USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=27 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= -5.04 K(o=-6.1,f=-8.3!) USER MOD Set 1.2: A 98 HIS :FLIP no HD1:sc= -1.06 F(o=-7.7,f=-6.1) USER MOD Set 2.1: A 93 MET CE :methyl 147:sc= -1.26 (180deg=-2.92!) USER MOD Set 2.2: A 103 SER OG : rot -25:sc= 0.916 USER MOD Set 3.1: A 53 SER OG : rot 153:sc= 0.909 USER MOD Set 3.2: A 95 GLN :FLIP amide:sc= 0.591 F(o=0.038,f=1.5) USER MOD Set 4.1: A 52 TYR OH : rot -150:sc= -0.776 USER MOD Set 4.2: A 75 MET CE :methyl 164:sc= -2.32 (180deg=-2.63!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 170:sc= 0.793 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.729 USER MOD Single : A 40 THR OG1 : rot 178:sc= 0.546 USER MOD Single : A 43 SER OG : rot 77:sc= 0.604 USER MOD Single : A 46 HIS : no HD1:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.053 F(o=-0.93,f=-0.053) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00121 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN :FLIP amide:sc= 0.081 F(o=-1.5!,f=0.081) USER MOD Single : A 69 THR OG1 : rot 95:sc= 1.19 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.0371 X(o=-0.037,f=-0.037) USER MOD Single : A 76 GLN : amide:sc= -7.72! C(o=-7.7!,f=-11!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 81 ASN : amide:sc= -0.584 X(o=-0.58,f=-0.97) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -150:sc= 1.18 USER MOD Single : A 88 TYR OH : rot 30:sc= -0.137 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 32:sc= 0.387 USER MOD Single : A 104 SER OG : rot -108:sc= -1.36! USER MOD Single : A 111 THR OG1 : rot -158:sc= 2.18 USER MOD Single : A 112 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 182 N LEU A 17 15.777 11.002 -5.887 1.00 0.00 N ATOM 183 CA LEU A 17 14.359 10.694 -5.734 1.00 0.00 C ATOM 184 C LEU A 17 13.997 10.516 -4.263 1.00 0.00 C ATOM 185 O LEU A 17 14.832 10.162 -3.430 1.00 0.00 O ATOM 186 CB LEU A 17 14.006 9.426 -6.514 1.00 0.00 C ATOM 187 CG LEU A 17 13.911 9.578 -8.033 1.00 0.00 C ATOM 188 CD1 LEU A 17 13.976 8.218 -8.710 1.00 0.00 C ATOM 189 CD2 LEU A 17 12.632 10.306 -8.417 1.00 0.00 C ATOM 0 HA LEU A 17 13.785 11.531 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.755 8.666 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.051 9.051 -6.146 1.00 0.00 H new ATOM 0 HG LEU A 17 14.759 10.172 -8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.907 8.346 -9.790 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.920 7.733 -8.462 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.148 7.599 -8.364 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.581 10.405 -9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.771 9.739 -8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.626 11.296 -7.961 1.00 0.00 H new ATOM 201 N PRO A 18 12.721 10.766 -3.934 1.00 0.00 N ATOM 202 CA PRO A 18 12.217 10.638 -2.563 1.00 0.00 C ATOM 203 C PRO A 18 12.155 9.186 -2.101 1.00 0.00 C ATOM 204 O PRO A 18 12.533 8.274 -2.837 1.00 0.00 O ATOM 205 CB PRO A 18 10.810 11.234 -2.645 1.00 0.00 C ATOM 206 CG PRO A 18 10.408 11.062 -4.069 1.00 0.00 C ATOM 207 CD PRO A 18 11.671 11.192 -4.874 1.00 0.00 C ATOM 0 HA PRO A 18 12.865 11.138 -1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.122 10.719 -1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.808 12.285 -2.357 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.942 10.090 -4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.679 11.817 -4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.648 10.561 -5.763 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.827 12.216 -5.214 1.00 0.00 H new ATOM 215 N SER A 19 11.675 8.978 -0.880 1.00 0.00 N ATOM 216 CA SER A 19 11.566 7.637 -0.319 1.00 0.00 C ATOM 217 C SER A 19 10.108 7.279 -0.044 1.00 0.00 C ATOM 218 O SER A 19 9.307 8.137 0.328 1.00 0.00 O ATOM 219 CB SER A 19 12.381 7.533 0.972 1.00 0.00 C ATOM 220 OG SER A 19 12.735 6.188 1.244 1.00 0.00 O ATOM 0 H SER A 19 11.355 9.722 -0.260 1.00 0.00 H new ATOM 0 HA SER A 19 11.963 6.932 -1.049 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.283 8.140 0.887 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.803 7.936 1.804 1.00 0.00 H new ATOM 0 HG SER A 19 13.257 6.148 2.073 1.00 0.00 H new ATOM 226 N ALA A 20 9.772 6.007 -0.229 1.00 0.00 N ATOM 227 CA ALA A 20 8.413 5.535 0.000 1.00 0.00 C ATOM 228 C ALA A 20 7.938 5.890 1.405 1.00 0.00 C ATOM 229 O ALA A 20 8.731 6.039 2.335 1.00 0.00 O ATOM 230 CB ALA A 20 8.332 4.032 -0.222 1.00 0.00 C ATOM 0 H ALA A 20 10.423 5.285 -0.537 1.00 0.00 H new ATOM 0 HA ALA A 20 7.757 6.033 -0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.311 3.693 -0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.621 3.799 -1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.006 3.525 0.469 1.00 0.00 H new ATOM 236 N PRO A 21 6.614 6.031 1.565 1.00 0.00 N ATOM 237 CA PRO A 21 6.004 6.371 2.854 1.00 0.00 C ATOM 238 C PRO A 21 6.103 5.231 3.862 1.00 0.00 C ATOM 239 O PRO A 21 6.554 4.134 3.530 1.00 0.00 O ATOM 240 CB PRO A 21 4.541 6.641 2.494 1.00 0.00 C ATOM 241 CG PRO A 21 4.306 5.856 1.250 1.00 0.00 C ATOM 242 CD PRO A 21 5.610 5.868 0.500 1.00 0.00 C ATOM 0 HA PRO A 21 6.503 7.215 3.330 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.872 6.325 3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.363 7.704 2.331 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.000 4.836 1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.509 6.299 0.654 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.762 4.944 -0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.652 6.685 -0.220 1.00 0.00 H new ATOM 250 N ARG A 22 5.679 5.496 5.093 1.00 0.00 N ATOM 251 CA ARG A 22 5.721 4.491 6.148 1.00 0.00 C ATOM 252 C ARG A 22 4.335 4.275 6.749 1.00 0.00 C ATOM 253 O ARG A 22 3.345 4.824 6.265 1.00 0.00 O ATOM 254 CB ARG A 22 6.703 4.912 7.243 1.00 0.00 C ATOM 255 CG ARG A 22 7.843 5.782 6.738 1.00 0.00 C ATOM 256 CD ARG A 22 7.492 7.260 6.814 1.00 0.00 C ATOM 257 NE ARG A 22 7.240 7.693 8.186 1.00 0.00 N ATOM 258 CZ ARG A 22 8.203 7.943 9.066 1.00 0.00 C ATOM 259 NH1 ARG A 22 9.475 7.804 8.719 1.00 0.00 N ATOM 260 NH2 ARG A 22 7.895 8.333 10.296 1.00 0.00 N ATOM 0 H ARG A 22 5.302 6.398 5.384 1.00 0.00 H new ATOM 0 HA ARG A 22 6.058 3.552 5.708 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.160 5.453 8.018 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.118 4.019 7.710 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.739 5.589 7.328 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.077 5.515 5.707 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.307 7.848 6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.610 7.455 6.205 1.00 0.00 H new ATOM 0 HE ARG A 22 6.272 7.810 8.485 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.716 7.504 7.774 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.213 7.997 9.397 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.918 8.441 10.567 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.636 8.525 10.971 1.00 0.00 H new ATOM 274 N ASP A 23 4.273 3.472 7.805 1.00 0.00 N ATOM 275 CA ASP A 23 3.008 3.184 8.473 1.00 0.00 C ATOM 276 C ASP A 23 1.944 2.767 7.463 1.00 0.00 C ATOM 277 O ASP A 23 0.770 3.109 7.606 1.00 0.00 O ATOM 278 CB ASP A 23 2.532 4.406 9.259 1.00 0.00 C ATOM 279 CG ASP A 23 1.264 4.131 10.044 1.00 0.00 C ATOM 280 OD1 ASP A 23 1.352 3.474 11.102 1.00 0.00 O ATOM 281 OD2 ASP A 23 0.183 4.573 9.599 1.00 0.00 O ATOM 0 H ASP A 23 5.083 3.009 8.217 1.00 0.00 H new ATOM 0 HA ASP A 23 3.170 2.358 9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.318 4.723 9.944 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.357 5.232 8.570 1.00 0.00 H new ATOM 286 N VAL A 24 2.362 2.027 6.441 1.00 0.00 N ATOM 287 CA VAL A 24 1.445 1.563 5.407 1.00 0.00 C ATOM 288 C VAL A 24 0.494 0.503 5.951 1.00 0.00 C ATOM 289 O VAL A 24 0.881 -0.647 6.158 1.00 0.00 O ATOM 290 CB VAL A 24 2.206 0.983 4.200 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.235 0.400 3.185 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.083 2.049 3.561 1.00 0.00 C ATOM 0 H VAL A 24 3.330 1.736 6.307 1.00 0.00 H new ATOM 0 HA VAL A 24 0.870 2.430 5.082 1.00 0.00 H new ATOM 0 HB VAL A 24 2.851 0.178 4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.792 -0.005 2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.655 -0.396 3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.562 1.182 2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.613 1.622 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.461 2.877 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.804 2.413 4.292 1.00 0.00 H new ATOM 302 N VAL A 25 -0.755 0.898 6.180 1.00 0.00 N ATOM 303 CA VAL A 25 -1.763 -0.019 6.699 1.00 0.00 C ATOM 304 C VAL A 25 -3.099 0.175 5.990 1.00 0.00 C ATOM 305 O VAL A 25 -3.270 1.113 5.213 1.00 0.00 O ATOM 306 CB VAL A 25 -1.967 0.170 8.214 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.654 -0.021 8.958 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.559 1.541 8.505 1.00 0.00 C ATOM 0 H VAL A 25 -1.092 1.846 6.014 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.398 -1.029 6.512 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.669 -0.586 8.565 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.818 0.116 10.027 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.275 -1.027 8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.074 0.710 8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.696 1.657 9.580 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.883 2.314 8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.522 1.635 8.004 1.00 0.00 H new ATOM 318 N ALA A 26 -4.043 -0.720 6.263 1.00 0.00 N ATOM 319 CA ALA A 26 -5.364 -0.646 5.653 1.00 0.00 C ATOM 320 C ALA A 26 -6.410 -0.182 6.662 1.00 0.00 C ATOM 321 O ALA A 26 -6.868 -0.961 7.498 1.00 0.00 O ATOM 322 CB ALA A 26 -5.753 -1.997 5.071 1.00 0.00 C ATOM 0 H ALA A 26 -3.917 -1.504 6.903 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.324 0.087 4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.742 -1.927 4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.027 -2.289 4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.769 -2.744 5.865 1.00 0.00 H new ATOM 328 N SER A 27 -6.782 1.091 6.578 1.00 0.00 N ATOM 329 CA SER A 27 -7.770 1.660 7.487 1.00 0.00 C ATOM 330 C SER A 27 -9.050 0.829 7.487 1.00 0.00 C ATOM 331 O SER A 27 -9.780 0.791 8.479 1.00 0.00 O ATOM 332 CB SER A 27 -8.086 3.104 7.092 1.00 0.00 C ATOM 333 OG SER A 27 -9.326 3.521 7.636 1.00 0.00 O ATOM 0 H SER A 27 -6.414 1.748 5.890 1.00 0.00 H new ATOM 0 HA SER A 27 -7.350 1.650 8.493 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.291 3.763 7.443 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.115 3.189 6.006 1.00 0.00 H new ATOM 0 HG SER A 27 -9.505 4.447 7.371 1.00 0.00 H new ATOM 339 N LEU A 28 -9.316 0.164 6.368 1.00 0.00 N ATOM 340 CA LEU A 28 -10.508 -0.667 6.238 1.00 0.00 C ATOM 341 C LEU A 28 -10.369 -1.637 5.068 1.00 0.00 C ATOM 342 O LEU A 28 -9.650 -1.367 4.106 1.00 0.00 O ATOM 343 CB LEU A 28 -11.746 0.209 6.044 1.00 0.00 C ATOM 344 CG LEU A 28 -12.947 -0.463 5.377 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.240 0.223 5.789 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.793 -0.450 3.863 1.00 0.00 C ATOM 0 H LEU A 28 -8.723 0.184 5.538 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.620 -1.245 7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.059 0.582 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.463 1.076 5.447 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.989 -1.500 5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.083 -0.269 5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.356 0.161 6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.209 1.270 5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.657 -0.932 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.725 0.580 3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.887 -0.988 3.585 1.00 0.00 H new ATOM 358 N VAL A 29 -11.064 -2.767 5.157 1.00 0.00 N ATOM 359 CA VAL A 29 -11.022 -3.776 4.106 1.00 0.00 C ATOM 360 C VAL A 29 -12.425 -4.129 3.626 1.00 0.00 C ATOM 361 O VAL A 29 -13.131 -4.912 4.261 1.00 0.00 O ATOM 362 CB VAL A 29 -10.318 -5.058 4.586 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.489 -6.175 3.568 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.844 -4.789 4.852 1.00 0.00 C ATOM 0 H VAL A 29 -11.663 -3.006 5.947 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.456 -3.347 3.279 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.780 -5.377 5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.985 -7.073 3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.550 -6.384 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.055 -5.869 2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.362 -5.706 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.366 -4.445 3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.747 -4.023 5.621 1.00 0.00 H new ATOM 374 N SER A 30 -12.824 -3.546 2.500 1.00 0.00 N ATOM 375 CA SER A 30 -14.146 -3.796 1.936 1.00 0.00 C ATOM 376 C SER A 30 -14.130 -5.035 1.046 1.00 0.00 C ATOM 377 O SER A 30 -13.068 -5.520 0.654 1.00 0.00 O ATOM 378 CB SER A 30 -14.619 -2.583 1.133 1.00 0.00 C ATOM 379 OG SER A 30 -15.532 -2.967 0.120 1.00 0.00 O ATOM 0 H SER A 30 -12.251 -2.897 1.960 1.00 0.00 H new ATOM 0 HA SER A 30 -14.839 -3.970 2.759 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.093 -1.863 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.761 -2.083 0.683 1.00 0.00 H new ATOM 0 HG SER A 30 -15.941 -2.167 -0.272 1.00 0.00 H new ATOM 385 N THR A 31 -15.317 -5.544 0.731 1.00 0.00 N ATOM 386 CA THR A 31 -15.442 -6.728 -0.111 1.00 0.00 C ATOM 387 C THR A 31 -15.194 -6.388 -1.576 1.00 0.00 C ATOM 388 O THR A 31 -14.809 -7.250 -2.366 1.00 0.00 O ATOM 389 CB THR A 31 -16.835 -7.370 0.027 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.852 -6.398 -0.240 1.00 0.00 O ATOM 391 CG2 THR A 31 -17.030 -7.945 1.422 1.00 0.00 C ATOM 0 H THR A 31 -16.206 -5.155 1.046 1.00 0.00 H new ATOM 0 HA THR A 31 -14.688 -7.439 0.227 1.00 0.00 H new ATOM 0 HB THR A 31 -16.910 -8.181 -0.697 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.734 -6.815 -0.152 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.021 -8.393 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.273 -8.706 1.611 1.00 0.00 H new ATOM 0 HG23 THR A 31 -16.936 -7.149 2.160 1.00 0.00 H new ATOM 399 N ARG A 32 -15.417 -5.127 -1.932 1.00 0.00 N ATOM 400 CA ARG A 32 -15.218 -4.675 -3.304 1.00 0.00 C ATOM 401 C ARG A 32 -14.096 -3.643 -3.378 1.00 0.00 C ATOM 402 O ARG A 32 -13.739 -3.176 -4.460 1.00 0.00 O ATOM 403 CB ARG A 32 -16.512 -4.077 -3.859 1.00 0.00 C ATOM 404 CG ARG A 32 -17.707 -5.011 -3.758 1.00 0.00 C ATOM 405 CD ARG A 32 -19.007 -4.290 -4.078 1.00 0.00 C ATOM 406 NE ARG A 32 -20.017 -5.197 -4.617 1.00 0.00 N ATOM 407 CZ ARG A 32 -21.307 -4.892 -4.703 1.00 0.00 C ATOM 408 NH1 ARG A 32 -21.741 -3.710 -4.287 1.00 0.00 N ATOM 409 NH2 ARG A 32 -22.166 -5.770 -5.205 1.00 0.00 N ATOM 0 H ARG A 32 -15.735 -4.401 -1.290 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.936 -5.538 -3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.736 -3.155 -3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.359 -3.808 -4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.575 -5.847 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.759 -5.429 -2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.391 -3.816 -3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.813 -3.495 -4.798 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.715 -6.114 -4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -21.084 -3.033 -3.900 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -22.732 -3.478 -4.354 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -21.836 -6.680 -5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -23.156 -5.534 -5.270 1.00 0.00 H new ATOM 423 N PHE A 33 -13.544 -3.292 -2.221 1.00 0.00 N ATOM 424 CA PHE A 33 -12.464 -2.315 -2.155 1.00 0.00 C ATOM 425 C PHE A 33 -11.698 -2.439 -0.841 1.00 0.00 C ATOM 426 O PHE A 33 -12.017 -3.282 -0.002 1.00 0.00 O ATOM 427 CB PHE A 33 -13.020 -0.897 -2.302 1.00 0.00 C ATOM 428 CG PHE A 33 -13.525 -0.314 -1.013 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.668 0.367 -0.163 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.855 -0.448 -0.650 1.00 0.00 C ATOM 431 CE1 PHE A 33 -13.129 0.904 1.024 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.322 0.088 0.535 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.458 0.764 1.374 1.00 0.00 C ATOM 0 H PHE A 33 -13.827 -3.670 -1.317 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.776 -2.515 -2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.240 -0.250 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.832 -0.907 -3.029 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.628 0.479 -0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.535 -0.978 -1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.451 1.433 1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.362 -0.022 0.805 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.820 1.182 2.301 1.00 0.00 H new ATOM 443 N ILE A 34 -10.687 -1.594 -0.671 1.00 0.00 N ATOM 444 CA ILE A 34 -9.876 -1.609 0.540 1.00 0.00 C ATOM 445 C ILE A 34 -9.328 -0.220 0.852 1.00 0.00 C ATOM 446 O ILE A 34 -8.706 0.419 0.003 1.00 0.00 O ATOM 447 CB ILE A 34 -8.700 -2.596 0.419 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.214 -3.993 0.061 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.905 -2.635 1.715 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.112 -4.979 -0.257 1.00 0.00 C ATOM 0 H ILE A 34 -10.410 -0.891 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.528 -1.931 1.352 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.040 -2.256 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.806 -4.377 0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.881 -3.917 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.077 -3.337 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.513 -1.641 1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.554 -2.955 2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.549 -5.947 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.534 -4.617 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.457 -5.085 0.608 1.00 0.00 H new ATOM 462 N LYS A 35 -9.561 0.241 2.076 1.00 0.00 N ATOM 463 CA LYS A 35 -9.089 1.553 2.503 1.00 0.00 C ATOM 464 C LYS A 35 -7.640 1.483 2.974 1.00 0.00 C ATOM 465 O LYS A 35 -7.306 0.709 3.872 1.00 0.00 O ATOM 466 CB LYS A 35 -9.976 2.096 3.625 1.00 0.00 C ATOM 467 CG LYS A 35 -9.788 3.581 3.884 1.00 0.00 C ATOM 468 CD LYS A 35 -10.707 4.420 3.011 1.00 0.00 C ATOM 469 CE LYS A 35 -10.472 5.908 3.223 1.00 0.00 C ATOM 470 NZ LYS A 35 -11.443 6.737 2.458 1.00 0.00 N ATOM 0 H LYS A 35 -10.074 -0.275 2.791 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.142 2.227 1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.020 1.909 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.765 1.546 4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.986 3.796 4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.751 3.856 3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.543 4.170 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.746 4.179 3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.553 6.141 4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.457 6.163 2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.250 7.744 2.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.349 6.534 1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.410 6.513 2.767 1.00 0.00 H new ATOM 484 N LEU A 36 -6.784 2.295 2.364 1.00 0.00 N ATOM 485 CA LEU A 36 -5.371 2.327 2.723 1.00 0.00 C ATOM 486 C LEU A 36 -5.033 3.598 3.495 1.00 0.00 C ATOM 487 O LEU A 36 -5.720 4.612 3.375 1.00 0.00 O ATOM 488 CB LEU A 36 -4.503 2.234 1.466 1.00 0.00 C ATOM 489 CG LEU A 36 -4.127 0.823 1.012 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.303 0.121 2.079 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.376 0.018 0.685 1.00 0.00 C ATOM 0 H LEU A 36 -7.044 2.940 1.618 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.165 1.470 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.028 2.729 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.585 2.795 1.641 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.522 0.902 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.045 -0.882 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.390 0.687 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.882 0.053 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.090 -0.983 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.006 -0.052 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.928 0.512 -0.115 1.00 0.00 H new ATOM 503 N THR A 37 -3.968 3.537 4.289 1.00 0.00 N ATOM 504 CA THR A 37 -3.538 4.682 5.080 1.00 0.00 C ATOM 505 C THR A 37 -2.054 4.590 5.420 1.00 0.00 C ATOM 506 O THR A 37 -1.569 3.541 5.842 1.00 0.00 O ATOM 507 CB THR A 37 -4.345 4.798 6.387 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.366 3.535 7.063 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.770 5.251 6.104 1.00 0.00 C ATOM 0 H THR A 37 -3.388 2.706 4.401 1.00 0.00 H new ATOM 0 HA THR A 37 -3.715 5.569 4.472 1.00 0.00 H new ATOM 0 HB THR A 37 -3.863 5.542 7.022 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.880 3.617 7.894 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.321 5.326 7.042 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.752 6.225 5.615 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.259 4.527 5.452 1.00 0.00 H new ATOM 517 N TRP A 38 -1.340 5.694 5.233 1.00 0.00 N ATOM 518 CA TRP A 38 0.089 5.737 5.520 1.00 0.00 C ATOM 519 C TRP A 38 0.517 7.138 5.946 1.00 0.00 C ATOM 520 O TRP A 38 -0.227 8.103 5.772 1.00 0.00 O ATOM 521 CB TRP A 38 0.890 5.297 4.294 1.00 0.00 C ATOM 522 CG TRP A 38 0.645 6.150 3.087 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.209 7.363 2.811 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.230 5.855 1.992 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.738 7.839 1.612 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.146 6.932 1.089 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.074 4.784 1.687 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.876 6.969 -0.096 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.798 4.822 0.510 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.695 5.907 -0.370 1.00 0.00 C ATOM 0 H TRP A 38 -1.727 6.571 4.884 1.00 0.00 H new ATOM 0 HA TRP A 38 0.290 5.050 6.342 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.953 5.319 4.536 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.639 4.263 4.057 1.00 0.00 H new ATOM 0 HD1 TRP A 38 1.921 7.873 3.443 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.003 8.724 1.181 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.159 3.942 2.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.799 7.806 -0.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.455 4.001 0.265 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.273 5.906 -1.282 1.00 0.00 H new ATOM 541 N ARG A 39 1.718 7.240 6.505 1.00 0.00 N ATOM 542 CA ARG A 39 2.243 8.523 6.957 1.00 0.00 C ATOM 543 C ARG A 39 3.191 9.118 5.920 1.00 0.00 C ATOM 544 O ARG A 39 3.457 8.509 4.883 1.00 0.00 O ATOM 545 CB ARG A 39 2.970 8.359 8.293 1.00 0.00 C ATOM 546 CG ARG A 39 2.035 8.281 9.489 1.00 0.00 C ATOM 547 CD ARG A 39 2.801 8.352 10.801 1.00 0.00 C ATOM 548 NE ARG A 39 3.161 9.724 11.150 1.00 0.00 N ATOM 549 CZ ARG A 39 3.837 10.049 12.247 1.00 0.00 C ATOM 550 NH1 ARG A 39 4.223 9.107 13.096 1.00 0.00 N ATOM 551 NH2 ARG A 39 4.127 11.320 12.495 1.00 0.00 N ATOM 0 H ARG A 39 2.346 6.450 6.656 1.00 0.00 H new ATOM 0 HA ARG A 39 1.403 9.204 7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.578 7.455 8.258 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.653 9.197 8.431 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.314 9.097 9.443 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.467 7.352 9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.195 7.922 11.598 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.705 7.748 10.726 1.00 0.00 H new ATOM 0 HE ARG A 39 2.878 10.473 10.518 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.001 8.129 12.908 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.742 9.360 13.937 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.831 12.047 11.844 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.646 11.570 13.337 1.00 0.00 H new ATOM 565 N THR A 40 3.698 10.313 6.206 1.00 0.00 N ATOM 566 CA THR A 40 4.615 10.992 5.298 1.00 0.00 C ATOM 567 C THR A 40 5.984 10.320 5.296 1.00 0.00 C ATOM 568 O THR A 40 6.437 9.776 6.303 1.00 0.00 O ATOM 569 CB THR A 40 4.784 12.475 5.675 1.00 0.00 C ATOM 570 OG1 THR A 40 4.673 12.636 7.094 1.00 0.00 O ATOM 571 CG2 THR A 40 3.738 13.333 4.980 1.00 0.00 C ATOM 0 H THR A 40 3.489 10.831 7.060 1.00 0.00 H new ATOM 0 HA THR A 40 4.179 10.926 4.301 1.00 0.00 H new ATOM 0 HB THR A 40 5.772 12.799 5.349 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.809 13.578 7.328 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.878 14.377 5.262 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.843 13.232 3.900 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.742 13.006 5.279 1.00 0.00 H new ATOM 579 N PRO A 41 6.661 10.359 4.139 1.00 0.00 N ATOM 580 CA PRO A 41 7.989 9.760 3.979 1.00 0.00 C ATOM 581 C PRO A 41 9.065 10.521 4.747 1.00 0.00 C ATOM 582 O PRO A 41 8.927 11.716 5.006 1.00 0.00 O ATOM 583 CB PRO A 41 8.241 9.854 2.472 1.00 0.00 C ATOM 584 CG PRO A 41 7.401 10.997 2.017 1.00 0.00 C ATOM 585 CD PRO A 41 6.182 10.991 2.898 1.00 0.00 C ATOM 0 HA PRO A 41 8.027 8.743 4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.295 10.028 2.257 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.960 8.930 1.966 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.942 11.939 2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.125 10.886 0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.811 12.000 3.078 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.365 10.427 2.449 1.00 0.00 H new ATOM 593 N ALA A 42 10.135 9.820 5.107 1.00 0.00 N ATOM 594 CA ALA A 42 11.235 10.431 5.843 1.00 0.00 C ATOM 595 C ALA A 42 11.814 11.618 5.081 1.00 0.00 C ATOM 596 O ALA A 42 12.233 12.608 5.680 1.00 0.00 O ATOM 597 CB ALA A 42 12.319 9.401 6.123 1.00 0.00 C ATOM 0 H ALA A 42 10.263 8.829 4.901 1.00 0.00 H new ATOM 0 HA ALA A 42 10.844 10.798 6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.134 9.871 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.903 8.587 6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.698 9.006 5.180 1.00 0.00 H new ATOM 603 N SER A 43 11.835 11.511 3.756 1.00 0.00 N ATOM 604 CA SER A 43 12.368 12.574 2.911 1.00 0.00 C ATOM 605 C SER A 43 11.437 13.782 2.908 1.00 0.00 C ATOM 606 O SER A 43 11.887 14.927 2.955 1.00 0.00 O ATOM 607 CB SER A 43 12.568 12.066 1.482 1.00 0.00 C ATOM 608 OG SER A 43 11.378 12.196 0.723 1.00 0.00 O ATOM 0 H SER A 43 11.489 10.699 3.244 1.00 0.00 H new ATOM 0 HA SER A 43 13.332 12.880 3.318 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.371 12.626 1.003 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.877 11.021 1.504 1.00 0.00 H new ATOM 0 HG SER A 43 11.261 13.132 0.456 1.00 0.00 H new ATOM 614 N ASP A 44 10.136 13.519 2.852 1.00 0.00 N ATOM 615 CA ASP A 44 9.140 14.584 2.844 1.00 0.00 C ATOM 616 C ASP A 44 8.111 14.375 3.951 1.00 0.00 C ATOM 617 O ASP A 44 7.154 13.613 3.807 1.00 0.00 O ATOM 618 CB ASP A 44 8.440 14.646 1.485 1.00 0.00 C ATOM 619 CG ASP A 44 9.289 15.323 0.427 1.00 0.00 C ATOM 620 OD1 ASP A 44 10.329 14.748 0.044 1.00 0.00 O ATOM 621 OD2 ASP A 44 8.912 16.427 -0.018 1.00 0.00 O ATOM 0 H ASP A 44 9.746 12.577 2.811 1.00 0.00 H new ATOM 0 HA ASP A 44 9.653 15.529 3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.196 13.635 1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.497 15.184 1.589 1.00 0.00 H new ATOM 626 N PRO A 45 8.311 15.065 5.083 1.00 0.00 N ATOM 627 CA PRO A 45 7.412 14.971 6.237 1.00 0.00 C ATOM 628 C PRO A 45 6.056 15.615 5.969 1.00 0.00 C ATOM 629 O PRO A 45 5.128 15.488 6.769 1.00 0.00 O ATOM 630 CB PRO A 45 8.160 15.736 7.333 1.00 0.00 C ATOM 631 CG PRO A 45 9.038 16.688 6.598 1.00 0.00 C ATOM 632 CD PRO A 45 9.431 15.991 5.324 1.00 0.00 C ATOM 0 HA PRO A 45 7.189 13.936 6.497 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.468 16.262 7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.744 15.061 7.959 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.513 17.620 6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.917 16.944 7.190 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.554 16.696 4.502 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.376 15.459 5.432 1.00 0.00 H new ATOM 640 N HIS A 46 5.947 16.305 4.839 1.00 0.00 N ATOM 641 CA HIS A 46 4.702 16.968 4.465 1.00 0.00 C ATOM 642 C HIS A 46 4.133 16.370 3.181 1.00 0.00 C ATOM 643 O HIS A 46 2.929 16.430 2.938 1.00 0.00 O ATOM 644 CB HIS A 46 4.933 18.468 4.284 1.00 0.00 C ATOM 645 CG HIS A 46 5.618 19.114 5.449 1.00 0.00 C ATOM 646 ND1 HIS A 46 5.029 19.247 6.689 1.00 0.00 N ATOM 647 CD2 HIS A 46 6.851 19.662 5.559 1.00 0.00 C ATOM 648 CE1 HIS A 46 5.869 19.852 7.510 1.00 0.00 C ATOM 649 NE2 HIS A 46 6.982 20.114 6.849 1.00 0.00 N ATOM 0 H HIS A 46 6.705 16.420 4.166 1.00 0.00 H new ATOM 0 HA HIS A 46 3.981 16.814 5.268 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.530 18.629 3.387 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.973 18.958 4.120 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.593 19.731 4.778 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.678 20.092 8.546 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.805 20.577 7.234 1.00 0.00 H new ATOM 658 N GLY A 47 5.009 15.795 2.362 1.00 0.00 N ATOM 659 CA GLY A 47 4.574 15.197 1.114 1.00 0.00 C ATOM 660 C GLY A 47 3.398 15.929 0.498 1.00 0.00 C ATOM 661 O GLY A 47 2.528 15.312 -0.117 1.00 0.00 O ATOM 0 H GLY A 47 6.011 15.733 2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.405 15.192 0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.299 14.157 1.290 1.00 0.00 H new ATOM 665 N ASP A 48 3.371 17.246 0.665 1.00 0.00 N ATOM 666 CA ASP A 48 2.292 18.063 0.121 1.00 0.00 C ATOM 667 C ASP A 48 2.599 18.484 -1.313 1.00 0.00 C ATOM 668 O ASP A 48 1.715 18.933 -2.041 1.00 0.00 O ATOM 669 CB ASP A 48 2.071 19.300 0.993 1.00 0.00 C ATOM 670 CG ASP A 48 0.876 20.118 0.545 1.00 0.00 C ATOM 671 OD1 ASP A 48 -0.260 19.608 0.637 1.00 0.00 O ATOM 672 OD2 ASP A 48 1.077 21.269 0.104 1.00 0.00 O ATOM 0 H ASP A 48 4.083 17.771 1.172 1.00 0.00 H new ATOM 0 HA ASP A 48 1.382 17.463 0.117 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.928 18.990 2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.965 19.924 0.967 1.00 0.00 H new ATOM 677 N ASN A 49 3.859 18.337 -1.710 1.00 0.00 N ATOM 678 CA ASN A 49 4.283 18.704 -3.057 1.00 0.00 C ATOM 679 C ASN A 49 4.577 17.461 -3.892 1.00 0.00 C ATOM 680 O ASN A 49 5.234 17.539 -4.930 1.00 0.00 O ATOM 681 CB ASN A 49 5.523 19.598 -2.998 1.00 0.00 C ATOM 682 CG ASN A 49 6.583 19.054 -2.059 1.00 0.00 C ATOM 683 OD1 ASN A 49 6.398 19.279 -0.764 1.00 0.00 O flip ATOM 684 ND2 ASN A 49 7.557 18.439 -2.495 1.00 0.00 N flip ATOM 0 H ASN A 49 4.604 17.967 -1.119 1.00 0.00 H new ATOM 0 HA ASN A 49 3.470 19.254 -3.530 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.944 19.697 -3.998 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.232 20.597 -2.674 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.658 18.290 -3.499 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.262 18.079 -1.852 1.00 0.00 H new ATOM 691 N LEU A 50 4.085 16.316 -3.432 1.00 0.00 N ATOM 692 CA LEU A 50 4.294 15.056 -4.136 1.00 0.00 C ATOM 693 C LEU A 50 3.094 14.131 -3.964 1.00 0.00 C ATOM 694 O LEU A 50 2.604 13.930 -2.852 1.00 0.00 O ATOM 695 CB LEU A 50 5.561 14.367 -3.625 1.00 0.00 C ATOM 696 CG LEU A 50 5.821 14.471 -2.122 1.00 0.00 C ATOM 697 CD1 LEU A 50 5.120 13.343 -1.380 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.315 14.452 -1.837 1.00 0.00 C ATOM 0 H LEU A 50 3.539 16.234 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 50 4.411 15.276 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.510 13.312 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.417 14.788 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 50 5.416 15.419 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.316 13.433 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.046 13.402 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.495 12.384 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.481 14.527 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.744 13.521 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.792 15.295 -2.338 1.00 0.00 H new ATOM 710 N THR A 51 2.624 13.567 -5.073 1.00 0.00 N ATOM 711 CA THR A 51 1.482 12.662 -5.045 1.00 0.00 C ATOM 712 C THR A 51 1.893 11.272 -4.573 1.00 0.00 C ATOM 713 O THR A 51 3.081 10.962 -4.486 1.00 0.00 O ATOM 714 CB THR A 51 0.823 12.546 -6.433 1.00 0.00 C ATOM 715 OG1 THR A 51 0.999 13.766 -7.162 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.661 12.236 -6.303 1.00 0.00 C ATOM 0 H THR A 51 3.017 13.721 -6.001 1.00 0.00 H new ATOM 0 HA THR A 51 0.762 13.083 -4.343 1.00 0.00 H new ATOM 0 HB THR A 51 1.303 11.729 -6.972 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.579 13.684 -8.044 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.105 12.159 -7.296 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.791 11.292 -5.773 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.152 13.035 -5.747 1.00 0.00 H new ATOM 724 N TYR A 52 0.904 10.439 -4.270 1.00 0.00 N ATOM 725 CA TYR A 52 1.163 9.082 -3.805 1.00 0.00 C ATOM 726 C TYR A 52 0.469 8.058 -4.698 1.00 0.00 C ATOM 727 O TYR A 52 -0.731 8.154 -4.956 1.00 0.00 O ATOM 728 CB TYR A 52 0.693 8.917 -2.359 1.00 0.00 C ATOM 729 CG TYR A 52 1.493 9.728 -1.366 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.801 9.381 -1.050 1.00 0.00 C ATOM 731 CD2 TYR A 52 0.941 10.840 -0.742 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.536 10.119 -0.142 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.670 11.584 0.166 1.00 0.00 C ATOM 734 CZ TYR A 52 2.966 11.220 0.463 1.00 0.00 C ATOM 735 OH TYR A 52 3.694 11.958 1.368 1.00 0.00 O ATOM 0 H TYR A 52 -0.085 10.680 -4.338 1.00 0.00 H new ATOM 0 HA TYR A 52 2.238 8.908 -3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.355 9.207 -2.291 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.751 7.864 -2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.251 8.520 -1.522 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.075 11.128 -0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.551 9.835 0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.226 12.447 0.641 1.00 0.00 H new ATOM 0 HH TYR A 52 3.089 12.355 2.028 1.00 0.00 H new ATOM 745 N SER A 53 1.233 7.076 -5.166 1.00 0.00 N ATOM 746 CA SER A 53 0.693 6.034 -6.033 1.00 0.00 C ATOM 747 C SER A 53 0.487 4.736 -5.258 1.00 0.00 C ATOM 748 O SER A 53 1.218 4.440 -4.313 1.00 0.00 O ATOM 749 CB SER A 53 1.631 5.791 -7.217 1.00 0.00 C ATOM 750 OG SER A 53 1.615 6.888 -8.114 1.00 0.00 O ATOM 0 H SER A 53 2.227 6.980 -4.960 1.00 0.00 H new ATOM 0 HA SER A 53 -0.274 6.371 -6.407 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.646 5.629 -6.854 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.332 4.884 -7.742 1.00 0.00 H new ATOM 0 HG SER A 53 2.470 6.933 -8.591 1.00 0.00 H new ATOM 756 N VAL A 54 -0.516 3.965 -5.666 1.00 0.00 N ATOM 757 CA VAL A 54 -0.820 2.697 -5.012 1.00 0.00 C ATOM 758 C VAL A 54 -0.985 1.578 -6.033 1.00 0.00 C ATOM 759 O VAL A 54 -1.882 1.618 -6.876 1.00 0.00 O ATOM 760 CB VAL A 54 -2.102 2.797 -4.164 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.513 1.424 -3.653 1.00 0.00 C ATOM 762 CG2 VAL A 54 -1.903 3.766 -3.009 1.00 0.00 C ATOM 0 H VAL A 54 -1.132 4.196 -6.446 1.00 0.00 H new ATOM 0 HA VAL A 54 0.022 2.467 -4.359 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.904 3.179 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.420 1.515 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.699 0.762 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.714 1.011 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.819 3.824 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.087 3.416 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.660 4.754 -3.401 1.00 0.00 H new ATOM 772 N PHE A 55 -0.114 0.578 -5.953 1.00 0.00 N ATOM 773 CA PHE A 55 -0.162 -0.554 -6.871 1.00 0.00 C ATOM 774 C PHE A 55 -0.742 -1.787 -6.184 1.00 0.00 C ATOM 775 O PHE A 55 -0.243 -2.225 -5.147 1.00 0.00 O ATOM 776 CB PHE A 55 1.238 -0.865 -7.405 1.00 0.00 C ATOM 777 CG PHE A 55 1.957 0.341 -7.938 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.606 1.213 -7.079 1.00 0.00 C ATOM 779 CD2 PHE A 55 1.984 0.603 -9.299 1.00 0.00 C ATOM 780 CE1 PHE A 55 3.270 2.323 -7.566 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.646 1.711 -9.792 1.00 0.00 C ATOM 782 CZ PHE A 55 3.289 2.573 -8.924 1.00 0.00 C ATOM 0 H PHE A 55 0.634 0.528 -5.261 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.810 -0.286 -7.705 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.832 -1.309 -6.607 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.159 -1.610 -8.196 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.593 1.023 -6.016 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.482 -0.067 -9.982 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.773 2.994 -6.886 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.661 1.903 -10.855 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.805 3.441 -9.307 1.00 0.00 H new ATOM 792 N TYR A 56 -1.798 -2.341 -6.769 1.00 0.00 N ATOM 793 CA TYR A 56 -2.448 -3.521 -6.213 1.00 0.00 C ATOM 794 C TYR A 56 -2.453 -4.667 -7.221 1.00 0.00 C ATOM 795 O TYR A 56 -2.524 -4.446 -8.430 1.00 0.00 O ATOM 796 CB TYR A 56 -3.881 -3.190 -5.794 1.00 0.00 C ATOM 797 CG TYR A 56 -4.682 -2.494 -6.871 1.00 0.00 C ATOM 798 CD1 TYR A 56 -5.291 -3.218 -7.889 1.00 0.00 C ATOM 799 CD2 TYR A 56 -4.829 -1.112 -6.871 1.00 0.00 C ATOM 800 CE1 TYR A 56 -6.022 -2.586 -8.876 1.00 0.00 C ATOM 801 CE2 TYR A 56 -5.560 -0.472 -7.854 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.154 -1.213 -8.854 1.00 0.00 C ATOM 803 OH TYR A 56 -6.883 -0.580 -9.834 1.00 0.00 O ATOM 0 H TYR A 56 -2.222 -1.992 -7.628 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.883 -3.836 -5.335 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.390 -4.112 -5.513 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.854 -2.557 -4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.191 -4.293 -7.909 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.364 -0.529 -6.090 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.488 -3.164 -9.661 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.665 0.603 -7.839 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.879 0.387 -9.672 1.00 0.00 H new ATOM 813 N THR A 57 -2.378 -5.893 -6.713 1.00 0.00 N ATOM 814 CA THR A 57 -2.373 -7.074 -7.567 1.00 0.00 C ATOM 815 C THR A 57 -2.468 -8.351 -6.740 1.00 0.00 C ATOM 816 O THR A 57 -1.805 -8.488 -5.711 1.00 0.00 O ATOM 817 CB THR A 57 -1.103 -7.134 -8.437 1.00 0.00 C ATOM 818 OG1 THR A 57 -1.011 -8.408 -9.083 1.00 0.00 O ATOM 819 CG2 THR A 57 0.142 -6.896 -7.594 1.00 0.00 C ATOM 0 H THR A 57 -2.320 -6.094 -5.715 1.00 0.00 H new ATOM 0 HA THR A 57 -3.246 -6.998 -8.216 1.00 0.00 H new ATOM 0 HB THR A 57 -1.168 -6.349 -9.191 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.202 -8.437 -9.635 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.026 -6.943 -8.230 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.083 -5.913 -7.127 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.210 -7.661 -6.821 1.00 0.00 H new ATOM 827 N LYS A 58 -3.297 -9.285 -7.195 1.00 0.00 N ATOM 828 CA LYS A 58 -3.479 -10.553 -6.498 1.00 0.00 C ATOM 829 C LYS A 58 -2.149 -11.283 -6.342 1.00 0.00 C ATOM 830 O LYS A 58 -1.303 -11.248 -7.235 1.00 0.00 O ATOM 831 CB LYS A 58 -4.472 -11.437 -7.255 1.00 0.00 C ATOM 832 CG LYS A 58 -4.937 -12.646 -6.463 1.00 0.00 C ATOM 833 CD LYS A 58 -6.266 -13.172 -6.977 1.00 0.00 C ATOM 834 CE LYS A 58 -6.084 -14.027 -8.222 1.00 0.00 C ATOM 835 NZ LYS A 58 -7.342 -14.728 -8.602 1.00 0.00 N ATOM 0 H LYS A 58 -3.854 -9.187 -8.044 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.876 -10.340 -5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.340 -10.839 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.010 -11.776 -8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.185 -13.433 -6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.033 -12.378 -5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.751 -13.760 -6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.927 -12.335 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.754 -13.398 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.298 -14.761 -8.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.177 -15.300 -9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.643 -15.347 -7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.086 -14.027 -8.794 1.00 0.00 H new ATOM 924 N GLU A 64 -0.565 -5.580 -12.148 1.00 0.00 N ATOM 925 CA GLU A 64 -0.978 -4.679 -11.078 1.00 0.00 C ATOM 926 C GLU A 64 -1.353 -3.309 -11.635 1.00 0.00 C ATOM 927 O GLU A 64 -0.792 -2.859 -12.634 1.00 0.00 O ATOM 928 CB GLU A 64 0.140 -4.534 -10.044 1.00 0.00 C ATOM 929 CG GLU A 64 1.290 -3.657 -10.510 1.00 0.00 C ATOM 930 CD GLU A 64 2.443 -3.634 -9.525 1.00 0.00 C ATOM 931 OE1 GLU A 64 2.183 -3.530 -8.309 1.00 0.00 O ATOM 932 OE2 GLU A 64 3.605 -3.722 -9.973 1.00 0.00 O ATOM 0 HA GLU A 64 -1.856 -5.108 -10.595 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.276 -4.116 -9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.525 -5.523 -9.797 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.648 -4.017 -11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.928 -2.640 -10.663 1.00 0.00 H new ATOM 939 N ARG A 65 -2.305 -2.651 -10.982 1.00 0.00 N ATOM 940 CA ARG A 65 -2.756 -1.333 -11.412 1.00 0.00 C ATOM 941 C ARG A 65 -2.386 -0.269 -10.383 1.00 0.00 C ATOM 942 O ARG A 65 -2.406 -0.522 -9.178 1.00 0.00 O ATOM 943 CB ARG A 65 -4.270 -1.337 -11.636 1.00 0.00 C ATOM 944 CG ARG A 65 -4.683 -1.883 -12.993 1.00 0.00 C ATOM 945 CD ARG A 65 -4.743 -0.783 -14.041 1.00 0.00 C ATOM 946 NE ARG A 65 -4.749 -1.321 -15.399 1.00 0.00 N ATOM 947 CZ ARG A 65 -3.649 -1.678 -16.053 1.00 0.00 C ATOM 948 NH1 ARG A 65 -2.461 -1.555 -15.476 1.00 0.00 N ATOM 949 NH2 ARG A 65 -3.736 -2.160 -17.286 1.00 0.00 N ATOM 0 H ARG A 65 -2.779 -3.009 -10.153 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.257 -1.094 -12.351 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.743 -1.932 -10.855 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.647 -0.319 -11.533 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.975 -2.650 -13.309 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.658 -2.363 -12.912 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.639 -0.182 -13.885 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.888 -0.118 -13.918 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.647 -1.428 -15.871 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.390 -1.186 -14.528 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.618 -1.830 -15.980 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.648 -2.257 -17.733 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.891 -2.434 -17.787 1.00 0.00 H new ATOM 963 N VAL A 66 -2.048 0.922 -10.866 1.00 0.00 N ATOM 964 CA VAL A 66 -1.674 2.025 -9.989 1.00 0.00 C ATOM 965 C VAL A 66 -2.837 2.990 -9.793 1.00 0.00 C ATOM 966 O VAL A 66 -3.492 3.390 -10.755 1.00 0.00 O ATOM 967 CB VAL A 66 -0.466 2.800 -10.547 1.00 0.00 C ATOM 968 CG1 VAL A 66 -0.880 3.648 -11.740 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.161 3.663 -9.461 1.00 0.00 C ATOM 0 H VAL A 66 -2.025 1.148 -11.860 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.403 1.588 -9.028 1.00 0.00 H new ATOM 0 HB VAL A 66 0.280 2.081 -10.884 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.013 4.188 -12.121 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.279 3.004 -12.524 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.645 4.361 -11.432 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.013 4.204 -9.873 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.577 4.375 -9.091 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.496 3.029 -8.640 1.00 0.00 H new ATOM 979 N GLU A 67 -3.087 3.361 -8.541 1.00 0.00 N ATOM 980 CA GLU A 67 -4.173 4.280 -8.220 1.00 0.00 C ATOM 981 C GLU A 67 -3.634 5.552 -7.570 1.00 0.00 C ATOM 982 O GLU A 67 -3.247 5.549 -6.403 1.00 0.00 O ATOM 983 CB GLU A 67 -5.182 3.606 -7.288 1.00 0.00 C ATOM 984 CG GLU A 67 -6.602 4.120 -7.455 1.00 0.00 C ATOM 985 CD GLU A 67 -7.645 3.065 -7.142 1.00 0.00 C ATOM 986 OE1 GLU A 67 -7.474 1.911 -7.587 1.00 0.00 O ATOM 987 OE2 GLU A 67 -8.633 3.393 -6.451 1.00 0.00 O ATOM 0 H GLU A 67 -2.553 3.040 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.673 4.551 -9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.170 2.531 -7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.868 3.759 -6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.752 4.979 -6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.740 4.470 -8.478 1.00 0.00 H new ATOM 994 N ASN A 68 -3.613 6.637 -8.337 1.00 0.00 N ATOM 995 CA ASN A 68 -3.121 7.916 -7.837 1.00 0.00 C ATOM 996 C ASN A 68 -4.167 8.595 -6.957 1.00 0.00 C ATOM 997 O ASN A 68 -5.319 8.763 -7.359 1.00 0.00 O ATOM 998 CB ASN A 68 -2.747 8.833 -9.004 1.00 0.00 C ATOM 999 CG ASN A 68 -3.617 8.601 -10.224 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -3.303 7.559 -10.985 1.00 0.00 O flip ATOM 1001 ND2 ASN A 68 -4.561 9.349 -10.479 1.00 0.00 N flip ATOM 0 H ASN A 68 -3.931 6.656 -9.306 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.233 7.725 -7.234 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.838 9.873 -8.689 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.702 8.670 -9.270 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.766 10.138 -9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.138 9.179 -11.303 1.00 0.00 H new ATOM 1008 N THR A 69 -3.757 8.984 -5.754 1.00 0.00 N ATOM 1009 CA THR A 69 -4.657 9.643 -4.816 1.00 0.00 C ATOM 1010 C THR A 69 -5.374 10.816 -5.475 1.00 0.00 C ATOM 1011 O THR A 69 -4.748 11.653 -6.126 1.00 0.00 O ATOM 1012 CB THR A 69 -3.901 10.151 -3.574 1.00 0.00 C ATOM 1013 OG1 THR A 69 -2.931 11.132 -3.958 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.210 9.003 -2.854 1.00 0.00 C ATOM 0 H THR A 69 -2.807 8.854 -5.406 1.00 0.00 H new ATOM 0 HA THR A 69 -5.391 8.899 -4.506 1.00 0.00 H new ATOM 0 HB THR A 69 -4.625 10.602 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.317 12.028 -3.865 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.683 9.386 -1.980 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.954 8.272 -2.537 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.498 8.527 -3.528 1.00 0.00 H new ATOM 1022 N SER A 70 -6.691 10.871 -5.302 1.00 0.00 N ATOM 1023 CA SER A 70 -7.494 11.940 -5.883 1.00 0.00 C ATOM 1024 C SER A 70 -6.820 13.295 -5.685 1.00 0.00 C ATOM 1025 O SER A 70 -6.968 14.201 -6.506 1.00 0.00 O ATOM 1026 CB SER A 70 -8.890 11.956 -5.257 1.00 0.00 C ATOM 1027 OG SER A 70 -9.661 10.853 -5.702 1.00 0.00 O ATOM 0 H SER A 70 -7.224 10.188 -4.764 1.00 0.00 H new ATOM 0 HA SER A 70 -7.585 11.752 -6.953 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.805 11.930 -4.171 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.397 12.886 -5.515 1.00 0.00 H new ATOM 0 HG SER A 70 -10.548 10.885 -5.286 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.080 13.426 -4.589 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.382 14.669 -4.281 1.00 0.00 C ATOM 1035 C HIS A 71 -3.964 14.389 -3.791 1.00 0.00 C ATOM 1036 O HIS A 71 -3.695 13.382 -3.137 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.152 15.463 -3.226 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.565 15.767 -3.618 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -7.912 16.845 -4.406 1.00 0.00 N ATOM 1040 CD2 HIS A 71 -8.722 15.126 -3.329 1.00 0.00 C ATOM 1041 CE1 HIS A 71 -9.222 16.855 -4.582 1.00 0.00 C ATOM 1042 NE2 HIS A 71 -9.736 15.822 -3.939 1.00 0.00 N ATOM 0 H HIS A 71 -5.948 12.686 -3.899 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.321 15.259 -5.195 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.156 14.902 -2.292 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.628 16.399 -3.033 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.828 14.233 -2.730 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.777 17.584 -5.154 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.726 15.580 -3.902 1.00 0.00 H new ATOM 1051 N PRO A 72 -3.035 15.301 -4.113 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.630 15.174 -3.716 1.00 0.00 C ATOM 1053 C PRO A 72 -1.433 15.361 -2.215 1.00 0.00 C ATOM 1054 O PRO A 72 -1.951 16.308 -1.624 1.00 0.00 O ATOM 1055 CB PRO A 72 -0.939 16.300 -4.490 1.00 0.00 C ATOM 1056 CG PRO A 72 -2.010 17.308 -4.729 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.285 16.527 -4.891 1.00 0.00 C ATOM 0 HA PRO A 72 -1.233 14.183 -3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.115 16.726 -3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.521 15.937 -5.429 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.083 18.005 -3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.798 17.899 -5.620 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.145 17.077 -4.509 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.489 16.304 -5.938 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.680 14.452 -1.604 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.428 14.535 -0.177 1.00 0.00 C ATOM 1067 C GLY A 73 -1.329 13.618 0.625 1.00 0.00 C ATOM 1068 O GLY A 73 -0.955 13.158 1.703 1.00 0.00 O ATOM 0 H GLY A 73 -0.240 13.659 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.613 14.280 0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.573 15.563 0.155 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.521 13.354 0.100 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.479 12.487 0.777 1.00 0.00 C ATOM 1074 C GLU A 74 -2.770 11.324 1.463 1.00 0.00 C ATOM 1075 O GLU A 74 -2.117 10.509 0.811 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.511 11.954 -0.219 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.871 11.683 0.400 1.00 0.00 C ATOM 1078 CD GLU A 74 -6.919 11.314 -0.632 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -6.800 10.227 -1.235 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -7.858 12.111 -0.837 1.00 0.00 O ATOM 0 H GLU A 74 -2.847 13.728 -0.791 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.990 13.077 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.627 12.674 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.133 11.033 -0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.781 10.875 1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.200 12.567 0.946 1.00 0.00 H new ATOM 1087 N MET A 75 -2.902 11.254 2.784 1.00 0.00 N ATOM 1088 CA MET A 75 -2.274 10.190 3.559 1.00 0.00 C ATOM 1089 C MET A 75 -3.140 8.935 3.560 1.00 0.00 C ATOM 1090 O MET A 75 -3.023 8.091 4.448 1.00 0.00 O ATOM 1091 CB MET A 75 -2.027 10.655 4.996 1.00 0.00 C ATOM 1092 CG MET A 75 -1.002 11.772 5.105 1.00 0.00 C ATOM 1093 SD MET A 75 0.680 11.154 5.310 1.00 0.00 S ATOM 1094 CE MET A 75 1.133 10.834 3.608 1.00 0.00 C ATOM 0 H MET A 75 -3.438 11.921 3.340 1.00 0.00 H new ATOM 0 HA MET A 75 -1.318 9.950 3.093 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.969 10.994 5.427 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.692 9.806 5.592 1.00 0.00 H new ATOM 0 HG2 MET A 75 -1.050 12.393 4.210 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.256 12.411 5.951 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.215 10.722 3.534 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.650 9.918 3.269 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.811 11.667 2.983 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.009 8.819 2.561 1.00 0.00 N ATOM 1105 CA GLN A 76 -4.895 7.667 2.449 1.00 0.00 C ATOM 1106 C GLN A 76 -5.616 7.663 1.105 1.00 0.00 C ATOM 1107 O GLN A 76 -5.872 8.717 0.523 1.00 0.00 O ATOM 1108 CB GLN A 76 -5.916 7.669 3.588 1.00 0.00 C ATOM 1109 CG GLN A 76 -6.939 8.789 3.486 1.00 0.00 C ATOM 1110 CD GLN A 76 -7.837 8.649 2.273 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -8.125 7.540 1.823 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -8.286 9.778 1.735 1.00 0.00 N ATOM 0 H GLN A 76 -4.118 9.509 1.818 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.287 6.765 2.517 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.437 6.712 3.599 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.388 7.756 4.538 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.551 8.800 4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.421 9.747 3.441 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.022 10.676 2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.894 9.746 0.917 1.00 0.00 H new ATOM 1121 N VAL A 77 -5.941 6.470 0.616 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.633 6.329 -0.659 1.00 0.00 C ATOM 1123 C VAL A 77 -7.518 5.088 -0.670 1.00 0.00 C ATOM 1124 O VAL A 77 -7.364 4.194 0.163 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.637 6.246 -1.831 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -5.016 4.860 -1.908 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.325 6.604 -3.140 1.00 0.00 C ATOM 0 H VAL A 77 -5.736 5.587 1.084 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.255 7.216 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.838 6.966 -1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.315 4.821 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.487 4.646 -0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.800 4.118 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.607 6.540 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.145 5.909 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.717 7.619 -3.079 1.00 0.00 H new ATOM 1137 N THR A 78 -8.447 5.038 -1.619 1.00 0.00 N ATOM 1138 CA THR A 78 -9.358 3.907 -1.739 1.00 0.00 C ATOM 1139 C THR A 78 -9.121 3.144 -3.037 1.00 0.00 C ATOM 1140 O THR A 78 -8.965 3.745 -4.101 1.00 0.00 O ATOM 1141 CB THR A 78 -10.829 4.362 -1.685 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.075 5.079 -0.471 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.768 3.168 -1.775 1.00 0.00 C ATOM 0 H THR A 78 -8.588 5.769 -2.317 1.00 0.00 H new ATOM 0 HA THR A 78 -9.157 3.249 -0.893 1.00 0.00 H new ATOM 0 HB THR A 78 -11.016 5.016 -2.537 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.012 5.366 -0.445 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.801 3.514 -1.735 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.598 2.641 -2.714 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.579 2.493 -0.941 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.096 1.819 -2.944 1.00 0.00 N ATOM 1152 CA ILE A 79 -8.879 0.975 -4.112 1.00 0.00 C ATOM 1153 C ILE A 79 -10.120 0.148 -4.431 1.00 0.00 C ATOM 1154 O ILE A 79 -10.337 -0.912 -3.845 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.682 0.028 -3.909 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.519 0.774 -3.252 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.250 -0.573 -5.238 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -5.894 1.824 -4.143 1.00 0.00 C ATOM 0 H ILE A 79 -9.223 1.307 -2.071 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.665 1.642 -4.947 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.988 -0.783 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.873 1.249 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.754 0.054 -2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.403 -1.240 -5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.078 -1.135 -5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.959 0.225 -5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.077 2.312 -3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.509 1.352 -5.047 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.645 2.566 -4.413 1.00 0.00 H new ATOM 1170 N GLN A 80 -10.929 0.640 -5.363 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.148 -0.055 -5.760 1.00 0.00 C ATOM 1172 C GLN A 80 -11.871 -1.037 -6.893 1.00 0.00 C ATOM 1173 O GLN A 80 -10.734 -1.173 -7.345 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.217 0.951 -6.191 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.558 1.973 -5.119 1.00 0.00 C ATOM 1176 CD GLN A 80 -14.601 2.973 -5.577 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -15.274 2.767 -6.587 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -14.742 4.065 -4.834 1.00 0.00 N ATOM 0 H GLN A 80 -10.763 1.517 -5.857 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.513 -0.616 -4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.873 1.474 -7.083 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.122 0.411 -6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -13.922 1.455 -4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.652 2.506 -4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -14.163 4.196 -4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.429 4.773 -5.093 1.00 0.00 H new ATOM 1187 N ASN A 81 -12.916 -1.719 -7.348 1.00 0.00 N ATOM 1188 CA ASN A 81 -12.785 -2.690 -8.428 1.00 0.00 C ATOM 1189 C ASN A 81 -11.941 -3.883 -7.988 1.00 0.00 C ATOM 1190 O ASN A 81 -11.023 -4.303 -8.694 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.156 -2.033 -9.658 1.00 0.00 C ATOM 1192 CG ASN A 81 -12.604 -0.595 -9.839 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -11.855 0.340 -9.556 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -13.832 -0.414 -10.311 1.00 0.00 N ATOM 0 H ASN A 81 -13.864 -1.617 -6.985 1.00 0.00 H new ATOM 0 HA ASN A 81 -13.782 -3.048 -8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.070 -2.064 -9.567 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.418 -2.607 -10.547 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -14.190 0.531 -10.453 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -14.417 -1.220 -10.532 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.259 -4.425 -6.817 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.531 -5.571 -6.282 1.00 0.00 C ATOM 1203 C LEU A 82 -12.467 -6.754 -6.059 1.00 0.00 C ATOM 1204 O LEU A 82 -13.688 -6.601 -6.060 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.844 -5.194 -4.968 1.00 0.00 C ATOM 1206 CG LEU A 82 -9.846 -4.038 -5.040 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.235 -3.774 -3.673 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -8.759 -4.333 -6.064 1.00 0.00 C ATOM 0 H LEU A 82 -13.015 -4.090 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.774 -5.863 -7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.613 -4.939 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.324 -6.073 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.381 -3.142 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.527 -2.948 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.023 -3.517 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.716 -4.668 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.058 -3.499 -6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.228 -5.241 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.212 -4.470 -7.046 1.00 0.00 H new ATOM 1220 N MET A 83 -11.886 -7.933 -5.865 1.00 0.00 N ATOM 1221 CA MET A 83 -12.668 -9.142 -5.636 1.00 0.00 C ATOM 1222 C MET A 83 -12.658 -9.526 -4.160 1.00 0.00 C ATOM 1223 O MET A 83 -11.631 -9.460 -3.484 1.00 0.00 O ATOM 1224 CB MET A 83 -12.122 -10.296 -6.479 1.00 0.00 C ATOM 1225 CG MET A 83 -12.713 -11.648 -6.115 1.00 0.00 C ATOM 1226 SD MET A 83 -11.813 -13.023 -6.856 1.00 0.00 S ATOM 1227 CE MET A 83 -12.353 -12.902 -8.560 1.00 0.00 C ATOM 0 H MET A 83 -10.876 -8.077 -5.862 1.00 0.00 H new ATOM 0 HA MET A 83 -13.697 -8.940 -5.933 1.00 0.00 H new ATOM 0 HB2 MET A 83 -12.322 -10.093 -7.531 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.039 -10.339 -6.363 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.712 -11.760 -5.031 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.753 -11.684 -6.438 1.00 0.00 H new ATOM 0 HE1 MET A 83 -11.881 -13.689 -9.148 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.436 -13.014 -8.607 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.071 -11.929 -8.963 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.827 -9.936 -3.645 1.00 0.00 N ATOM 1238 CA PRO A 84 -13.977 -10.338 -2.244 1.00 0.00 C ATOM 1239 C PRO A 84 -13.269 -11.654 -1.939 1.00 0.00 C ATOM 1240 O PRO A 84 -13.017 -12.456 -2.838 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.491 -10.495 -2.080 1.00 0.00 C ATOM 1242 CG PRO A 84 -15.991 -10.791 -3.452 1.00 0.00 C ATOM 1243 CD PRO A 84 -15.091 -10.039 -4.393 1.00 0.00 C ATOM 0 HA PRO A 84 -13.533 -9.612 -1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.733 -11.301 -1.388 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.943 -9.587 -1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.961 -11.861 -3.656 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.027 -10.474 -3.566 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.959 -10.572 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.495 -9.056 -4.637 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.953 -11.870 -0.667 1.00 0.00 N ATOM 1252 CA ALA A 85 -12.277 -13.090 -0.244 1.00 0.00 C ATOM 1253 C ALA A 85 -11.074 -13.388 -1.133 1.00 0.00 C ATOM 1254 O ALA A 85 -10.817 -14.540 -1.482 1.00 0.00 O ATOM 1255 CB ALA A 85 -13.247 -14.262 -0.254 1.00 0.00 C ATOM 0 H ALA A 85 -13.154 -11.216 0.089 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.915 -12.941 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.728 -15.166 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.072 -14.058 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.637 -14.403 -1.262 1.00 0.00 H new ATOM 1261 N THR A 86 -10.341 -12.341 -1.499 1.00 0.00 N ATOM 1262 CA THR A 86 -9.167 -12.490 -2.350 1.00 0.00 C ATOM 1263 C THR A 86 -8.031 -11.587 -1.883 1.00 0.00 C ATOM 1264 O THR A 86 -8.190 -10.370 -1.790 1.00 0.00 O ATOM 1265 CB THR A 86 -9.493 -12.167 -3.820 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.596 -12.965 -4.264 1.00 0.00 O ATOM 1267 CG2 THR A 86 -8.287 -12.420 -4.711 1.00 0.00 C ATOM 0 H THR A 86 -10.540 -11.380 -1.219 1.00 0.00 H new ATOM 0 HA THR A 86 -8.854 -13.531 -2.276 1.00 0.00 H new ATOM 0 HB THR A 86 -9.758 -11.112 -3.886 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.511 -13.135 -5.225 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.542 -12.185 -5.744 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.458 -11.789 -4.389 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.995 -13.468 -4.639 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.883 -12.190 -1.590 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.720 -11.440 -1.134 1.00 0.00 C ATOM 1277 C VAL A 87 -5.196 -10.518 -2.230 1.00 0.00 C ATOM 1278 O VAL A 87 -5.302 -10.826 -3.418 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.586 -12.380 -0.685 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -3.323 -11.588 -0.382 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -5.017 -13.194 0.526 1.00 0.00 C ATOM 0 H VAL A 87 -6.734 -13.197 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 87 -6.044 -10.841 -0.283 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.367 -13.070 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.533 -12.270 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.005 -11.054 -1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.525 -10.872 0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.204 -13.853 0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.265 -12.521 1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.892 -13.792 0.270 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.632 -9.386 -1.824 1.00 0.00 N ATOM 1292 CA TYR A 88 -4.093 -8.418 -2.772 1.00 0.00 C ATOM 1293 C TYR A 88 -2.887 -7.693 -2.183 1.00 0.00 C ATOM 1294 O TYR A 88 -2.930 -7.210 -1.052 1.00 0.00 O ATOM 1295 CB TYR A 88 -5.170 -7.404 -3.165 1.00 0.00 C ATOM 1296 CG TYR A 88 -6.156 -7.932 -4.182 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.783 -8.125 -5.506 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.461 -8.239 -3.818 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.681 -8.606 -6.439 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.366 -8.722 -4.743 1.00 0.00 C ATOM 1301 CZ TYR A 88 -7.971 -8.904 -6.052 1.00 0.00 C ATOM 1302 OH TYR A 88 -8.869 -9.384 -6.978 1.00 0.00 O ATOM 0 H TYR A 88 -4.536 -9.116 -0.845 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.770 -8.959 -3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.712 -7.098 -2.271 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.689 -6.513 -3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.773 -7.895 -5.811 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.773 -8.098 -2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.375 -8.748 -7.465 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.377 -8.956 -4.443 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.390 -9.890 -7.667 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.811 -7.621 -2.961 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.593 -6.954 -2.519 1.00 0.00 C ATOM 1314 C ILE A 89 -0.593 -5.484 -2.924 1.00 0.00 C ATOM 1315 O ILE A 89 -0.469 -5.154 -4.104 1.00 0.00 O ATOM 1316 CB ILE A 89 0.662 -7.634 -3.096 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.524 -9.156 -3.023 1.00 0.00 C ATOM 1318 CG2 ILE A 89 1.905 -7.173 -2.349 1.00 0.00 C ATOM 1319 CD1 ILE A 89 0.380 -9.682 -1.612 1.00 0.00 C ATOM 0 H ILE A 89 -1.759 -8.016 -3.900 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.569 -7.029 -1.432 1.00 0.00 H new ATOM 0 HB ILE A 89 0.763 -7.347 -4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.344 -9.463 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.398 -9.615 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.784 -7.662 -2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.009 -6.093 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.813 -7.433 -1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.287 -10.768 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.259 -9.406 -1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.510 -9.252 -1.152 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.732 -4.604 -1.938 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.747 -3.168 -2.191 1.00 0.00 C ATOM 1333 C PHE A 90 0.635 -2.561 -1.965 1.00 0.00 C ATOM 1334 O PHE A 90 1.344 -2.936 -1.031 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.773 -2.480 -1.288 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.189 -2.897 -1.562 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.708 -4.051 -0.996 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -4.002 -2.136 -2.387 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -5.011 -4.437 -1.247 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.306 -2.518 -2.641 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.810 -3.670 -2.071 1.00 0.00 C ATOM 0 H PHE A 90 -0.836 -4.860 -0.956 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.027 -3.011 -3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.533 -2.699 -0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.690 -1.401 -1.414 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.087 -4.655 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.612 -1.235 -2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.404 -5.338 -0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.930 -1.916 -3.285 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.828 -3.971 -2.270 1.00 0.00 H new ATOM 1351 N ARG A 91 1.010 -1.622 -2.828 1.00 0.00 N ATOM 1352 CA ARG A 91 2.307 -0.964 -2.724 1.00 0.00 C ATOM 1353 C ARG A 91 2.160 0.549 -2.849 1.00 0.00 C ATOM 1354 O ARG A 91 1.646 1.054 -3.847 1.00 0.00 O ATOM 1355 CB ARG A 91 3.255 -1.486 -3.806 1.00 0.00 C ATOM 1356 CG ARG A 91 3.697 -2.924 -3.586 1.00 0.00 C ATOM 1357 CD ARG A 91 4.811 -3.316 -4.544 1.00 0.00 C ATOM 1358 NE ARG A 91 6.133 -3.031 -3.992 1.00 0.00 N ATOM 1359 CZ ARG A 91 7.260 -3.521 -4.495 1.00 0.00 C ATOM 1360 NH1 ARG A 91 7.227 -4.314 -5.557 1.00 0.00 N ATOM 1361 NH2 ARG A 91 8.425 -3.215 -3.937 1.00 0.00 N ATOM 0 H ARG A 91 0.435 -1.300 -3.606 1.00 0.00 H new ATOM 0 HA ARG A 91 2.725 -1.192 -1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.763 -1.410 -4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.136 -0.846 -3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.039 -3.048 -2.558 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.847 -3.592 -3.722 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.735 -4.379 -4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.687 -2.778 -5.484 1.00 0.00 H new ATOM 0 HE ARG A 91 6.194 -2.422 -3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.334 -4.549 -5.990 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.095 -4.689 -5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.455 -2.603 -3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.290 -3.592 -4.324 1.00 0.00 H new ATOM 1375 N VAL A 92 2.615 1.269 -1.828 1.00 0.00 N ATOM 1376 CA VAL A 92 2.536 2.725 -1.823 1.00 0.00 C ATOM 1377 C VAL A 92 3.852 3.349 -2.271 1.00 0.00 C ATOM 1378 O VAL A 92 4.921 2.770 -2.082 1.00 0.00 O ATOM 1379 CB VAL A 92 2.176 3.262 -0.425 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.526 4.633 -0.531 1.00 0.00 C ATOM 1381 CG2 VAL A 92 1.264 2.286 0.303 1.00 0.00 C ATOM 0 H VAL A 92 3.042 0.867 -0.993 1.00 0.00 H new ATOM 0 HA VAL A 92 1.749 3.001 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 92 3.095 3.365 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.279 4.996 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.217 5.327 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.616 4.559 -1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.020 2.682 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.347 2.149 -0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.771 1.327 0.412 1.00 0.00 H new ATOM 1391 N MET A 93 3.766 4.534 -2.867 1.00 0.00 N ATOM 1392 CA MET A 93 4.952 5.238 -3.342 1.00 0.00 C ATOM 1393 C MET A 93 4.673 6.730 -3.495 1.00 0.00 C ATOM 1394 O MET A 93 3.539 7.136 -3.746 1.00 0.00 O ATOM 1395 CB MET A 93 5.417 4.655 -4.677 1.00 0.00 C ATOM 1396 CG MET A 93 6.749 5.212 -5.153 1.00 0.00 C ATOM 1397 SD MET A 93 7.606 4.096 -6.280 1.00 0.00 S ATOM 1398 CE MET A 93 6.276 3.653 -7.395 1.00 0.00 C ATOM 0 H MET A 93 2.888 5.027 -3.032 1.00 0.00 H new ATOM 0 HA MET A 93 5.742 5.108 -2.602 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.498 3.572 -4.582 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.658 4.853 -5.434 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.582 6.167 -5.651 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.385 5.410 -4.290 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.678 3.494 -8.396 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.798 2.737 -7.046 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.541 4.458 -7.423 1.00 0.00 H new ATOM 1408 N ALA A 94 5.715 7.541 -3.342 1.00 0.00 N ATOM 1409 CA ALA A 94 5.582 8.987 -3.465 1.00 0.00 C ATOM 1410 C ALA A 94 6.067 9.469 -4.828 1.00 0.00 C ATOM 1411 O ALA A 94 6.877 8.808 -5.477 1.00 0.00 O ATOM 1412 CB ALA A 94 6.350 9.684 -2.352 1.00 0.00 C ATOM 0 H ALA A 94 6.661 7.221 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 94 4.525 9.239 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.242 10.764 -2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.954 9.371 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.405 9.417 -2.416 1.00 0.00 H new ATOM 1418 N GLN A 95 5.565 10.623 -5.255 1.00 0.00 N ATOM 1419 CA GLN A 95 5.947 11.192 -6.542 1.00 0.00 C ATOM 1420 C GLN A 95 6.035 12.712 -6.461 1.00 0.00 C ATOM 1421 O GLN A 95 5.078 13.378 -6.067 1.00 0.00 O ATOM 1422 CB GLN A 95 4.944 10.784 -7.622 1.00 0.00 C ATOM 1423 CG GLN A 95 5.321 9.504 -8.350 1.00 0.00 C ATOM 1424 CD GLN A 95 4.110 8.718 -8.815 1.00 0.00 C ATOM 1425 OE1 GLN A 95 4.203 7.395 -8.751 1.00 0.00 O flip ATOM 1426 NE2 GLN A 95 3.102 9.294 -9.226 1.00 0.00 N flip ATOM 0 H GLN A 95 4.893 11.182 -4.729 1.00 0.00 H new ATOM 0 HA GLN A 95 6.931 10.803 -6.805 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.963 10.657 -7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.855 11.592 -8.348 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.942 9.750 -9.211 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.923 8.879 -7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.074 10.313 -9.258 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.295 8.752 -9.534 1.00 0.00 H new ATOM 1435 N ASN A 96 7.189 13.255 -6.837 1.00 0.00 N ATOM 1436 CA ASN A 96 7.401 14.697 -6.806 1.00 0.00 C ATOM 1437 C ASN A 96 7.743 15.227 -8.195 1.00 0.00 C ATOM 1438 O ASN A 96 7.710 14.488 -9.179 1.00 0.00 O ATOM 1439 CB ASN A 96 8.521 15.048 -5.824 1.00 0.00 C ATOM 1440 CG ASN A 96 9.890 14.649 -6.342 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.699 15.500 -6.711 1.00 0.00 O ATOM 1442 ND2 ASN A 96 10.154 13.348 -6.373 1.00 0.00 N ATOM 0 H ASN A 96 7.991 12.718 -7.167 1.00 0.00 H new ATOM 0 HA ASN A 96 6.475 15.168 -6.475 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.507 16.120 -5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.336 14.549 -4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 96 11.058 13.019 -6.713 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.453 12.678 -6.057 1.00 0.00 H new ATOM 1449 N LYS A 97 8.072 16.512 -8.268 1.00 0.00 N ATOM 1450 CA LYS A 97 8.423 17.142 -9.535 1.00 0.00 C ATOM 1451 C LYS A 97 9.364 16.254 -10.342 1.00 0.00 C ATOM 1452 O LYS A 97 9.464 16.385 -11.563 1.00 0.00 O ATOM 1453 CB LYS A 97 9.075 18.504 -9.288 1.00 0.00 C ATOM 1454 CG LYS A 97 10.455 18.412 -8.659 1.00 0.00 C ATOM 1455 CD LYS A 97 10.786 19.660 -7.857 1.00 0.00 C ATOM 1456 CE LYS A 97 11.466 20.712 -8.720 1.00 0.00 C ATOM 1457 NZ LYS A 97 11.306 22.080 -8.153 1.00 0.00 N ATOM 0 H LYS A 97 8.103 17.138 -7.463 1.00 0.00 H new ATOM 0 HA LYS A 97 7.506 17.284 -10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.151 19.038 -10.235 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.428 19.095 -8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.502 17.538 -8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.203 18.271 -9.439 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.872 20.073 -7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.436 19.396 -7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.527 20.478 -8.810 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.046 20.684 -9.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.783 22.769 -8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.295 22.314 -8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.729 22.114 -7.203 1.00 0.00 H new ATOM 1471 N HIS A 98 10.053 15.349 -9.653 1.00 0.00 N ATOM 1472 CA HIS A 98 10.985 14.438 -10.307 1.00 0.00 C ATOM 1473 C HIS A 98 10.244 13.264 -10.941 1.00 0.00 C ATOM 1474 O HIS A 98 10.192 13.137 -12.163 1.00 0.00 O ATOM 1475 CB HIS A 98 12.017 13.923 -9.303 1.00 0.00 C ATOM 1476 CG HIS A 98 12.796 15.012 -8.632 1.00 0.00 C ATOM 1477 ND1 HIS A 98 13.296 15.099 -7.378 1.00 0.00 N flip ATOM 1478 CD2 HIS A 98 13.141 16.188 -9.263 1.00 0.00 C flip ATOM 1479 CE1 HIS A 98 13.928 16.313 -7.275 1.00 0.00 C flip ATOM 1480 NE2 HIS A 98 13.821 16.951 -8.426 1.00 0.00 N flip ATOM 0 H HIS A 98 9.983 15.227 -8.643 1.00 0.00 H new ATOM 0 HA HIS A 98 11.499 14.988 -11.095 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.508 13.331 -8.543 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.709 13.256 -9.816 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.894 16.445 -10.282 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.431 16.686 -6.395 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.199 17.875 -8.634 1.00 0.00 H new ATOM 1489 N GLY A 99 9.672 12.408 -10.099 1.00 0.00 N ATOM 1490 CA GLY A 99 8.942 11.256 -10.595 1.00 0.00 C ATOM 1491 C GLY A 99 8.682 10.225 -9.515 1.00 0.00 C ATOM 1492 O GLY A 99 8.457 10.574 -8.356 1.00 0.00 O ATOM 0 H GLY A 99 9.701 12.492 -9.083 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.992 11.585 -11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.506 10.794 -11.406 1.00 0.00 H new ATOM 1496 N SER A 100 8.712 8.952 -9.894 1.00 0.00 N ATOM 1497 CA SER A 100 8.473 7.867 -8.950 1.00 0.00 C ATOM 1498 C SER A 100 9.758 7.487 -8.221 1.00 0.00 C ATOM 1499 O SER A 100 10.727 7.044 -8.837 1.00 0.00 O ATOM 1500 CB SER A 100 7.905 6.646 -9.677 1.00 0.00 C ATOM 1501 OG SER A 100 8.762 6.235 -10.729 1.00 0.00 O ATOM 0 H SER A 100 8.900 8.646 -10.849 1.00 0.00 H new ATOM 0 HA SER A 100 7.748 8.213 -8.214 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.773 5.827 -8.970 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.920 6.883 -10.078 1.00 0.00 H new ATOM 0 HG SER A 100 9.692 6.424 -10.486 1.00 0.00 H new ATOM 1507 N GLY A 101 9.758 7.665 -6.904 1.00 0.00 N ATOM 1508 CA GLY A 101 10.929 7.337 -6.111 1.00 0.00 C ATOM 1509 C GLY A 101 10.985 5.868 -5.740 1.00 0.00 C ATOM 1510 O GLY A 101 10.984 5.001 -6.613 1.00 0.00 O ATOM 0 H GLY A 101 8.968 8.030 -6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.827 7.602 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.929 7.938 -5.202 1.00 0.00 H new ATOM 1514 N GLU A 102 11.035 5.589 -4.441 1.00 0.00 N ATOM 1515 CA GLU A 102 11.094 4.214 -3.958 1.00 0.00 C ATOM 1516 C GLU A 102 9.701 3.702 -3.604 1.00 0.00 C ATOM 1517 O GLU A 102 8.901 4.415 -3.000 1.00 0.00 O ATOM 1518 CB GLU A 102 12.010 4.119 -2.736 1.00 0.00 C ATOM 1519 CG GLU A 102 12.179 2.704 -2.210 1.00 0.00 C ATOM 1520 CD GLU A 102 12.523 2.667 -0.734 1.00 0.00 C ATOM 1521 OE1 GLU A 102 11.667 3.059 0.086 1.00 0.00 O ATOM 1522 OE2 GLU A 102 13.650 2.245 -0.399 1.00 0.00 O ATOM 0 H GLU A 102 11.036 6.296 -3.705 1.00 0.00 H new ATOM 0 HA GLU A 102 11.499 3.592 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.990 4.521 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.608 4.747 -1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.258 2.145 -2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.964 2.202 -2.775 1.00 0.00 H new ATOM 1529 N SER A 103 9.420 2.460 -3.987 1.00 0.00 N ATOM 1530 CA SER A 103 8.122 1.852 -3.715 1.00 0.00 C ATOM 1531 C SER A 103 8.118 1.169 -2.351 1.00 0.00 C ATOM 1532 O SER A 103 8.895 0.246 -2.104 1.00 0.00 O ATOM 1533 CB SER A 103 7.771 0.840 -4.806 1.00 0.00 C ATOM 1534 OG SER A 103 8.161 1.312 -6.084 1.00 0.00 O ATOM 0 H SER A 103 10.073 1.856 -4.486 1.00 0.00 H new ATOM 0 HA SER A 103 7.372 2.643 -3.708 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.266 -0.109 -4.599 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.698 0.649 -4.797 1.00 0.00 H new ATOM 0 HG SER A 103 8.196 2.291 -6.074 1.00 0.00 H new ATOM 1540 N SER A 104 7.238 1.628 -1.468 1.00 0.00 N ATOM 1541 CA SER A 104 7.134 1.065 -0.127 1.00 0.00 C ATOM 1542 C SER A 104 7.046 -0.457 -0.183 1.00 0.00 C ATOM 1543 O SER A 104 6.979 -1.047 -1.261 1.00 0.00 O ATOM 1544 CB SER A 104 5.909 1.631 0.594 1.00 0.00 C ATOM 1545 OG SER A 104 5.449 0.740 1.595 1.00 0.00 O ATOM 0 H SER A 104 6.586 2.389 -1.657 1.00 0.00 H new ATOM 0 HA SER A 104 8.032 1.341 0.426 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.160 2.591 1.045 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.112 1.816 -0.127 1.00 0.00 H new ATOM 0 HG SER A 104 4.608 0.329 1.306 1.00 0.00 H new ATOM 1551 N ALA A 105 7.047 -1.087 0.987 1.00 0.00 N ATOM 1552 CA ALA A 105 6.966 -2.540 1.073 1.00 0.00 C ATOM 1553 C ALA A 105 5.577 -3.036 0.685 1.00 0.00 C ATOM 1554 O ALA A 105 4.568 -2.368 0.909 1.00 0.00 O ATOM 1555 CB ALA A 105 7.322 -3.007 2.477 1.00 0.00 C ATOM 0 H ALA A 105 7.103 -0.614 1.889 1.00 0.00 H new ATOM 0 HA ALA A 105 7.684 -2.961 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.257 -4.094 2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.337 -2.693 2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.627 -2.569 3.193 1.00 0.00 H new ATOM 1561 N PRO A 106 5.522 -4.236 0.088 1.00 0.00 N ATOM 1562 CA PRO A 106 4.262 -4.848 -0.344 1.00 0.00 C ATOM 1563 C PRO A 106 3.396 -5.284 0.833 1.00 0.00 C ATOM 1564 O PRO A 106 3.807 -6.113 1.646 1.00 0.00 O ATOM 1565 CB PRO A 106 4.717 -6.065 -1.153 1.00 0.00 C ATOM 1566 CG PRO A 106 6.064 -6.398 -0.610 1.00 0.00 C ATOM 1567 CD PRO A 106 6.685 -5.088 -0.210 1.00 0.00 C ATOM 0 HA PRO A 106 3.643 -4.151 -0.909 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.025 -6.899 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.764 -5.837 -2.218 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.985 -7.070 0.245 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.672 -6.906 -1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.334 -5.200 0.658 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.294 -4.671 -1.012 1.00 0.00 H new ATOM 1575 N LEU A 107 2.195 -4.722 0.919 1.00 0.00 N ATOM 1576 CA LEU A 107 1.270 -5.054 1.997 1.00 0.00 C ATOM 1577 C LEU A 107 0.305 -6.154 1.567 1.00 0.00 C ATOM 1578 O LEU A 107 -0.391 -6.024 0.559 1.00 0.00 O ATOM 1579 CB LEU A 107 0.487 -3.811 2.424 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.596 -4.031 3.481 1.00 0.00 C ATOM 1581 CD1 LEU A 107 0.018 -4.544 4.775 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.368 -2.743 3.729 1.00 0.00 C ATOM 0 H LEU A 107 1.839 -4.034 0.255 1.00 0.00 H new ATOM 0 HA LEU A 107 1.852 -5.418 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.194 -3.074 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.020 -3.378 1.539 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.292 -4.783 3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.767 -4.695 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.526 -5.490 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.736 -3.815 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.135 -2.918 4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.684 -1.970 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.839 -2.417 2.802 1.00 0.00 H new ATOM 1594 N ARG A 108 0.267 -7.236 2.338 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.614 -8.358 2.038 1.00 0.00 C ATOM 1596 C ARG A 108 -1.968 -8.185 2.720 1.00 0.00 C ATOM 1597 O ARG A 108 -2.100 -8.401 3.925 1.00 0.00 O ATOM 1598 CB ARG A 108 0.029 -9.672 2.484 1.00 0.00 C ATOM 1599 CG ARG A 108 -0.809 -10.900 2.164 1.00 0.00 C ATOM 1600 CD ARG A 108 -0.085 -12.182 2.543 1.00 0.00 C ATOM 1601 NE ARG A 108 -0.369 -12.585 3.918 1.00 0.00 N ATOM 1602 CZ ARG A 108 -1.574 -12.951 4.343 1.00 0.00 C ATOM 1603 NH1 ARG A 108 -2.600 -12.964 3.504 1.00 0.00 N ATOM 1604 NH2 ARG A 108 -1.753 -13.304 5.609 1.00 0.00 N ATOM 0 H ARG A 108 0.836 -7.359 3.175 1.00 0.00 H new ATOM 0 HA ARG A 108 -0.771 -8.385 0.960 1.00 0.00 H new ATOM 0 HB2 ARG A 108 1.002 -9.772 2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 108 0.206 -9.634 3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.757 -10.844 2.699 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.044 -10.914 1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -0.381 -12.980 1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 108 0.989 -12.041 2.421 1.00 0.00 H new ATOM 0 HE ARG A 108 0.399 -12.586 4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -2.466 -12.693 2.530 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -3.524 -13.245 3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -0.966 -13.295 6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.678 -13.585 5.934 1.00 0.00 H new ATOM 1618 N VAL A 109 -2.971 -7.792 1.942 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.315 -7.590 2.470 1.00 0.00 C ATOM 1620 C VAL A 109 -5.282 -8.638 1.929 1.00 0.00 C ATOM 1621 O VAL A 109 -5.042 -9.234 0.880 1.00 0.00 O ATOM 1622 CB VAL A 109 -4.849 -6.188 2.124 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.243 -5.990 2.699 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -3.897 -5.115 2.631 1.00 0.00 C ATOM 0 H VAL A 109 -2.878 -7.607 0.943 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.247 -7.688 3.553 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.914 -6.101 1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.604 -4.993 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.918 -6.738 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.208 -6.097 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.290 -4.130 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.798 -5.199 3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.920 -5.246 2.166 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.375 -8.857 2.654 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.378 -9.834 2.246 1.00 0.00 C ATOM 1636 C GLU A 110 -8.786 -9.277 2.432 1.00 0.00 C ATOM 1637 O GLU A 110 -9.154 -8.838 3.522 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.218 -11.127 3.049 1.00 0.00 C ATOM 1639 CG GLU A 110 -8.137 -12.246 2.588 1.00 0.00 C ATOM 1640 CD GLU A 110 -8.096 -13.450 3.509 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -7.007 -14.041 3.664 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -9.153 -13.801 4.074 1.00 0.00 O ATOM 0 H GLU A 110 -6.588 -8.372 3.526 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.229 -10.051 1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.184 -11.464 2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.413 -10.918 4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.159 -11.872 2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.853 -12.553 1.581 1.00 0.00 H new ATOM 1649 N THR A 111 -9.571 -9.298 1.359 1.00 0.00 N ATOM 1650 CA THR A 111 -10.938 -8.795 1.402 1.00 0.00 C ATOM 1651 C THR A 111 -11.847 -9.738 2.182 1.00 0.00 C ATOM 1652 O THR A 111 -11.411 -10.790 2.649 1.00 0.00 O ATOM 1653 CB THR A 111 -11.511 -8.602 -0.015 1.00 0.00 C ATOM 1654 OG1 THR A 111 -11.083 -9.672 -0.866 1.00 0.00 O ATOM 1655 CG2 THR A 111 -11.066 -7.271 -0.602 1.00 0.00 C ATOM 0 H THR A 111 -9.283 -9.658 0.449 1.00 0.00 H new ATOM 0 HA THR A 111 -10.903 -7.829 1.906 1.00 0.00 H new ATOM 0 HB THR A 111 -12.599 -8.605 0.053 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.136 -9.387 -1.802 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.483 -7.157 -1.603 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.418 -6.458 0.032 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.978 -7.243 -0.657 1.00 0.00 H new ATOM 1663 N GLN A 112 -13.113 -9.356 2.317 1.00 0.00 N ATOM 1664 CA GLN A 112 -14.083 -10.169 3.040 1.00 0.00 C ATOM 1665 C GLN A 112 -15.073 -10.819 2.079 1.00 0.00 C ATOM 1666 O GLN A 112 -15.422 -10.262 1.039 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.834 -9.315 4.064 1.00 0.00 C ATOM 1668 CG GLN A 112 -14.028 -8.134 4.578 1.00 0.00 C ATOM 1669 CD GLN A 112 -14.664 -7.475 5.787 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -15.809 -7.767 6.136 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -13.924 -6.582 6.433 1.00 0.00 N ATOM 0 H GLN A 112 -13.491 -8.489 1.935 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.541 -10.957 3.562 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.755 -8.947 3.612 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -15.122 -9.943 4.907 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.024 -8.470 4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -13.921 -7.398 3.782 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.980 -6.371 6.108 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.299 -6.107 7.254 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.535 -12.027 2.434 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.491 -12.780 1.616 1.00 0.00 C ATOM 1682 C PRO A 113 -17.877 -12.143 1.609 1.00 0.00 C ATOM 1683 O PRO A 113 -18.546 -12.082 2.640 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.537 -14.151 2.294 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.146 -13.887 3.708 1.00 0.00 C ATOM 1686 CD PRO A 113 -15.162 -12.752 3.660 1.00 0.00 C ATOM 0 HA PRO A 113 -16.190 -12.817 0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.533 -14.589 2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.851 -14.852 1.818 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -17.015 -13.625 4.311 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.699 -14.772 4.161 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -15.239 -12.116 4.542 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -14.134 -13.113 3.616 1.00 0.00 H new