USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 808 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 31 ASN : amide:sc= 0.544 K(o=0.68,f=-0.41) USER MOD Set 1.2: A 33 SER OG : rot 114:sc= 0.138 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.392! USER MOD Single : A 25 LYS NZ :NH3+ -121:sc= 0.77 (180deg=-0.521) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0.902 (180deg=0.882) USER MOD Single : A 32 THR OG1 : rot 44:sc= 0.712 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 37 GLN : amide:sc= -0.7 K(o=-0.7,f=0) USER MOD Single : A 39 MET CE :methyl 159:sc= -0.0792 (180deg=-0.692) USER MOD Single : A 44 MET CE :methyl 146:sc= -0.561 (180deg=-3.65!) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -0.0145 (180deg=-0.205) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.389 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 70:sc= -0.0194 USER MOD Single : A 56 LYS NZ :NH3+ 146:sc= -0.251 (180deg=-3.3!) USER MOD Single : A 57 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -169:sc= 0.473 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= -0.0111 (180deg=-0.165) USER MOD Single : A 67 GLN : amide:sc= -0.795 K(o=-0.8,f=-0.029) USER MOD Single : A 68 THR OG1 : rot 40:sc= 0.51 USER MOD Single : A 70 THR OG1 : rot 140:sc= 1.09 USER MOD Single : A 75 ASN : amide:sc= -2.18! K(o=-2.2!,f=-0.025) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.835 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0453) USER MOD Single : A 90 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.8) USER MOD Single : A 91 GLN : amide:sc= -1.06 K(o=-1.1,f=-12!) USER MOD Single : A 92 ASN : amide:sc= -2.58! K(o=-2.6!,f=-0.36) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 35:sc= 0.189 USER MOD Single : A 101 LYS NZ :NH3+ -108:sc= -2.8! (180deg=-4.39!) USER MOD Single : A 105 LYS NZ :NH3+ -150:sc= -1.06! (180deg=-2.85!) USER MOD Single : A 106 ASN : amide:sc= -2.26 K(o=-2.3,f=-10!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.41 USER MOD ----------------------------------------------------------------- ATOM 202 N ASN A 14 -9.155 -8.546 3.073 1.00 72.54 N ATOM 203 CA ASN A 14 -8.870 -7.499 4.068 1.00 41.02 C ATOM 204 C ASN A 14 -7.371 -7.150 4.105 1.00 32.04 C ATOM 205 O ASN A 14 -6.626 -7.641 4.956 1.00 3.14 O ATOM 206 CB ASN A 14 -9.339 -7.945 5.461 1.00 44.34 C ATOM 207 CG ASN A 14 -10.773 -8.441 5.456 1.00 54.11 C ATOM 208 OD1 ASN A 14 -11.716 -7.674 5.603 1.00 54.02 O ATOM 209 ND2 ASN A 14 -10.949 -9.738 5.293 1.00 33.10 N ATOM 0 HA ASN A 14 -9.418 -6.604 3.773 1.00 41.02 H new ATOM 0 HB2 ASN A 14 -8.685 -8.737 5.826 1.00 44.34 H new ATOM 0 HB3 ASN A 14 -9.248 -7.111 6.157 1.00 44.34 H new ATOM 0 HD21 ASN A 14 -11.891 -10.128 5.287 1.00 33.10 H new ATOM 0 HD22 ASN A 14 -10.143 -10.351 5.173 1.00 33.10 H new ATOM 216 N VAL A 15 -6.932 -6.316 3.167 1.00 15.24 N ATOM 217 CA VAL A 15 -5.520 -5.938 3.062 1.00 11.12 C ATOM 218 C VAL A 15 -5.242 -4.569 3.712 1.00 52.14 C ATOM 219 O VAL A 15 -5.658 -3.528 3.203 1.00 25.31 O ATOM 220 CB VAL A 15 -5.062 -5.904 1.581 1.00 64.44 C ATOM 221 CG1 VAL A 15 -3.563 -5.632 1.484 1.00 44.33 C ATOM 222 CG2 VAL A 15 -5.424 -7.209 0.868 1.00 42.15 C ATOM 0 H VAL A 15 -7.534 -5.886 2.465 1.00 15.24 H new ATOM 0 HA VAL A 15 -4.952 -6.698 3.599 1.00 11.12 H new ATOM 0 HB VAL A 15 -5.588 -5.090 1.083 1.00 64.44 H new ATOM 0 HG11 VAL A 15 -3.264 -5.613 0.436 1.00 44.33 H new ATOM 0 HG12 VAL A 15 -3.337 -4.670 1.944 1.00 44.33 H new ATOM 0 HG13 VAL A 15 -3.016 -6.419 2.003 1.00 44.33 H new ATOM 0 HG21 VAL A 15 -5.093 -7.161 -0.169 1.00 42.15 H new ATOM 0 HG22 VAL A 15 -4.934 -8.045 1.367 1.00 42.15 H new ATOM 0 HG23 VAL A 15 -6.504 -7.352 0.897 1.00 42.15 H new ATOM 232 N CYS A 16 -4.539 -4.582 4.846 1.00 35.04 N ATOM 233 CA CYS A 16 -4.135 -3.343 5.534 1.00 45.53 C ATOM 234 C CYS A 16 -2.627 -3.102 5.375 1.00 0.15 C ATOM 235 O CYS A 16 -1.910 -3.951 4.856 1.00 32.03 O ATOM 236 CB CYS A 16 -4.498 -3.407 7.024 1.00 23.24 C ATOM 237 SG CYS A 16 -4.074 -1.912 7.957 1.00 63.14 S ATOM 0 H CYS A 16 -4.234 -5.436 5.312 1.00 35.04 H new ATOM 0 HA CYS A 16 -4.674 -2.514 5.076 1.00 45.53 H new ATOM 0 HB2 CYS A 16 -5.569 -3.589 7.118 1.00 23.24 H new ATOM 0 HB3 CYS A 16 -3.989 -4.259 7.474 1.00 23.24 H new ATOM 0 HG CYS A 16 -4.421 -2.064 9.201 1.00 63.14 H new ATOM 243 N ILE A 17 -2.140 -1.949 5.825 1.00 31.35 N ATOM 244 CA ILE A 17 -0.715 -1.606 5.681 1.00 53.43 C ATOM 245 C ILE A 17 0.115 -2.104 6.876 1.00 63.11 C ATOM 246 O ILE A 17 -0.128 -1.702 8.014 1.00 54.53 O ATOM 247 CB ILE A 17 -0.519 -0.074 5.542 1.00 44.12 C ATOM 248 CG1 ILE A 17 -1.327 0.463 4.349 1.00 63.12 C ATOM 249 CG2 ILE A 17 0.966 0.274 5.389 1.00 61.32 C ATOM 250 CD1 ILE A 17 -1.228 1.965 4.165 1.00 45.42 C ATOM 0 H ILE A 17 -2.701 -1.236 6.291 1.00 31.35 H new ATOM 0 HA ILE A 17 -0.367 -2.103 4.775 1.00 53.43 H new ATOM 0 HB ILE A 17 -0.886 0.402 6.451 1.00 44.12 H new ATOM 0 HG12 ILE A 17 -0.982 -0.028 3.439 1.00 63.12 H new ATOM 0 HG13 ILE A 17 -2.374 0.191 4.481 1.00 63.12 H new ATOM 0 HG21 ILE A 17 1.079 1.354 5.293 1.00 61.32 H new ATOM 0 HG22 ILE A 17 1.513 -0.071 6.266 1.00 61.32 H new ATOM 0 HG23 ILE A 17 1.364 -0.213 4.499 1.00 61.32 H new ATOM 0 HD11 ILE A 17 -1.825 2.266 3.304 1.00 45.42 H new ATOM 0 HD12 ILE A 17 -1.601 2.466 5.058 1.00 45.42 H new ATOM 0 HD13 ILE A 17 -0.187 2.244 4.000 1.00 45.42 H new ATOM 262 N GLU A 18 1.099 -2.971 6.620 1.00 61.34 N ATOM 263 CA GLU A 18 2.003 -3.435 7.682 1.00 70.14 C ATOM 264 C GLU A 18 3.022 -2.342 8.038 1.00 75.40 C ATOM 265 O GLU A 18 3.219 -2.020 9.210 1.00 72.33 O ATOM 266 CB GLU A 18 2.747 -4.722 7.274 1.00 13.42 C ATOM 267 CG GLU A 18 3.665 -5.263 8.377 1.00 64.23 C ATOM 268 CD GLU A 18 4.468 -6.493 7.967 1.00 34.12 C ATOM 269 OE1 GLU A 18 3.980 -7.628 8.168 1.00 72.55 O ATOM 270 OE2 GLU A 18 5.601 -6.327 7.461 1.00 70.30 O ATOM 0 H GLU A 18 1.291 -3.363 5.698 1.00 61.34 H new ATOM 0 HA GLU A 18 1.389 -3.657 8.555 1.00 70.14 H new ATOM 0 HB2 GLU A 18 2.018 -5.487 7.009 1.00 13.42 H new ATOM 0 HB3 GLU A 18 3.340 -4.524 6.381 1.00 13.42 H new ATOM 0 HG2 GLU A 18 4.355 -4.476 8.680 1.00 64.23 H new ATOM 0 HG3 GLU A 18 3.061 -5.510 9.250 1.00 64.23 H new ATOM 277 N GLU A 19 3.654 -1.761 7.017 1.00 1.14 N ATOM 278 CA GLU A 19 4.687 -0.744 7.237 1.00 60.41 C ATOM 279 C GLU A 19 4.861 0.178 6.018 1.00 52.22 C ATOM 280 O GLU A 19 4.589 -0.215 4.882 1.00 63.11 O ATOM 281 CB GLU A 19 6.028 -1.416 7.560 1.00 71.42 C ATOM 282 CG GLU A 19 7.056 -0.469 8.167 1.00 3.42 C ATOM 283 CD GLU A 19 6.657 0.001 9.558 1.00 41.00 C ATOM 284 OE1 GLU A 19 5.893 0.985 9.666 1.00 34.43 O ATOM 285 OE2 GLU A 19 7.093 -0.627 10.547 1.00 22.43 O ATOM 0 H GLU A 19 3.472 -1.974 6.036 1.00 1.14 H new ATOM 0 HA GLU A 19 4.362 -0.132 8.079 1.00 60.41 H new ATOM 0 HB2 GLU A 19 5.854 -2.241 8.251 1.00 71.42 H new ATOM 0 HB3 GLU A 19 6.438 -1.847 6.646 1.00 71.42 H new ATOM 0 HG2 GLU A 19 8.023 -0.970 8.219 1.00 3.42 H new ATOM 0 HG3 GLU A 19 7.180 0.396 7.515 1.00 3.42 H new ATOM 292 N ILE A 20 5.321 1.405 6.263 1.00 71.41 N ATOM 293 CA ILE A 20 5.632 2.353 5.185 1.00 14.40 C ATOM 294 C ILE A 20 7.116 2.755 5.243 1.00 54.31 C ATOM 295 O ILE A 20 7.604 3.200 6.283 1.00 25.51 O ATOM 296 CB ILE A 20 4.749 3.628 5.264 1.00 5.10 C ATOM 297 CG1 ILE A 20 3.262 3.252 5.359 1.00 5.44 C ATOM 298 CG2 ILE A 20 4.998 4.522 4.050 1.00 20.24 C ATOM 299 CD1 ILE A 20 2.334 4.441 5.518 1.00 21.25 C ATOM 0 H ILE A 20 5.488 1.770 7.201 1.00 71.41 H new ATOM 0 HA ILE A 20 5.421 1.851 4.241 1.00 14.40 H new ATOM 0 HB ILE A 20 5.020 4.180 6.164 1.00 5.10 H new ATOM 0 HG12 ILE A 20 2.979 2.701 4.462 1.00 5.44 H new ATOM 0 HG13 ILE A 20 3.121 2.579 6.205 1.00 5.44 H new ATOM 0 HG21 ILE A 20 4.372 5.412 4.119 1.00 20.24 H new ATOM 0 HG22 ILE A 20 6.047 4.817 4.025 1.00 20.24 H new ATOM 0 HG23 ILE A 20 4.753 3.976 3.139 1.00 20.24 H new ATOM 0 HD11 ILE A 20 1.303 4.092 5.578 1.00 21.25 H new ATOM 0 HD12 ILE A 20 2.588 4.981 6.430 1.00 21.25 H new ATOM 0 HD13 ILE A 20 2.443 5.105 4.661 1.00 21.25 H new ATOM 311 N ASP A 21 7.823 2.594 4.128 1.00 64.45 N ATOM 312 CA ASP A 21 9.268 2.836 4.078 1.00 2.20 C ATOM 313 C ASP A 21 9.628 4.327 4.230 1.00 3.51 C ATOM 314 O ASP A 21 8.925 5.211 3.735 1.00 32.22 O ATOM 315 CB ASP A 21 9.824 2.278 2.766 1.00 64.50 C ATOM 316 CG ASP A 21 11.283 2.610 2.543 1.00 62.33 C ATOM 317 OD1 ASP A 21 12.086 2.460 3.487 1.00 31.42 O ATOM 318 OD2 ASP A 21 11.633 3.011 1.415 1.00 62.03 O ATOM 0 H ASP A 21 7.419 2.295 3.240 1.00 64.45 H new ATOM 0 HA ASP A 21 9.723 2.324 4.926 1.00 2.20 H new ATOM 0 HB2 ASP A 21 9.700 1.195 2.759 1.00 64.50 H new ATOM 0 HB3 ASP A 21 9.238 2.671 1.935 1.00 64.50 H new ATOM 323 N VAL A 22 10.745 4.588 4.914 1.00 13.41 N ATOM 324 CA VAL A 22 11.229 5.955 5.143 1.00 61.54 C ATOM 325 C VAL A 22 12.315 6.344 4.121 1.00 35.40 C ATOM 326 O VAL A 22 12.594 7.527 3.915 1.00 3.14 O ATOM 327 CB VAL A 22 11.786 6.113 6.584 1.00 42.12 C ATOM 328 CG1 VAL A 22 13.015 5.228 6.800 1.00 0.21 C ATOM 329 CG2 VAL A 22 12.101 7.577 6.897 1.00 31.12 C ATOM 0 H VAL A 22 11.337 3.865 5.323 1.00 13.41 H new ATOM 0 HA VAL A 22 10.378 6.624 5.017 1.00 61.54 H new ATOM 0 HB VAL A 22 11.012 5.784 7.277 1.00 42.12 H new ATOM 0 HG11 VAL A 22 13.384 5.359 7.817 1.00 0.21 H new ATOM 0 HG12 VAL A 22 12.743 4.184 6.644 1.00 0.21 H new ATOM 0 HG13 VAL A 22 13.795 5.509 6.092 1.00 0.21 H new ATOM 0 HG21 VAL A 22 12.489 7.657 7.912 1.00 31.12 H new ATOM 0 HG22 VAL A 22 12.847 7.947 6.193 1.00 31.12 H new ATOM 0 HG23 VAL A 22 11.192 8.172 6.808 1.00 31.12 H new ATOM 339 N ASP A 23 12.922 5.341 3.486 1.00 35.40 N ATOM 340 CA ASP A 23 13.948 5.570 2.463 1.00 70.41 C ATOM 341 C ASP A 23 13.341 6.287 1.246 1.00 53.23 C ATOM 342 O ASP A 23 13.966 7.170 0.648 1.00 0.35 O ATOM 343 CB ASP A 23 14.560 4.228 2.042 1.00 45.12 C ATOM 344 CG ASP A 23 15.757 4.372 1.118 1.00 30.50 C ATOM 345 OD1 ASP A 23 15.564 4.668 -0.078 1.00 62.31 O ATOM 346 OD2 ASP A 23 16.902 4.176 1.584 1.00 33.50 O ATOM 0 H ASP A 23 12.721 4.357 3.662 1.00 35.40 H new ATOM 0 HA ASP A 23 14.730 6.205 2.878 1.00 70.41 H new ATOM 0 HB2 ASP A 23 14.863 3.680 2.934 1.00 45.12 H new ATOM 0 HB3 ASP A 23 13.797 3.630 1.545 1.00 45.12 H new ATOM 351 N GLY A 24 12.116 5.897 0.891 1.00 63.11 N ATOM 352 CA GLY A 24 11.401 6.535 -0.210 1.00 34.41 C ATOM 353 C GLY A 24 11.083 5.582 -1.358 1.00 33.40 C ATOM 354 O GLY A 24 10.880 6.015 -2.495 1.00 41.04 O ATOM 0 H GLY A 24 11.602 5.145 1.349 1.00 63.11 H new ATOM 0 HA2 GLY A 24 10.471 6.960 0.168 1.00 34.41 H new ATOM 0 HA3 GLY A 24 11.999 7.363 -0.590 1.00 34.41 H new ATOM 358 N LYS A 25 11.021 4.283 -1.065 1.00 13.42 N ATOM 359 CA LYS A 25 10.813 3.267 -2.103 1.00 72.23 C ATOM 360 C LYS A 25 9.452 2.553 -1.996 1.00 15.55 C ATOM 361 O LYS A 25 8.629 2.653 -2.903 1.00 42.21 O ATOM 362 CB LYS A 25 11.944 2.228 -2.067 1.00 63.11 C ATOM 363 CG LYS A 25 13.314 2.791 -2.436 1.00 65.43 C ATOM 364 CD LYS A 25 14.369 1.690 -2.531 1.00 13.31 C ATOM 365 CE LYS A 25 15.707 2.223 -3.027 1.00 35.00 C ATOM 366 NZ LYS A 25 16.302 3.211 -2.091 1.00 34.34 N ATOM 0 H LYS A 25 11.111 3.908 -0.121 1.00 13.42 H new ATOM 0 HA LYS A 25 10.819 3.799 -3.054 1.00 72.23 H new ATOM 0 HB2 LYS A 25 11.997 1.797 -1.067 1.00 63.11 H new ATOM 0 HB3 LYS A 25 11.700 1.416 -2.752 1.00 63.11 H new ATOM 0 HG2 LYS A 25 13.248 3.315 -3.389 1.00 65.43 H new ATOM 0 HG3 LYS A 25 13.619 3.525 -1.690 1.00 65.43 H new ATOM 0 HD2 LYS A 25 14.502 1.230 -1.552 1.00 13.31 H new ATOM 0 HD3 LYS A 25 14.018 0.909 -3.205 1.00 13.31 H new ATOM 0 HE2 LYS A 25 16.399 1.392 -3.163 1.00 35.00 H new ATOM 0 HE3 LYS A 25 15.571 2.687 -4.004 1.00 35.00 H new ATOM 0 HZ1 LYS A 25 16.440 4.116 -2.584 1.00 34.34 H new ATOM 0 HZ2 LYS A 25 15.664 3.351 -1.282 1.00 34.34 H new ATOM 0 HZ3 LYS A 25 17.219 2.858 -1.751 1.00 34.34 H new ATOM 380 N PHE A 26 9.206 1.831 -0.900 1.00 33.13 N ATOM 381 CA PHE A 26 8.064 0.897 -0.860 1.00 22.35 C ATOM 382 C PHE A 26 7.043 1.175 0.260 1.00 44.42 C ATOM 383 O PHE A 26 7.359 1.751 1.300 1.00 44.33 O ATOM 384 CB PHE A 26 8.578 -0.546 -0.745 1.00 22.14 C ATOM 385 CG PHE A 26 9.340 -0.848 0.525 1.00 45.41 C ATOM 386 CD1 PHE A 26 8.676 -1.286 1.663 1.00 42.21 C ATOM 387 CD2 PHE A 26 10.719 -0.702 0.576 1.00 13.13 C ATOM 388 CE1 PHE A 26 9.369 -1.573 2.822 1.00 1.11 C ATOM 389 CE2 PHE A 26 11.418 -0.991 1.735 1.00 22.04 C ATOM 390 CZ PHE A 26 10.742 -1.425 2.859 1.00 60.23 C ATOM 0 H PHE A 26 9.762 1.868 -0.046 1.00 33.13 H new ATOM 0 HA PHE A 26 7.526 1.049 -1.795 1.00 22.35 H new ATOM 0 HB2 PHE A 26 7.729 -1.226 -0.813 1.00 22.14 H new ATOM 0 HB3 PHE A 26 9.223 -0.756 -1.598 1.00 22.14 H new ATOM 0 HD1 PHE A 26 7.603 -1.404 1.641 1.00 42.21 H new ATOM 0 HD2 PHE A 26 11.253 -0.359 -0.298 1.00 13.13 H new ATOM 0 HE1 PHE A 26 8.838 -1.913 3.699 1.00 1.11 H new ATOM 0 HE2 PHE A 26 12.492 -0.877 1.761 1.00 22.04 H new ATOM 0 HZ PHE A 26 11.286 -1.648 3.765 1.00 60.23 H new ATOM 400 N ILE A 27 5.803 0.748 0.016 1.00 63.11 N ATOM 401 CA ILE A 27 4.740 0.750 1.026 1.00 73.52 C ATOM 402 C ILE A 27 4.178 -0.675 1.179 1.00 42.13 C ATOM 403 O ILE A 27 3.531 -1.193 0.271 1.00 43.31 O ATOM 404 CB ILE A 27 3.589 1.714 0.636 1.00 54.25 C ATOM 405 CG1 ILE A 27 4.133 3.137 0.404 1.00 42.34 C ATOM 406 CG2 ILE A 27 2.502 1.720 1.713 1.00 44.30 C ATOM 407 CD1 ILE A 27 3.089 4.122 -0.087 1.00 25.12 C ATOM 0 H ILE A 27 5.505 0.389 -0.891 1.00 63.11 H new ATOM 0 HA ILE A 27 5.168 1.092 1.968 1.00 73.52 H new ATOM 0 HB ILE A 27 3.144 1.360 -0.294 1.00 54.25 H new ATOM 0 HG12 ILE A 27 4.559 3.509 1.336 1.00 42.34 H new ATOM 0 HG13 ILE A 27 4.945 3.091 -0.322 1.00 42.34 H new ATOM 0 HG21 ILE A 27 1.704 2.402 1.421 1.00 44.30 H new ATOM 0 HG22 ILE A 27 2.097 0.715 1.826 1.00 44.30 H new ATOM 0 HG23 ILE A 27 2.930 2.047 2.660 1.00 44.30 H new ATOM 0 HD11 ILE A 27 3.549 5.100 -0.226 1.00 25.12 H new ATOM 0 HD12 ILE A 27 2.679 3.775 -1.036 1.00 25.12 H new ATOM 0 HD13 ILE A 27 2.288 4.199 0.648 1.00 25.12 H new ATOM 419 N ARG A 28 4.435 -1.313 2.317 1.00 65.21 N ATOM 420 CA ARG A 28 4.097 -2.733 2.497 1.00 10.31 C ATOM 421 C ARG A 28 2.703 -2.949 3.111 1.00 32.15 C ATOM 422 O ARG A 28 2.441 -2.558 4.253 1.00 11.35 O ATOM 423 CB ARG A 28 5.170 -3.422 3.355 1.00 24.24 C ATOM 424 CG ARG A 28 4.830 -4.862 3.742 1.00 75.20 C ATOM 425 CD ARG A 28 6.048 -5.596 4.288 1.00 75.54 C ATOM 426 NE ARG A 28 7.051 -5.825 3.247 1.00 22.20 N ATOM 427 CZ ARG A 28 8.334 -5.900 3.462 1.00 42.55 C ATOM 428 NH1 ARG A 28 8.822 -5.704 4.645 1.00 42.34 N ATOM 429 NH2 ARG A 28 9.133 -6.161 2.480 1.00 51.14 N ATOM 0 H ARG A 28 4.874 -0.877 3.128 1.00 65.21 H new ATOM 0 HA ARG A 28 4.071 -3.181 1.504 1.00 10.31 H new ATOM 0 HB2 ARG A 28 6.114 -3.417 2.810 1.00 24.24 H new ATOM 0 HB3 ARG A 28 5.323 -2.839 4.263 1.00 24.24 H new ATOM 0 HG2 ARG A 28 4.038 -4.861 4.491 1.00 75.20 H new ATOM 0 HG3 ARG A 28 4.444 -5.392 2.871 1.00 75.20 H new ATOM 0 HD2 ARG A 28 6.490 -5.016 5.098 1.00 75.54 H new ATOM 0 HD3 ARG A 28 5.738 -6.551 4.712 1.00 75.54 H new ATOM 0 HE ARG A 28 6.723 -5.933 2.287 1.00 22.20 H new ATOM 0 HH11 ARG A 28 8.200 -5.488 5.424 1.00 42.34 H new ATOM 0 HH12 ARG A 28 9.829 -5.766 4.798 1.00 42.34 H new ATOM 0 HH21 ARG A 28 8.758 -6.307 1.543 1.00 51.14 H new ATOM 0 HH22 ARG A 28 10.138 -6.221 2.642 1.00 51.14 H new ATOM 443 N LEU A 29 1.818 -3.585 2.343 1.00 74.23 N ATOM 444 CA LEU A 29 0.491 -3.976 2.832 1.00 3.41 C ATOM 445 C LEU A 29 0.481 -5.443 3.300 1.00 31.44 C ATOM 446 O LEU A 29 1.495 -6.140 3.223 1.00 72.22 O ATOM 447 CB LEU A 29 -0.579 -3.757 1.753 1.00 41.03 C ATOM 448 CG LEU A 29 -0.955 -2.291 1.471 1.00 34.23 C ATOM 449 CD1 LEU A 29 0.186 -1.543 0.781 1.00 25.43 C ATOM 450 CD2 LEU A 29 -2.235 -2.219 0.642 1.00 31.32 C ATOM 0 H LEU A 29 1.996 -3.843 1.372 1.00 74.23 H new ATOM 0 HA LEU A 29 0.256 -3.341 3.687 1.00 3.41 H new ATOM 0 HB2 LEU A 29 -0.229 -4.208 0.824 1.00 41.03 H new ATOM 0 HB3 LEU A 29 -1.481 -4.294 2.048 1.00 41.03 H new ATOM 0 HG LEU A 29 -1.134 -1.801 2.428 1.00 34.23 H new ATOM 0 HD11 LEU A 29 -0.114 -0.511 0.597 1.00 25.43 H new ATOM 0 HD12 LEU A 29 1.069 -1.556 1.421 1.00 25.43 H new ATOM 0 HD13 LEU A 29 0.418 -2.028 -0.167 1.00 25.43 H new ATOM 0 HD21 LEU A 29 -2.487 -1.176 0.451 1.00 31.32 H new ATOM 0 HD22 LEU A 29 -2.084 -2.735 -0.306 1.00 31.32 H new ATOM 0 HD23 LEU A 29 -3.049 -2.695 1.188 1.00 31.32 H new ATOM 462 N LYS A 30 -0.674 -5.913 3.768 1.00 23.43 N ATOM 463 CA LYS A 30 -0.768 -7.227 4.411 1.00 1.21 C ATOM 464 C LYS A 30 -2.231 -7.693 4.527 1.00 23.33 C ATOM 465 O LYS A 30 -3.068 -6.998 5.108 1.00 10.55 O ATOM 466 CB LYS A 30 -0.131 -7.129 5.805 1.00 21.22 C ATOM 467 CG LYS A 30 0.099 -8.456 6.518 1.00 41.21 C ATOM 468 CD LYS A 30 0.815 -8.223 7.844 1.00 75.21 C ATOM 469 CE LYS A 30 1.282 -9.513 8.502 1.00 2.21 C ATOM 470 NZ LYS A 30 2.158 -9.230 9.668 1.00 64.52 N ATOM 0 H LYS A 30 -1.558 -5.406 3.715 1.00 23.43 H new ATOM 0 HA LYS A 30 -0.241 -7.962 3.802 1.00 1.21 H new ATOM 0 HB2 LYS A 30 0.826 -6.616 5.712 1.00 21.22 H new ATOM 0 HB3 LYS A 30 -0.767 -6.505 6.433 1.00 21.22 H new ATOM 0 HG2 LYS A 30 -0.855 -8.953 6.694 1.00 41.21 H new ATOM 0 HG3 LYS A 30 0.692 -9.118 5.887 1.00 41.21 H new ATOM 0 HD2 LYS A 30 1.675 -7.575 7.677 1.00 75.21 H new ATOM 0 HD3 LYS A 30 0.146 -7.696 8.524 1.00 75.21 H new ATOM 0 HE2 LYS A 30 0.418 -10.094 8.824 1.00 2.21 H new ATOM 0 HE3 LYS A 30 1.822 -10.121 7.776 1.00 2.21 H new ATOM 0 HZ1 LYS A 30 2.531 -10.124 10.047 1.00 64.52 H new ATOM 0 HZ2 LYS A 30 2.949 -8.624 9.369 1.00 64.52 H new ATOM 0 HZ3 LYS A 30 1.609 -8.744 10.405 1.00 64.52 H new ATOM 484 N ASN A 31 -2.537 -8.864 3.970 1.00 62.11 N ATOM 485 CA ASN A 31 -3.894 -9.427 4.053 1.00 54.41 C ATOM 486 C ASN A 31 -4.190 -9.973 5.460 1.00 1.11 C ATOM 487 O ASN A 31 -3.840 -11.108 5.787 1.00 62.20 O ATOM 488 CB ASN A 31 -4.079 -10.530 2.999 1.00 21.02 C ATOM 489 CG ASN A 31 -5.433 -11.223 3.077 1.00 74.20 C ATOM 490 OD1 ASN A 31 -6.421 -10.654 3.530 1.00 42.12 O ATOM 491 ND2 ASN A 31 -5.492 -12.461 2.629 1.00 75.44 N ATOM 0 H ASN A 31 -1.871 -9.443 3.458 1.00 62.11 H new ATOM 0 HA ASN A 31 -4.603 -8.624 3.852 1.00 54.41 H new ATOM 0 HB2 ASN A 31 -3.958 -10.097 2.006 1.00 21.02 H new ATOM 0 HB3 ASN A 31 -3.291 -11.274 3.121 1.00 21.02 H new ATOM 0 HD21 ASN A 31 -6.375 -12.971 2.654 1.00 75.44 H new ATOM 0 HD22 ASN A 31 -4.655 -12.909 2.258 1.00 75.44 H new ATOM 498 N THR A 32 -4.825 -9.156 6.292 1.00 54.43 N ATOM 499 CA THR A 32 -5.171 -9.557 7.658 1.00 42.03 C ATOM 500 C THR A 32 -6.467 -10.378 7.687 1.00 74.01 C ATOM 501 O THR A 32 -7.563 -9.836 7.835 1.00 50.41 O ATOM 502 CB THR A 32 -5.319 -8.329 8.593 1.00 14.01 C ATOM 503 OG1 THR A 32 -6.329 -7.436 8.093 1.00 63.55 O ATOM 504 CG2 THR A 32 -3.996 -7.575 8.721 1.00 11.21 C ATOM 0 H THR A 32 -5.113 -8.209 6.047 1.00 54.43 H new ATOM 0 HA THR A 32 -4.350 -10.176 8.020 1.00 42.03 H new ATOM 0 HB THR A 32 -5.613 -8.695 9.577 1.00 14.01 H new ATOM 0 HG1 THR A 32 -7.111 -7.953 7.809 1.00 63.55 H new ATOM 0 HG21 THR A 32 -4.128 -6.718 9.382 1.00 11.21 H new ATOM 0 HG22 THR A 32 -3.237 -8.239 9.135 1.00 11.21 H new ATOM 0 HG23 THR A 32 -3.678 -7.229 7.738 1.00 11.21 H new ATOM 512 N SER A 33 -6.332 -11.690 7.517 1.00 62.13 N ATOM 513 CA SER A 33 -7.484 -12.603 7.515 1.00 34.54 C ATOM 514 C SER A 33 -7.065 -14.028 7.901 1.00 3.02 C ATOM 515 O SER A 33 -5.880 -14.310 8.085 1.00 23.53 O ATOM 516 CB SER A 33 -8.150 -12.618 6.133 1.00 20.44 C ATOM 517 OG SER A 33 -7.247 -13.055 5.129 1.00 55.55 O ATOM 0 H SER A 33 -5.433 -12.152 7.378 1.00 62.13 H new ATOM 0 HA SER A 33 -8.196 -12.240 8.256 1.00 34.54 H new ATOM 0 HB2 SER A 33 -9.020 -13.275 6.153 1.00 20.44 H new ATOM 0 HB3 SER A 33 -8.511 -11.619 5.890 1.00 20.44 H new ATOM 0 HG SER A 33 -7.553 -13.912 4.764 1.00 55.55 H new ATOM 523 N GLU A 34 -8.045 -14.923 8.023 1.00 51.44 N ATOM 524 CA GLU A 34 -7.785 -16.314 8.426 1.00 5.14 C ATOM 525 C GLU A 34 -7.828 -17.288 7.234 1.00 21.13 C ATOM 526 O GLU A 34 -7.690 -18.501 7.413 1.00 24.54 O ATOM 527 CB GLU A 34 -8.819 -16.755 9.473 1.00 22.41 C ATOM 528 CG GLU A 34 -8.789 -15.947 10.768 1.00 4.32 C ATOM 529 CD GLU A 34 -9.808 -16.441 11.782 1.00 41.24 C ATOM 530 OE1 GLU A 34 -9.560 -17.490 12.413 1.00 40.21 O ATOM 531 OE2 GLU A 34 -10.870 -15.797 11.937 1.00 51.14 O ATOM 0 H GLU A 34 -9.028 -14.714 7.850 1.00 51.44 H new ATOM 0 HA GLU A 34 -6.779 -16.344 8.846 1.00 5.14 H new ATOM 0 HB2 GLU A 34 -9.815 -16.681 9.036 1.00 22.41 H new ATOM 0 HB3 GLU A 34 -8.652 -17.806 9.711 1.00 22.41 H new ATOM 0 HG2 GLU A 34 -7.791 -16.001 11.204 1.00 4.32 H new ATOM 0 HG3 GLU A 34 -8.983 -14.898 10.543 1.00 4.32 H new ATOM 538 N GLN A 35 -8.006 -16.762 6.025 1.00 2.25 N ATOM 539 CA GLN A 35 -8.192 -17.609 4.839 1.00 5.34 C ATOM 540 C GLN A 35 -7.642 -16.934 3.574 1.00 63.25 C ATOM 541 O GLN A 35 -7.561 -15.712 3.502 1.00 23.22 O ATOM 542 CB GLN A 35 -9.688 -17.917 4.676 1.00 15.33 C ATOM 543 CG GLN A 35 -10.013 -18.934 3.586 1.00 1.23 C ATOM 544 CD GLN A 35 -11.497 -19.279 3.533 1.00 22.42 C ATOM 545 OE1 GLN A 35 -12.194 -19.224 4.538 1.00 44.24 O ATOM 546 NE2 GLN A 35 -11.991 -19.644 2.367 1.00 42.30 N ATOM 0 H GLN A 35 -8.026 -15.760 5.836 1.00 2.25 H new ATOM 0 HA GLN A 35 -7.636 -18.536 4.978 1.00 5.34 H new ATOM 0 HB2 GLN A 35 -10.075 -18.286 5.626 1.00 15.33 H new ATOM 0 HB3 GLN A 35 -10.215 -16.988 4.457 1.00 15.33 H new ATOM 0 HG2 GLN A 35 -9.701 -18.538 2.620 1.00 1.23 H new ATOM 0 HG3 GLN A 35 -9.438 -19.844 3.759 1.00 1.23 H new ATOM 0 HE21 GLN A 35 -11.387 -19.681 1.546 1.00 42.30 H new ATOM 0 HE22 GLN A 35 -12.978 -19.890 2.285 1.00 42.30 H new ATOM 555 N ASP A 36 -7.250 -17.739 2.586 1.00 30.44 N ATOM 556 CA ASP A 36 -6.758 -17.219 1.303 1.00 45.31 C ATOM 557 C ASP A 36 -7.832 -16.359 0.607 1.00 72.40 C ATOM 558 O ASP A 36 -8.910 -16.850 0.259 1.00 23.04 O ATOM 559 CB ASP A 36 -6.341 -18.384 0.398 1.00 60.34 C ATOM 560 CG ASP A 36 -5.367 -19.323 1.090 1.00 31.40 C ATOM 561 OD1 ASP A 36 -5.818 -20.154 1.907 1.00 62.43 O ATOM 562 OD2 ASP A 36 -4.148 -19.234 0.832 1.00 13.52 O ATOM 0 H ASP A 36 -7.263 -18.757 2.647 1.00 30.44 H new ATOM 0 HA ASP A 36 -5.892 -16.585 1.495 1.00 45.31 H new ATOM 0 HB2 ASP A 36 -7.227 -18.941 0.093 1.00 60.34 H new ATOM 0 HB3 ASP A 36 -5.883 -17.992 -0.510 1.00 60.34 H new ATOM 567 N GLN A 37 -7.539 -15.076 0.412 1.00 53.23 N ATOM 568 CA GLN A 37 -8.521 -14.121 -0.130 1.00 10.05 C ATOM 569 C GLN A 37 -8.078 -13.573 -1.501 1.00 34.22 C ATOM 570 O GLN A 37 -6.921 -13.712 -1.885 1.00 10.10 O ATOM 571 CB GLN A 37 -8.704 -12.949 0.852 1.00 44.13 C ATOM 572 CG GLN A 37 -9.112 -13.353 2.269 1.00 23.44 C ATOM 573 CD GLN A 37 -10.485 -14.005 2.342 1.00 5.21 C ATOM 574 OE1 GLN A 37 -11.495 -13.338 2.524 1.00 71.22 O ATOM 575 NE2 GLN A 37 -10.535 -15.313 2.211 1.00 43.32 N ATOM 0 H GLN A 37 -6.629 -14.666 0.620 1.00 53.23 H new ATOM 0 HA GLN A 37 -9.465 -14.650 -0.261 1.00 10.05 H new ATOM 0 HB2 GLN A 37 -7.770 -12.389 0.904 1.00 44.13 H new ATOM 0 HB3 GLN A 37 -9.459 -12.273 0.451 1.00 44.13 H new ATOM 0 HG2 GLN A 37 -8.369 -14.043 2.670 1.00 23.44 H new ATOM 0 HG3 GLN A 37 -9.104 -12.469 2.907 1.00 23.44 H new ATOM 0 HE21 GLN A 37 -9.677 -15.844 2.060 1.00 43.32 H new ATOM 0 HE22 GLN A 37 -11.432 -15.797 2.260 1.00 43.32 H new ATOM 584 N PRO A 38 -8.999 -12.954 -2.270 1.00 4.34 N ATOM 585 CA PRO A 38 -8.634 -12.217 -3.490 1.00 74.12 C ATOM 586 C PRO A 38 -8.005 -10.852 -3.148 1.00 33.52 C ATOM 587 O PRO A 38 -8.405 -10.219 -2.171 1.00 15.22 O ATOM 588 CB PRO A 38 -9.978 -12.026 -4.228 1.00 14.12 C ATOM 589 CG PRO A 38 -11.001 -12.785 -3.436 1.00 62.21 C ATOM 590 CD PRO A 38 -10.451 -12.930 -2.042 1.00 24.53 C ATOM 0 HA PRO A 38 -7.893 -12.747 -4.088 1.00 74.12 H new ATOM 0 HB2 PRO A 38 -10.240 -10.970 -4.292 1.00 14.12 H new ATOM 0 HB3 PRO A 38 -9.918 -12.402 -5.249 1.00 14.12 H new ATOM 0 HG2 PRO A 38 -11.952 -12.253 -3.423 1.00 62.21 H new ATOM 0 HG3 PRO A 38 -11.188 -13.762 -3.882 1.00 62.21 H new ATOM 0 HD2 PRO A 38 -10.747 -12.099 -1.401 1.00 24.53 H new ATOM 0 HD3 PRO A 38 -10.801 -13.844 -1.561 1.00 24.53 H new ATOM 598 N MET A 39 -7.026 -10.398 -3.944 1.00 1.04 N ATOM 599 CA MET A 39 -6.338 -9.123 -3.660 1.00 11.14 C ATOM 600 C MET A 39 -7.338 -7.968 -3.470 1.00 74.43 C ATOM 601 O MET A 39 -7.345 -7.308 -2.434 1.00 43.15 O ATOM 602 CB MET A 39 -5.346 -8.778 -4.778 1.00 50.54 C ATOM 603 CG MET A 39 -4.596 -7.468 -4.548 1.00 23.21 C ATOM 604 SD MET A 39 -3.705 -7.448 -2.980 1.00 51.31 S ATOM 605 CE MET A 39 -3.038 -5.785 -2.982 1.00 65.15 C ATOM 0 H MET A 39 -6.694 -10.883 -4.778 1.00 1.04 H new ATOM 0 HA MET A 39 -5.790 -9.253 -2.727 1.00 11.14 H new ATOM 0 HB2 MET A 39 -4.623 -9.588 -4.874 1.00 50.54 H new ATOM 0 HB3 MET A 39 -5.884 -8.717 -5.724 1.00 50.54 H new ATOM 0 HG2 MET A 39 -3.892 -7.308 -5.364 1.00 23.21 H new ATOM 0 HG3 MET A 39 -5.304 -6.639 -4.571 1.00 23.21 H new ATOM 0 HE1 MET A 39 -2.793 -5.490 -1.962 1.00 65.15 H new ATOM 0 HE2 MET A 39 -2.137 -5.755 -3.595 1.00 65.15 H new ATOM 0 HE3 MET A 39 -3.778 -5.097 -3.391 1.00 65.15 H new ATOM 615 N GLY A 40 -8.182 -7.733 -4.474 1.00 32.11 N ATOM 616 CA GLY A 40 -9.231 -6.725 -4.352 1.00 72.35 C ATOM 617 C GLY A 40 -8.951 -5.440 -5.123 1.00 73.00 C ATOM 618 O GLY A 40 -7.800 -5.028 -5.280 1.00 2.15 O ATOM 0 H GLY A 40 -8.160 -8.221 -5.370 1.00 32.11 H new ATOM 0 HA2 GLY A 40 -10.171 -7.150 -4.704 1.00 72.35 H new ATOM 0 HA3 GLY A 40 -9.366 -6.482 -3.298 1.00 72.35 H new ATOM 622 N GLY A 41 -10.017 -4.795 -5.598 1.00 12.52 N ATOM 623 CA GLY A 41 -9.882 -3.543 -6.334 1.00 72.00 C ATOM 624 C GLY A 41 -9.799 -2.323 -5.421 1.00 45.32 C ATOM 625 O GLY A 41 -10.631 -1.416 -5.505 1.00 14.12 O ATOM 0 H GLY A 41 -10.978 -5.119 -5.486 1.00 12.52 H new ATOM 0 HA2 GLY A 41 -8.987 -3.587 -6.955 1.00 72.00 H new ATOM 0 HA3 GLY A 41 -10.732 -3.430 -7.007 1.00 72.00 H new ATOM 629 N TRP A 42 -8.799 -2.308 -4.544 1.00 21.10 N ATOM 630 CA TRP A 42 -8.589 -1.187 -3.620 1.00 43.33 C ATOM 631 C TRP A 42 -7.885 -0.019 -4.331 1.00 62.02 C ATOM 632 O TRP A 42 -7.395 -0.168 -5.454 1.00 41.20 O ATOM 633 CB TRP A 42 -7.735 -1.643 -2.425 1.00 31.02 C ATOM 634 CG TRP A 42 -8.196 -2.929 -1.804 1.00 53.53 C ATOM 635 CD1 TRP A 42 -7.681 -4.172 -2.026 1.00 0.23 C ATOM 636 CD2 TRP A 42 -9.263 -3.101 -0.861 1.00 63.31 C ATOM 637 NE1 TRP A 42 -8.362 -5.104 -1.287 1.00 33.33 N ATOM 638 CE2 TRP A 42 -9.336 -4.473 -0.563 1.00 65.22 C ATOM 639 CE3 TRP A 42 -10.163 -2.232 -0.242 1.00 12.01 C ATOM 640 CZ2 TRP A 42 -10.269 -4.996 0.324 1.00 34.23 C ATOM 641 CZ3 TRP A 42 -11.089 -2.755 0.640 1.00 11.33 C ATOM 642 CH2 TRP A 42 -11.136 -4.124 0.916 1.00 72.54 C ATOM 0 H TRP A 42 -8.117 -3.060 -4.450 1.00 21.10 H new ATOM 0 HA TRP A 42 -9.564 -0.850 -3.267 1.00 43.33 H new ATOM 0 HB2 TRP A 42 -6.702 -1.759 -2.752 1.00 31.02 H new ATOM 0 HB3 TRP A 42 -7.743 -0.861 -1.666 1.00 31.02 H new ATOM 0 HD1 TRP A 42 -6.856 -4.390 -2.688 1.00 0.23 H new ATOM 0 HE1 TRP A 42 -8.173 -6.106 -1.278 1.00 33.33 H new ATOM 0 HE3 TRP A 42 -10.136 -1.172 -0.448 1.00 12.01 H new ATOM 0 HZ2 TRP A 42 -10.307 -6.054 0.537 1.00 34.23 H new ATOM 0 HZ3 TRP A 42 -11.790 -2.093 1.126 1.00 11.33 H new ATOM 0 HH2 TRP A 42 -11.873 -4.499 1.611 1.00 72.54 H new ATOM 653 N GLU A 43 -7.824 1.139 -3.680 1.00 75.13 N ATOM 654 CA GLU A 43 -7.072 2.275 -4.221 1.00 44.04 C ATOM 655 C GLU A 43 -6.265 2.987 -3.125 1.00 34.14 C ATOM 656 O GLU A 43 -6.808 3.403 -2.098 1.00 50.10 O ATOM 657 CB GLU A 43 -8.008 3.258 -4.935 1.00 42.01 C ATOM 658 CG GLU A 43 -7.270 4.376 -5.665 1.00 3.41 C ATOM 659 CD GLU A 43 -8.158 5.140 -6.636 1.00 52.52 C ATOM 660 OE1 GLU A 43 -8.393 4.628 -7.755 1.00 42.20 O ATOM 661 OE2 GLU A 43 -8.618 6.250 -6.297 1.00 50.44 O ATOM 0 H GLU A 43 -8.280 1.318 -2.786 1.00 75.13 H new ATOM 0 HA GLU A 43 -6.364 1.885 -4.952 1.00 44.04 H new ATOM 0 HB2 GLU A 43 -8.621 2.710 -5.650 1.00 42.01 H new ATOM 0 HB3 GLU A 43 -8.687 3.698 -4.204 1.00 42.01 H new ATOM 0 HG2 GLU A 43 -6.859 5.071 -4.933 1.00 3.41 H new ATOM 0 HG3 GLU A 43 -6.426 3.952 -6.210 1.00 3.41 H new ATOM 668 N MET A 44 -4.956 3.099 -3.350 1.00 54.42 N ATOM 669 CA MET A 44 -4.039 3.752 -2.413 1.00 1.02 C ATOM 670 C MET A 44 -3.848 5.238 -2.759 1.00 62.44 C ATOM 671 O MET A 44 -3.208 5.571 -3.754 1.00 14.13 O ATOM 672 CB MET A 44 -2.681 3.035 -2.439 1.00 45.12 C ATOM 673 CG MET A 44 -1.622 3.691 -1.568 1.00 63.30 C ATOM 674 SD MET A 44 -0.050 2.808 -1.583 1.00 61.24 S ATOM 675 CE MET A 44 0.384 2.902 -3.318 1.00 72.32 C ATOM 0 H MET A 44 -4.500 2.739 -4.188 1.00 54.42 H new ATOM 0 HA MET A 44 -4.472 3.691 -1.415 1.00 1.02 H new ATOM 0 HB2 MET A 44 -2.819 2.004 -2.112 1.00 45.12 H new ATOM 0 HB3 MET A 44 -2.320 2.998 -3.467 1.00 45.12 H new ATOM 0 HG2 MET A 44 -1.461 4.714 -1.910 1.00 63.30 H new ATOM 0 HG3 MET A 44 -1.989 3.751 -0.543 1.00 63.30 H new ATOM 0 HE1 MET A 44 1.467 2.981 -3.419 1.00 72.32 H new ATOM 0 HE2 MET A 44 0.036 2.004 -3.829 1.00 72.32 H new ATOM 0 HE3 MET A 44 -0.086 3.779 -3.764 1.00 72.32 H new ATOM 685 N ILE A 45 -4.410 6.125 -1.943 1.00 73.23 N ATOM 686 CA ILE A 45 -4.237 7.569 -2.134 1.00 42.01 C ATOM 687 C ILE A 45 -3.115 8.108 -1.230 1.00 22.51 C ATOM 688 O ILE A 45 -3.224 8.073 -0.003 1.00 62.01 O ATOM 689 CB ILE A 45 -5.544 8.365 -1.841 1.00 2.20 C ATOM 690 CG1 ILE A 45 -6.692 7.946 -2.786 1.00 2.44 C ATOM 691 CG2 ILE A 45 -5.288 9.870 -1.947 1.00 33.11 C ATOM 692 CD1 ILE A 45 -7.297 6.589 -2.475 1.00 22.43 C ATOM 0 H ILE A 45 -4.990 5.873 -1.142 1.00 73.23 H new ATOM 0 HA ILE A 45 -3.974 7.712 -3.182 1.00 42.01 H new ATOM 0 HB ILE A 45 -5.852 8.129 -0.822 1.00 2.20 H new ATOM 0 HG12 ILE A 45 -7.478 8.700 -2.739 1.00 2.44 H new ATOM 0 HG13 ILE A 45 -6.319 7.938 -3.810 1.00 2.44 H new ATOM 0 HG21 ILE A 45 -6.211 10.412 -1.740 1.00 33.11 H new ATOM 0 HG22 ILE A 45 -4.526 10.161 -1.224 1.00 33.11 H new ATOM 0 HG23 ILE A 45 -4.944 10.111 -2.953 1.00 33.11 H new ATOM 0 HD11 ILE A 45 -8.095 6.375 -3.186 1.00 22.43 H new ATOM 0 HD12 ILE A 45 -6.527 5.821 -2.551 1.00 22.43 H new ATOM 0 HD13 ILE A 45 -7.704 6.595 -1.464 1.00 22.43 H new ATOM 704 N ARG A 46 -2.037 8.602 -1.836 1.00 42.05 N ATOM 705 CA ARG A 46 -0.921 9.172 -1.076 1.00 61.30 C ATOM 706 C ARG A 46 -1.184 10.645 -0.721 1.00 22.24 C ATOM 707 O ARG A 46 -0.959 11.540 -1.537 1.00 21.54 O ATOM 708 CB ARG A 46 0.392 9.052 -1.869 1.00 21.51 C ATOM 709 CG ARG A 46 1.597 9.653 -1.149 1.00 23.12 C ATOM 710 CD ARG A 46 2.863 9.624 -1.999 1.00 34.11 C ATOM 711 NE ARG A 46 3.987 10.276 -1.322 1.00 62.51 N ATOM 712 CZ ARG A 46 4.936 10.936 -1.935 1.00 11.05 C ATOM 713 NH1 ARG A 46 4.960 11.016 -3.224 1.00 54.33 N ATOM 714 NH2 ARG A 46 5.877 11.507 -1.258 1.00 64.43 N ATOM 0 H ARG A 46 -1.911 8.620 -2.848 1.00 42.05 H new ATOM 0 HA ARG A 46 -0.830 8.606 -0.149 1.00 61.30 H new ATOM 0 HB2 ARG A 46 0.589 8.000 -2.073 1.00 21.51 H new ATOM 0 HB3 ARG A 46 0.271 9.546 -2.833 1.00 21.51 H new ATOM 0 HG2 ARG A 46 1.373 10.683 -0.872 1.00 23.12 H new ATOM 0 HG3 ARG A 46 1.773 9.105 -0.223 1.00 23.12 H new ATOM 0 HD2 ARG A 46 3.125 8.591 -2.226 1.00 34.11 H new ATOM 0 HD3 ARG A 46 2.674 10.121 -2.950 1.00 34.11 H new ATOM 0 HE ARG A 46 4.033 10.211 -0.305 1.00 62.51 H new ATOM 0 HH11 ARG A 46 4.233 10.561 -3.777 1.00 54.33 H new ATOM 0 HH12 ARG A 46 5.706 11.534 -3.689 1.00 54.33 H new ATOM 0 HH21 ARG A 46 5.883 11.445 -0.240 1.00 64.43 H new ATOM 0 HH22 ARG A 46 6.614 12.020 -1.742 1.00 64.43 H new ATOM 728 N LYS A 47 -1.670 10.891 0.494 1.00 21.22 N ATOM 729 CA LYS A 47 -1.924 12.260 0.958 1.00 51.20 C ATOM 730 C LYS A 47 -0.737 12.818 1.754 1.00 62.53 C ATOM 731 O LYS A 47 -0.206 12.163 2.654 1.00 32.24 O ATOM 732 CB LYS A 47 -3.196 12.312 1.812 1.00 45.03 C ATOM 733 CG LYS A 47 -4.478 12.112 1.014 1.00 62.04 C ATOM 734 CD LYS A 47 -5.720 12.224 1.897 1.00 12.24 C ATOM 735 CE LYS A 47 -7.002 12.189 1.076 1.00 44.43 C ATOM 736 NZ LYS A 47 -7.139 13.388 0.207 1.00 22.01 N ATOM 0 H LYS A 47 -1.896 10.166 1.175 1.00 21.22 H new ATOM 0 HA LYS A 47 -2.060 12.883 0.074 1.00 51.20 H new ATOM 0 HB2 LYS A 47 -3.136 11.545 2.584 1.00 45.03 H new ATOM 0 HB3 LYS A 47 -3.242 13.275 2.321 1.00 45.03 H new ATOM 0 HG2 LYS A 47 -4.530 12.855 0.218 1.00 62.04 H new ATOM 0 HG3 LYS A 47 -4.459 11.133 0.536 1.00 62.04 H new ATOM 0 HD2 LYS A 47 -5.728 11.407 2.619 1.00 12.24 H new ATOM 0 HD3 LYS A 47 -5.678 13.152 2.467 1.00 12.24 H new ATOM 0 HE2 LYS A 47 -7.013 11.291 0.459 1.00 44.43 H new ATOM 0 HE3 LYS A 47 -7.860 12.126 1.746 1.00 44.43 H new ATOM 0 HZ1 LYS A 47 -8.114 13.448 -0.150 1.00 22.01 H new ATOM 0 HZ2 LYS A 47 -6.919 14.243 0.757 1.00 22.01 H new ATOM 0 HZ3 LYS A 47 -6.480 13.313 -0.594 1.00 22.01 H new ATOM 750 N ILE A 48 -0.325 14.037 1.411 1.00 54.41 N ATOM 751 CA ILE A 48 0.798 14.694 2.088 1.00 73.01 C ATOM 752 C ILE A 48 0.630 16.230 2.080 1.00 71.53 C ATOM 753 O ILE A 48 1.588 16.987 2.244 1.00 24.22 O ATOM 754 CB ILE A 48 2.144 14.277 1.426 1.00 64.20 C ATOM 755 CG1 ILE A 48 3.344 14.691 2.301 1.00 65.33 C ATOM 756 CG2 ILE A 48 2.258 14.863 0.017 1.00 41.40 C ATOM 757 CD1 ILE A 48 4.686 14.222 1.767 1.00 34.21 C ATOM 0 H ILE A 48 -0.750 14.592 0.668 1.00 54.41 H new ATOM 0 HA ILE A 48 0.809 14.369 3.128 1.00 73.01 H new ATOM 0 HB ILE A 48 2.158 13.190 1.341 1.00 64.20 H new ATOM 0 HG12 ILE A 48 3.359 15.777 2.390 1.00 65.33 H new ATOM 0 HG13 ILE A 48 3.204 14.291 3.305 1.00 65.33 H new ATOM 0 HG21 ILE A 48 3.206 14.560 -0.428 1.00 41.40 H new ATOM 0 HG22 ILE A 48 1.435 14.497 -0.597 1.00 41.40 H new ATOM 0 HG23 ILE A 48 2.214 15.951 0.071 1.00 41.40 H new ATOM 0 HD11 ILE A 48 5.480 14.552 2.437 1.00 34.21 H new ATOM 0 HD12 ILE A 48 4.693 13.134 1.705 1.00 34.21 H new ATOM 0 HD13 ILE A 48 4.850 14.643 0.775 1.00 34.21 H new ATOM 769 N GLY A 49 -0.612 16.682 1.904 1.00 54.13 N ATOM 770 CA GLY A 49 -0.908 18.112 1.926 1.00 10.42 C ATOM 771 C GLY A 49 -1.090 18.719 0.537 1.00 64.10 C ATOM 772 O GLY A 49 -2.161 19.237 0.208 1.00 43.55 O ATOM 0 H GLY A 49 -1.422 16.083 1.746 1.00 54.13 H new ATOM 0 HA2 GLY A 49 -1.815 18.278 2.508 1.00 10.42 H new ATOM 0 HA3 GLY A 49 -0.100 18.634 2.439 1.00 10.42 H new ATOM 776 N ASP A 50 -0.043 18.665 -0.282 1.00 24.53 N ATOM 777 CA ASP A 50 -0.078 19.263 -1.622 1.00 73.31 C ATOM 778 C ASP A 50 -0.745 18.335 -2.658 1.00 31.13 C ATOM 779 O ASP A 50 -1.817 18.644 -3.184 1.00 40.40 O ATOM 780 CB ASP A 50 1.342 19.620 -2.070 1.00 34.44 C ATOM 781 CG ASP A 50 2.034 20.544 -1.084 1.00 73.22 C ATOM 782 OD1 ASP A 50 1.727 21.753 -1.075 1.00 61.32 O ATOM 783 OD2 ASP A 50 2.879 20.063 -0.301 1.00 42.22 O ATOM 0 H ASP A 50 0.841 18.215 -0.046 1.00 24.53 H new ATOM 0 HA ASP A 50 -0.683 20.168 -1.562 1.00 73.31 H new ATOM 0 HB2 ASP A 50 1.927 18.707 -2.183 1.00 34.44 H new ATOM 0 HB3 ASP A 50 1.304 20.098 -3.049 1.00 34.44 H new ATOM 788 N THR A 51 -0.107 17.203 -2.946 1.00 65.54 N ATOM 789 CA THR A 51 -0.606 16.265 -3.968 1.00 34.41 C ATOM 790 C THR A 51 -1.443 15.132 -3.356 1.00 32.13 C ATOM 791 O THR A 51 -1.534 14.995 -2.133 1.00 61.33 O ATOM 792 CB THR A 51 0.558 15.643 -4.781 1.00 34.34 C ATOM 793 OG1 THR A 51 0.048 14.759 -5.794 1.00 44.33 O ATOM 794 CG2 THR A 51 1.517 14.877 -3.875 1.00 40.32 C ATOM 0 H THR A 51 0.756 16.907 -2.491 1.00 65.54 H new ATOM 0 HA THR A 51 -1.242 16.852 -4.631 1.00 34.41 H new ATOM 0 HB THR A 51 1.103 16.460 -5.254 1.00 34.34 H new ATOM 0 HG1 THR A 51 0.795 14.376 -6.300 1.00 44.33 H new ATOM 0 HG21 THR A 51 2.323 14.452 -4.474 1.00 40.32 H new ATOM 0 HG22 THR A 51 1.936 15.556 -3.132 1.00 40.32 H new ATOM 0 HG23 THR A 51 0.978 14.075 -3.370 1.00 40.32 H new ATOM 802 N SER A 52 -2.046 14.316 -4.223 1.00 24.44 N ATOM 803 CA SER A 52 -2.881 13.183 -3.791 1.00 20.12 C ATOM 804 C SER A 52 -2.750 11.991 -4.754 1.00 51.24 C ATOM 805 O SER A 52 -3.702 11.232 -4.953 1.00 42.30 O ATOM 806 CB SER A 52 -4.356 13.609 -3.689 1.00 12.32 C ATOM 807 OG SER A 52 -4.886 13.989 -4.956 1.00 70.34 O ATOM 0 H SER A 52 -1.973 14.416 -5.235 1.00 24.44 H new ATOM 0 HA SER A 52 -2.528 12.870 -2.808 1.00 20.12 H new ATOM 0 HB2 SER A 52 -4.944 12.787 -3.281 1.00 12.32 H new ATOM 0 HB3 SER A 52 -4.446 14.443 -2.992 1.00 12.32 H new ATOM 0 HG SER A 52 -5.825 14.251 -4.853 1.00 70.34 H new ATOM 813 N VAL A 53 -1.557 11.825 -5.334 1.00 61.25 N ATOM 814 CA VAL A 53 -1.285 10.731 -6.284 1.00 64.04 C ATOM 815 C VAL A 53 -1.753 9.364 -5.741 1.00 13.02 C ATOM 816 O VAL A 53 -1.413 8.968 -4.623 1.00 32.13 O ATOM 817 CB VAL A 53 0.221 10.666 -6.649 1.00 34.44 C ATOM 818 CG1 VAL A 53 1.083 10.525 -5.397 1.00 62.11 C ATOM 819 CG2 VAL A 53 0.498 9.530 -7.637 1.00 70.23 C ATOM 0 H VAL A 53 -0.758 12.436 -5.164 1.00 61.25 H new ATOM 0 HA VAL A 53 -1.857 10.951 -7.185 1.00 64.04 H new ATOM 0 HB VAL A 53 0.488 11.605 -7.135 1.00 34.44 H new ATOM 0 HG11 VAL A 53 2.134 10.482 -5.682 1.00 62.11 H new ATOM 0 HG12 VAL A 53 0.919 11.382 -4.744 1.00 62.11 H new ATOM 0 HG13 VAL A 53 0.812 9.610 -4.870 1.00 62.11 H new ATOM 0 HG21 VAL A 53 1.561 9.507 -7.876 1.00 70.23 H new ATOM 0 HG22 VAL A 53 0.206 8.580 -7.190 1.00 70.23 H new ATOM 0 HG23 VAL A 53 -0.076 9.693 -8.549 1.00 70.23 H new ATOM 829 N SER A 54 -2.544 8.651 -6.540 1.00 31.04 N ATOM 830 CA SER A 54 -3.172 7.399 -6.094 1.00 62.42 C ATOM 831 C SER A 54 -2.660 6.172 -6.860 1.00 34.03 C ATOM 832 O SER A 54 -1.827 6.278 -7.764 1.00 31.11 O ATOM 833 CB SER A 54 -4.696 7.497 -6.245 1.00 63.41 C ATOM 834 OG SER A 54 -5.068 7.709 -7.601 1.00 4.52 O ATOM 0 H SER A 54 -2.768 8.914 -7.500 1.00 31.04 H new ATOM 0 HA SER A 54 -2.902 7.264 -5.047 1.00 62.42 H new ATOM 0 HB2 SER A 54 -5.160 6.582 -5.877 1.00 63.41 H new ATOM 0 HB3 SER A 54 -5.073 8.314 -5.630 1.00 63.41 H new ATOM 0 HG SER A 54 -6.044 7.766 -7.667 1.00 4.52 H new ATOM 840 N TYR A 55 -3.158 5.003 -6.467 1.00 53.20 N ATOM 841 CA TYR A 55 -2.837 3.744 -7.141 1.00 24.00 C ATOM 842 C TYR A 55 -3.968 2.720 -6.972 1.00 14.11 C ATOM 843 O TYR A 55 -4.180 2.193 -5.880 1.00 24.25 O ATOM 844 CB TYR A 55 -1.525 3.160 -6.593 1.00 60.22 C ATOM 845 CG TYR A 55 -1.217 1.756 -7.096 1.00 62.44 C ATOM 846 CD1 TYR A 55 -0.821 1.536 -8.411 1.00 14.20 C ATOM 847 CD2 TYR A 55 -1.325 0.651 -6.252 1.00 53.24 C ATOM 848 CE1 TYR A 55 -0.545 0.261 -8.871 1.00 14.20 C ATOM 849 CE2 TYR A 55 -1.049 -0.626 -6.707 1.00 13.33 C ATOM 850 CZ TYR A 55 -0.660 -0.816 -8.015 1.00 24.13 C ATOM 851 OH TYR A 55 -0.392 -2.089 -8.472 1.00 64.31 O ATOM 0 H TYR A 55 -3.793 4.899 -5.676 1.00 53.20 H new ATOM 0 HA TYR A 55 -2.719 3.958 -8.203 1.00 24.00 H new ATOM 0 HB2 TYR A 55 -0.703 3.821 -6.865 1.00 60.22 H new ATOM 0 HB3 TYR A 55 -1.573 3.143 -5.504 1.00 60.22 H new ATOM 0 HD1 TYR A 55 -0.727 2.375 -9.085 1.00 14.20 H new ATOM 0 HD2 TYR A 55 -1.629 0.795 -5.226 1.00 53.24 H new ATOM 0 HE1 TYR A 55 -0.241 0.109 -9.896 1.00 14.20 H new ATOM 0 HE2 TYR A 55 -1.138 -1.470 -6.040 1.00 13.33 H new ATOM 0 HH TYR A 55 0.569 -2.181 -8.639 1.00 64.31 H new ATOM 861 N LYS A 56 -4.701 2.451 -8.048 1.00 63.34 N ATOM 862 CA LYS A 56 -5.713 1.392 -8.040 1.00 62.43 C ATOM 863 C LYS A 56 -5.034 0.021 -8.201 1.00 54.53 C ATOM 864 O LYS A 56 -4.333 -0.225 -9.187 1.00 44.33 O ATOM 865 CB LYS A 56 -6.744 1.625 -9.154 1.00 31.44 C ATOM 866 CG LYS A 56 -7.847 0.570 -9.209 1.00 33.34 C ATOM 867 CD LYS A 56 -8.857 0.832 -10.332 1.00 23.34 C ATOM 868 CE LYS A 56 -9.850 1.950 -9.998 1.00 53.13 C ATOM 869 NZ LYS A 56 -9.217 3.296 -9.931 1.00 43.32 N ATOM 0 H LYS A 56 -4.616 2.948 -8.935 1.00 63.34 H new ATOM 0 HA LYS A 56 -6.239 1.411 -7.086 1.00 62.43 H new ATOM 0 HB2 LYS A 56 -7.200 2.605 -9.014 1.00 31.44 H new ATOM 0 HB3 LYS A 56 -6.228 1.647 -10.114 1.00 31.44 H new ATOM 0 HG2 LYS A 56 -7.398 -0.413 -9.351 1.00 33.34 H new ATOM 0 HG3 LYS A 56 -8.370 0.546 -8.253 1.00 33.34 H new ATOM 0 HD2 LYS A 56 -8.319 1.093 -11.243 1.00 23.34 H new ATOM 0 HD3 LYS A 56 -9.408 -0.086 -10.539 1.00 23.34 H new ATOM 0 HE2 LYS A 56 -10.639 1.964 -10.750 1.00 53.13 H new ATOM 0 HE3 LYS A 56 -10.325 1.731 -9.042 1.00 53.13 H new ATOM 0 HZ1 LYS A 56 -9.889 4.013 -10.273 1.00 43.32 H new ATOM 0 HZ2 LYS A 56 -8.955 3.508 -8.947 1.00 43.32 H new ATOM 0 HZ3 LYS A 56 -8.364 3.309 -10.526 1.00 43.32 H new ATOM 883 N TYR A 57 -5.235 -0.859 -7.225 1.00 4.13 N ATOM 884 CA TYR A 57 -4.524 -2.142 -7.172 1.00 64.42 C ATOM 885 C TYR A 57 -4.955 -3.110 -8.283 1.00 2.51 C ATOM 886 O TYR A 57 -6.137 -3.438 -8.428 1.00 1.43 O ATOM 887 CB TYR A 57 -4.722 -2.797 -5.799 1.00 43.42 C ATOM 888 CG TYR A 57 -4.017 -2.062 -4.673 1.00 20.14 C ATOM 889 CD1 TYR A 57 -4.544 -0.891 -4.138 1.00 61.23 C ATOM 890 CD2 TYR A 57 -2.819 -2.536 -4.150 1.00 10.24 C ATOM 891 CE1 TYR A 57 -3.900 -0.220 -3.117 1.00 73.32 C ATOM 892 CE2 TYR A 57 -2.173 -1.868 -3.130 1.00 53.50 C ATOM 893 CZ TYR A 57 -2.715 -0.711 -2.619 1.00 25.41 C ATOM 894 OH TYR A 57 -2.068 -0.044 -1.606 1.00 22.03 O ATOM 0 H TYR A 57 -5.887 -0.710 -6.454 1.00 4.13 H new ATOM 0 HA TYR A 57 -3.468 -1.925 -7.332 1.00 64.42 H new ATOM 0 HB2 TYR A 57 -5.788 -2.847 -5.579 1.00 43.42 H new ATOM 0 HB3 TYR A 57 -4.356 -3.823 -5.838 1.00 43.42 H new ATOM 0 HD1 TYR A 57 -5.472 -0.500 -4.528 1.00 61.23 H new ATOM 0 HD2 TYR A 57 -2.387 -3.442 -4.549 1.00 10.24 H new ATOM 0 HE1 TYR A 57 -4.325 0.686 -2.711 1.00 73.32 H new ATOM 0 HE2 TYR A 57 -1.245 -2.252 -2.734 1.00 53.50 H new ATOM 0 HH TYR A 57 -1.247 -0.524 -1.370 1.00 22.03 H new ATOM 904 N THR A 58 -3.978 -3.573 -9.059 1.00 11.44 N ATOM 905 CA THR A 58 -4.223 -4.565 -10.112 1.00 12.31 C ATOM 906 C THR A 58 -4.508 -5.957 -9.519 1.00 11.44 C ATOM 907 O THR A 58 -3.608 -6.784 -9.356 1.00 4.44 O ATOM 908 CB THR A 58 -3.038 -4.643 -11.112 1.00 24.55 C ATOM 909 OG1 THR A 58 -3.224 -5.727 -12.038 1.00 11.11 O ATOM 910 CG2 THR A 58 -1.699 -4.808 -10.394 1.00 53.32 C ATOM 0 H THR A 58 -3.005 -3.278 -8.981 1.00 11.44 H new ATOM 0 HA THR A 58 -5.108 -4.235 -10.657 1.00 12.31 H new ATOM 0 HB THR A 58 -3.019 -3.700 -11.658 1.00 24.55 H new ATOM 0 HG1 THR A 58 -2.468 -5.759 -12.661 1.00 11.11 H new ATOM 0 HG21 THR A 58 -0.896 -4.859 -11.129 1.00 53.32 H new ATOM 0 HG22 THR A 58 -1.533 -3.957 -9.733 1.00 53.32 H new ATOM 0 HG23 THR A 58 -1.712 -5.726 -9.807 1.00 53.32 H new ATOM 918 N SER A 59 -5.772 -6.198 -9.168 1.00 23.51 N ATOM 919 CA SER A 59 -6.189 -7.483 -8.582 1.00 33.41 C ATOM 920 C SER A 59 -6.182 -8.602 -9.634 1.00 4.13 C ATOM 921 O SER A 59 -7.233 -9.063 -10.089 1.00 41.50 O ATOM 922 CB SER A 59 -7.582 -7.359 -7.946 1.00 4.55 C ATOM 923 OG SER A 59 -7.990 -8.579 -7.338 1.00 52.51 O ATOM 0 H SER A 59 -6.529 -5.523 -9.277 1.00 23.51 H new ATOM 0 HA SER A 59 -5.470 -7.744 -7.805 1.00 33.41 H new ATOM 0 HB2 SER A 59 -7.572 -6.565 -7.199 1.00 4.55 H new ATOM 0 HB3 SER A 59 -8.306 -7.071 -8.708 1.00 4.55 H new ATOM 0 HG SER A 59 -8.939 -8.524 -7.098 1.00 52.51 H new ATOM 929 N ARG A 60 -4.981 -9.022 -10.025 1.00 10.14 N ATOM 930 CA ARG A 60 -4.806 -10.054 -11.055 1.00 25.02 C ATOM 931 C ARG A 60 -4.451 -11.423 -10.450 1.00 53.12 C ATOM 932 O ARG A 60 -4.183 -12.378 -11.179 1.00 32.14 O ATOM 933 CB ARG A 60 -3.712 -9.619 -12.046 1.00 15.32 C ATOM 934 CG ARG A 60 -2.404 -9.208 -11.373 1.00 71.33 C ATOM 935 CD ARG A 60 -1.323 -8.854 -12.387 1.00 62.42 C ATOM 936 NE ARG A 60 -0.115 -8.333 -11.742 1.00 21.51 N ATOM 937 CZ ARG A 60 1.107 -8.644 -12.095 1.00 42.34 C ATOM 938 NH1 ARG A 60 1.324 -9.521 -13.023 1.00 22.33 N ATOM 939 NH2 ARG A 60 2.116 -8.090 -11.499 1.00 11.10 N ATOM 0 H ARG A 60 -4.106 -8.663 -9.643 1.00 10.14 H new ATOM 0 HA ARG A 60 -5.757 -10.164 -11.576 1.00 25.02 H new ATOM 0 HB2 ARG A 60 -3.513 -10.438 -12.737 1.00 15.32 H new ATOM 0 HB3 ARG A 60 -4.083 -8.784 -12.640 1.00 15.32 H new ATOM 0 HG2 ARG A 60 -2.585 -8.352 -10.723 1.00 71.33 H new ATOM 0 HG3 ARG A 60 -2.052 -10.021 -10.738 1.00 71.33 H new ATOM 0 HD2 ARG A 60 -1.069 -9.739 -12.971 1.00 62.42 H new ATOM 0 HD3 ARG A 60 -1.710 -8.112 -13.085 1.00 62.42 H new ATOM 0 HE ARG A 60 -0.234 -7.683 -10.965 1.00 21.51 H new ATOM 0 HH11 ARG A 60 0.539 -9.977 -13.487 1.00 22.33 H new ATOM 0 HH12 ARG A 60 2.280 -9.755 -13.290 1.00 22.33 H new ATOM 0 HH21 ARG A 60 1.958 -7.411 -10.754 1.00 11.10 H new ATOM 0 HH22 ARG A 60 3.067 -8.333 -11.775 1.00 11.10 H new ATOM 953 N TYR A 61 -4.458 -11.513 -9.118 1.00 73.20 N ATOM 954 CA TYR A 61 -4.140 -12.768 -8.420 1.00 4.22 C ATOM 955 C TYR A 61 -4.716 -12.782 -6.992 1.00 74.35 C ATOM 956 O TYR A 61 -5.127 -11.744 -6.464 1.00 22.13 O ATOM 957 CB TYR A 61 -2.617 -12.998 -8.384 1.00 20.43 C ATOM 958 CG TYR A 61 -1.832 -11.913 -7.664 1.00 44.42 C ATOM 959 CD1 TYR A 61 -1.413 -10.770 -8.335 1.00 22.52 C ATOM 960 CD2 TYR A 61 -1.503 -12.038 -6.315 1.00 0.04 C ATOM 961 CE1 TYR A 61 -0.694 -9.784 -7.689 1.00 25.13 C ATOM 962 CE2 TYR A 61 -0.783 -11.054 -5.661 1.00 14.22 C ATOM 963 CZ TYR A 61 -0.381 -9.930 -6.353 1.00 4.40 C ATOM 964 OH TYR A 61 0.334 -8.945 -5.709 1.00 42.12 O ATOM 0 H TYR A 61 -4.680 -10.734 -8.498 1.00 73.20 H new ATOM 0 HA TYR A 61 -4.606 -13.581 -8.977 1.00 4.22 H new ATOM 0 HB2 TYR A 61 -2.418 -13.954 -7.900 1.00 20.43 H new ATOM 0 HB3 TYR A 61 -2.250 -13.076 -9.407 1.00 20.43 H new ATOM 0 HD1 TYR A 61 -1.654 -10.651 -9.381 1.00 22.52 H new ATOM 0 HD2 TYR A 61 -1.815 -12.917 -5.771 1.00 0.04 H new ATOM 0 HE1 TYR A 61 -0.378 -8.902 -8.227 1.00 25.13 H new ATOM 0 HE2 TYR A 61 -0.537 -11.165 -4.615 1.00 14.22 H new ATOM 0 HH TYR A 61 0.471 -9.199 -4.773 1.00 42.12 H new ATOM 974 N VAL A 62 -4.751 -13.963 -6.379 1.00 23.30 N ATOM 975 CA VAL A 62 -5.250 -14.119 -5.007 1.00 32.44 C ATOM 976 C VAL A 62 -4.133 -13.922 -3.967 1.00 43.40 C ATOM 977 O VAL A 62 -2.985 -14.326 -4.180 1.00 32.33 O ATOM 978 CB VAL A 62 -5.907 -15.508 -4.798 1.00 15.23 C ATOM 979 CG1 VAL A 62 -7.133 -15.668 -5.697 1.00 53.13 C ATOM 980 CG2 VAL A 62 -4.901 -16.633 -5.051 1.00 25.43 C ATOM 0 H VAL A 62 -4.439 -14.833 -6.810 1.00 23.30 H new ATOM 0 HA VAL A 62 -6.002 -13.344 -4.862 1.00 32.44 H new ATOM 0 HB VAL A 62 -6.233 -15.573 -3.760 1.00 15.23 H new ATOM 0 HG11 VAL A 62 -7.578 -16.650 -5.534 1.00 53.13 H new ATOM 0 HG12 VAL A 62 -7.863 -14.894 -5.458 1.00 53.13 H new ATOM 0 HG13 VAL A 62 -6.833 -15.574 -6.741 1.00 53.13 H new ATOM 0 HG21 VAL A 62 -5.387 -17.597 -4.898 1.00 25.43 H new ATOM 0 HG22 VAL A 62 -4.535 -16.570 -6.076 1.00 25.43 H new ATOM 0 HG23 VAL A 62 -4.064 -16.535 -4.360 1.00 25.43 H new ATOM 990 N LEU A 63 -4.482 -13.309 -2.840 1.00 31.24 N ATOM 991 CA LEU A 63 -3.516 -13.011 -1.776 1.00 43.32 C ATOM 992 C LEU A 63 -3.753 -13.910 -0.544 1.00 64.15 C ATOM 993 O LEU A 63 -4.852 -13.945 0.019 1.00 64.23 O ATOM 994 CB LEU A 63 -3.619 -11.527 -1.385 1.00 60.32 C ATOM 995 CG LEU A 63 -2.439 -10.975 -0.568 1.00 5.31 C ATOM 996 CD1 LEU A 63 -1.144 -11.051 -1.373 1.00 24.14 C ATOM 997 CD2 LEU A 63 -2.713 -9.539 -0.127 1.00 45.43 C ATOM 0 H LEU A 63 -5.434 -13.005 -2.635 1.00 31.24 H new ATOM 0 HA LEU A 63 -2.513 -13.216 -2.150 1.00 43.32 H new ATOM 0 HB2 LEU A 63 -3.717 -10.935 -2.295 1.00 60.32 H new ATOM 0 HB3 LEU A 63 -4.535 -11.383 -0.811 1.00 60.32 H new ATOM 0 HG LEU A 63 -2.325 -11.591 0.324 1.00 5.31 H new ATOM 0 HD11 LEU A 63 -0.321 -10.656 -0.777 1.00 24.14 H new ATOM 0 HD12 LEU A 63 -0.938 -12.089 -1.633 1.00 24.14 H new ATOM 0 HD13 LEU A 63 -1.247 -10.462 -2.285 1.00 24.14 H new ATOM 0 HD21 LEU A 63 -1.866 -9.168 0.450 1.00 45.43 H new ATOM 0 HD22 LEU A 63 -2.858 -8.910 -1.005 1.00 45.43 H new ATOM 0 HD23 LEU A 63 -3.611 -9.513 0.490 1.00 45.43 H new ATOM 1009 N LYS A 64 -2.712 -14.629 -0.127 1.00 31.40 N ATOM 1010 CA LYS A 64 -2.809 -15.575 0.997 1.00 43.41 C ATOM 1011 C LYS A 64 -3.060 -14.871 2.345 1.00 32.13 C ATOM 1012 O LYS A 64 -2.879 -13.657 2.478 1.00 53.24 O ATOM 1013 CB LYS A 64 -1.527 -16.417 1.078 1.00 4.21 C ATOM 1014 CG LYS A 64 -1.243 -17.220 -0.188 1.00 31.24 C ATOM 1015 CD LYS A 64 0.091 -17.955 -0.110 1.00 11.32 C ATOM 1016 CE LYS A 64 0.377 -18.749 -1.381 1.00 73.11 C ATOM 1017 NZ LYS A 64 0.448 -17.880 -2.587 1.00 70.00 N ATOM 0 H LYS A 64 -1.785 -14.578 -0.549 1.00 31.40 H new ATOM 0 HA LYS A 64 -3.669 -16.217 0.806 1.00 43.41 H new ATOM 0 HB2 LYS A 64 -0.682 -15.758 1.278 1.00 4.21 H new ATOM 0 HB3 LYS A 64 -1.605 -17.101 1.923 1.00 4.21 H new ATOM 0 HG2 LYS A 64 -2.045 -17.940 -0.348 1.00 31.24 H new ATOM 0 HG3 LYS A 64 -1.239 -16.551 -1.049 1.00 31.24 H new ATOM 0 HD2 LYS A 64 0.893 -17.236 0.057 1.00 11.32 H new ATOM 0 HD3 LYS A 64 0.084 -18.630 0.746 1.00 11.32 H new ATOM 0 HE2 LYS A 64 1.319 -19.286 -1.267 1.00 73.11 H new ATOM 0 HE3 LYS A 64 -0.402 -19.498 -1.521 1.00 73.11 H new ATOM 0 HZ1 LYS A 64 0.824 -18.427 -3.387 1.00 70.00 H new ATOM 0 HZ2 LYS A 64 -0.504 -17.533 -2.822 1.00 70.00 H new ATOM 0 HZ3 LYS A 64 1.073 -17.071 -2.396 1.00 70.00 H new ATOM 1031 N ALA A 65 -3.467 -15.648 3.347 1.00 64.23 N ATOM 1032 CA ALA A 65 -3.746 -15.111 4.685 1.00 61.13 C ATOM 1033 C ALA A 65 -2.456 -14.668 5.392 1.00 20.40 C ATOM 1034 O ALA A 65 -1.515 -15.447 5.543 1.00 51.45 O ATOM 1035 CB ALA A 65 -4.484 -16.150 5.522 1.00 41.25 C ATOM 0 H ALA A 65 -3.612 -16.654 3.261 1.00 64.23 H new ATOM 0 HA ALA A 65 -4.379 -14.231 4.571 1.00 61.13 H new ATOM 0 HB1 ALA A 65 -4.686 -15.742 6.512 1.00 41.25 H new ATOM 0 HB2 ALA A 65 -5.425 -16.407 5.036 1.00 41.25 H new ATOM 0 HB3 ALA A 65 -3.869 -17.045 5.617 1.00 41.25 H new ATOM 1041 N GLY A 66 -2.419 -13.407 5.821 1.00 45.31 N ATOM 1042 CA GLY A 66 -1.232 -12.862 6.473 1.00 61.33 C ATOM 1043 C GLY A 66 -0.105 -12.541 5.496 1.00 2.02 C ATOM 1044 O GLY A 66 1.003 -12.193 5.909 1.00 42.23 O ATOM 0 H GLY A 66 -3.192 -12.748 5.729 1.00 45.31 H new ATOM 0 HA2 GLY A 66 -1.506 -11.955 7.013 1.00 61.33 H new ATOM 0 HA3 GLY A 66 -0.871 -13.577 7.212 1.00 61.33 H new ATOM 1048 N GLN A 67 -0.387 -12.647 4.197 1.00 10.11 N ATOM 1049 CA GLN A 67 0.622 -12.405 3.161 1.00 44.45 C ATOM 1050 C GLN A 67 0.973 -10.912 3.051 1.00 41.03 C ATOM 1051 O GLN A 67 0.088 -10.053 2.999 1.00 1.11 O ATOM 1052 CB GLN A 67 0.126 -12.929 1.804 1.00 14.32 C ATOM 1053 CG GLN A 67 1.145 -12.793 0.672 1.00 75.03 C ATOM 1054 CD GLN A 67 2.420 -13.585 0.913 1.00 54.44 C ATOM 1055 OE1 GLN A 67 3.495 -13.195 0.477 1.00 64.40 O ATOM 1056 NE2 GLN A 67 2.313 -14.707 1.597 1.00 1.01 N ATOM 0 H GLN A 67 -1.307 -12.899 3.835 1.00 10.11 H new ATOM 0 HA GLN A 67 1.526 -12.942 3.447 1.00 44.45 H new ATOM 0 HB2 GLN A 67 -0.146 -13.979 1.910 1.00 14.32 H new ATOM 0 HB3 GLN A 67 -0.781 -12.391 1.528 1.00 14.32 H new ATOM 0 HG2 GLN A 67 0.689 -13.127 -0.260 1.00 75.03 H new ATOM 0 HG3 GLN A 67 1.398 -11.740 0.544 1.00 75.03 H new ATOM 0 HE21 GLN A 67 1.403 -15.006 1.948 1.00 1.01 H new ATOM 0 HE22 GLN A 67 3.140 -15.276 1.776 1.00 1.01 H new ATOM 1065 N THR A 68 2.271 -10.617 3.011 1.00 13.31 N ATOM 1066 CA THR A 68 2.763 -9.237 2.912 1.00 23.24 C ATOM 1067 C THR A 68 3.001 -8.817 1.456 1.00 52.32 C ATOM 1068 O THR A 68 4.024 -9.158 0.858 1.00 33.12 O ATOM 1069 CB THR A 68 4.084 -9.058 3.703 1.00 32.02 C ATOM 1070 OG1 THR A 68 5.059 -10.023 3.270 1.00 20.14 O ATOM 1071 CG2 THR A 68 3.851 -9.208 5.204 1.00 22.05 C ATOM 0 H THR A 68 3.010 -11.320 3.046 1.00 13.31 H new ATOM 0 HA THR A 68 1.988 -8.602 3.340 1.00 23.24 H new ATOM 0 HB THR A 68 4.456 -8.052 3.507 1.00 32.02 H new ATOM 0 HG1 THR A 68 5.011 -10.122 2.296 1.00 20.14 H new ATOM 0 HG21 THR A 68 4.795 -9.078 5.734 1.00 22.05 H new ATOM 0 HG22 THR A 68 3.140 -8.453 5.539 1.00 22.05 H new ATOM 0 HG23 THR A 68 3.452 -10.201 5.413 1.00 22.05 H new ATOM 1079 N VAL A 69 2.046 -8.086 0.884 1.00 23.14 N ATOM 1080 CA VAL A 69 2.184 -7.555 -0.475 1.00 33.32 C ATOM 1081 C VAL A 69 2.740 -6.121 -0.443 1.00 35.22 C ATOM 1082 O VAL A 69 2.096 -5.194 0.054 1.00 32.52 O ATOM 1083 CB VAL A 69 0.836 -7.594 -1.247 1.00 64.34 C ATOM 1084 CG1 VAL A 69 -0.262 -6.834 -0.497 1.00 60.12 C ATOM 1085 CG2 VAL A 69 1.007 -7.045 -2.664 1.00 52.52 C ATOM 0 H VAL A 69 1.166 -7.846 1.340 1.00 23.14 H new ATOM 0 HA VAL A 69 2.889 -8.195 -1.005 1.00 33.32 H new ATOM 0 HB VAL A 69 0.525 -8.636 -1.318 1.00 64.34 H new ATOM 0 HG11 VAL A 69 -1.191 -6.882 -1.065 1.00 60.12 H new ATOM 0 HG12 VAL A 69 -0.413 -7.286 0.483 1.00 60.12 H new ATOM 0 HG13 VAL A 69 0.035 -5.792 -0.374 1.00 60.12 H new ATOM 0 HG21 VAL A 69 0.051 -7.082 -3.186 1.00 52.52 H new ATOM 0 HG22 VAL A 69 1.354 -6.013 -2.615 1.00 52.52 H new ATOM 0 HG23 VAL A 69 1.738 -7.648 -3.202 1.00 52.52 H new ATOM 1095 N THR A 70 3.952 -5.944 -0.957 1.00 13.32 N ATOM 1096 CA THR A 70 4.644 -4.652 -0.875 1.00 51.12 C ATOM 1097 C THR A 70 4.532 -3.857 -2.180 1.00 41.22 C ATOM 1098 O THR A 70 4.764 -4.388 -3.268 1.00 31.54 O ATOM 1099 CB THR A 70 6.140 -4.846 -0.538 1.00 43.04 C ATOM 1100 OG1 THR A 70 6.278 -5.714 0.594 1.00 53.45 O ATOM 1101 CG2 THR A 70 6.821 -3.516 -0.240 1.00 11.13 C ATOM 0 H THR A 70 4.479 -6.674 -1.435 1.00 13.32 H new ATOM 0 HA THR A 70 4.155 -4.090 -0.079 1.00 51.12 H new ATOM 0 HB THR A 70 6.622 -5.291 -1.408 1.00 43.04 H new ATOM 0 HG1 THR A 70 7.033 -6.322 0.450 1.00 53.45 H new ATOM 0 HG21 THR A 70 7.872 -3.689 -0.007 1.00 11.13 H new ATOM 0 HG22 THR A 70 6.745 -2.865 -1.111 1.00 11.13 H new ATOM 0 HG23 THR A 70 6.334 -3.041 0.612 1.00 11.13 H new ATOM 1109 N ILE A 71 4.170 -2.583 -2.060 1.00 51.44 N ATOM 1110 CA ILE A 71 4.089 -1.682 -3.214 1.00 10.11 C ATOM 1111 C ILE A 71 5.407 -0.911 -3.407 1.00 32.14 C ATOM 1112 O ILE A 71 5.672 0.072 -2.715 1.00 71.11 O ATOM 1113 CB ILE A 71 2.919 -0.675 -3.057 1.00 65.23 C ATOM 1114 CG1 ILE A 71 1.601 -1.418 -2.780 1.00 53.24 C ATOM 1115 CG2 ILE A 71 2.790 0.201 -4.302 1.00 20.45 C ATOM 1116 CD1 ILE A 71 1.205 -2.401 -3.863 1.00 44.41 C ATOM 0 H ILE A 71 3.926 -2.146 -1.171 1.00 51.44 H new ATOM 0 HA ILE A 71 3.907 -2.299 -4.094 1.00 10.11 H new ATOM 0 HB ILE A 71 3.136 -0.029 -2.206 1.00 65.23 H new ATOM 0 HG12 ILE A 71 1.690 -1.952 -1.834 1.00 53.24 H new ATOM 0 HG13 ILE A 71 0.802 -0.686 -2.659 1.00 53.24 H new ATOM 0 HG21 ILE A 71 1.964 0.900 -4.171 1.00 20.45 H new ATOM 0 HG22 ILE A 71 3.715 0.757 -4.453 1.00 20.45 H new ATOM 0 HG23 ILE A 71 2.599 -0.428 -5.171 1.00 20.45 H new ATOM 0 HD11 ILE A 71 0.266 -2.882 -3.592 1.00 44.41 H new ATOM 0 HD12 ILE A 71 1.082 -1.871 -4.808 1.00 44.41 H new ATOM 0 HD13 ILE A 71 1.983 -3.157 -3.970 1.00 44.41 H new ATOM 1128 N TRP A 72 6.235 -1.376 -4.339 1.00 53.52 N ATOM 1129 CA TRP A 72 7.543 -0.758 -4.604 1.00 62.14 C ATOM 1130 C TRP A 72 7.430 0.339 -5.676 1.00 70.45 C ATOM 1131 O TRP A 72 7.018 0.067 -6.796 1.00 20.04 O ATOM 1132 CB TRP A 72 8.545 -1.827 -5.074 1.00 13.32 C ATOM 1133 CG TRP A 72 8.769 -2.944 -4.088 1.00 34.41 C ATOM 1134 CD1 TRP A 72 7.953 -4.016 -3.864 1.00 42.43 C ATOM 1135 CD2 TRP A 72 9.888 -3.103 -3.207 1.00 13.35 C ATOM 1136 NE1 TRP A 72 8.493 -4.826 -2.892 1.00 40.33 N ATOM 1137 CE2 TRP A 72 9.679 -4.288 -2.475 1.00 71.20 C ATOM 1138 CE3 TRP A 72 11.045 -2.357 -2.965 1.00 30.34 C ATOM 1139 CZ2 TRP A 72 10.584 -4.744 -1.519 1.00 62.33 C ATOM 1140 CZ3 TRP A 72 11.943 -2.812 -2.015 1.00 44.03 C ATOM 1141 CH2 TRP A 72 11.708 -3.996 -1.304 1.00 4.22 C ATOM 0 H TRP A 72 6.027 -2.182 -4.929 1.00 53.52 H new ATOM 0 HA TRP A 72 7.894 -0.305 -3.677 1.00 62.14 H new ATOM 0 HB2 TRP A 72 8.190 -2.253 -6.013 1.00 13.32 H new ATOM 0 HB3 TRP A 72 9.500 -1.346 -5.283 1.00 13.32 H new ATOM 0 HD1 TRP A 72 7.020 -4.201 -4.375 1.00 42.43 H new ATOM 0 HE1 TRP A 72 8.076 -5.688 -2.540 1.00 40.33 H new ATOM 0 HE3 TRP A 72 11.235 -1.443 -3.509 1.00 30.34 H new ATOM 0 HZ2 TRP A 72 10.404 -5.655 -0.968 1.00 62.33 H new ATOM 0 HZ3 TRP A 72 12.841 -2.244 -1.818 1.00 44.03 H new ATOM 0 HH2 TRP A 72 12.430 -4.325 -0.571 1.00 4.22 H new ATOM 1152 N ALA A 73 7.792 1.573 -5.335 1.00 32.14 N ATOM 1153 CA ALA A 73 7.746 2.688 -6.297 1.00 1.34 C ATOM 1154 C ALA A 73 8.557 2.384 -7.571 1.00 70.00 C ATOM 1155 O ALA A 73 9.512 1.606 -7.538 1.00 52.41 O ATOM 1156 CB ALA A 73 8.254 3.968 -5.644 1.00 2.53 C ATOM 0 H ALA A 73 8.120 1.833 -4.405 1.00 32.14 H new ATOM 0 HA ALA A 73 6.706 2.821 -6.594 1.00 1.34 H new ATOM 0 HB1 ALA A 73 8.215 4.785 -6.365 1.00 2.53 H new ATOM 0 HB2 ALA A 73 7.628 4.212 -4.786 1.00 2.53 H new ATOM 0 HB3 ALA A 73 9.283 3.824 -5.314 1.00 2.53 H new ATOM 1162 N ALA A 74 8.177 3.016 -8.686 1.00 61.22 N ATOM 1163 CA ALA A 74 8.810 2.770 -9.994 1.00 21.51 C ATOM 1164 C ALA A 74 10.349 2.710 -9.916 1.00 24.13 C ATOM 1165 O ALA A 74 10.978 1.852 -10.530 1.00 4.23 O ATOM 1166 CB ALA A 74 8.378 3.844 -10.989 1.00 75.32 C ATOM 0 H ALA A 74 7.428 3.708 -8.712 1.00 61.22 H new ATOM 0 HA ALA A 74 8.473 1.790 -10.331 1.00 21.51 H new ATOM 0 HB1 ALA A 74 8.849 3.657 -11.954 1.00 75.32 H new ATOM 0 HB2 ALA A 74 7.294 3.819 -11.103 1.00 75.32 H new ATOM 0 HB3 ALA A 74 8.682 4.824 -10.621 1.00 75.32 H new ATOM 1172 N ASN A 75 10.949 3.623 -9.154 1.00 20.41 N ATOM 1173 CA ASN A 75 12.413 3.686 -9.017 1.00 11.21 C ATOM 1174 C ASN A 75 12.912 2.895 -7.790 1.00 70.22 C ATOM 1175 O ASN A 75 13.786 3.352 -7.050 1.00 23.55 O ATOM 1176 CB ASN A 75 12.871 5.152 -8.939 1.00 54.52 C ATOM 1177 CG ASN A 75 12.814 5.872 -10.283 1.00 10.00 C ATOM 1178 OD1 ASN A 75 13.563 6.810 -10.529 1.00 34.21 O ATOM 1179 ND2 ASN A 75 11.939 5.438 -11.172 1.00 52.32 N ATOM 0 H ASN A 75 10.448 4.332 -8.619 1.00 20.41 H new ATOM 0 HA ASN A 75 12.851 3.220 -9.900 1.00 11.21 H new ATOM 0 HB2 ASN A 75 12.245 5.684 -8.222 1.00 54.52 H new ATOM 0 HB3 ASN A 75 13.892 5.187 -8.558 1.00 54.52 H new ATOM 0 HD21 ASN A 75 11.876 5.886 -12.086 1.00 52.32 H new ATOM 0 HD22 ASN A 75 11.326 4.655 -10.944 1.00 52.32 H new ATOM 1186 N ALA A 76 12.358 1.699 -7.584 1.00 23.14 N ATOM 1187 CA ALA A 76 12.817 0.809 -6.509 1.00 62.02 C ATOM 1188 C ALA A 76 13.836 -0.222 -7.021 1.00 63.54 C ATOM 1189 O ALA A 76 14.384 -1.006 -6.245 1.00 31.53 O ATOM 1190 CB ALA A 76 11.631 0.104 -5.864 1.00 72.13 C ATOM 0 H ALA A 76 11.593 1.323 -8.144 1.00 23.14 H new ATOM 0 HA ALA A 76 13.317 1.425 -5.761 1.00 62.02 H new ATOM 0 HB1 ALA A 76 11.986 -0.552 -5.069 1.00 72.13 H new ATOM 0 HB2 ALA A 76 10.951 0.846 -5.445 1.00 72.13 H new ATOM 0 HB3 ALA A 76 11.106 -0.487 -6.615 1.00 72.13 H new ATOM 1196 N GLY A 77 14.080 -0.225 -8.332 1.00 53.00 N ATOM 1197 CA GLY A 77 15.048 -1.147 -8.923 1.00 35.21 C ATOM 1198 C GLY A 77 14.446 -2.497 -9.313 1.00 62.13 C ATOM 1199 O GLY A 77 14.635 -2.968 -10.437 1.00 50.51 O ATOM 0 H GLY A 77 13.624 0.396 -9.000 1.00 53.00 H new ATOM 0 HA2 GLY A 77 15.485 -0.684 -9.808 1.00 35.21 H new ATOM 0 HA3 GLY A 77 15.860 -1.311 -8.215 1.00 35.21 H new ATOM 1203 N VAL A 78 13.720 -3.117 -8.381 1.00 34.35 N ATOM 1204 CA VAL A 78 13.083 -4.425 -8.610 1.00 74.22 C ATOM 1205 C VAL A 78 12.171 -4.414 -9.856 1.00 11.14 C ATOM 1206 O VAL A 78 11.559 -3.394 -10.178 1.00 0.34 O ATOM 1207 CB VAL A 78 12.251 -4.858 -7.371 1.00 41.14 C ATOM 1208 CG1 VAL A 78 11.630 -6.241 -7.573 1.00 2.42 C ATOM 1209 CG2 VAL A 78 13.113 -4.829 -6.106 1.00 51.40 C ATOM 0 H VAL A 78 13.555 -2.734 -7.450 1.00 34.35 H new ATOM 0 HA VAL A 78 13.888 -5.140 -8.779 1.00 74.22 H new ATOM 0 HB VAL A 78 11.436 -4.144 -7.250 1.00 41.14 H new ATOM 0 HG11 VAL A 78 11.055 -6.514 -6.688 1.00 2.42 H new ATOM 0 HG12 VAL A 78 10.972 -6.221 -8.442 1.00 2.42 H new ATOM 0 HG13 VAL A 78 12.420 -6.975 -7.733 1.00 2.42 H new ATOM 0 HG21 VAL A 78 12.513 -5.135 -5.249 1.00 51.40 H new ATOM 0 HG22 VAL A 78 13.954 -5.513 -6.223 1.00 51.40 H new ATOM 0 HG23 VAL A 78 13.487 -3.818 -5.944 1.00 51.40 H new ATOM 1219 N THR A 79 12.101 -5.549 -10.560 1.00 72.44 N ATOM 1220 CA THR A 79 11.247 -5.680 -11.754 1.00 63.52 C ATOM 1221 C THR A 79 9.787 -5.309 -11.450 1.00 33.32 C ATOM 1222 O THR A 79 9.205 -5.785 -10.474 1.00 41.50 O ATOM 1223 CB THR A 79 11.296 -7.118 -12.335 1.00 0.42 C ATOM 1224 OG1 THR A 79 12.633 -7.434 -12.753 1.00 61.54 O ATOM 1225 CG2 THR A 79 10.351 -7.278 -13.522 1.00 24.44 C ATOM 0 H THR A 79 12.624 -6.393 -10.326 1.00 72.44 H new ATOM 0 HA THR A 79 11.643 -4.984 -12.493 1.00 63.52 H new ATOM 0 HB THR A 79 10.978 -7.801 -11.547 1.00 0.42 H new ATOM 0 HG1 THR A 79 12.656 -8.344 -13.117 1.00 61.54 H new ATOM 0 HG21 THR A 79 10.413 -8.298 -13.902 1.00 24.44 H new ATOM 0 HG22 THR A 79 9.329 -7.071 -13.204 1.00 24.44 H new ATOM 0 HG23 THR A 79 10.635 -6.580 -14.310 1.00 24.44 H new ATOM 1233 N ALA A 80 9.200 -4.476 -12.313 1.00 1.25 N ATOM 1234 CA ALA A 80 7.847 -3.936 -12.105 1.00 62.10 C ATOM 1235 C ALA A 80 6.785 -5.024 -11.869 1.00 30.35 C ATOM 1236 O ALA A 80 5.752 -4.769 -11.244 1.00 15.00 O ATOM 1237 CB ALA A 80 7.446 -3.057 -13.285 1.00 13.44 C ATOM 0 H ALA A 80 9.644 -4.156 -13.174 1.00 1.25 H new ATOM 0 HA ALA A 80 7.887 -3.340 -11.193 1.00 62.10 H new ATOM 0 HB1 ALA A 80 6.443 -2.663 -13.121 1.00 13.44 H new ATOM 0 HB2 ALA A 80 8.150 -2.230 -13.379 1.00 13.44 H new ATOM 0 HB3 ALA A 80 7.458 -3.649 -14.200 1.00 13.44 H new ATOM 1243 N SER A 81 7.035 -6.233 -12.363 1.00 52.32 N ATOM 1244 CA SER A 81 6.099 -7.349 -12.172 1.00 10.54 C ATOM 1245 C SER A 81 6.841 -8.614 -11.709 1.00 12.31 C ATOM 1246 O SER A 81 7.211 -9.463 -12.522 1.00 2.14 O ATOM 1247 CB SER A 81 5.318 -7.624 -13.469 1.00 12.45 C ATOM 1248 OG SER A 81 4.210 -8.487 -13.245 1.00 5.22 O ATOM 0 H SER A 81 7.872 -6.470 -12.896 1.00 52.32 H new ATOM 0 HA SER A 81 5.390 -7.069 -11.393 1.00 10.54 H new ATOM 0 HB2 SER A 81 4.966 -6.681 -13.888 1.00 12.45 H new ATOM 0 HB3 SER A 81 5.984 -8.072 -14.207 1.00 12.45 H new ATOM 0 HG SER A 81 3.737 -8.638 -14.090 1.00 5.22 H new ATOM 1254 N PRO A 82 7.116 -8.725 -10.387 1.00 51.13 N ATOM 1255 CA PRO A 82 7.827 -9.883 -9.797 1.00 43.52 C ATOM 1256 C PRO A 82 7.220 -11.277 -10.132 1.00 14.34 C ATOM 1257 O PRO A 82 7.964 -12.177 -10.525 1.00 1.35 O ATOM 1258 CB PRO A 82 7.785 -9.598 -8.287 1.00 73.44 C ATOM 1259 CG PRO A 82 7.651 -8.116 -8.189 1.00 32.12 C ATOM 1260 CD PRO A 82 6.805 -7.700 -9.367 1.00 1.34 C ATOM 0 HA PRO A 82 8.832 -9.963 -10.210 1.00 43.52 H new ATOM 0 HB2 PRO A 82 6.945 -10.105 -7.811 1.00 73.44 H new ATOM 0 HB3 PRO A 82 8.691 -9.948 -7.792 1.00 73.44 H new ATOM 0 HG2 PRO A 82 7.181 -7.827 -7.249 1.00 32.12 H new ATOM 0 HG3 PRO A 82 8.627 -7.632 -8.219 1.00 32.12 H new ATOM 0 HD2 PRO A 82 5.744 -7.690 -9.117 1.00 1.34 H new ATOM 0 HD3 PRO A 82 7.061 -6.698 -9.712 1.00 1.34 H new ATOM 1268 N PRO A 83 5.881 -11.508 -10.008 1.00 3.34 N ATOM 1269 CA PRO A 83 4.873 -10.546 -9.550 1.00 31.45 C ATOM 1270 C PRO A 83 4.392 -10.764 -8.095 1.00 60.12 C ATOM 1271 O PRO A 83 3.274 -10.379 -7.755 1.00 3.05 O ATOM 1272 CB PRO A 83 3.741 -10.842 -10.535 1.00 33.42 C ATOM 1273 CG PRO A 83 3.811 -12.328 -10.754 1.00 70.23 C ATOM 1274 CD PRO A 83 5.220 -12.768 -10.387 1.00 60.35 C ATOM 0 HA PRO A 83 5.249 -9.523 -9.533 1.00 31.45 H new ATOM 0 HB2 PRO A 83 2.774 -10.546 -10.129 1.00 33.42 H new ATOM 0 HB3 PRO A 83 3.875 -10.296 -11.469 1.00 33.42 H new ATOM 0 HG2 PRO A 83 3.074 -12.843 -10.138 1.00 70.23 H new ATOM 0 HG3 PRO A 83 3.588 -12.575 -11.792 1.00 70.23 H new ATOM 0 HD2 PRO A 83 5.217 -13.483 -9.565 1.00 60.35 H new ATOM 0 HD3 PRO A 83 5.722 -13.249 -11.226 1.00 60.35 H new ATOM 1282 N THR A 84 5.225 -11.379 -7.244 1.00 12.23 N ATOM 1283 CA THR A 84 4.874 -11.573 -5.820 1.00 73.44 C ATOM 1284 C THR A 84 4.555 -10.237 -5.124 1.00 64.24 C ATOM 1285 O THR A 84 3.709 -10.175 -4.232 1.00 14.41 O ATOM 1286 CB THR A 84 5.997 -12.303 -5.031 1.00 64.11 C ATOM 1287 OG1 THR A 84 5.620 -12.471 -3.650 1.00 61.41 O ATOM 1288 CG2 THR A 84 7.322 -11.547 -5.111 1.00 51.12 C ATOM 0 H THR A 84 6.138 -11.749 -7.508 1.00 12.23 H new ATOM 0 HA THR A 84 3.982 -12.200 -5.816 1.00 73.44 H new ATOM 0 HB THR A 84 6.132 -13.282 -5.491 1.00 64.11 H new ATOM 0 HG1 THR A 84 6.338 -12.933 -3.169 1.00 61.41 H new ATOM 0 HG21 THR A 84 8.083 -12.087 -4.548 1.00 51.12 H new ATOM 0 HG22 THR A 84 7.631 -11.464 -6.153 1.00 51.12 H new ATOM 0 HG23 THR A 84 7.198 -10.550 -4.689 1.00 51.12 H new ATOM 1296 N ASP A 85 5.250 -9.177 -5.532 1.00 53.44 N ATOM 1297 CA ASP A 85 4.955 -7.814 -5.069 1.00 11.12 C ATOM 1298 C ASP A 85 4.434 -6.954 -6.235 1.00 24.23 C ATOM 1299 O ASP A 85 4.444 -7.387 -7.389 1.00 22.23 O ATOM 1300 CB ASP A 85 6.209 -7.174 -4.459 1.00 72.01 C ATOM 1301 CG ASP A 85 6.685 -7.892 -3.206 1.00 53.12 C ATOM 1302 OD1 ASP A 85 6.098 -7.670 -2.126 1.00 12.13 O ATOM 1303 OD2 ASP A 85 7.659 -8.670 -3.286 1.00 32.33 O ATOM 0 H ASP A 85 6.029 -9.233 -6.188 1.00 53.44 H new ATOM 0 HA ASP A 85 4.182 -7.869 -4.302 1.00 11.12 H new ATOM 0 HB2 ASP A 85 7.009 -7.175 -5.199 1.00 72.01 H new ATOM 0 HB3 ASP A 85 5.999 -6.132 -4.218 1.00 72.01 H new ATOM 1308 N LEU A 86 3.988 -5.733 -5.940 1.00 11.34 N ATOM 1309 CA LEU A 86 3.459 -4.831 -6.974 1.00 65.33 C ATOM 1310 C LEU A 86 4.236 -3.508 -7.008 1.00 60.20 C ATOM 1311 O LEU A 86 4.380 -2.835 -5.990 1.00 33.33 O ATOM 1312 CB LEU A 86 1.968 -4.553 -6.729 1.00 23.03 C ATOM 1313 CG LEU A 86 1.045 -5.783 -6.793 1.00 61.04 C ATOM 1314 CD1 LEU A 86 -0.396 -5.395 -6.464 1.00 41.22 C ATOM 1315 CD2 LEU A 86 1.125 -6.455 -8.165 1.00 51.42 C ATOM 0 H LEU A 86 3.981 -5.343 -4.998 1.00 11.34 H new ATOM 0 HA LEU A 86 3.579 -5.324 -7.939 1.00 65.33 H new ATOM 0 HB2 LEU A 86 1.859 -4.090 -5.748 1.00 23.03 H new ATOM 0 HB3 LEU A 86 1.626 -3.825 -7.465 1.00 23.03 H new ATOM 0 HG LEU A 86 1.385 -6.500 -6.046 1.00 61.04 H new ATOM 0 HD11 LEU A 86 -1.032 -6.279 -6.515 1.00 41.22 H new ATOM 0 HD12 LEU A 86 -0.439 -4.974 -5.459 1.00 41.22 H new ATOM 0 HD13 LEU A 86 -0.747 -4.654 -7.183 1.00 41.22 H new ATOM 0 HD21 LEU A 86 0.464 -7.321 -8.185 1.00 51.42 H new ATOM 0 HD22 LEU A 86 0.819 -5.747 -8.935 1.00 51.42 H new ATOM 0 HD23 LEU A 86 2.149 -6.776 -8.354 1.00 51.42 H new ATOM 1327 N ILE A 87 4.737 -3.137 -8.182 1.00 1.12 N ATOM 1328 CA ILE A 87 5.496 -1.890 -8.335 1.00 4.51 C ATOM 1329 C ILE A 87 4.591 -0.707 -8.738 1.00 71.13 C ATOM 1330 O ILE A 87 3.865 -0.761 -9.736 1.00 21.12 O ATOM 1331 CB ILE A 87 6.665 -2.053 -9.354 1.00 14.32 C ATOM 1332 CG1 ILE A 87 7.861 -2.785 -8.706 1.00 13.22 C ATOM 1333 CG2 ILE A 87 7.117 -0.700 -9.909 1.00 60.25 C ATOM 1334 CD1 ILE A 87 7.550 -4.184 -8.209 1.00 52.03 C ATOM 0 H ILE A 87 4.634 -3.677 -9.042 1.00 1.12 H new ATOM 0 HA ILE A 87 5.923 -1.664 -7.358 1.00 4.51 H new ATOM 0 HB ILE A 87 6.292 -2.654 -10.183 1.00 14.32 H new ATOM 0 HG12 ILE A 87 8.671 -2.843 -9.433 1.00 13.22 H new ATOM 0 HG13 ILE A 87 8.225 -2.189 -7.869 1.00 13.22 H new ATOM 0 HG21 ILE A 87 7.933 -0.851 -10.616 1.00 60.25 H new ATOM 0 HG22 ILE A 87 6.282 -0.218 -10.417 1.00 60.25 H new ATOM 0 HG23 ILE A 87 7.459 -0.067 -9.090 1.00 60.25 H new ATOM 0 HD11 ILE A 87 8.446 -4.622 -7.770 1.00 52.03 H new ATOM 0 HD12 ILE A 87 6.763 -4.136 -7.456 1.00 52.03 H new ATOM 0 HD13 ILE A 87 7.217 -4.801 -9.044 1.00 52.03 H new ATOM 1346 N TRP A 88 4.648 0.361 -7.943 1.00 1.53 N ATOM 1347 CA TRP A 88 3.875 1.578 -8.195 1.00 12.44 C ATOM 1348 C TRP A 88 4.487 2.376 -9.361 1.00 23.21 C ATOM 1349 O TRP A 88 5.232 3.334 -9.158 1.00 22.43 O ATOM 1350 CB TRP A 88 3.828 2.431 -6.913 1.00 42.55 C ATOM 1351 CG TRP A 88 2.814 3.541 -6.925 1.00 32.53 C ATOM 1352 CD1 TRP A 88 1.837 3.767 -7.852 1.00 44.30 C ATOM 1353 CD2 TRP A 88 2.670 4.569 -5.937 1.00 33.33 C ATOM 1354 NE1 TRP A 88 1.104 4.876 -7.506 1.00 72.40 N ATOM 1355 CE2 TRP A 88 1.595 5.384 -6.333 1.00 52.15 C ATOM 1356 CE3 TRP A 88 3.351 4.878 -4.753 1.00 11.03 C ATOM 1357 CZ2 TRP A 88 1.184 6.488 -5.593 1.00 65.34 C ATOM 1358 CZ3 TRP A 88 2.939 5.975 -4.019 1.00 11.02 C ATOM 1359 CH2 TRP A 88 1.864 6.767 -4.441 1.00 62.24 C ATOM 0 H TRP A 88 5.230 0.408 -7.107 1.00 1.53 H new ATOM 0 HA TRP A 88 2.858 1.305 -8.476 1.00 12.44 H new ATOM 0 HB2 TRP A 88 3.618 1.777 -6.067 1.00 42.55 H new ATOM 0 HB3 TRP A 88 4.815 2.862 -6.745 1.00 42.55 H new ATOM 0 HD1 TRP A 88 1.666 3.162 -8.730 1.00 44.30 H new ATOM 0 HE1 TRP A 88 0.321 5.259 -8.036 1.00 72.40 H new ATOM 0 HE3 TRP A 88 4.181 4.272 -4.420 1.00 11.03 H new ATOM 0 HZ2 TRP A 88 0.357 7.102 -5.917 1.00 65.34 H new ATOM 0 HZ3 TRP A 88 3.455 6.225 -3.104 1.00 11.02 H new ATOM 0 HH2 TRP A 88 1.566 7.616 -3.844 1.00 62.24 H new ATOM 1370 N LYS A 89 4.183 1.955 -10.585 1.00 23.20 N ATOM 1371 CA LYS A 89 4.713 2.611 -11.792 1.00 70.44 C ATOM 1372 C LYS A 89 4.154 4.039 -11.966 1.00 62.05 C ATOM 1373 O LYS A 89 4.702 4.844 -12.724 1.00 51.40 O ATOM 1374 CB LYS A 89 4.391 1.758 -13.031 1.00 20.40 C ATOM 1375 CG LYS A 89 4.999 0.356 -12.986 1.00 15.42 C ATOM 1376 CD LYS A 89 4.517 -0.525 -14.140 1.00 72.34 C ATOM 1377 CE LYS A 89 4.989 -0.015 -15.501 1.00 22.24 C ATOM 1378 NZ LYS A 89 6.463 -0.129 -15.669 1.00 43.13 N ATOM 0 H LYS A 89 3.571 1.161 -10.775 1.00 23.20 H new ATOM 0 HA LYS A 89 5.794 2.698 -11.678 1.00 70.44 H new ATOM 0 HB2 LYS A 89 3.309 1.672 -13.131 1.00 20.40 H new ATOM 0 HB3 LYS A 89 4.754 2.273 -13.920 1.00 20.40 H new ATOM 0 HG2 LYS A 89 6.086 0.433 -13.020 1.00 15.42 H new ATOM 0 HG3 LYS A 89 4.743 -0.118 -12.039 1.00 15.42 H new ATOM 0 HD2 LYS A 89 4.878 -1.543 -13.992 1.00 72.34 H new ATOM 0 HD3 LYS A 89 3.428 -0.569 -14.129 1.00 72.34 H new ATOM 0 HE2 LYS A 89 4.491 -0.579 -16.290 1.00 22.24 H new ATOM 0 HE3 LYS A 89 4.692 1.027 -15.618 1.00 22.24 H new ATOM 0 HZ1 LYS A 89 6.721 0.117 -16.646 1.00 43.13 H new ATOM 0 HZ2 LYS A 89 6.939 0.521 -15.011 1.00 43.13 H new ATOM 0 HZ3 LYS A 89 6.761 -1.105 -15.467 1.00 43.13 H new ATOM 1392 N ASN A 90 3.068 4.347 -11.253 1.00 12.30 N ATOM 1393 CA ASN A 90 2.427 5.671 -11.328 1.00 55.22 C ATOM 1394 C ASN A 90 3.246 6.748 -10.591 1.00 41.14 C ATOM 1395 O ASN A 90 2.978 7.945 -10.728 1.00 72.45 O ATOM 1396 CB ASN A 90 1.014 5.600 -10.736 1.00 5.23 C ATOM 1397 CG ASN A 90 0.184 4.483 -11.345 1.00 64.33 C ATOM 1398 OD1 ASN A 90 0.221 3.348 -10.885 1.00 64.24 O ATOM 1399 ND2 ASN A 90 -0.574 4.791 -12.377 1.00 73.24 N ATOM 0 H ASN A 90 2.609 3.698 -10.614 1.00 12.30 H new ATOM 0 HA ASN A 90 2.375 5.954 -12.379 1.00 55.22 H new ATOM 0 HB2 ASN A 90 1.082 5.452 -9.658 1.00 5.23 H new ATOM 0 HB3 ASN A 90 0.508 6.552 -10.895 1.00 5.23 H new ATOM 0 HD21 ASN A 90 -1.152 4.075 -12.817 1.00 73.24 H new ATOM 0 HD22 ASN A 90 -0.583 5.745 -12.737 1.00 73.24 H new ATOM 1406 N GLN A 91 4.238 6.322 -9.805 1.00 64.24 N ATOM 1407 CA GLN A 91 5.097 7.256 -9.069 1.00 54.31 C ATOM 1408 C GLN A 91 6.524 6.703 -8.898 1.00 42.14 C ATOM 1409 O GLN A 91 6.720 5.512 -8.651 1.00 64.54 O ATOM 1410 CB GLN A 91 4.501 7.563 -7.687 1.00 21.22 C ATOM 1411 CG GLN A 91 5.274 8.626 -6.911 1.00 50.33 C ATOM 1412 CD GLN A 91 4.884 8.689 -5.445 1.00 42.21 C ATOM 1413 OE1 GLN A 91 3.980 9.417 -5.053 1.00 12.03 O ATOM 1414 NE2 GLN A 91 5.574 7.929 -4.620 1.00 31.05 N ATOM 0 H GLN A 91 4.467 5.338 -9.661 1.00 64.24 H new ATOM 0 HA GLN A 91 5.151 8.173 -9.656 1.00 54.31 H new ATOM 0 HB2 GLN A 91 3.470 7.893 -7.811 1.00 21.22 H new ATOM 0 HB3 GLN A 91 4.473 6.645 -7.100 1.00 21.22 H new ATOM 0 HG2 GLN A 91 6.342 8.421 -6.989 1.00 50.33 H new ATOM 0 HG3 GLN A 91 5.102 9.600 -7.369 1.00 50.33 H new ATOM 0 HE21 GLN A 91 6.321 7.334 -4.979 1.00 31.05 H new ATOM 0 HE22 GLN A 91 5.362 7.935 -3.622 1.00 31.05 H new ATOM 1423 N ASN A 92 7.522 7.576 -9.033 1.00 52.01 N ATOM 1424 CA ASN A 92 8.920 7.197 -8.786 1.00 30.33 C ATOM 1425 C ASN A 92 9.236 7.209 -7.273 1.00 50.33 C ATOM 1426 O ASN A 92 8.334 7.347 -6.444 1.00 22.14 O ATOM 1427 CB ASN A 92 9.869 8.141 -9.542 1.00 20.23 C ATOM 1428 CG ASN A 92 9.804 7.981 -11.056 1.00 74.01 C ATOM 1429 OD1 ASN A 92 10.804 8.134 -11.747 1.00 74.22 O ATOM 1430 ND2 ASN A 92 8.635 7.692 -11.593 1.00 1.32 N ATOM 0 H ASN A 92 7.393 8.549 -9.311 1.00 52.01 H new ATOM 0 HA ASN A 92 9.070 6.182 -9.154 1.00 30.33 H new ATOM 0 HB2 ASN A 92 9.627 9.172 -9.282 1.00 20.23 H new ATOM 0 HB3 ASN A 92 10.891 7.960 -9.209 1.00 20.23 H new ATOM 0 HD21 ASN A 92 8.549 7.591 -12.604 1.00 1.32 H new ATOM 0 HD22 ASN A 92 7.816 7.569 -10.997 1.00 1.32 H new ATOM 1437 N SER A 93 10.513 7.055 -6.911 1.00 33.14 N ATOM 1438 CA SER A 93 10.912 7.049 -5.491 1.00 72.54 C ATOM 1439 C SER A 93 10.846 8.466 -4.903 1.00 34.14 C ATOM 1440 O SER A 93 11.397 9.411 -5.474 1.00 54.12 O ATOM 1441 CB SER A 93 12.326 6.470 -5.312 1.00 1.14 C ATOM 1442 OG SER A 93 13.314 7.284 -5.928 1.00 4.03 O ATOM 0 H SER A 93 11.283 6.934 -7.568 1.00 33.14 H new ATOM 0 HA SER A 93 10.210 6.411 -4.954 1.00 72.54 H new ATOM 0 HB2 SER A 93 12.547 6.373 -4.249 1.00 1.14 H new ATOM 0 HB3 SER A 93 12.364 5.467 -5.738 1.00 1.14 H new ATOM 0 HG SER A 93 14.198 6.885 -5.791 1.00 4.03 H new ATOM 1448 N TRP A 94 10.179 8.609 -3.760 1.00 31.40 N ATOM 1449 CA TRP A 94 9.932 9.930 -3.174 1.00 64.13 C ATOM 1450 C TRP A 94 11.047 10.353 -2.206 1.00 73.11 C ATOM 1451 O TRP A 94 11.591 9.537 -1.463 1.00 53.15 O ATOM 1452 CB TRP A 94 8.565 9.957 -2.465 1.00 62.31 C ATOM 1453 CG TRP A 94 8.431 8.997 -1.311 1.00 60.24 C ATOM 1454 CD1 TRP A 94 8.747 9.235 -0.002 1.00 72.55 C ATOM 1455 CD2 TRP A 94 7.924 7.656 -1.360 1.00 54.00 C ATOM 1456 NE1 TRP A 94 8.475 8.126 0.759 1.00 21.14 N ATOM 1457 CE2 TRP A 94 7.971 7.144 -0.049 1.00 11.13 C ATOM 1458 CE3 TRP A 94 7.440 6.838 -2.383 1.00 34.14 C ATOM 1459 CZ2 TRP A 94 7.551 5.855 0.263 1.00 25.14 C ATOM 1460 CZ3 TRP A 94 7.024 5.557 -2.072 1.00 51.21 C ATOM 1461 CH2 TRP A 94 7.081 5.076 -0.758 1.00 4.14 C ATOM 0 H TRP A 94 9.800 7.831 -3.220 1.00 31.40 H new ATOM 0 HA TRP A 94 9.924 10.650 -3.992 1.00 64.13 H new ATOM 0 HB2 TRP A 94 8.380 10.968 -2.101 1.00 62.31 H new ATOM 0 HB3 TRP A 94 7.788 9.734 -3.196 1.00 62.31 H new ATOM 0 HD1 TRP A 94 9.152 10.161 0.378 1.00 72.55 H new ATOM 0 HE1 TRP A 94 8.625 8.047 1.765 1.00 21.14 H new ATOM 0 HE3 TRP A 94 7.392 7.200 -3.399 1.00 34.14 H new ATOM 0 HZ2 TRP A 94 7.595 5.483 1.276 1.00 25.14 H new ATOM 0 HZ3 TRP A 94 6.649 4.916 -2.856 1.00 51.21 H new ATOM 0 HH2 TRP A 94 6.747 4.071 -0.547 1.00 4.14 H new ATOM 1472 N GLY A 95 11.381 11.640 -2.225 1.00 2.21 N ATOM 1473 CA GLY A 95 12.387 12.181 -1.316 1.00 51.25 C ATOM 1474 C GLY A 95 11.781 13.056 -0.222 1.00 62.42 C ATOM 1475 O GLY A 95 12.457 13.918 0.343 1.00 62.35 O ATOM 0 H GLY A 95 10.971 12.327 -2.858 1.00 2.21 H new ATOM 0 HA2 GLY A 95 12.935 11.359 -0.856 1.00 51.25 H new ATOM 0 HA3 GLY A 95 13.109 12.766 -1.886 1.00 51.25 H new ATOM 1479 N THR A 96 10.503 12.834 0.079 1.00 61.12 N ATOM 1480 CA THR A 96 9.789 13.623 1.094 1.00 5.12 C ATOM 1481 C THR A 96 10.113 13.163 2.519 1.00 0.13 C ATOM 1482 O THR A 96 9.993 11.980 2.844 1.00 43.22 O ATOM 1483 CB THR A 96 8.256 13.548 0.900 1.00 0.34 C ATOM 1484 OG1 THR A 96 7.813 12.179 0.935 1.00 32.01 O ATOM 1485 CG2 THR A 96 7.838 14.182 -0.420 1.00 31.11 C ATOM 0 H THR A 96 9.935 12.113 -0.365 1.00 61.12 H new ATOM 0 HA THR A 96 10.130 14.650 0.961 1.00 5.12 H new ATOM 0 HB THR A 96 7.791 14.101 1.716 1.00 0.34 H new ATOM 0 HG1 THR A 96 8.361 11.674 1.571 1.00 32.01 H new ATOM 0 HG21 THR A 96 6.756 14.115 -0.529 1.00 31.11 H new ATOM 0 HG22 THR A 96 8.140 15.229 -0.432 1.00 31.11 H new ATOM 0 HG23 THR A 96 8.319 13.656 -1.245 1.00 31.11 H new ATOM 1493 N GLY A 97 10.507 14.109 3.370 1.00 24.31 N ATOM 1494 CA GLY A 97 10.802 13.802 4.766 1.00 12.05 C ATOM 1495 C GLY A 97 9.583 13.911 5.680 1.00 42.30 C ATOM 1496 O GLY A 97 9.640 13.519 6.847 1.00 71.53 O ATOM 0 H GLY A 97 10.629 15.090 3.118 1.00 24.31 H new ATOM 0 HA2 GLY A 97 11.207 12.792 4.831 1.00 12.05 H new ATOM 0 HA3 GLY A 97 11.577 14.480 5.124 1.00 12.05 H new ATOM 1500 N GLU A 98 8.488 14.460 5.156 1.00 44.54 N ATOM 1501 CA GLU A 98 7.242 14.588 5.923 1.00 44.15 C ATOM 1502 C GLU A 98 6.555 13.225 6.104 1.00 32.21 C ATOM 1503 O GLU A 98 6.756 12.305 5.306 1.00 22.12 O ATOM 1504 CB GLU A 98 6.275 15.553 5.220 1.00 1.40 C ATOM 1505 CG GLU A 98 6.884 16.903 4.864 1.00 34.02 C ATOM 1506 CD GLU A 98 7.488 17.619 6.062 1.00 74.53 C ATOM 1507 OE1 GLU A 98 6.726 18.168 6.886 1.00 55.30 O ATOM 1508 OE2 GLU A 98 8.731 17.648 6.178 1.00 3.20 O ATOM 0 H GLU A 98 8.435 14.824 4.205 1.00 44.54 H new ATOM 0 HA GLU A 98 7.502 14.982 6.905 1.00 44.15 H new ATOM 0 HB2 GLU A 98 5.909 15.081 4.308 1.00 1.40 H new ATOM 0 HB3 GLU A 98 5.411 15.716 5.864 1.00 1.40 H new ATOM 0 HG2 GLU A 98 7.655 16.759 4.107 1.00 34.02 H new ATOM 0 HG3 GLU A 98 6.116 17.536 4.419 1.00 34.02 H new ATOM 1515 N ASP A 99 5.730 13.098 7.144 1.00 11.21 N ATOM 1516 CA ASP A 99 5.005 11.852 7.393 1.00 24.02 C ATOM 1517 C ASP A 99 3.948 11.596 6.304 1.00 21.20 C ATOM 1518 O ASP A 99 2.798 12.035 6.404 1.00 22.25 O ATOM 1519 CB ASP A 99 4.370 11.863 8.795 1.00 33.21 C ATOM 1520 CG ASP A 99 3.462 13.060 9.030 1.00 31.21 C ATOM 1521 OD1 ASP A 99 3.987 14.183 9.189 1.00 62.12 O ATOM 1522 OD2 ASP A 99 2.224 12.885 9.069 1.00 23.42 O ATOM 0 H ASP A 99 5.548 13.837 7.823 1.00 11.21 H new ATOM 0 HA ASP A 99 5.721 11.031 7.354 1.00 24.02 H new ATOM 0 HB2 ASP A 99 3.796 10.947 8.935 1.00 33.21 H new ATOM 0 HB3 ASP A 99 5.161 11.862 9.545 1.00 33.21 H new ATOM 1527 N VAL A 100 4.364 10.912 5.237 1.00 63.54 N ATOM 1528 CA VAL A 100 3.447 10.540 4.157 1.00 2.51 C ATOM 1529 C VAL A 100 2.284 9.691 4.696 1.00 30.53 C ATOM 1530 O VAL A 100 2.484 8.600 5.233 1.00 15.15 O ATOM 1531 CB VAL A 100 4.179 9.792 3.008 1.00 3.14 C ATOM 1532 CG1 VAL A 100 4.971 8.596 3.533 1.00 71.10 C ATOM 1533 CG2 VAL A 100 3.189 9.363 1.925 1.00 42.45 C ATOM 0 H VAL A 100 5.327 10.605 5.097 1.00 63.54 H new ATOM 0 HA VAL A 100 3.043 11.464 3.744 1.00 2.51 H new ATOM 0 HB VAL A 100 4.893 10.485 2.562 1.00 3.14 H new ATOM 0 HG11 VAL A 100 5.470 8.097 2.702 1.00 71.10 H new ATOM 0 HG12 VAL A 100 5.716 8.940 4.250 1.00 71.10 H new ATOM 0 HG13 VAL A 100 4.293 7.897 4.022 1.00 71.10 H new ATOM 0 HG21 VAL A 100 3.722 8.841 1.130 1.00 42.45 H new ATOM 0 HG22 VAL A 100 2.442 8.698 2.358 1.00 42.45 H new ATOM 0 HG23 VAL A 100 2.696 10.244 1.513 1.00 42.45 H new ATOM 1543 N LYS A 101 1.069 10.213 4.566 1.00 3.42 N ATOM 1544 CA LYS A 101 -0.108 9.573 5.151 1.00 33.31 C ATOM 1545 C LYS A 101 -0.932 8.848 4.073 1.00 53.35 C ATOM 1546 O LYS A 101 -1.705 9.461 3.333 1.00 72.15 O ATOM 1547 CB LYS A 101 -0.940 10.630 5.894 1.00 2.12 C ATOM 1548 CG LYS A 101 -1.948 10.056 6.887 1.00 43.21 C ATOM 1549 CD LYS A 101 -2.454 11.114 7.879 1.00 23.41 C ATOM 1550 CE LYS A 101 -1.366 11.584 8.857 1.00 31.03 C ATOM 1551 NZ LYS A 101 -0.358 12.487 8.228 1.00 15.21 N ATOM 0 H LYS A 101 0.872 11.077 4.061 1.00 3.42 H new ATOM 0 HA LYS A 101 0.207 8.814 5.867 1.00 33.31 H new ATOM 0 HB2 LYS A 101 -0.264 11.298 6.427 1.00 2.12 H new ATOM 0 HB3 LYS A 101 -1.474 11.235 5.161 1.00 2.12 H new ATOM 0 HG2 LYS A 101 -2.794 9.638 6.342 1.00 43.21 H new ATOM 0 HG3 LYS A 101 -1.486 9.236 7.437 1.00 43.21 H new ATOM 0 HD2 LYS A 101 -2.833 11.973 7.325 1.00 23.41 H new ATOM 0 HD3 LYS A 101 -3.291 10.704 8.444 1.00 23.41 H new ATOM 0 HE2 LYS A 101 -1.837 12.102 9.692 1.00 31.03 H new ATOM 0 HE3 LYS A 101 -0.856 10.713 9.269 1.00 31.03 H new ATOM 0 HZ1 LYS A 101 0.544 11.980 8.121 1.00 15.21 H new ATOM 0 HZ2 LYS A 101 -0.698 12.789 7.293 1.00 15.21 H new ATOM 0 HZ3 LYS A 101 -0.216 13.322 8.831 1.00 15.21 H new ATOM 1565 N VAL A 102 -0.734 7.536 3.989 1.00 3.32 N ATOM 1566 CA VAL A 102 -1.338 6.707 2.943 1.00 63.43 C ATOM 1567 C VAL A 102 -2.788 6.312 3.273 1.00 31.22 C ATOM 1568 O VAL A 102 -3.088 5.864 4.383 1.00 14.13 O ATOM 1569 CB VAL A 102 -0.493 5.430 2.723 1.00 63.03 C ATOM 1570 CG1 VAL A 102 -1.113 4.539 1.653 1.00 61.21 C ATOM 1571 CG2 VAL A 102 0.946 5.794 2.360 1.00 31.32 C ATOM 0 H VAL A 102 -0.151 7.014 4.643 1.00 3.32 H new ATOM 0 HA VAL A 102 -1.357 7.305 2.032 1.00 63.43 H new ATOM 0 HB VAL A 102 -0.480 4.869 3.657 1.00 63.03 H new ATOM 0 HG11 VAL A 102 -0.498 3.649 1.519 1.00 61.21 H new ATOM 0 HG12 VAL A 102 -2.116 4.244 1.961 1.00 61.21 H new ATOM 0 HG13 VAL A 102 -1.169 5.086 0.712 1.00 61.21 H new ATOM 0 HG21 VAL A 102 1.525 4.883 2.209 1.00 31.32 H new ATOM 0 HG22 VAL A 102 0.952 6.384 1.443 1.00 31.32 H new ATOM 0 HG23 VAL A 102 1.389 6.376 3.168 1.00 31.32 H new ATOM 1581 N ILE A 103 -3.677 6.471 2.293 1.00 74.43 N ATOM 1582 CA ILE A 103 -5.104 6.168 2.461 1.00 0.43 C ATOM 1583 C ILE A 103 -5.529 4.955 1.608 1.00 72.45 C ATOM 1584 O ILE A 103 -5.192 4.872 0.427 1.00 64.20 O ATOM 1585 CB ILE A 103 -5.973 7.385 2.049 1.00 74.41 C ATOM 1586 CG1 ILE A 103 -5.499 8.666 2.761 1.00 51.42 C ATOM 1587 CG2 ILE A 103 -7.446 7.117 2.339 1.00 33.12 C ATOM 1588 CD1 ILE A 103 -5.557 8.596 4.272 1.00 53.43 C ATOM 0 H ILE A 103 -3.433 6.812 1.363 1.00 74.43 H new ATOM 0 HA ILE A 103 -5.258 5.937 3.515 1.00 0.43 H new ATOM 0 HB ILE A 103 -5.858 7.535 0.976 1.00 74.41 H new ATOM 0 HG12 ILE A 103 -4.474 8.878 2.458 1.00 51.42 H new ATOM 0 HG13 ILE A 103 -6.111 9.503 2.424 1.00 51.42 H new ATOM 0 HG21 ILE A 103 -8.038 7.983 2.043 1.00 33.12 H new ATOM 0 HG22 ILE A 103 -7.774 6.243 1.777 1.00 33.12 H new ATOM 0 HG23 ILE A 103 -7.579 6.934 3.405 1.00 33.12 H new ATOM 0 HD11 ILE A 103 -5.206 9.538 4.694 1.00 53.43 H new ATOM 0 HD12 ILE A 103 -6.584 8.417 4.589 1.00 53.43 H new ATOM 0 HD13 ILE A 103 -4.922 7.783 4.623 1.00 53.43 H new ATOM 1600 N LEU A 104 -6.276 4.024 2.206 1.00 21.24 N ATOM 1601 CA LEU A 104 -6.809 2.861 1.477 1.00 24.45 C ATOM 1602 C LEU A 104 -8.340 2.932 1.368 1.00 54.42 C ATOM 1603 O LEU A 104 -9.051 2.781 2.367 1.00 42.50 O ATOM 1604 CB LEU A 104 -6.404 1.553 2.176 1.00 74.32 C ATOM 1605 CG LEU A 104 -4.893 1.284 2.262 1.00 14.13 C ATOM 1606 CD1 LEU A 104 -4.627 -0.048 2.962 1.00 1.32 C ATOM 1607 CD2 LEU A 104 -4.263 1.301 0.868 1.00 41.43 C ATOM 0 H LEU A 104 -6.528 4.049 3.194 1.00 21.24 H new ATOM 0 HA LEU A 104 -6.385 2.878 0.473 1.00 24.45 H new ATOM 0 HB2 LEU A 104 -6.811 1.562 3.187 1.00 74.32 H new ATOM 0 HB3 LEU A 104 -6.873 0.721 1.651 1.00 74.32 H new ATOM 0 HG LEU A 104 -4.433 2.078 2.851 1.00 14.13 H new ATOM 0 HD11 LEU A 104 -3.552 -0.223 3.015 1.00 1.32 H new ATOM 0 HD12 LEU A 104 -5.039 -0.018 3.970 1.00 1.32 H new ATOM 0 HD13 LEU A 104 -5.099 -0.855 2.401 1.00 1.32 H new ATOM 0 HD21 LEU A 104 -3.193 1.109 0.950 1.00 41.43 H new ATOM 0 HD22 LEU A 104 -4.724 0.530 0.251 1.00 41.43 H new ATOM 0 HD23 LEU A 104 -4.422 2.277 0.409 1.00 41.43 H new ATOM 1619 N LYS A 105 -8.845 3.166 0.156 1.00 1.23 N ATOM 1620 CA LYS A 105 -10.293 3.266 -0.074 1.00 21.34 C ATOM 1621 C LYS A 105 -10.799 2.215 -1.078 1.00 51.40 C ATOM 1622 O LYS A 105 -10.034 1.670 -1.878 1.00 70.22 O ATOM 1623 CB LYS A 105 -10.667 4.678 -0.549 1.00 10.42 C ATOM 1624 CG LYS A 105 -10.407 5.762 0.496 1.00 15.41 C ATOM 1625 CD LYS A 105 -10.967 7.115 0.068 1.00 52.44 C ATOM 1626 CE LYS A 105 -10.737 8.187 1.130 1.00 12.10 C ATOM 1627 NZ LYS A 105 -11.298 7.805 2.455 1.00 54.22 N ATOM 0 H LYS A 105 -8.277 3.290 -0.682 1.00 1.23 H new ATOM 0 HA LYS A 105 -10.782 3.067 0.879 1.00 21.34 H new ATOM 0 HB2 LYS A 105 -10.101 4.911 -1.451 1.00 10.42 H new ATOM 0 HB3 LYS A 105 -11.722 4.693 -0.822 1.00 10.42 H new ATOM 0 HG2 LYS A 105 -10.857 5.467 1.444 1.00 15.41 H new ATOM 0 HG3 LYS A 105 -9.334 5.851 0.666 1.00 15.41 H new ATOM 0 HD2 LYS A 105 -10.498 7.423 -0.866 1.00 52.44 H new ATOM 0 HD3 LYS A 105 -12.035 7.021 -0.127 1.00 52.44 H new ATOM 0 HE2 LYS A 105 -9.667 8.370 1.231 1.00 12.10 H new ATOM 0 HE3 LYS A 105 -11.191 9.122 0.802 1.00 12.10 H new ATOM 0 HZ1 LYS A 105 -11.584 8.662 2.971 1.00 54.22 H new ATOM 0 HZ2 LYS A 105 -12.126 7.191 2.317 1.00 54.22 H new ATOM 0 HZ3 LYS A 105 -10.576 7.296 3.004 1.00 54.22 H new ATOM 1641 N ASN A 106 -12.104 1.949 -1.023 1.00 51.43 N ATOM 1642 CA ASN A 106 -12.740 0.918 -1.851 1.00 24.12 C ATOM 1643 C ASN A 106 -13.354 1.506 -3.132 1.00 65.44 C ATOM 1644 O ASN A 106 -13.306 2.712 -3.371 1.00 35.24 O ATOM 1645 CB ASN A 106 -13.844 0.215 -1.050 1.00 34.24 C ATOM 1646 CG ASN A 106 -13.360 -0.355 0.271 1.00 11.12 C ATOM 1647 OD1 ASN A 106 -12.414 0.140 0.871 1.00 24.52 O ATOM 1648 ND2 ASN A 106 -14.018 -1.393 0.746 1.00 60.21 N ATOM 0 H ASN A 106 -12.751 2.440 -0.405 1.00 51.43 H new ATOM 0 HA ASN A 106 -11.964 0.208 -2.138 1.00 24.12 H new ATOM 0 HB2 ASN A 106 -14.650 0.923 -0.858 1.00 34.24 H new ATOM 0 HB3 ASN A 106 -14.263 -0.590 -1.653 1.00 34.24 H new ATOM 0 HD21 ASN A 106 -13.743 -1.807 1.637 1.00 60.21 H new ATOM 0 HD22 ASN A 106 -14.802 -1.783 0.223 1.00 60.21 H new ATOM 1655 N SER A 107 -13.967 0.636 -3.936 1.00 44.23 N ATOM 1656 CA SER A 107 -14.610 1.041 -5.196 1.00 63.14 C ATOM 1657 C SER A 107 -15.755 2.048 -4.972 1.00 11.24 C ATOM 1658 O SER A 107 -16.162 2.751 -5.896 1.00 30.21 O ATOM 1659 CB SER A 107 -15.151 -0.196 -5.928 1.00 0.24 C ATOM 1660 OG SER A 107 -14.136 -1.177 -6.109 1.00 53.33 O ATOM 0 H SER A 107 -14.034 -0.362 -3.738 1.00 44.23 H new ATOM 0 HA SER A 107 -13.850 1.534 -5.802 1.00 63.14 H new ATOM 0 HB2 SER A 107 -15.977 -0.625 -5.360 1.00 0.24 H new ATOM 0 HB3 SER A 107 -15.551 0.099 -6.898 1.00 0.24 H new ATOM 0 HG SER A 107 -14.511 -1.953 -6.576 1.00 53.33 H new ATOM 1666 N GLN A 108 -16.276 2.111 -3.745 1.00 52.11 N ATOM 1667 CA GLN A 108 -17.374 3.035 -3.415 1.00 13.31 C ATOM 1668 C GLN A 108 -16.881 4.273 -2.643 1.00 62.53 C ATOM 1669 O GLN A 108 -17.672 4.977 -2.016 1.00 15.31 O ATOM 1670 CB GLN A 108 -18.454 2.304 -2.600 1.00 15.35 C ATOM 1671 CG GLN A 108 -19.157 1.185 -3.367 1.00 13.00 C ATOM 1672 CD GLN A 108 -20.300 0.553 -2.582 1.00 43.34 C ATOM 1673 OE1 GLN A 108 -20.943 1.197 -1.758 1.00 73.41 O ATOM 1674 NE2 GLN A 108 -20.571 -0.709 -2.840 1.00 70.24 N ATOM 0 H GLN A 108 -15.960 1.537 -2.963 1.00 52.11 H new ATOM 0 HA GLN A 108 -17.798 3.384 -4.357 1.00 13.31 H new ATOM 0 HB2 GLN A 108 -17.997 1.885 -1.703 1.00 15.35 H new ATOM 0 HB3 GLN A 108 -19.199 3.028 -2.270 1.00 15.35 H new ATOM 0 HG2 GLN A 108 -19.544 1.582 -4.305 1.00 13.00 H new ATOM 0 HG3 GLN A 108 -18.430 0.415 -3.623 1.00 13.00 H new ATOM 0 HE21 GLN A 108 -20.019 -1.218 -3.530 1.00 70.24 H new ATOM 0 HE22 GLN A 108 -21.333 -1.178 -2.350 1.00 70.24 H new ATOM 1683 N GLY A 109 -15.573 4.535 -2.681 1.00 52.51 N ATOM 1684 CA GLY A 109 -15.016 5.705 -2.001 1.00 52.40 C ATOM 1685 C GLY A 109 -14.849 5.515 -0.491 1.00 60.33 C ATOM 1686 O GLY A 109 -14.097 6.252 0.150 1.00 42.31 O ATOM 0 H GLY A 109 -14.887 3.960 -3.170 1.00 52.51 H new ATOM 0 HA2 GLY A 109 -14.046 5.941 -2.438 1.00 52.40 H new ATOM 0 HA3 GLY A 109 -15.664 6.562 -2.181 1.00 52.40 H new ATOM 1690 N GLU A 110 -15.556 4.535 0.072 1.00 21.42 N ATOM 1691 CA GLU A 110 -15.461 4.212 1.502 1.00 3.14 C ATOM 1692 C GLU A 110 -14.019 3.845 1.894 1.00 10.45 C ATOM 1693 O GLU A 110 -13.215 3.469 1.041 1.00 22.42 O ATOM 1694 CB GLU A 110 -16.414 3.055 1.833 1.00 61.12 C ATOM 1695 CG GLU A 110 -16.056 1.747 1.137 1.00 32.23 C ATOM 1696 CD GLU A 110 -17.131 0.685 1.279 1.00 33.44 C ATOM 1697 OE1 GLU A 110 -17.390 0.240 2.413 1.00 2.03 O ATOM 1698 OE2 GLU A 110 -17.733 0.302 0.252 1.00 31.23 O ATOM 0 H GLU A 110 -16.208 3.944 -0.444 1.00 21.42 H new ATOM 0 HA GLU A 110 -15.748 5.093 2.076 1.00 3.14 H new ATOM 0 HB2 GLU A 110 -16.415 2.894 2.911 1.00 61.12 H new ATOM 0 HB3 GLU A 110 -17.428 3.340 1.552 1.00 61.12 H new ATOM 0 HG2 GLU A 110 -15.882 1.941 0.079 1.00 32.23 H new ATOM 0 HG3 GLU A 110 -15.121 1.367 1.549 1.00 32.23 H new ATOM 1705 N GLU A 111 -13.696 3.940 3.178 1.00 24.32 N ATOM 1706 CA GLU A 111 -12.315 3.748 3.637 1.00 53.03 C ATOM 1707 C GLU A 111 -12.192 2.617 4.667 1.00 33.43 C ATOM 1708 O GLU A 111 -12.887 2.608 5.685 1.00 72.45 O ATOM 1709 CB GLU A 111 -11.795 5.052 4.238 1.00 43.25 C ATOM 1710 CG GLU A 111 -10.360 4.980 4.739 1.00 74.14 C ATOM 1711 CD GLU A 111 -9.919 6.284 5.371 1.00 13.15 C ATOM 1712 OE1 GLU A 111 -9.615 7.232 4.619 1.00 63.25 O ATOM 1713 OE2 GLU A 111 -9.918 6.373 6.616 1.00 2.21 O ATOM 0 H GLU A 111 -14.364 4.148 3.921 1.00 24.32 H new ATOM 0 HA GLU A 111 -11.717 3.463 2.772 1.00 53.03 H new ATOM 0 HB2 GLU A 111 -11.867 5.839 3.487 1.00 43.25 H new ATOM 0 HB3 GLU A 111 -12.443 5.341 5.066 1.00 43.25 H new ATOM 0 HG2 GLU A 111 -10.269 4.174 5.467 1.00 74.14 H new ATOM 0 HG3 GLU A 111 -9.697 4.736 3.909 1.00 74.14 H new ATOM 1720 N VAL A 112 -11.282 1.678 4.405 1.00 52.32 N ATOM 1721 CA VAL A 112 -11.035 0.561 5.322 1.00 54.20 C ATOM 1722 C VAL A 112 -9.854 0.835 6.272 1.00 32.24 C ATOM 1723 O VAL A 112 -9.867 0.402 7.428 1.00 12.14 O ATOM 1724 CB VAL A 112 -10.775 -0.760 4.550 1.00 42.13 C ATOM 1725 CG1 VAL A 112 -12.032 -1.203 3.804 1.00 13.31 C ATOM 1726 CG2 VAL A 112 -9.592 -0.608 3.591 1.00 43.30 C ATOM 0 H VAL A 112 -10.703 1.667 3.565 1.00 52.32 H new ATOM 0 HA VAL A 112 -11.940 0.456 5.920 1.00 54.20 H new ATOM 0 HB VAL A 112 -10.520 -1.534 5.274 1.00 42.13 H new ATOM 0 HG11 VAL A 112 -11.830 -2.131 3.269 1.00 13.31 H new ATOM 0 HG12 VAL A 112 -12.840 -1.364 4.517 1.00 13.31 H new ATOM 0 HG13 VAL A 112 -12.324 -0.430 3.093 1.00 13.31 H new ATOM 0 HG21 VAL A 112 -9.430 -1.547 3.062 1.00 43.30 H new ATOM 0 HG22 VAL A 112 -9.806 0.182 2.871 1.00 43.30 H new ATOM 0 HG23 VAL A 112 -8.696 -0.351 4.156 1.00 43.30 H new ATOM 1736 N ALA A 113 -8.840 1.560 5.792 1.00 44.00 N ATOM 1737 CA ALA A 113 -7.640 1.822 6.598 1.00 14.50 C ATOM 1738 C ALA A 113 -6.835 3.031 6.091 1.00 43.51 C ATOM 1739 O ALA A 113 -6.822 3.335 4.899 1.00 32.24 O ATOM 1740 CB ALA A 113 -6.749 0.584 6.628 1.00 41.12 C ATOM 0 H ALA A 113 -8.823 1.973 4.860 1.00 44.00 H new ATOM 0 HA ALA A 113 -7.981 2.061 7.605 1.00 14.50 H new ATOM 0 HB1 ALA A 113 -5.862 0.788 7.228 1.00 41.12 H new ATOM 0 HB2 ALA A 113 -7.299 -0.249 7.065 1.00 41.12 H new ATOM 0 HB3 ALA A 113 -6.449 0.327 5.612 1.00 41.12 H new ATOM 1746 N GLN A 114 -6.163 3.709 7.022 1.00 35.14 N ATOM 1747 CA GLN A 114 -5.256 4.820 6.702 1.00 32.50 C ATOM 1748 C GLN A 114 -4.085 4.854 7.700 1.00 0.42 C ATOM 1749 O GLN A 114 -4.277 4.604 8.893 1.00 0.22 O ATOM 1750 CB GLN A 114 -6.013 6.160 6.724 1.00 74.23 C ATOM 1751 CG GLN A 114 -6.659 6.496 8.066 1.00 34.54 C ATOM 1752 CD GLN A 114 -7.345 7.855 8.076 1.00 12.24 C ATOM 1753 OE1 GLN A 114 -6.944 8.779 7.376 1.00 31.41 O ATOM 1754 NE2 GLN A 114 -8.385 7.985 8.875 1.00 5.10 N ATOM 0 H GLN A 114 -6.230 3.506 8.019 1.00 35.14 H new ATOM 0 HA GLN A 114 -4.859 4.664 5.699 1.00 32.50 H new ATOM 0 HB2 GLN A 114 -5.321 6.959 6.457 1.00 74.23 H new ATOM 0 HB3 GLN A 114 -6.787 6.139 5.957 1.00 74.23 H new ATOM 0 HG2 GLN A 114 -7.389 5.726 8.314 1.00 34.54 H new ATOM 0 HG3 GLN A 114 -5.897 6.475 8.845 1.00 34.54 H new ATOM 0 HE21 GLN A 114 -8.693 7.196 9.444 1.00 5.10 H new ATOM 0 HE22 GLN A 114 -8.882 8.874 8.924 1.00 5.10 H new ATOM 1763 N ARG A 115 -2.876 5.157 7.227 1.00 23.25 N ATOM 1764 CA ARG A 115 -1.692 5.136 8.101 1.00 34.24 C ATOM 1765 C ARG A 115 -0.578 6.069 7.588 1.00 53.55 C ATOM 1766 O ARG A 115 -0.516 6.387 6.404 1.00 53.21 O ATOM 1767 CB ARG A 115 -1.155 3.699 8.223 1.00 42.22 C ATOM 1768 CG ARG A 115 -0.131 3.527 9.338 1.00 2.32 C ATOM 1769 CD ARG A 115 0.456 2.121 9.372 1.00 43.24 C ATOM 1770 NE ARG A 115 1.268 1.911 10.567 1.00 11.11 N ATOM 1771 CZ ARG A 115 2.527 1.567 10.565 1.00 54.32 C ATOM 1772 NH1 ARG A 115 3.161 1.361 9.456 1.00 20.33 N ATOM 1773 NH2 ARG A 115 3.151 1.426 11.681 1.00 5.51 N ATOM 0 H ARG A 115 -2.687 5.417 6.259 1.00 23.25 H new ATOM 0 HA ARG A 115 -2.001 5.499 9.081 1.00 34.24 H new ATOM 0 HB2 ARG A 115 -1.990 3.021 8.399 1.00 42.22 H new ATOM 0 HB3 ARG A 115 -0.702 3.407 7.276 1.00 42.22 H new ATOM 0 HG2 ARG A 115 0.673 4.251 9.205 1.00 2.32 H new ATOM 0 HG3 ARG A 115 -0.601 3.745 10.297 1.00 2.32 H new ATOM 0 HD2 ARG A 115 -0.350 1.388 9.345 1.00 43.24 H new ATOM 0 HD3 ARG A 115 1.065 1.958 8.483 1.00 43.24 H new ATOM 0 HE ARG A 115 0.817 2.043 11.472 1.00 11.11 H new ATOM 0 HH11 ARG A 115 2.677 1.467 8.565 1.00 20.33 H new ATOM 0 HH12 ARG A 115 4.145 1.093 9.473 1.00 20.33 H new ATOM 0 HH21 ARG A 115 2.662 1.583 12.562 1.00 5.51 H new ATOM 0 HH22 ARG A 115 4.135 1.157 11.685 1.00 5.51 H new ATOM 1787 N SER A 116 0.303 6.499 8.494 1.00 42.34 N ATOM 1788 CA SER A 116 1.443 7.362 8.141 1.00 10.24 C ATOM 1789 C SER A 116 2.775 6.758 8.614 1.00 5.02 C ATOM 1790 O SER A 116 2.796 5.778 9.362 1.00 64.54 O ATOM 1791 CB SER A 116 1.272 8.757 8.761 1.00 52.54 C ATOM 1792 OG SER A 116 1.217 8.689 10.178 1.00 4.20 O ATOM 0 H SER A 116 0.252 6.264 9.485 1.00 42.34 H new ATOM 0 HA SER A 116 1.465 7.443 7.054 1.00 10.24 H new ATOM 0 HB2 SER A 116 2.101 9.396 8.457 1.00 52.54 H new ATOM 0 HB3 SER A 116 0.360 9.217 8.381 1.00 52.54 H new ATOM 0 HG SER A 116 1.110 9.591 10.545 1.00 4.20 H new ATOM 1798 N THR A 117 3.885 7.350 8.172 1.00 4.32 N ATOM 1799 CA THR A 117 5.224 6.919 8.601 1.00 14.22 C ATOM 1800 C THR A 117 5.519 7.326 10.051 1.00 14.41 C ATOM 1801 O THR A 117 4.893 8.239 10.600 1.00 44.24 O ATOM 1802 CB THR A 117 6.334 7.512 7.697 1.00 31.23 C ATOM 1803 OG1 THR A 117 6.204 8.939 7.620 1.00 22.42 O ATOM 1804 CG2 THR A 117 6.284 6.917 6.298 1.00 12.25 C ATOM 0 H THR A 117 3.887 8.131 7.516 1.00 4.32 H new ATOM 0 HA THR A 117 5.226 5.832 8.520 1.00 14.22 H new ATOM 0 HB THR A 117 7.296 7.259 8.144 1.00 31.23 H new ATOM 0 HG1 THR A 117 6.912 9.302 7.048 1.00 22.42 H new ATOM 0 HG21 THR A 117 7.075 7.354 5.688 1.00 12.25 H new ATOM 0 HG22 THR A 117 6.425 5.838 6.356 1.00 12.25 H new ATOM 0 HG23 THR A 117 5.316 7.133 5.845 1.00 12.25 H new ATOM 1812 N VAL A 118 6.481 6.641 10.668 1.00 73.33 N ATOM 1813 CA VAL A 118 6.897 6.952 12.036 1.00 45.13 C ATOM 1814 C VAL A 118 7.788 8.208 12.070 1.00 73.42 C ATOM 1815 O VAL A 118 9.011 8.130 11.932 1.00 15.50 O ATOM 1816 CB VAL A 118 7.648 5.756 12.681 1.00 62.31 C ATOM 1817 CG1 VAL A 118 7.999 6.052 14.139 1.00 63.34 C ATOM 1818 CG2 VAL A 118 6.818 4.475 12.569 1.00 51.52 C ATOM 0 H VAL A 118 6.988 5.865 10.242 1.00 73.33 H new ATOM 0 HA VAL A 118 5.993 7.147 12.614 1.00 45.13 H new ATOM 0 HB VAL A 118 8.580 5.607 12.136 1.00 62.31 H new ATOM 0 HG11 VAL A 118 8.524 5.198 14.567 1.00 63.34 H new ATOM 0 HG12 VAL A 118 8.639 6.933 14.188 1.00 63.34 H new ATOM 0 HG13 VAL A 118 7.085 6.236 14.703 1.00 63.34 H new ATOM 0 HG21 VAL A 118 7.361 3.648 13.027 1.00 51.52 H new ATOM 0 HG22 VAL A 118 5.866 4.612 13.082 1.00 51.52 H new ATOM 0 HG23 VAL A 118 6.635 4.251 11.518 1.00 51.52 H new