USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 521 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 69 TYR OH : rot 180:sc= -0.124 USER MOD Set 1.2: A 73 GLN : amide:sc= 0.51 X(o=0.39,f=0.77) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0337 USER MOD Single : A 18 GLN : amide:sc=-0.000534 K(o=-0.00053,f=-0.87) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0788) USER MOD Single : A 22 THR OG1 : rot 67:sc= 0.732 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.32 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= -1.07 (180deg=-1.07) USER MOD Single : A 38 ASN : amide:sc= -0.0623 X(o=-0.062,f=0) USER MOD Single : A 40 ASN : amide:sc= -1.77! C(o=-1.8!,f=-4.5!) USER MOD Single : A 41 CYS SG : rot -26:sc= -3.5! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -163:sc= -0.0772 (180deg=-0.366) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -153:sc= -1.92! (180deg=-3.39!) USER MOD Single : A 50 SER OG : rot 160:sc= 0 USER MOD Single : A 51 SER OG : rot -59:sc= 0.0731 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 167:sc= -0.0192 (180deg=-0.21) USER MOD Single : A 58 THR OG1 : rot 161:sc= 1.19 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= -0.0064 (180deg=-0.196) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.770 6.604 -3.385 1.00 34.34 N ATOM 220 CA ILE A 15 10.463 5.932 -3.425 1.00 23.52 C ATOM 221 C ILE A 15 9.464 6.585 -2.453 1.00 50.52 C ATOM 222 O ILE A 15 9.677 6.606 -1.239 1.00 4.51 O ATOM 223 CB ILE A 15 10.591 4.418 -3.099 1.00 54.20 C ATOM 224 CG1 ILE A 15 11.423 3.708 -4.181 1.00 10.52 C ATOM 225 CG2 ILE A 15 9.209 3.768 -2.961 1.00 31.23 C ATOM 226 CD1 ILE A 15 11.585 2.219 -3.958 1.00 3.12 C ATOM 0 HA ILE A 15 10.086 6.041 -4.442 1.00 23.52 H new ATOM 0 HB ILE A 15 11.105 4.315 -2.143 1.00 54.20 H new ATOM 0 HG12 ILE A 15 10.953 3.870 -5.151 1.00 10.52 H new ATOM 0 HG13 ILE A 15 12.410 4.168 -4.225 1.00 10.52 H new ATOM 0 HG21 ILE A 15 9.326 2.709 -2.733 1.00 31.23 H new ATOM 0 HG22 ILE A 15 8.657 4.254 -2.156 1.00 31.23 H new ATOM 0 HG23 ILE A 15 8.660 3.879 -3.896 1.00 31.23 H new ATOM 0 HD11 ILE A 15 12.183 1.793 -4.764 1.00 3.12 H new ATOM 0 HD12 ILE A 15 12.084 2.046 -3.005 1.00 3.12 H new ATOM 0 HD13 ILE A 15 10.604 1.744 -3.945 1.00 3.12 H new ATOM 238 N THR A 16 8.376 7.124 -3.001 1.00 30.41 N ATOM 239 CA THR A 16 7.309 7.740 -2.194 1.00 44.23 C ATOM 240 C THR A 16 6.170 6.748 -1.943 1.00 42.23 C ATOM 241 O THR A 16 6.231 5.601 -2.386 1.00 12.12 O ATOM 242 CB THR A 16 6.717 8.986 -2.895 1.00 51.21 C ATOM 243 OG1 THR A 16 6.000 8.590 -4.078 1.00 32.35 O ATOM 244 CG2 THR A 16 7.815 9.981 -3.266 1.00 53.30 C ATOM 0 H THR A 16 8.204 7.149 -4.006 1.00 30.41 H new ATOM 0 HA THR A 16 7.763 8.035 -1.248 1.00 44.23 H new ATOM 0 HB THR A 16 6.033 9.473 -2.200 1.00 51.21 H new ATOM 0 HG1 THR A 16 5.627 9.384 -4.515 1.00 32.35 H new ATOM 0 HG21 THR A 16 7.371 10.847 -3.757 1.00 53.30 H new ATOM 0 HG22 THR A 16 8.335 10.303 -2.363 1.00 53.30 H new ATOM 0 HG23 THR A 16 8.524 9.504 -3.943 1.00 53.30 H new ATOM 252 N LEU A 17 5.121 7.194 -1.251 1.00 32.44 N ATOM 253 CA LEU A 17 3.936 6.354 -1.010 1.00 63.50 C ATOM 254 C LEU A 17 3.339 5.843 -2.334 1.00 53.13 C ATOM 255 O LEU A 17 2.770 4.750 -2.394 1.00 34.12 O ATOM 256 CB LEU A 17 2.876 7.145 -0.224 1.00 5.21 C ATOM 257 CG LEU A 17 1.577 6.381 0.101 1.00 63.23 C ATOM 258 CD1 LEU A 17 1.872 5.126 0.918 1.00 72.51 C ATOM 259 CD2 LEU A 17 0.588 7.284 0.840 1.00 41.23 C ATOM 0 H LEU A 17 5.063 8.129 -0.847 1.00 32.44 H new ATOM 0 HA LEU A 17 4.248 5.491 -0.422 1.00 63.50 H new ATOM 0 HB2 LEU A 17 3.321 7.483 0.712 1.00 5.21 H new ATOM 0 HB3 LEU A 17 2.618 8.037 -0.794 1.00 5.21 H new ATOM 0 HG LEU A 17 1.123 6.073 -0.841 1.00 63.23 H new ATOM 0 HD11 LEU A 17 0.939 4.605 1.134 1.00 72.51 H new ATOM 0 HD12 LEU A 17 2.531 4.469 0.351 1.00 72.51 H new ATOM 0 HD13 LEU A 17 2.356 5.406 1.853 1.00 72.51 H new ATOM 0 HD21 LEU A 17 -0.321 6.725 1.059 1.00 41.23 H new ATOM 0 HD22 LEU A 17 1.036 7.628 1.772 1.00 41.23 H new ATOM 0 HD23 LEU A 17 0.344 8.143 0.216 1.00 41.23 H new ATOM 271 N GLN A 18 3.499 6.633 -3.397 1.00 54.33 N ATOM 272 CA GLN A 18 3.009 6.264 -4.730 1.00 2.03 C ATOM 273 C GLN A 18 3.675 4.975 -5.235 1.00 41.33 C ATOM 274 O GLN A 18 3.007 3.966 -5.479 1.00 23.24 O ATOM 275 CB GLN A 18 3.286 7.407 -5.720 1.00 13.14 C ATOM 276 CG GLN A 18 2.861 7.108 -7.155 1.00 13.03 C ATOM 277 CD GLN A 18 3.350 8.152 -8.148 1.00 44.42 C ATOM 278 OE1 GLN A 18 4.402 8.763 -7.965 1.00 63.11 O ATOM 279 NE2 GLN A 18 2.598 8.364 -9.207 1.00 52.33 N ATOM 0 H GLN A 18 3.967 7.539 -3.362 1.00 54.33 H new ATOM 0 HA GLN A 18 1.936 6.087 -4.657 1.00 2.03 H new ATOM 0 HB2 GLN A 18 2.767 8.302 -5.378 1.00 13.14 H new ATOM 0 HB3 GLN A 18 4.352 7.633 -5.708 1.00 13.14 H new ATOM 0 HG2 GLN A 18 3.244 6.130 -7.446 1.00 13.03 H new ATOM 0 HG3 GLN A 18 1.774 7.051 -7.202 1.00 13.03 H new ATOM 0 HE21 GLN A 18 1.731 7.841 -9.330 1.00 52.33 H new ATOM 0 HE22 GLN A 18 2.882 9.051 -9.905 1.00 52.33 H new ATOM 288 N LYS A 19 4.999 5.015 -5.394 1.00 31.33 N ATOM 289 CA LYS A 19 5.751 3.853 -5.879 1.00 3.35 C ATOM 290 C LYS A 19 5.763 2.726 -4.833 1.00 24.03 C ATOM 291 O LYS A 19 5.781 1.548 -5.180 1.00 51.02 O ATOM 292 CB LYS A 19 7.183 4.259 -6.257 1.00 45.22 C ATOM 293 CG LYS A 19 7.993 3.141 -6.917 1.00 62.33 C ATOM 294 CD LYS A 19 7.285 2.585 -8.152 1.00 71.13 C ATOM 295 CE LYS A 19 8.093 1.481 -8.827 1.00 62.13 C ATOM 296 NZ LYS A 19 9.362 1.988 -9.400 1.00 62.32 N ATOM 0 H LYS A 19 5.572 5.835 -5.195 1.00 31.33 H new ATOM 0 HA LYS A 19 5.252 3.475 -6.771 1.00 3.35 H new ATOM 0 HB2 LYS A 19 7.141 5.112 -6.934 1.00 45.22 H new ATOM 0 HB3 LYS A 19 7.705 4.590 -5.359 1.00 45.22 H new ATOM 0 HG2 LYS A 19 8.975 3.521 -7.200 1.00 62.33 H new ATOM 0 HG3 LYS A 19 8.157 2.338 -6.199 1.00 62.33 H new ATOM 0 HD2 LYS A 19 6.308 2.195 -7.865 1.00 71.13 H new ATOM 0 HD3 LYS A 19 7.110 3.392 -8.863 1.00 71.13 H new ATOM 0 HE2 LYS A 19 8.311 0.697 -8.102 1.00 62.13 H new ATOM 0 HE3 LYS A 19 7.495 1.027 -9.617 1.00 62.13 H new ATOM 0 HZ1 LYS A 19 9.804 1.244 -9.977 1.00 62.32 H new ATOM 0 HZ2 LYS A 19 9.167 2.818 -9.995 1.00 62.32 H new ATOM 0 HZ3 LYS A 19 10.007 2.258 -8.630 1.00 62.32 H new ATOM 310 N LEU A 20 5.735 3.105 -3.558 1.00 63.43 N ATOM 311 CA LEU A 20 5.646 2.143 -2.454 1.00 20.43 C ATOM 312 C LEU A 20 4.410 1.243 -2.625 1.00 1.32 C ATOM 313 O LEU A 20 4.510 0.011 -2.608 1.00 22.44 O ATOM 314 CB LEU A 20 5.597 2.913 -1.121 1.00 32.23 C ATOM 315 CG LEU A 20 5.665 2.073 0.172 1.00 71.43 C ATOM 316 CD1 LEU A 20 6.156 2.931 1.337 1.00 62.20 C ATOM 317 CD2 LEU A 20 4.304 1.460 0.512 1.00 34.22 C ATOM 0 H LEU A 20 5.773 4.079 -3.258 1.00 63.43 H new ATOM 0 HA LEU A 20 6.524 1.496 -2.456 1.00 20.43 H new ATOM 0 HB2 LEU A 20 6.424 3.623 -1.108 1.00 32.23 H new ATOM 0 HB3 LEU A 20 4.676 3.496 -1.099 1.00 32.23 H new ATOM 0 HG LEU A 20 6.370 1.260 0.003 1.00 71.43 H new ATOM 0 HD11 LEU A 20 6.199 2.325 2.242 1.00 62.20 H new ATOM 0 HD12 LEU A 20 7.150 3.317 1.111 1.00 62.20 H new ATOM 0 HD13 LEU A 20 5.470 3.764 1.490 1.00 62.20 H new ATOM 0 HD21 LEU A 20 4.387 0.875 1.428 1.00 34.22 H new ATOM 0 HD22 LEU A 20 3.572 2.255 0.654 1.00 34.22 H new ATOM 0 HD23 LEU A 20 3.982 0.813 -0.304 1.00 34.22 H new ATOM 329 N LEU A 21 3.249 1.874 -2.797 1.00 12.43 N ATOM 330 CA LEU A 21 2.002 1.149 -3.053 1.00 10.40 C ATOM 331 C LEU A 21 2.104 0.324 -4.346 1.00 4.32 C ATOM 332 O LEU A 21 1.660 -0.822 -4.400 1.00 11.24 O ATOM 333 CB LEU A 21 0.824 2.131 -3.144 1.00 75.13 C ATOM 334 CG LEU A 21 -0.554 1.489 -3.390 1.00 64.12 C ATOM 335 CD1 LEU A 21 -0.933 0.552 -2.244 1.00 55.24 C ATOM 336 CD2 LEU A 21 -1.622 2.563 -3.585 1.00 52.10 C ATOM 0 H LEU A 21 3.145 2.888 -2.764 1.00 12.43 H new ATOM 0 HA LEU A 21 1.829 0.465 -2.222 1.00 10.40 H new ATOM 0 HB2 LEU A 21 0.779 2.704 -2.218 1.00 75.13 H new ATOM 0 HB3 LEU A 21 1.025 2.839 -3.948 1.00 75.13 H new ATOM 0 HG LEU A 21 -0.493 0.897 -4.303 1.00 64.12 H new ATOM 0 HD11 LEU A 21 -1.910 0.112 -2.442 1.00 55.24 H new ATOM 0 HD12 LEU A 21 -0.188 -0.240 -2.160 1.00 55.24 H new ATOM 0 HD13 LEU A 21 -0.971 1.115 -1.311 1.00 55.24 H new ATOM 0 HD21 LEU A 21 -2.588 2.088 -3.757 1.00 52.10 H new ATOM 0 HD22 LEU A 21 -1.678 3.187 -2.693 1.00 52.10 H new ATOM 0 HD23 LEU A 21 -1.363 3.182 -4.444 1.00 52.10 H new ATOM 348 N THR A 22 2.709 0.914 -5.379 1.00 21.04 N ATOM 349 CA THR A 22 2.889 0.233 -6.674 1.00 41.42 C ATOM 350 C THR A 22 3.618 -1.111 -6.511 1.00 73.32 C ATOM 351 O THR A 22 3.151 -2.145 -6.998 1.00 34.41 O ATOM 352 CB THR A 22 3.671 1.116 -7.682 1.00 11.14 C ATOM 353 OG1 THR A 22 2.979 2.357 -7.898 1.00 54.14 O ATOM 354 CG2 THR A 22 3.857 0.400 -9.018 1.00 63.31 C ATOM 0 H THR A 22 3.084 1.862 -5.349 1.00 21.04 H new ATOM 0 HA THR A 22 1.888 0.049 -7.065 1.00 41.42 H new ATOM 0 HB THR A 22 4.654 1.315 -7.255 1.00 11.14 H new ATOM 0 HG1 THR A 22 2.995 2.888 -7.074 1.00 54.14 H new ATOM 0 HG21 THR A 22 4.408 1.045 -9.703 1.00 63.31 H new ATOM 0 HG22 THR A 22 4.414 -0.524 -8.861 1.00 63.31 H new ATOM 0 HG23 THR A 22 2.881 0.167 -9.445 1.00 63.31 H new ATOM 362 N GLU A 23 4.756 -1.092 -5.816 1.00 11.32 N ATOM 363 CA GLU A 23 5.533 -2.312 -5.551 1.00 13.34 C ATOM 364 C GLU A 23 4.675 -3.380 -4.855 1.00 62.33 C ATOM 365 O GLU A 23 4.714 -4.561 -5.214 1.00 41.40 O ATOM 366 CB GLU A 23 6.760 -1.983 -4.683 1.00 42.05 C ATOM 367 CG GLU A 23 7.763 -1.034 -5.341 1.00 12.01 C ATOM 368 CD GLU A 23 8.429 -1.629 -6.577 1.00 34.54 C ATOM 369 OE1 GLU A 23 7.893 -1.459 -7.694 1.00 43.24 O ATOM 370 OE2 GLU A 23 9.494 -2.272 -6.433 1.00 51.24 O ATOM 0 H GLU A 23 5.165 -0.244 -5.424 1.00 11.32 H new ATOM 0 HA GLU A 23 5.864 -2.711 -6.510 1.00 13.34 H new ATOM 0 HB2 GLU A 23 6.420 -1.540 -3.747 1.00 42.05 H new ATOM 0 HB3 GLU A 23 7.270 -2.912 -4.429 1.00 42.05 H new ATOM 0 HG2 GLU A 23 7.253 -0.112 -5.619 1.00 12.01 H new ATOM 0 HG3 GLU A 23 8.531 -0.767 -4.615 1.00 12.01 H new ATOM 377 N LEU A 24 3.893 -2.959 -3.863 1.00 21.43 N ATOM 378 CA LEU A 24 3.005 -3.876 -3.138 1.00 53.22 C ATOM 379 C LEU A 24 1.926 -4.471 -4.064 1.00 60.12 C ATOM 380 O LEU A 24 1.646 -5.671 -4.020 1.00 31.25 O ATOM 381 CB LEU A 24 2.343 -3.152 -1.957 1.00 61.23 C ATOM 382 CG LEU A 24 3.310 -2.578 -0.907 1.00 2.32 C ATOM 383 CD1 LEU A 24 2.534 -1.919 0.228 1.00 71.44 C ATOM 384 CD2 LEU A 24 4.237 -3.668 -0.371 1.00 71.14 C ATOM 0 H LEU A 24 3.853 -1.992 -3.541 1.00 21.43 H new ATOM 0 HA LEU A 24 3.614 -4.698 -2.761 1.00 53.22 H new ATOM 0 HB2 LEU A 24 1.733 -2.337 -2.348 1.00 61.23 H new ATOM 0 HB3 LEU A 24 1.666 -3.847 -1.461 1.00 61.23 H new ATOM 0 HG LEU A 24 3.927 -1.818 -1.387 1.00 2.32 H new ATOM 0 HD11 LEU A 24 3.233 -1.518 0.962 1.00 71.44 H new ATOM 0 HD12 LEU A 24 1.923 -1.109 -0.171 1.00 71.44 H new ATOM 0 HD13 LEU A 24 1.890 -2.658 0.706 1.00 71.44 H new ATOM 0 HD21 LEU A 24 4.912 -3.240 0.370 1.00 71.14 H new ATOM 0 HD22 LEU A 24 3.643 -4.456 0.092 1.00 71.14 H new ATOM 0 HD23 LEU A 24 4.818 -4.087 -1.192 1.00 71.14 H new ATOM 396 N VAL A 25 1.332 -3.624 -4.901 1.00 24.53 N ATOM 397 CA VAL A 25 0.308 -4.062 -5.858 1.00 61.23 C ATOM 398 C VAL A 25 0.863 -5.093 -6.854 1.00 64.01 C ATOM 399 O VAL A 25 0.239 -6.120 -7.114 1.00 2.51 O ATOM 400 CB VAL A 25 -0.271 -2.862 -6.651 1.00 32.31 C ATOM 401 CG1 VAL A 25 -1.249 -3.334 -7.729 1.00 1.31 C ATOM 402 CG2 VAL A 25 -0.946 -1.866 -5.710 1.00 31.32 C ATOM 0 H VAL A 25 1.540 -2.626 -4.939 1.00 24.53 H new ATOM 0 HA VAL A 25 -0.484 -4.526 -5.271 1.00 61.23 H new ATOM 0 HB VAL A 25 0.558 -2.358 -7.147 1.00 32.31 H new ATOM 0 HG11 VAL A 25 -1.639 -2.471 -8.269 1.00 1.31 H new ATOM 0 HG12 VAL A 25 -0.732 -3.995 -8.425 1.00 1.31 H new ATOM 0 HG13 VAL A 25 -2.073 -3.873 -7.262 1.00 1.31 H new ATOM 0 HG21 VAL A 25 -1.345 -1.032 -6.288 1.00 31.32 H new ATOM 0 HG22 VAL A 25 -1.759 -2.361 -5.179 1.00 31.32 H new ATOM 0 HG23 VAL A 25 -0.217 -1.493 -4.991 1.00 31.32 H new ATOM 412 N GLU A 26 2.038 -4.811 -7.402 1.00 62.24 N ATOM 413 CA GLU A 26 2.656 -5.684 -8.407 1.00 32.12 C ATOM 414 C GLU A 26 3.200 -6.985 -7.791 1.00 43.35 C ATOM 415 O GLU A 26 3.111 -8.050 -8.401 1.00 63.25 O ATOM 416 CB GLU A 26 3.778 -4.932 -9.131 1.00 72.24 C ATOM 417 CG GLU A 26 3.300 -3.685 -9.878 1.00 62.10 C ATOM 418 CD GLU A 26 2.428 -4.000 -11.089 1.00 21.43 C ATOM 419 OE1 GLU A 26 1.286 -4.477 -10.913 1.00 32.22 O ATOM 420 OE2 GLU A 26 2.875 -3.756 -12.229 1.00 44.40 O ATOM 0 H GLU A 26 2.588 -3.984 -7.170 1.00 62.24 H new ATOM 0 HA GLU A 26 1.881 -5.964 -9.121 1.00 32.12 H new ATOM 0 HB2 GLU A 26 4.536 -4.641 -8.404 1.00 72.24 H new ATOM 0 HB3 GLU A 26 4.258 -5.607 -9.839 1.00 72.24 H new ATOM 0 HG2 GLU A 26 2.739 -3.052 -9.191 1.00 62.10 H new ATOM 0 HG3 GLU A 26 4.168 -3.111 -10.204 1.00 62.10 H new ATOM 427 N HIS A 27 3.763 -6.893 -6.587 1.00 30.21 N ATOM 428 CA HIS A 27 4.329 -8.068 -5.904 1.00 14.32 C ATOM 429 C HIS A 27 3.226 -8.968 -5.316 1.00 15.10 C ATOM 430 O HIS A 27 3.253 -10.192 -5.484 1.00 35.23 O ATOM 431 CB HIS A 27 5.294 -7.616 -4.796 1.00 2.24 C ATOM 432 CG HIS A 27 6.098 -8.733 -4.190 1.00 61.10 C ATOM 433 ND1 HIS A 27 7.353 -9.083 -4.639 1.00 13.54 N ATOM 434 CD2 HIS A 27 5.830 -9.567 -3.157 1.00 33.44 C ATOM 435 CE1 HIS A 27 7.818 -10.081 -3.916 1.00 50.31 C ATOM 436 NE2 HIS A 27 6.915 -10.395 -3.009 1.00 74.51 N ATOM 0 H HIS A 27 3.842 -6.023 -6.061 1.00 30.21 H new ATOM 0 HA HIS A 27 4.876 -8.655 -6.642 1.00 14.32 H new ATOM 0 HB2 HIS A 27 5.977 -6.871 -5.205 1.00 2.24 H new ATOM 0 HB3 HIS A 27 4.722 -7.125 -4.008 1.00 2.24 H new ATOM 0 HD2 HIS A 27 4.930 -9.579 -2.560 1.00 33.44 H new ATOM 0 HE1 HIS A 27 8.777 -10.561 -4.045 1.00 50.31 H new ATOM 0 HE2 HIS A 27 7.007 -11.133 -2.311 1.00 74.51 H new ATOM 445 N TYR A 28 2.263 -8.365 -4.615 1.00 42.11 N ATOM 446 CA TYR A 28 1.174 -9.123 -3.977 1.00 11.44 C ATOM 447 C TYR A 28 -0.111 -9.102 -4.828 1.00 31.31 C ATOM 448 O TYR A 28 -0.501 -10.112 -5.417 1.00 63.42 O ATOM 449 CB TYR A 28 0.865 -8.551 -2.583 1.00 73.34 C ATOM 450 CG TYR A 28 2.053 -8.508 -1.636 1.00 55.43 C ATOM 451 CD1 TYR A 28 2.423 -9.625 -0.893 1.00 31.54 C ATOM 452 CD2 TYR A 28 2.800 -7.343 -1.481 1.00 53.23 C ATOM 453 CE1 TYR A 28 3.499 -9.579 -0.023 1.00 71.21 C ATOM 454 CE2 TYR A 28 3.873 -7.290 -0.612 1.00 22.22 C ATOM 455 CZ TYR A 28 4.221 -8.409 0.114 1.00 32.02 C ATOM 456 OH TYR A 28 5.292 -8.356 0.982 1.00 35.01 O ATOM 0 H TYR A 28 2.211 -7.356 -4.473 1.00 42.11 H new ATOM 0 HA TYR A 28 1.512 -10.155 -3.886 1.00 11.44 H new ATOM 0 HB2 TYR A 28 0.473 -7.540 -2.699 1.00 73.34 H new ATOM 0 HB3 TYR A 28 0.076 -9.149 -2.127 1.00 73.34 H new ATOM 0 HD1 TYR A 28 1.862 -10.542 -0.997 1.00 31.54 H new ATOM 0 HD2 TYR A 28 2.536 -6.464 -2.051 1.00 53.23 H new ATOM 0 HE1 TYR A 28 3.773 -10.455 0.547 1.00 71.21 H new ATOM 0 HE2 TYR A 28 4.437 -6.375 -0.502 1.00 22.22 H new ATOM 0 HH TYR A 28 5.704 -9.243 1.048 1.00 35.01 H new ATOM 466 N GLY A 29 -0.753 -7.938 -4.893 1.00 41.43 N ATOM 467 CA GLY A 29 -2.032 -7.805 -5.590 1.00 63.43 C ATOM 468 C GLY A 29 -3.078 -7.075 -4.751 1.00 4.23 C ATOM 469 O GLY A 29 -2.996 -7.067 -3.522 1.00 1.30 O ATOM 0 H GLY A 29 -0.410 -7.074 -4.473 1.00 41.43 H new ATOM 0 HA2 GLY A 29 -1.879 -7.266 -6.525 1.00 63.43 H new ATOM 0 HA3 GLY A 29 -2.406 -8.795 -5.851 1.00 63.43 H new ATOM 473 N TRP A 30 -4.065 -6.470 -5.407 1.00 14.15 N ATOM 474 CA TRP A 30 -5.093 -5.681 -4.710 1.00 73.14 C ATOM 475 C TRP A 30 -5.843 -6.511 -3.657 1.00 30.12 C ATOM 476 O TRP A 30 -5.953 -6.107 -2.498 1.00 53.24 O ATOM 477 CB TRP A 30 -6.089 -5.092 -5.715 1.00 71.32 C ATOM 478 CG TRP A 30 -5.469 -4.126 -6.683 1.00 55.23 C ATOM 479 CD1 TRP A 30 -5.140 -4.366 -7.986 1.00 23.45 C ATOM 480 CD2 TRP A 30 -5.098 -2.767 -6.419 1.00 4.50 C ATOM 481 NE1 TRP A 30 -4.593 -3.241 -8.549 1.00 15.44 N ATOM 482 CE2 TRP A 30 -4.555 -2.245 -7.608 1.00 2.22 C ATOM 483 CE3 TRP A 30 -5.173 -1.941 -5.293 1.00 71.50 C ATOM 484 CZ2 TRP A 30 -4.092 -0.934 -7.704 1.00 13.43 C ATOM 485 CZ3 TRP A 30 -4.713 -0.639 -5.389 1.00 13.15 C ATOM 486 CH2 TRP A 30 -4.178 -0.147 -6.587 1.00 55.23 C ATOM 0 H TRP A 30 -4.180 -6.507 -6.420 1.00 14.15 H new ATOM 0 HA TRP A 30 -4.579 -4.872 -4.191 1.00 73.14 H new ATOM 0 HB2 TRP A 30 -6.552 -5.905 -6.273 1.00 71.32 H new ATOM 0 HB3 TRP A 30 -6.885 -4.586 -5.170 1.00 71.32 H new ATOM 0 HD1 TRP A 30 -5.289 -5.305 -8.499 1.00 23.45 H new ATOM 0 HE1 TRP A 30 -4.267 -3.159 -9.512 1.00 15.44 H new ATOM 0 HE3 TRP A 30 -5.582 -2.312 -4.365 1.00 71.50 H new ATOM 0 HZ2 TRP A 30 -3.680 -0.552 -8.627 1.00 13.43 H new ATOM 0 HZ3 TRP A 30 -4.767 0.008 -4.526 1.00 13.15 H new ATOM 0 HH2 TRP A 30 -3.827 0.873 -6.630 1.00 55.23 H new ATOM 497 N GLU A 31 -6.344 -7.677 -4.061 1.00 1.42 N ATOM 498 CA GLU A 31 -7.094 -8.556 -3.153 1.00 62.30 C ATOM 499 C GLU A 31 -6.231 -9.062 -1.984 1.00 34.20 C ATOM 500 O GLU A 31 -6.755 -9.530 -0.972 1.00 40.32 O ATOM 501 CB GLU A 31 -7.686 -9.741 -3.925 1.00 42.30 C ATOM 502 CG GLU A 31 -8.798 -9.350 -4.897 1.00 32.14 C ATOM 503 CD GLU A 31 -10.015 -8.764 -4.189 1.00 14.54 C ATOM 504 OE1 GLU A 31 -10.800 -9.541 -3.605 1.00 60.34 O ATOM 505 OE2 GLU A 31 -10.195 -7.529 -4.218 1.00 23.22 O ATOM 0 H GLU A 31 -6.247 -8.039 -5.010 1.00 1.42 H new ATOM 0 HA GLU A 31 -7.902 -7.962 -2.726 1.00 62.30 H new ATOM 0 HB2 GLU A 31 -6.889 -10.236 -4.480 1.00 42.30 H new ATOM 0 HB3 GLU A 31 -8.077 -10.467 -3.213 1.00 42.30 H new ATOM 0 HG2 GLU A 31 -8.412 -8.623 -5.611 1.00 32.14 H new ATOM 0 HG3 GLU A 31 -9.102 -10.227 -5.468 1.00 32.14 H new ATOM 512 N GLU A 32 -4.908 -8.985 -2.130 1.00 3.42 N ATOM 513 CA GLU A 32 -3.990 -9.317 -1.034 1.00 3.53 C ATOM 514 C GLU A 32 -3.788 -8.106 -0.116 1.00 63.54 C ATOM 515 O GLU A 32 -3.737 -8.240 1.108 1.00 11.55 O ATOM 516 CB GLU A 32 -2.637 -9.799 -1.581 1.00 24.12 C ATOM 517 CG GLU A 32 -2.721 -11.086 -2.393 1.00 65.41 C ATOM 518 CD GLU A 32 -3.354 -12.234 -1.615 1.00 3.43 C ATOM 519 OE1 GLU A 32 -2.639 -12.893 -0.832 1.00 64.11 O ATOM 520 OE2 GLU A 32 -4.570 -12.481 -1.782 1.00 15.23 O ATOM 0 H GLU A 32 -4.447 -8.697 -2.993 1.00 3.42 H new ATOM 0 HA GLU A 32 -4.435 -10.126 -0.454 1.00 3.53 H new ATOM 0 HB2 GLU A 32 -2.209 -9.015 -2.205 1.00 24.12 H new ATOM 0 HB3 GLU A 32 -1.953 -9.952 -0.746 1.00 24.12 H new ATOM 0 HG2 GLU A 32 -3.301 -10.903 -3.297 1.00 65.41 H new ATOM 0 HG3 GLU A 32 -1.719 -11.376 -2.710 1.00 65.41 H new ATOM 527 N LEU A 33 -3.686 -6.921 -0.715 1.00 45.42 N ATOM 528 CA LEU A 33 -3.558 -5.677 0.052 1.00 74.00 C ATOM 529 C LEU A 33 -4.838 -5.399 0.856 1.00 63.02 C ATOM 530 O LEU A 33 -4.780 -4.875 1.966 1.00 24.13 O ATOM 531 CB LEU A 33 -3.255 -4.496 -0.881 1.00 72.23 C ATOM 532 CG LEU A 33 -1.996 -4.645 -1.751 1.00 54.31 C ATOM 533 CD1 LEU A 33 -1.818 -3.430 -2.652 1.00 61.22 C ATOM 534 CD2 LEU A 33 -0.758 -4.862 -0.884 1.00 22.43 C ATOM 0 H LEU A 33 -3.689 -6.793 -1.727 1.00 45.42 H new ATOM 0 HA LEU A 33 -2.728 -5.794 0.749 1.00 74.00 H new ATOM 0 HB2 LEU A 33 -4.112 -4.344 -1.537 1.00 72.23 H new ATOM 0 HB3 LEU A 33 -3.153 -3.595 -0.276 1.00 72.23 H new ATOM 0 HG LEU A 33 -2.123 -5.523 -2.384 1.00 54.31 H new ATOM 0 HD11 LEU A 33 -0.922 -3.556 -3.259 1.00 61.22 H new ATOM 0 HD12 LEU A 33 -2.686 -3.330 -3.303 1.00 61.22 H new ATOM 0 HD13 LEU A 33 -1.719 -2.534 -2.039 1.00 61.22 H new ATOM 0 HD21 LEU A 33 0.120 -4.965 -1.522 1.00 22.43 H new ATOM 0 HD22 LEU A 33 -0.625 -4.009 -0.219 1.00 22.43 H new ATOM 0 HD23 LEU A 33 -0.883 -5.768 -0.291 1.00 22.43 H new ATOM 546 N SER A 34 -5.988 -5.773 0.294 1.00 14.21 N ATOM 547 CA SER A 34 -7.287 -5.615 0.971 1.00 64.33 C ATOM 548 C SER A 34 -7.498 -6.698 2.040 1.00 21.11 C ATOM 549 O SER A 34 -8.422 -6.616 2.852 1.00 64.22 O ATOM 550 CB SER A 34 -8.439 -5.669 -0.043 1.00 1.25 C ATOM 551 OG SER A 34 -8.518 -6.942 -0.667 1.00 3.43 O ATOM 0 H SER A 34 -6.052 -6.191 -0.634 1.00 14.21 H new ATOM 0 HA SER A 34 -7.280 -4.640 1.459 1.00 64.33 H new ATOM 0 HB2 SER A 34 -9.380 -5.450 0.461 1.00 1.25 H new ATOM 0 HB3 SER A 34 -8.296 -4.899 -0.801 1.00 1.25 H new ATOM 0 HG SER A 34 -9.261 -6.947 -1.306 1.00 3.43 H new ATOM 557 N TYR A 35 -6.650 -7.727 2.019 1.00 45.02 N ATOM 558 CA TYR A 35 -6.684 -8.783 3.036 1.00 11.41 C ATOM 559 C TYR A 35 -5.734 -8.450 4.198 1.00 33.11 C ATOM 560 O TYR A 35 -6.052 -8.677 5.363 1.00 3.44 O ATOM 561 CB TYR A 35 -6.312 -10.137 2.410 1.00 34.51 C ATOM 562 CG TYR A 35 -6.506 -11.321 3.343 1.00 71.22 C ATOM 563 CD1 TYR A 35 -7.773 -11.854 3.559 1.00 63.10 C ATOM 564 CD2 TYR A 35 -5.427 -11.905 4.002 1.00 2.31 C ATOM 565 CE1 TYR A 35 -7.959 -12.930 4.405 1.00 61.33 C ATOM 566 CE2 TYR A 35 -5.607 -12.982 4.849 1.00 63.41 C ATOM 567 CZ TYR A 35 -6.875 -13.492 5.045 1.00 74.05 C ATOM 568 OH TYR A 35 -7.060 -14.568 5.887 1.00 73.54 O ATOM 0 H TYR A 35 -5.929 -7.853 1.308 1.00 45.02 H new ATOM 0 HA TYR A 35 -7.698 -8.847 3.432 1.00 11.41 H new ATOM 0 HB2 TYR A 35 -6.915 -10.290 1.515 1.00 34.51 H new ATOM 0 HB3 TYR A 35 -5.270 -10.105 2.091 1.00 34.51 H new ATOM 0 HD1 TYR A 35 -8.625 -11.419 3.057 1.00 63.10 H new ATOM 0 HD2 TYR A 35 -4.434 -11.510 3.849 1.00 2.31 H new ATOM 0 HE1 TYR A 35 -8.950 -13.329 4.564 1.00 61.33 H new ATOM 0 HE2 TYR A 35 -4.760 -13.422 5.355 1.00 63.41 H new ATOM 0 HH TYR A 35 -6.196 -14.846 6.257 1.00 73.54 H new ATOM 578 N MET A 36 -4.558 -7.916 3.872 1.00 33.53 N ATOM 579 CA MET A 36 -3.598 -7.476 4.891 1.00 23.15 C ATOM 580 C MET A 36 -4.050 -6.156 5.541 1.00 43.14 C ATOM 581 O MET A 36 -3.901 -5.958 6.746 1.00 63.23 O ATOM 582 CB MET A 36 -2.199 -7.336 4.277 1.00 24.30 C ATOM 583 CG MET A 36 -1.602 -8.663 3.819 1.00 1.04 C ATOM 584 SD MET A 36 0.037 -8.485 3.084 1.00 2.14 S ATOM 585 CE MET A 36 -0.348 -7.567 1.593 1.00 10.44 C ATOM 0 H MET A 36 -4.244 -7.776 2.912 1.00 33.53 H new ATOM 0 HA MET A 36 -3.556 -8.232 5.675 1.00 23.15 H new ATOM 0 HB2 MET A 36 -2.250 -6.656 3.426 1.00 24.30 H new ATOM 0 HB3 MET A 36 -1.533 -6.880 5.010 1.00 24.30 H new ATOM 0 HG2 MET A 36 -1.540 -9.340 4.671 1.00 1.04 H new ATOM 0 HG3 MET A 36 -2.271 -9.124 3.093 1.00 1.04 H new ATOM 0 HE1 MET A 36 0.569 -7.382 1.033 1.00 10.44 H new ATOM 0 HE2 MET A 36 -1.038 -8.145 0.978 1.00 10.44 H new ATOM 0 HE3 MET A 36 -0.809 -6.616 1.860 1.00 10.44 H new ATOM 595 N VAL A 37 -4.594 -5.250 4.729 1.00 74.22 N ATOM 596 CA VAL A 37 -5.242 -4.035 5.235 1.00 50.32 C ATOM 597 C VAL A 37 -6.747 -4.095 4.922 1.00 54.13 C ATOM 598 O VAL A 37 -7.179 -3.755 3.818 1.00 60.24 O ATOM 599 CB VAL A 37 -4.631 -2.750 4.612 1.00 44.12 C ATOM 600 CG1 VAL A 37 -5.226 -1.497 5.255 1.00 22.12 C ATOM 601 CG2 VAL A 37 -3.108 -2.753 4.736 1.00 5.31 C ATOM 0 H VAL A 37 -4.600 -5.333 3.712 1.00 74.22 H new ATOM 0 HA VAL A 37 -5.080 -3.990 6.312 1.00 50.32 H new ATOM 0 HB VAL A 37 -4.883 -2.739 3.551 1.00 44.12 H new ATOM 0 HG11 VAL A 37 -4.783 -0.610 4.802 1.00 22.12 H new ATOM 0 HG12 VAL A 37 -6.304 -1.484 5.097 1.00 22.12 H new ATOM 0 HG13 VAL A 37 -5.016 -1.502 6.325 1.00 22.12 H new ATOM 0 HG21 VAL A 37 -2.705 -1.843 4.292 1.00 5.31 H new ATOM 0 HG22 VAL A 37 -2.829 -2.798 5.789 1.00 5.31 H new ATOM 0 HG23 VAL A 37 -2.702 -3.621 4.216 1.00 5.31 H new ATOM 611 N ASN A 38 -7.538 -4.545 5.895 1.00 43.40 N ATOM 612 CA ASN A 38 -8.955 -4.862 5.665 1.00 25.13 C ATOM 613 C ASN A 38 -9.823 -3.605 5.485 1.00 33.45 C ATOM 614 O ASN A 38 -10.501 -3.165 6.419 1.00 34.44 O ATOM 615 CB ASN A 38 -9.498 -5.716 6.818 1.00 34.20 C ATOM 616 CG ASN A 38 -8.663 -6.962 7.054 1.00 53.45 C ATOM 617 OD1 ASN A 38 -8.893 -8.006 6.455 1.00 20.40 O ATOM 618 ND2 ASN A 38 -7.690 -6.868 7.940 1.00 25.41 N ATOM 0 H ASN A 38 -7.225 -4.700 6.853 1.00 43.40 H new ATOM 0 HA ASN A 38 -9.009 -5.423 4.732 1.00 25.13 H new ATOM 0 HB2 ASN A 38 -9.522 -5.119 7.730 1.00 34.20 H new ATOM 0 HB3 ASN A 38 -10.526 -6.006 6.600 1.00 34.20 H new ATOM 0 HD21 ASN A 38 -7.105 -7.678 8.142 1.00 25.41 H new ATOM 0 HD22 ASN A 38 -7.523 -5.985 8.422 1.00 25.41 H new ATOM 625 N ILE A 39 -9.782 -3.025 4.286 1.00 52.33 N ATOM 626 CA ILE A 39 -10.624 -1.868 3.936 1.00 72.24 C ATOM 627 C ILE A 39 -11.005 -1.875 2.444 1.00 14.20 C ATOM 628 O ILE A 39 -10.348 -2.517 1.620 1.00 25.53 O ATOM 629 CB ILE A 39 -9.935 -0.514 4.262 1.00 33.44 C ATOM 630 CG1 ILE A 39 -8.546 -0.447 3.605 1.00 55.24 C ATOM 631 CG2 ILE A 39 -9.848 -0.282 5.770 1.00 44.23 C ATOM 632 CD1 ILE A 39 -7.762 0.807 3.938 1.00 34.12 C ATOM 0 H ILE A 39 -9.171 -3.336 3.531 1.00 52.33 H new ATOM 0 HA ILE A 39 -11.522 -1.963 4.546 1.00 72.24 H new ATOM 0 HB ILE A 39 -10.547 0.287 3.848 1.00 33.44 H new ATOM 0 HG12 ILE A 39 -7.967 -1.317 3.915 1.00 55.24 H new ATOM 0 HG13 ILE A 39 -8.664 -0.512 2.523 1.00 55.24 H new ATOM 0 HG21 ILE A 39 -9.361 0.674 5.964 1.00 44.23 H new ATOM 0 HG22 ILE A 39 -10.852 -0.270 6.195 1.00 44.23 H new ATOM 0 HG23 ILE A 39 -9.269 -1.084 6.229 1.00 44.23 H new ATOM 0 HD11 ILE A 39 -6.795 0.776 3.436 1.00 34.12 H new ATOM 0 HD12 ILE A 39 -8.317 1.683 3.603 1.00 34.12 H new ATOM 0 HD13 ILE A 39 -7.609 0.865 5.016 1.00 34.12 H new ATOM 644 N ASN A 40 -12.055 -1.133 2.106 1.00 74.21 N ATOM 645 CA ASN A 40 -12.543 -1.029 0.724 1.00 23.32 C ATOM 646 C ASN A 40 -11.509 -0.368 -0.213 1.00 0.01 C ATOM 647 O ASN A 40 -11.569 -0.536 -1.430 1.00 13.41 O ATOM 648 CB ASN A 40 -13.857 -0.232 0.716 1.00 3.12 C ATOM 649 CG ASN A 40 -14.427 -0.037 -0.675 1.00 54.32 C ATOM 650 OD1 ASN A 40 -15.180 -0.867 -1.173 1.00 45.13 O ATOM 651 ND2 ASN A 40 -14.086 1.066 -1.307 1.00 60.21 N ATOM 0 H ASN A 40 -12.595 -0.586 2.777 1.00 74.21 H new ATOM 0 HA ASN A 40 -12.712 -2.037 0.346 1.00 23.32 H new ATOM 0 HB2 ASN A 40 -14.592 -0.748 1.334 1.00 3.12 H new ATOM 0 HB3 ASN A 40 -13.686 0.743 1.172 1.00 3.12 H new ATOM 0 HD21 ASN A 40 -14.451 1.252 -2.241 1.00 60.21 H new ATOM 0 HD22 ASN A 40 -13.457 1.735 -0.862 1.00 60.21 H new ATOM 658 N CYS A 41 -10.550 0.356 0.368 1.00 61.23 N ATOM 659 CA CYS A 41 -9.561 1.138 -0.403 1.00 61.32 C ATOM 660 C CYS A 41 -8.775 0.306 -1.438 1.00 4.32 C ATOM 661 O CYS A 41 -8.253 0.854 -2.410 1.00 12.45 O ATOM 662 CB CYS A 41 -8.570 1.816 0.547 1.00 70.02 C ATOM 663 SG CYS A 41 -7.287 2.780 -0.286 1.00 20.12 S ATOM 0 H CYS A 41 -10.431 0.422 1.379 1.00 61.23 H new ATOM 0 HA CYS A 41 -10.137 1.877 -0.960 1.00 61.32 H new ATOM 0 HB2 CYS A 41 -9.121 2.471 1.222 1.00 70.02 H new ATOM 0 HB3 CYS A 41 -8.094 1.053 1.162 1.00 70.02 H new ATOM 0 HG CYS A 41 -7.090 2.301 -1.478 1.00 20.12 H new ATOM 669 N PHE A 42 -8.663 -1.004 -1.217 1.00 74.10 N ATOM 670 CA PHE A 42 -7.953 -1.887 -2.162 1.00 35.03 C ATOM 671 C PHE A 42 -8.877 -2.995 -2.693 1.00 31.43 C ATOM 672 O PHE A 42 -8.431 -3.935 -3.353 1.00 0.12 O ATOM 673 CB PHE A 42 -6.727 -2.514 -1.479 1.00 54.41 C ATOM 674 CG PHE A 42 -5.807 -1.506 -0.834 1.00 44.33 C ATOM 675 CD1 PHE A 42 -5.165 -0.540 -1.597 1.00 4.14 C ATOM 676 CD2 PHE A 42 -5.590 -1.521 0.537 1.00 52.54 C ATOM 677 CE1 PHE A 42 -4.327 0.386 -1.008 1.00 44.44 C ATOM 678 CE2 PHE A 42 -4.750 -0.597 1.131 1.00 71.32 C ATOM 679 CZ PHE A 42 -4.120 0.358 0.358 1.00 65.32 C ATOM 0 H PHE A 42 -9.049 -1.480 -0.402 1.00 74.10 H new ATOM 0 HA PHE A 42 -7.628 -1.281 -3.007 1.00 35.03 H new ATOM 0 HB2 PHE A 42 -7.066 -3.220 -0.721 1.00 54.41 H new ATOM 0 HB3 PHE A 42 -6.164 -3.086 -2.217 1.00 54.41 H new ATOM 0 HD1 PHE A 42 -5.323 -0.512 -2.665 1.00 4.14 H new ATOM 0 HD2 PHE A 42 -6.083 -2.263 1.147 1.00 52.54 H new ATOM 0 HE1 PHE A 42 -3.834 1.131 -1.614 1.00 44.44 H new ATOM 0 HE2 PHE A 42 -4.587 -0.622 2.198 1.00 71.32 H new ATOM 0 HZ PHE A 42 -3.466 1.082 0.821 1.00 65.32 H new ATOM 689 N LYS A 43 -10.170 -2.866 -2.412 1.00 75.35 N ATOM 690 CA LYS A 43 -11.153 -3.896 -2.768 1.00 65.54 C ATOM 691 C LYS A 43 -12.109 -3.384 -3.860 1.00 11.01 C ATOM 692 O LYS A 43 -12.432 -4.098 -4.816 1.00 24.02 O ATOM 693 CB LYS A 43 -11.923 -4.309 -1.504 1.00 11.43 C ATOM 694 CG LYS A 43 -12.612 -5.664 -1.599 1.00 21.14 C ATOM 695 CD LYS A 43 -13.100 -6.128 -0.229 1.00 3.45 C ATOM 696 CE LYS A 43 -13.605 -7.565 -0.252 1.00 65.44 C ATOM 697 NZ LYS A 43 -13.892 -8.067 1.117 1.00 73.44 N ATOM 0 H LYS A 43 -10.568 -2.056 -1.937 1.00 75.35 H new ATOM 0 HA LYS A 43 -10.638 -4.767 -3.173 1.00 65.54 H new ATOM 0 HB2 LYS A 43 -11.231 -4.325 -0.662 1.00 11.43 H new ATOM 0 HB3 LYS A 43 -12.673 -3.549 -1.286 1.00 11.43 H new ATOM 0 HG2 LYS A 43 -13.455 -5.599 -2.287 1.00 21.14 H new ATOM 0 HG3 LYS A 43 -11.921 -6.399 -2.011 1.00 21.14 H new ATOM 0 HD2 LYS A 43 -12.287 -6.042 0.492 1.00 3.45 H new ATOM 0 HD3 LYS A 43 -13.899 -5.470 0.112 1.00 3.45 H new ATOM 0 HE2 LYS A 43 -14.509 -7.624 -0.858 1.00 65.44 H new ATOM 0 HE3 LYS A 43 -12.861 -8.205 -0.726 1.00 65.44 H new ATOM 0 HZ1 LYS A 43 -14.234 -9.048 1.063 1.00 73.44 H new ATOM 0 HZ2 LYS A 43 -13.023 -8.034 1.688 1.00 73.44 H new ATOM 0 HZ3 LYS A 43 -14.620 -7.471 1.560 1.00 73.44 H new ATOM 711 N LYS A 44 -12.551 -2.136 -3.712 1.00 13.13 N ATOM 712 CA LYS A 44 -13.351 -1.457 -4.738 1.00 2.53 C ATOM 713 C LYS A 44 -12.713 -0.107 -5.087 1.00 32.23 C ATOM 714 O LYS A 44 -12.184 0.575 -4.209 1.00 22.53 O ATOM 715 CB LYS A 44 -14.804 -1.282 -4.268 1.00 50.34 C ATOM 716 CG LYS A 44 -15.660 -0.413 -5.190 1.00 21.31 C ATOM 717 CD LYS A 44 -17.152 -0.627 -4.960 1.00 13.24 C ATOM 718 CE LYS A 44 -17.597 -2.014 -5.414 1.00 53.24 C ATOM 719 NZ LYS A 44 -17.365 -2.228 -6.868 1.00 51.43 N ATOM 0 H LYS A 44 -12.368 -1.568 -2.885 1.00 13.13 H new ATOM 0 HA LYS A 44 -13.369 -2.072 -5.638 1.00 2.53 H new ATOM 0 HB2 LYS A 44 -15.267 -2.265 -4.181 1.00 50.34 H new ATOM 0 HB3 LYS A 44 -14.801 -0.841 -3.271 1.00 50.34 H new ATOM 0 HG2 LYS A 44 -15.416 0.637 -5.027 1.00 21.31 H new ATOM 0 HG3 LYS A 44 -15.418 -0.639 -6.228 1.00 21.31 H new ATOM 0 HD2 LYS A 44 -17.380 -0.500 -3.902 1.00 13.24 H new ATOM 0 HD3 LYS A 44 -17.717 0.132 -5.501 1.00 13.24 H new ATOM 0 HE2 LYS A 44 -17.057 -2.772 -4.846 1.00 53.24 H new ATOM 0 HE3 LYS A 44 -18.656 -2.145 -5.193 1.00 53.24 H new ATOM 0 HZ1 LYS A 44 -17.927 -3.040 -7.193 1.00 51.43 H new ATOM 0 HZ2 LYS A 44 -17.650 -1.377 -7.394 1.00 51.43 H new ATOM 0 HZ3 LYS A 44 -16.356 -2.416 -7.035 1.00 51.43 H new ATOM 733 N ASP A 45 -12.776 0.270 -6.367 1.00 71.14 N ATOM 734 CA ASP A 45 -12.005 1.406 -6.895 1.00 62.32 C ATOM 735 C ASP A 45 -10.488 1.130 -6.813 1.00 11.33 C ATOM 736 O ASP A 45 -9.739 1.895 -6.196 1.00 32.31 O ATOM 737 CB ASP A 45 -12.351 2.714 -6.157 1.00 23.04 C ATOM 738 CG ASP A 45 -13.759 3.201 -6.443 1.00 22.45 C ATOM 739 OD1 ASP A 45 -14.712 2.714 -5.804 1.00 42.23 O ATOM 740 OD2 ASP A 45 -13.919 4.098 -7.298 1.00 73.31 O ATOM 0 H ASP A 45 -13.357 -0.197 -7.064 1.00 71.14 H new ATOM 0 HA ASP A 45 -12.280 1.526 -7.943 1.00 62.32 H new ATOM 0 HB2 ASP A 45 -12.236 2.561 -5.084 1.00 23.04 H new ATOM 0 HB3 ASP A 45 -11.639 3.487 -6.446 1.00 23.04 H new ATOM 745 N PRO A 46 -10.006 0.041 -7.458 1.00 64.21 N ATOM 746 CA PRO A 46 -8.588 -0.367 -7.395 1.00 33.52 C ATOM 747 C PRO A 46 -7.664 0.490 -8.287 1.00 52.34 C ATOM 748 O PRO A 46 -6.765 -0.024 -8.956 1.00 42.41 O ATOM 749 CB PRO A 46 -8.639 -1.820 -7.890 1.00 0.33 C ATOM 750 CG PRO A 46 -9.786 -1.851 -8.843 1.00 4.32 C ATOM 751 CD PRO A 46 -10.803 -0.874 -8.305 1.00 11.31 C ATOM 0 HA PRO A 46 -8.169 -0.245 -6.396 1.00 33.52 H new ATOM 0 HB2 PRO A 46 -7.708 -2.105 -8.380 1.00 0.33 H new ATOM 0 HB3 PRO A 46 -8.790 -2.515 -7.064 1.00 0.33 H new ATOM 0 HG2 PRO A 46 -9.467 -1.569 -9.846 1.00 4.32 H new ATOM 0 HG3 PRO A 46 -10.208 -2.854 -8.913 1.00 4.32 H new ATOM 0 HD2 PRO A 46 -11.306 -0.337 -9.110 1.00 11.31 H new ATOM 0 HD3 PRO A 46 -11.577 -1.380 -7.728 1.00 11.31 H new ATOM 759 N SER A 47 -7.875 1.804 -8.276 1.00 2.34 N ATOM 760 CA SER A 47 -7.045 2.739 -9.047 1.00 1.24 C ATOM 761 C SER A 47 -6.091 3.500 -8.118 1.00 62.30 C ATOM 762 O SER A 47 -6.481 3.899 -7.021 1.00 10.25 O ATOM 763 CB SER A 47 -7.931 3.740 -9.805 1.00 4.40 C ATOM 764 OG SER A 47 -8.845 3.075 -10.668 1.00 23.03 O ATOM 0 H SER A 47 -8.618 2.252 -7.739 1.00 2.34 H new ATOM 0 HA SER A 47 -6.460 2.164 -9.765 1.00 1.24 H new ATOM 0 HB2 SER A 47 -8.482 4.353 -9.092 1.00 4.40 H new ATOM 0 HB3 SER A 47 -7.304 4.415 -10.387 1.00 4.40 H new ATOM 0 HG SER A 47 -9.396 3.738 -11.135 1.00 23.03 H new ATOM 770 N ILE A 48 -4.850 3.715 -8.567 1.00 11.32 N ATOM 771 CA ILE A 48 -3.833 4.411 -7.757 1.00 44.41 C ATOM 772 C ILE A 48 -4.372 5.732 -7.178 1.00 11.33 C ATOM 773 O ILE A 48 -4.195 6.024 -5.994 1.00 13.55 O ATOM 774 CB ILE A 48 -2.557 4.697 -8.590 1.00 2.10 C ATOM 775 CG1 ILE A 48 -1.972 3.386 -9.151 1.00 63.13 C ATOM 776 CG2 ILE A 48 -1.513 5.437 -7.752 1.00 22.01 C ATOM 777 CD1 ILE A 48 -1.561 2.383 -8.088 1.00 4.25 C ATOM 0 H ILE A 48 -4.521 3.419 -9.486 1.00 11.32 H new ATOM 0 HA ILE A 48 -3.581 3.747 -6.930 1.00 44.41 H new ATOM 0 HB ILE A 48 -2.835 5.337 -9.427 1.00 2.10 H new ATOM 0 HG12 ILE A 48 -2.710 2.923 -9.806 1.00 63.13 H new ATOM 0 HG13 ILE A 48 -1.104 3.623 -9.766 1.00 63.13 H new ATOM 0 HG21 ILE A 48 -0.627 5.626 -8.358 1.00 22.01 H new ATOM 0 HG22 ILE A 48 -1.927 6.385 -7.409 1.00 22.01 H new ATOM 0 HG23 ILE A 48 -1.240 4.828 -6.891 1.00 22.01 H new ATOM 0 HD11 ILE A 48 -1.160 1.490 -8.566 1.00 4.25 H new ATOM 0 HD12 ILE A 48 -0.798 2.825 -7.447 1.00 4.25 H new ATOM 0 HD13 ILE A 48 -2.429 2.114 -7.487 1.00 4.25 H new ATOM 789 N LYS A 49 -5.051 6.509 -8.023 1.00 51.53 N ATOM 790 CA LYS A 49 -5.686 7.766 -7.606 1.00 30.24 C ATOM 791 C LYS A 49 -6.666 7.538 -6.442 1.00 3.42 C ATOM 792 O LYS A 49 -6.668 8.287 -5.462 1.00 63.45 O ATOM 793 CB LYS A 49 -6.438 8.389 -8.796 1.00 44.31 C ATOM 794 CG LYS A 49 -7.226 9.656 -8.449 1.00 22.34 C ATOM 795 CD LYS A 49 -6.319 10.848 -8.132 1.00 23.44 C ATOM 796 CE LYS A 49 -5.778 11.526 -9.393 1.00 4.32 C ATOM 797 NZ LYS A 49 -4.887 10.639 -10.192 1.00 54.52 N ATOM 0 H LYS A 49 -5.178 6.289 -9.011 1.00 51.53 H new ATOM 0 HA LYS A 49 -4.903 8.443 -7.266 1.00 30.24 H new ATOM 0 HB2 LYS A 49 -5.720 8.625 -9.581 1.00 44.31 H new ATOM 0 HB3 LYS A 49 -7.125 7.648 -9.205 1.00 44.31 H new ATOM 0 HG2 LYS A 49 -7.878 9.913 -9.283 1.00 22.34 H new ATOM 0 HG3 LYS A 49 -7.869 9.456 -7.592 1.00 22.34 H new ATOM 0 HD2 LYS A 49 -6.875 11.577 -7.542 1.00 23.44 H new ATOM 0 HD3 LYS A 49 -5.484 10.511 -7.518 1.00 23.44 H new ATOM 0 HE2 LYS A 49 -6.614 11.847 -10.014 1.00 4.32 H new ATOM 0 HE3 LYS A 49 -5.229 12.424 -9.109 1.00 4.32 H new ATOM 0 HZ1 LYS A 49 -4.213 11.219 -10.732 1.00 54.52 H new ATOM 0 HZ2 LYS A 49 -4.365 10.005 -9.554 1.00 54.52 H new ATOM 0 HZ3 LYS A 49 -5.460 10.072 -10.849 1.00 54.52 H new ATOM 811 N SER A 50 -7.486 6.494 -6.560 1.00 73.15 N ATOM 812 CA SER A 50 -8.517 6.183 -5.558 1.00 2.13 C ATOM 813 C SER A 50 -7.899 5.699 -4.238 1.00 71.15 C ATOM 814 O SER A 50 -8.307 6.128 -3.154 1.00 32.43 O ATOM 815 CB SER A 50 -9.479 5.112 -6.095 1.00 60.52 C ATOM 816 OG SER A 50 -10.058 5.511 -7.328 1.00 20.01 O ATOM 0 H SER A 50 -7.459 5.842 -7.344 1.00 73.15 H new ATOM 0 HA SER A 50 -9.066 7.104 -5.361 1.00 2.13 H new ATOM 0 HB2 SER A 50 -8.943 4.173 -6.230 1.00 60.52 H new ATOM 0 HB3 SER A 50 -10.266 4.928 -5.364 1.00 60.52 H new ATOM 0 HG SER A 50 -10.397 4.722 -7.801 1.00 20.01 H new ATOM 822 N SER A 51 -6.924 4.799 -4.337 1.00 43.35 N ATOM 823 CA SER A 51 -6.239 4.255 -3.155 1.00 44.02 C ATOM 824 C SER A 51 -5.494 5.355 -2.385 1.00 73.14 C ATOM 825 O SER A 51 -5.704 5.536 -1.184 1.00 33.40 O ATOM 826 CB SER A 51 -5.260 3.145 -3.561 1.00 51.32 C ATOM 827 OG SER A 51 -5.923 2.106 -4.266 1.00 35.34 O ATOM 0 H SER A 51 -6.586 4.427 -5.224 1.00 43.35 H new ATOM 0 HA SER A 51 -7.000 3.834 -2.498 1.00 44.02 H new ATOM 0 HB2 SER A 51 -4.470 3.564 -4.184 1.00 51.32 H new ATOM 0 HB3 SER A 51 -4.781 2.736 -2.671 1.00 51.32 H new ATOM 0 HG SER A 51 -6.628 1.726 -3.702 1.00 35.34 H new ATOM 833 N LEU A 52 -4.637 6.100 -3.085 1.00 60.14 N ATOM 834 CA LEU A 52 -3.898 7.210 -2.466 1.00 71.33 C ATOM 835 C LEU A 52 -4.856 8.233 -1.834 1.00 34.14 C ATOM 836 O LEU A 52 -4.562 8.796 -0.779 1.00 60.21 O ATOM 837 CB LEU A 52 -3.000 7.910 -3.497 1.00 50.42 C ATOM 838 CG LEU A 52 -1.852 7.061 -4.070 1.00 5.02 C ATOM 839 CD1 LEU A 52 -1.038 7.867 -5.080 1.00 23.44 C ATOM 840 CD2 LEU A 52 -0.954 6.533 -2.949 1.00 13.20 C ATOM 0 H LEU A 52 -4.436 5.959 -4.075 1.00 60.14 H new ATOM 0 HA LEU A 52 -3.273 6.787 -1.679 1.00 71.33 H new ATOM 0 HB2 LEU A 52 -3.624 8.249 -4.324 1.00 50.42 H new ATOM 0 HB3 LEU A 52 -2.573 8.800 -3.034 1.00 50.42 H new ATOM 0 HG LEU A 52 -2.287 6.206 -4.587 1.00 5.02 H new ATOM 0 HD11 LEU A 52 -0.231 7.249 -5.473 1.00 23.44 H new ATOM 0 HD12 LEU A 52 -1.684 8.184 -5.898 1.00 23.44 H new ATOM 0 HD13 LEU A 52 -0.617 8.745 -4.590 1.00 23.44 H new ATOM 0 HD21 LEU A 52 -0.150 5.936 -3.378 1.00 13.20 H new ATOM 0 HD22 LEU A 52 -0.529 7.372 -2.398 1.00 13.20 H new ATOM 0 HD23 LEU A 52 -1.543 5.915 -2.271 1.00 13.20 H new ATOM 852 N LYS A 53 -6.001 8.453 -2.482 1.00 54.05 N ATOM 853 CA LYS A 53 -7.030 9.377 -1.983 1.00 42.44 C ATOM 854 C LYS A 53 -7.468 9.014 -0.554 1.00 32.42 C ATOM 855 O LYS A 53 -7.611 9.885 0.305 1.00 11.30 O ATOM 856 CB LYS A 53 -8.238 9.353 -2.935 1.00 70.15 C ATOM 857 CG LYS A 53 -9.316 10.391 -2.629 1.00 71.03 C ATOM 858 CD LYS A 53 -10.463 10.304 -3.637 1.00 72.23 C ATOM 859 CE LYS A 53 -11.529 11.367 -3.395 1.00 60.12 C ATOM 860 NZ LYS A 53 -12.647 11.248 -4.367 1.00 41.41 N ATOM 0 H LYS A 53 -6.244 8.000 -3.363 1.00 54.05 H new ATOM 0 HA LYS A 53 -6.608 10.381 -1.950 1.00 42.44 H new ATOM 0 HB2 LYS A 53 -7.883 9.508 -3.954 1.00 70.15 H new ATOM 0 HB3 LYS A 53 -8.689 8.361 -2.902 1.00 70.15 H new ATOM 0 HG2 LYS A 53 -9.700 10.235 -1.621 1.00 71.03 H new ATOM 0 HG3 LYS A 53 -8.881 11.390 -2.653 1.00 71.03 H new ATOM 0 HD2 LYS A 53 -10.066 10.414 -4.646 1.00 72.23 H new ATOM 0 HD3 LYS A 53 -10.919 9.316 -3.580 1.00 72.23 H new ATOM 0 HE2 LYS A 53 -11.916 11.272 -2.380 1.00 60.12 H new ATOM 0 HE3 LYS A 53 -11.081 12.358 -3.474 1.00 60.12 H new ATOM 0 HZ1 LYS A 53 -13.354 11.986 -4.174 1.00 41.41 H new ATOM 0 HZ2 LYS A 53 -12.281 11.364 -5.333 1.00 41.41 H new ATOM 0 HZ3 LYS A 53 -13.089 10.311 -4.274 1.00 41.41 H new ATOM 874 N PHE A 54 -7.666 7.720 -0.307 1.00 31.20 N ATOM 875 CA PHE A 54 -8.058 7.235 1.020 1.00 41.02 C ATOM 876 C PHE A 54 -6.859 7.243 1.987 1.00 13.00 C ATOM 877 O PHE A 54 -6.987 7.634 3.151 1.00 2.32 O ATOM 878 CB PHE A 54 -8.642 5.818 0.911 1.00 12.13 C ATOM 879 CG PHE A 54 -9.269 5.307 2.189 1.00 2.45 C ATOM 880 CD1 PHE A 54 -10.599 5.576 2.477 1.00 11.55 C ATOM 881 CD2 PHE A 54 -8.531 4.557 3.098 1.00 55.42 C ATOM 882 CE1 PHE A 54 -11.181 5.106 3.638 1.00 53.34 C ATOM 883 CE2 PHE A 54 -9.112 4.086 4.261 1.00 63.55 C ATOM 884 CZ PHE A 54 -10.436 4.363 4.532 1.00 53.05 C ATOM 0 H PHE A 54 -7.562 6.986 -1.008 1.00 31.20 H new ATOM 0 HA PHE A 54 -8.819 7.906 1.418 1.00 41.02 H new ATOM 0 HB2 PHE A 54 -9.393 5.806 0.121 1.00 12.13 H new ATOM 0 HB3 PHE A 54 -7.850 5.133 0.609 1.00 12.13 H new ATOM 0 HD1 PHE A 54 -11.187 6.160 1.785 1.00 11.55 H new ATOM 0 HD2 PHE A 54 -7.493 4.340 2.893 1.00 55.42 H new ATOM 0 HE1 PHE A 54 -12.219 5.320 3.847 1.00 53.34 H new ATOM 0 HE2 PHE A 54 -8.529 3.501 4.957 1.00 63.55 H new ATOM 0 HZ PHE A 54 -10.889 3.999 5.442 1.00 53.05 H new ATOM 894 N LEU A 55 -5.693 6.823 1.491 1.00 61.44 N ATOM 895 CA LEU A 55 -4.470 6.763 2.309 1.00 71.05 C ATOM 896 C LEU A 55 -4.076 8.146 2.863 1.00 54.21 C ATOM 897 O LEU A 55 -3.654 8.267 4.013 1.00 43.50 O ATOM 898 CB LEU A 55 -3.310 6.167 1.497 1.00 22.24 C ATOM 899 CG LEU A 55 -3.514 4.716 1.023 1.00 20.23 C ATOM 900 CD1 LEU A 55 -2.302 4.231 0.232 1.00 20.40 C ATOM 901 CD2 LEU A 55 -3.796 3.796 2.210 1.00 65.24 C ATOM 0 H LEU A 55 -5.565 6.518 0.526 1.00 61.44 H new ATOM 0 HA LEU A 55 -4.682 6.116 3.161 1.00 71.05 H new ATOM 0 HB2 LEU A 55 -3.139 6.796 0.624 1.00 22.24 H new ATOM 0 HB3 LEU A 55 -2.405 6.210 2.103 1.00 22.24 H new ATOM 0 HG LEU A 55 -4.380 4.690 0.362 1.00 20.23 H new ATOM 0 HD11 LEU A 55 -2.467 3.204 -0.093 1.00 20.40 H new ATOM 0 HD12 LEU A 55 -2.158 4.869 -0.640 1.00 20.40 H new ATOM 0 HD13 LEU A 55 -1.415 4.273 0.864 1.00 20.40 H new ATOM 0 HD21 LEU A 55 -3.937 2.776 1.854 1.00 65.24 H new ATOM 0 HD22 LEU A 55 -2.954 3.826 2.902 1.00 65.24 H new ATOM 0 HD23 LEU A 55 -4.698 4.130 2.722 1.00 65.24 H new ATOM 913 N ARG A 56 -4.229 9.193 2.052 1.00 5.31 N ATOM 914 CA ARG A 56 -3.907 10.562 2.493 1.00 52.05 C ATOM 915 C ARG A 56 -5.064 11.191 3.291 1.00 40.43 C ATOM 916 O ARG A 56 -4.994 12.352 3.696 1.00 2.41 O ATOM 917 CB ARG A 56 -3.539 11.449 1.291 1.00 23.42 C ATOM 918 CG ARG A 56 -4.649 11.597 0.257 1.00 63.23 C ATOM 919 CD ARG A 56 -4.188 12.399 -0.958 1.00 30.20 C ATOM 920 NE ARG A 56 -5.173 12.364 -2.039 1.00 43.31 N ATOM 921 CZ ARG A 56 -5.844 13.401 -2.462 1.00 5.02 C ATOM 922 NH1 ARG A 56 -5.642 14.573 -1.952 1.00 32.35 N ATOM 923 NH2 ARG A 56 -6.704 13.262 -3.418 1.00 22.13 N ATOM 0 H ARG A 56 -4.571 9.127 1.093 1.00 5.31 H new ATOM 0 HA ARG A 56 -3.045 10.496 3.157 1.00 52.05 H new ATOM 0 HB2 ARG A 56 -3.264 12.439 1.656 1.00 23.42 H new ATOM 0 HB3 ARG A 56 -2.658 11.032 0.803 1.00 23.42 H new ATOM 0 HG2 ARG A 56 -4.981 10.610 -0.064 1.00 63.23 H new ATOM 0 HG3 ARG A 56 -5.508 12.089 0.713 1.00 63.23 H new ATOM 0 HD2 ARG A 56 -4.008 13.433 -0.664 1.00 30.20 H new ATOM 0 HD3 ARG A 56 -3.239 12.000 -1.318 1.00 30.20 H new ATOM 0 HE ARG A 56 -5.348 11.468 -2.494 1.00 43.31 H new ATOM 0 HH11 ARG A 56 -4.952 14.695 -1.211 1.00 32.35 H new ATOM 0 HH12 ARG A 56 -6.173 15.375 -2.291 1.00 32.35 H new ATOM 0 HH21 ARG A 56 -6.856 12.345 -3.838 1.00 22.13 H new ATOM 0 HH22 ARG A 56 -7.231 14.069 -3.752 1.00 22.13 H new ATOM 937 N LYS A 57 -6.126 10.417 3.514 1.00 24.13 N ATOM 938 CA LYS A 57 -7.279 10.868 4.302 1.00 40.10 C ATOM 939 C LYS A 57 -7.419 10.059 5.613 1.00 22.21 C ATOM 940 O LYS A 57 -8.073 10.496 6.563 1.00 62.02 O ATOM 941 CB LYS A 57 -8.548 10.739 3.444 1.00 13.30 C ATOM 942 CG LYS A 57 -9.801 11.311 4.092 1.00 1.24 C ATOM 943 CD LYS A 57 -10.984 11.307 3.126 1.00 4.24 C ATOM 944 CE LYS A 57 -12.243 11.891 3.760 1.00 54.10 C ATOM 945 NZ LYS A 57 -12.044 13.294 4.215 1.00 35.23 N ATOM 0 H LYS A 57 -6.214 9.465 3.157 1.00 24.13 H new ATOM 0 HA LYS A 57 -7.130 11.910 4.584 1.00 40.10 H new ATOM 0 HB2 LYS A 57 -8.382 11.244 2.492 1.00 13.30 H new ATOM 0 HB3 LYS A 57 -8.717 9.685 3.221 1.00 13.30 H new ATOM 0 HG2 LYS A 57 -10.052 10.728 4.978 1.00 1.24 H new ATOM 0 HG3 LYS A 57 -9.606 12.330 4.426 1.00 1.24 H new ATOM 0 HD2 LYS A 57 -10.727 11.881 2.236 1.00 4.24 H new ATOM 0 HD3 LYS A 57 -11.182 10.286 2.800 1.00 4.24 H new ATOM 0 HE2 LYS A 57 -13.060 11.857 3.039 1.00 54.10 H new ATOM 0 HE3 LYS A 57 -12.540 11.274 4.608 1.00 54.10 H new ATOM 0 HZ1 LYS A 57 -12.966 13.722 4.433 1.00 35.23 H new ATOM 0 HZ2 LYS A 57 -11.448 13.301 5.068 1.00 35.23 H new ATOM 0 HZ3 LYS A 57 -11.578 13.840 3.463 1.00 35.23 H new ATOM 959 N THR A 58 -6.793 8.880 5.657 1.00 4.23 N ATOM 960 CA THR A 58 -6.831 8.004 6.845 1.00 25.45 C ATOM 961 C THR A 58 -5.417 7.781 7.419 1.00 34.11 C ATOM 962 O THR A 58 -4.446 7.696 6.668 1.00 1.05 O ATOM 963 CB THR A 58 -7.459 6.628 6.497 1.00 62.01 C ATOM 964 OG1 THR A 58 -8.773 6.811 5.948 1.00 34.11 O ATOM 965 CG2 THR A 58 -7.550 5.724 7.722 1.00 44.41 C ATOM 0 H THR A 58 -6.249 8.503 4.881 1.00 4.23 H new ATOM 0 HA THR A 58 -7.445 8.504 7.594 1.00 25.45 H new ATOM 0 HB THR A 58 -6.811 6.149 5.763 1.00 62.01 H new ATOM 0 HG1 THR A 58 -9.040 6.003 5.463 1.00 34.11 H new ATOM 0 HG21 THR A 58 -7.995 4.770 7.438 1.00 44.41 H new ATOM 0 HG22 THR A 58 -6.551 5.553 8.123 1.00 44.41 H new ATOM 0 HG23 THR A 58 -8.169 6.201 8.481 1.00 44.41 H new ATOM 973 N ASP A 59 -5.310 7.687 8.747 1.00 43.54 N ATOM 974 CA ASP A 59 -4.010 7.509 9.414 1.00 30.31 C ATOM 975 C ASP A 59 -3.530 6.046 9.389 1.00 42.31 C ATOM 976 O ASP A 59 -2.652 5.689 8.605 1.00 74.31 O ATOM 977 CB ASP A 59 -4.074 8.003 10.864 1.00 1.51 C ATOM 978 CG ASP A 59 -4.243 9.507 10.964 1.00 25.24 C ATOM 979 OD1 ASP A 59 -5.392 9.985 10.918 1.00 3.13 O ATOM 980 OD2 ASP A 59 -3.227 10.217 11.095 1.00 64.23 O ATOM 0 H ASP A 59 -6.105 7.731 9.384 1.00 43.54 H new ATOM 0 HA ASP A 59 -3.289 8.105 8.854 1.00 30.31 H new ATOM 0 HB2 ASP A 59 -4.904 7.514 11.374 1.00 1.51 H new ATOM 0 HB3 ASP A 59 -3.162 7.709 11.384 1.00 1.51 H new ATOM 985 N TRP A 60 -4.124 5.202 10.241 1.00 51.00 N ATOM 986 CA TRP A 60 -3.645 3.821 10.441 1.00 32.41 C ATOM 987 C TRP A 60 -3.405 3.078 9.114 1.00 61.43 C ATOM 988 O TRP A 60 -2.400 2.386 8.957 1.00 53.10 O ATOM 989 CB TRP A 60 -4.627 3.030 11.318 1.00 62.32 C ATOM 990 CG TRP A 60 -5.954 2.769 10.668 1.00 33.51 C ATOM 991 CD1 TRP A 60 -7.024 3.612 10.618 1.00 33.11 C ATOM 992 CD2 TRP A 60 -6.348 1.580 9.972 1.00 73.20 C ATOM 993 NE1 TRP A 60 -8.057 3.023 9.934 1.00 53.14 N ATOM 994 CE2 TRP A 60 -7.667 1.775 9.529 1.00 10.42 C ATOM 995 CE3 TRP A 60 -5.708 0.369 9.681 1.00 55.35 C ATOM 996 CZ2 TRP A 60 -8.361 0.805 8.811 1.00 74.31 C ATOM 997 CZ3 TRP A 60 -6.400 -0.592 8.968 1.00 64.32 C ATOM 998 CH2 TRP A 60 -7.712 -0.369 8.541 1.00 20.13 C ATOM 0 H TRP A 60 -4.938 5.447 10.805 1.00 51.00 H new ATOM 0 HA TRP A 60 -2.683 3.894 10.949 1.00 32.41 H new ATOM 0 HB2 TRP A 60 -4.172 2.077 11.586 1.00 62.32 H new ATOM 0 HB3 TRP A 60 -4.790 3.577 12.246 1.00 62.32 H new ATOM 0 HD1 TRP A 60 -7.054 4.600 11.053 1.00 33.11 H new ATOM 0 HE1 TRP A 60 -8.968 3.446 9.756 1.00 53.14 H new ATOM 0 HE3 TRP A 60 -4.694 0.189 10.007 1.00 55.35 H new ATOM 0 HZ2 TRP A 60 -9.375 0.973 8.479 1.00 74.31 H new ATOM 0 HZ3 TRP A 60 -5.919 -1.531 8.737 1.00 64.32 H new ATOM 0 HH2 TRP A 60 -8.225 -1.140 7.986 1.00 20.13 H new ATOM 1009 N ALA A 61 -4.329 3.230 8.164 1.00 15.42 N ATOM 1010 CA ALA A 61 -4.211 2.581 6.852 1.00 24.25 C ATOM 1011 C ALA A 61 -2.882 2.933 6.164 1.00 74.31 C ATOM 1012 O ALA A 61 -2.235 2.076 5.565 1.00 11.13 O ATOM 1013 CB ALA A 61 -5.387 2.979 5.970 1.00 25.24 C ATOM 0 H ALA A 61 -5.169 3.797 8.276 1.00 15.42 H new ATOM 0 HA ALA A 61 -4.225 1.502 7.006 1.00 24.25 H new ATOM 0 HB1 ALA A 61 -5.293 2.494 4.998 1.00 25.24 H new ATOM 0 HB2 ALA A 61 -6.318 2.667 6.443 1.00 25.24 H new ATOM 0 HB3 ALA A 61 -5.392 4.061 5.837 1.00 25.24 H new ATOM 1019 N ARG A 62 -2.478 4.194 6.284 1.00 53.42 N ATOM 1020 CA ARG A 62 -1.240 4.686 5.673 1.00 11.23 C ATOM 1021 C ARG A 62 -0.015 3.954 6.239 1.00 24.30 C ATOM 1022 O ARG A 62 0.780 3.375 5.493 1.00 10.04 O ATOM 1023 CB ARG A 62 -1.119 6.192 5.926 1.00 35.13 C ATOM 1024 CG ARG A 62 -0.010 6.890 5.141 1.00 73.42 C ATOM 1025 CD ARG A 62 0.009 8.385 5.452 1.00 33.30 C ATOM 1026 NE ARG A 62 -1.338 8.958 5.399 1.00 21.04 N ATOM 1027 CZ ARG A 62 -1.656 10.148 5.824 1.00 61.44 C ATOM 1028 NH1 ARG A 62 -0.754 10.960 6.268 1.00 11.24 N ATOM 1029 NH2 ARG A 62 -2.891 10.525 5.791 1.00 41.51 N ATOM 0 H ARG A 62 -2.994 4.903 6.804 1.00 53.42 H new ATOM 0 HA ARG A 62 -1.276 4.494 4.601 1.00 11.23 H new ATOM 0 HB2 ARG A 62 -2.070 6.664 5.680 1.00 35.13 H new ATOM 0 HB3 ARG A 62 -0.948 6.354 6.990 1.00 35.13 H new ATOM 0 HG2 ARG A 62 0.954 6.448 5.392 1.00 73.42 H new ATOM 0 HG3 ARG A 62 -0.162 6.737 4.072 1.00 73.42 H new ATOM 0 HD2 ARG A 62 0.437 8.547 6.441 1.00 33.30 H new ATOM 0 HD3 ARG A 62 0.653 8.899 4.738 1.00 33.30 H new ATOM 0 HE ARG A 62 -2.081 8.384 5.001 1.00 21.04 H new ATOM 0 HH11 ARG A 62 0.225 10.673 6.290 1.00 11.24 H new ATOM 0 HH12 ARG A 62 -1.021 11.888 6.597 1.00 11.24 H new ATOM 0 HH21 ARG A 62 -3.608 9.893 5.434 1.00 41.51 H new ATOM 0 HH22 ARG A 62 -3.149 11.455 6.122 1.00 41.51 H new ATOM 1043 N GLU A 63 0.124 3.974 7.568 1.00 42.42 N ATOM 1044 CA GLU A 63 1.227 3.275 8.239 1.00 21.21 C ATOM 1045 C GLU A 63 1.197 1.766 7.954 1.00 71.42 C ATOM 1046 O GLU A 63 2.245 1.138 7.819 1.00 73.42 O ATOM 1047 CB GLU A 63 1.208 3.521 9.758 1.00 15.32 C ATOM 1048 CG GLU A 63 1.600 4.939 10.172 1.00 54.41 C ATOM 1049 CD GLU A 63 0.568 5.982 9.780 1.00 71.14 C ATOM 1050 OE1 GLU A 63 -0.441 6.119 10.502 1.00 14.02 O ATOM 1051 OE2 GLU A 63 0.763 6.672 8.758 1.00 23.03 O ATOM 0 H GLU A 63 -0.510 4.464 8.199 1.00 42.42 H new ATOM 0 HA GLU A 63 2.152 3.684 7.832 1.00 21.21 H new ATOM 0 HB2 GLU A 63 0.208 3.308 10.136 1.00 15.32 H new ATOM 0 HB3 GLU A 63 1.886 2.815 10.237 1.00 15.32 H new ATOM 0 HG2 GLU A 63 1.745 4.969 11.252 1.00 54.41 H new ATOM 0 HG3 GLU A 63 2.556 5.193 9.715 1.00 54.41 H new ATOM 1058 N ARG A 64 0.000 1.186 7.860 1.00 74.42 N ATOM 1059 CA ARG A 64 -0.135 -0.243 7.541 1.00 31.53 C ATOM 1060 C ARG A 64 0.465 -0.570 6.163 1.00 54.25 C ATOM 1061 O ARG A 64 1.208 -1.543 6.017 1.00 14.02 O ATOM 1062 CB ARG A 64 -1.607 -0.678 7.586 1.00 14.11 C ATOM 1063 CG ARG A 64 -2.221 -0.662 8.985 1.00 64.43 C ATOM 1064 CD ARG A 64 -1.502 -1.611 9.942 1.00 61.11 C ATOM 1065 NE ARG A 64 -2.123 -1.632 11.265 1.00 11.23 N ATOM 1066 CZ ARG A 64 -1.544 -2.074 12.352 1.00 13.24 C ATOM 1067 NH1 ARG A 64 -0.317 -2.494 12.329 1.00 73.33 N ATOM 1068 NH2 ARG A 64 -2.195 -2.077 13.468 1.00 4.54 N ATOM 0 H ARG A 64 -0.885 1.675 7.998 1.00 74.42 H new ATOM 0 HA ARG A 64 0.420 -0.797 8.298 1.00 31.53 H new ATOM 0 HB2 ARG A 64 -2.188 -0.022 6.938 1.00 14.11 H new ATOM 0 HB3 ARG A 64 -1.690 -1.685 7.176 1.00 14.11 H new ATOM 0 HG2 ARG A 64 -2.184 0.351 9.385 1.00 64.43 H new ATOM 0 HG3 ARG A 64 -3.273 -0.941 8.921 1.00 64.43 H new ATOM 0 HD2 ARG A 64 -1.506 -2.618 9.524 1.00 61.11 H new ATOM 0 HD3 ARG A 64 -0.459 -1.309 10.036 1.00 61.11 H new ATOM 0 HE ARG A 64 -3.076 -1.277 11.347 1.00 11.23 H new ATOM 0 HH11 ARG A 64 0.210 -2.482 11.456 1.00 73.33 H new ATOM 0 HH12 ARG A 64 0.121 -2.836 13.184 1.00 73.33 H new ATOM 0 HH21 ARG A 64 -3.156 -1.736 13.499 1.00 4.54 H new ATOM 0 HH22 ARG A 64 -1.748 -2.421 14.318 1.00 4.54 H new ATOM 1082 N VAL A 65 0.145 0.251 5.161 1.00 24.35 N ATOM 1083 CA VAL A 65 0.659 0.058 3.796 1.00 11.13 C ATOM 1084 C VAL A 65 2.200 0.084 3.758 1.00 73.21 C ATOM 1085 O VAL A 65 2.842 -0.874 3.313 1.00 24.51 O ATOM 1086 CB VAL A 65 0.096 1.137 2.831 1.00 51.13 C ATOM 1087 CG1 VAL A 65 0.708 1.009 1.436 1.00 75.24 C ATOM 1088 CG2 VAL A 65 -1.427 1.047 2.759 1.00 53.04 C ATOM 0 H VAL A 65 -0.469 1.059 5.266 1.00 24.35 H new ATOM 0 HA VAL A 65 0.323 -0.925 3.467 1.00 11.13 H new ATOM 0 HB VAL A 65 0.370 2.115 3.226 1.00 51.13 H new ATOM 0 HG11 VAL A 65 0.293 1.778 0.785 1.00 75.24 H new ATOM 0 HG12 VAL A 65 1.789 1.132 1.500 1.00 75.24 H new ATOM 0 HG13 VAL A 65 0.479 0.025 1.027 1.00 75.24 H new ATOM 0 HG21 VAL A 65 -1.805 1.810 2.079 1.00 53.04 H new ATOM 0 HG22 VAL A 65 -1.716 0.061 2.395 1.00 53.04 H new ATOM 0 HG23 VAL A 65 -1.848 1.206 3.752 1.00 53.04 H new ATOM 1098 N GLU A 66 2.791 1.179 4.235 1.00 52.25 N ATOM 1099 CA GLU A 66 4.252 1.314 4.260 1.00 15.24 C ATOM 1100 C GLU A 66 4.907 0.261 5.173 1.00 54.01 C ATOM 1101 O GLU A 66 6.018 -0.200 4.905 1.00 43.52 O ATOM 1102 CB GLU A 66 4.656 2.736 4.680 1.00 24.42 C ATOM 1103 CG GLU A 66 4.046 3.199 5.997 1.00 72.10 C ATOM 1104 CD GLU A 66 4.387 4.646 6.320 1.00 61.42 C ATOM 1105 OE1 GLU A 66 3.755 5.559 5.745 1.00 54.41 O ATOM 1106 OE2 GLU A 66 5.298 4.882 7.140 1.00 0.21 O ATOM 0 H GLU A 66 2.286 1.983 4.608 1.00 52.25 H new ATOM 0 HA GLU A 66 4.618 1.136 3.249 1.00 15.24 H new ATOM 0 HB2 GLU A 66 5.742 2.784 4.760 1.00 24.42 H new ATOM 0 HB3 GLU A 66 4.363 3.431 3.893 1.00 24.42 H new ATOM 0 HG2 GLU A 66 2.963 3.086 5.952 1.00 72.10 H new ATOM 0 HG3 GLU A 66 4.400 2.557 6.803 1.00 72.10 H new ATOM 1113 N ASN A 67 4.205 -0.131 6.237 1.00 52.45 N ATOM 1114 CA ASN A 67 4.677 -1.199 7.129 1.00 24.12 C ATOM 1115 C ASN A 67 4.847 -2.520 6.357 1.00 74.00 C ATOM 1116 O ASN A 67 5.830 -3.243 6.544 1.00 52.13 O ATOM 1117 CB ASN A 67 3.695 -1.395 8.293 1.00 73.43 C ATOM 1118 CG ASN A 67 4.189 -2.386 9.331 1.00 70.41 C ATOM 1119 OD1 ASN A 67 5.383 -2.517 9.570 1.00 24.31 O ATOM 1120 ND2 ASN A 67 3.272 -3.092 9.955 1.00 52.45 N ATOM 0 H ASN A 67 3.307 0.273 6.505 1.00 52.45 H new ATOM 0 HA ASN A 67 5.647 -0.904 7.529 1.00 24.12 H new ATOM 0 HB2 ASN A 67 3.515 -0.434 8.774 1.00 73.43 H new ATOM 0 HB3 ASN A 67 2.738 -1.738 7.899 1.00 73.43 H new ATOM 0 HD21 ASN A 67 3.547 -3.774 10.662 1.00 52.45 H new ATOM 0 HD22 ASN A 67 2.286 -2.958 9.732 1.00 52.45 H new ATOM 1127 N ILE A 68 3.882 -2.825 5.486 1.00 74.41 N ATOM 1128 CA ILE A 68 3.963 -4.011 4.624 1.00 51.21 C ATOM 1129 C ILE A 68 5.175 -3.922 3.680 1.00 15.34 C ATOM 1130 O ILE A 68 5.838 -4.925 3.400 1.00 20.20 O ATOM 1131 CB ILE A 68 2.666 -4.197 3.787 1.00 62.12 C ATOM 1132 CG1 ILE A 68 1.450 -4.380 4.715 1.00 44.42 C ATOM 1133 CG2 ILE A 68 2.801 -5.387 2.832 1.00 71.41 C ATOM 1134 CD1 ILE A 68 0.125 -4.460 3.984 1.00 35.13 C ATOM 0 H ILE A 68 3.036 -2.269 5.358 1.00 74.41 H new ATOM 0 HA ILE A 68 4.081 -4.875 5.278 1.00 51.21 H new ATOM 0 HB ILE A 68 2.512 -3.299 3.189 1.00 62.12 H new ATOM 0 HG12 ILE A 68 1.586 -5.289 5.301 1.00 44.42 H new ATOM 0 HG13 ILE A 68 1.415 -3.549 5.420 1.00 44.42 H new ATOM 0 HG21 ILE A 68 1.882 -5.498 2.257 1.00 71.41 H new ATOM 0 HG22 ILE A 68 3.636 -5.215 2.152 1.00 71.41 H new ATOM 0 HG23 ILE A 68 2.982 -6.296 3.406 1.00 71.41 H new ATOM 0 HD11 ILE A 68 -0.682 -4.589 4.706 1.00 35.13 H new ATOM 0 HD12 ILE A 68 -0.036 -3.541 3.420 1.00 35.13 H new ATOM 0 HD13 ILE A 68 0.138 -5.308 3.299 1.00 35.13 H new ATOM 1146 N TYR A 69 5.470 -2.716 3.203 1.00 61.25 N ATOM 1147 CA TYR A 69 6.640 -2.495 2.352 1.00 45.52 C ATOM 1148 C TYR A 69 7.947 -2.750 3.127 1.00 43.32 C ATOM 1149 O TYR A 69 8.883 -3.346 2.598 1.00 53.21 O ATOM 1150 CB TYR A 69 6.629 -1.073 1.777 1.00 42.20 C ATOM 1151 CG TYR A 69 7.721 -0.829 0.748 1.00 20.31 C ATOM 1152 CD1 TYR A 69 7.699 -1.487 -0.478 1.00 12.45 C ATOM 1153 CD2 TYR A 69 8.778 0.043 1.005 1.00 14.55 C ATOM 1154 CE1 TYR A 69 8.689 -1.282 -1.417 1.00 11.53 C ATOM 1155 CE2 TYR A 69 9.774 0.249 0.069 1.00 52.21 C ATOM 1156 CZ TYR A 69 9.724 -0.413 -1.138 1.00 43.32 C ATOM 1157 OH TYR A 69 10.725 -0.224 -2.066 1.00 20.51 O ATOM 0 H TYR A 69 4.919 -1.878 3.389 1.00 61.25 H new ATOM 0 HA TYR A 69 6.592 -3.205 1.527 1.00 45.52 H new ATOM 0 HB2 TYR A 69 5.659 -0.882 1.318 1.00 42.20 H new ATOM 0 HB3 TYR A 69 6.742 -0.359 2.592 1.00 42.20 H new ATOM 0 HD1 TYR A 69 6.892 -2.171 -0.699 1.00 12.45 H new ATOM 0 HD2 TYR A 69 8.819 0.565 1.949 1.00 14.55 H new ATOM 0 HE1 TYR A 69 8.654 -1.799 -2.365 1.00 11.53 H new ATOM 0 HE2 TYR A 69 10.588 0.926 0.283 1.00 52.21 H new ATOM 0 HH TYR A 69 11.377 0.419 -1.717 1.00 20.51 H new ATOM 1167 N LEU A 70 8.001 -2.297 4.384 1.00 10.52 N ATOM 1168 CA LEU A 70 9.143 -2.589 5.265 1.00 32.34 C ATOM 1169 C LEU A 70 9.290 -4.108 5.460 1.00 22.33 C ATOM 1170 O LEU A 70 10.393 -4.658 5.432 1.00 1.43 O ATOM 1171 CB LEU A 70 8.957 -1.907 6.631 1.00 51.44 C ATOM 1172 CG LEU A 70 8.789 -0.378 6.596 1.00 35.22 C ATOM 1173 CD1 LEU A 70 8.553 0.167 8.004 1.00 71.52 C ATOM 1174 CD2 LEU A 70 10.008 0.285 5.955 1.00 52.33 C ATOM 0 H LEU A 70 7.272 -1.729 4.815 1.00 10.52 H new ATOM 0 HA LEU A 70 10.046 -2.200 4.796 1.00 32.34 H new ATOM 0 HB2 LEU A 70 8.082 -2.339 7.116 1.00 51.44 H new ATOM 0 HB3 LEU A 70 9.818 -2.145 7.256 1.00 51.44 H new ATOM 0 HG LEU A 70 7.916 -0.142 5.987 1.00 35.22 H new ATOM 0 HD11 LEU A 70 8.436 1.250 7.960 1.00 71.52 H new ATOM 0 HD12 LEU A 70 7.649 -0.279 8.420 1.00 71.52 H new ATOM 0 HD13 LEU A 70 9.405 -0.081 8.638 1.00 71.52 H new ATOM 0 HD21 LEU A 70 9.869 1.366 5.940 1.00 52.33 H new ATOM 0 HD22 LEU A 70 10.900 0.042 6.532 1.00 52.33 H new ATOM 0 HD23 LEU A 70 10.126 -0.080 4.935 1.00 52.33 H new ATOM 1186 N LYS A 71 8.147 -4.772 5.635 1.00 11.02 N ATOM 1187 CA LYS A 71 8.083 -6.234 5.751 1.00 12.02 C ATOM 1188 C LYS A 71 8.658 -6.909 4.491 1.00 1.10 C ATOM 1189 O LYS A 71 9.298 -7.958 4.568 1.00 15.50 O ATOM 1190 CB LYS A 71 6.616 -6.653 5.998 1.00 14.23 C ATOM 1191 CG LYS A 71 6.372 -8.155 6.180 1.00 73.54 C ATOM 1192 CD LYS A 71 6.232 -8.891 4.848 1.00 51.41 C ATOM 1193 CE LYS A 71 5.834 -10.346 5.045 1.00 1.35 C ATOM 1194 NZ LYS A 71 4.459 -10.477 5.602 1.00 75.43 N ATOM 0 H LYS A 71 7.238 -4.314 5.701 1.00 11.02 H new ATOM 0 HA LYS A 71 8.692 -6.562 6.594 1.00 12.02 H new ATOM 0 HB2 LYS A 71 6.255 -6.135 6.887 1.00 14.23 H new ATOM 0 HB3 LYS A 71 6.013 -6.305 5.159 1.00 14.23 H new ATOM 0 HG2 LYS A 71 7.197 -8.588 6.746 1.00 73.54 H new ATOM 0 HG3 LYS A 71 5.468 -8.304 6.770 1.00 73.54 H new ATOM 0 HD2 LYS A 71 5.485 -8.390 4.233 1.00 51.41 H new ATOM 0 HD3 LYS A 71 7.176 -8.843 4.305 1.00 51.41 H new ATOM 0 HE2 LYS A 71 5.890 -10.870 4.091 1.00 1.35 H new ATOM 0 HE3 LYS A 71 6.545 -10.829 5.716 1.00 1.35 H new ATOM 0 HZ1 LYS A 71 4.136 -11.460 5.501 1.00 75.43 H new ATOM 0 HZ2 LYS A 71 4.466 -10.216 6.609 1.00 75.43 H new ATOM 0 HZ3 LYS A 71 3.814 -9.846 5.085 1.00 75.43 H new ATOM 1208 N LEU A 72 8.425 -6.297 3.334 1.00 75.44 N ATOM 1209 CA LEU A 72 8.960 -6.808 2.067 1.00 15.32 C ATOM 1210 C LEU A 72 10.466 -6.508 1.932 1.00 1.12 C ATOM 1211 O LEU A 72 11.246 -7.370 1.525 1.00 54.41 O ATOM 1212 CB LEU A 72 8.186 -6.200 0.885 1.00 41.43 C ATOM 1213 CG LEU A 72 8.614 -6.683 -0.515 1.00 21.21 C ATOM 1214 CD1 LEU A 72 8.429 -8.194 -0.653 1.00 43.02 C ATOM 1215 CD2 LEU A 72 7.837 -5.940 -1.602 1.00 12.45 C ATOM 0 H LEU A 72 7.870 -5.446 3.243 1.00 75.44 H new ATOM 0 HA LEU A 72 8.834 -7.891 2.058 1.00 15.32 H new ATOM 0 HB2 LEU A 72 7.127 -6.420 1.017 1.00 41.43 H new ATOM 0 HB3 LEU A 72 8.293 -5.116 0.924 1.00 41.43 H new ATOM 0 HG LEU A 72 9.674 -6.462 -0.640 1.00 21.21 H new ATOM 0 HD11 LEU A 72 8.738 -8.509 -1.650 1.00 43.02 H new ATOM 0 HD12 LEU A 72 9.037 -8.705 0.094 1.00 43.02 H new ATOM 0 HD13 LEU A 72 7.380 -8.447 -0.502 1.00 43.02 H new ATOM 0 HD21 LEU A 72 8.154 -6.295 -2.583 1.00 12.45 H new ATOM 0 HD22 LEU A 72 6.770 -6.124 -1.477 1.00 12.45 H new ATOM 0 HD23 LEU A 72 8.033 -4.871 -1.523 1.00 12.45 H new ATOM 1227 N GLN A 73 10.872 -5.288 2.291 1.00 33.30 N ATOM 1228 CA GLN A 73 12.269 -4.856 2.143 1.00 64.24 C ATOM 1229 C GLN A 73 13.246 -5.696 2.981 1.00 74.45 C ATOM 1230 O GLN A 73 14.344 -6.017 2.519 1.00 4.22 O ATOM 1231 CB GLN A 73 12.411 -3.366 2.484 1.00 33.53 C ATOM 1232 CG GLN A 73 11.939 -2.445 1.362 1.00 55.21 C ATOM 1233 CD GLN A 73 12.752 -2.627 0.086 1.00 45.24 C ATOM 1234 OE1 GLN A 73 13.936 -2.936 0.128 1.00 23.54 O ATOM 1235 NE2 GLN A 73 12.117 -2.464 -1.057 1.00 11.43 N ATOM 0 H GLN A 73 10.255 -4.579 2.687 1.00 33.30 H new ATOM 0 HA GLN A 73 12.537 -5.013 1.098 1.00 64.24 H new ATOM 0 HB2 GLN A 73 11.840 -3.150 3.387 1.00 33.53 H new ATOM 0 HB3 GLN A 73 13.455 -3.149 2.708 1.00 33.53 H new ATOM 0 HG2 GLN A 73 10.888 -2.641 1.152 1.00 55.21 H new ATOM 0 HG3 GLN A 73 12.010 -1.408 1.691 1.00 55.21 H new ATOM 0 HE21 GLN A 73 11.130 -2.206 -1.060 1.00 11.43 H new ATOM 0 HE22 GLN A 73 12.612 -2.595 -1.939 1.00 11.43 H new