369 -2.009 1.00 0.00 N ATOM 1292 CA TYR A 88 -4.065 -8.359 -2.924 1.00 0.00 C ATOM 1293 C TYR A 88 -2.878 -7.625 -2.308 1.00 0.00 C ATOM 1294 O TYR A 88 -2.976 -7.072 -1.212 1.00 0.00 O ATOM 1295 CB TYR A 88 -5.163 -7.359 -3.289 1.00 0.00 C ATOM 1296 CG TYR A 88 -6.172 -7.901 -4.276 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.842 -8.065 -5.616 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.454 -8.249 -3.869 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.761 -8.559 -6.522 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.379 -8.745 -4.768 1.00 0.00 C ATOM 1301 CZ TYR A 88 -8.028 -8.898 -6.093 1.00 0.00 C ATOM 1302 OH TYR A 88 -8.945 -9.391 -6.992 1.00 0.00 O ATOM 0 H TYR A 88 -4.584 -9.089 -1.028 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.727 -8.864 -3.829 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.683 -7.055 -2.380 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.703 -6.464 -3.707 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.851 -7.802 -5.955 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.732 -8.130 -2.832 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.489 -8.679 -7.560 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.371 -9.011 -4.435 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.477 -9.875 -7.704 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.756 -7.625 -3.021 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.550 -6.959 -2.546 1.00 0.00 C ATOM 1314 C ILE A 89 -0.555 -5.481 -2.920 1.00 0.00 C ATOM 1315 O ILE A 89 -0.423 -5.125 -4.092 1.00 0.00 O ATOM 1316 CB ILE A 89 0.719 -7.617 -3.118 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.532 -9.132 -3.221 1.00 0.00 C ATOM 1318 CG2 ILE A 89 1.925 -7.284 -2.252 1.00 0.00 C ATOM 1319 CD1 ILE A 89 0.117 -9.779 -1.918 1.00 0.00 C ATOM 0 H ILE A 89 -1.658 -8.079 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.542 -7.057 -1.460 1.00 0.00 H new ATOM 0 HB ILE A 89 0.895 -7.223 -4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.221 -9.346 -3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.464 -9.583 -3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.814 -7.756 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.067 -6.204 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.759 -7.653 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.003 -10.853 -2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.880 -9.595 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.831 -9.355 -1.587 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.707 -4.622 -1.917 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.729 -3.182 -2.140 1.00 0.00 C ATOM 1333 C PHE A 90 0.659 -2.579 -1.938 1.00 0.00 C ATOM 1334 O PHE A 90 1.392 -2.972 -1.030 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.730 -2.513 -1.196 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.158 -2.879 -1.480 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.683 -4.079 -1.026 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -3.977 -2.024 -2.200 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -4.997 -4.420 -1.285 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.292 -2.359 -2.462 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.802 -3.559 -2.005 1.00 0.00 C ATOM 0 H PHE A 90 -0.817 -4.899 -0.942 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.037 -3.004 -3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.490 -2.789 -0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.619 -1.431 -1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.057 -4.756 -0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.583 -1.085 -2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.394 -5.358 -0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.920 -1.683 -3.023 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.829 -3.823 -2.210 1.00 0.00 H new ATOM 1351 N ARG A 91 1.012 -1.623 -2.791 1.00 0.00 N ATOM 1352 CA ARG A 91 2.311 -0.967 -2.708 1.00 0.00 C ATOM 1353 C ARG A 91 2.167 0.545 -2.850 1.00 0.00 C ATOM 1354 O ARG A 91 1.687 1.041 -3.870 1.00 0.00 O ATOM 1355 CB ARG A 91 3.248 -1.505 -3.791 1.00 0.00 C ATOM 1356 CG ARG A 91 3.921 -2.816 -3.419 1.00 0.00 C ATOM 1357 CD ARG A 91 4.966 -3.218 -4.448 1.00 0.00 C ATOM 1358 NE ARG A 91 5.876 -4.238 -3.934 1.00 0.00 N ATOM 1359 CZ ARG A 91 6.698 -4.944 -4.702 1.00 0.00 C ATOM 1360 NH1 ARG A 91 6.724 -4.741 -6.012 1.00 0.00 N ATOM 1361 NH2 ARG A 91 7.496 -5.855 -4.160 1.00 0.00 N ATOM 0 H ARG A 91 0.417 -1.286 -3.547 1.00 0.00 H new ATOM 0 HA ARG A 91 2.737 -1.183 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.682 -1.646 -4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.015 -0.759 -3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.391 -2.720 -2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.170 -3.601 -3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.469 -3.593 -5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.538 -2.339 -4.746 1.00 0.00 H new ATOM 0 HE ARG A 91 5.881 -4.418 -2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.112 -4.041 -6.432 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.356 -5.284 -6.600 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.479 -6.014 -3.153 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.127 -6.397 -4.751 1.00 0.00 H new ATOM 1375 N VAL A 92 2.585 1.274 -1.820 1.00 0.00 N ATOM 1376 CA VAL A 92 2.504 2.730 -1.830 1.00 0.00 C ATOM 1377 C VAL A 92 3.836 3.352 -2.233 1.00 0.00 C ATOM 1378 O VAL A 92 4.900 2.852 -1.872 1.00 0.00 O ATOM 1379 CB VAL A 92 2.089 3.278 -0.452 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.550 4.695 -0.581 1.00 0.00 C ATOM 1381 CG2 VAL A 92 1.061 2.364 0.198 1.00 0.00 C ATOM 0 H VAL A 92 2.983 0.880 -0.968 1.00 0.00 H new ATOM 0 HA VAL A 92 1.744 3.000 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 92 2.971 3.307 0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.262 5.066 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.321 5.341 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.680 4.695 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.779 2.767 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.178 2.300 -0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.488 1.370 0.327 1.00 0.00 H new ATOM 1391 N MET A 93 3.768 4.447 -2.984 1.00 0.00 N ATOM 1392 CA MET A 93 4.969 5.139 -3.435 1.00 0.00 C ATOM 1393 C MET A 93 4.703 6.631 -3.612 1.00 0.00 C ATOM 1394 O MET A 93 3.619 7.031 -4.034 1.00 0.00 O ATOM 1395 CB MET A 93 5.467 4.538 -4.751 1.00 0.00 C ATOM 1396 CG MET A 93 6.746 5.178 -5.266 1.00 0.00 C ATOM 1397 SD MET A 93 7.648 4.108 -6.403 1.00 0.00 S ATOM 1398 CE MET A 93 6.376 3.748 -7.611 1.00 0.00 C ATOM 0 H MET A 93 2.894 4.873 -3.293 1.00 0.00 H new ATOM 0 HA MET A 93 5.738 5.013 -2.673 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.635 3.470 -4.613 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.688 4.643 -5.506 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.502 6.114 -5.769 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.388 5.428 -4.422 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.817 3.723 -8.607 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.926 2.780 -7.389 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.609 4.522 -7.573 1.00 0.00 H new ATOM 1408 N ALA A 94 5.699 7.448 -3.287 1.00 0.00 N ATOM 1409 CA ALA A 94 5.572 8.895 -3.412 1.00 0.00 C ATOM 1410 C ALA A 94 6.072 9.374 -4.771 1.00 0.00 C ATOM 1411 O ALA A 94 6.881 8.707 -5.414 1.00 0.00 O ATOM 1412 CB ALA A 94 6.333 9.590 -2.293 1.00 0.00 C ATOM 0 H ALA A 94 6.603 7.133 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 94 4.516 9.151 -3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.230 10.670 -2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.928 9.279 -1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.387 9.319 -2.347 1.00 0.00 H new ATOM 1418 N GLN A 95 5.583 10.533 -5.201 1.00 0.00 N ATOM 1419 CA GLN A 95 5.979 11.100 -6.484 1.00 0.00 C ATOM 1420 C GLN A 95 6.035 12.622 -6.413 1.00 0.00 C ATOM 1421 O GLN A 95 5.095 13.266 -5.950 1.00 0.00 O ATOM 1422 CB GLN A 95 5.006 10.663 -7.581 1.00 0.00 C ATOM 1423 CG GLN A 95 5.433 9.396 -8.304 1.00 0.00 C ATOM 1424 CD GLN A 95 4.253 8.572 -8.782 1.00 0.00 C ATOM 1425 OE1 GLN A 95 4.177 7.327 -8.326 1.00 0.00 O flip ATOM 1426 NE2 GLN A 95 3.420 9.049 -9.553 1.00 0.00 N flip ATOM 0 H GLN A 95 4.912 11.097 -4.679 1.00 0.00 H new ATOM 0 HA GLN A 95 6.976 10.730 -6.724 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.022 10.506 -7.140 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.905 11.469 -8.307 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.056 9.662 -9.158 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.048 8.791 -7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.518 10.011 -9.878 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.632 8.482 -9.867 1.00 0.00 H new ATOM 1435 N ASN A 96 7.143 13.191 -6.875 1.00 0.00 N ATOM 1436 CA ASN A 96 7.322 14.639 -6.863 1.00 0.00 C ATOM 1437 C ASN A 96 7.681 15.154 -8.254 1.00 0.00 C ATOM 1438 O ASN A 96 7.693 14.397 -9.225 1.00 0.00 O ATOM 1439 CB ASN A 96 8.412 15.031 -5.864 1.00 0.00 C ATOM 1440 CG ASN A 96 9.802 14.673 -6.355 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.598 15.549 -6.690 1.00 0.00 O ATOM 1442 ND2 ASN A 96 10.098 13.379 -6.399 1.00 0.00 N ATOM 0 H ASN A 96 7.931 12.672 -7.263 1.00 0.00 H new ATOM 0 HA ASN A 96 6.380 15.094 -6.559 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.361 16.104 -5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.226 14.532 -4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 96 11.018 13.077 -6.721 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.406 12.687 -6.111 1.00 0.00 H new ATOM 1449 N LYS A 97 7.975 16.447 -8.342 1.00 0.00 N ATOM 1450 CA LYS A 97 8.337 17.065 -9.612 1.00 0.00 C ATOM 1451 C LYS A 97 9.305 16.180 -10.391 1.00 0.00 C ATOM 1452 O LYS A 97 9.378 16.254 -11.618 1.00 0.00 O ATOM 1453 CB LYS A 97 8.966 18.439 -9.372 1.00 0.00 C ATOM 1454 CG LYS A 97 10.136 18.413 -8.404 1.00 0.00 C ATOM 1455 CD LYS A 97 10.264 19.725 -7.649 1.00 0.00 C ATOM 1456 CE LYS A 97 10.816 20.829 -8.538 1.00 0.00 C ATOM 1457 NZ LYS A 97 9.745 21.486 -9.336 1.00 0.00 N ATOM 0 H LYS A 97 7.970 17.087 -7.548 1.00 0.00 H new ATOM 0 HA LYS A 97 7.428 17.186 -10.202 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.303 18.846 -10.325 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.203 19.116 -8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.005 17.596 -7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.058 18.216 -8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.288 20.021 -7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.919 19.588 -6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.319 21.574 -7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.566 20.413 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.003 22.478 -9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.634 20.989 -10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.849 21.451 -8.810 1.00 0.00 H new ATOM 1471 N HIS A 98 10.045 15.343 -9.671 1.00 0.00 N ATOM 1472 CA HIS A 98 11.008 14.443 -10.296 1.00 0.00 C ATOM 1473 C HIS A 98 10.298 13.273 -10.971 1.00 0.00 C ATOM 1474 O HIS A 98 10.266 13.177 -12.197 1.00 0.00 O ATOM 1475 CB HIS A 98 12.000 13.921 -9.256 1.00 0.00 C ATOM 1476 CG HIS A 98 12.632 15.003 -8.436 1.00 0.00 C ATOM 1477 ND1 HIS A 98 13.058 15.006 -7.151 1.00 0.00 N flip ATOM 1478 CD2 HIS A 98 12.889 16.266 -8.926 1.00 0.00 C flip ATOM 1479 CE1 HIS A 98 13.561 16.257 -6.891 1.00 0.00 C flip ATOM 1480 NE2 HIS A 98 13.448 16.998 -7.979 1.00 0.00 N flip ATOM 0 H HIS A 98 9.996 15.269 -8.655 1.00 0.00 H new ATOM 0 HA HIS A 98 11.552 15.003 -11.056 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.486 13.226 -8.592 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.783 13.357 -9.763 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.668 16.604 -9.928 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.981 16.582 -5.950 1.00 0.00 H new ATOM 0 HE2 HIS A 98 13.742 17.970 -8.072 1.00 0.00 H new ATOM 1489 N GLY A 99 9.730 12.384 -10.161 1.00 0.00 N ATOM 1490 CA GLY A 99 9.030 11.232 -10.698 1.00 0.00 C ATOM 1491 C GLY A 99 8.660 10.227 -9.625 1.00 0.00 C ATOM 1492 O GLY A 99 8.116 10.592 -8.583 1.00 0.00 O ATOM 0 H GLY A 99 9.742 12.441 -9.143 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.126 11.565 -11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.656 10.746 -11.446 1.00 0.00 H new ATOM 1496 N SER A 100 8.953 8.956 -9.881 1.00 0.00 N ATOM 1497 CA SER A 100 8.643 7.894 -8.932 1.00 0.00 C ATOM 1498 C SER A 100 9.879 7.509 -8.124 1.00 0.00 C ATOM 1499 O SER A 100 10.849 6.981 -8.667 1.00 0.00 O ATOM 1500 CB SER A 100 8.097 6.667 -9.667 1.00 0.00 C ATOM 1501 OG SER A 100 9.007 6.219 -10.656 1.00 0.00 O ATOM 0 H SER A 100 9.405 8.637 -10.738 1.00 0.00 H new ATOM 0 HA SER A 100 7.883 8.265 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.908 5.866 -8.953 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.142 6.912 -10.131 1.00 0.00 H new ATOM 0 HG SER A 100 9.923 6.294 -10.316 1.00 0.00 H new ATOM 1507 N GLY A 101 9.834 7.777 -6.823 1.00 0.00 N ATOM 1508 CA GLY A 101 10.956 7.452 -5.960 1.00 0.00 C ATOM 1509 C GLY A 101 11.044 5.970 -5.657 1.00 0.00 C ATOM 1510 O GLY A 101 11.158 5.150 -6.568 1.00 0.00 O ATOM 0 H GLY A 101 9.042 8.213 -6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.882 7.778 -6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.864 8.006 -5.026 1.00 0.00 H new ATOM 1514 N GLU A 102 10.994 5.626 -4.374 1.00 0.00 N ATOM 1515 CA GLU A 102 11.072 4.231 -3.955 1.00 0.00 C ATOM 1516 C GLU A 102 9.686 3.681 -3.633 1.00 0.00 C ATOM 1517 O GLU A 102 8.842 4.383 -3.076 1.00 0.00 O ATOM 1518 CB GLU A 102 11.984 4.093 -2.733 1.00 0.00 C ATOM 1519 CG GLU A 102 12.404 2.662 -2.446 1.00 0.00 C ATOM 1520 CD GLU A 102 13.498 2.177 -3.377 1.00 0.00 C ATOM 1521 OE1 GLU A 102 13.227 2.039 -4.588 1.00 0.00 O ATOM 1522 OE2 GLU A 102 14.624 1.935 -2.895 1.00 0.00 O ATOM 0 H GLU A 102 10.900 6.293 -3.608 1.00 0.00 H new ATOM 0 HA GLU A 102 11.490 3.654 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.876 4.701 -2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.470 4.494 -1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.751 2.589 -1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.537 2.008 -2.538 1.00 0.00 H new ATOM 1529 N SER A 103 9.458 2.421 -3.989 1.00 0.00 N ATOM 1530 CA SER A 103 8.173 1.778 -3.743 1.00 0.00 C ATOM 1531 C SER A 103 8.146 1.129 -2.362 1.00 0.00 C ATOM 1532 O SER A 103 8.949 0.246 -2.063 1.00 0.00 O ATOM 1533 CB SER A 103 7.891 0.726 -4.818 1.00 0.00 C ATOM 1534 OG SER A 103 8.853 -0.314 -4.779 1.00 0.00 O ATOM 0 H SER A 103 10.147 1.825 -4.449 1.00 0.00 H new ATOM 0 HA SER A 103 7.398 2.544 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.894 0.309 -4.671 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.898 1.196 -5.802 1.00 0.00 H new ATOM 0 HG SER A 103 9.228 -0.379 -3.876 1.00 0.00 H new ATOM 1540 N SER A 104 7.215 1.575 -1.524 1.00 0.00 N ATOM 1541 CA SER A 104 7.084 1.042 -0.173 1.00 0.00 C ATOM 1542 C SER A 104 7.010 -0.482 -0.195 1.00 0.00 C ATOM 1543 O SER A 104 6.897 -1.093 -1.257 1.00 0.00 O ATOM 1544 CB SER A 104 5.838 1.615 0.506 1.00 0.00 C ATOM 1545 OG SER A 104 4.660 1.003 0.009 1.00 0.00 O ATOM 0 H SER A 104 6.541 2.304 -1.757 1.00 0.00 H new ATOM 0 HA SER A 104 7.966 1.337 0.395 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.904 1.462 1.583 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.791 2.691 0.339 1.00 0.00 H new ATOM 0 HG SER A 104 3.925 1.146 0.642 1.00 0.00 H new ATOM 1551 N ALA A 105 7.075 -1.088 0.986 1.00 0.00 N ATOM 1552 CA ALA A 105 7.013 -2.540 1.104 1.00 0.00 C ATOM 1553 C ALA A 105 5.640 -3.065 0.700 1.00 0.00 C ATOM 1554 O ALA A 105 4.615 -2.416 0.906 1.00 0.00 O ATOM 1555 CB ALA A 105 7.347 -2.968 2.525 1.00 0.00 C ATOM 0 H ALA A 105 7.171 -0.596 1.874 1.00 0.00 H new ATOM 0 HA ALA A 105 7.751 -2.967 0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.297 -4.054 2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.353 -2.633 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.631 -2.524 3.217 1.00 0.00 H new ATOM 1561 N PRO A 106 5.617 -4.270 0.110 1.00 0.00 N ATOM 1562 CA PRO A 106 4.375 -4.909 -0.336 1.00 0.00 C ATOM 1563 C PRO A 106 3.501 -5.355 0.832 1.00 0.00 C ATOM 1564 O PRO A 106 3.866 -6.262 1.582 1.00 0.00 O ATOM 1565 CB PRO A 106 4.866 -6.122 -1.130 1.00 0.00 C ATOM 1566 CG PRO A 106 6.211 -6.425 -0.566 1.00 0.00 C ATOM 1567 CD PRO A 106 6.801 -5.101 -0.167 1.00 0.00 C ATOM 0 HA PRO A 106 3.751 -4.228 -0.914 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.189 -6.969 -1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.924 -5.900 -2.196 1.00 0.00 H new ATOM 0 HG2 PRO A 106 6.133 -7.092 0.293 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.839 -6.926 -1.303 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.441 -5.194 0.711 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.412 -4.677 -0.964 1.00 0.00 H new ATOM 1575 N LEU A 107 2.347 -4.714 0.980 1.00 0.00 N ATOM 1576 CA LEU A 107 1.421 -5.046 2.057 1.00 0.00 C ATOM 1577 C LEU A 107 0.427 -6.114 1.611 1.00 0.00 C ATOM 1578 O LEU A 107 -0.166 -6.014 0.537 1.00 0.00 O ATOM 1579 CB LEU A 107 0.670 -3.794 2.513 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.446 -4.016 3.535 1.00 0.00 C ATOM 1581 CD1 LEU A 107 0.134 -4.440 4.875 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.286 -2.756 3.689 1.00 0.00 C ATOM 0 H LEU A 107 2.030 -3.962 0.368 1.00 0.00 H new ATOM 0 HA LEU A 107 2.000 -5.441 2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.392 -3.097 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.241 -3.312 1.635 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.091 -4.816 3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.675 -4.593 5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.691 -5.369 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.802 -3.662 5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.075 -2.932 4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.653 -1.936 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.732 -2.496 2.729 1.00 0.00 H new ATOM 1594 N ARG A 108 0.250 -7.135 2.444 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.672 -8.221 2.136 1.00 0.00 C ATOM 1596 C ARG A 108 -2.043 -7.962 2.753 1.00 0.00 C ATOM 1597 O ARG A 108 -2.183 -7.896 3.974 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.114 -9.551 2.645 1.00 0.00 C ATOM 1599 CG ARG A 108 -1.036 -10.734 2.396 1.00 0.00 C ATOM 1600 CD ARG A 108 -0.258 -12.036 2.294 1.00 0.00 C ATOM 1601 NE ARG A 108 -1.051 -13.183 2.727 1.00 0.00 N ATOM 1602 CZ ARG A 108 -1.407 -13.396 3.989 1.00 0.00 C ATOM 1603 NH1 ARG A 108 -1.044 -12.543 4.937 1.00 0.00 N ATOM 1604 NH2 ARG A 108 -2.130 -14.463 4.305 1.00 0.00 N ATOM 0 H ARG A 108 0.733 -7.232 3.337 1.00 0.00 H new ATOM 0 HA ARG A 108 -0.785 -8.273 1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 108 0.845 -9.741 2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 108 0.077 -9.469 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.763 -10.806 3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.597 -10.572 1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 108 0.064 -12.186 1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 108 0.644 -11.968 2.903 1.00 0.00 H new ATOM 0 HE ARG A 108 -1.348 -13.858 2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -0.490 -11.721 4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -1.319 -12.709 5.905 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -2.413 -15.121 3.579 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.403 -14.625 5.274 1.00 0.00 H new ATOM 1618 N VAL A 109 -3.052 -7.815 1.900 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.412 -7.563 2.361 1.00 0.00 C ATOM 1620 C VAL A 109 -5.388 -8.577 1.773 1.00 0.00 C ATOM 1621 O VAL A 109 -5.273 -8.960 0.610 1.00 0.00 O ATOM 1622 CB VAL A 109 -4.878 -6.143 1.988 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.256 -5.863 2.567 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -3.869 -5.109 2.465 1.00 0.00 C ATOM 0 H VAL A 109 -2.953 -7.866 0.886 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.401 -7.660 3.447 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.947 -6.076 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.568 -4.855 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.971 -6.584 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.219 -5.948 3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.214 -4.111 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.765 -5.174 3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.904 -5.299 1.996 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.348 -9.006 2.587 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.343 -9.976 2.147 1.00 0.00 C ATOM 1636 C GLU A 110 -8.756 -9.438 2.355 1.00 0.00 C ATOM 1637 O GLU A 110 -9.178 -9.189 3.485 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.172 -11.295 2.903 1.00 0.00 C ATOM 1639 CG GLU A 110 -8.103 -12.396 2.425 1.00 0.00 C ATOM 1640 CD GLU A 110 -8.060 -13.624 3.314 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -6.981 -14.243 3.418 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -9.106 -13.965 3.906 1.00 0.00 O ATOM 0 H GLU A 110 -6.457 -8.697 3.553 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.193 -10.154 1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.141 -11.632 2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.345 -11.120 3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.123 -12.014 2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.833 -12.679 1.408 1.00 0.00 H new ATOM 1649 N THR A 111 -9.483 -9.260 1.256 1.00 0.00 N ATOM 1650 CA THR A 111 -10.847 -8.750 1.317 1.00 0.00 C ATOM 1651 C THR A 111 -11.746 -9.679 2.125 1.00 0.00 C ATOM 1652 O THR A 111 -11.296 -10.706 2.631 1.00 0.00 O ATOM 1653 CB THR A 111 -11.444 -8.574 -0.092 1.00 0.00 C ATOM 1654 OG1 THR A 111 -10.973 -9.614 -0.957 1.00 0.00 O ATOM 1655 CG2 THR A 111 -11.072 -7.218 -0.673 1.00 0.00 C ATOM 0 H THR A 111 -9.150 -9.462 0.313 1.00 0.00 H new ATOM 0 HA THR A 111 -10.799 -7.778 1.808 1.00 0.00 H new ATOM 0 HB THR A 111 -12.530 -8.632 -0.012 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.071 -9.332 -1.891 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.505 -7.117 -1.668 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.457 -6.428 -0.028 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.987 -7.136 -0.739 1.00 0.00 H new ATOM 1663 N GLN A 112 -13.018 -9.311 2.240 1.00 0.00 N ATOM 1664 CA GLN A 112 -13.980 -10.113 2.987 1.00 0.00 C ATOM 1665 C GLN A 112 -14.952 -10.814 2.044 1.00 0.00 C ATOM 1666 O GLN A 112 -15.394 -10.256 1.040 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.751 -9.234 3.973 1.00 0.00 C ATOM 1668 CG GLN A 112 -13.969 -8.020 4.447 1.00 0.00 C ATOM 1669 CD GLN A 112 -14.392 -7.555 5.826 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -15.252 -8.164 6.463 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -13.790 -6.469 6.296 1.00 0.00 N ATOM 0 H GLN A 112 -13.406 -8.463 1.826 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.430 -10.873 3.542 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.675 -8.899 3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -15.033 -9.834 4.838 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.906 -8.260 4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -14.104 -7.205 3.736 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.082 -5.995 5.735 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.035 -6.109 7.218 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.296 -12.068 2.374 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.220 -12.873 1.569 1.00 0.00 C ATOM 1682 C PRO A 113 -17.653 -12.358 1.643 1.00 0.00 C ATOM 1683 O PRO A 113 -18.324 -12.509 2.663 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.119 -14.265 2.200 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.690 -14.014 3.604 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.808 -12.797 3.557 1.00 0.00 C ATOM 0 HA PRO A 113 -15.964 -12.850 0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.076 -14.786 2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.398 -14.888 1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.551 -13.847 4.251 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.151 -14.871 4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.900 -12.199 4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.756 -13.066 3.458 1.00 0.00 H new