USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 952 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 106 SER OG : rot -31:sc= 1.28 USER MOD Set 1.2: A 118 ASN : amide:sc= 1.21 K(o=2.5,f=1.2) USER MOD Set 2.1: A 86 SER OG : rot 50:sc= 0.0095 USER MOD Set 2.2: A 89 HIS : no HE2:sc= -5! K(o=-4.2!,f=-5.8) USER MOD Set 2.3: A 108 ASN : amide:sc= -0.0819 K(o=-4.2,f=-4.8!) USER MOD Set 2.4: A 110 THR OG1 : rot -68:sc= 0.902 USER MOD Set 3.1: A 65 GLN : amide:sc= 1.58 K(o=1.3,f=-14!) USER MOD Set 3.2: A 68 THR OG1 : rot 120:sc= -0.281 USER MOD Set 4.1: A 37 THR OG1 : rot -18:sc= 1.16 USER MOD Set 4.2: A 123 GLN : amide:sc= 1.07 K(o=2.2,f=-1.7) USER MOD Single : A 16 SER OG : rot 34:sc= 0.292 USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= -0.014 (180deg=-0.0982) USER MOD Single : A 26 MET CE :methyl 140:sc= -0.165 (180deg=-1.06) USER MOD Single : A 28 SER OG : rot 78:sc= 0.155 USER MOD Single : A 29 SER OG : rot 84:sc= 0.888 USER MOD Single : A 30 THR OG1 : rot -16:sc= 0.674 USER MOD Single : A 32 THR OG1 : rot 62:sc= 1.2 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.78! C(o=-1.8!,f=-5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0663) USER MOD Single : A 56 ASN : amide:sc= 1.08 K(o=1.1,f=-0.72) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -2.05 K(o=-2.1,f=-2.8) USER MOD Single : A 76 SER OG : rot 111:sc= 0.667 USER MOD Single : A 84 THR OG1 : rot 87:sc= 1.18 USER MOD Single : A 95 ASN : amide:sc= 0.894 K(o=0.89,f=-0.011) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.315! C(o=-0.32!,f=-12!) USER MOD Single : A 120 GLN : amide:sc= 0.611 K(o=0.61,f=-7!) USER MOD Single : A 122 MET CE :methyl 167:sc= -1.04 (180deg=-1.78) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0.436 USER MOD Single : A 129 GLN : amide:sc= -0.931 X(o=-0.93,f=-1.1) USER MOD Single : A 132 LYS NZ :NH3+ 145:sc= 1.19 (180deg=0.982) USER MOD ----------------------------------------------------------------- ATOM 214 N SER A 16 6.176 19.321 6.543 1.00 53.23 N ATOM 215 CA SER A 16 5.286 20.242 7.214 1.00 51.53 C ATOM 216 C SER A 16 3.954 19.539 7.527 1.00 5.20 C ATOM 217 O SER A 16 3.580 18.584 6.837 1.00 15.52 O ATOM 218 CB SER A 16 5.069 21.459 6.319 1.00 52.32 C ATOM 219 OG SER A 16 6.331 21.950 5.846 1.00 25.14 O ATOM 0 HA SER A 16 5.723 20.572 8.157 1.00 51.53 H new ATOM 0 HB2 SER A 16 4.434 21.191 5.475 1.00 52.32 H new ATOM 0 HB3 SER A 16 4.550 22.241 6.873 1.00 52.32 H new ATOM 0 HG SER A 16 6.944 21.198 5.710 1.00 25.14 H new ATOM 225 N VAL A 17 3.271 19.983 8.567 1.00 32.33 N ATOM 226 CA VAL A 17 2.007 19.384 8.970 1.00 3.14 C ATOM 227 C VAL A 17 0.885 19.967 8.143 1.00 51.01 C ATOM 228 O VAL A 17 0.630 21.176 8.191 1.00 64.35 O ATOM 229 CB VAL A 17 1.697 19.650 10.472 1.00 54.30 C ATOM 230 CG1 VAL A 17 0.393 18.977 10.891 1.00 40.23 C ATOM 231 CG2 VAL A 17 2.835 19.175 11.346 1.00 31.11 C ATOM 0 H VAL A 17 3.572 20.762 9.153 1.00 32.33 H new ATOM 0 HA VAL A 17 2.089 18.308 8.814 1.00 3.14 H new ATOM 0 HB VAL A 17 1.584 20.726 10.602 1.00 54.30 H new ATOM 0 HG11 VAL A 17 0.201 19.179 11.945 1.00 40.23 H new ATOM 0 HG12 VAL A 17 -0.428 19.369 10.291 1.00 40.23 H new ATOM 0 HG13 VAL A 17 0.473 17.901 10.737 1.00 40.23 H new ATOM 0 HG21 VAL A 17 2.597 19.371 12.392 1.00 31.11 H new ATOM 0 HG22 VAL A 17 2.982 18.105 11.202 1.00 31.11 H new ATOM 0 HG23 VAL A 17 3.748 19.707 11.076 1.00 31.11 H new ATOM 241 N PHE A 18 0.245 19.144 7.375 1.00 72.51 N ATOM 242 CA PHE A 18 -0.853 19.594 6.575 1.00 64.53 C ATOM 243 C PHE A 18 -2.084 18.774 6.890 1.00 33.35 C ATOM 244 O PHE A 18 -1.996 17.565 7.141 1.00 24.44 O ATOM 245 CB PHE A 18 -0.525 19.571 5.058 1.00 25.33 C ATOM 246 CG PHE A 18 -0.351 18.200 4.437 1.00 34.22 C ATOM 247 CD1 PHE A 18 0.836 17.500 4.571 1.00 24.21 C ATOM 248 CD2 PHE A 18 -1.381 17.625 3.703 1.00 42.33 C ATOM 249 CE1 PHE A 18 0.988 16.259 3.989 1.00 54.21 C ATOM 250 CE2 PHE A 18 -1.230 16.383 3.122 1.00 24.35 C ATOM 251 CZ PHE A 18 -0.044 15.699 3.265 1.00 22.44 C ATOM 0 H PHE A 18 0.464 18.152 7.284 1.00 72.51 H new ATOM 0 HA PHE A 18 -1.050 20.636 6.826 1.00 64.53 H new ATOM 0 HB2 PHE A 18 -1.322 20.090 4.526 1.00 25.33 H new ATOM 0 HB3 PHE A 18 0.390 20.140 4.896 1.00 25.33 H new ATOM 0 HD1 PHE A 18 1.650 17.930 5.136 1.00 24.21 H new ATOM 0 HD2 PHE A 18 -2.313 18.158 3.586 1.00 42.33 H new ATOM 0 HE1 PHE A 18 1.919 15.723 4.101 1.00 54.21 H new ATOM 0 HE2 PHE A 18 -2.041 15.948 2.556 1.00 24.35 H new ATOM 0 HZ PHE A 18 0.078 14.726 2.812 1.00 22.44 H new ATOM 261 N ARG A 19 -3.205 19.416 6.946 1.00 23.24 N ATOM 262 CA ARG A 19 -4.437 18.724 7.130 1.00 22.53 C ATOM 263 C ARG A 19 -5.061 18.507 5.772 1.00 62.01 C ATOM 264 O ARG A 19 -5.491 19.451 5.113 1.00 44.31 O ATOM 265 CB ARG A 19 -5.377 19.487 8.060 1.00 13.54 C ATOM 266 CG ARG A 19 -6.724 18.808 8.255 1.00 32.55 C ATOM 267 CD ARG A 19 -7.603 19.572 9.225 1.00 14.31 C ATOM 268 NE ARG A 19 -7.753 20.984 8.848 1.00 54.33 N ATOM 269 CZ ARG A 19 -8.899 21.574 8.484 1.00 10.10 C ATOM 270 NH1 ARG A 19 -9.963 20.843 8.167 1.00 63.23 N ATOM 271 NH2 ARG A 19 -8.952 22.891 8.353 1.00 41.12 N ATOM 0 H ARG A 19 -3.292 20.429 6.866 1.00 23.24 H new ATOM 0 HA ARG A 19 -4.249 17.763 7.609 1.00 22.53 H new ATOM 0 HB2 ARG A 19 -4.896 19.607 9.031 1.00 13.54 H new ATOM 0 HB3 ARG A 19 -5.539 20.487 7.659 1.00 13.54 H new ATOM 0 HG2 ARG A 19 -7.231 18.723 7.294 1.00 32.55 H new ATOM 0 HG3 ARG A 19 -6.570 17.794 8.625 1.00 32.55 H new ATOM 0 HD2 ARG A 19 -8.586 19.103 9.268 1.00 14.31 H new ATOM 0 HD3 ARG A 19 -7.176 19.509 10.226 1.00 14.31 H new ATOM 0 HE ARG A 19 -6.914 21.564 8.865 1.00 54.33 H new ATOM 0 HH11 ARG A 19 -9.910 19.825 8.200 1.00 63.23 H new ATOM 0 HH12 ARG A 19 -10.832 21.300 7.891 1.00 63.23 H new ATOM 0 HH21 ARG A 19 -8.121 23.455 8.529 1.00 41.12 H new ATOM 0 HH22 ARG A 19 -9.824 23.341 8.076 1.00 41.12 H new ATOM 285 N ALA A 20 -5.049 17.278 5.337 1.00 15.31 N ATOM 286 CA ALA A 20 -5.575 16.912 4.044 1.00 21.32 C ATOM 287 C ALA A 20 -7.108 16.849 4.072 1.00 60.13 C ATOM 288 O ALA A 20 -7.734 17.133 5.099 1.00 0.22 O ATOM 289 CB ALA A 20 -4.986 15.574 3.629 1.00 44.13 C ATOM 0 H ALA A 20 -4.672 16.494 5.870 1.00 15.31 H new ATOM 0 HA ALA A 20 -5.294 17.672 3.315 1.00 21.32 H new ATOM 0 HB1 ALA A 20 -5.379 15.291 2.653 1.00 44.13 H new ATOM 0 HB2 ALA A 20 -3.900 15.656 3.574 1.00 44.13 H new ATOM 0 HB3 ALA A 20 -5.256 14.814 4.363 1.00 44.13 H new ATOM 295 N ASP A 21 -7.703 16.398 2.970 1.00 40.21 N ATOM 296 CA ASP A 21 -9.181 16.309 2.806 1.00 22.01 C ATOM 297 C ASP A 21 -9.768 15.169 3.634 1.00 24.34 C ATOM 298 O ASP A 21 -10.954 14.884 3.568 1.00 64.31 O ATOM 299 CB ASP A 21 -9.583 16.102 1.331 1.00 45.43 C ATOM 300 CG ASP A 21 -9.167 17.220 0.406 1.00 23.31 C ATOM 301 OD1 ASP A 21 -9.807 18.302 0.428 1.00 12.20 O ATOM 302 OD2 ASP A 21 -8.194 17.044 -0.366 1.00 13.00 O ATOM 0 H ASP A 21 -7.184 16.078 2.152 1.00 40.21 H new ATOM 0 HA ASP A 21 -9.583 17.260 3.157 1.00 22.01 H new ATOM 0 HB2 ASP A 21 -9.143 15.170 0.975 1.00 45.43 H new ATOM 0 HB3 ASP A 21 -10.665 15.985 1.276 1.00 45.43 H new ATOM 307 N LEU A 22 -8.930 14.563 4.440 1.00 53.31 N ATOM 308 CA LEU A 22 -9.253 13.423 5.283 1.00 34.03 C ATOM 309 C LEU A 22 -10.421 13.678 6.262 1.00 3.21 C ATOM 310 O LEU A 22 -11.145 12.746 6.630 1.00 42.10 O ATOM 311 CB LEU A 22 -7.966 12.922 5.983 1.00 34.43 C ATOM 312 CG LEU A 22 -7.050 13.997 6.628 1.00 4.30 C ATOM 313 CD1 LEU A 22 -7.618 14.559 7.918 1.00 52.24 C ATOM 314 CD2 LEU A 22 -5.650 13.461 6.834 1.00 3.15 C ATOM 0 H LEU A 22 -7.959 14.860 4.535 1.00 53.31 H new ATOM 0 HA LEU A 22 -9.631 12.628 4.640 1.00 34.03 H new ATOM 0 HB2 LEU A 22 -8.256 12.214 6.760 1.00 34.43 H new ATOM 0 HB3 LEU A 22 -7.376 12.369 5.252 1.00 34.43 H new ATOM 0 HG LEU A 22 -7.002 14.829 5.926 1.00 4.30 H new ATOM 0 HD11 LEU A 22 -6.934 15.305 8.322 1.00 52.24 H new ATOM 0 HD12 LEU A 22 -8.584 15.023 7.719 1.00 52.24 H new ATOM 0 HD13 LEU A 22 -7.744 13.753 8.641 1.00 52.24 H new ATOM 0 HD21 LEU A 22 -5.028 14.233 7.287 1.00 3.15 H new ATOM 0 HD22 LEU A 22 -5.686 12.592 7.491 1.00 3.15 H new ATOM 0 HD23 LEU A 22 -5.226 13.171 5.872 1.00 3.15 H new ATOM 326 N LEU A 23 -10.638 14.940 6.631 1.00 51.24 N ATOM 327 CA LEU A 23 -11.744 15.297 7.521 1.00 20.02 C ATOM 328 C LEU A 23 -13.070 15.178 6.766 1.00 30.10 C ATOM 329 O LEU A 23 -14.140 15.017 7.353 1.00 74.21 O ATOM 330 CB LEU A 23 -11.566 16.723 8.060 1.00 3.31 C ATOM 331 CG LEU A 23 -12.629 17.218 9.049 1.00 33.41 C ATOM 332 CD1 LEU A 23 -12.636 16.375 10.313 1.00 74.53 C ATOM 333 CD2 LEU A 23 -12.414 18.683 9.382 1.00 14.43 C ATOM 0 H LEU A 23 -10.066 15.729 6.330 1.00 51.24 H new ATOM 0 HA LEU A 23 -11.750 14.611 8.368 1.00 20.02 H new ATOM 0 HB2 LEU A 23 -10.592 16.785 8.546 1.00 3.31 H new ATOM 0 HB3 LEU A 23 -11.543 17.408 7.212 1.00 3.31 H new ATOM 0 HG LEU A 23 -13.603 17.115 8.572 1.00 33.41 H new ATOM 0 HD11 LEU A 23 -13.399 16.749 10.996 1.00 74.53 H new ATOM 0 HD12 LEU A 23 -12.854 15.338 10.058 1.00 74.53 H new ATOM 0 HD13 LEU A 23 -11.660 16.432 10.794 1.00 74.53 H new ATOM 0 HD21 LEU A 23 -13.179 19.012 10.085 1.00 14.43 H new ATOM 0 HD22 LEU A 23 -11.429 18.813 9.830 1.00 14.43 H new ATOM 0 HD23 LEU A 23 -12.479 19.277 8.470 1.00 14.43 H new ATOM 345 N LYS A 24 -12.987 15.253 5.464 1.00 35.42 N ATOM 346 CA LYS A 24 -14.141 15.114 4.625 1.00 72.42 C ATOM 347 C LYS A 24 -14.244 13.689 4.139 1.00 44.31 C ATOM 348 O LYS A 24 -15.339 13.161 3.976 1.00 32.01 O ATOM 349 CB LYS A 24 -14.087 16.090 3.461 1.00 64.44 C ATOM 350 CG LYS A 24 -14.074 17.546 3.901 1.00 14.32 C ATOM 351 CD LYS A 24 -14.090 18.503 2.722 1.00 34.03 C ATOM 352 CE LYS A 24 -15.348 18.351 1.872 1.00 32.25 C ATOM 353 NZ LYS A 24 -16.592 18.606 2.632 1.00 34.22 N ATOM 0 H LYS A 24 -12.116 15.412 4.958 1.00 35.42 H new ATOM 0 HA LYS A 24 -15.033 15.351 5.205 1.00 72.42 H new ATOM 0 HB2 LYS A 24 -13.195 15.888 2.867 1.00 64.44 H new ATOM 0 HB3 LYS A 24 -14.947 15.921 2.813 1.00 64.44 H new ATOM 0 HG2 LYS A 24 -14.939 17.740 4.535 1.00 14.32 H new ATOM 0 HG3 LYS A 24 -13.187 17.733 4.506 1.00 14.32 H new ATOM 0 HD2 LYS A 24 -14.022 19.528 3.087 1.00 34.03 H new ATOM 0 HD3 LYS A 24 -13.211 18.327 2.102 1.00 34.03 H new ATOM 0 HE2 LYS A 24 -15.296 19.040 1.029 1.00 32.25 H new ATOM 0 HE3 LYS A 24 -15.381 17.343 1.459 1.00 32.25 H new ATOM 0 HZ1 LYS A 24 -17.399 18.639 1.976 1.00 34.22 H new ATOM 0 HZ2 LYS A 24 -16.739 17.843 3.324 1.00 34.22 H new ATOM 0 HZ3 LYS A 24 -16.514 19.515 3.131 1.00 34.22 H new ATOM 367 N GLU A 25 -13.087 13.048 3.946 1.00 10.25 N ATOM 368 CA GLU A 25 -13.036 11.643 3.547 1.00 61.42 C ATOM 369 C GLU A 25 -13.775 10.770 4.535 1.00 5.30 C ATOM 370 O GLU A 25 -14.484 9.860 4.145 1.00 35.52 O ATOM 371 CB GLU A 25 -11.603 11.135 3.397 1.00 51.24 C ATOM 372 CG GLU A 25 -10.831 11.767 2.258 1.00 73.12 C ATOM 373 CD GLU A 25 -11.548 11.610 0.942 1.00 31.41 C ATOM 374 OE1 GLU A 25 -11.918 10.472 0.587 1.00 35.42 O ATOM 375 OE2 GLU A 25 -11.795 12.629 0.264 1.00 12.34 O ATOM 0 H GLU A 25 -12.172 13.484 4.061 1.00 10.25 H new ATOM 0 HA GLU A 25 -13.523 11.583 2.574 1.00 61.42 H new ATOM 0 HB2 GLU A 25 -11.067 11.317 4.328 1.00 51.24 H new ATOM 0 HB3 GLU A 25 -11.627 10.055 3.249 1.00 51.24 H new ATOM 0 HG2 GLU A 25 -10.679 12.826 2.465 1.00 73.12 H new ATOM 0 HG3 GLU A 25 -9.843 11.311 2.191 1.00 73.12 H new ATOM 382 N MET A 26 -13.648 11.080 5.821 1.00 13.40 N ATOM 383 CA MET A 26 -14.336 10.297 6.854 1.00 11.21 C ATOM 384 C MET A 26 -15.855 10.373 6.698 1.00 31.32 C ATOM 385 O MET A 26 -16.559 9.446 7.039 1.00 5.23 O ATOM 386 CB MET A 26 -13.898 10.685 8.284 1.00 64.03 C ATOM 387 CG MET A 26 -14.230 12.110 8.703 1.00 71.42 C ATOM 388 SD MET A 26 -13.710 12.491 10.397 1.00 51.24 S ATOM 389 CE MET A 26 -11.933 12.227 10.296 1.00 60.15 C ATOM 0 H MET A 26 -13.086 11.854 6.174 1.00 13.40 H new ATOM 0 HA MET A 26 -14.036 9.260 6.705 1.00 11.21 H new ATOM 0 HB2 MET A 26 -14.367 9.998 8.989 1.00 64.03 H new ATOM 0 HB3 MET A 26 -12.821 10.541 8.368 1.00 64.03 H new ATOM 0 HG2 MET A 26 -13.749 12.806 8.016 1.00 71.42 H new ATOM 0 HG3 MET A 26 -15.305 12.267 8.615 1.00 71.42 H new ATOM 0 HE1 MET A 26 -11.417 12.999 10.867 1.00 60.15 H new ATOM 0 HE2 MET A 26 -11.687 11.247 10.706 1.00 60.15 H new ATOM 0 HE3 MET A 26 -11.617 12.274 9.254 1.00 60.15 H new ATOM 399 N GLU A 27 -16.327 11.442 6.102 1.00 33.45 N ATOM 400 CA GLU A 27 -17.739 11.649 5.896 1.00 31.43 C ATOM 401 C GLU A 27 -18.177 11.004 4.585 1.00 72.52 C ATOM 402 O GLU A 27 -19.138 10.215 4.550 1.00 75.12 O ATOM 403 CB GLU A 27 -18.032 13.138 5.876 1.00 63.34 C ATOM 404 CG GLU A 27 -17.648 13.846 7.160 1.00 53.25 C ATOM 405 CD GLU A 27 -18.415 13.322 8.342 1.00 60.21 C ATOM 406 OE1 GLU A 27 -19.598 13.692 8.495 1.00 54.33 O ATOM 407 OE2 GLU A 27 -17.861 12.562 9.157 1.00 11.50 O ATOM 0 H GLU A 27 -15.739 12.195 5.745 1.00 33.45 H new ATOM 0 HA GLU A 27 -18.296 11.186 6.711 1.00 31.43 H new ATOM 0 HB2 GLU A 27 -17.496 13.595 5.044 1.00 63.34 H new ATOM 0 HB3 GLU A 27 -19.096 13.289 5.691 1.00 63.34 H new ATOM 0 HG2 GLU A 27 -16.580 13.722 7.337 1.00 53.25 H new ATOM 0 HG3 GLU A 27 -17.832 14.915 7.054 1.00 53.25 H new ATOM 414 N SER A 28 -17.440 11.298 3.523 1.00 23.02 N ATOM 415 CA SER A 28 -17.719 10.757 2.202 1.00 53.43 C ATOM 416 C SER A 28 -17.621 9.223 2.199 1.00 53.43 C ATOM 417 O SER A 28 -18.462 8.540 1.621 1.00 33.31 O ATOM 418 CB SER A 28 -16.758 11.364 1.185 1.00 3.22 C ATOM 419 OG SER A 28 -16.803 12.785 1.234 1.00 4.12 O ATOM 0 H SER A 28 -16.631 11.919 3.554 1.00 23.02 H new ATOM 0 HA SER A 28 -18.740 11.020 1.926 1.00 53.43 H new ATOM 0 HB2 SER A 28 -15.743 11.021 1.386 1.00 3.22 H new ATOM 0 HB3 SER A 28 -17.017 11.022 0.183 1.00 3.22 H new ATOM 0 HG SER A 28 -16.292 13.102 2.008 1.00 4.12 H new ATOM 425 N SER A 29 -16.611 8.693 2.872 1.00 43.42 N ATOM 426 CA SER A 29 -16.436 7.262 2.983 1.00 52.51 C ATOM 427 C SER A 29 -17.320 6.712 4.122 1.00 12.54 C ATOM 428 O SER A 29 -17.532 5.514 4.224 1.00 53.01 O ATOM 429 CB SER A 29 -14.969 6.941 3.240 1.00 74.13 C ATOM 430 OG SER A 29 -14.116 7.550 2.276 1.00 61.03 O ATOM 0 H SER A 29 -15.897 9.242 3.351 1.00 43.42 H new ATOM 0 HA SER A 29 -16.738 6.787 2.050 1.00 52.51 H new ATOM 0 HB2 SER A 29 -14.692 7.282 4.237 1.00 74.13 H new ATOM 0 HB3 SER A 29 -14.825 5.861 3.221 1.00 74.13 H new ATOM 0 HG SER A 29 -13.930 8.475 2.541 1.00 61.03 H new ATOM 436 N THR A 30 -17.774 7.625 4.990 1.00 12.41 N ATOM 437 CA THR A 30 -18.702 7.344 6.091 1.00 15.34 C ATOM 438 C THR A 30 -18.105 6.452 7.203 1.00 43.34 C ATOM 439 O THR A 30 -17.970 5.225 7.043 1.00 53.23 O ATOM 440 CB THR A 30 -20.029 6.759 5.559 1.00 34.02 C ATOM 441 OG1 THR A 30 -20.549 7.649 4.543 1.00 1.33 O ATOM 442 CG2 THR A 30 -21.060 6.619 6.678 1.00 25.33 C ATOM 0 H THR A 30 -17.498 8.606 4.944 1.00 12.41 H new ATOM 0 HA THR A 30 -18.903 8.306 6.563 1.00 15.34 H new ATOM 0 HB THR A 30 -19.837 5.768 5.147 1.00 34.02 H new ATOM 0 HG1 THR A 30 -20.093 8.514 4.602 1.00 1.33 H new ATOM 0 HG21 THR A 30 -21.983 6.205 6.272 1.00 25.33 H new ATOM 0 HG22 THR A 30 -20.672 5.954 7.449 1.00 25.33 H new ATOM 0 HG23 THR A 30 -21.262 7.599 7.112 1.00 25.33 H new ATOM 450 N GLY A 31 -17.715 7.092 8.303 1.00 32.21 N ATOM 451 CA GLY A 31 -17.224 6.394 9.474 1.00 22.12 C ATOM 452 C GLY A 31 -15.996 5.583 9.191 1.00 33.04 C ATOM 453 O GLY A 31 -15.136 6.006 8.420 1.00 11.31 O ATOM 0 H GLY A 31 -17.733 8.107 8.401 1.00 32.21 H new ATOM 0 HA2 GLY A 31 -17.003 7.119 10.258 1.00 22.12 H new ATOM 0 HA3 GLY A 31 -18.007 5.739 9.856 1.00 22.12 H new ATOM 457 N THR A 32 -15.915 4.428 9.784 1.00 53.00 N ATOM 458 CA THR A 32 -14.812 3.543 9.577 1.00 75.00 C ATOM 459 C THR A 32 -15.303 2.259 8.906 1.00 42.32 C ATOM 460 O THR A 32 -16.479 1.875 9.058 1.00 50.35 O ATOM 461 CB THR A 32 -14.031 3.243 10.906 1.00 42.33 C ATOM 462 OG1 THR A 32 -12.908 2.399 10.652 1.00 2.14 O ATOM 463 CG2 THR A 32 -14.912 2.594 11.958 1.00 30.21 C ATOM 0 H THR A 32 -16.620 4.073 10.430 1.00 53.00 H new ATOM 0 HA THR A 32 -14.099 4.035 8.916 1.00 75.00 H new ATOM 0 HB THR A 32 -13.693 4.205 11.291 1.00 42.33 H new ATOM 0 HG1 THR A 32 -12.287 2.854 10.045 1.00 2.14 H new ATOM 0 HG21 THR A 32 -14.326 2.406 12.858 1.00 30.21 H new ATOM 0 HG22 THR A 32 -15.742 3.258 12.197 1.00 30.21 H new ATOM 0 HG23 THR A 32 -15.301 1.650 11.575 1.00 30.21 H new ATOM 471 N ALA A 33 -14.459 1.652 8.119 1.00 0.10 N ATOM 472 CA ALA A 33 -14.782 0.410 7.467 1.00 34.32 C ATOM 473 C ALA A 33 -13.822 -0.659 7.971 1.00 33.32 C ATOM 474 O ALA A 33 -12.637 -0.593 7.680 1.00 43.02 O ATOM 475 CB ALA A 33 -14.683 0.567 5.961 1.00 1.14 C ATOM 0 H ALA A 33 -13.525 2.004 7.910 1.00 0.10 H new ATOM 0 HA ALA A 33 -15.806 0.116 7.699 1.00 34.32 H new ATOM 0 HB1 ALA A 33 -14.930 -0.379 5.480 1.00 1.14 H new ATOM 0 HB2 ALA A 33 -15.381 1.336 5.629 1.00 1.14 H new ATOM 0 HB3 ALA A 33 -13.668 0.857 5.691 1.00 1.14 H new ATOM 481 N PRO A 34 -14.317 -1.637 8.750 1.00 42.30 N ATOM 482 CA PRO A 34 -13.467 -2.663 9.384 1.00 32.13 C ATOM 483 C PRO A 34 -12.746 -3.569 8.380 1.00 45.40 C ATOM 484 O PRO A 34 -13.280 -3.885 7.299 1.00 20.31 O ATOM 485 CB PRO A 34 -14.456 -3.485 10.222 1.00 60.41 C ATOM 486 CG PRO A 34 -15.782 -3.245 9.592 1.00 70.42 C ATOM 487 CD PRO A 34 -15.741 -1.840 9.070 1.00 42.41 C ATOM 0 HA PRO A 34 -12.665 -2.202 9.960 1.00 32.13 H new ATOM 0 HB2 PRO A 34 -14.199 -4.544 10.210 1.00 60.41 H new ATOM 0 HB3 PRO A 34 -14.450 -3.167 11.265 1.00 60.41 H new ATOM 0 HG2 PRO A 34 -15.966 -3.956 8.786 1.00 70.42 H new ATOM 0 HG3 PRO A 34 -16.587 -3.369 10.317 1.00 70.42 H new ATOM 0 HD2 PRO A 34 -16.372 -1.720 8.189 1.00 42.41 H new ATOM 0 HD3 PRO A 34 -16.092 -1.124 9.814 1.00 42.41 H new ATOM 495 N ALA A 35 -11.547 -3.966 8.726 1.00 31.43 N ATOM 496 CA ALA A 35 -10.763 -4.858 7.905 1.00 20.14 C ATOM 497 C ALA A 35 -10.889 -6.283 8.415 1.00 44.32 C ATOM 498 O ALA A 35 -11.306 -6.513 9.566 1.00 70.45 O ATOM 499 CB ALA A 35 -9.317 -4.433 7.900 1.00 42.12 C ATOM 0 H ALA A 35 -11.084 -3.679 9.588 1.00 31.43 H new ATOM 0 HA ALA A 35 -11.141 -4.814 6.884 1.00 20.14 H new ATOM 0 HB1 ALA A 35 -8.739 -5.116 7.277 1.00 42.12 H new ATOM 0 HB2 ALA A 35 -9.236 -3.422 7.502 1.00 42.12 H new ATOM 0 HB3 ALA A 35 -8.928 -4.454 8.918 1.00 42.12 H new ATOM 505 N SER A 36 -10.536 -7.228 7.585 1.00 60.14 N ATOM 506 CA SER A 36 -10.643 -8.617 7.925 1.00 62.42 C ATOM 507 C SER A 36 -9.325 -9.133 8.486 1.00 63.11 C ATOM 508 O SER A 36 -8.290 -9.145 7.793 1.00 54.12 O ATOM 509 CB SER A 36 -11.047 -9.402 6.689 1.00 20.34 C ATOM 510 OG SER A 36 -12.216 -8.833 6.118 1.00 33.30 O ATOM 0 H SER A 36 -10.165 -7.053 6.651 1.00 60.14 H new ATOM 0 HA SER A 36 -11.404 -8.744 8.695 1.00 62.42 H new ATOM 0 HB2 SER A 36 -10.235 -9.395 5.961 1.00 20.34 H new ATOM 0 HB3 SER A 36 -11.230 -10.444 6.952 1.00 20.34 H new ATOM 0 HG SER A 36 -12.471 -9.342 5.320 1.00 33.30 H new ATOM 516 N THR A 37 -9.359 -9.530 9.732 1.00 51.11 N ATOM 517 CA THR A 37 -8.212 -10.050 10.410 1.00 54.44 C ATOM 518 C THR A 37 -7.852 -11.415 9.825 1.00 54.53 C ATOM 519 O THR A 37 -8.510 -12.411 10.110 1.00 41.33 O ATOM 520 CB THR A 37 -8.541 -10.178 11.899 1.00 42.05 C ATOM 521 OG1 THR A 37 -9.049 -8.913 12.366 1.00 54.04 O ATOM 522 CG2 THR A 37 -7.316 -10.549 12.702 1.00 73.12 C ATOM 0 H THR A 37 -10.200 -9.498 10.308 1.00 51.11 H new ATOM 0 HA THR A 37 -7.360 -9.382 10.283 1.00 54.44 H new ATOM 0 HB THR A 37 -9.282 -10.967 12.028 1.00 42.05 H new ATOM 0 HG1 THR A 37 -8.799 -8.207 11.734 1.00 54.04 H new ATOM 0 HG21 THR A 37 -7.583 -10.632 13.756 1.00 73.12 H new ATOM 0 HG22 THR A 37 -6.926 -11.504 12.350 1.00 73.12 H new ATOM 0 HG23 THR A 37 -6.554 -9.779 12.580 1.00 73.12 H new ATOM 530 N GLY A 38 -6.863 -11.437 8.955 1.00 55.12 N ATOM 531 CA GLY A 38 -6.491 -12.664 8.315 1.00 2.01 C ATOM 532 C GLY A 38 -5.045 -12.700 7.911 1.00 54.22 C ATOM 533 O GLY A 38 -4.711 -13.146 6.817 1.00 53.31 O ATOM 0 H GLY A 38 -6.312 -10.623 8.682 1.00 55.12 H new ATOM 0 HA2 GLY A 38 -6.695 -13.496 8.990 1.00 2.01 H new ATOM 0 HA3 GLY A 38 -7.113 -12.810 7.432 1.00 2.01 H new ATOM 537 N ALA A 39 -4.181 -12.250 8.785 1.00 41.25 N ATOM 538 CA ALA A 39 -2.759 -12.276 8.503 1.00 3.12 C ATOM 539 C ALA A 39 -2.226 -13.611 8.964 1.00 60.22 C ATOM 540 O ALA A 39 -1.472 -14.275 8.269 1.00 52.14 O ATOM 541 CB ALA A 39 -2.040 -11.132 9.209 1.00 74.32 C ATOM 0 H ALA A 39 -4.430 -11.862 9.695 1.00 41.25 H new ATOM 0 HA ALA A 39 -2.586 -12.147 7.435 1.00 3.12 H new ATOM 0 HB1 ALA A 39 -0.975 -11.175 8.980 1.00 74.32 H new ATOM 0 HB2 ALA A 39 -2.446 -10.180 8.866 1.00 74.32 H new ATOM 0 HB3 ALA A 39 -2.184 -11.221 10.286 1.00 74.32 H new ATOM 547 N GLU A 40 -2.737 -14.036 10.103 1.00 21.55 N ATOM 548 CA GLU A 40 -2.400 -15.297 10.741 1.00 53.11 C ATOM 549 C GLU A 40 -3.066 -16.480 10.028 1.00 25.43 C ATOM 550 O GLU A 40 -2.882 -17.646 10.400 1.00 25.33 O ATOM 551 CB GLU A 40 -2.764 -15.284 12.248 1.00 14.43 C ATOM 552 CG GLU A 40 -4.167 -14.758 12.605 1.00 44.23 C ATOM 553 CD GLU A 40 -4.279 -13.234 12.586 1.00 3.15 C ATOM 554 OE1 GLU A 40 -4.497 -12.647 11.516 1.00 65.11 O ATOM 555 OE2 GLU A 40 -4.135 -12.592 13.660 1.00 2.43 O ATOM 0 H GLU A 40 -3.423 -13.495 10.630 1.00 21.55 H new ATOM 0 HA GLU A 40 -1.320 -15.423 10.660 1.00 53.11 H new ATOM 0 HB2 GLU A 40 -2.671 -16.300 12.631 1.00 14.43 H new ATOM 0 HB3 GLU A 40 -2.027 -14.677 12.773 1.00 14.43 H new ATOM 0 HG2 GLU A 40 -4.890 -15.175 11.904 1.00 44.23 H new ATOM 0 HG3 GLU A 40 -4.439 -15.120 13.596 1.00 44.23 H new ATOM 562 N ASN A 41 -3.838 -16.166 9.013 1.00 61.14 N ATOM 563 CA ASN A 41 -4.468 -17.168 8.182 1.00 33.31 C ATOM 564 C ASN A 41 -3.492 -17.637 7.146 1.00 52.12 C ATOM 565 O ASN A 41 -3.514 -18.800 6.748 1.00 30.34 O ATOM 566 CB ASN A 41 -5.732 -16.626 7.508 1.00 63.12 C ATOM 567 CG ASN A 41 -6.916 -16.546 8.446 1.00 43.55 C ATOM 568 OD1 ASN A 41 -7.101 -15.562 9.148 1.00 41.42 O ATOM 569 ND2 ASN A 41 -7.742 -17.554 8.434 1.00 72.41 N ATOM 0 H ASN A 41 -4.048 -15.206 8.739 1.00 61.14 H new ATOM 0 HA ASN A 41 -4.766 -18.003 8.816 1.00 33.31 H new ATOM 0 HB2 ASN A 41 -5.526 -15.634 7.107 1.00 63.12 H new ATOM 0 HB3 ASN A 41 -5.988 -17.264 6.663 1.00 63.12 H new ATOM 0 HD21 ASN A 41 -8.575 -17.538 9.023 1.00 72.41 H new ATOM 0 HD22 ASN A 41 -7.556 -18.359 7.836 1.00 72.41 H new ATOM 576 N LEU A 42 -2.593 -16.719 6.750 1.00 25.04 N ATOM 577 CA LEU A 42 -1.565 -16.965 5.736 1.00 42.20 C ATOM 578 C LEU A 42 -2.142 -17.623 4.481 1.00 34.00 C ATOM 579 O LEU A 42 -2.098 -18.847 4.327 1.00 41.02 O ATOM 580 CB LEU A 42 -0.393 -17.767 6.313 1.00 12.43 C ATOM 581 CG LEU A 42 0.450 -17.056 7.381 1.00 0.12 C ATOM 582 CD1 LEU A 42 1.490 -17.998 7.952 1.00 12.43 C ATOM 583 CD2 LEU A 42 1.132 -15.822 6.796 1.00 2.12 C ATOM 0 H LEU A 42 -2.564 -15.774 7.133 1.00 25.04 H new ATOM 0 HA LEU A 42 -1.176 -15.994 5.429 1.00 42.20 H new ATOM 0 HB2 LEU A 42 -0.786 -18.688 6.743 1.00 12.43 H new ATOM 0 HB3 LEU A 42 0.264 -18.054 5.492 1.00 12.43 H new ATOM 0 HG LEU A 42 -0.217 -16.740 8.183 1.00 0.12 H new ATOM 0 HD11 LEU A 42 2.078 -17.476 8.707 1.00 12.43 H new ATOM 0 HD12 LEU A 42 0.994 -18.855 8.407 1.00 12.43 H new ATOM 0 HD13 LEU A 42 2.148 -18.341 7.153 1.00 12.43 H new ATOM 0 HD21 LEU A 42 1.724 -15.333 7.569 1.00 2.12 H new ATOM 0 HD22 LEU A 42 1.783 -16.121 5.975 1.00 2.12 H new ATOM 0 HD23 LEU A 42 0.376 -15.130 6.426 1.00 2.12 H new ATOM 595 N PRO A 43 -2.739 -16.819 3.591 1.00 74.44 N ATOM 596 CA PRO A 43 -3.395 -17.335 2.390 1.00 23.32 C ATOM 597 C PRO A 43 -2.389 -17.908 1.393 1.00 44.11 C ATOM 598 O PRO A 43 -2.417 -19.096 1.071 1.00 53.45 O ATOM 599 CB PRO A 43 -4.109 -16.114 1.798 1.00 31.40 C ATOM 600 CG PRO A 43 -3.982 -15.017 2.809 1.00 71.20 C ATOM 601 CD PRO A 43 -2.824 -15.358 3.686 1.00 34.54 C ATOM 0 HA PRO A 43 -4.075 -18.155 2.620 1.00 23.32 H new ATOM 0 HB2 PRO A 43 -3.657 -15.822 0.850 1.00 31.40 H new ATOM 0 HB3 PRO A 43 -5.157 -16.337 1.597 1.00 31.40 H new ATOM 0 HG2 PRO A 43 -3.823 -14.057 2.317 1.00 71.20 H new ATOM 0 HG3 PRO A 43 -4.896 -14.927 3.396 1.00 71.20 H new ATOM 0 HD2 PRO A 43 -1.907 -14.880 3.343 1.00 34.54 H new ATOM 0 HD3 PRO A 43 -2.989 -15.032 4.713 1.00 34.54 H new ATOM 609 N ALA A 44 -1.494 -17.071 0.919 1.00 54.45 N ATOM 610 CA ALA A 44 -0.473 -17.517 -0.016 1.00 64.31 C ATOM 611 C ALA A 44 0.908 -17.123 0.462 1.00 31.24 C ATOM 612 O ALA A 44 1.905 -17.602 -0.043 1.00 43.24 O ATOM 613 CB ALA A 44 -0.727 -16.938 -1.398 1.00 22.02 C ATOM 0 H ALA A 44 -1.448 -16.081 1.161 1.00 54.45 H new ATOM 0 HA ALA A 44 -0.523 -18.604 -0.073 1.00 64.31 H new ATOM 0 HB1 ALA A 44 0.047 -17.282 -2.084 1.00 22.02 H new ATOM 0 HB2 ALA A 44 -1.703 -17.266 -1.756 1.00 22.02 H new ATOM 0 HB3 ALA A 44 -0.707 -15.849 -1.346 1.00 22.02 H new ATOM 619 N GLY A 45 0.964 -16.246 1.450 1.00 64.33 N ATOM 620 CA GLY A 45 2.257 -15.750 1.917 1.00 42.35 C ATOM 621 C GLY A 45 2.711 -14.549 1.103 1.00 22.12 C ATOM 622 O GLY A 45 3.787 -13.994 1.318 1.00 63.25 O ATOM 0 H GLY A 45 0.152 -15.867 1.938 1.00 64.33 H new ATOM 0 HA2 GLY A 45 2.185 -15.474 2.969 1.00 42.35 H new ATOM 0 HA3 GLY A 45 3.001 -16.543 1.846 1.00 42.35 H new ATOM 626 N SER A 46 1.876 -14.161 0.174 1.00 21.22 N ATOM 627 CA SER A 46 2.108 -13.030 -0.673 1.00 45.21 C ATOM 628 C SER A 46 1.036 -11.998 -0.351 1.00 61.32 C ATOM 629 O SER A 46 -0.044 -12.363 0.163 1.00 43.13 O ATOM 630 CB SER A 46 1.951 -13.471 -2.130 1.00 60.23 C ATOM 631 OG SER A 46 2.655 -14.676 -2.377 1.00 22.44 O ATOM 0 H SER A 46 0.995 -14.638 -0.016 1.00 21.22 H new ATOM 0 HA SER A 46 3.105 -12.618 -0.520 1.00 45.21 H new ATOM 0 HB2 SER A 46 0.894 -13.610 -2.359 1.00 60.23 H new ATOM 0 HB3 SER A 46 2.321 -12.688 -2.792 1.00 60.23 H new ATOM 0 HG SER A 46 2.537 -14.937 -3.314 1.00 22.44 H new ATOM 637 N ALA A 47 1.298 -10.750 -0.630 1.00 65.31 N ATOM 638 CA ALA A 47 0.337 -9.701 -0.383 1.00 31.43 C ATOM 639 C ALA A 47 0.496 -8.612 -1.415 1.00 4.41 C ATOM 640 O ALA A 47 1.567 -8.484 -1.995 1.00 11.31 O ATOM 641 CB ALA A 47 0.545 -9.141 0.997 1.00 71.53 C ATOM 0 H ALA A 47 2.178 -10.429 -1.033 1.00 65.31 H new ATOM 0 HA ALA A 47 -0.671 -10.109 -0.452 1.00 31.43 H new ATOM 0 HB1 ALA A 47 -0.181 -8.349 1.182 1.00 71.53 H new ATOM 0 HB2 ALA A 47 0.414 -9.933 1.735 1.00 71.53 H new ATOM 0 HB3 ALA A 47 1.553 -8.734 1.076 1.00 71.53 H new ATOM 647 N LEU A 48 -0.552 -7.865 -1.680 1.00 51.02 N ATOM 648 CA LEU A 48 -0.476 -6.770 -2.607 1.00 4.05 C ATOM 649 C LEU A 48 -1.302 -5.602 -2.097 1.00 54.04 C ATOM 650 O LEU A 48 -2.264 -5.793 -1.349 1.00 1.11 O ATOM 651 CB LEU A 48 -0.904 -7.194 -4.064 1.00 4.13 C ATOM 652 CG LEU A 48 -2.403 -7.536 -4.399 1.00 53.04 C ATOM 653 CD1 LEU A 48 -3.035 -8.553 -3.477 1.00 0.14 C ATOM 654 CD2 LEU A 48 -3.279 -6.297 -4.579 1.00 1.25 C ATOM 0 H LEU A 48 -1.472 -8.001 -1.260 1.00 51.02 H new ATOM 0 HA LEU A 48 0.565 -6.456 -2.675 1.00 4.05 H new ATOM 0 HB2 LEU A 48 -0.603 -6.388 -4.733 1.00 4.13 H new ATOM 0 HB3 LEU A 48 -0.310 -8.068 -4.330 1.00 4.13 H new ATOM 0 HG LEU A 48 -2.349 -8.026 -5.371 1.00 53.04 H new ATOM 0 HD11 LEU A 48 -4.067 -8.728 -3.781 1.00 0.14 H new ATOM 0 HD12 LEU A 48 -2.477 -9.488 -3.530 1.00 0.14 H new ATOM 0 HD13 LEU A 48 -3.017 -8.177 -2.454 1.00 0.14 H new ATOM 0 HD21 LEU A 48 -4.300 -6.603 -4.808 1.00 1.25 H new ATOM 0 HD22 LEU A 48 -3.273 -5.711 -3.660 1.00 1.25 H new ATOM 0 HD23 LEU A 48 -2.890 -5.692 -5.398 1.00 1.25 H new ATOM 666 N LEU A 49 -0.925 -4.423 -2.473 1.00 10.04 N ATOM 667 CA LEU A 49 -1.690 -3.249 -2.134 1.00 70.53 C ATOM 668 C LEU A 49 -1.996 -2.496 -3.403 1.00 35.40 C ATOM 669 O LEU A 49 -1.115 -2.316 -4.252 1.00 54.22 O ATOM 670 CB LEU A 49 -0.995 -2.320 -1.086 1.00 51.11 C ATOM 671 CG LEU A 49 0.305 -1.577 -1.488 1.00 33.51 C ATOM 672 CD1 LEU A 49 0.653 -0.540 -0.437 1.00 2.24 C ATOM 673 CD2 LEU A 49 1.474 -2.532 -1.640 1.00 21.03 C ATOM 0 H LEU A 49 -0.085 -4.238 -3.021 1.00 10.04 H new ATOM 0 HA LEU A 49 -2.608 -3.581 -1.650 1.00 70.53 H new ATOM 0 HB2 LEU A 49 -1.722 -1.569 -0.778 1.00 51.11 H new ATOM 0 HB3 LEU A 49 -0.771 -2.925 -0.207 1.00 51.11 H new ATOM 0 HG LEU A 49 0.123 -1.097 -2.450 1.00 33.51 H new ATOM 0 HD11 LEU A 49 1.567 -0.022 -0.726 1.00 2.24 H new ATOM 0 HD12 LEU A 49 -0.161 0.180 -0.353 1.00 2.24 H new ATOM 0 HD13 LEU A 49 0.803 -1.032 0.524 1.00 2.24 H new ATOM 0 HD21 LEU A 49 2.366 -1.973 -1.922 1.00 21.03 H new ATOM 0 HD22 LEU A 49 1.651 -3.044 -0.694 1.00 21.03 H new ATOM 0 HD23 LEU A 49 1.246 -3.266 -2.413 1.00 21.03 H new ATOM 685 N VAL A 50 -3.227 -2.112 -3.563 1.00 25.20 N ATOM 686 CA VAL A 50 -3.655 -1.401 -4.740 1.00 14.55 C ATOM 687 C VAL A 50 -3.949 0.050 -4.383 1.00 61.41 C ATOM 688 O VAL A 50 -4.507 0.340 -3.309 1.00 74.13 O ATOM 689 CB VAL A 50 -4.899 -2.087 -5.420 1.00 54.02 C ATOM 690 CG1 VAL A 50 -6.113 -2.136 -4.494 1.00 31.32 C ATOM 691 CG2 VAL A 50 -5.253 -1.420 -6.749 1.00 44.54 C ATOM 0 H VAL A 50 -3.968 -2.281 -2.882 1.00 25.20 H new ATOM 0 HA VAL A 50 -2.847 -1.429 -5.471 1.00 14.55 H new ATOM 0 HB VAL A 50 -4.609 -3.117 -5.627 1.00 54.02 H new ATOM 0 HG11 VAL A 50 -6.944 -2.618 -5.009 1.00 31.32 H new ATOM 0 HG12 VAL A 50 -5.864 -2.703 -3.597 1.00 31.32 H new ATOM 0 HG13 VAL A 50 -6.398 -1.122 -4.214 1.00 31.32 H new ATOM 0 HG21 VAL A 50 -6.116 -1.920 -7.189 1.00 44.54 H new ATOM 0 HG22 VAL A 50 -5.491 -0.370 -6.577 1.00 44.54 H new ATOM 0 HG23 VAL A 50 -4.405 -1.493 -7.430 1.00 44.54 H new ATOM 701 N VAL A 51 -3.529 0.956 -5.228 1.00 0.03 N ATOM 702 CA VAL A 51 -3.772 2.350 -4.992 1.00 42.30 C ATOM 703 C VAL A 51 -5.144 2.689 -5.552 1.00 31.34 C ATOM 704 O VAL A 51 -5.385 2.568 -6.755 1.00 20.00 O ATOM 705 CB VAL A 51 -2.702 3.247 -5.655 1.00 52.04 C ATOM 706 CG1 VAL A 51 -2.805 4.676 -5.140 1.00 71.32 C ATOM 707 CG2 VAL A 51 -1.296 2.689 -5.454 1.00 42.02 C ATOM 0 H VAL A 51 -3.017 0.750 -6.086 1.00 0.03 H new ATOM 0 HA VAL A 51 -3.726 2.538 -3.919 1.00 42.30 H new ATOM 0 HB VAL A 51 -2.895 3.256 -6.728 1.00 52.04 H new ATOM 0 HG11 VAL A 51 -2.043 5.291 -5.619 1.00 71.32 H new ATOM 0 HG12 VAL A 51 -3.792 5.076 -5.371 1.00 71.32 H new ATOM 0 HG13 VAL A 51 -2.653 4.686 -4.061 1.00 71.32 H new ATOM 0 HG21 VAL A 51 -0.571 3.347 -5.934 1.00 42.02 H new ATOM 0 HG22 VAL A 51 -1.078 2.626 -4.388 1.00 42.02 H new ATOM 0 HG23 VAL A 51 -1.232 1.695 -5.896 1.00 42.02 H new ATOM 717 N LYS A 52 -6.014 3.113 -4.679 1.00 54.05 N ATOM 718 CA LYS A 52 -7.402 3.388 -5.003 1.00 61.01 C ATOM 719 C LYS A 52 -7.574 4.878 -5.358 1.00 63.42 C ATOM 720 O LYS A 52 -8.407 5.252 -6.182 1.00 10.41 O ATOM 721 CB LYS A 52 -8.231 3.012 -3.768 1.00 25.51 C ATOM 722 CG LYS A 52 -9.744 3.018 -3.912 1.00 44.52 C ATOM 723 CD LYS A 52 -10.387 2.686 -2.561 1.00 52.24 C ATOM 724 CE LYS A 52 -11.900 2.518 -2.636 1.00 64.30 C ATOM 725 NZ LYS A 52 -12.305 1.356 -3.437 1.00 24.53 N ATOM 0 H LYS A 52 -5.782 3.283 -3.700 1.00 54.05 H new ATOM 0 HA LYS A 52 -7.732 2.811 -5.867 1.00 61.01 H new ATOM 0 HB2 LYS A 52 -7.927 2.015 -3.449 1.00 25.51 H new ATOM 0 HB3 LYS A 52 -7.967 3.698 -2.963 1.00 25.51 H new ATOM 0 HG2 LYS A 52 -10.083 3.994 -4.258 1.00 44.52 H new ATOM 0 HG3 LYS A 52 -10.052 2.289 -4.662 1.00 44.52 H new ATOM 0 HD2 LYS A 52 -9.946 1.768 -2.173 1.00 52.24 H new ATOM 0 HD3 LYS A 52 -10.152 3.478 -1.850 1.00 52.24 H new ATOM 0 HE2 LYS A 52 -12.300 2.415 -1.627 1.00 64.30 H new ATOM 0 HE3 LYS A 52 -12.340 3.419 -3.063 1.00 64.30 H new ATOM 0 HZ1 LYS A 52 -13.335 1.231 -3.371 1.00 24.53 H new ATOM 0 HZ2 LYS A 52 -12.038 1.509 -4.430 1.00 24.53 H new ATOM 0 HZ3 LYS A 52 -11.829 0.504 -3.078 1.00 24.53 H new ATOM 739 N ARG A 53 -6.765 5.710 -4.734 1.00 61.42 N ATOM 740 CA ARG A 53 -6.810 7.154 -4.941 1.00 41.42 C ATOM 741 C ARG A 53 -5.413 7.714 -4.805 1.00 64.32 C ATOM 742 O ARG A 53 -4.651 7.271 -3.929 1.00 34.01 O ATOM 743 CB ARG A 53 -7.762 7.821 -3.922 1.00 64.21 C ATOM 744 CG ARG A 53 -7.843 9.347 -3.989 1.00 71.33 C ATOM 745 CD ARG A 53 -8.392 9.856 -5.313 1.00 5.42 C ATOM 746 NE ARG A 53 -9.790 9.469 -5.547 1.00 71.25 N ATOM 747 CZ ARG A 53 -10.551 9.957 -6.542 1.00 15.32 C ATOM 748 NH1 ARG A 53 -10.066 10.881 -7.366 1.00 1.14 N ATOM 749 NH2 ARG A 53 -11.792 9.536 -6.700 1.00 54.03 N ATOM 0 H ARG A 53 -6.055 5.409 -4.067 1.00 61.42 H new ATOM 0 HA ARG A 53 -7.191 7.364 -5.940 1.00 41.42 H new ATOM 0 HB2 ARG A 53 -8.763 7.416 -4.069 1.00 64.21 H new ATOM 0 HB3 ARG A 53 -7.447 7.536 -2.918 1.00 64.21 H new ATOM 0 HG2 ARG A 53 -8.475 9.708 -3.177 1.00 71.33 H new ATOM 0 HG3 ARG A 53 -6.849 9.765 -3.829 1.00 71.33 H new ATOM 0 HD2 ARG A 53 -8.314 10.943 -5.338 1.00 5.42 H new ATOM 0 HD3 ARG A 53 -7.775 9.473 -6.126 1.00 5.42 H new ATOM 0 HE ARG A 53 -10.209 8.787 -4.915 1.00 71.25 H new ATOM 0 HH11 ARG A 53 -9.113 11.223 -7.245 1.00 1.14 H new ATOM 0 HH12 ARG A 53 -10.647 11.248 -8.119 1.00 1.14 H new ATOM 0 HH21 ARG A 53 -12.178 8.837 -6.065 1.00 54.03 H new ATOM 0 HH22 ARG A 53 -12.365 9.910 -7.457 1.00 54.03 H new ATOM 763 N GLY A 54 -5.071 8.633 -5.677 1.00 20.45 N ATOM 764 CA GLY A 54 -3.781 9.261 -5.659 1.00 34.50 C ATOM 765 C GLY A 54 -3.143 9.179 -7.026 1.00 30.13 C ATOM 766 O GLY A 54 -3.666 8.500 -7.888 1.00 71.22 O ATOM 0 H GLY A 54 -5.686 8.964 -6.420 1.00 20.45 H new ATOM 0 HA2 GLY A 54 -3.880 10.304 -5.358 1.00 34.50 H new ATOM 0 HA3 GLY A 54 -3.142 8.775 -4.921 1.00 34.50 H new ATOM 770 N PRO A 55 -2.017 9.861 -7.270 1.00 54.54 N ATOM 771 CA PRO A 55 -1.315 9.798 -8.565 1.00 55.21 C ATOM 772 C PRO A 55 -0.964 8.362 -9.012 1.00 31.02 C ATOM 773 O PRO A 55 -0.939 8.076 -10.205 1.00 63.41 O ATOM 774 CB PRO A 55 -0.047 10.606 -8.311 1.00 1.41 C ATOM 775 CG PRO A 55 -0.462 11.589 -7.282 1.00 51.33 C ATOM 776 CD PRO A 55 -1.400 10.852 -6.374 1.00 20.03 C ATOM 0 HA PRO A 55 -1.938 10.180 -9.373 1.00 55.21 H new ATOM 0 HB2 PRO A 55 0.767 9.974 -7.957 1.00 1.41 H new ATOM 0 HB3 PRO A 55 0.303 11.098 -9.218 1.00 1.41 H new ATOM 0 HG2 PRO A 55 0.399 11.967 -6.732 1.00 51.33 H new ATOM 0 HG3 PRO A 55 -0.953 12.449 -7.737 1.00 51.33 H new ATOM 0 HD2 PRO A 55 -0.872 10.376 -5.548 1.00 20.03 H new ATOM 0 HD3 PRO A 55 -2.143 11.518 -5.935 1.00 20.03 H new ATOM 784 N ASN A 56 -0.735 7.458 -8.064 1.00 42.12 N ATOM 785 CA ASN A 56 -0.437 6.061 -8.420 1.00 25.34 C ATOM 786 C ASN A 56 -1.702 5.204 -8.507 1.00 62.43 C ATOM 787 O ASN A 56 -1.605 3.983 -8.645 1.00 4.35 O ATOM 788 CB ASN A 56 0.520 5.396 -7.414 1.00 72.33 C ATOM 789 CG ASN A 56 1.894 6.016 -7.347 1.00 2.41 C ATOM 790 OD1 ASN A 56 2.376 6.612 -8.300 1.00 34.40 O ATOM 791 ND2 ASN A 56 2.546 5.849 -6.229 1.00 32.54 N ATOM 0 H ASN A 56 -0.748 7.654 -7.063 1.00 42.12 H new ATOM 0 HA ASN A 56 0.039 6.111 -9.399 1.00 25.34 H new ATOM 0 HB2 ASN A 56 0.069 5.437 -6.423 1.00 72.33 H new ATOM 0 HB3 ASN A 56 0.624 4.343 -7.674 1.00 72.33 H new ATOM 0 HD21 ASN A 56 3.490 6.221 -6.129 1.00 32.54 H new ATOM 0 HD22 ASN A 56 2.111 5.346 -5.455 1.00 32.54 H new ATOM 798 N ALA A 57 -2.887 5.834 -8.432 1.00 25.32 N ATOM 799 CA ALA A 57 -4.166 5.101 -8.453 1.00 62.54 C ATOM 800 C ALA A 57 -4.274 4.213 -9.665 1.00 35.25 C ATOM 801 O ALA A 57 -3.991 4.641 -10.795 1.00 1.45 O ATOM 802 CB ALA A 57 -5.355 6.040 -8.394 1.00 53.51 C ATOM 0 H ALA A 57 -2.986 6.846 -8.356 1.00 25.32 H new ATOM 0 HA ALA A 57 -4.180 4.475 -7.561 1.00 62.54 H new ATOM 0 HB1 ALA A 57 -6.278 5.460 -8.412 1.00 53.51 H new ATOM 0 HB2 ALA A 57 -5.311 6.625 -7.475 1.00 53.51 H new ATOM 0 HB3 ALA A 57 -5.332 6.711 -9.253 1.00 53.51 H new ATOM 808 N GLY A 58 -4.650 2.988 -9.433 1.00 51.11 N ATOM 809 CA GLY A 58 -4.764 2.040 -10.494 1.00 32.12 C ATOM 810 C GLY A 58 -3.666 1.004 -10.457 1.00 32.03 C ATOM 811 O GLY A 58 -3.832 -0.100 -10.984 1.00 52.51 O ATOM 0 H GLY A 58 -4.884 2.624 -8.509 1.00 51.11 H new ATOM 0 HA2 GLY A 58 -5.732 1.543 -10.432 1.00 32.12 H new ATOM 0 HA3 GLY A 58 -4.735 2.563 -11.450 1.00 32.12 H new ATOM 815 N ALA A 59 -2.551 1.344 -9.846 1.00 61.32 N ATOM 816 CA ALA A 59 -1.431 0.425 -9.753 1.00 73.42 C ATOM 817 C ALA A 59 -1.524 -0.414 -8.483 1.00 14.04 C ATOM 818 O ALA A 59 -2.121 0.018 -7.483 1.00 1.23 O ATOM 819 CB ALA A 59 -0.109 1.185 -9.798 1.00 60.43 C ATOM 0 H ALA A 59 -2.394 2.250 -9.405 1.00 61.32 H new ATOM 0 HA ALA A 59 -1.471 -0.248 -10.609 1.00 73.42 H new ATOM 0 HB1 ALA A 59 0.719 0.480 -9.727 1.00 60.43 H new ATOM 0 HB2 ALA A 59 -0.037 1.735 -10.736 1.00 60.43 H new ATOM 0 HB3 ALA A 59 -0.063 1.884 -8.963 1.00 60.43 H new ATOM 825 N ARG A 60 -0.957 -1.603 -8.526 1.00 71.44 N ATOM 826 CA ARG A 60 -0.915 -2.485 -7.381 1.00 25.12 C ATOM 827 C ARG A 60 0.507 -3.002 -7.213 1.00 14.24 C ATOM 828 O ARG A 60 1.175 -3.351 -8.194 1.00 51.42 O ATOM 829 CB ARG A 60 -1.913 -3.666 -7.512 1.00 1.34 C ATOM 830 CG ARG A 60 -1.610 -4.643 -8.645 1.00 62.24 C ATOM 831 CD ARG A 60 -2.580 -5.817 -8.668 1.00 42.21 C ATOM 832 NE ARG A 60 -2.215 -6.799 -9.703 1.00 62.23 N ATOM 833 CZ ARG A 60 -2.713 -8.045 -9.812 1.00 63.50 C ATOM 834 NH1 ARG A 60 -3.699 -8.454 -9.010 1.00 51.41 N ATOM 835 NH2 ARG A 60 -2.249 -8.869 -10.753 1.00 10.32 N ATOM 0 H ARG A 60 -0.511 -1.984 -9.360 1.00 71.44 H new ATOM 0 HA ARG A 60 -1.217 -1.920 -6.499 1.00 25.12 H new ATOM 0 HB2 ARG A 60 -1.927 -4.217 -6.571 1.00 1.34 H new ATOM 0 HB3 ARG A 60 -2.914 -3.261 -7.659 1.00 1.34 H new ATOM 0 HG2 ARG A 60 -1.657 -4.117 -9.598 1.00 62.24 H new ATOM 0 HG3 ARG A 60 -0.592 -5.017 -8.537 1.00 62.24 H new ATOM 0 HD2 ARG A 60 -2.589 -6.302 -7.692 1.00 42.21 H new ATOM 0 HD3 ARG A 60 -3.590 -5.452 -8.852 1.00 42.21 H new ATOM 0 HE ARG A 60 -1.526 -6.510 -10.397 1.00 62.23 H new ATOM 0 HH11 ARG A 60 -4.081 -7.821 -8.308 1.00 51.41 H new ATOM 0 HH12 ARG A 60 -4.070 -9.400 -9.100 1.00 51.41 H new ATOM 0 HH21 ARG A 60 -1.517 -8.555 -11.390 1.00 10.32 H new ATOM 0 HH22 ARG A 60 -2.626 -9.813 -10.835 1.00 10.32 H new ATOM 849 N PHE A 61 0.974 -3.035 -6.005 1.00 50.35 N ATOM 850 CA PHE A 61 2.333 -3.460 -5.731 1.00 10.41 C ATOM 851 C PHE A 61 2.312 -4.735 -4.918 1.00 24.33 C ATOM 852 O PHE A 61 1.478 -4.886 -4.022 1.00 10.13 O ATOM 853 CB PHE A 61 3.101 -2.361 -4.988 1.00 2.30 C ATOM 854 CG PHE A 61 3.153 -1.042 -5.718 1.00 24.14 C ATOM 855 CD1 PHE A 61 4.110 -0.810 -6.691 1.00 25.02 C ATOM 856 CD2 PHE A 61 2.241 -0.033 -5.426 1.00 24.44 C ATOM 857 CE1 PHE A 61 4.162 0.401 -7.360 1.00 62.23 C ATOM 858 CE2 PHE A 61 2.288 1.177 -6.091 1.00 1.50 C ATOM 859 CZ PHE A 61 3.250 1.395 -7.059 1.00 61.42 C ATOM 0 H PHE A 61 0.438 -2.772 -5.178 1.00 50.35 H new ATOM 0 HA PHE A 61 2.843 -3.649 -6.675 1.00 10.41 H new ATOM 0 HB2 PHE A 61 2.639 -2.206 -4.013 1.00 2.30 H new ATOM 0 HB3 PHE A 61 4.120 -2.704 -4.807 1.00 2.30 H new ATOM 0 HD1 PHE A 61 4.825 -1.583 -6.931 1.00 25.02 H new ATOM 0 HD2 PHE A 61 1.487 -0.198 -4.670 1.00 24.44 H new ATOM 0 HE1 PHE A 61 4.914 0.569 -8.116 1.00 62.23 H new ATOM 0 HE2 PHE A 61 1.574 1.952 -5.855 1.00 1.50 H new ATOM 0 HZ PHE A 61 3.289 2.341 -7.579 1.00 61.42 H new ATOM 869 N LEU A 62 3.194 -5.638 -5.240 1.00 52.55 N ATOM 870 CA LEU A 62 3.277 -6.924 -4.587 1.00 34.34 C ATOM 871 C LEU A 62 4.349 -6.831 -3.495 1.00 44.25 C ATOM 872 O LEU A 62 5.483 -6.402 -3.754 1.00 71.51 O ATOM 873 CB LEU A 62 3.648 -8.000 -5.656 1.00 70.15 C ATOM 874 CG LEU A 62 3.431 -9.512 -5.338 1.00 70.11 C ATOM 875 CD1 LEU A 62 4.277 -10.015 -4.178 1.00 65.12 C ATOM 876 CD2 LEU A 62 1.961 -9.807 -5.100 1.00 20.13 C ATOM 0 H LEU A 62 3.889 -5.504 -5.975 1.00 52.55 H new ATOM 0 HA LEU A 62 2.329 -7.206 -4.129 1.00 34.34 H new ATOM 0 HB2 LEU A 62 3.080 -7.772 -6.558 1.00 70.15 H new ATOM 0 HB3 LEU A 62 4.702 -7.867 -5.900 1.00 70.15 H new ATOM 0 HG LEU A 62 3.767 -10.059 -6.219 1.00 70.11 H new ATOM 0 HD11 LEU A 62 4.075 -11.073 -4.013 1.00 65.12 H new ATOM 0 HD12 LEU A 62 5.333 -9.879 -4.412 1.00 65.12 H new ATOM 0 HD13 LEU A 62 4.030 -9.453 -3.277 1.00 65.12 H new ATOM 0 HD21 LEU A 62 1.834 -10.867 -4.880 1.00 20.13 H new ATOM 0 HD22 LEU A 62 1.603 -9.216 -4.257 1.00 20.13 H new ATOM 0 HD23 LEU A 62 1.389 -9.550 -5.992 1.00 20.13 H new ATOM 888 N LEU A 63 3.990 -7.217 -2.300 1.00 52.12 N ATOM 889 CA LEU A 63 4.892 -7.171 -1.179 1.00 75.13 C ATOM 890 C LEU A 63 5.443 -8.553 -0.884 1.00 20.55 C ATOM 891 O LEU A 63 4.693 -9.468 -0.515 1.00 41.20 O ATOM 892 CB LEU A 63 4.194 -6.610 0.069 1.00 41.41 C ATOM 893 CG LEU A 63 3.618 -5.195 -0.045 1.00 45.21 C ATOM 894 CD1 LEU A 63 2.990 -4.768 1.274 1.00 54.44 C ATOM 895 CD2 LEU A 63 4.692 -4.202 -0.470 1.00 41.03 C ATOM 0 H LEU A 63 3.061 -7.573 -2.075 1.00 52.12 H new ATOM 0 HA LEU A 63 5.716 -6.507 -1.441 1.00 75.13 H new ATOM 0 HB2 LEU A 63 3.384 -7.287 0.339 1.00 41.41 H new ATOM 0 HB3 LEU A 63 4.908 -6.622 0.893 1.00 41.41 H new ATOM 0 HG LEU A 63 2.844 -5.205 -0.812 1.00 45.21 H new ATOM 0 HD11 LEU A 63 2.586 -3.761 1.175 1.00 54.44 H new ATOM 0 HD12 LEU A 63 2.187 -5.457 1.535 1.00 54.44 H new ATOM 0 HD13 LEU A 63 3.747 -4.780 2.058 1.00 54.44 H new ATOM 0 HD21 LEU A 63 4.257 -3.205 -0.544 1.00 41.03 H new ATOM 0 HD22 LEU A 63 5.494 -4.195 0.269 1.00 41.03 H new ATOM 0 HD23 LEU A 63 5.095 -4.495 -1.440 1.00 41.03 H new ATOM 907 N ASP A 64 6.728 -8.705 -1.097 1.00 65.55 N ATOM 908 CA ASP A 64 7.452 -9.944 -0.797 1.00 70.45 C ATOM 909 C ASP A 64 8.726 -9.590 -0.026 1.00 53.21 C ATOM 910 O ASP A 64 9.521 -10.454 0.369 1.00 32.34 O ATOM 911 CB ASP A 64 7.797 -10.706 -2.097 1.00 63.32 C ATOM 912 CG ASP A 64 8.478 -12.048 -1.851 1.00 10.12 C ATOM 913 OD1 ASP A 64 7.801 -13.007 -1.415 1.00 33.01 O ATOM 914 OD2 ASP A 64 9.694 -12.188 -2.126 1.00 74.23 O ATOM 0 H ASP A 64 7.319 -7.971 -1.488 1.00 65.55 H new ATOM 0 HA ASP A 64 6.824 -10.597 -0.191 1.00 70.45 H new ATOM 0 HB2 ASP A 64 6.882 -10.870 -2.666 1.00 63.32 H new ATOM 0 HB3 ASP A 64 8.448 -10.084 -2.712 1.00 63.32 H new ATOM 919 N GLN A 65 8.866 -8.321 0.260 1.00 14.32 N ATOM 920 CA GLN A 65 10.024 -7.802 0.922 1.00 3.43 C ATOM 921 C GLN A 65 9.665 -7.457 2.352 1.00 64.33 C ATOM 922 O GLN A 65 8.606 -6.896 2.603 1.00 1.35 O ATOM 923 CB GLN A 65 10.640 -6.550 0.196 1.00 3.21 C ATOM 924 CG GLN A 65 9.747 -5.286 0.029 1.00 65.22 C ATOM 925 CD GLN A 65 8.675 -5.353 -1.077 1.00 3.01 C ATOM 926 OE1 GLN A 65 8.157 -6.398 -1.415 1.00 13.33 O ATOM 927 NE2 GLN A 65 8.343 -4.232 -1.646 1.00 53.02 N ATOM 0 H GLN A 65 8.167 -7.614 0.034 1.00 14.32 H new ATOM 0 HA GLN A 65 10.791 -8.576 0.898 1.00 3.43 H new ATOM 0 HB2 GLN A 65 11.536 -6.255 0.742 1.00 3.21 H new ATOM 0 HB3 GLN A 65 10.961 -6.865 -0.797 1.00 3.21 H new ATOM 0 HG2 GLN A 65 9.248 -5.091 0.978 1.00 65.22 H new ATOM 0 HG3 GLN A 65 10.395 -4.433 -0.172 1.00 65.22 H new ATOM 0 HE21 GLN A 65 8.785 -3.361 -1.353 1.00 53.02 H new ATOM 0 HE22 GLN A 65 7.640 -4.224 -2.385 1.00 53.02 H new ATOM 936 N PRO A 66 10.545 -7.802 3.314 1.00 22.20 N ATOM 937 CA PRO A 66 10.296 -7.593 4.751 1.00 3.21 C ATOM 938 C PRO A 66 10.084 -6.138 5.130 1.00 44.11 C ATOM 939 O PRO A 66 9.492 -5.841 6.163 1.00 21.32 O ATOM 940 CB PRO A 66 11.576 -8.106 5.427 1.00 63.20 C ATOM 941 CG PRO A 66 12.199 -9.006 4.434 1.00 71.14 C ATOM 942 CD PRO A 66 11.851 -8.452 3.090 1.00 33.41 C ATOM 0 HA PRO A 66 9.382 -8.104 5.054 1.00 3.21 H new ATOM 0 HB2 PRO A 66 12.242 -7.283 5.687 1.00 63.20 H new ATOM 0 HB3 PRO A 66 11.349 -8.636 6.352 1.00 63.20 H new ATOM 0 HG2 PRO A 66 13.280 -9.047 4.570 1.00 71.14 H new ATOM 0 HG3 PRO A 66 11.826 -10.024 4.544 1.00 71.14 H new ATOM 0 HD2 PRO A 66 12.600 -7.740 2.743 1.00 33.41 H new ATOM 0 HD3 PRO A 66 11.785 -9.237 2.337 1.00 33.41 H new ATOM 950 N THR A 67 10.550 -5.235 4.319 1.00 14.41 N ATOM 951 CA THR A 67 10.451 -3.844 4.643 1.00 42.24 C ATOM 952 C THR A 67 10.036 -3.071 3.410 1.00 45.03 C ATOM 953 O THR A 67 10.681 -3.173 2.373 1.00 33.40 O ATOM 954 CB THR A 67 11.819 -3.315 5.118 1.00 23.31 C ATOM 955 OG1 THR A 67 12.362 -4.200 6.117 1.00 74.54 O ATOM 956 CG2 THR A 67 11.679 -1.920 5.707 1.00 43.21 C ATOM 0 H THR A 67 11.003 -5.437 3.428 1.00 14.41 H new ATOM 0 HA THR A 67 9.713 -3.717 5.435 1.00 42.24 H new ATOM 0 HB THR A 67 12.489 -3.271 4.259 1.00 23.31 H new ATOM 0 HG1 THR A 67 13.232 -3.862 6.416 1.00 74.54 H new ATOM 0 HG21 THR A 67 12.655 -1.564 6.036 1.00 43.21 H new ATOM 0 HG22 THR A 67 11.283 -1.243 4.950 1.00 43.21 H new ATOM 0 HG23 THR A 67 10.998 -1.951 6.558 1.00 43.21 H new ATOM 964 N THR A 68 8.953 -2.361 3.496 1.00 52.30 N ATOM 965 CA THR A 68 8.532 -1.528 2.419 1.00 41.22 C ATOM 966 C THR A 68 8.232 -0.126 2.963 1.00 5.41 C ATOM 967 O THR A 68 7.302 0.051 3.710 1.00 11.33 O ATOM 968 CB THR A 68 7.248 -2.115 1.809 1.00 1.51 C ATOM 969 OG1 THR A 68 7.450 -3.505 1.539 1.00 30.53 O ATOM 970 CG2 THR A 68 6.896 -1.408 0.526 1.00 13.03 C ATOM 0 H THR A 68 8.341 -2.344 4.312 1.00 52.30 H new ATOM 0 HA THR A 68 9.313 -1.473 1.661 1.00 41.22 H new ATOM 0 HB THR A 68 6.431 -1.982 2.518 1.00 1.51 H new ATOM 0 HG1 THR A 68 6.801 -4.035 2.047 1.00 30.53 H new ATOM 0 HG21 THR A 68 5.985 -1.839 0.111 1.00 13.03 H new ATOM 0 HG22 THR A 68 6.738 -0.348 0.726 1.00 13.03 H new ATOM 0 HG23 THR A 68 7.710 -1.525 -0.189 1.00 13.03 H new ATOM 978 N THR A 69 9.017 0.845 2.601 1.00 51.21 N ATOM 979 CA THR A 69 8.770 2.208 3.027 1.00 42.51 C ATOM 980 C THR A 69 7.840 2.895 2.021 1.00 12.15 C ATOM 981 O THR A 69 7.948 2.660 0.822 1.00 62.44 O ATOM 982 CB THR A 69 10.110 2.986 3.139 1.00 34.32 C ATOM 983 OG1 THR A 69 10.993 2.304 4.053 1.00 71.31 O ATOM 984 CG2 THR A 69 9.900 4.419 3.626 1.00 32.12 C ATOM 0 H THR A 69 9.839 0.727 2.009 1.00 51.21 H new ATOM 0 HA THR A 69 8.294 2.198 4.008 1.00 42.51 H new ATOM 0 HB THR A 69 10.549 3.027 2.142 1.00 34.32 H new ATOM 0 HG1 THR A 69 11.838 2.796 4.120 1.00 71.31 H new ATOM 0 HG21 THR A 69 10.863 4.926 3.690 1.00 32.12 H new ATOM 0 HG22 THR A 69 9.255 4.950 2.926 1.00 32.12 H new ATOM 0 HG23 THR A 69 9.432 4.404 4.610 1.00 32.12 H new ATOM 992 N ALA A 70 6.925 3.686 2.501 1.00 14.40 N ATOM 993 CA ALA A 70 6.037 4.418 1.649 1.00 13.04 C ATOM 994 C ALA A 70 6.206 5.895 1.912 1.00 64.10 C ATOM 995 O ALA A 70 6.291 6.332 3.099 1.00 41.53 O ATOM 996 CB ALA A 70 4.597 3.995 1.888 1.00 20.51 C ATOM 0 H ALA A 70 6.774 3.841 3.498 1.00 14.40 H new ATOM 0 HA ALA A 70 6.279 4.206 0.608 1.00 13.04 H new ATOM 0 HB1 ALA A 70 3.937 4.562 1.231 1.00 20.51 H new ATOM 0 HB2 ALA A 70 4.491 2.931 1.678 1.00 20.51 H new ATOM 0 HB3 ALA A 70 4.329 4.188 2.927 1.00 20.51 H new ATOM 1002 N GLY A 71 6.278 6.656 0.844 1.00 33.21 N ATOM 1003 CA GLY A 71 6.414 8.066 0.963 1.00 11.51 C ATOM 1004 C GLY A 71 7.040 8.700 -0.258 1.00 71.12 C ATOM 1005 O GLY A 71 6.708 8.358 -1.402 1.00 11.34 O ATOM 0 H GLY A 71 6.243 6.309 -0.114 1.00 33.21 H new ATOM 0 HA2 GLY A 71 5.432 8.508 1.133 1.00 11.51 H new ATOM 0 HA3 GLY A 71 7.022 8.295 1.838 1.00 11.51 H new ATOM 1009 N ARG A 72 7.948 9.591 -0.002 1.00 71.12 N ATOM 1010 CA ARG A 72 8.626 10.407 -0.987 1.00 15.20 C ATOM 1011 C ARG A 72 10.106 10.122 -0.946 1.00 62.44 C ATOM 1012 O ARG A 72 10.610 9.635 0.082 1.00 42.25 O ATOM 1013 CB ARG A 72 8.367 11.889 -0.724 1.00 25.44 C ATOM 1014 CG ARG A 72 6.904 12.284 -0.822 1.00 55.03 C ATOM 1015 CD ARG A 72 6.391 12.244 -2.248 1.00 21.21 C ATOM 1016 NE ARG A 72 6.992 13.286 -3.084 1.00 4.22 N ATOM 1017 CZ ARG A 72 7.300 13.179 -4.389 1.00 72.24 C ATOM 1018 NH1 ARG A 72 7.086 12.047 -5.050 1.00 4.24 N ATOM 1019 NH2 ARG A 72 7.797 14.211 -5.020 1.00 4.22 N ATOM 0 H ARG A 72 8.260 9.786 0.949 1.00 71.12 H new ATOM 0 HA ARG A 72 8.240 10.162 -1.976 1.00 15.20 H new ATOM 0 HB2 ARG A 72 8.736 12.142 0.270 1.00 25.44 H new ATOM 0 HB3 ARG A 72 8.942 12.480 -1.437 1.00 25.44 H new ATOM 0 HG2 ARG A 72 6.307 11.613 -0.205 1.00 55.03 H new ATOM 0 HG3 ARG A 72 6.774 13.288 -0.419 1.00 55.03 H new ATOM 0 HD2 ARG A 72 6.603 11.266 -2.681 1.00 21.21 H new ATOM 0 HD3 ARG A 72 5.308 12.363 -2.246 1.00 21.21 H new ATOM 0 HE ARG A 72 7.196 14.178 -2.633 1.00 4.22 H new ATOM 0 HH11 ARG A 72 6.683 11.243 -4.568 1.00 4.24 H new ATOM 0 HH12 ARG A 72 7.325 11.981 -6.039 1.00 4.24 H new ATOM 0 HH21 ARG A 72 7.948 15.089 -4.523 1.00 4.22 H new ATOM 0 HH22 ARG A 72 8.033 14.138 -6.010 1.00 4.22 H new ATOM 1033 N HIS A 73 10.763 10.332 -2.091 1.00 51.43 N ATOM 1034 CA HIS A 73 12.208 10.136 -2.291 1.00 12.35 C ATOM 1035 C HIS A 73 12.483 8.650 -2.568 1.00 74.32 C ATOM 1036 O HIS A 73 11.809 7.790 -2.018 1.00 42.13 O ATOM 1037 CB HIS A 73 13.038 10.689 -1.075 1.00 4.33 C ATOM 1038 CG HIS A 73 14.505 10.888 -1.324 1.00 35.02 C ATOM 1039 ND1 HIS A 73 15.512 10.071 -0.837 1.00 42.32 N ATOM 1040 CD2 HIS A 73 15.126 11.863 -2.024 1.00 74.22 C ATOM 1041 CE1 HIS A 73 16.683 10.570 -1.253 1.00 10.13 C ATOM 1042 NE2 HIS A 73 16.502 11.661 -1.979 1.00 34.53 N ATOM 0 H HIS A 73 10.290 10.654 -2.935 1.00 51.43 H new ATOM 0 HA HIS A 73 12.535 10.710 -3.158 1.00 12.35 H new ATOM 0 HB2 HIS A 73 12.608 11.643 -0.769 1.00 4.33 H new ATOM 0 HB3 HIS A 73 12.921 10.002 -0.237 1.00 4.33 H new ATOM 0 HD2 HIS A 73 14.631 12.673 -2.539 1.00 74.22 H new ATOM 0 HE1 HIS A 73 17.647 10.139 -1.026 1.00 10.13 H new ATOM 0 HE2 HIS A 73 17.223 12.236 -2.416 1.00 34.53 H new ATOM 1050 N PRO A 74 13.452 8.325 -3.473 1.00 40.41 N ATOM 1051 CA PRO A 74 13.821 6.924 -3.840 1.00 43.52 C ATOM 1052 C PRO A 74 14.156 5.988 -2.651 1.00 42.21 C ATOM 1053 O PRO A 74 14.352 4.787 -2.843 1.00 11.41 O ATOM 1054 CB PRO A 74 15.054 7.093 -4.751 1.00 22.22 C ATOM 1055 CG PRO A 74 15.468 8.520 -4.595 1.00 44.15 C ATOM 1056 CD PRO A 74 14.219 9.281 -4.286 1.00 54.24 C ATOM 0 HA PRO A 74 12.968 6.432 -4.308 1.00 43.52 H new ATOM 0 HB2 PRO A 74 15.856 6.416 -4.456 1.00 22.22 H new ATOM 0 HB3 PRO A 74 14.810 6.866 -5.789 1.00 22.22 H new ATOM 0 HG2 PRO A 74 16.199 8.629 -3.794 1.00 44.15 H new ATOM 0 HG3 PRO A 74 15.936 8.892 -5.506 1.00 44.15 H new ATOM 0 HD2 PRO A 74 14.429 10.200 -3.739 1.00 54.24 H new ATOM 0 HD3 PRO A 74 13.683 9.564 -5.192 1.00 54.24 H new ATOM 1064 N GLU A 75 14.223 6.527 -1.447 1.00 22.23 N ATOM 1065 CA GLU A 75 14.442 5.706 -0.277 1.00 74.04 C ATOM 1066 C GLU A 75 13.137 5.036 0.145 1.00 31.12 C ATOM 1067 O GLU A 75 13.124 4.123 0.965 1.00 42.53 O ATOM 1068 CB GLU A 75 15.065 6.501 0.872 1.00 71.10 C ATOM 1069 CG GLU A 75 16.476 6.982 0.574 1.00 23.51 C ATOM 1070 CD GLU A 75 17.380 5.848 0.138 1.00 25.45 C ATOM 1071 OE1 GLU A 75 17.569 4.890 0.909 1.00 22.12 O ATOM 1072 OE2 GLU A 75 17.870 5.873 -1.020 1.00 42.03 O ATOM 0 H GLU A 75 14.129 7.525 -1.257 1.00 22.23 H new ATOM 0 HA GLU A 75 15.160 4.929 -0.539 1.00 74.04 H new ATOM 0 HB2 GLU A 75 14.434 7.362 1.093 1.00 71.10 H new ATOM 0 HB3 GLU A 75 15.082 5.880 1.767 1.00 71.10 H new ATOM 0 HG2 GLU A 75 16.443 7.741 -0.208 1.00 23.51 H new ATOM 0 HG3 GLU A 75 16.893 7.457 1.462 1.00 23.51 H new ATOM 1079 N SER A 76 12.051 5.501 -0.416 1.00 41.20 N ATOM 1080 CA SER A 76 10.783 4.894 -0.217 1.00 2.54 C ATOM 1081 C SER A 76 10.601 3.805 -1.270 1.00 32.30 C ATOM 1082 O SER A 76 10.922 4.004 -2.450 1.00 4.20 O ATOM 1083 CB SER A 76 9.676 5.946 -0.287 1.00 3.41 C ATOM 1084 OG SER A 76 9.844 6.912 0.747 1.00 23.23 O ATOM 0 H SER A 76 12.033 6.318 -1.026 1.00 41.20 H new ATOM 0 HA SER A 76 10.727 4.440 0.772 1.00 2.54 H new ATOM 0 HB2 SER A 76 9.694 6.438 -1.260 1.00 3.41 H new ATOM 0 HB3 SER A 76 8.702 5.466 -0.190 1.00 3.41 H new ATOM 0 HG SER A 76 10.103 7.771 0.353 1.00 23.23 H new ATOM 1090 N ASP A 77 10.130 2.657 -0.844 1.00 73.14 N ATOM 1091 CA ASP A 77 9.960 1.514 -1.726 1.00 72.53 C ATOM 1092 C ASP A 77 8.711 1.742 -2.562 1.00 1.02 C ATOM 1093 O ASP A 77 8.690 1.510 -3.775 1.00 31.12 O ATOM 1094 CB ASP A 77 9.851 0.229 -0.900 1.00 74.12 C ATOM 1095 CG ASP A 77 10.094 -1.035 -1.701 1.00 72.53 C ATOM 1096 OD1 ASP A 77 9.151 -1.599 -2.264 1.00 50.34 O ATOM 1097 OD2 ASP A 77 11.257 -1.500 -1.740 1.00 63.04 O ATOM 0 H ASP A 77 9.852 2.483 0.122 1.00 73.14 H new ATOM 0 HA ASP A 77 10.820 1.406 -2.387 1.00 72.53 H new ATOM 0 HB2 ASP A 77 10.569 0.273 -0.081 1.00 74.12 H new ATOM 0 HB3 ASP A 77 8.859 0.179 -0.452 1.00 74.12 H new ATOM 1102 N ILE A 78 7.681 2.233 -1.911 1.00 24.42 N ATOM 1103 CA ILE A 78 6.482 2.649 -2.585 1.00 3.33 C ATOM 1104 C ILE A 78 6.589 4.148 -2.765 1.00 31.14 C ATOM 1105 O ILE A 78 6.461 4.920 -1.798 1.00 23.12 O ATOM 1106 CB ILE A 78 5.183 2.302 -1.791 1.00 25.24 C ATOM 1107 CG1 ILE A 78 5.094 0.794 -1.507 1.00 3.43 C ATOM 1108 CG2 ILE A 78 3.936 2.775 -2.544 1.00 54.13 C ATOM 1109 CD1 ILE A 78 5.111 -0.092 -2.740 1.00 51.54 C ATOM 0 H ILE A 78 7.655 2.353 -0.898 1.00 24.42 H new ATOM 0 HA ILE A 78 6.401 2.120 -3.534 1.00 3.33 H new ATOM 0 HB ILE A 78 5.230 2.828 -0.838 1.00 25.24 H new ATOM 0 HG12 ILE A 78 5.926 0.511 -0.863 1.00 3.43 H new ATOM 0 HG13 ILE A 78 4.178 0.598 -0.949 1.00 3.43 H new ATOM 0 HG21 ILE A 78 3.046 2.521 -1.969 1.00 54.13 H new ATOM 0 HG22 ILE A 78 3.982 3.855 -2.682 1.00 54.13 H new ATOM 0 HG23 ILE A 78 3.891 2.286 -3.517 1.00 54.13 H new ATOM 0 HD11 ILE A 78 5.044 -1.137 -2.438 1.00 51.54 H new ATOM 0 HD12 ILE A 78 4.263 0.156 -3.378 1.00 51.54 H new ATOM 0 HD13 ILE A 78 6.038 0.068 -3.290 1.00 51.54 H new ATOM 1121 N PHE A 79 6.869 4.548 -3.969 1.00 42.41 N ATOM 1122 CA PHE A 79 7.091 5.930 -4.275 1.00 50.14 C ATOM 1123 C PHE A 79 5.764 6.596 -4.596 1.00 52.42 C ATOM 1124 O PHE A 79 5.139 6.319 -5.613 1.00 54.15 O ATOM 1125 CB PHE A 79 8.064 6.041 -5.460 1.00 4.15 C ATOM 1126 CG PHE A 79 8.566 7.433 -5.751 1.00 41.50 C ATOM 1127 CD1 PHE A 79 7.847 8.297 -6.559 1.00 14.02 C ATOM 1128 CD2 PHE A 79 9.774 7.866 -5.229 1.00 64.42 C ATOM 1129 CE1 PHE A 79 8.319 9.559 -6.840 1.00 31.42 C ATOM 1130 CE2 PHE A 79 10.249 9.129 -5.505 1.00 53.12 C ATOM 1131 CZ PHE A 79 9.521 9.976 -6.313 1.00 23.30 C ATOM 0 H PHE A 79 6.950 3.922 -4.771 1.00 42.41 H new ATOM 0 HA PHE A 79 7.533 6.437 -3.417 1.00 50.14 H new ATOM 0 HB2 PHE A 79 8.921 5.396 -5.267 1.00 4.15 H new ATOM 0 HB3 PHE A 79 7.570 5.656 -6.352 1.00 4.15 H new ATOM 0 HD1 PHE A 79 6.903 7.977 -6.974 1.00 14.02 H new ATOM 0 HD2 PHE A 79 10.350 7.205 -4.598 1.00 64.42 H new ATOM 0 HE1 PHE A 79 7.747 10.221 -7.473 1.00 31.42 H new ATOM 0 HE2 PHE A 79 11.191 9.455 -5.089 1.00 53.12 H new ATOM 0 HZ PHE A 79 9.893 10.966 -6.533 1.00 23.30 H new ATOM 1141 N LEU A 80 5.328 7.421 -3.707 1.00 23.12 N ATOM 1142 CA LEU A 80 4.105 8.171 -3.856 1.00 12.44 C ATOM 1143 C LEU A 80 4.489 9.525 -4.404 1.00 24.32 C ATOM 1144 O LEU A 80 5.541 10.042 -4.055 1.00 73.53 O ATOM 1145 CB LEU A 80 3.436 8.324 -2.486 1.00 72.01 C ATOM 1146 CG LEU A 80 3.115 7.018 -1.737 1.00 51.44 C ATOM 1147 CD1 LEU A 80 2.527 7.321 -0.375 1.00 11.32 C ATOM 1148 CD2 LEU A 80 2.162 6.143 -2.544 1.00 71.30 C ATOM 0 H LEU A 80 5.816 7.605 -2.831 1.00 23.12 H new ATOM 0 HA LEU A 80 3.405 7.670 -4.524 1.00 12.44 H new ATOM 0 HB2 LEU A 80 4.084 8.931 -1.854 1.00 72.01 H new ATOM 0 HB3 LEU A 80 2.508 8.880 -2.618 1.00 72.01 H new ATOM 0 HG LEU A 80 4.047 6.468 -1.602 1.00 51.44 H new ATOM 0 HD11 LEU A 80 2.306 6.387 0.142 1.00 11.32 H new ATOM 0 HD12 LEU A 80 3.243 7.899 0.210 1.00 11.32 H new ATOM 0 HD13 LEU A 80 1.609 7.896 -0.495 1.00 11.32 H new ATOM 0 HD21 LEU A 80 1.953 5.227 -1.991 1.00 71.30 H new ATOM 0 HD22 LEU A 80 1.231 6.683 -2.718 1.00 71.30 H new ATOM 0 HD23 LEU A 80 2.620 5.892 -3.501 1.00 71.30 H new ATOM 1160 N ASP A 81 3.713 10.068 -5.299 1.00 20.21 N ATOM 1161 CA ASP A 81 4.056 11.362 -5.878 1.00 22.23 C ATOM 1162 C ASP A 81 3.186 12.462 -5.280 1.00 21.20 C ATOM 1163 O ASP A 81 1.966 12.456 -5.444 1.00 75.12 O ATOM 1164 CB ASP A 81 3.903 11.326 -7.394 1.00 10.34 C ATOM 1165 CG ASP A 81 4.389 12.592 -8.052 1.00 32.45 C ATOM 1166 OD1 ASP A 81 3.597 13.530 -8.227 1.00 22.41 O ATOM 1167 OD2 ASP A 81 5.580 12.660 -8.419 1.00 33.33 O ATOM 0 H ASP A 81 2.849 9.653 -5.648 1.00 20.21 H new ATOM 0 HA ASP A 81 5.098 11.580 -5.642 1.00 22.23 H new ATOM 0 HB2 ASP A 81 4.458 10.477 -7.792 1.00 10.34 H new ATOM 0 HB3 ASP A 81 2.855 11.168 -7.647 1.00 10.34 H new ATOM 1172 N ASP A 82 3.807 13.403 -4.606 1.00 63.21 N ATOM 1173 CA ASP A 82 3.091 14.490 -3.945 1.00 73.32 C ATOM 1174 C ASP A 82 4.015 15.695 -3.909 1.00 45.31 C ATOM 1175 O ASP A 82 5.158 15.590 -4.344 1.00 24.13 O ATOM 1176 CB ASP A 82 2.687 14.078 -2.509 1.00 73.41 C ATOM 1177 CG ASP A 82 1.682 15.029 -1.872 1.00 14.15 C ATOM 1178 OD1 ASP A 82 0.464 14.810 -2.039 1.00 60.31 O ATOM 1179 OD2 ASP A 82 2.095 16.008 -1.209 1.00 11.30 O ATOM 0 H ASP A 82 4.820 13.444 -4.496 1.00 63.21 H new ATOM 0 HA ASP A 82 2.177 14.727 -4.489 1.00 73.32 H new ATOM 0 HB2 ASP A 82 2.263 13.074 -2.532 1.00 73.41 H new ATOM 0 HB3 ASP A 82 3.580 14.033 -1.886 1.00 73.41 H new ATOM 1184 N VAL A 83 3.534 16.820 -3.445 1.00 70.04 N ATOM 1185 CA VAL A 83 4.347 18.012 -3.339 1.00 33.15 C ATOM 1186 C VAL A 83 5.135 17.948 -2.037 1.00 1.11 C ATOM 1187 O VAL A 83 6.303 18.367 -1.964 1.00 23.53 O ATOM 1188 CB VAL A 83 3.475 19.299 -3.355 1.00 13.13 C ATOM 1189 CG1 VAL A 83 4.339 20.558 -3.339 1.00 34.23 C ATOM 1190 CG2 VAL A 83 2.548 19.304 -4.558 1.00 64.04 C ATOM 0 H VAL A 83 2.571 16.939 -3.130 1.00 70.04 H new ATOM 0 HA VAL A 83 5.020 18.054 -4.196 1.00 33.15 H new ATOM 0 HB VAL A 83 2.869 19.299 -2.449 1.00 13.13 H new ATOM 0 HG11 VAL A 83 3.698 21.439 -3.351 1.00 34.23 H new ATOM 0 HG12 VAL A 83 4.952 20.567 -2.438 1.00 34.23 H new ATOM 0 HG13 VAL A 83 4.985 20.567 -4.217 1.00 34.23 H new ATOM 0 HG21 VAL A 83 1.947 20.213 -4.550 1.00 64.04 H new ATOM 0 HG22 VAL A 83 3.139 19.268 -5.473 1.00 64.04 H new ATOM 0 HG23 VAL A 83 1.892 18.435 -4.515 1.00 64.04 H new ATOM 1200 N THR A 84 4.510 17.368 -1.037 1.00 32.24 N ATOM 1201 CA THR A 84 5.063 17.269 0.288 1.00 14.25 C ATOM 1202 C THR A 84 6.159 16.209 0.310 1.00 2.12 C ATOM 1203 O THR A 84 5.924 15.065 -0.087 1.00 33.42 O ATOM 1204 CB THR A 84 3.953 16.840 1.260 1.00 4.33 C ATOM 1205 OG1 THR A 84 2.733 17.544 0.925 1.00 52.02 O ATOM 1206 CG2 THR A 84 4.351 17.162 2.699 1.00 52.31 C ATOM 0 H THR A 84 3.586 16.945 -1.127 1.00 32.24 H new ATOM 0 HA THR A 84 5.477 18.234 0.580 1.00 14.25 H new ATOM 0 HB THR A 84 3.798 15.764 1.174 1.00 4.33 H new ATOM 0 HG1 THR A 84 2.240 17.039 0.244 1.00 52.02 H new ATOM 0 HG21 THR A 84 3.554 16.852 3.375 1.00 52.31 H new ATOM 0 HG22 THR A 84 5.268 16.629 2.951 1.00 52.31 H new ATOM 0 HG23 THR A 84 4.515 18.235 2.800 1.00 52.31 H new ATOM 1214 N VAL A 85 7.348 16.565 0.753 1.00 43.52 N ATOM 1215 CA VAL A 85 8.402 15.592 0.817 1.00 3.31 C ATOM 1216 C VAL A 85 8.348 14.890 2.158 1.00 2.12 C ATOM 1217 O VAL A 85 8.820 15.403 3.184 1.00 13.12 O ATOM 1218 CB VAL A 85 9.823 16.188 0.643 1.00 22.25 C ATOM 1219 CG1 VAL A 85 10.844 15.065 0.478 1.00 3.11 C ATOM 1220 CG2 VAL A 85 9.896 17.154 -0.520 1.00 71.13 C ATOM 0 H VAL A 85 7.599 17.503 1.067 1.00 43.52 H new ATOM 0 HA VAL A 85 8.234 14.908 -0.015 1.00 3.31 H new ATOM 0 HB VAL A 85 10.058 16.756 1.543 1.00 22.25 H new ATOM 0 HG11 VAL A 85 11.839 15.493 0.356 1.00 3.11 H new ATOM 0 HG12 VAL A 85 10.829 14.427 1.362 1.00 3.11 H new ATOM 0 HG13 VAL A 85 10.594 14.472 -0.402 1.00 3.11 H new ATOM 0 HG21 VAL A 85 10.909 17.547 -0.604 1.00 71.13 H new ATOM 0 HG22 VAL A 85 9.630 16.635 -1.441 1.00 71.13 H new ATOM 0 HG23 VAL A 85 9.201 17.977 -0.354 1.00 71.13 H new ATOM 1230 N SER A 86 7.753 13.753 2.166 1.00 72.54 N ATOM 1231 CA SER A 86 7.730 12.957 3.322 1.00 41.33 C ATOM 1232 C SER A 86 8.667 11.793 3.090 1.00 21.33 C ATOM 1233 O SER A 86 8.292 10.780 2.505 1.00 64.15 O ATOM 1234 CB SER A 86 6.311 12.494 3.660 1.00 33.55 C ATOM 1235 OG SER A 86 6.269 11.896 4.947 1.00 32.04 O ATOM 0 H SER A 86 7.268 13.353 1.363 1.00 72.54 H new ATOM 0 HA SER A 86 8.062 13.534 4.185 1.00 41.33 H new ATOM 0 HB2 SER A 86 5.629 13.343 3.626 1.00 33.55 H new ATOM 0 HB3 SER A 86 5.968 11.780 2.911 1.00 33.55 H new ATOM 0 HG SER A 86 6.706 12.486 5.596 1.00 32.04 H new ATOM 1241 N ARG A 87 9.910 12.006 3.473 1.00 71.43 N ATOM 1242 CA ARG A 87 10.992 11.031 3.332 1.00 52.05 C ATOM 1243 C ARG A 87 10.663 9.727 4.052 1.00 21.44 C ATOM 1244 O ARG A 87 11.073 8.655 3.639 1.00 74.41 O ATOM 1245 CB ARG A 87 12.293 11.629 3.898 1.00 14.53 C ATOM 1246 CG ARG A 87 12.167 12.106 5.351 1.00 64.21 C ATOM 1247 CD ARG A 87 13.457 12.678 5.871 1.00 52.31 C ATOM 1248 NE ARG A 87 13.342 13.193 7.246 1.00 62.23 N ATOM 1249 CZ ARG A 87 14.320 13.154 8.176 1.00 61.03 C ATOM 1250 NH1 ARG A 87 15.476 12.548 7.921 1.00 3.53 N ATOM 1251 NH2 ARG A 87 14.130 13.725 9.340 1.00 32.41 N ATOM 0 H ARG A 87 10.211 12.881 3.902 1.00 71.43 H new ATOM 0 HA ARG A 87 11.117 10.805 2.273 1.00 52.05 H new ATOM 0 HB2 ARG A 87 13.084 10.881 3.837 1.00 14.53 H new ATOM 0 HB3 ARG A 87 12.599 12.468 3.274 1.00 14.53 H new ATOM 0 HG2 ARG A 87 11.383 12.860 5.418 1.00 64.21 H new ATOM 0 HG3 ARG A 87 11.861 11.271 5.981 1.00 64.21 H new ATOM 0 HD2 ARG A 87 14.229 11.909 5.840 1.00 52.31 H new ATOM 0 HD3 ARG A 87 13.783 13.483 5.213 1.00 52.31 H new ATOM 0 HE ARG A 87 12.453 13.613 7.517 1.00 62.23 H new ATOM 0 HH11 ARG A 87 15.631 12.106 7.015 1.00 3.53 H new ATOM 0 HH12 ARG A 87 16.207 12.525 8.632 1.00 3.53 H new ATOM 0 HH21 ARG A 87 13.247 14.195 9.539 1.00 32.41 H new ATOM 0 HH22 ARG A 87 14.865 13.699 10.047 1.00 32.41 H new ATOM 1265 N ARG A 88 9.926 9.841 5.129 1.00 61.22 N ATOM 1266 CA ARG A 88 9.551 8.721 5.939 1.00 44.21 C ATOM 1267 C ARG A 88 8.160 8.966 6.478 1.00 22.34 C ATOM 1268 O ARG A 88 7.992 9.684 7.463 1.00 24.04 O ATOM 1269 CB ARG A 88 10.559 8.538 7.106 1.00 2.55 C ATOM 1270 CG ARG A 88 11.973 8.112 6.683 1.00 51.12 C ATOM 1271 CD ARG A 88 12.046 6.622 6.351 1.00 22.42 C ATOM 1272 NE ARG A 88 11.910 5.826 7.575 1.00 71.44 N ATOM 1273 CZ ARG A 88 11.681 4.514 7.673 1.00 65.31 C ATOM 1274 NH1 ARG A 88 11.543 3.751 6.597 1.00 15.21 N ATOM 1275 NH2 ARG A 88 11.621 3.966 8.871 1.00 11.20 N ATOM 0 H ARG A 88 9.566 10.733 5.469 1.00 61.22 H new ATOM 0 HA ARG A 88 9.561 7.810 5.341 1.00 44.21 H new ATOM 0 HB2 ARG A 88 10.628 9.476 7.657 1.00 2.55 H new ATOM 0 HB3 ARG A 88 10.162 7.792 7.795 1.00 2.55 H new ATOM 0 HG2 ARG A 88 12.282 8.693 5.814 1.00 51.12 H new ATOM 0 HG3 ARG A 88 12.675 8.340 7.485 1.00 51.12 H new ATOM 0 HD2 ARG A 88 11.256 6.359 5.647 1.00 22.42 H new ATOM 0 HD3 ARG A 88 12.995 6.396 5.864 1.00 22.42 H new ATOM 0 HE ARG A 88 12.001 6.334 8.455 1.00 71.44 H new ATOM 0 HH11 ARG A 88 11.611 4.164 5.667 1.00 15.21 H new ATOM 0 HH12 ARG A 88 11.369 2.751 6.700 1.00 15.21 H new ATOM 0 HH21 ARG A 88 11.749 4.543 9.703 1.00 11.20 H new ATOM 0 HH22 ARG A 88 11.447 2.965 8.966 1.00 11.20 H new ATOM 1289 N HIS A 89 7.155 8.471 5.779 1.00 24.32 N ATOM 1290 CA HIS A 89 5.799 8.605 6.276 1.00 60.22 C ATOM 1291 C HIS A 89 5.397 7.345 7.003 1.00 1.11 C ATOM 1292 O HIS A 89 5.022 7.383 8.169 1.00 23.41 O ATOM 1293 CB HIS A 89 4.795 8.894 5.136 1.00 50.33 C ATOM 1294 CG HIS A 89 3.355 8.864 5.588 1.00 45.41 C ATOM 1295 ND1 HIS A 89 2.559 7.791 5.327 1.00 70.44 N ATOM 1296 CD2 HIS A 89 2.658 9.755 6.319 1.00 53.43 C ATOM 1297 CE1 HIS A 89 1.411 8.052 5.909 1.00 73.52 C ATOM 1298 NE2 HIS A 89 1.422 9.227 6.517 1.00 32.21 N ATOM 0 H HIS A 89 7.247 7.984 4.887 1.00 24.32 H new ATOM 0 HA HIS A 89 5.777 9.453 6.961 1.00 60.22 H new ATOM 0 HB2 HIS A 89 5.014 9.872 4.707 1.00 50.33 H new ATOM 0 HB3 HIS A 89 4.935 8.160 4.343 1.00 50.33 H new ATOM 0 HD1 HIS A 89 2.803 6.958 4.791 1.00 70.44 H new ATOM 0 HD2 HIS A 89 3.014 10.709 6.680 1.00 53.43 H new ATOM 0 HE1 HIS A 89 0.560 7.387 5.893 1.00 73.52 H new ATOM 1306 N ALA A 90 5.535 6.235 6.348 1.00 15.43 N ATOM 1307 CA ALA A 90 5.163 4.995 6.950 1.00 63.12 C ATOM 1308 C ALA A 90 5.889 3.893 6.282 1.00 22.32 C ATOM 1309 O ALA A 90 6.417 4.068 5.180 1.00 53.15 O ATOM 1310 CB ALA A 90 3.651 4.767 6.837 1.00 4.41 C ATOM 0 H ALA A 90 5.902 6.163 5.399 1.00 15.43 H new ATOM 0 HA ALA A 90 5.425 5.023 8.008 1.00 63.12 H new ATOM 0 HB1 ALA A 90 3.391 3.816 7.302 1.00 4.41 H new ATOM 0 HB2 ALA A 90 3.122 5.575 7.342 1.00 4.41 H new ATOM 0 HB3 ALA A 90 3.364 4.747 5.786 1.00 4.41 H new ATOM 1316 N GLU A 91 5.967 2.793 6.932 1.00 4.41 N ATOM 1317 CA GLU A 91 6.544 1.643 6.341 1.00 54.23 C ATOM 1318 C GLU A 91 5.756 0.418 6.715 1.00 73.45 C ATOM 1319 O GLU A 91 5.215 0.315 7.821 1.00 72.20 O ATOM 1320 CB GLU A 91 8.055 1.508 6.640 1.00 54.55 C ATOM 1321 CG GLU A 91 8.435 1.410 8.103 1.00 10.41 C ATOM 1322 CD GLU A 91 9.935 1.398 8.313 1.00 33.34 C ATOM 1323 OE1 GLU A 91 10.698 1.282 7.326 1.00 71.51 O ATOM 1324 OE2 GLU A 91 10.390 1.558 9.467 1.00 52.21 O ATOM 0 H GLU A 91 5.634 2.663 7.887 1.00 4.41 H new ATOM 0 HA GLU A 91 6.486 1.756 5.258 1.00 54.23 H new ATOM 0 HB2 GLU A 91 8.429 0.622 6.128 1.00 54.55 H new ATOM 0 HB3 GLU A 91 8.569 2.367 6.208 1.00 54.55 H new ATOM 0 HG2 GLU A 91 8.002 2.251 8.645 1.00 10.41 H new ATOM 0 HG3 GLU A 91 8.005 0.503 8.527 1.00 10.41 H new ATOM 1331 N PHE A 92 5.664 -0.474 5.793 1.00 51.21 N ATOM 1332 CA PHE A 92 4.960 -1.692 5.962 1.00 33.43 C ATOM 1333 C PHE A 92 6.013 -2.725 6.131 1.00 74.12 C ATOM 1334 O PHE A 92 6.909 -2.852 5.281 1.00 11.42 O ATOM 1335 CB PHE A 92 4.146 -2.033 4.702 1.00 12.24 C ATOM 1336 CG PHE A 92 3.358 -0.892 4.128 1.00 33.22 C ATOM 1337 CD1 PHE A 92 2.242 -0.400 4.776 1.00 34.54 C ATOM 1338 CD2 PHE A 92 3.737 -0.314 2.924 1.00 1.24 C ATOM 1339 CE1 PHE A 92 1.519 0.649 4.237 1.00 1.24 C ATOM 1340 CE2 PHE A 92 3.021 0.730 2.384 1.00 34.14 C ATOM 1341 CZ PHE A 92 1.909 1.214 3.041 1.00 65.44 C ATOM 0 H PHE A 92 6.091 -0.371 4.872 1.00 51.21 H new ATOM 0 HA PHE A 92 4.269 -1.633 6.803 1.00 33.43 H new ATOM 0 HB2 PHE A 92 4.828 -2.405 3.937 1.00 12.24 H new ATOM 0 HB3 PHE A 92 3.460 -2.846 4.940 1.00 12.24 H new ATOM 0 HD1 PHE A 92 1.931 -0.838 5.713 1.00 34.54 H new ATOM 0 HD2 PHE A 92 4.606 -0.689 2.404 1.00 1.24 H new ATOM 0 HE1 PHE A 92 0.648 1.026 4.753 1.00 1.24 H new ATOM 0 HE2 PHE A 92 3.329 1.170 1.447 1.00 34.14 H new ATOM 0 HZ PHE A 92 1.345 2.033 2.620 1.00 65.44 H new ATOM 1351 N ARG A 93 5.980 -3.410 7.204 1.00 53.31 N ATOM 1352 CA ARG A 93 6.967 -4.397 7.434 1.00 64.51 C ATOM 1353 C ARG A 93 6.317 -5.744 7.478 1.00 4.42 C ATOM 1354 O ARG A 93 5.181 -5.891 7.939 1.00 31.43 O ATOM 1355 CB ARG A 93 7.750 -4.158 8.729 1.00 13.12 C ATOM 1356 CG ARG A 93 8.381 -2.776 8.864 1.00 14.13 C ATOM 1357 CD ARG A 93 9.361 -2.740 10.028 1.00 55.54 C ATOM 1358 NE ARG A 93 8.776 -3.250 11.270 1.00 73.01 N ATOM 1359 CZ ARG A 93 9.453 -3.859 12.251 1.00 73.34 C ATOM 1360 NH1 ARG A 93 10.783 -3.994 12.178 1.00 20.24 N ATOM 1361 NH2 ARG A 93 8.788 -4.356 13.283 1.00 14.45 N ATOM 0 H ARG A 93 5.282 -3.310 7.941 1.00 53.31 H new ATOM 0 HA ARG A 93 7.683 -4.343 6.614 1.00 64.51 H new ATOM 0 HB2 ARG A 93 7.080 -4.317 9.574 1.00 13.12 H new ATOM 0 HB3 ARG A 93 8.538 -4.908 8.801 1.00 13.12 H new ATOM 0 HG2 ARG A 93 8.897 -2.515 7.940 1.00 14.13 H new ATOM 0 HG3 ARG A 93 7.602 -2.029 9.016 1.00 14.13 H new ATOM 0 HD2 ARG A 93 10.242 -3.331 9.776 1.00 55.54 H new ATOM 0 HD3 ARG A 93 9.698 -1.715 10.183 1.00 55.54 H new ATOM 0 HE ARG A 93 7.771 -3.131 11.398 1.00 73.01 H new ATOM 0 HH11 ARG A 93 11.289 -3.631 11.370 1.00 20.24 H new ATOM 0 HH12 ARG A 93 11.290 -4.460 12.930 1.00 20.24 H new ATOM 0 HH21 ARG A 93 7.772 -4.272 13.323 1.00 14.45 H new ATOM 0 HH22 ARG A 93 9.292 -4.823 14.037 1.00 14.45 H new ATOM 1375 N ILE A 94 6.995 -6.688 6.955 1.00 51.25 N ATOM 1376 CA ILE A 94 6.590 -8.040 7.006 1.00 53.13 C ATOM 1377 C ILE A 94 7.636 -8.708 7.863 1.00 42.43 C ATOM 1378 O ILE A 94 8.810 -8.756 7.489 1.00 14.43 O ATOM 1379 CB ILE A 94 6.523 -8.730 5.581 1.00 41.13 C ATOM 1380 CG1 ILE A 94 5.456 -8.085 4.650 1.00 13.33 C ATOM 1381 CG2 ILE A 94 6.235 -10.221 5.712 1.00 35.04 C ATOM 1382 CD1 ILE A 94 5.765 -6.687 4.132 1.00 15.35 C ATOM 0 H ILE A 94 7.876 -6.540 6.463 1.00 51.25 H new ATOM 0 HA ILE A 94 5.578 -8.125 7.402 1.00 53.13 H new ATOM 0 HB ILE A 94 7.502 -8.579 5.126 1.00 41.13 H new ATOM 0 HG12 ILE A 94 5.309 -8.742 3.793 1.00 13.33 H new ATOM 0 HG13 ILE A 94 4.510 -8.048 5.190 1.00 13.33 H new ATOM 0 HG21 ILE A 94 6.194 -10.672 4.721 1.00 35.04 H new ATOM 0 HG22 ILE A 94 7.026 -10.695 6.294 1.00 35.04 H new ATOM 0 HG23 ILE A 94 5.279 -10.364 6.216 1.00 35.04 H new ATOM 0 HD11 ILE A 94 4.948 -6.346 3.495 1.00 15.35 H new ATOM 0 HD12 ILE A 94 5.878 -6.004 4.974 1.00 15.35 H new ATOM 0 HD13 ILE A 94 6.690 -6.709 3.555 1.00 15.35 H new ATOM 1394 N ASN A 95 7.242 -9.151 9.010 1.00 55.40 N ATOM 1395 CA ASN A 95 8.163 -9.724 9.957 1.00 1.35 C ATOM 1396 C ASN A 95 7.612 -11.012 10.483 1.00 61.20 C ATOM 1397 O ASN A 95 6.488 -11.045 10.996 1.00 63.32 O ATOM 1398 CB ASN A 95 8.442 -8.742 11.121 1.00 22.33 C ATOM 1399 CG ASN A 95 9.330 -9.342 12.215 1.00 51.23 C ATOM 1400 OD1 ASN A 95 10.561 -9.278 12.149 1.00 4.31 O ATOM 1401 ND2 ASN A 95 8.724 -9.888 13.238 1.00 3.54 N ATOM 0 H ASN A 95 6.272 -9.130 9.326 1.00 55.40 H new ATOM 0 HA ASN A 95 9.107 -9.920 9.449 1.00 1.35 H new ATOM 0 HB2 ASN A 95 8.919 -7.846 10.725 1.00 22.33 H new ATOM 0 HB3 ASN A 95 7.494 -8.431 11.561 1.00 22.33 H new ATOM 0 HD21 ASN A 95 9.270 -10.275 14.008 1.00 3.54 H new ATOM 0 HD22 ASN A 95 7.705 -9.927 13.266 1.00 3.54 H new ATOM 1408 N GLU A 96 8.384 -12.080 10.308 1.00 30.51 N ATOM 1409 CA GLU A 96 8.045 -13.412 10.805 1.00 62.43 C ATOM 1410 C GLU A 96 6.679 -13.876 10.287 1.00 62.12 C ATOM 1411 O GLU A 96 5.915 -14.548 10.989 1.00 53.41 O ATOM 1412 CB GLU A 96 8.125 -13.416 12.339 1.00 72.54 C ATOM 1413 CG GLU A 96 9.544 -13.190 12.840 1.00 4.43 C ATOM 1414 CD GLU A 96 9.634 -12.973 14.323 1.00 35.41 C ATOM 1415 OE1 GLU A 96 9.367 -13.911 15.096 1.00 5.03 O ATOM 1416 OE2 GLU A 96 9.973 -11.843 14.744 1.00 25.42 O ATOM 0 H GLU A 96 9.274 -12.046 9.811 1.00 30.51 H new ATOM 0 HA GLU A 96 8.768 -14.133 10.423 1.00 62.43 H new ATOM 0 HB2 GLU A 96 7.473 -12.639 12.737 1.00 72.54 H new ATOM 0 HB3 GLU A 96 7.755 -14.368 12.718 1.00 72.54 H new ATOM 0 HG2 GLU A 96 10.156 -14.050 12.570 1.00 4.43 H new ATOM 0 HG3 GLU A 96 9.967 -12.325 12.329 1.00 4.43 H new ATOM 1423 N GLY A 97 6.404 -13.537 9.035 1.00 52.20 N ATOM 1424 CA GLY A 97 5.174 -13.935 8.387 1.00 30.41 C ATOM 1425 C GLY A 97 4.009 -12.991 8.642 1.00 21.43 C ATOM 1426 O GLY A 97 2.968 -13.103 7.990 1.00 0.24 O ATOM 0 H GLY A 97 7.026 -12.982 8.448 1.00 52.20 H new ATOM 0 HA2 GLY A 97 5.346 -14.002 7.313 1.00 30.41 H new ATOM 0 HA3 GLY A 97 4.901 -14.933 8.729 1.00 30.41 H new ATOM 1430 N GLU A 98 4.194 -12.033 9.528 1.00 44.44 N ATOM 1431 CA GLU A 98 3.133 -11.120 9.889 1.00 0.01 C ATOM 1432 C GLU A 98 3.333 -9.795 9.184 1.00 0.12 C ATOM 1433 O GLU A 98 4.460 -9.404 8.886 1.00 65.25 O ATOM 1434 CB GLU A 98 3.120 -10.888 11.395 1.00 41.33 C ATOM 1435 CG GLU A 98 3.044 -12.154 12.224 1.00 60.51 C ATOM 1436 CD GLU A 98 2.966 -11.857 13.695 1.00 33.41 C ATOM 1437 OE1 GLU A 98 3.992 -11.481 14.292 1.00 2.54 O ATOM 1438 OE2 GLU A 98 1.879 -11.980 14.287 1.00 42.11 O ATOM 0 H GLU A 98 5.076 -11.868 10.013 1.00 44.44 H new ATOM 0 HA GLU A 98 2.182 -11.559 9.586 1.00 0.01 H new ATOM 0 HB2 GLU A 98 4.020 -10.340 11.673 1.00 41.33 H new ATOM 0 HB3 GLU A 98 2.270 -10.253 11.645 1.00 41.33 H new ATOM 0 HG2 GLU A 98 2.170 -12.733 11.924 1.00 60.51 H new ATOM 0 HG3 GLU A 98 3.920 -12.772 12.024 1.00 60.51 H new ATOM 1445 N PHE A 99 2.245 -9.125 8.912 1.00 14.22 N ATOM 1446 CA PHE A 99 2.257 -7.866 8.197 1.00 45.41 C ATOM 1447 C PHE A 99 1.902 -6.743 9.172 1.00 73.14 C ATOM 1448 O PHE A 99 0.893 -6.828 9.863 1.00 41.45 O ATOM 1449 CB PHE A 99 1.199 -7.901 7.072 1.00 63.03 C ATOM 1450 CG PHE A 99 1.330 -9.051 6.099 1.00 2.24 C ATOM 1451 CD1 PHE A 99 0.704 -10.265 6.347 1.00 51.51 C ATOM 1452 CD2 PHE A 99 2.070 -8.916 4.942 1.00 63.14 C ATOM 1453 CE1 PHE A 99 0.818 -11.317 5.461 1.00 1.33 C ATOM 1454 CE2 PHE A 99 2.189 -9.964 4.050 1.00 35.30 C ATOM 1455 CZ PHE A 99 1.563 -11.166 4.310 1.00 62.05 C ATOM 0 H PHE A 99 1.312 -9.437 9.182 1.00 14.22 H new ATOM 0 HA PHE A 99 3.244 -7.698 7.767 1.00 45.41 H new ATOM 0 HB2 PHE A 99 0.209 -7.942 7.527 1.00 63.03 H new ATOM 0 HB3 PHE A 99 1.254 -6.966 6.514 1.00 63.03 H new ATOM 0 HD1 PHE A 99 0.119 -10.388 7.247 1.00 51.51 H new ATOM 0 HD2 PHE A 99 2.563 -7.978 4.731 1.00 63.14 H new ATOM 0 HE1 PHE A 99 0.325 -12.256 5.668 1.00 1.33 H new ATOM 0 HE2 PHE A 99 2.772 -9.843 3.149 1.00 35.30 H new ATOM 0 HZ PHE A 99 1.656 -11.987 3.614 1.00 62.05 H new ATOM 1465 N GLU A 100 2.725 -5.733 9.254 1.00 34.53 N ATOM 1466 CA GLU A 100 2.470 -4.597 10.131 1.00 41.21 C ATOM 1467 C GLU A 100 2.640 -3.275 9.385 1.00 34.52 C ATOM 1468 O GLU A 100 3.441 -3.179 8.444 1.00 20.01 O ATOM 1469 CB GLU A 100 3.403 -4.621 11.340 1.00 13.34 C ATOM 1470 CG GLU A 100 4.870 -4.660 10.967 1.00 32.23 C ATOM 1471 CD GLU A 100 5.769 -4.402 12.123 1.00 22.52 C ATOM 1472 OE1 GLU A 100 5.997 -5.300 12.942 1.00 14.02 O ATOM 1473 OE2 GLU A 100 6.276 -3.272 12.250 1.00 65.34 O ATOM 0 H GLU A 100 3.592 -5.664 8.721 1.00 34.53 H new ATOM 0 HA GLU A 100 1.439 -4.678 10.474 1.00 41.21 H new ATOM 0 HB2 GLU A 100 3.215 -3.739 11.952 1.00 13.34 H new ATOM 0 HB3 GLU A 100 3.168 -5.491 11.953 1.00 13.34 H new ATOM 0 HG2 GLU A 100 5.105 -5.635 10.541 1.00 32.23 H new ATOM 0 HG3 GLU A 100 5.062 -3.919 10.191 1.00 32.23 H new ATOM 1480 N VAL A 101 1.870 -2.284 9.771 1.00 62.12 N ATOM 1481 CA VAL A 101 2.028 -0.947 9.239 1.00 44.13 C ATOM 1482 C VAL A 101 2.515 -0.080 10.369 1.00 73.12 C ATOM 1483 O VAL A 101 1.855 -0.010 11.418 1.00 63.32 O ATOM 1484 CB VAL A 101 0.677 -0.330 8.780 1.00 4.13 C ATOM 1485 CG1 VAL A 101 0.880 1.008 8.074 1.00 51.45 C ATOM 1486 CG2 VAL A 101 -0.115 -1.281 7.927 1.00 22.23 C ATOM 0 H VAL A 101 1.121 -2.379 10.457 1.00 62.12 H new ATOM 0 HA VAL A 101 2.706 -0.998 8.387 1.00 44.13 H new ATOM 0 HB VAL A 101 0.094 -0.142 9.682 1.00 4.13 H new ATOM 0 HG11 VAL A 101 -0.087 1.408 7.768 1.00 51.45 H new ATOM 0 HG12 VAL A 101 1.364 1.709 8.754 1.00 51.45 H new ATOM 0 HG13 VAL A 101 1.508 0.864 7.195 1.00 51.45 H new ATOM 0 HG21 VAL A 101 -1.051 -0.809 7.629 1.00 22.23 H new ATOM 0 HG22 VAL A 101 0.461 -1.538 7.038 1.00 22.23 H new ATOM 0 HG23 VAL A 101 -0.330 -2.186 8.495 1.00 22.23 H new ATOM 1496 N VAL A 102 3.639 0.554 10.196 1.00 2.12 N ATOM 1497 CA VAL A 102 4.105 1.487 11.176 1.00 11.40 C ATOM 1498 C VAL A 102 4.257 2.882 10.579 1.00 41.23 C ATOM 1499 O VAL A 102 4.967 3.080 9.584 1.00 60.20 O ATOM 1500 CB VAL A 102 5.407 1.032 11.917 1.00 61.22 C ATOM 1501 CG1 VAL A 102 5.124 -0.148 12.833 1.00 2.14 C ATOM 1502 CG2 VAL A 102 6.513 0.666 10.941 1.00 53.42 C ATOM 0 H VAL A 102 4.248 0.441 9.386 1.00 2.12 H new ATOM 0 HA VAL A 102 3.333 1.522 11.945 1.00 11.40 H new ATOM 0 HB VAL A 102 5.745 1.878 12.515 1.00 61.22 H new ATOM 0 HG11 VAL A 102 6.043 -0.446 13.337 1.00 2.14 H new ATOM 0 HG12 VAL A 102 4.380 0.138 13.576 1.00 2.14 H new ATOM 0 HG13 VAL A 102 4.746 -0.983 12.244 1.00 2.14 H new ATOM 0 HG21 VAL A 102 7.399 0.356 11.495 1.00 53.42 H new ATOM 0 HG22 VAL A 102 6.179 -0.152 10.303 1.00 53.42 H new ATOM 0 HG23 VAL A 102 6.755 1.532 10.324 1.00 53.42 H new ATOM 1512 N ASP A 103 3.572 3.813 11.163 1.00 12.32 N ATOM 1513 CA ASP A 103 3.630 5.216 10.787 1.00 13.41 C ATOM 1514 C ASP A 103 4.738 5.916 11.527 1.00 3.25 C ATOM 1515 O ASP A 103 4.941 5.680 12.734 1.00 53.31 O ATOM 1516 CB ASP A 103 2.284 5.896 11.087 1.00 43.04 C ATOM 1517 CG ASP A 103 2.367 7.406 11.235 1.00 32.41 C ATOM 1518 OD1 ASP A 103 2.519 8.117 10.236 1.00 63.33 O ATOM 1519 OD2 ASP A 103 2.265 7.895 12.384 1.00 51.43 O ATOM 0 H ASP A 103 2.935 3.628 11.938 1.00 12.32 H new ATOM 0 HA ASP A 103 3.833 5.281 9.718 1.00 13.41 H new ATOM 0 HB2 ASP A 103 1.584 5.659 10.286 1.00 43.04 H new ATOM 0 HB3 ASP A 103 1.874 5.474 12.005 1.00 43.04 H new ATOM 1524 N VAL A 104 5.469 6.739 10.815 1.00 31.14 N ATOM 1525 CA VAL A 104 6.548 7.524 11.385 1.00 34.11 C ATOM 1526 C VAL A 104 6.446 8.989 10.929 1.00 31.43 C ATOM 1527 O VAL A 104 7.303 9.820 11.262 1.00 21.45 O ATOM 1528 CB VAL A 104 7.963 6.951 11.023 1.00 64.32 C ATOM 1529 CG1 VAL A 104 8.182 5.583 11.654 1.00 52.43 C ATOM 1530 CG2 VAL A 104 8.154 6.858 9.515 1.00 13.31 C ATOM 0 H VAL A 104 5.334 6.887 9.815 1.00 31.14 H new ATOM 0 HA VAL A 104 6.440 7.469 12.468 1.00 34.11 H new ATOM 0 HB VAL A 104 8.701 7.645 11.426 1.00 64.32 H new ATOM 0 HG11 VAL A 104 9.171 5.212 11.385 1.00 52.43 H new ATOM 0 HG12 VAL A 104 8.108 5.666 12.738 1.00 52.43 H new ATOM 0 HG13 VAL A 104 7.424 4.889 11.291 1.00 52.43 H new ATOM 0 HG21 VAL A 104 9.144 6.457 9.298 1.00 13.31 H new ATOM 0 HG22 VAL A 104 7.395 6.199 9.092 1.00 13.31 H new ATOM 0 HG23 VAL A 104 8.059 7.850 9.074 1.00 13.31 H new ATOM 1540 N GLY A 105 5.379 9.317 10.221 1.00 53.13 N ATOM 1541 CA GLY A 105 5.219 10.648 9.694 1.00 13.42 C ATOM 1542 C GLY A 105 3.793 11.121 9.791 1.00 60.23 C ATOM 1543 O GLY A 105 3.195 11.532 8.785 1.00 22.30 O ATOM 0 H GLY A 105 4.616 8.677 10.002 1.00 53.13 H new ATOM 0 HA2 GLY A 105 5.867 11.335 10.238 1.00 13.42 H new ATOM 0 HA3 GLY A 105 5.538 10.667 8.652 1.00 13.42 H new ATOM 1547 N SER A 106 3.283 11.152 11.017 1.00 32.31 N ATOM 1548 CA SER A 106 1.893 11.497 11.337 1.00 51.41 C ATOM 1549 C SER A 106 1.514 12.925 10.875 1.00 14.32 C ATOM 1550 O SER A 106 0.339 13.281 10.824 1.00 21.04 O ATOM 1551 CB SER A 106 1.726 11.408 12.844 1.00 70.00 C ATOM 1552 OG SER A 106 2.382 10.252 13.351 1.00 21.21 O ATOM 0 H SER A 106 3.838 10.932 11.844 1.00 32.31 H new ATOM 0 HA SER A 106 1.238 10.802 10.811 1.00 51.41 H new ATOM 0 HB2 SER A 106 2.136 12.302 13.315 1.00 70.00 H new ATOM 0 HB3 SER A 106 0.666 11.372 13.097 1.00 70.00 H new ATOM 0 HG SER A 106 2.366 9.544 12.674 1.00 21.21 H new ATOM 1558 N LEU A 107 2.516 13.697 10.495 1.00 31.25 N ATOM 1559 CA LEU A 107 2.364 15.091 10.090 1.00 30.31 C ATOM 1560 C LEU A 107 1.584 15.195 8.772 1.00 14.14 C ATOM 1561 O LEU A 107 1.034 16.244 8.441 1.00 4.23 O ATOM 1562 CB LEU A 107 3.743 15.783 9.927 1.00 34.50 C ATOM 1563 CG LEU A 107 4.747 15.725 11.116 1.00 74.42 C ATOM 1564 CD1 LEU A 107 4.083 15.954 12.470 1.00 54.15 C ATOM 1565 CD2 LEU A 107 5.598 14.458 11.109 1.00 4.35 C ATOM 0 H LEU A 107 3.481 13.369 10.457 1.00 31.25 H new ATOM 0 HA LEU A 107 1.807 15.598 10.878 1.00 30.31 H new ATOM 0 HB2 LEU A 107 4.233 15.345 9.057 1.00 34.50 H new ATOM 0 HB3 LEU A 107 3.562 16.833 9.696 1.00 34.50 H new ATOM 0 HG LEU A 107 5.427 16.562 10.960 1.00 74.42 H new ATOM 0 HD11 LEU A 107 4.835 15.901 13.257 1.00 54.15 H new ATOM 0 HD12 LEU A 107 3.612 16.937 12.483 1.00 54.15 H new ATOM 0 HD13 LEU A 107 3.327 15.187 12.639 1.00 54.15 H new ATOM 0 HD21 LEU A 107 6.279 14.472 11.960 1.00 4.35 H new ATOM 0 HD22 LEU A 107 4.950 13.584 11.177 1.00 4.35 H new ATOM 0 HD23 LEU A 107 6.174 14.411 10.185 1.00 4.35 H new ATOM 1577 N ASN A 108 1.559 14.096 8.032 1.00 31.30 N ATOM 1578 CA ASN A 108 0.857 14.035 6.750 1.00 2.42 C ATOM 1579 C ASN A 108 -0.597 13.619 6.965 1.00 30.40 C ATOM 1580 O ASN A 108 -1.392 13.593 6.027 1.00 23.11 O ATOM 1581 CB ASN A 108 1.525 13.028 5.801 1.00 45.11 C ATOM 1582 CG ASN A 108 2.982 13.333 5.470 1.00 44.31 C ATOM 1583 OD1 ASN A 108 3.288 14.029 4.511 1.00 41.33 O ATOM 1584 ND2 ASN A 108 3.893 12.808 6.260 1.00 53.02 N ATOM 0 H ASN A 108 2.020 13.225 8.297 1.00 31.30 H new ATOM 0 HA ASN A 108 0.899 15.028 6.302 1.00 2.42 H new ATOM 0 HB2 ASN A 108 1.468 12.036 6.248 1.00 45.11 H new ATOM 0 HB3 ASN A 108 0.956 12.992 4.872 1.00 45.11 H new ATOM 0 HD21 ASN A 108 4.883 12.977 6.080 1.00 53.02 H new ATOM 0 HD22 ASN A 108 3.610 12.232 7.052 1.00 53.02 H new ATOM 1591 N GLY A 109 -0.925 13.285 8.209 1.00 25.13 N ATOM 1592 CA GLY A 109 -2.265 12.855 8.548 1.00 11.12 C ATOM 1593 C GLY A 109 -2.512 11.407 8.177 1.00 31.00 C ATOM 1594 O GLY A 109 -3.295 11.121 7.276 1.00 20.31 O ATOM 0 H GLY A 109 -0.276 13.306 8.996 1.00 25.13 H new ATOM 0 HA2 GLY A 109 -2.427 12.987 9.618 1.00 11.12 H new ATOM 0 HA3 GLY A 109 -2.989 13.488 8.035 1.00 11.12 H new ATOM 1598 N THR A 110 -1.822 10.501 8.834 1.00 43.12 N ATOM 1599 CA THR A 110 -1.987 9.095 8.563 1.00 43.02 C ATOM 1600 C THR A 110 -3.328 8.576 9.140 1.00 22.22 C ATOM 1601 O THR A 110 -3.626 8.756 10.336 1.00 53.32 O ATOM 1602 CB THR A 110 -0.840 8.353 9.258 1.00 22.03 C ATOM 1603 OG1 THR A 110 0.388 9.088 9.029 1.00 3.42 O ATOM 1604 CG2 THR A 110 -0.708 6.937 8.708 1.00 43.44 C ATOM 0 H THR A 110 -1.140 10.716 9.561 1.00 43.12 H new ATOM 0 HA THR A 110 -1.984 8.929 7.486 1.00 43.02 H new ATOM 0 HB THR A 110 -1.044 8.284 10.327 1.00 22.03 H new ATOM 0 HG1 THR A 110 0.625 9.041 8.079 1.00 3.42 H new ATOM 0 HG21 THR A 110 0.111 6.425 9.213 1.00 43.44 H new ATOM 0 HG22 THR A 110 -1.636 6.392 8.879 1.00 43.44 H new ATOM 0 HG23 THR A 110 -0.504 6.980 7.638 1.00 43.44 H new ATOM 1612 N TYR A 111 -4.113 7.927 8.298 1.00 12.22 N ATOM 1613 CA TYR A 111 -5.363 7.312 8.710 1.00 72.33 C ATOM 1614 C TYR A 111 -5.491 5.937 8.083 1.00 74.11 C ATOM 1615 O TYR A 111 -5.099 5.734 6.931 1.00 75.30 O ATOM 1616 CB TYR A 111 -6.599 8.177 8.349 1.00 53.53 C ATOM 1617 CG TYR A 111 -6.840 9.404 9.218 1.00 25.12 C ATOM 1618 CD1 TYR A 111 -6.055 10.542 9.105 1.00 21.42 C ATOM 1619 CD2 TYR A 111 -7.869 9.417 10.148 1.00 24.14 C ATOM 1620 CE1 TYR A 111 -6.285 11.652 9.893 1.00 11.00 C ATOM 1621 CE2 TYR A 111 -8.108 10.523 10.938 1.00 1.33 C ATOM 1622 CZ TYR A 111 -7.313 11.638 10.806 1.00 35.41 C ATOM 1623 OH TYR A 111 -7.547 12.750 11.598 1.00 61.25 O ATOM 0 H TYR A 111 -3.901 7.811 7.307 1.00 12.22 H new ATOM 0 HA TYR A 111 -5.339 7.225 9.796 1.00 72.33 H new ATOM 0 HB2 TYR A 111 -6.497 8.505 7.315 1.00 53.53 H new ATOM 0 HB3 TYR A 111 -7.485 7.544 8.397 1.00 53.53 H new ATOM 0 HD1 TYR A 111 -5.249 10.560 8.387 1.00 21.42 H new ATOM 0 HD2 TYR A 111 -8.496 8.544 10.256 1.00 24.14 H new ATOM 0 HE1 TYR A 111 -5.660 12.527 9.793 1.00 11.00 H new ATOM 0 HE2 TYR A 111 -8.915 10.513 11.656 1.00 1.33 H new ATOM 0 HH TYR A 111 -8.310 12.576 12.188 1.00 61.25 H new ATOM 1633 N VAL A 112 -6.010 5.008 8.826 1.00 55.43 N ATOM 1634 CA VAL A 112 -6.265 3.677 8.333 1.00 23.21 C ATOM 1635 C VAL A 112 -7.737 3.405 8.543 1.00 71.14 C ATOM 1636 O VAL A 112 -8.209 3.473 9.665 1.00 22.13 O ATOM 1637 CB VAL A 112 -5.425 2.594 9.076 1.00 11.04 C ATOM 1638 CG1 VAL A 112 -5.696 1.210 8.494 1.00 70.31 C ATOM 1639 CG2 VAL A 112 -3.934 2.910 9.006 1.00 21.34 C ATOM 0 H VAL A 112 -6.273 5.147 9.802 1.00 55.43 H new ATOM 0 HA VAL A 112 -5.982 3.624 7.282 1.00 23.21 H new ATOM 0 HB VAL A 112 -5.727 2.600 10.123 1.00 11.04 H new ATOM 0 HG11 VAL A 112 -5.100 0.468 9.026 1.00 70.31 H new ATOM 0 HG12 VAL A 112 -6.754 0.971 8.602 1.00 70.31 H new ATOM 0 HG13 VAL A 112 -5.428 1.201 7.438 1.00 70.31 H new ATOM 0 HG21 VAL A 112 -3.373 2.138 9.533 1.00 21.34 H new ATOM 0 HG22 VAL A 112 -3.617 2.941 7.964 1.00 21.34 H new ATOM 0 HG23 VAL A 112 -3.745 3.877 9.472 1.00 21.34 H new ATOM 1649 N ASN A 113 -8.454 3.151 7.456 1.00 60.32 N ATOM 1650 CA ASN A 113 -9.912 2.900 7.472 1.00 21.33 C ATOM 1651 C ASN A 113 -10.649 4.060 8.116 1.00 51.42 C ATOM 1652 O ASN A 113 -11.645 3.854 8.806 1.00 22.01 O ATOM 1653 CB ASN A 113 -10.232 1.595 8.234 1.00 63.23 C ATOM 1654 CG ASN A 113 -9.647 0.361 7.583 1.00 35.14 C ATOM 1655 OD1 ASN A 113 -9.550 0.265 6.357 1.00 24.03 O ATOM 1656 ND2 ASN A 113 -9.242 -0.567 8.388 1.00 51.24 N ATOM 0 H ASN A 113 -8.047 3.110 6.522 1.00 60.32 H new ATOM 0 HA ASN A 113 -10.245 2.799 6.439 1.00 21.33 H new ATOM 0 HB2 ASN A 113 -9.851 1.675 9.252 1.00 63.23 H new ATOM 0 HB3 ASN A 113 -11.314 1.481 8.306 1.00 63.23 H new ATOM 0 HD21 ASN A 113 -8.823 -1.419 8.015 1.00 51.24 H new ATOM 0 HD22 ASN A 113 -9.341 -0.447 9.396 1.00 51.24 H new ATOM 1663 N ARG A 114 -10.190 5.298 7.822 1.00 72.51 N ATOM 1664 CA ARG A 114 -10.745 6.525 8.397 1.00 61.44 C ATOM 1665 C ARG A 114 -10.527 6.631 9.915 1.00 54.22 C ATOM 1666 O ARG A 114 -11.149 7.460 10.587 1.00 32.52 O ATOM 1667 CB ARG A 114 -12.216 6.677 8.044 1.00 2.41 C ATOM 1668 CG ARG A 114 -12.518 7.272 6.672 1.00 45.43 C ATOM 1669 CD ARG A 114 -11.904 6.554 5.469 1.00 5.01 C ATOM 1670 NE ARG A 114 -12.353 5.140 5.172 1.00 15.22 N ATOM 1671 CZ ARG A 114 -13.619 4.603 5.158 1.00 72.53 C ATOM 1672 NH1 ARG A 114 -14.616 5.074 5.916 1.00 64.21 N ATOM 1673 NH2 ARG A 114 -13.831 3.503 4.439 1.00 34.51 N ATOM 0 H ARG A 114 -9.420 5.465 7.175 1.00 72.51 H new ATOM 0 HA ARG A 114 -10.193 7.351 7.949 1.00 61.44 H new ATOM 0 HB2 ARG A 114 -12.687 5.696 8.104 1.00 2.41 H new ATOM 0 HB3 ARG A 114 -12.688 7.303 8.801 1.00 2.41 H new ATOM 0 HG2 ARG A 114 -13.600 7.295 6.540 1.00 45.43 H new ATOM 0 HG3 ARG A 114 -12.174 8.306 6.665 1.00 45.43 H new ATOM 0 HD2 ARG A 114 -12.102 7.159 4.584 1.00 5.01 H new ATOM 0 HD3 ARG A 114 -10.823 6.537 5.608 1.00 5.01 H new ATOM 0 HE ARG A 114 -11.603 4.486 4.948 1.00 15.22 H new ATOM 0 HH11 ARG A 114 -14.453 5.865 6.539 1.00 64.21 H new ATOM 0 HH12 ARG A 114 -15.539 4.642 5.871 1.00 64.21 H new ATOM 0 HH21 ARG A 114 -13.064 3.080 3.916 1.00 34.51 H new ATOM 0 HH22 ARG A 114 -14.760 3.083 4.411 1.00 34.51 H new ATOM 1687 N GLU A 115 -9.645 5.820 10.433 1.00 24.52 N ATOM 1688 CA GLU A 115 -9.290 5.832 11.833 1.00 32.50 C ATOM 1689 C GLU A 115 -7.868 6.304 11.994 1.00 13.42 C ATOM 1690 O GLU A 115 -6.992 5.878 11.240 1.00 35.23 O ATOM 1691 CB GLU A 115 -9.406 4.428 12.411 1.00 60.01 C ATOM 1692 CG GLU A 115 -10.814 3.960 12.621 1.00 3.45 C ATOM 1693 CD GLU A 115 -11.456 4.645 13.790 1.00 33.30 C ATOM 1694 OE1 GLU A 115 -11.284 4.159 14.926 1.00 53.24 O ATOM 1695 OE2 GLU A 115 -12.132 5.661 13.617 1.00 20.11 O ATOM 0 H GLU A 115 -9.142 5.119 9.888 1.00 24.52 H new ATOM 0 HA GLU A 115 -9.967 6.504 12.359 1.00 32.50 H new ATOM 0 HB2 GLU A 115 -8.900 3.730 11.744 1.00 60.01 H new ATOM 0 HB3 GLU A 115 -8.879 4.396 13.365 1.00 60.01 H new ATOM 0 HG2 GLU A 115 -11.399 4.150 11.721 1.00 3.45 H new ATOM 0 HG3 GLU A 115 -10.819 2.882 12.783 1.00 3.45 H new ATOM 1702 N PRO A 116 -7.605 7.215 12.932 1.00 64.32 N ATOM 1703 CA PRO A 116 -6.242 7.624 13.225 1.00 0.21 C ATOM 1704 C PRO A 116 -5.506 6.430 13.827 1.00 23.13 C ATOM 1705 O PRO A 116 -5.954 5.852 14.834 1.00 72.24 O ATOM 1706 CB PRO A 116 -6.406 8.751 14.258 1.00 32.51 C ATOM 1707 CG PRO A 116 -7.764 8.544 14.846 1.00 14.10 C ATOM 1708 CD PRO A 116 -8.599 7.910 13.771 1.00 63.11 C ATOM 0 HA PRO A 116 -5.676 7.957 12.355 1.00 0.21 H new ATOM 0 HB2 PRO A 116 -5.632 8.699 15.024 1.00 32.51 H new ATOM 0 HB3 PRO A 116 -6.325 9.731 13.788 1.00 32.51 H new ATOM 0 HG2 PRO A 116 -7.713 7.903 15.726 1.00 14.10 H new ATOM 0 HG3 PRO A 116 -8.197 9.492 15.166 1.00 14.10 H new ATOM 0 HD2 PRO A 116 -9.330 7.216 14.186 1.00 63.11 H new ATOM 0 HD3 PRO A 116 -9.155 8.655 13.202 1.00 63.11 H new ATOM 1716 N ARG A 117 -4.425 6.044 13.228 1.00 13.13 N ATOM 1717 CA ARG A 117 -3.730 4.856 13.634 1.00 13.43 C ATOM 1718 C ARG A 117 -2.278 5.026 13.267 1.00 72.45 C ATOM 1719 O ARG A 117 -1.980 5.541 12.194 1.00 0.14 O ATOM 1720 CB ARG A 117 -4.349 3.667 12.879 1.00 14.14 C ATOM 1721 CG ARG A 117 -3.841 2.287 13.261 1.00 64.33 C ATOM 1722 CD ARG A 117 -4.176 1.907 14.704 1.00 42.34 C ATOM 1723 NE ARG A 117 -5.620 2.014 15.035 1.00 34.43 N ATOM 1724 CZ ARG A 117 -6.593 1.118 14.731 1.00 64.24 C ATOM 1725 NH1 ARG A 117 -6.386 0.148 13.837 1.00 34.02 N ATOM 1726 NH2 ARG A 117 -7.797 1.245 15.286 1.00 20.44 N ATOM 0 H ARG A 117 -3.997 6.539 12.446 1.00 13.13 H new ATOM 0 HA ARG A 117 -3.811 4.679 14.706 1.00 13.43 H new ATOM 0 HB2 ARG A 117 -5.428 3.689 13.033 1.00 14.14 H new ATOM 0 HB3 ARG A 117 -4.176 3.812 11.813 1.00 14.14 H new ATOM 0 HG2 ARG A 117 -4.272 1.547 12.587 1.00 64.33 H new ATOM 0 HG3 ARG A 117 -2.760 2.252 13.123 1.00 64.33 H new ATOM 0 HD2 ARG A 117 -3.847 0.884 14.886 1.00 42.34 H new ATOM 0 HD3 ARG A 117 -3.610 2.549 15.379 1.00 42.34 H new ATOM 0 HE ARG A 117 -5.911 2.849 15.544 1.00 34.43 H new ATOM 0 HH11 ARG A 117 -5.483 0.070 13.368 1.00 34.02 H new ATOM 0 HH12 ARG A 117 -7.131 -0.515 13.623 1.00 34.02 H new ATOM 0 HH21 ARG A 117 -7.982 2.011 15.934 1.00 20.44 H new ATOM 0 HH22 ARG A 117 -8.534 0.576 15.063 1.00 20.44 H new ATOM 1740 N ASN A 118 -1.385 4.642 14.150 1.00 14.41 N ATOM 1741 CA ASN A 118 0.026 4.808 13.875 1.00 44.20 C ATOM 1742 C ASN A 118 0.675 3.473 13.595 1.00 53.12 C ATOM 1743 O ASN A 118 1.255 3.279 12.543 1.00 14.50 O ATOM 1744 CB ASN A 118 0.757 5.565 14.994 1.00 45.32 C ATOM 1745 CG ASN A 118 0.154 6.938 15.267 1.00 24.24 C ATOM 1746 OD1 ASN A 118 -0.697 7.093 16.153 1.00 31.32 O ATOM 1747 ND2 ASN A 118 0.547 7.931 14.515 1.00 44.43 N ATOM 0 H ASN A 118 -1.604 4.219 15.052 1.00 14.41 H new ATOM 0 HA ASN A 118 0.111 5.425 12.980 1.00 44.20 H new ATOM 0 HB2 ASN A 118 0.727 4.972 15.908 1.00 45.32 H new ATOM 0 HB3 ASN A 118 1.806 5.681 14.723 1.00 45.32 H new ATOM 0 HD21 ASN A 118 0.151 8.861 14.651 1.00 44.43 H new ATOM 0 HD22 ASN A 118 1.250 7.776 13.792 1.00 44.43 H new ATOM 1754 N ALA A 119 0.571 2.538 14.508 1.00 55.44 N ATOM 1755 CA ALA A 119 1.092 1.223 14.234 1.00 0.34 C ATOM 1756 C ALA A 119 -0.025 0.238 14.388 1.00 0.45 C ATOM 1757 O ALA A 119 -0.767 0.281 15.372 1.00 72.40 O ATOM 1758 CB ALA A 119 2.236 0.891 15.179 1.00 43.34 C ATOM 0 H ALA A 119 0.141 2.658 15.425 1.00 55.44 H new ATOM 0 HA ALA A 119 1.486 1.182 13.219 1.00 0.34 H new ATOM 0 HB1 ALA A 119 2.615 -0.106 14.955 1.00 43.34 H new ATOM 0 HB2 ALA A 119 3.036 1.620 15.052 1.00 43.34 H new ATOM 0 HB3 ALA A 119 1.878 0.921 16.208 1.00 43.34 H new ATOM 1764 N GLN A 120 -0.155 -0.634 13.433 1.00 42.14 N ATOM 1765 CA GLN A 120 -1.221 -1.607 13.430 1.00 62.41 C ATOM 1766 C GLN A 120 -0.885 -2.833 12.626 1.00 44.23 C ATOM 1767 O GLN A 120 -0.085 -2.757 11.683 1.00 25.40 O ATOM 1768 CB GLN A 120 -2.568 -1.075 13.043 1.00 24.31 C ATOM 1769 CG GLN A 120 -2.776 -0.818 11.589 1.00 54.22 C ATOM 1770 CD GLN A 120 -4.195 -1.095 11.290 1.00 22.24 C ATOM 1771 OE1 GLN A 120 -5.047 -0.217 11.362 1.00 0.42 O ATOM 1772 NE2 GLN A 120 -4.474 -2.336 11.042 1.00 33.21 N ATOM 0 H GLN A 120 0.472 -0.696 12.631 1.00 42.14 H new ATOM 0 HA GLN A 120 -1.305 -1.891 14.479 1.00 62.41 H new ATOM 0 HB2 GLN A 120 -3.326 -1.782 13.379 1.00 24.31 H new ATOM 0 HB3 GLN A 120 -2.738 -0.144 13.584 1.00 24.31 H new ATOM 0 HG2 GLN A 120 -2.526 0.214 11.342 1.00 54.22 H new ATOM 0 HG3 GLN A 120 -2.126 -1.456 10.990 1.00 54.22 H new ATOM 0 HE21 GLN A 120 -3.725 -3.027 10.993 1.00 33.21 H new ATOM 0 HE22 GLN A 120 -5.442 -2.622 10.896 1.00 33.21 H new ATOM 1781 N VAL A 121 -1.441 -3.951 13.008 1.00 3.11 N ATOM 1782 CA VAL A 121 -1.202 -5.182 12.294 1.00 51.43 C ATOM 1783 C VAL A 121 -2.013 -5.059 11.023 1.00 11.22 C ATOM 1784 O VAL A 121 -3.172 -4.676 11.090 1.00 34.22 O ATOM 1785 CB VAL A 121 -1.680 -6.411 13.105 1.00 13.23 C ATOM 1786 CG1 VAL A 121 -1.400 -7.704 12.352 1.00 23.54 C ATOM 1787 CG2 VAL A 121 -1.025 -6.441 14.480 1.00 42.23 C ATOM 0 H VAL A 121 -2.064 -4.038 13.811 1.00 3.11 H new ATOM 0 HA VAL A 121 -0.139 -5.330 12.106 1.00 51.43 H new ATOM 0 HB VAL A 121 -2.758 -6.323 13.240 1.00 13.23 H new ATOM 0 HG11 VAL A 121 -1.745 -8.552 12.944 1.00 23.54 H new ATOM 0 HG12 VAL A 121 -1.925 -7.690 11.397 1.00 23.54 H new ATOM 0 HG13 VAL A 121 -0.328 -7.797 12.175 1.00 23.54 H new ATOM 0 HG21 VAL A 121 -1.376 -7.313 15.031 1.00 42.23 H new ATOM 0 HG22 VAL A 121 0.058 -6.495 14.366 1.00 42.23 H new ATOM 0 HG23 VAL A 121 -1.287 -5.536 15.028 1.00 42.23 H new ATOM 1797 N MET A 122 -1.437 -5.353 9.901 1.00 34.41 N ATOM 1798 CA MET A 122 -2.105 -5.083 8.653 1.00 54.52 C ATOM 1799 C MET A 122 -2.954 -6.270 8.255 1.00 50.42 C ATOM 1800 O MET A 122 -2.484 -7.416 8.222 1.00 62.53 O ATOM 1801 CB MET A 122 -1.053 -4.738 7.589 1.00 13.44 C ATOM 1802 CG MET A 122 -1.600 -4.308 6.240 1.00 41.50 C ATOM 1803 SD MET A 122 -0.339 -3.513 5.193 1.00 40.32 S ATOM 1804 CE MET A 122 0.974 -4.729 5.194 1.00 32.05 C ATOM 0 H MET A 122 -0.513 -5.777 9.815 1.00 34.41 H new ATOM 0 HA MET A 122 -2.776 -4.230 8.756 1.00 54.52 H new ATOM 0 HB2 MET A 122 -0.420 -3.939 7.975 1.00 13.44 H new ATOM 0 HB3 MET A 122 -0.413 -5.608 7.441 1.00 13.44 H new ATOM 0 HG2 MET A 122 -2.002 -5.178 5.721 1.00 41.50 H new ATOM 0 HG3 MET A 122 -2.429 -3.617 6.392 1.00 41.50 H new ATOM 0 HE1 MET A 122 1.699 -4.482 4.418 1.00 32.05 H new ATOM 0 HE2 MET A 122 1.468 -4.730 6.166 1.00 32.05 H new ATOM 0 HE3 MET A 122 0.556 -5.716 4.999 1.00 32.05 H new ATOM 1814 N GLN A 123 -4.192 -5.980 7.952 1.00 32.15 N ATOM 1815 CA GLN A 123 -5.193 -6.963 7.674 1.00 22.31 C ATOM 1816 C GLN A 123 -5.690 -6.778 6.255 1.00 63.03 C ATOM 1817 O GLN A 123 -5.573 -5.691 5.678 1.00 32.54 O ATOM 1818 CB GLN A 123 -6.358 -6.775 8.647 1.00 1.02 C ATOM 1819 CG GLN A 123 -5.938 -6.730 10.106 1.00 34.51 C ATOM 1820 CD GLN A 123 -7.082 -6.433 11.047 1.00 35.34 C ATOM 1821 OE1 GLN A 123 -8.239 -6.805 10.803 1.00 60.34 O ATOM 1822 NE2 GLN A 123 -6.786 -5.744 12.110 1.00 63.44 N ATOM 0 H GLN A 123 -4.537 -5.022 7.891 1.00 32.15 H new ATOM 0 HA GLN A 123 -4.775 -7.963 7.788 1.00 22.31 H new ATOM 0 HB2 GLN A 123 -6.879 -5.850 8.400 1.00 1.02 H new ATOM 0 HB3 GLN A 123 -7.070 -7.589 8.509 1.00 1.02 H new ATOM 0 HG2 GLN A 123 -5.491 -7.686 10.378 1.00 34.51 H new ATOM 0 HG3 GLN A 123 -5.166 -5.970 10.232 1.00 34.51 H new ATOM 0 HE21 GLN A 123 -5.822 -5.455 12.278 1.00 63.44 H new ATOM 0 HE22 GLN A 123 -7.517 -5.493 12.775 1.00 63.44 H new ATOM 1831 N THR A 124 -6.225 -7.821 5.682 1.00 60.12 N ATOM 1832 CA THR A 124 -6.716 -7.733 4.350 1.00 74.23 C ATOM 1833 C THR A 124 -8.000 -6.877 4.358 1.00 23.02 C ATOM 1834 O THR A 124 -8.900 -7.070 5.198 1.00 0.43 O ATOM 1835 CB THR A 124 -6.923 -9.158 3.706 1.00 51.23 C ATOM 1836 OG1 THR A 124 -7.237 -9.058 2.308 1.00 32.22 O ATOM 1837 CG2 THR A 124 -8.002 -9.970 4.416 1.00 13.21 C ATOM 0 H THR A 124 -6.328 -8.736 6.122 1.00 60.12 H new ATOM 0 HA THR A 124 -5.979 -7.243 3.714 1.00 74.23 H new ATOM 0 HB THR A 124 -5.976 -9.684 3.825 1.00 51.23 H new ATOM 0 HG1 THR A 124 -7.358 -9.956 1.935 1.00 32.22 H new ATOM 0 HG21 THR A 124 -8.103 -10.942 3.932 1.00 13.21 H new ATOM 0 HG22 THR A 124 -7.723 -10.112 5.460 1.00 13.21 H new ATOM 0 HG23 THR A 124 -8.952 -9.438 4.363 1.00 13.21 H new ATOM 1845 N GLY A 125 -8.046 -5.914 3.478 1.00 44.42 N ATOM 1846 CA GLY A 125 -9.155 -5.012 3.423 1.00 13.13 C ATOM 1847 C GLY A 125 -8.869 -3.673 4.092 1.00 44.43 C ATOM 1848 O GLY A 125 -9.714 -2.776 4.040 1.00 1.43 O ATOM 0 H GLY A 125 -7.319 -5.736 2.785 1.00 44.42 H new ATOM 0 HA2 GLY A 125 -9.425 -4.841 2.381 1.00 13.13 H new ATOM 0 HA3 GLY A 125 -10.017 -5.475 3.904 1.00 13.13 H new ATOM 1852 N ASP A 126 -7.689 -3.519 4.712 1.00 54.01 N ATOM 1853 CA ASP A 126 -7.318 -2.214 5.298 1.00 60.02 C ATOM 1854 C ASP A 126 -7.091 -1.196 4.213 1.00 2.23 C ATOM 1855 O ASP A 126 -6.476 -1.502 3.171 1.00 20.13 O ATOM 1856 CB ASP A 126 -6.029 -2.252 6.164 1.00 34.03 C ATOM 1857 CG ASP A 126 -6.210 -2.734 7.587 1.00 24.41 C ATOM 1858 OD1 ASP A 126 -7.074 -2.187 8.306 1.00 64.53 O ATOM 1859 OD2 ASP A 126 -5.478 -3.642 8.009 1.00 4.12 O ATOM 0 H ASP A 126 -6.991 -4.255 4.821 1.00 54.01 H new ATOM 0 HA ASP A 126 -8.157 -1.948 5.942 1.00 60.02 H new ATOM 0 HB2 ASP A 126 -5.301 -2.896 5.671 1.00 34.03 H new ATOM 0 HB3 ASP A 126 -5.601 -1.250 6.191 1.00 34.03 H new ATOM 1864 N GLU A 127 -7.590 -0.005 4.426 1.00 44.22 N ATOM 1865 CA GLU A 127 -7.303 1.082 3.547 1.00 33.21 C ATOM 1866 C GLU A 127 -6.460 2.083 4.316 1.00 51.52 C ATOM 1867 O GLU A 127 -6.822 2.528 5.401 1.00 74.21 O ATOM 1868 CB GLU A 127 -8.585 1.730 2.968 1.00 32.14 C ATOM 1869 CG GLU A 127 -9.521 2.328 4.000 1.00 32.10 C ATOM 1870 CD GLU A 127 -10.749 2.937 3.407 1.00 14.52 C ATOM 1871 OE1 GLU A 127 -11.753 2.222 3.210 1.00 34.51 O ATOM 1872 OE2 GLU A 127 -10.773 4.150 3.174 1.00 54.43 O ATOM 0 H GLU A 127 -8.201 0.230 5.209 1.00 44.22 H new ATOM 0 HA GLU A 127 -6.754 0.716 2.679 1.00 33.21 H new ATOM 0 HB2 GLU A 127 -8.294 2.512 2.267 1.00 32.14 H new ATOM 0 HB3 GLU A 127 -9.129 0.977 2.398 1.00 32.14 H new ATOM 0 HG2 GLU A 127 -9.815 1.551 4.706 1.00 32.10 H new ATOM 0 HG3 GLU A 127 -8.985 3.089 4.568 1.00 32.10 H new ATOM 1879 N ILE A 128 -5.359 2.421 3.769 1.00 12.42 N ATOM 1880 CA ILE A 128 -4.428 3.296 4.417 1.00 34.42 C ATOM 1881 C ILE A 128 -4.342 4.555 3.610 1.00 43.04 C ATOM 1882 O ILE A 128 -3.958 4.521 2.443 1.00 33.24 O ATOM 1883 CB ILE A 128 -3.035 2.621 4.514 1.00 74.31 C ATOM 1884 CG1 ILE A 128 -3.181 1.238 5.178 1.00 24.24 C ATOM 1885 CG2 ILE A 128 -2.070 3.502 5.311 1.00 44.13 C ATOM 1886 CD1 ILE A 128 -1.917 0.416 5.200 1.00 45.02 C ATOM 0 H ILE A 128 -5.062 2.101 2.847 1.00 12.42 H new ATOM 0 HA ILE A 128 -4.762 3.520 5.430 1.00 34.42 H new ATOM 0 HB ILE A 128 -2.626 2.493 3.512 1.00 74.31 H new ATOM 0 HG12 ILE A 128 -3.527 1.376 6.202 1.00 24.24 H new ATOM 0 HG13 ILE A 128 -3.954 0.677 4.653 1.00 24.24 H new ATOM 0 HG21 ILE A 128 -1.097 3.015 5.370 1.00 44.13 H new ATOM 0 HG22 ILE A 128 -1.963 4.466 4.814 1.00 44.13 H new ATOM 0 HG23 ILE A 128 -2.462 3.653 6.317 1.00 44.13 H new ATOM 0 HD11 ILE A 128 -2.113 -0.540 5.685 1.00 45.02 H new ATOM 0 HD12 ILE A 128 -1.578 0.242 4.179 1.00 45.02 H new ATOM 0 HD13 ILE A 128 -1.144 0.951 5.752 1.00 45.02 H new ATOM 1898 N GLN A 129 -4.726 5.641 4.190 1.00 31.33 N ATOM 1899 CA GLN A 129 -4.730 6.870 3.479 1.00 24.23 C ATOM 1900 C GLN A 129 -3.592 7.770 3.894 1.00 44.20 C ATOM 1901 O GLN A 129 -3.399 8.067 5.085 1.00 74.02 O ATOM 1902 CB GLN A 129 -6.111 7.552 3.493 1.00 4.21 C ATOM 1903 CG GLN A 129 -6.715 7.791 4.859 1.00 31.31 C ATOM 1904 CD GLN A 129 -8.151 8.301 4.792 1.00 72.32 C ATOM 1905 OE1 GLN A 129 -8.962 8.027 5.683 1.00 33.03 O ATOM 1906 NE2 GLN A 129 -8.486 9.032 3.749 1.00 61.53 N ATOM 0 H GLN A 129 -5.042 5.701 5.158 1.00 31.33 H new ATOM 0 HA GLN A 129 -4.543 6.638 2.430 1.00 24.23 H new ATOM 0 HB2 GLN A 129 -6.027 8.511 2.981 1.00 4.21 H new ATOM 0 HB3 GLN A 129 -6.803 6.941 2.913 1.00 4.21 H new ATOM 0 HG2 GLN A 129 -6.691 6.862 5.429 1.00 31.31 H new ATOM 0 HG3 GLN A 129 -6.103 8.513 5.400 1.00 31.31 H new ATOM 0 HE21 GLN A 129 -7.794 9.241 3.030 1.00 61.53 H new ATOM 0 HE22 GLN A 129 -9.437 9.389 3.661 1.00 61.53 H new ATOM 1915 N ILE A 130 -2.817 8.148 2.904 1.00 62.20 N ATOM 1916 CA ILE A 130 -1.655 8.974 3.078 1.00 53.55 C ATOM 1917 C ILE A 130 -2.011 10.306 2.466 1.00 51.02 C ATOM 1918 O ILE A 130 -1.967 10.432 1.242 1.00 10.23 O ATOM 1919 CB ILE A 130 -0.457 8.428 2.227 1.00 40.12 C ATOM 1920 CG1 ILE A 130 -0.344 6.877 2.252 1.00 63.54 C ATOM 1921 CG2 ILE A 130 0.857 9.091 2.621 1.00 42.21 C ATOM 1922 CD1 ILE A 130 -0.144 6.240 3.604 1.00 1.13 C ATOM 0 H ILE A 130 -2.985 7.881 1.934 1.00 62.20 H new ATOM 0 HA ILE A 130 -1.378 9.014 4.132 1.00 53.55 H new ATOM 0 HB ILE A 130 -0.673 8.698 1.193 1.00 40.12 H new ATOM 0 HG12 ILE A 130 -1.249 6.462 1.809 1.00 63.54 H new ATOM 0 HG13 ILE A 130 0.487 6.585 1.611 1.00 63.54 H new ATOM 0 HG21 ILE A 130 1.665 8.688 2.011 1.00 42.21 H new ATOM 0 HG22 ILE A 130 0.784 10.167 2.462 1.00 42.21 H new ATOM 0 HG23 ILE A 130 1.063 8.893 3.673 1.00 42.21 H new ATOM 0 HD11 ILE A 130 -0.080 5.158 3.490 1.00 1.13 H new ATOM 0 HD12 ILE A 130 0.778 6.613 4.049 1.00 1.13 H new ATOM 0 HD13 ILE A 130 -0.985 6.488 4.251 1.00 1.13 H new ATOM 1934 N GLY A 131 -2.339 11.284 3.280 1.00 31.24 N ATOM 1935 CA GLY A 131 -2.767 12.577 2.759 1.00 72.11 C ATOM 1936 C GLY A 131 -3.973 12.449 1.809 1.00 31.22 C ATOM 1937 O GLY A 131 -5.116 12.342 2.255 1.00 51.24 O ATOM 0 H GLY A 131 -2.320 11.217 4.298 1.00 31.24 H new ATOM 0 HA2 GLY A 131 -3.028 13.233 3.589 1.00 72.11 H new ATOM 0 HA3 GLY A 131 -1.938 13.047 2.230 1.00 72.11 H new ATOM 1941 N LYS A 132 -3.699 12.442 0.511 1.00 13.33 N ATOM 1942 CA LYS A 132 -4.731 12.291 -0.517 1.00 51.34 C ATOM 1943 C LYS A 132 -4.830 10.832 -1.002 1.00 32.00 C ATOM 1944 O LYS A 132 -5.891 10.386 -1.449 1.00 34.03 O ATOM 1945 CB LYS A 132 -4.442 13.214 -1.713 1.00 43.24 C ATOM 1946 CG LYS A 132 -3.084 12.970 -2.372 1.00 61.42 C ATOM 1947 CD LYS A 132 -2.846 13.855 -3.593 1.00 62.13 C ATOM 1948 CE LYS A 132 -2.917 15.349 -3.275 1.00 25.50 C ATOM 1949 NZ LYS A 132 -1.952 15.773 -2.224 1.00 0.22 N ATOM 0 H LYS A 132 -2.755 12.541 0.137 1.00 13.33 H new ATOM 0 HA LYS A 132 -5.684 12.571 -0.068 1.00 51.34 H new ATOM 0 HB2 LYS A 132 -5.226 13.081 -2.459 1.00 43.24 H new ATOM 0 HB3 LYS A 132 -4.492 14.251 -1.379 1.00 43.24 H new ATOM 0 HG2 LYS A 132 -2.295 13.148 -1.642 1.00 61.42 H new ATOM 0 HG3 LYS A 132 -3.013 11.924 -2.669 1.00 61.42 H new ATOM 0 HD2 LYS A 132 -1.868 13.626 -4.015 1.00 62.13 H new ATOM 0 HD3 LYS A 132 -3.586 13.617 -4.357 1.00 62.13 H new ATOM 0 HE2 LYS A 132 -2.725 15.917 -4.185 1.00 25.50 H new ATOM 0 HE3 LYS A 132 -3.928 15.597 -2.952 1.00 25.50 H new ATOM 0 HZ1 LYS A 132 -1.605 16.730 -2.437 1.00 0.22 H new ATOM 0 HZ2 LYS A 132 -2.425 15.774 -1.298 1.00 0.22 H new ATOM 0 HZ3 LYS A 132 -1.150 15.111 -2.202 1.00 0.22 H new ATOM 1963 N PHE A 133 -3.747 10.088 -0.845 1.00 30.40 N ATOM 1964 CA PHE A 133 -3.650 8.715 -1.343 1.00 22.41 C ATOM 1965 C PHE A 133 -4.438 7.787 -0.465 1.00 52.41 C ATOM 1966 O PHE A 133 -4.576 8.041 0.717 1.00 40.50 O ATOM 1967 CB PHE A 133 -2.203 8.204 -1.306 1.00 72.14 C ATOM 1968 CG PHE A 133 -1.203 8.930 -2.145 1.00 22.45 C ATOM 1969 CD1 PHE A 133 -0.663 10.133 -1.725 1.00 60.51 C ATOM 1970 CD2 PHE A 133 -0.769 8.384 -3.335 1.00 44.24 C ATOM 1971 CE1 PHE A 133 0.284 10.777 -2.477 1.00 52.44 C ATOM 1972 CE2 PHE A 133 0.176 9.026 -4.095 1.00 2.13 C ATOM 1973 CZ PHE A 133 0.704 10.225 -3.665 1.00 60.03 C ATOM 0 H PHE A 133 -2.906 10.415 -0.369 1.00 30.40 H new ATOM 0 HA PHE A 133 -4.028 8.729 -2.365 1.00 22.41 H new ATOM 0 HB2 PHE A 133 -1.861 8.232 -0.272 1.00 72.14 H new ATOM 0 HB3 PHE A 133 -2.206 7.158 -1.612 1.00 72.14 H new ATOM 0 HD1 PHE A 133 -0.992 10.569 -0.793 1.00 60.51 H new ATOM 0 HD2 PHE A 133 -1.177 7.442 -3.672 1.00 44.24 H new ATOM 0 HE1 PHE A 133 0.699 11.715 -2.138 1.00 52.44 H new ATOM 0 HE2 PHE A 133 0.506 8.593 -5.028 1.00 2.13 H new ATOM 0 HZ PHE A 133 1.448 10.731 -4.262 1.00 60.03 H new ATOM 1983 N ARG A 134 -4.979 6.747 -1.036 1.00 15.12 N ATOM 1984 CA ARG A 134 -5.577 5.698 -0.248 1.00 3.33 C ATOM 1985 C ARG A 134 -5.187 4.350 -0.857 1.00 22.44 C ATOM 1986 O ARG A 134 -5.418 4.097 -2.058 1.00 41.32 O ATOM 1987 CB ARG A 134 -7.110 5.889 -0.053 1.00 61.01 C ATOM 1988 CG ARG A 134 -7.985 5.507 -1.223 1.00 63.20 C ATOM 1989 CD ARG A 134 -9.349 6.176 -1.155 1.00 31.40 C ATOM 1990 NE ARG A 134 -10.097 5.886 0.073 1.00 40.12 N ATOM 1991 CZ ARG A 134 -10.983 6.729 0.621 1.00 54.12 C ATOM 1992 NH1 ARG A 134 -11.227 7.911 0.037 1.00 21.45 N ATOM 1993 NH2 ARG A 134 -11.627 6.379 1.729 1.00 13.51 N ATOM 0 H ARG A 134 -5.020 6.600 -2.045 1.00 15.12 H new ATOM 0 HA ARG A 134 -5.186 5.736 0.769 1.00 3.33 H new ATOM 0 HB2 ARG A 134 -7.421 5.303 0.812 1.00 61.01 H new ATOM 0 HB3 ARG A 134 -7.297 6.936 0.187 1.00 61.01 H new ATOM 0 HG2 ARG A 134 -7.490 5.787 -2.153 1.00 63.20 H new ATOM 0 HG3 ARG A 134 -8.112 4.425 -1.243 1.00 63.20 H new ATOM 0 HD2 ARG A 134 -9.218 7.255 -1.242 1.00 31.40 H new ATOM 0 HD3 ARG A 134 -9.941 5.857 -2.013 1.00 31.40 H new ATOM 0 HE ARG A 134 -9.934 4.992 0.536 1.00 40.12 H new ATOM 0 HH11 ARG A 134 -10.739 8.166 -0.822 1.00 21.45 H new ATOM 0 HH12 ARG A 134 -11.901 8.555 0.451 1.00 21.45 H new ATOM 0 HH21 ARG A 134 -11.446 5.472 2.159 1.00 13.51 H new ATOM 0 HH22 ARG A 134 -12.302 7.017 2.150 1.00 13.51 H new ATOM 2007 N LEU A 135 -4.529 3.555 -0.074 1.00 72.42 N ATOM 2008 CA LEU A 135 -4.058 2.247 -0.480 1.00 11.43 C ATOM 2009 C LEU A 135 -4.960 1.207 0.112 1.00 74.53 C ATOM 2010 O LEU A 135 -5.384 1.349 1.246 1.00 21.12 O ATOM 2011 CB LEU A 135 -2.625 1.968 0.040 1.00 10.15 C ATOM 2012 CG LEU A 135 -1.456 2.834 -0.473 1.00 3.24 C ATOM 2013 CD1 LEU A 135 -1.374 2.819 -1.974 1.00 33.41 C ATOM 2014 CD2 LEU A 135 -1.489 4.255 0.070 1.00 43.04 C ATOM 0 H LEU A 135 -4.293 3.793 0.890 1.00 72.42 H new ATOM 0 HA LEU A 135 -4.055 2.216 -1.570 1.00 11.43 H new ATOM 0 HB2 LEU A 135 -2.647 2.057 1.126 1.00 10.15 H new ATOM 0 HB3 LEU A 135 -2.389 0.929 -0.190 1.00 10.15 H new ATOM 0 HG LEU A 135 -0.545 2.378 -0.085 1.00 3.24 H new ATOM 0 HD11 LEU A 135 -0.539 3.440 -2.299 1.00 33.41 H new ATOM 0 HD12 LEU A 135 -1.222 1.797 -2.320 1.00 33.41 H new ATOM 0 HD13 LEU A 135 -2.301 3.210 -2.393 1.00 33.41 H new ATOM 0 HD21 LEU A 135 -0.642 4.816 -0.326 1.00 43.04 H new ATOM 0 HD22 LEU A 135 -2.418 4.739 -0.233 1.00 43.04 H new ATOM 0 HD23 LEU A 135 -1.431 4.230 1.158 1.00 43.04 H new ATOM 2026 N VAL A 136 -5.266 0.198 -0.633 1.00 1.21 N ATOM 2027 CA VAL A 136 -6.060 -0.895 -0.122 1.00 22.24 C ATOM 2028 C VAL A 136 -5.213 -2.146 -0.145 1.00 24.33 C ATOM 2029 O VAL A 136 -4.670 -2.520 -1.191 1.00 21.04 O ATOM 2030 CB VAL A 136 -7.369 -1.122 -0.924 1.00 24.33 C ATOM 2031 CG1 VAL A 136 -8.187 -2.250 -0.304 1.00 60.30 C ATOM 2032 CG2 VAL A 136 -8.195 0.150 -0.978 1.00 1.32 C ATOM 0 H VAL A 136 -4.981 0.097 -1.607 1.00 1.21 H new ATOM 0 HA VAL A 136 -6.366 -0.646 0.894 1.00 22.24 H new ATOM 0 HB VAL A 136 -7.097 -1.403 -1.942 1.00 24.33 H new ATOM 0 HG11 VAL A 136 -9.101 -2.395 -0.879 1.00 60.30 H new ATOM 0 HG12 VAL A 136 -7.603 -3.170 -0.313 1.00 60.30 H new ATOM 0 HG13 VAL A 136 -8.442 -1.992 0.724 1.00 60.30 H new ATOM 0 HG21 VAL A 136 -9.108 -0.033 -1.545 1.00 1.32 H new ATOM 0 HG22 VAL A 136 -8.453 0.460 0.035 1.00 1.32 H new ATOM 0 HG23 VAL A 136 -7.618 0.938 -1.463 1.00 1.32 H new ATOM 2042 N PHE A 137 -5.069 -2.757 0.993 1.00 35.31 N ATOM 2043 CA PHE A 137 -4.245 -3.926 1.137 1.00 43.52 C ATOM 2044 C PHE A 137 -5.067 -5.200 1.005 1.00 3.34 C ATOM 2045 O PHE A 137 -6.108 -5.350 1.645 1.00 23.53 O ATOM 2046 CB PHE A 137 -3.537 -3.886 2.495 1.00 54.31 C ATOM 2047 CG PHE A 137 -2.690 -5.091 2.790 1.00 44.15 C ATOM 2048 CD1 PHE A 137 -1.445 -5.233 2.216 1.00 33.00 C ATOM 2049 CD2 PHE A 137 -3.142 -6.075 3.659 1.00 44.42 C ATOM 2050 CE1 PHE A 137 -0.666 -6.329 2.497 1.00 0.35 C ATOM 2051 CE2 PHE A 137 -2.369 -7.175 3.944 1.00 32.33 C ATOM 2052 CZ PHE A 137 -1.130 -7.304 3.364 1.00 61.32 C ATOM 0 H PHE A 137 -5.523 -2.458 1.856 1.00 35.31 H new ATOM 0 HA PHE A 137 -3.502 -3.929 0.339 1.00 43.52 H new ATOM 0 HB2 PHE A 137 -2.909 -2.996 2.537 1.00 54.31 H new ATOM 0 HB3 PHE A 137 -4.287 -3.784 3.279 1.00 54.31 H new ATOM 0 HD1 PHE A 137 -1.078 -4.476 1.539 1.00 33.00 H new ATOM 0 HD2 PHE A 137 -4.115 -5.975 4.117 1.00 44.42 H new ATOM 0 HE1 PHE A 137 0.308 -6.430 2.042 1.00 0.35 H new ATOM 0 HE2 PHE A 137 -2.733 -7.934 4.620 1.00 32.33 H new ATOM 0 HZ PHE A 137 -0.518 -8.166 3.584 1.00 61.32 H new ATOM 2062 N LEU A 138 -4.605 -6.099 0.170 1.00 30.03 N ATOM 2063 CA LEU A 138 -5.220 -7.393 0.005 1.00 43.23 C ATOM 2064 C LEU A 138 -4.172 -8.455 0.290 1.00 62.31 C ATOM 2065 O LEU A 138 -3.035 -8.379 -0.206 1.00 43.45 O ATOM 2066 CB LEU A 138 -5.822 -7.612 -1.412 1.00 62.23 C ATOM 2067 CG LEU A 138 -7.012 -6.725 -1.861 1.00 54.23 C ATOM 2068 CD1 LEU A 138 -6.588 -5.294 -2.160 1.00 44.22 C ATOM 2069 CD2 LEU A 138 -7.701 -7.339 -3.072 1.00 55.14 C ATOM 0 H LEU A 138 -3.785 -5.952 -0.419 1.00 30.03 H new ATOM 0 HA LEU A 138 -6.055 -7.459 0.703 1.00 43.23 H new ATOM 0 HB2 LEU A 138 -5.019 -7.479 -2.137 1.00 62.23 H new ATOM 0 HB3 LEU A 138 -6.142 -8.652 -1.478 1.00 62.23 H new ATOM 0 HG LEU A 138 -7.715 -6.683 -1.029 1.00 54.23 H new ATOM 0 HD11 LEU A 138 -7.457 -4.714 -2.470 1.00 44.22 H new ATOM 0 HD12 LEU A 138 -6.155 -4.848 -1.265 1.00 44.22 H new ATOM 0 HD13 LEU A 138 -5.847 -5.294 -2.960 1.00 44.22 H new ATOM 0 HD21 LEU A 138 -8.534 -6.706 -3.376 1.00 55.14 H new ATOM 0 HD22 LEU A 138 -6.989 -7.421 -3.893 1.00 55.14 H new ATOM 0 HD23 LEU A 138 -8.074 -8.330 -2.815 1.00 55.14 H new ATOM 2081 N ALA A 139 -4.515 -9.416 1.087 1.00 11.22 N ATOM 2082 CA ALA A 139 -3.574 -10.448 1.432 1.00 2.11 C ATOM 2083 C ALA A 139 -3.907 -11.743 0.732 1.00 53.30 C ATOM 2084 O ALA A 139 -5.052 -12.177 0.730 1.00 1.22 O ATOM 2085 CB ALA A 139 -3.520 -10.656 2.938 1.00 2.22 C ATOM 0 H ALA A 139 -5.436 -9.513 1.514 1.00 11.22 H new ATOM 0 HA ALA A 139 -2.589 -10.123 1.096 1.00 2.11 H new ATOM 0 HB1 ALA A 139 -2.801 -11.441 3.171 1.00 2.22 H new ATOM 0 HB2 ALA A 139 -3.214 -9.729 3.423 1.00 2.22 H new ATOM 0 HB3 ALA A 139 -4.506 -10.947 3.301 1.00 2.22 H new ATOM 2091 N GLY A 140 -2.917 -12.340 0.125 1.00 4.32 N ATOM 2092 CA GLY A 140 -3.098 -13.633 -0.485 1.00 2.51 C ATOM 2093 C GLY A 140 -3.365 -13.673 -2.000 1.00 54.15 C ATOM 2094 O GLY A 140 -4.298 -14.371 -2.417 1.00 55.31 O ATOM 0 H GLY A 140 -1.977 -11.954 0.039 1.00 4.32 H new ATOM 0 HA2 GLY A 140 -2.206 -14.227 -0.285 1.00 2.51 H new ATOM 0 HA3 GLY A 140 -3.930 -14.128 0.016 1.00 2.51 H new ATOM 2098 N PRO A 141 -2.616 -12.934 -2.867 1.00 35.35 N ATOM 2099 CA PRO A 141 -2.727 -13.138 -4.306 1.00 43.44 C ATOM 2100 C PRO A 141 -2.078 -14.456 -4.688 1.00 33.05 C ATOM 2101 O PRO A 141 -1.173 -14.942 -3.983 1.00 42.31 O ATOM 2102 CB PRO A 141 -1.940 -11.991 -4.919 1.00 32.42 C ATOM 2103 CG PRO A 141 -0.984 -11.578 -3.861 1.00 24.20 C ATOM 2104 CD PRO A 141 -1.655 -11.871 -2.548 1.00 13.32 C ATOM 0 HA PRO A 141 -3.763 -13.165 -4.643 1.00 43.44 H new ATOM 0 HB2 PRO A 141 -1.418 -12.308 -5.822 1.00 32.42 H new ATOM 0 HB3 PRO A 141 -2.596 -11.168 -5.202 1.00 32.42 H new ATOM 0 HG2 PRO A 141 -0.046 -12.126 -3.949 1.00 24.20 H new ATOM 0 HG3 PRO A 141 -0.743 -10.518 -3.947 1.00 24.20 H new ATOM 0 HD2 PRO A 141 -0.936 -12.196 -1.796 1.00 13.32 H new ATOM 0 HD3 PRO A 141 -2.155 -10.988 -2.150 1.00 13.32 H new ATOM 2112 N ALA A 142 -2.495 -15.004 -5.776 1.00 71.14 N ATOM 2113 CA ALA A 142 -1.978 -16.263 -6.235 1.00 61.51 C ATOM 2114 C ALA A 142 -2.174 -16.401 -7.720 1.00 14.53 C ATOM 2115 O ALA A 142 -3.182 -16.943 -8.186 1.00 11.43 O ATOM 2116 CB ALA A 142 -2.611 -17.437 -5.489 1.00 14.53 C ATOM 0 H ALA A 142 -3.208 -14.596 -6.381 1.00 71.14 H new ATOM 0 HA ALA A 142 -0.909 -16.283 -6.023 1.00 61.51 H new ATOM 0 HB1 ALA A 142 -2.195 -18.373 -5.863 1.00 14.53 H new ATOM 0 HB2 ALA A 142 -2.400 -17.347 -4.423 1.00 14.53 H new ATOM 0 HB3 ALA A 142 -3.689 -17.430 -5.648 1.00 14.53 H new ATOM 2122 N GLU A 143 -1.271 -15.845 -8.459 1.00 22.41 N ATOM 2123 CA GLU A 143 -1.306 -15.950 -9.879 1.00 12.20 C ATOM 2124 C GLU A 143 -0.264 -16.971 -10.277 1.00 22.21 C ATOM 2125 O GLU A 143 -0.634 -18.091 -10.680 1.00 36.56 O ATOM 2126 CB GLU A 143 -1.038 -14.590 -10.539 1.00 52.24 C ATOM 2127 CG GLU A 143 -1.156 -14.593 -12.061 1.00 30.02 C ATOM 2128 CD GLU A 143 -2.563 -14.879 -12.566 1.00 32.32 C ATOM 2129 OE1 GLU A 143 -2.987 -16.065 -12.574 1.00 72.43 O ATOM 2130 OE2 GLU A 143 -3.261 -13.917 -12.984 1.00 31.42 O ATOM 2131 OXT GLU A 143 0.938 -16.711 -10.062 1.00 36.56 O ATOM 0 H GLU A 143 -0.487 -15.304 -8.094 1.00 22.41 H new ATOM 0 HA GLU A 143 -2.293 -16.266 -10.217 1.00 12.20 H new ATOM 0 HB2 GLU A 143 -1.738 -13.859 -10.134 1.00 52.24 H new ATOM 0 HB3 GLU A 143 -0.037 -14.258 -10.265 1.00 52.24 H new ATOM 0 HG2 GLU A 143 -0.832 -13.625 -12.443 1.00 30.02 H new ATOM 0 HG3 GLU A 143 -0.475 -15.340 -12.468 1.00 30.02 H new