USER MOD reduce.3.24.130724 H: found=0, std=0, add=1145, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1148 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 75 TYR OH : rot 22:sc= 0.778 USER MOD Set 1.2: A 159 THR OG1 : rot 76:sc= 1.96 USER MOD Set 2.1: A 27 GLN :FLIP amide:sc= -1.69 F(o=-5.4,f=-4.8) USER MOD Set 2.2: A 163 ASN : amide:sc= -3.15 K(o=-4.8,f=-5.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 30 GLN : amide:sc= -0.813 K(o=-0.81,f=-1.9) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.102 F(o=-0.81,f=-0.1) USER MOD Single : A 35 MET CE :methyl -117:sc= -1.83 (180deg=-2.95!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -138:sc= -0.223 (180deg=-2.21) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= 0.86 K(o=0.86,f=-3.1!) USER MOD Single : A 59 ASN : amide:sc= -0.987 K(o=-0.99,f=-6.2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= -0.0165 (180deg=-0.129) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= 0.0934 (180deg=-1.3!) USER MOD Single : A 85 ASN : amide:sc= 1.39 K(o=1.4,f=-0.078) USER MOD Single : A 88 CYS SG : rot -29:sc= 0.368 USER MOD Single : A 95 HIS :FLIP no HD1:sc= -0.442 F(o=-1.6,f=-0.44) USER MOD Single : A 96 ASN : amide:sc= 0.954 K(o=0.95,f=-5.5!) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.0294 (180deg=-0.302) USER MOD Single : A 98 MET CE :methyl -139:sc= -0.603 (180deg=-2.21!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.081) USER MOD Single : A 108 SER OG : rot 77:sc= 0.75 USER MOD Single : A 109 HIS : no HD1:sc= -0.0633 X(o=-0.063,f=-0.33) USER MOD Single : A 110 GLN :FLIP amide:sc= -0.617 F(o=-1.7!,f=-0.62) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN :FLIP amide:sc= -0.121 F(o=-1.1,f=-0.12) USER MOD Single : A 115 THR OG1 : rot -79:sc= 0.322 USER MOD Single : A 116 SER OG : rot 81:sc= 0.763 USER MOD Single : A 117 HIS : no HE2:sc= 0.461 K(o=0.46,f=-2.1!) USER MOD Single : A 120 ASN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 122 CYS SG : rot 77:sc= 0.128 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 146 MET CE :methyl -160:sc= -0.149 (180deg=-0.649) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 THR OG1 : rot -75:sc= 0.526 USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.053) USER MOD Single : A 160 THR OG1 : rot 73:sc= 0.916 USER MOD Single : A 161 THR OG1 : rot -167:sc= 0.438 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 ASN : amide:sc= -1.01! X(o=-1!,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 215 N ARG A 14 -0.894 11.555 12.501 1.00 72.15 N ATOM 216 CA ARG A 14 0.388 11.359 13.189 1.00 1.42 C ATOM 217 C ARG A 14 0.326 10.204 14.205 1.00 2.14 C ATOM 218 O ARG A 14 -0.750 9.694 14.523 1.00 75.35 O ATOM 219 CB ARG A 14 0.803 12.651 13.913 1.00 20.44 C ATOM 220 CG ARG A 14 -0.126 13.042 15.062 1.00 24.33 C ATOM 221 CD ARG A 14 0.330 14.324 15.751 1.00 45.41 C ATOM 222 NE ARG A 14 0.364 15.462 14.836 1.00 22.33 N ATOM 223 CZ ARG A 14 0.829 16.640 15.152 1.00 64.00 C ATOM 224 NH1 ARG A 14 1.276 16.880 16.342 1.00 72.33 N ATOM 225 NH2 ARG A 14 0.830 17.584 14.274 1.00 44.55 N ATOM 0 HA ARG A 14 1.127 11.103 12.429 1.00 1.42 H new ATOM 0 HB2 ARG A 14 1.814 12.530 14.301 1.00 20.44 H new ATOM 0 HB3 ARG A 14 0.835 13.467 13.191 1.00 20.44 H new ATOM 0 HG2 ARG A 14 -1.139 13.175 14.681 1.00 24.33 H new ATOM 0 HG3 ARG A 14 -0.163 12.232 15.790 1.00 24.33 H new ATOM 0 HD2 ARG A 14 -0.341 14.547 16.580 1.00 45.41 H new ATOM 0 HD3 ARG A 14 1.322 14.172 16.176 1.00 45.41 H new ATOM 0 HE ARG A 14 0.002 15.328 13.892 1.00 22.33 H new ATOM 0 HH11 ARG A 14 1.268 16.144 17.048 1.00 72.33 H new ATOM 0 HH12 ARG A 14 1.636 17.805 16.574 1.00 72.33 H new ATOM 0 HH21 ARG A 14 0.468 17.409 13.336 1.00 44.55 H new ATOM 0 HH22 ARG A 14 1.192 18.506 14.517 1.00 44.55 H new ATOM 239 N LEU A 15 1.493 9.814 14.714 1.00 42.31 N ATOM 240 CA LEU A 15 1.603 8.770 15.744 1.00 5.50 C ATOM 241 C LEU A 15 2.725 9.101 16.742 1.00 33.15 C ATOM 242 O LEU A 15 3.671 9.814 16.404 1.00 63.10 O ATOM 243 CB LEU A 15 1.824 7.384 15.095 1.00 13.10 C ATOM 244 CG LEU A 15 2.808 7.332 13.904 1.00 73.15 C ATOM 245 CD1 LEU A 15 4.234 7.674 14.319 1.00 3.42 C ATOM 246 CD2 LEU A 15 2.766 5.965 13.226 1.00 15.35 C ATOM 0 H LEU A 15 2.389 10.208 14.429 1.00 42.31 H new ATOM 0 HA LEU A 15 0.665 8.736 16.298 1.00 5.50 H new ATOM 0 HB2 LEU A 15 2.182 6.700 15.864 1.00 13.10 H new ATOM 0 HB3 LEU A 15 0.859 7.007 14.757 1.00 13.10 H new ATOM 0 HG LEU A 15 2.485 8.091 13.191 1.00 73.15 H new ATOM 0 HD11 LEU A 15 4.888 7.624 13.449 1.00 3.42 H new ATOM 0 HD12 LEU A 15 4.260 8.681 14.735 1.00 3.42 H new ATOM 0 HD13 LEU A 15 4.575 6.962 15.070 1.00 3.42 H new ATOM 0 HD21 LEU A 15 3.466 5.951 12.391 1.00 15.35 H new ATOM 0 HD22 LEU A 15 3.043 5.194 13.945 1.00 15.35 H new ATOM 0 HD23 LEU A 15 1.758 5.772 12.858 1.00 15.35 H new ATOM 258 N PHE A 16 2.600 8.613 17.975 1.00 34.52 N ATOM 259 CA PHE A 16 3.621 8.844 19.010 1.00 61.22 C ATOM 260 C PHE A 16 4.028 7.536 19.704 1.00 15.31 C ATOM 261 O PHE A 16 3.263 6.974 20.491 1.00 55.13 O ATOM 262 CB PHE A 16 3.117 9.855 20.054 1.00 51.23 C ATOM 263 CG PHE A 16 2.945 11.255 19.518 1.00 43.23 C ATOM 264 CD1 PHE A 16 4.053 12.012 19.157 1.00 71.14 C ATOM 265 CD2 PHE A 16 1.682 11.818 19.383 1.00 70.22 C ATOM 266 CE1 PHE A 16 3.904 13.296 18.669 1.00 3.13 C ATOM 267 CE2 PHE A 16 1.531 13.103 18.895 1.00 4.21 C ATOM 268 CZ PHE A 16 2.642 13.841 18.538 1.00 60.14 C ATOM 0 H PHE A 16 1.805 8.055 18.287 1.00 34.52 H new ATOM 0 HA PHE A 16 4.501 9.253 18.513 1.00 61.22 H new ATOM 0 HB2 PHE A 16 2.162 9.508 20.449 1.00 51.23 H new ATOM 0 HB3 PHE A 16 3.818 9.880 20.889 1.00 51.23 H new ATOM 0 HD1 PHE A 16 5.043 11.592 19.259 1.00 71.14 H new ATOM 0 HD2 PHE A 16 0.809 11.246 19.662 1.00 70.22 H new ATOM 0 HE1 PHE A 16 4.774 13.873 18.390 1.00 3.13 H new ATOM 0 HE2 PHE A 16 0.544 13.529 18.793 1.00 4.21 H new ATOM 0 HZ PHE A 16 2.524 14.844 18.156 1.00 60.14 H new ATOM 278 N LEU A 17 5.242 7.067 19.421 1.00 41.40 N ATOM 279 CA LEU A 17 5.745 5.809 19.989 1.00 74.41 C ATOM 280 C LEU A 17 7.277 5.829 20.104 1.00 2.44 C ATOM 281 O LEU A 17 7.918 6.845 19.829 1.00 5.23 O ATOM 282 CB LEU A 17 5.298 4.609 19.130 1.00 31.54 C ATOM 283 CG LEU A 17 5.988 4.455 17.753 1.00 73.42 C ATOM 284 CD1 LEU A 17 5.506 3.191 17.050 1.00 60.23 C ATOM 285 CD2 LEU A 17 5.756 5.677 16.866 1.00 71.22 C ATOM 0 H LEU A 17 5.900 7.538 18.800 1.00 41.40 H new ATOM 0 HA LEU A 17 5.325 5.704 20.989 1.00 74.41 H new ATOM 0 HB2 LEU A 17 5.469 3.697 19.702 1.00 31.54 H new ATOM 0 HB3 LEU A 17 4.223 4.687 18.967 1.00 31.54 H new ATOM 0 HG LEU A 17 7.060 4.373 17.931 1.00 73.42 H new ATOM 0 HD11 LEU A 17 6.002 3.100 16.084 1.00 60.23 H new ATOM 0 HD12 LEU A 17 5.743 2.321 17.663 1.00 60.23 H new ATOM 0 HD13 LEU A 17 4.428 3.247 16.900 1.00 60.23 H new ATOM 0 HD21 LEU A 17 6.256 5.532 15.908 1.00 71.22 H new ATOM 0 HD22 LEU A 17 4.687 5.809 16.701 1.00 71.22 H new ATOM 0 HD23 LEU A 17 6.160 6.563 17.355 1.00 71.22 H new ATOM 297 N ASP A 18 7.859 4.708 20.522 1.00 55.04 N ATOM 298 CA ASP A 18 9.315 4.580 20.618 1.00 61.21 C ATOM 299 C ASP A 18 9.944 4.329 19.235 1.00 41.24 C ATOM 300 O ASP A 18 9.477 3.466 18.485 1.00 12.41 O ATOM 301 CB ASP A 18 9.675 3.431 21.562 1.00 13.25 C ATOM 302 CG ASP A 18 9.033 3.589 22.924 1.00 44.30 C ATOM 303 OD1 ASP A 18 7.862 3.185 23.083 1.00 14.32 O ATOM 304 OD2 ASP A 18 9.687 4.122 23.842 1.00 43.10 O ATOM 0 H ASP A 18 7.345 3.872 20.801 1.00 55.04 H new ATOM 0 HA ASP A 18 9.712 5.516 21.011 1.00 61.21 H new ATOM 0 HB2 ASP A 18 9.358 2.487 21.120 1.00 13.25 H new ATOM 0 HB3 ASP A 18 10.758 3.382 21.676 1.00 13.25 H new ATOM 309 N PRO A 19 11.016 5.071 18.879 1.00 53.05 N ATOM 310 CA PRO A 19 11.740 4.868 17.608 1.00 72.25 C ATOM 311 C PRO A 19 12.178 3.405 17.411 1.00 2.04 C ATOM 312 O PRO A 19 12.198 2.892 16.291 1.00 52.02 O ATOM 313 CB PRO A 19 12.961 5.805 17.727 1.00 13.45 C ATOM 314 CG PRO A 19 13.019 6.218 19.165 1.00 44.40 C ATOM 315 CD PRO A 19 11.606 6.161 19.673 1.00 63.22 C ATOM 0 HA PRO A 19 11.115 5.088 16.743 1.00 72.25 H new ATOM 0 HB2 PRO A 19 13.877 5.294 17.430 1.00 13.45 H new ATOM 0 HB3 PRO A 19 12.854 6.672 17.075 1.00 13.45 H new ATOM 0 HG2 PRO A 19 13.665 5.552 19.736 1.00 44.40 H new ATOM 0 HG3 PRO A 19 13.429 7.223 19.265 1.00 44.40 H new ATOM 0 HD2 PRO A 19 11.569 5.949 20.741 1.00 63.22 H new ATOM 0 HD3 PRO A 19 11.082 7.104 19.517 1.00 63.22 H new ATOM 323 N ASP A 20 12.515 2.741 18.516 1.00 15.32 N ATOM 324 CA ASP A 20 12.863 1.317 18.505 1.00 60.14 C ATOM 325 C ASP A 20 11.642 0.448 18.133 1.00 34.21 C ATOM 326 O ASP A 20 11.727 -0.439 17.277 1.00 2.41 O ATOM 327 CB ASP A 20 13.412 0.926 19.886 1.00 72.21 C ATOM 328 CG ASP A 20 13.697 -0.559 20.024 1.00 4.11 C ATOM 329 OD1 ASP A 20 14.335 -1.135 19.118 1.00 71.12 O ATOM 330 OD2 ASP A 20 13.284 -1.155 21.041 1.00 53.24 O ATOM 0 H ASP A 20 12.555 3.170 19.440 1.00 15.32 H new ATOM 0 HA ASP A 20 13.627 1.141 17.748 1.00 60.14 H new ATOM 0 HB2 ASP A 20 14.329 1.483 20.075 1.00 72.21 H new ATOM 0 HB3 ASP A 20 12.695 1.223 20.651 1.00 72.21 H new ATOM 335 N THR A 21 10.505 0.727 18.769 1.00 34.44 N ATOM 336 CA THR A 21 9.262 -0.016 18.517 1.00 25.31 C ATOM 337 C THR A 21 8.723 0.239 17.099 1.00 64.35 C ATOM 338 O THR A 21 8.170 -0.660 16.458 1.00 54.24 O ATOM 339 CB THR A 21 8.164 0.359 19.546 1.00 13.04 C ATOM 340 OG1 THR A 21 8.669 0.213 20.885 1.00 41.23 O ATOM 341 CG2 THR A 21 6.926 -0.517 19.379 1.00 40.31 C ATOM 0 H THR A 21 10.415 1.465 19.467 1.00 34.44 H new ATOM 0 HA THR A 21 9.508 -1.073 18.618 1.00 25.31 H new ATOM 0 HB THR A 21 7.884 1.397 19.367 1.00 13.04 H new ATOM 0 HG1 THR A 21 7.969 0.454 21.527 1.00 41.23 H new ATOM 0 HG21 THR A 21 6.175 -0.229 20.115 1.00 40.31 H new ATOM 0 HG22 THR A 21 6.520 -0.386 18.376 1.00 40.31 H new ATOM 0 HG23 THR A 21 7.197 -1.562 19.527 1.00 40.31 H new ATOM 349 N ALA A 22 8.893 1.466 16.609 1.00 75.22 N ATOM 350 CA ALA A 22 8.416 1.844 15.271 1.00 12.33 C ATOM 351 C ALA A 22 8.982 0.919 14.183 1.00 31.50 C ATOM 352 O ALA A 22 8.263 0.505 13.272 1.00 1.32 O ATOM 353 CB ALA A 22 8.781 3.296 14.977 1.00 70.32 C ATOM 0 H ALA A 22 9.358 2.219 17.116 1.00 75.22 H new ATOM 0 HA ALA A 22 7.331 1.737 15.260 1.00 12.33 H new ATOM 0 HB1 ALA A 22 8.424 3.567 13.984 1.00 70.32 H new ATOM 0 HB2 ALA A 22 8.317 3.945 15.719 1.00 70.32 H new ATOM 0 HB3 ALA A 22 9.864 3.414 15.018 1.00 70.32 H new ATOM 359 N ILE A 23 10.268 0.590 14.303 1.00 41.02 N ATOM 360 CA ILE A 23 10.940 -0.292 13.341 1.00 5.35 C ATOM 361 C ILE A 23 10.193 -1.624 13.162 1.00 0.31 C ATOM 362 O ILE A 23 9.811 -1.983 12.049 1.00 34.31 O ATOM 363 CB ILE A 23 12.403 -0.576 13.769 1.00 35.41 C ATOM 364 CG1 ILE A 23 13.189 0.744 13.886 1.00 35.50 C ATOM 365 CG2 ILE A 23 13.083 -1.525 12.777 1.00 75.03 C ATOM 366 CD1 ILE A 23 14.624 0.573 14.349 1.00 13.30 C ATOM 0 H ILE A 23 10.869 0.921 15.058 1.00 41.02 H new ATOM 0 HA ILE A 23 10.940 0.234 12.386 1.00 5.35 H new ATOM 0 HB ILE A 23 12.391 -1.060 14.745 1.00 35.41 H new ATOM 0 HG12 ILE A 23 13.189 1.242 12.916 1.00 35.50 H new ATOM 0 HG13 ILE A 23 12.670 1.403 14.582 1.00 35.50 H new ATOM 0 HG21 ILE A 23 14.109 -1.711 13.096 1.00 75.03 H new ATOM 0 HG22 ILE A 23 12.537 -2.468 12.743 1.00 75.03 H new ATOM 0 HG23 ILE A 23 13.088 -1.072 11.785 1.00 75.03 H new ATOM 0 HD11 ILE A 23 15.107 1.549 14.405 1.00 13.30 H new ATOM 0 HD12 ILE A 23 14.635 0.105 15.334 1.00 13.30 H new ATOM 0 HD13 ILE A 23 15.162 -0.058 13.641 1.00 13.30 H new ATOM 378 N GLU A 24 9.968 -2.349 14.260 1.00 4.14 N ATOM 379 CA GLU A 24 9.324 -3.665 14.182 1.00 72.02 C ATOM 380 C GLU A 24 7.914 -3.569 13.584 1.00 52.10 C ATOM 381 O GLU A 24 7.557 -4.352 12.705 1.00 40.53 O ATOM 382 CB GLU A 24 9.265 -4.354 15.557 1.00 2.41 C ATOM 383 CG GLU A 24 8.364 -3.668 16.579 1.00 41.43 C ATOM 384 CD GLU A 24 8.095 -4.534 17.800 1.00 40.02 C ATOM 385 OE1 GLU A 24 8.945 -4.566 18.712 1.00 43.22 O ATOM 386 OE2 GLU A 24 7.034 -5.193 17.850 1.00 1.23 O ATOM 0 H GLU A 24 10.218 -2.053 15.204 1.00 4.14 H new ATOM 0 HA GLU A 24 9.940 -4.273 13.520 1.00 72.02 H new ATOM 0 HB2 GLU A 24 8.920 -5.379 15.420 1.00 2.41 H new ATOM 0 HB3 GLU A 24 10.275 -4.409 15.963 1.00 2.41 H new ATOM 0 HG2 GLU A 24 8.827 -2.734 16.896 1.00 41.43 H new ATOM 0 HG3 GLU A 24 7.416 -3.409 16.106 1.00 41.43 H new ATOM 393 N ARG A 25 7.118 -2.596 14.042 1.00 12.32 N ATOM 394 CA ARG A 25 5.737 -2.454 13.557 1.00 2.22 C ATOM 395 C ARG A 25 5.716 -2.161 12.048 1.00 52.50 C ATOM 396 O ARG A 25 4.927 -2.743 11.301 1.00 74.10 O ATOM 397 CB ARG A 25 4.989 -1.346 14.320 1.00 14.33 C ATOM 398 CG ARG A 25 5.232 -1.361 15.828 1.00 64.42 C ATOM 399 CD ARG A 25 4.162 -0.593 16.606 1.00 14.34 C ATOM 400 NE ARG A 25 3.047 -1.457 17.007 1.00 0.23 N ATOM 401 CZ ARG A 25 1.994 -1.048 17.664 1.00 22.11 C ATOM 402 NH1 ARG A 25 1.811 0.214 17.892 1.00 23.22 N ATOM 403 NH2 ARG A 25 1.109 -1.904 18.071 1.00 52.33 N ATOM 0 H ARG A 25 7.399 -1.904 14.737 1.00 12.32 H new ATOM 0 HA ARG A 25 5.226 -3.400 13.738 1.00 2.22 H new ATOM 0 HB2 ARG A 25 5.291 -0.377 13.923 1.00 14.33 H new ATOM 0 HB3 ARG A 25 3.920 -1.448 14.133 1.00 14.33 H new ATOM 0 HG2 ARG A 25 5.259 -2.393 16.177 1.00 64.42 H new ATOM 0 HG3 ARG A 25 6.210 -0.928 16.039 1.00 64.42 H new ATOM 0 HD2 ARG A 25 4.610 -0.145 17.493 1.00 14.34 H new ATOM 0 HD3 ARG A 25 3.784 0.225 15.992 1.00 14.34 H new ATOM 0 HE ARG A 25 3.097 -2.444 16.756 1.00 0.23 H new ATOM 0 HH11 ARG A 25 2.491 0.897 17.558 1.00 23.22 H new ATOM 0 HH12 ARG A 25 0.986 0.525 18.406 1.00 23.22 H new ATOM 0 HH21 ARG A 25 1.234 -2.898 17.878 1.00 52.33 H new ATOM 0 HH22 ARG A 25 0.288 -1.584 18.584 1.00 52.33 H new ATOM 417 N LEU A 26 6.606 -1.272 11.609 1.00 44.53 N ATOM 418 CA LEU A 26 6.739 -0.937 10.186 1.00 1.50 C ATOM 419 C LEU A 26 7.147 -2.173 9.361 1.00 3.23 C ATOM 420 O LEU A 26 6.658 -2.382 8.247 1.00 23.01 O ATOM 421 CB LEU A 26 7.772 0.187 10.011 1.00 52.15 C ATOM 422 CG LEU A 26 7.927 0.734 8.582 1.00 11.33 C ATOM 423 CD1 LEU A 26 6.607 1.314 8.080 1.00 23.04 C ATOM 424 CD2 LEU A 26 9.033 1.784 8.528 1.00 1.03 C ATOM 0 H LEU A 26 7.249 -0.767 12.219 1.00 44.53 H new ATOM 0 HA LEU A 26 5.771 -0.595 9.820 1.00 1.50 H new ATOM 0 HB2 LEU A 26 7.499 1.012 10.668 1.00 52.15 H new ATOM 0 HB3 LEU A 26 8.742 -0.180 10.347 1.00 52.15 H new ATOM 0 HG LEU A 26 8.206 -0.092 7.927 1.00 11.33 H new ATOM 0 HD11 LEU A 26 6.739 1.695 7.067 1.00 23.04 H new ATOM 0 HD12 LEU A 26 5.845 0.535 8.078 1.00 23.04 H new ATOM 0 HD13 LEU A 26 6.294 2.126 8.736 1.00 23.04 H new ATOM 0 HD21 LEU A 26 9.128 2.160 7.509 1.00 1.03 H new ATOM 0 HD22 LEU A 26 8.785 2.608 9.197 1.00 1.03 H new ATOM 0 HD23 LEU A 26 9.976 1.335 8.839 1.00 1.03 H new ATOM 436 N GLN A 27 8.036 -2.993 9.928 1.00 62.13 N ATOM 437 CA GLN A 27 8.470 -4.240 9.286 1.00 4.34 C ATOM 438 C GLN A 27 7.285 -5.202 9.099 1.00 32.34 C ATOM 439 O GLN A 27 7.147 -5.846 8.057 1.00 32.11 O ATOM 440 CB GLN A 27 9.562 -4.916 10.132 1.00 70.23 C ATOM 441 CG GLN A 27 10.862 -4.121 10.233 1.00 72.43 C ATOM 442 CD GLN A 27 11.699 -4.176 8.966 1.00 1.11 C ATOM 443 OE1 GLN A 27 12.491 -3.151 8.729 1.00 41.24 O flip ATOM 444 NE2 GLN A 27 11.653 -5.144 8.215 1.00 24.30 N flip ATOM 0 H GLN A 27 8.471 -2.816 10.833 1.00 62.13 H new ATOM 0 HA GLN A 27 8.874 -3.995 8.304 1.00 4.34 H new ATOM 0 HB2 GLN A 27 9.174 -5.085 11.137 1.00 70.23 H new ATOM 0 HB3 GLN A 27 9.781 -5.895 9.706 1.00 70.23 H new ATOM 0 HG2 GLN A 27 10.627 -3.081 10.460 1.00 72.43 H new ATOM 0 HG3 GLN A 27 11.451 -4.505 11.066 1.00 72.43 H new ATOM 0 HE21 GLN A 27 11.029 -5.923 8.425 1.00 24.30 H new ATOM 0 HE22 GLN A 27 12.238 -5.170 7.380 1.00 24.30 H new ATOM 453 N ARG A 28 6.434 -5.287 10.120 1.00 25.32 N ATOM 454 CA ARG A 28 5.255 -6.159 10.078 1.00 54.14 C ATOM 455 C ARG A 28 4.241 -5.678 9.027 1.00 71.44 C ATOM 456 O ARG A 28 3.665 -6.484 8.295 1.00 13.11 O ATOM 457 CB ARG A 28 4.584 -6.216 11.461 1.00 44.13 C ATOM 458 CG ARG A 28 5.524 -6.573 12.616 1.00 50.35 C ATOM 459 CD ARG A 28 6.031 -8.016 12.559 1.00 71.21 C ATOM 460 NE ARG A 28 6.925 -8.253 11.425 1.00 52.43 N ATOM 461 CZ ARG A 28 8.229 -8.157 11.477 1.00 15.45 C ATOM 462 NH1 ARG A 28 8.834 -7.861 12.581 1.00 14.44 N ATOM 463 NH2 ARG A 28 8.930 -8.382 10.418 1.00 44.14 N ATOM 0 H ARG A 28 6.537 -4.763 10.989 1.00 25.32 H new ATOM 0 HA ARG A 28 5.590 -7.158 9.798 1.00 54.14 H new ATOM 0 HB2 ARG A 28 4.128 -5.248 11.668 1.00 44.13 H new ATOM 0 HB3 ARG A 28 3.777 -6.948 11.428 1.00 44.13 H new ATOM 0 HG2 ARG A 28 6.377 -5.895 12.604 1.00 50.35 H new ATOM 0 HG3 ARG A 28 5.004 -6.415 13.561 1.00 50.35 H new ATOM 0 HD2 ARG A 28 6.555 -8.250 13.486 1.00 71.21 H new ATOM 0 HD3 ARG A 28 5.180 -8.694 12.494 1.00 71.21 H new ATOM 0 HE ARG A 28 6.503 -8.511 10.533 1.00 52.43 H new ATOM 0 HH11 ARG A 28 8.294 -7.698 13.431 1.00 14.44 H new ATOM 0 HH12 ARG A 28 9.851 -7.791 12.602 1.00 14.44 H new ATOM 0 HH21 ARG A 28 8.468 -8.634 9.544 1.00 44.14 H new ATOM 0 HH22 ARG A 28 9.947 -8.308 10.454 1.00 44.14 H new ATOM 477 N LEU A 29 4.033 -4.361 8.958 1.00 63.41 N ATOM 478 CA LEU A 29 3.073 -3.766 8.015 1.00 40.14 C ATOM 479 C LEU A 29 3.459 -4.018 6.548 1.00 10.44 C ATOM 480 O LEU A 29 2.625 -4.444 5.748 1.00 55.10 O ATOM 481 CB LEU A 29 2.944 -2.257 8.268 1.00 43.51 C ATOM 482 CG LEU A 29 2.322 -1.868 9.619 1.00 30.03 C ATOM 483 CD1 LEU A 29 2.326 -0.354 9.798 1.00 70.34 C ATOM 484 CD2 LEU A 29 0.902 -2.419 9.741 1.00 31.13 C ATOM 0 H LEU A 29 4.517 -3.681 9.545 1.00 63.41 H new ATOM 0 HA LEU A 29 2.113 -4.252 8.189 1.00 40.14 H new ATOM 0 HB2 LEU A 29 3.935 -1.808 8.200 1.00 43.51 H new ATOM 0 HB3 LEU A 29 2.342 -1.822 7.471 1.00 43.51 H new ATOM 0 HG LEU A 29 2.928 -2.309 10.410 1.00 30.03 H new ATOM 0 HD11 LEU A 29 1.882 -0.100 10.760 1.00 70.34 H new ATOM 0 HD12 LEU A 29 3.352 0.014 9.764 1.00 70.34 H new ATOM 0 HD13 LEU A 29 1.748 0.108 8.998 1.00 70.34 H new ATOM 0 HD21 LEU A 29 0.482 -2.131 10.705 1.00 31.13 H new ATOM 0 HD22 LEU A 29 0.284 -2.013 8.940 1.00 31.13 H new ATOM 0 HD23 LEU A 29 0.926 -3.506 9.665 1.00 31.13 H new ATOM 496 N GLN A 30 4.718 -3.750 6.197 1.00 32.40 N ATOM 497 CA GLN A 30 5.190 -3.947 4.818 1.00 15.33 C ATOM 498 C GLN A 30 5.007 -5.412 4.386 1.00 61.40 C ATOM 499 O GLN A 30 4.459 -5.693 3.317 1.00 72.41 O ATOM 500 CB GLN A 30 6.666 -3.514 4.685 1.00 1.44 C ATOM 501 CG GLN A 30 7.174 -3.399 3.240 1.00 71.05 C ATOM 502 CD GLN A 30 7.482 -4.741 2.589 1.00 60.41 C ATOM 503 OE1 GLN A 30 7.880 -5.689 3.251 1.00 11.35 O ATOM 504 NE2 GLN A 30 7.311 -4.826 1.284 1.00 33.30 N ATOM 0 H GLN A 30 5.427 -3.398 6.840 1.00 32.40 H new ATOM 0 HA GLN A 30 4.591 -3.322 4.155 1.00 15.33 H new ATOM 0 HB2 GLN A 30 6.794 -2.550 5.178 1.00 1.44 H new ATOM 0 HB3 GLN A 30 7.290 -4.230 5.219 1.00 1.44 H new ATOM 0 HG2 GLN A 30 6.426 -2.879 2.642 1.00 71.05 H new ATOM 0 HG3 GLN A 30 8.075 -2.785 3.229 1.00 71.05 H new ATOM 0 HE21 GLN A 30 6.978 -4.017 0.760 1.00 33.30 H new ATOM 0 HE22 GLN A 30 7.512 -5.701 0.799 1.00 33.30 H new ATOM 513 N GLN A 31 5.452 -6.342 5.230 1.00 75.54 N ATOM 514 CA GLN A 31 5.286 -7.775 4.956 1.00 34.23 C ATOM 515 C GLN A 31 3.798 -8.166 4.884 1.00 71.22 C ATOM 516 O GLN A 31 3.405 -9.005 4.070 1.00 51.02 O ATOM 517 CB GLN A 31 5.999 -8.612 6.026 1.00 15.43 C ATOM 518 CG GLN A 31 7.519 -8.436 6.047 1.00 30.11 C ATOM 519 CD GLN A 31 8.199 -8.857 4.749 1.00 54.54 C ATOM 520 OE1 GLN A 31 7.635 -9.829 4.057 1.00 14.34 O flip ATOM 521 NE2 GLN A 31 9.242 -8.321 4.376 1.00 14.42 N flip ATOM 0 H GLN A 31 5.929 -6.133 6.107 1.00 75.54 H new ATOM 0 HA GLN A 31 5.736 -7.980 3.985 1.00 34.23 H new ATOM 0 HB2 GLN A 31 5.600 -8.347 7.005 1.00 15.43 H new ATOM 0 HB3 GLN A 31 5.768 -9.665 5.862 1.00 15.43 H new ATOM 0 HG2 GLN A 31 7.753 -7.390 6.248 1.00 30.11 H new ATOM 0 HG3 GLN A 31 7.933 -9.019 6.870 1.00 30.11 H new ATOM 0 HE21 GLN A 31 9.657 -7.572 4.930 1.00 14.42 H new ATOM 0 HE22 GLN A 31 9.692 -8.626 3.513 1.00 14.42 H new ATOM 530 N ALA A 32 2.977 -7.558 5.740 1.00 13.52 N ATOM 531 CA ALA A 32 1.526 -7.777 5.708 1.00 13.41 C ATOM 532 C ALA A 32 0.930 -7.345 4.359 1.00 74.45 C ATOM 533 O ALA A 32 0.061 -8.024 3.803 1.00 72.21 O ATOM 534 CB ALA A 32 0.851 -7.031 6.854 1.00 70.10 C ATOM 0 H ALA A 32 3.289 -6.911 6.464 1.00 13.52 H new ATOM 0 HA ALA A 32 1.342 -8.845 5.829 1.00 13.41 H new ATOM 0 HB1 ALA A 32 -0.225 -7.203 6.817 1.00 70.10 H new ATOM 0 HB2 ALA A 32 1.244 -7.392 7.805 1.00 70.10 H new ATOM 0 HB3 ALA A 32 1.051 -5.964 6.761 1.00 70.10 H new ATOM 540 N LEU A 33 1.412 -6.216 3.838 1.00 13.14 N ATOM 541 CA LEU A 33 1.003 -5.728 2.518 1.00 33.51 C ATOM 542 C LEU A 33 1.288 -6.779 1.433 1.00 41.12 C ATOM 543 O LEU A 33 0.442 -7.044 0.576 1.00 73.31 O ATOM 544 CB LEU A 33 1.728 -4.412 2.190 1.00 72.11 C ATOM 545 CG LEU A 33 1.412 -3.795 0.814 1.00 24.44 C ATOM 546 CD1 LEU A 33 -0.079 -3.489 0.679 1.00 31.34 C ATOM 547 CD2 LEU A 33 2.242 -2.532 0.589 1.00 15.44 C ATOM 0 H LEU A 33 2.090 -5.619 4.312 1.00 13.14 H new ATOM 0 HA LEU A 33 -0.071 -5.543 2.539 1.00 33.51 H new ATOM 0 HB2 LEU A 33 1.480 -3.681 2.960 1.00 72.11 H new ATOM 0 HB3 LEU A 33 2.802 -4.587 2.250 1.00 72.11 H new ATOM 0 HG LEU A 33 1.677 -4.524 0.048 1.00 24.44 H new ATOM 0 HD11 LEU A 33 -0.274 -3.054 -0.301 1.00 31.34 H new ATOM 0 HD12 LEU A 33 -0.651 -4.411 0.788 1.00 31.34 H new ATOM 0 HD13 LEU A 33 -0.377 -2.783 1.454 1.00 31.34 H new ATOM 0 HD21 LEU A 33 2.005 -2.110 -0.388 1.00 15.44 H new ATOM 0 HD22 LEU A 33 2.011 -1.802 1.365 1.00 15.44 H new ATOM 0 HD23 LEU A 33 3.302 -2.781 0.629 1.00 15.44 H new ATOM 559 N GLU A 34 2.471 -7.391 1.492 1.00 65.55 N ATOM 560 CA GLU A 34 2.848 -8.430 0.529 1.00 50.31 C ATOM 561 C GLU A 34 1.924 -9.657 0.629 1.00 13.15 C ATOM 562 O GLU A 34 1.712 -10.355 -0.359 1.00 14.15 O ATOM 563 CB GLU A 34 4.310 -8.856 0.723 1.00 13.23 C ATOM 564 CG GLU A 34 5.306 -7.705 0.623 1.00 14.42 C ATOM 565 CD GLU A 34 6.747 -8.173 0.488 1.00 11.11 C ATOM 566 OE1 GLU A 34 7.116 -9.185 1.121 1.00 1.33 O ATOM 567 OE2 GLU A 34 7.513 -7.538 -0.273 1.00 30.13 O ATOM 0 H GLU A 34 3.183 -7.187 2.193 1.00 65.55 H new ATOM 0 HA GLU A 34 2.737 -8.001 -0.467 1.00 50.31 H new ATOM 0 HB2 GLU A 34 4.414 -9.330 1.699 1.00 13.23 H new ATOM 0 HB3 GLU A 34 4.562 -9.608 -0.025 1.00 13.23 H new ATOM 0 HG2 GLU A 34 5.050 -7.084 -0.236 1.00 14.42 H new ATOM 0 HG3 GLU A 34 5.216 -7.076 1.509 1.00 14.42 H new ATOM 574 N MET A 35 1.379 -9.923 1.821 1.00 54.24 N ATOM 575 CA MET A 35 0.398 -11.007 1.989 1.00 13.21 C ATOM 576 C MET A 35 -0.913 -10.675 1.252 1.00 72.12 C ATOM 577 O MET A 35 -1.512 -11.537 0.602 1.00 53.25 O ATOM 578 CB MET A 35 0.109 -11.270 3.474 1.00 15.43 C ATOM 579 CG MET A 35 1.324 -11.708 4.283 1.00 2.22 C ATOM 580 SD MET A 35 0.874 -12.387 5.896 1.00 20.42 S ATOM 581 CE MET A 35 -0.078 -11.042 6.605 1.00 14.40 C ATOM 0 H MET A 35 1.595 -9.411 2.676 1.00 54.24 H new ATOM 0 HA MET A 35 0.829 -11.910 1.556 1.00 13.21 H new ATOM 0 HB2 MET A 35 -0.301 -10.363 3.918 1.00 15.43 H new ATOM 0 HB3 MET A 35 -0.660 -12.038 3.552 1.00 15.43 H new ATOM 0 HG2 MET A 35 1.881 -12.457 3.720 1.00 2.22 H new ATOM 0 HG3 MET A 35 1.989 -10.856 4.424 1.00 2.22 H new ATOM 0 HE1 MET A 35 0.426 -10.670 7.497 1.00 14.40 H new ATOM 0 HE2 MET A 35 -0.168 -10.236 5.876 1.00 14.40 H new ATOM 0 HE3 MET A 35 -1.071 -11.401 6.873 1.00 14.40 H new ATOM 591 N GLY A 36 -1.352 -9.420 1.359 1.00 43.03 N ATOM 592 CA GLY A 36 -2.532 -8.975 0.625 1.00 60.11 C ATOM 593 C GLY A 36 -2.341 -9.060 -0.884 1.00 33.12 C ATOM 594 O GLY A 36 -3.181 -9.608 -1.601 1.00 21.31 O ATOM 0 H GLY A 36 -0.914 -8.704 1.939 1.00 43.03 H new ATOM 0 HA2 GLY A 36 -3.388 -9.584 0.915 1.00 60.11 H new ATOM 0 HA3 GLY A 36 -2.763 -7.946 0.902 1.00 60.11 H new ATOM 598 N VAL A 37 -1.216 -8.531 -1.359 1.00 24.54 N ATOM 599 CA VAL A 37 -0.860 -8.588 -2.780 1.00 23.24 C ATOM 600 C VAL A 37 -0.653 -10.046 -3.244 1.00 74.22 C ATOM 601 O VAL A 37 -1.007 -10.407 -4.367 1.00 43.34 O ATOM 602 CB VAL A 37 0.417 -7.751 -3.065 1.00 4.34 C ATOM 603 CG1 VAL A 37 0.750 -7.738 -4.556 1.00 60.43 C ATOM 604 CG2 VAL A 37 0.253 -6.325 -2.539 1.00 61.45 C ATOM 0 H VAL A 37 -0.528 -8.053 -0.777 1.00 24.54 H new ATOM 0 HA VAL A 37 -1.689 -8.162 -3.344 1.00 23.24 H new ATOM 0 HB VAL A 37 1.249 -8.222 -2.541 1.00 4.34 H new ATOM 0 HG11 VAL A 37 1.649 -7.144 -4.723 1.00 60.43 H new ATOM 0 HG12 VAL A 37 0.920 -8.758 -4.900 1.00 60.43 H new ATOM 0 HG13 VAL A 37 -0.081 -7.302 -5.111 1.00 60.43 H new ATOM 0 HG21 VAL A 37 1.158 -5.754 -2.748 1.00 61.45 H new ATOM 0 HG22 VAL A 37 -0.597 -5.851 -3.031 1.00 61.45 H new ATOM 0 HG23 VAL A 37 0.081 -6.352 -1.463 1.00 61.45 H new ATOM 614 N SER A 38 -0.098 -10.883 -2.361 1.00 62.33 N ATOM 615 CA SER A 38 0.093 -12.319 -2.649 1.00 54.00 C ATOM 616 C SER A 38 -1.237 -12.988 -3.023 1.00 75.52 C ATOM 617 O SER A 38 -1.304 -13.786 -3.961 1.00 10.45 O ATOM 618 CB SER A 38 0.709 -13.036 -1.436 1.00 14.23 C ATOM 619 OG SER A 38 0.923 -14.417 -1.699 1.00 15.43 O ATOM 0 H SER A 38 0.229 -10.596 -1.439 1.00 62.33 H new ATOM 0 HA SER A 38 0.774 -12.399 -3.496 1.00 54.00 H new ATOM 0 HB2 SER A 38 1.656 -12.563 -1.175 1.00 14.23 H new ATOM 0 HB3 SER A 38 0.050 -12.927 -0.574 1.00 14.23 H new ATOM 0 HG SER A 38 1.317 -14.843 -0.909 1.00 15.43 H new ATOM 625 N SER A 39 -2.294 -12.643 -2.285 1.00 20.41 N ATOM 626 CA SER A 39 -3.648 -13.136 -2.585 1.00 23.54 C ATOM 627 C SER A 39 -4.068 -12.751 -4.009 1.00 33.22 C ATOM 628 O SER A 39 -4.714 -13.528 -4.714 1.00 63.30 O ATOM 629 CB SER A 39 -4.665 -12.574 -1.579 1.00 5.54 C ATOM 630 OG SER A 39 -4.428 -13.062 -0.265 1.00 31.23 O ATOM 0 H SER A 39 -2.243 -12.025 -1.475 1.00 20.41 H new ATOM 0 HA SER A 39 -3.630 -14.223 -2.505 1.00 23.54 H new ATOM 0 HB2 SER A 39 -4.613 -11.485 -1.578 1.00 5.54 H new ATOM 0 HB3 SER A 39 -5.674 -12.844 -1.891 1.00 5.54 H new ATOM 0 HG SER A 39 -5.091 -12.683 0.349 1.00 31.23 H new ATOM 636 N LEU A 40 -3.685 -11.547 -4.428 1.00 0.23 N ATOM 637 CA LEU A 40 -3.987 -11.063 -5.776 1.00 23.25 C ATOM 638 C LEU A 40 -3.229 -11.884 -6.834 1.00 50.23 C ATOM 639 O LEU A 40 -3.826 -12.373 -7.792 1.00 42.12 O ATOM 640 CB LEU A 40 -3.630 -9.576 -5.902 1.00 22.40 C ATOM 641 CG LEU A 40 -4.038 -8.913 -7.230 1.00 43.54 C ATOM 642 CD1 LEU A 40 -5.560 -8.873 -7.370 1.00 64.12 C ATOM 643 CD2 LEU A 40 -3.443 -7.510 -7.337 1.00 4.25 C ATOM 0 H LEU A 40 -3.163 -10.886 -3.853 1.00 0.23 H new ATOM 0 HA LEU A 40 -5.056 -11.183 -5.950 1.00 23.25 H new ATOM 0 HB2 LEU A 40 -4.104 -9.035 -5.084 1.00 22.40 H new ATOM 0 HB3 LEU A 40 -2.553 -9.466 -5.775 1.00 22.40 H new ATOM 0 HG LEU A 40 -3.640 -9.513 -8.048 1.00 43.54 H new ATOM 0 HD11 LEU A 40 -5.826 -8.400 -8.315 1.00 64.12 H new ATOM 0 HD12 LEU A 40 -5.954 -9.889 -7.349 1.00 64.12 H new ATOM 0 HD13 LEU A 40 -5.986 -8.301 -6.546 1.00 64.12 H new ATOM 0 HD21 LEU A 40 -3.743 -7.059 -8.283 1.00 4.25 H new ATOM 0 HD22 LEU A 40 -3.805 -6.897 -6.511 1.00 4.25 H new ATOM 0 HD23 LEU A 40 -2.356 -7.572 -7.293 1.00 4.25 H new ATOM 655 N MET A 41 -1.915 -12.037 -6.649 1.00 5.54 N ATOM 656 CA MET A 41 -1.086 -12.841 -7.566 1.00 42.22 C ATOM 657 C MET A 41 -1.650 -14.260 -7.768 1.00 33.35 C ATOM 658 O MET A 41 -1.649 -14.781 -8.885 1.00 55.25 O ATOM 659 CB MET A 41 0.360 -12.929 -7.052 1.00 3.44 C ATOM 660 CG MET A 41 1.251 -11.741 -7.415 1.00 60.21 C ATOM 661 SD MET A 41 0.631 -10.150 -6.823 1.00 60.53 S ATOM 662 CE MET A 41 -0.362 -9.603 -8.215 1.00 73.43 C ATOM 0 H MET A 41 -1.398 -11.618 -5.876 1.00 5.54 H new ATOM 0 HA MET A 41 -1.100 -12.334 -8.531 1.00 42.22 H new ATOM 0 HB2 MET A 41 0.338 -13.028 -5.967 1.00 3.44 H new ATOM 0 HB3 MET A 41 0.815 -13.838 -7.446 1.00 3.44 H new ATOM 0 HG2 MET A 41 2.247 -11.907 -7.003 1.00 60.21 H new ATOM 0 HG3 MET A 41 1.357 -11.697 -8.499 1.00 60.21 H new ATOM 0 HE1 MET A 41 -0.193 -8.540 -8.387 1.00 73.43 H new ATOM 0 HE2 MET A 41 -0.080 -10.164 -9.106 1.00 73.43 H new ATOM 0 HE3 MET A 41 -1.417 -9.773 -7.998 1.00 73.43 H new ATOM 672 N ALA A 42 -2.138 -14.873 -6.688 1.00 34.12 N ATOM 673 CA ALA A 42 -2.698 -16.232 -6.749 1.00 64.12 C ATOM 674 C ALA A 42 -4.046 -16.277 -7.489 1.00 24.15 C ATOM 675 O ALA A 42 -4.563 -17.352 -7.802 1.00 62.23 O ATOM 676 CB ALA A 42 -2.851 -16.791 -5.339 1.00 63.04 C ATOM 0 H ALA A 42 -2.158 -14.453 -5.759 1.00 34.12 H new ATOM 0 HA ALA A 42 -2.001 -16.849 -7.316 1.00 64.12 H new ATOM 0 HB1 ALA A 42 -3.266 -17.798 -5.390 1.00 63.04 H new ATOM 0 HB2 ALA A 42 -1.876 -16.825 -4.853 1.00 63.04 H new ATOM 0 HB3 ALA A 42 -3.521 -16.151 -4.765 1.00 63.04 H new ATOM 682 N LEU A 43 -4.617 -15.106 -7.749 1.00 10.31 N ATOM 683 CA LEU A 43 -5.902 -14.995 -8.450 1.00 45.11 C ATOM 684 C LEU A 43 -5.748 -14.374 -9.847 1.00 10.40 C ATOM 685 O LEU A 43 -6.607 -14.554 -10.714 1.00 32.10 O ATOM 686 CB LEU A 43 -6.871 -14.170 -7.598 1.00 14.41 C ATOM 687 CG LEU A 43 -7.384 -14.889 -6.340 1.00 75.33 C ATOM 688 CD1 LEU A 43 -8.015 -13.903 -5.363 1.00 15.42 C ATOM 689 CD2 LEU A 43 -8.382 -15.978 -6.731 1.00 64.13 C ATOM 0 H LEU A 43 -4.210 -14.209 -7.484 1.00 10.31 H new ATOM 0 HA LEU A 43 -6.299 -16.000 -8.594 1.00 45.11 H new ATOM 0 HB2 LEU A 43 -6.375 -13.247 -7.297 1.00 14.41 H new ATOM 0 HB3 LEU A 43 -7.725 -13.887 -8.213 1.00 14.41 H new ATOM 0 HG LEU A 43 -6.535 -15.354 -5.838 1.00 75.33 H new ATOM 0 HD11 LEU A 43 -8.369 -14.439 -4.483 1.00 15.42 H new ATOM 0 HD12 LEU A 43 -7.273 -13.163 -5.063 1.00 15.42 H new ATOM 0 HD13 LEU A 43 -8.854 -13.401 -5.844 1.00 15.42 H new ATOM 0 HD21 LEU A 43 -8.740 -16.482 -5.834 1.00 64.13 H new ATOM 0 HD22 LEU A 43 -9.225 -15.528 -7.255 1.00 64.13 H new ATOM 0 HD23 LEU A 43 -7.894 -16.702 -7.383 1.00 64.13 H new ATOM 701 N VAL A 44 -4.661 -13.643 -10.058 1.00 70.41 N ATOM 702 CA VAL A 44 -4.381 -13.019 -11.354 1.00 71.31 C ATOM 703 C VAL A 44 -3.737 -14.013 -12.332 1.00 11.44 C ATOM 704 O VAL A 44 -2.606 -14.462 -12.135 1.00 54.31 O ATOM 705 CB VAL A 44 -3.462 -11.779 -11.203 1.00 34.13 C ATOM 706 CG1 VAL A 44 -3.023 -11.254 -12.571 1.00 34.41 C ATOM 707 CG2 VAL A 44 -4.170 -10.681 -10.410 1.00 21.43 C ATOM 0 H VAL A 44 -3.952 -13.464 -9.347 1.00 70.41 H new ATOM 0 HA VAL A 44 -5.342 -12.699 -11.758 1.00 71.31 H new ATOM 0 HB VAL A 44 -2.570 -12.083 -10.655 1.00 34.13 H new ATOM 0 HG11 VAL A 44 -2.380 -10.384 -12.438 1.00 34.41 H new ATOM 0 HG12 VAL A 44 -2.475 -12.033 -13.101 1.00 34.41 H new ATOM 0 HG13 VAL A 44 -3.901 -10.970 -13.151 1.00 34.41 H new ATOM 0 HG21 VAL A 44 -3.510 -9.819 -10.314 1.00 21.43 H new ATOM 0 HG22 VAL A 44 -5.080 -10.385 -10.931 1.00 21.43 H new ATOM 0 HG23 VAL A 44 -4.425 -11.055 -9.418 1.00 21.43 H new ATOM 865 N MET A 54 -12.216 -17.423 -15.028 1.00 60.40 N ATOM 866 CA MET A 54 -12.264 -16.025 -14.583 1.00 70.32 C ATOM 867 C MET A 54 -13.515 -15.763 -13.725 1.00 4.43 C ATOM 868 O MET A 54 -13.461 -15.037 -12.734 1.00 4.32 O ATOM 869 CB MET A 54 -12.236 -15.076 -15.791 1.00 41.41 C ATOM 870 CG MET A 54 -12.316 -13.599 -15.419 1.00 4.34 C ATOM 871 SD MET A 54 -11.042 -13.117 -14.236 1.00 10.10 S ATOM 872 CE MET A 54 -11.416 -11.376 -14.021 1.00 35.22 C ATOM 0 HA MET A 54 -11.384 -15.835 -13.968 1.00 70.32 H new ATOM 0 HB2 MET A 54 -11.320 -15.249 -16.355 1.00 41.41 H new ATOM 0 HB3 MET A 54 -13.068 -15.320 -16.451 1.00 41.41 H new ATOM 0 HG2 MET A 54 -12.218 -12.994 -16.321 1.00 4.34 H new ATOM 0 HG3 MET A 54 -13.298 -13.386 -14.998 1.00 4.34 H new ATOM 0 HE1 MET A 54 -10.711 -10.937 -13.315 1.00 35.22 H new ATOM 0 HE2 MET A 54 -11.334 -10.865 -14.980 1.00 35.22 H new ATOM 0 HE3 MET A 54 -12.430 -11.266 -13.637 1.00 35.22 H new ATOM 882 N GLU A 55 -14.635 -16.379 -14.102 1.00 50.40 N ATOM 883 CA GLU A 55 -15.884 -16.253 -13.341 1.00 73.24 C ATOM 884 C GLU A 55 -15.708 -16.745 -11.896 1.00 32.41 C ATOM 885 O GLU A 55 -16.137 -16.093 -10.948 1.00 4.31 O ATOM 886 CB GLU A 55 -17.010 -17.035 -14.031 1.00 32.21 C ATOM 887 CG GLU A 55 -18.328 -17.035 -13.259 1.00 62.14 C ATOM 888 CD GLU A 55 -19.385 -17.921 -13.898 1.00 32.02 C ATOM 889 OE1 GLU A 55 -20.151 -17.425 -14.752 1.00 73.22 O ATOM 890 OE2 GLU A 55 -19.459 -19.118 -13.548 1.00 75.25 O ATOM 0 H GLU A 55 -14.706 -16.971 -14.930 1.00 50.40 H new ATOM 0 HA GLU A 55 -16.151 -15.197 -13.309 1.00 73.24 H new ATOM 0 HB2 GLU A 55 -17.180 -16.611 -15.020 1.00 32.21 H new ATOM 0 HB3 GLU A 55 -16.686 -18.065 -14.177 1.00 32.21 H new ATOM 0 HG2 GLU A 55 -18.146 -17.372 -12.239 1.00 62.14 H new ATOM 0 HG3 GLU A 55 -18.706 -16.015 -13.195 1.00 62.14 H new ATOM 897 N ARG A 56 -15.057 -17.893 -11.724 1.00 64.15 N ATOM 898 CA ARG A 56 -14.781 -18.413 -10.376 1.00 51.12 C ATOM 899 C ARG A 56 -13.627 -17.650 -9.698 1.00 62.53 C ATOM 900 O ARG A 56 -13.271 -17.921 -8.551 1.00 12.32 O ATOM 901 CB ARG A 56 -14.499 -19.926 -10.418 1.00 32.04 C ATOM 902 CG ARG A 56 -15.760 -20.773 -10.613 1.00 24.33 C ATOM 903 CD ARG A 56 -16.342 -20.648 -12.022 1.00 34.31 C ATOM 904 NE ARG A 56 -17.786 -20.884 -12.052 1.00 33.04 N ATOM 905 CZ ARG A 56 -18.353 -22.057 -11.976 1.00 32.34 C ATOM 906 NH1 ARG A 56 -17.645 -23.138 -11.878 1.00 3.42 N ATOM 907 NH2 ARG A 56 -19.642 -22.145 -12.000 1.00 73.13 N ATOM 0 H ARG A 56 -14.713 -18.478 -12.485 1.00 64.15 H new ATOM 0 HA ARG A 56 -15.674 -18.252 -9.772 1.00 51.12 H new ATOM 0 HB2 ARG A 56 -13.800 -20.136 -11.228 1.00 32.04 H new ATOM 0 HB3 ARG A 56 -14.010 -20.223 -9.490 1.00 32.04 H new ATOM 0 HG2 ARG A 56 -15.525 -21.818 -10.413 1.00 24.33 H new ATOM 0 HG3 ARG A 56 -16.513 -20.470 -9.885 1.00 24.33 H new ATOM 0 HD2 ARG A 56 -16.131 -19.652 -12.412 1.00 34.31 H new ATOM 0 HD3 ARG A 56 -15.846 -21.360 -12.681 1.00 34.31 H new ATOM 0 HE ARG A 56 -18.395 -20.070 -12.139 1.00 33.04 H new ATOM 0 HH11 ARG A 56 -16.627 -23.081 -11.859 1.00 3.42 H new ATOM 0 HH12 ARG A 56 -18.106 -24.046 -11.820 1.00 3.42 H new ATOM 0 HH21 ARG A 56 -20.209 -21.301 -12.078 1.00 73.13 H new ATOM 0 HH22 ARG A 56 -20.092 -23.058 -11.941 1.00 73.13 H new ATOM 921 N HIS A 57 -13.043 -16.695 -10.421 1.00 53.43 N ATOM 922 CA HIS A 57 -12.061 -15.764 -9.849 1.00 24.43 C ATOM 923 C HIS A 57 -12.703 -14.403 -9.520 1.00 14.15 C ATOM 924 O HIS A 57 -12.224 -13.690 -8.640 1.00 55.52 O ATOM 925 CB HIS A 57 -10.878 -15.557 -10.811 1.00 3.30 C ATOM 926 CG HIS A 57 -9.863 -16.661 -10.785 1.00 10.20 C ATOM 927 ND1 HIS A 57 -8.521 -16.441 -11.006 1.00 2.01 N ATOM 928 CD2 HIS A 57 -9.986 -17.987 -10.545 1.00 53.24 C ATOM 929 CE1 HIS A 57 -7.866 -17.576 -10.904 1.00 74.34 C ATOM 930 NE2 HIS A 57 -8.727 -18.532 -10.622 1.00 71.21 N ATOM 0 H HIS A 57 -13.232 -16.542 -11.412 1.00 53.43 H new ATOM 0 HA HIS A 57 -11.695 -16.208 -8.923 1.00 24.43 H new ATOM 0 HB2 HIS A 57 -11.263 -15.457 -11.826 1.00 3.30 H new ATOM 0 HB3 HIS A 57 -10.383 -14.618 -10.563 1.00 3.30 H new ATOM 0 HD1 HIS A 57 -8.100 -15.536 -11.217 1.00 2.01 H new ATOM 0 HD2 HIS A 57 -10.902 -18.518 -10.333 1.00 53.24 H new ATOM 0 HE1 HIS A 57 -6.801 -17.703 -11.030 1.00 74.34 H new ATOM 939 N ILE A 58 -13.796 -14.063 -10.212 1.00 33.45 N ATOM 940 CA ILE A 58 -14.408 -12.726 -10.112 1.00 61.00 C ATOM 941 C ILE A 58 -14.785 -12.355 -8.660 1.00 44.31 C ATOM 942 O ILE A 58 -14.603 -11.216 -8.237 1.00 0.44 O ATOM 943 CB ILE A 58 -15.657 -12.605 -11.039 1.00 75.53 C ATOM 944 CG1 ILE A 58 -15.952 -11.134 -11.366 1.00 42.41 C ATOM 945 CG2 ILE A 58 -16.887 -13.266 -10.419 1.00 34.23 C ATOM 946 CD1 ILE A 58 -14.923 -10.501 -12.281 1.00 42.23 C ATOM 0 H ILE A 58 -14.279 -14.695 -10.850 1.00 33.45 H new ATOM 0 HA ILE A 58 -13.651 -12.017 -10.446 1.00 61.00 H new ATOM 0 HB ILE A 58 -15.426 -13.132 -11.965 1.00 75.53 H new ATOM 0 HG12 ILE A 58 -16.934 -11.064 -11.833 1.00 42.41 H new ATOM 0 HG13 ILE A 58 -15.999 -10.566 -10.437 1.00 42.41 H new ATOM 0 HG21 ILE A 58 -17.736 -13.161 -11.094 1.00 34.23 H new ATOM 0 HG22 ILE A 58 -16.686 -14.324 -10.251 1.00 34.23 H new ATOM 0 HG23 ILE A 58 -17.118 -12.785 -9.468 1.00 34.23 H new ATOM 0 HD11 ILE A 58 -15.194 -9.462 -12.470 1.00 42.23 H new ATOM 0 HD12 ILE A 58 -13.942 -10.540 -11.807 1.00 42.23 H new ATOM 0 HD13 ILE A 58 -14.892 -11.045 -13.225 1.00 42.23 H new ATOM 958 N ASN A 59 -15.293 -13.322 -7.897 1.00 40.33 N ATOM 959 CA ASN A 59 -15.637 -13.097 -6.485 1.00 34.13 C ATOM 960 C ASN A 59 -14.381 -13.059 -5.596 1.00 43.32 C ATOM 961 O ASN A 59 -14.181 -12.127 -4.811 1.00 43.13 O ATOM 962 CB ASN A 59 -16.585 -14.195 -5.985 1.00 65.45 C ATOM 963 CG ASN A 59 -17.983 -14.087 -6.571 1.00 73.23 C ATOM 964 OD1 ASN A 59 -18.181 -13.596 -7.677 1.00 5.21 O ATOM 965 ND2 ASN A 59 -18.968 -14.544 -5.831 1.00 75.21 N ATOM 0 H ASN A 59 -15.477 -14.269 -8.228 1.00 40.33 H new ATOM 0 HA ASN A 59 -16.133 -12.128 -6.420 1.00 34.13 H new ATOM 0 HB2 ASN A 59 -16.167 -15.170 -6.236 1.00 65.45 H new ATOM 0 HB3 ASN A 59 -16.648 -14.145 -4.898 1.00 65.45 H new ATOM 0 HD21 ASN A 59 -19.928 -14.496 -6.173 1.00 75.21 H new ATOM 0 HD22 ASN A 59 -18.773 -14.947 -4.915 1.00 75.21 H new ATOM 972 N GLU A 60 -13.540 -14.084 -5.734 1.00 52.14 N ATOM 973 CA GLU A 60 -12.318 -14.221 -4.929 1.00 31.43 C ATOM 974 C GLU A 60 -11.379 -13.013 -5.078 1.00 42.44 C ATOM 975 O GLU A 60 -10.792 -12.546 -4.098 1.00 25.11 O ATOM 976 CB GLU A 60 -11.572 -15.501 -5.335 1.00 21.21 C ATOM 977 CG GLU A 60 -12.297 -16.790 -4.964 1.00 10.34 C ATOM 978 CD GLU A 60 -12.301 -17.046 -3.464 1.00 22.33 C ATOM 979 OE1 GLU A 60 -11.293 -17.570 -2.945 1.00 34.01 O ATOM 980 OE2 GLU A 60 -13.302 -16.711 -2.794 1.00 12.23 O ATOM 0 H GLU A 60 -13.682 -14.841 -6.402 1.00 52.14 H new ATOM 0 HA GLU A 60 -12.623 -14.274 -3.884 1.00 31.43 H new ATOM 0 HB2 GLU A 60 -11.408 -15.487 -6.413 1.00 21.21 H new ATOM 0 HB3 GLU A 60 -10.589 -15.501 -4.863 1.00 21.21 H new ATOM 0 HG2 GLU A 60 -13.325 -16.741 -5.324 1.00 10.34 H new ATOM 0 HG3 GLU A 60 -11.821 -17.629 -5.471 1.00 10.34 H new ATOM 987 N ILE A 61 -11.237 -12.515 -6.304 1.00 74.13 N ATOM 988 CA ILE A 61 -10.317 -11.407 -6.584 1.00 72.21 C ATOM 989 C ILE A 61 -10.768 -10.107 -5.901 1.00 54.21 C ATOM 990 O ILE A 61 -9.939 -9.304 -5.483 1.00 14.50 O ATOM 991 CB ILE A 61 -10.140 -11.179 -8.111 1.00 52.01 C ATOM 992 CG1 ILE A 61 -9.016 -10.163 -8.387 1.00 70.43 C ATOM 993 CG2 ILE A 61 -11.450 -10.723 -8.750 1.00 54.14 C ATOM 994 CD1 ILE A 61 -8.674 -10.016 -9.858 1.00 25.03 C ATOM 0 H ILE A 61 -11.744 -12.858 -7.120 1.00 74.13 H new ATOM 0 HA ILE A 61 -9.351 -11.692 -6.168 1.00 72.21 H new ATOM 0 HB ILE A 61 -9.857 -12.130 -8.562 1.00 52.01 H new ATOM 0 HG12 ILE A 61 -9.312 -9.191 -7.993 1.00 70.43 H new ATOM 0 HG13 ILE A 61 -8.121 -10.468 -7.844 1.00 70.43 H new ATOM 0 HG21 ILE A 61 -11.300 -10.570 -9.819 1.00 54.14 H new ATOM 0 HG22 ILE A 61 -12.214 -11.485 -8.596 1.00 54.14 H new ATOM 0 HG23 ILE A 61 -11.772 -9.788 -8.292 1.00 54.14 H new ATOM 0 HD11 ILE A 61 -7.875 -9.284 -9.974 1.00 25.03 H new ATOM 0 HD12 ILE A 61 -8.346 -10.977 -10.253 1.00 25.03 H new ATOM 0 HD13 ILE A 61 -9.555 -9.681 -10.405 1.00 25.03 H new ATOM 1006 N ARG A 62 -12.081 -9.918 -5.767 1.00 13.43 N ATOM 1007 CA ARG A 62 -12.625 -8.749 -5.060 1.00 72.24 C ATOM 1008 C ARG A 62 -12.125 -8.712 -3.607 1.00 14.42 C ATOM 1009 O ARG A 62 -11.773 -7.652 -3.084 1.00 43.11 O ATOM 1010 CB ARG A 62 -14.161 -8.770 -5.093 1.00 22.25 C ATOM 1011 CG ARG A 62 -14.744 -8.695 -6.501 1.00 54.51 C ATOM 1012 CD ARG A 62 -16.266 -8.795 -6.490 1.00 20.42 C ATOM 1013 NE ARG A 62 -16.887 -7.704 -5.741 1.00 70.11 N ATOM 1014 CZ ARG A 62 -17.840 -7.866 -4.862 1.00 44.22 C ATOM 1015 NH1 ARG A 62 -18.291 -9.045 -4.584 1.00 25.31 N ATOM 1016 NH2 ARG A 62 -18.343 -6.841 -4.257 1.00 12.03 N ATOM 0 H ARG A 62 -12.788 -10.554 -6.136 1.00 13.43 H new ATOM 0 HA ARG A 62 -12.276 -7.850 -5.568 1.00 72.24 H new ATOM 0 HB2 ARG A 62 -14.514 -9.682 -4.611 1.00 22.25 H new ATOM 0 HB3 ARG A 62 -14.540 -7.933 -4.507 1.00 22.25 H new ATOM 0 HG2 ARG A 62 -14.445 -7.757 -6.969 1.00 54.51 H new ATOM 0 HG3 ARG A 62 -14.331 -9.500 -7.109 1.00 54.51 H new ATOM 0 HD2 ARG A 62 -16.636 -8.786 -7.515 1.00 20.42 H new ATOM 0 HD3 ARG A 62 -16.562 -9.748 -6.052 1.00 20.42 H new ATOM 0 HE ARG A 62 -16.555 -6.755 -5.916 1.00 70.11 H new ATOM 0 HH11 ARG A 62 -17.903 -9.863 -5.053 1.00 25.31 H new ATOM 0 HH12 ARG A 62 -19.035 -9.157 -3.896 1.00 25.31 H new ATOM 0 HH21 ARG A 62 -17.996 -5.905 -4.466 1.00 12.03 H new ATOM 0 HH22 ARG A 62 -19.087 -6.968 -3.571 1.00 12.03 H new ATOM 1030 N THR A 63 -12.092 -9.883 -2.967 1.00 12.33 N ATOM 1031 CA THR A 63 -11.524 -10.018 -1.616 1.00 21.35 C ATOM 1032 C THR A 63 -10.040 -9.629 -1.602 1.00 31.52 C ATOM 1033 O THR A 63 -9.597 -8.854 -0.756 1.00 73.44 O ATOM 1034 CB THR A 63 -11.665 -11.469 -1.080 1.00 5.21 C ATOM 1035 OG1 THR A 63 -13.054 -11.823 -0.966 1.00 21.12 O ATOM 1036 CG2 THR A 63 -10.985 -11.638 0.279 1.00 74.23 C ATOM 0 H THR A 63 -12.451 -10.754 -3.359 1.00 12.33 H new ATOM 0 HA THR A 63 -12.086 -9.343 -0.970 1.00 21.35 H new ATOM 0 HB THR A 63 -11.172 -12.130 -1.793 1.00 5.21 H new ATOM 0 HG1 THR A 63 -13.131 -12.740 -0.629 1.00 21.12 H new ATOM 0 HG21 THR A 63 -11.105 -12.666 0.621 1.00 74.23 H new ATOM 0 HG22 THR A 63 -9.924 -11.408 0.186 1.00 74.23 H new ATOM 0 HG23 THR A 63 -11.441 -10.960 1.001 1.00 74.23 H new ATOM 1044 N ALA A 64 -9.277 -10.172 -2.552 1.00 53.01 N ATOM 1045 CA ALA A 64 -7.845 -9.868 -2.669 1.00 53.11 C ATOM 1046 C ALA A 64 -7.600 -8.362 -2.858 1.00 61.12 C ATOM 1047 O ALA A 64 -6.737 -7.781 -2.206 1.00 2.32 O ATOM 1048 CB ALA A 64 -7.233 -10.655 -3.822 1.00 45.25 C ATOM 0 H ALA A 64 -9.625 -10.826 -3.254 1.00 53.01 H new ATOM 0 HA ALA A 64 -7.363 -10.166 -1.738 1.00 53.11 H new ATOM 0 HB1 ALA A 64 -6.171 -10.421 -3.899 1.00 45.25 H new ATOM 0 HB2 ALA A 64 -7.357 -11.723 -3.640 1.00 45.25 H new ATOM 0 HB3 ALA A 64 -7.732 -10.385 -4.752 1.00 45.25 H new ATOM 1054 N VAL A 65 -8.367 -7.740 -3.755 1.00 60.10 N ATOM 1055 CA VAL A 65 -8.304 -6.286 -3.965 1.00 34.41 C ATOM 1056 C VAL A 65 -8.513 -5.530 -2.643 1.00 73.00 C ATOM 1057 O VAL A 65 -7.747 -4.626 -2.296 1.00 4.13 O ATOM 1058 CB VAL A 65 -9.369 -5.826 -4.999 1.00 11.42 C ATOM 1059 CG1 VAL A 65 -9.422 -4.302 -5.101 1.00 54.21 C ATOM 1060 CG2 VAL A 65 -9.091 -6.446 -6.367 1.00 64.40 C ATOM 0 H VAL A 65 -9.042 -8.219 -4.351 1.00 60.10 H new ATOM 0 HA VAL A 65 -7.312 -6.055 -4.353 1.00 34.41 H new ATOM 0 HB VAL A 65 -10.343 -6.171 -4.652 1.00 11.42 H new ATOM 0 HG11 VAL A 65 -10.177 -4.012 -5.832 1.00 54.21 H new ATOM 0 HG12 VAL A 65 -9.678 -3.881 -4.129 1.00 54.21 H new ATOM 0 HG13 VAL A 65 -8.449 -3.924 -5.415 1.00 54.21 H new ATOM 0 HG21 VAL A 65 -9.847 -6.113 -7.078 1.00 64.40 H new ATOM 0 HG22 VAL A 65 -8.105 -6.136 -6.713 1.00 64.40 H new ATOM 0 HG23 VAL A 65 -9.122 -7.533 -6.287 1.00 64.40 H new ATOM 1070 N ASP A 66 -9.550 -5.926 -1.906 1.00 64.14 N ATOM 1071 CA ASP A 66 -9.833 -5.369 -0.582 1.00 71.32 C ATOM 1072 C ASP A 66 -8.623 -5.534 0.362 1.00 23.25 C ATOM 1073 O ASP A 66 -8.289 -4.625 1.123 1.00 22.54 O ATOM 1074 CB ASP A 66 -11.081 -6.051 -0.001 1.00 13.24 C ATOM 1075 CG ASP A 66 -11.418 -5.595 1.408 1.00 53.33 C ATOM 1076 OD1 ASP A 66 -11.698 -4.394 1.601 1.00 73.12 O ATOM 1077 OD2 ASP A 66 -11.434 -6.445 2.326 1.00 23.53 O ATOM 0 H ASP A 66 -10.215 -6.638 -2.207 1.00 64.14 H new ATOM 0 HA ASP A 66 -10.022 -4.300 -0.680 1.00 71.32 H new ATOM 0 HB2 ASP A 66 -11.932 -5.851 -0.653 1.00 13.24 H new ATOM 0 HB3 ASP A 66 -10.928 -7.130 0.001 1.00 13.24 H new ATOM 1082 N LYS A 67 -7.963 -6.693 0.293 1.00 11.02 N ATOM 1083 CA LYS A 67 -6.768 -6.959 1.107 1.00 25.22 C ATOM 1084 C LYS A 67 -5.602 -6.041 0.706 1.00 31.41 C ATOM 1085 O LYS A 67 -4.935 -5.459 1.566 1.00 44.52 O ATOM 1086 CB LYS A 67 -6.336 -8.430 0.970 1.00 24.41 C ATOM 1087 CG LYS A 67 -7.421 -9.466 1.291 1.00 14.04 C ATOM 1088 CD LYS A 67 -7.763 -9.558 2.786 1.00 52.24 C ATOM 1089 CE LYS A 67 -8.721 -8.460 3.252 1.00 41.10 C ATOM 1090 NZ LYS A 67 -9.112 -8.630 4.677 1.00 51.34 N ATOM 0 H LYS A 67 -8.234 -7.464 -0.317 1.00 11.02 H new ATOM 0 HA LYS A 67 -7.028 -6.755 2.146 1.00 25.22 H new ATOM 0 HB2 LYS A 67 -5.989 -8.596 -0.050 1.00 24.41 H new ATOM 0 HB3 LYS A 67 -5.485 -8.604 1.628 1.00 24.41 H new ATOM 0 HG2 LYS A 67 -8.325 -9.217 0.735 1.00 14.04 H new ATOM 0 HG3 LYS A 67 -7.092 -10.445 0.942 1.00 14.04 H new ATOM 0 HD2 LYS A 67 -8.208 -10.531 2.991 1.00 52.24 H new ATOM 0 HD3 LYS A 67 -6.843 -9.500 3.367 1.00 52.24 H new ATOM 0 HE2 LYS A 67 -8.249 -7.487 3.119 1.00 41.10 H new ATOM 0 HE3 LYS A 67 -9.614 -8.469 2.627 1.00 41.10 H new ATOM 0 HZ1 LYS A 67 -9.761 -7.866 4.952 1.00 51.34 H new ATOM 0 HZ2 LYS A 67 -9.586 -9.548 4.800 1.00 51.34 H new ATOM 0 HZ3 LYS A 67 -8.263 -8.596 5.276 1.00 51.34 H new ATOM 1104 N VAL A 68 -5.364 -5.914 -0.603 1.00 45.44 N ATOM 1105 CA VAL A 68 -4.276 -5.072 -1.121 1.00 54.01 C ATOM 1106 C VAL A 68 -4.378 -3.636 -0.584 1.00 54.12 C ATOM 1107 O VAL A 68 -3.430 -3.112 0.007 1.00 3.20 O ATOM 1108 CB VAL A 68 -4.258 -5.039 -2.677 1.00 20.14 C ATOM 1109 CG1 VAL A 68 -3.149 -4.117 -3.197 1.00 60.35 C ATOM 1110 CG2 VAL A 68 -4.094 -6.449 -3.246 1.00 20.23 C ATOM 0 H VAL A 68 -5.910 -6.383 -1.326 1.00 45.44 H new ATOM 0 HA VAL A 68 -3.346 -5.520 -0.772 1.00 54.01 H new ATOM 0 HB VAL A 68 -5.215 -4.640 -3.014 1.00 20.14 H new ATOM 0 HG11 VAL A 68 -3.160 -4.113 -4.287 1.00 60.35 H new ATOM 0 HG12 VAL A 68 -3.315 -3.105 -2.829 1.00 60.35 H new ATOM 0 HG13 VAL A 68 -2.182 -4.477 -2.845 1.00 60.35 H new ATOM 0 HG21 VAL A 68 -4.084 -6.403 -4.335 1.00 20.23 H new ATOM 0 HG22 VAL A 68 -3.156 -6.877 -2.892 1.00 20.23 H new ATOM 0 HG23 VAL A 68 -4.925 -7.073 -2.917 1.00 20.23 H new ATOM 1120 N GLU A 69 -5.536 -3.005 -0.778 1.00 14.44 N ATOM 1121 CA GLU A 69 -5.748 -1.640 -0.291 1.00 61.44 C ATOM 1122 C GLU A 69 -5.891 -1.582 1.242 1.00 53.42 C ATOM 1123 O GLU A 69 -5.599 -0.555 1.855 1.00 61.34 O ATOM 1124 CB GLU A 69 -6.965 -0.994 -0.970 1.00 41.52 C ATOM 1125 CG GLU A 69 -6.714 -0.598 -2.427 1.00 24.30 C ATOM 1126 CD GLU A 69 -7.698 0.449 -2.929 1.00 54.45 C ATOM 1127 OE1 GLU A 69 -7.602 1.616 -2.477 1.00 55.00 O ATOM 1128 OE2 GLU A 69 -8.573 0.119 -3.752 1.00 51.44 O ATOM 0 H GLU A 69 -6.335 -3.411 -1.264 1.00 14.44 H new ATOM 0 HA GLU A 69 -4.857 -1.070 -0.556 1.00 61.44 H new ATOM 0 HB2 GLU A 69 -7.804 -1.689 -0.930 1.00 41.52 H new ATOM 0 HB3 GLU A 69 -7.257 -0.108 -0.406 1.00 41.52 H new ATOM 0 HG2 GLU A 69 -5.699 -0.213 -2.525 1.00 24.30 H new ATOM 0 HG3 GLU A 69 -6.781 -1.485 -3.057 1.00 24.30 H new ATOM 1135 N LEU A 70 -6.333 -2.682 1.862 1.00 54.12 N ATOM 1136 CA LEU A 70 -6.456 -2.747 3.328 1.00 70.44 C ATOM 1137 C LEU A 70 -5.102 -2.535 4.018 1.00 43.23 C ATOM 1138 O LEU A 70 -4.914 -1.567 4.757 1.00 41.24 O ATOM 1139 CB LEU A 70 -7.042 -4.096 3.768 1.00 10.24 C ATOM 1140 CG LEU A 70 -7.110 -4.317 5.290 1.00 63.40 C ATOM 1141 CD1 LEU A 70 -8.077 -3.329 5.945 1.00 3.04 C ATOM 1142 CD2 LEU A 70 -7.501 -5.757 5.610 1.00 41.13 C ATOM 0 H LEU A 70 -6.611 -3.536 1.378 1.00 54.12 H new ATOM 0 HA LEU A 70 -7.130 -1.944 3.627 1.00 70.44 H new ATOM 0 HB2 LEU A 70 -8.048 -4.188 3.359 1.00 10.24 H new ATOM 0 HB3 LEU A 70 -6.445 -4.894 3.328 1.00 10.24 H new ATOM 0 HG LEU A 70 -6.117 -4.136 5.702 1.00 63.40 H new ATOM 0 HD11 LEU A 70 -8.106 -3.507 7.020 1.00 3.04 H new ATOM 0 HD12 LEU A 70 -7.740 -2.310 5.755 1.00 3.04 H new ATOM 0 HD13 LEU A 70 -9.075 -3.465 5.527 1.00 3.04 H new ATOM 0 HD21 LEU A 70 -7.543 -5.891 6.691 1.00 41.13 H new ATOM 0 HD22 LEU A 70 -8.479 -5.973 5.179 1.00 41.13 H new ATOM 0 HD23 LEU A 70 -6.761 -6.437 5.189 1.00 41.13 H new ATOM 1154 N PHE A 71 -4.160 -3.442 3.763 1.00 72.21 N ATOM 1155 CA PHE A 71 -2.831 -3.361 4.377 1.00 21.54 C ATOM 1156 C PHE A 71 -2.100 -2.087 3.933 1.00 34.51 C ATOM 1157 O PHE A 71 -1.350 -1.488 4.702 1.00 40.11 O ATOM 1158 CB PHE A 71 -2.002 -4.605 4.030 1.00 71.14 C ATOM 1159 CG PHE A 71 -2.625 -5.897 4.498 1.00 32.11 C ATOM 1160 CD1 PHE A 71 -2.635 -6.228 5.845 1.00 52.42 C ATOM 1161 CD2 PHE A 71 -3.194 -6.781 3.593 1.00 51.34 C ATOM 1162 CE1 PHE A 71 -3.204 -7.411 6.277 1.00 43.22 C ATOM 1163 CE2 PHE A 71 -3.761 -7.964 4.020 1.00 51.24 C ATOM 1164 CZ PHE A 71 -3.765 -8.280 5.364 1.00 41.14 C ATOM 0 H PHE A 71 -4.289 -4.238 3.139 1.00 72.21 H new ATOM 0 HA PHE A 71 -2.959 -3.320 5.459 1.00 21.54 H new ATOM 0 HB2 PHE A 71 -1.863 -4.649 2.950 1.00 71.14 H new ATOM 0 HB3 PHE A 71 -1.012 -4.507 4.475 1.00 71.14 H new ATOM 0 HD1 PHE A 71 -2.193 -5.554 6.564 1.00 52.42 H new ATOM 0 HD2 PHE A 71 -3.193 -6.540 2.540 1.00 51.34 H new ATOM 0 HE1 PHE A 71 -3.210 -7.655 7.329 1.00 43.22 H new ATOM 0 HE2 PHE A 71 -4.201 -8.642 3.304 1.00 51.24 H new ATOM 0 HZ PHE A 71 -4.207 -9.206 5.700 1.00 41.14 H new ATOM 1174 N LEU A 72 -2.338 -1.678 2.688 1.00 3.55 N ATOM 1175 CA LEU A 72 -1.816 -0.411 2.167 1.00 70.02 C ATOM 1176 C LEU A 72 -2.361 0.782 2.982 1.00 32.10 C ATOM 1177 O LEU A 72 -1.627 1.717 3.305 1.00 61.23 O ATOM 1178 CB LEU A 72 -2.180 -0.294 0.666 1.00 75.52 C ATOM 1179 CG LEU A 72 -1.765 1.000 -0.068 1.00 71.32 C ATOM 1180 CD1 LEU A 72 -2.762 2.124 0.193 1.00 65.44 C ATOM 1181 CD2 LEU A 72 -0.348 1.414 0.325 1.00 3.02 C ATOM 0 H LEU A 72 -2.892 -2.208 2.016 1.00 3.55 H new ATOM 0 HA LEU A 72 -0.731 -0.392 2.266 1.00 70.02 H new ATOM 0 HB2 LEU A 72 -1.728 -1.137 0.143 1.00 75.52 H new ATOM 0 HB3 LEU A 72 -3.261 -0.403 0.572 1.00 75.52 H new ATOM 0 HG LEU A 72 -1.771 0.798 -1.139 1.00 71.32 H new ATOM 0 HD11 LEU A 72 -2.444 3.022 -0.336 1.00 65.44 H new ATOM 0 HD12 LEU A 72 -3.749 1.825 -0.160 1.00 65.44 H new ATOM 0 HD13 LEU A 72 -2.807 2.330 1.262 1.00 65.44 H new ATOM 0 HD21 LEU A 72 -0.076 2.328 -0.204 1.00 3.02 H new ATOM 0 HD22 LEU A 72 -0.305 1.590 1.400 1.00 3.02 H new ATOM 0 HD23 LEU A 72 0.350 0.620 0.060 1.00 3.02 H new ATOM 1193 N LYS A 73 -3.645 0.729 3.326 1.00 11.23 N ATOM 1194 CA LYS A 73 -4.291 1.802 4.091 1.00 20.42 C ATOM 1195 C LYS A 73 -3.734 1.860 5.521 1.00 43.32 C ATOM 1196 O LYS A 73 -3.468 2.939 6.059 1.00 13.02 O ATOM 1197 CB LYS A 73 -5.818 1.585 4.082 1.00 52.54 C ATOM 1198 CG LYS A 73 -6.623 2.531 4.983 1.00 71.24 C ATOM 1199 CD LYS A 73 -6.912 1.919 6.357 1.00 22.13 C ATOM 1200 CE LYS A 73 -7.683 0.605 6.240 1.00 10.52 C ATOM 1201 NZ LYS A 73 -8.962 0.767 5.498 1.00 43.41 N ATOM 0 H LYS A 73 -4.264 -0.046 3.088 1.00 11.23 H new ATOM 0 HA LYS A 73 -4.075 2.764 3.625 1.00 20.42 H new ATOM 0 HB2 LYS A 73 -6.177 1.692 3.058 1.00 52.54 H new ATOM 0 HB3 LYS A 73 -6.024 0.559 4.386 1.00 52.54 H new ATOM 0 HG2 LYS A 73 -6.073 3.463 5.111 1.00 71.24 H new ATOM 0 HG3 LYS A 73 -7.564 2.782 4.494 1.00 71.24 H new ATOM 0 HD2 LYS A 73 -5.973 1.744 6.882 1.00 22.13 H new ATOM 0 HD3 LYS A 73 -7.486 2.626 6.957 1.00 22.13 H new ATOM 0 HE2 LYS A 73 -7.062 -0.134 5.734 1.00 10.52 H new ATOM 0 HE3 LYS A 73 -7.890 0.218 7.237 1.00 10.52 H new ATOM 0 HZ1 LYS A 73 -9.520 -0.107 5.574 1.00 43.41 H new ATOM 0 HZ2 LYS A 73 -9.501 1.559 5.904 1.00 43.41 H new ATOM 0 HZ3 LYS A 73 -8.760 0.963 4.497 1.00 43.41 H new ATOM 1215 N GLU A 74 -3.555 0.688 6.119 1.00 11.05 N ATOM 1216 CA GLU A 74 -2.920 0.564 7.433 1.00 54.42 C ATOM 1217 C GLU A 74 -1.479 1.099 7.392 1.00 60.52 C ATOM 1218 O GLU A 74 -1.027 1.796 8.302 1.00 12.32 O ATOM 1219 CB GLU A 74 -2.915 -0.910 7.857 1.00 71.44 C ATOM 1220 CG GLU A 74 -4.302 -1.548 7.907 1.00 23.53 C ATOM 1221 CD GLU A 74 -5.087 -1.163 9.152 1.00 53.21 C ATOM 1222 OE1 GLU A 74 -5.761 -0.113 9.142 1.00 23.04 O ATOM 1223 OE2 GLU A 74 -5.028 -1.912 10.154 1.00 44.34 O ATOM 0 H GLU A 74 -3.843 -0.202 5.712 1.00 11.05 H new ATOM 0 HA GLU A 74 -3.485 1.153 8.155 1.00 54.42 H new ATOM 0 HB2 GLU A 74 -2.292 -1.475 7.164 1.00 71.44 H new ATOM 0 HB3 GLU A 74 -2.453 -0.993 8.841 1.00 71.44 H new ATOM 0 HG2 GLU A 74 -4.865 -1.251 7.022 1.00 23.53 H new ATOM 0 HG3 GLU A 74 -4.199 -2.632 7.870 1.00 23.53 H new ATOM 1230 N TYR A 75 -0.770 0.757 6.317 1.00 3.32 N ATOM 1231 CA TYR A 75 0.617 1.186 6.111 1.00 0.24 C ATOM 1232 C TYR A 75 0.727 2.716 5.975 1.00 2.12 C ATOM 1233 O TYR A 75 1.575 3.347 6.612 1.00 74.22 O ATOM 1234 CB TYR A 75 1.178 0.498 4.857 1.00 4.23 C ATOM 1235 CG TYR A 75 2.634 0.816 4.563 1.00 32.41 C ATOM 1236 CD1 TYR A 75 3.656 0.249 5.318 1.00 44.43 C ATOM 1237 CD2 TYR A 75 2.987 1.682 3.531 1.00 41.33 C ATOM 1238 CE1 TYR A 75 4.982 0.533 5.052 1.00 12.02 C ATOM 1239 CE2 TYR A 75 4.313 1.970 3.261 1.00 0.32 C ATOM 1240 CZ TYR A 75 5.305 1.393 4.025 1.00 75.32 C ATOM 1241 OH TYR A 75 6.624 1.686 3.766 1.00 74.04 O ATOM 0 H TYR A 75 -1.138 0.176 5.564 1.00 3.32 H new ATOM 0 HA TYR A 75 1.200 0.896 6.985 1.00 0.24 H new ATOM 0 HB2 TYR A 75 1.071 -0.581 4.971 1.00 4.23 H new ATOM 0 HB3 TYR A 75 0.575 0.789 3.997 1.00 4.23 H new ATOM 0 HD1 TYR A 75 3.409 -0.424 6.125 1.00 44.43 H new ATOM 0 HD2 TYR A 75 2.212 2.137 2.931 1.00 41.33 H new ATOM 0 HE1 TYR A 75 5.763 0.082 5.647 1.00 12.02 H new ATOM 0 HE2 TYR A 75 4.570 2.643 2.456 1.00 0.32 H new ATOM 0 HH TYR A 75 7.194 0.977 4.130 1.00 74.04 H new ATOM 1251 N LEU A 76 -0.138 3.309 5.150 1.00 14.34 N ATOM 1252 CA LEU A 76 -0.116 4.757 4.908 1.00 22.13 C ATOM 1253 C LEU A 76 -0.322 5.567 6.199 1.00 60.33 C ATOM 1254 O LEU A 76 0.366 6.560 6.418 1.00 35.32 O ATOM 1255 CB LEU A 76 -1.160 5.154 3.849 1.00 71.34 C ATOM 1256 CG LEU A 76 -0.836 4.691 2.416 1.00 24.51 C ATOM 1257 CD1 LEU A 76 -1.940 5.100 1.442 1.00 50.11 C ATOM 1258 CD2 LEU A 76 0.511 5.250 1.961 1.00 25.20 C ATOM 0 H LEU A 76 -0.864 2.810 4.636 1.00 14.34 H new ATOM 0 HA LEU A 76 0.877 4.999 4.528 1.00 22.13 H new ATOM 0 HB2 LEU A 76 -2.126 4.741 4.139 1.00 71.34 H new ATOM 0 HB3 LEU A 76 -1.264 6.239 3.850 1.00 71.34 H new ATOM 0 HG LEU A 76 -0.776 3.603 2.422 1.00 24.51 H new ATOM 0 HD11 LEU A 76 -1.684 4.760 0.438 1.00 50.11 H new ATOM 0 HD12 LEU A 76 -2.883 4.647 1.749 1.00 50.11 H new ATOM 0 HD13 LEU A 76 -2.042 6.185 1.442 1.00 50.11 H new ATOM 0 HD21 LEU A 76 0.721 4.911 0.947 1.00 25.20 H new ATOM 0 HD22 LEU A 76 0.478 6.339 1.981 1.00 25.20 H new ATOM 0 HD23 LEU A 76 1.296 4.899 2.631 1.00 25.20 H new ATOM 1270 N HIS A 77 -1.251 5.141 7.057 1.00 61.34 N ATOM 1271 CA HIS A 77 -1.484 5.841 8.334 1.00 1.35 C ATOM 1272 C HIS A 77 -0.224 5.839 9.218 1.00 75.24 C ATOM 1273 O HIS A 77 -0.005 6.761 10.006 1.00 25.10 O ATOM 1274 CB HIS A 77 -2.663 5.209 9.095 1.00 54.45 C ATOM 1275 CG HIS A 77 -2.961 5.873 10.414 1.00 53.13 C ATOM 1276 ND1 HIS A 77 -3.053 5.183 11.604 1.00 23.24 N ATOM 1277 CD2 HIS A 77 -3.200 7.173 10.722 1.00 71.14 C ATOM 1278 CE1 HIS A 77 -3.329 6.022 12.581 1.00 21.54 C ATOM 1279 NE2 HIS A 77 -3.423 7.236 12.078 1.00 34.44 N ATOM 0 H HIS A 77 -1.848 4.329 6.901 1.00 61.34 H new ATOM 0 HA HIS A 77 -1.730 6.876 8.097 1.00 1.35 H new ATOM 0 HB2 HIS A 77 -3.553 5.252 8.468 1.00 54.45 H new ATOM 0 HB3 HIS A 77 -2.447 4.155 9.270 1.00 54.45 H new ATOM 0 HD2 HIS A 77 -3.213 8.003 10.031 1.00 71.14 H new ATOM 0 HE1 HIS A 77 -3.457 5.759 13.621 1.00 21.54 H new ATOM 0 HE2 HIS A 77 -3.628 8.084 12.607 1.00 34.44 H new ATOM 1288 N PHE A 78 0.601 4.805 9.080 1.00 12.40 N ATOM 1289 CA PHE A 78 1.837 4.693 9.859 1.00 54.00 C ATOM 1290 C PHE A 78 2.936 5.605 9.283 1.00 5.41 C ATOM 1291 O PHE A 78 3.526 6.417 10.002 1.00 43.31 O ATOM 1292 CB PHE A 78 2.310 3.231 9.877 1.00 11.50 C ATOM 1293 CG PHE A 78 3.380 2.939 10.909 1.00 14.00 C ATOM 1294 CD1 PHE A 78 4.725 3.126 10.619 1.00 3.34 C ATOM 1295 CD2 PHE A 78 3.032 2.473 12.171 1.00 14.13 C ATOM 1296 CE1 PHE A 78 5.698 2.856 11.566 1.00 63.03 C ATOM 1297 CE2 PHE A 78 4.001 2.203 13.120 1.00 53.35 C ATOM 1298 CZ PHE A 78 5.335 2.393 12.817 1.00 5.25 C ATOM 0 H PHE A 78 0.439 4.031 8.436 1.00 12.40 H new ATOM 0 HA PHE A 78 1.634 5.016 10.880 1.00 54.00 H new ATOM 0 HB2 PHE A 78 1.452 2.585 10.066 1.00 11.50 H new ATOM 0 HB3 PHE A 78 2.692 2.972 8.890 1.00 11.50 H new ATOM 0 HD1 PHE A 78 5.015 3.486 9.643 1.00 3.34 H new ATOM 0 HD2 PHE A 78 1.991 2.320 12.414 1.00 14.13 H new ATOM 0 HE1 PHE A 78 6.740 3.007 11.328 1.00 63.03 H new ATOM 0 HE2 PHE A 78 3.715 1.844 14.097 1.00 53.35 H new ATOM 0 HZ PHE A 78 6.093 2.180 13.556 1.00 5.25 H new ATOM 1308 N VAL A 79 3.203 5.472 7.983 1.00 1.12 N ATOM 1309 CA VAL A 79 4.250 6.267 7.327 1.00 11.43 C ATOM 1310 C VAL A 79 3.932 7.776 7.344 1.00 34.30 C ATOM 1311 O VAL A 79 4.820 8.595 7.584 1.00 25.12 O ATOM 1312 CB VAL A 79 4.501 5.798 5.872 1.00 73.41 C ATOM 1313 CG1 VAL A 79 4.998 4.354 5.857 1.00 44.14 C ATOM 1314 CG2 VAL A 79 3.243 5.942 5.023 1.00 41.25 C ATOM 0 H VAL A 79 2.714 4.826 7.364 1.00 1.12 H new ATOM 0 HA VAL A 79 5.159 6.105 7.906 1.00 11.43 H new ATOM 0 HB VAL A 79 5.271 6.436 5.439 1.00 73.41 H new ATOM 0 HG11 VAL A 79 5.170 4.039 4.828 1.00 44.14 H new ATOM 0 HG12 VAL A 79 5.930 4.284 6.418 1.00 44.14 H new ATOM 0 HG13 VAL A 79 4.250 3.707 6.314 1.00 44.14 H new ATOM 0 HG21 VAL A 79 3.449 5.605 4.007 1.00 41.25 H new ATOM 0 HG22 VAL A 79 2.444 5.336 5.451 1.00 41.25 H new ATOM 0 HG23 VAL A 79 2.935 6.987 5.003 1.00 41.25 H new ATOM 1324 N LYS A 80 2.667 8.139 7.104 1.00 63.14 N ATOM 1325 CA LYS A 80 2.229 9.543 7.202 1.00 14.41 C ATOM 1326 C LYS A 80 2.482 10.089 8.613 1.00 11.32 C ATOM 1327 O LYS A 80 2.912 11.233 8.787 1.00 33.24 O ATOM 1328 CB LYS A 80 0.738 9.675 6.856 1.00 54.44 C ATOM 1329 CG LYS A 80 0.409 9.425 5.388 1.00 35.31 C ATOM 1330 CD LYS A 80 -1.098 9.393 5.157 1.00 41.15 C ATOM 1331 CE LYS A 80 -1.448 9.290 3.679 1.00 65.33 C ATOM 1332 NZ LYS A 80 -1.094 10.530 2.940 1.00 30.34 N ATOM 0 H LYS A 80 1.929 7.486 6.841 1.00 63.14 H new ATOM 0 HA LYS A 80 2.809 10.125 6.486 1.00 14.41 H new ATOM 0 HB2 LYS A 80 0.172 8.973 7.468 1.00 54.44 H new ATOM 0 HB3 LYS A 80 0.402 10.676 7.126 1.00 54.44 H new ATOM 0 HG2 LYS A 80 0.857 10.207 4.774 1.00 35.31 H new ATOM 0 HG3 LYS A 80 0.848 8.479 5.070 1.00 35.31 H new ATOM 0 HD2 LYS A 80 -1.528 8.546 5.691 1.00 41.15 H new ATOM 0 HD3 LYS A 80 -1.548 10.294 5.574 1.00 41.15 H new ATOM 0 HE2 LYS A 80 -0.922 8.442 3.239 1.00 65.33 H new ATOM 0 HE3 LYS A 80 -2.515 9.095 3.571 1.00 65.33 H new ATOM 0 HZ1 LYS A 80 -1.567 10.529 2.014 1.00 30.34 H new ATOM 0 HZ2 LYS A 80 -1.403 11.360 3.486 1.00 30.34 H new ATOM 0 HZ3 LYS A 80 -0.064 10.570 2.803 1.00 30.34 H new ATOM 1346 N GLY A 81 2.214 9.256 9.615 1.00 33.12 N ATOM 1347 CA GLY A 81 2.484 9.625 10.995 1.00 60.31 C ATOM 1348 C GLY A 81 3.960 9.895 11.252 1.00 13.42 C ATOM 1349 O GLY A 81 4.316 10.850 11.944 1.00 2.31 O ATOM 0 H GLY A 81 1.812 8.326 9.495 1.00 33.12 H new ATOM 0 HA2 GLY A 81 1.907 10.514 11.249 1.00 60.31 H new ATOM 0 HA3 GLY A 81 2.145 8.826 11.654 1.00 60.31 H new ATOM 1353 N ALA A 82 4.819 9.046 10.696 1.00 55.00 N ATOM 1354 CA ALA A 82 6.264 9.264 10.750 1.00 31.55 C ATOM 1355 C ALA A 82 6.635 10.614 10.112 1.00 11.12 C ATOM 1356 O ALA A 82 7.329 11.433 10.721 1.00 44.40 O ATOM 1357 CB ALA A 82 6.989 8.112 10.059 1.00 60.42 C ATOM 0 H ALA A 82 4.540 8.198 10.202 1.00 55.00 H new ATOM 0 HA ALA A 82 6.578 9.294 11.793 1.00 31.55 H new ATOM 0 HB1 ALA A 82 8.065 8.281 10.103 1.00 60.42 H new ATOM 0 HB2 ALA A 82 6.748 7.176 10.563 1.00 60.42 H new ATOM 0 HB3 ALA A 82 6.673 8.056 9.017 1.00 60.42 H new ATOM 1363 N VAL A 83 6.134 10.853 8.897 1.00 60.14 N ATOM 1364 CA VAL A 83 6.350 12.125 8.194 1.00 34.44 C ATOM 1365 C VAL A 83 5.895 13.323 9.052 1.00 10.34 C ATOM 1366 O VAL A 83 6.536 14.378 9.061 1.00 74.33 O ATOM 1367 CB VAL A 83 5.598 12.151 6.835 1.00 44.13 C ATOM 1368 CG1 VAL A 83 5.814 13.478 6.106 1.00 53.22 C ATOM 1369 CG2 VAL A 83 6.029 10.978 5.956 1.00 42.05 C ATOM 0 H VAL A 83 5.573 10.180 8.376 1.00 60.14 H new ATOM 0 HA VAL A 83 7.421 12.208 8.009 1.00 34.44 H new ATOM 0 HB VAL A 83 4.532 12.053 7.043 1.00 44.13 H new ATOM 0 HG11 VAL A 83 5.275 13.465 5.159 1.00 53.22 H new ATOM 0 HG12 VAL A 83 5.443 14.297 6.723 1.00 53.22 H new ATOM 0 HG13 VAL A 83 6.878 13.620 5.916 1.00 53.22 H new ATOM 0 HG21 VAL A 83 5.490 11.016 5.009 1.00 42.05 H new ATOM 0 HG22 VAL A 83 7.101 11.040 5.766 1.00 42.05 H new ATOM 0 HG23 VAL A 83 5.804 10.040 6.464 1.00 42.05 H new ATOM 1379 N ALA A 84 4.793 13.150 9.779 1.00 1.45 N ATOM 1380 CA ALA A 84 4.287 14.190 10.682 1.00 52.41 C ATOM 1381 C ALA A 84 5.294 14.515 11.802 1.00 25.11 C ATOM 1382 O ALA A 84 5.430 15.670 12.211 1.00 74.33 O ATOM 1383 CB ALA A 84 2.945 13.771 11.274 1.00 2.24 C ATOM 0 H ALA A 84 4.230 12.299 9.763 1.00 1.45 H new ATOM 0 HA ALA A 84 4.148 15.098 10.095 1.00 52.41 H new ATOM 0 HB1 ALA A 84 2.582 14.552 11.942 1.00 2.24 H new ATOM 0 HB2 ALA A 84 2.225 13.617 10.470 1.00 2.24 H new ATOM 0 HB3 ALA A 84 3.068 12.844 11.834 1.00 2.24 H new ATOM 1389 N ASN A 85 6.004 13.493 12.289 1.00 75.00 N ATOM 1390 CA ASN A 85 7.054 13.693 13.301 1.00 42.25 C ATOM 1391 C ASN A 85 8.296 14.345 12.673 1.00 43.34 C ATOM 1392 O ASN A 85 8.969 15.165 13.297 1.00 51.40 O ATOM 1393 CB ASN A 85 7.431 12.359 13.967 1.00 73.42 C ATOM 1394 CG ASN A 85 6.350 11.850 14.911 1.00 70.35 C ATOM 1395 OD1 ASN A 85 6.337 12.179 16.089 1.00 61.44 O ATOM 1396 ND2 ASN A 85 5.434 11.048 14.408 1.00 64.35 N ATOM 0 H ASN A 85 5.874 12.523 12.003 1.00 75.00 H new ATOM 0 HA ASN A 85 6.661 14.362 14.067 1.00 42.25 H new ATOM 0 HB2 ASN A 85 7.616 11.611 13.196 1.00 73.42 H new ATOM 0 HB3 ASN A 85 8.362 12.484 14.520 1.00 73.42 H new ATOM 0 HD21 ASN A 85 4.690 10.686 15.005 1.00 64.35 H new ATOM 0 HD22 ASN A 85 5.468 10.790 13.422 1.00 64.35 H new ATOM 1403 N ALA A 86 8.580 13.984 11.423 1.00 15.41 N ATOM 1404 CA ALA A 86 9.693 14.578 10.674 1.00 54.22 C ATOM 1405 C ALA A 86 9.516 16.096 10.495 1.00 30.42 C ATOM 1406 O ALA A 86 10.481 16.823 10.261 1.00 11.03 O ATOM 1407 CB ALA A 86 9.835 13.894 9.319 1.00 73.40 C ATOM 0 H ALA A 86 8.055 13.281 10.903 1.00 15.41 H new ATOM 0 HA ALA A 86 10.604 14.423 11.252 1.00 54.22 H new ATOM 0 HB1 ALA A 86 10.664 14.342 8.770 1.00 73.40 H new ATOM 0 HB2 ALA A 86 10.029 12.832 9.466 1.00 73.40 H new ATOM 0 HB3 ALA A 86 8.914 14.019 8.750 1.00 73.40 H new ATOM 1413 N ALA A 87 8.274 16.572 10.604 1.00 41.25 N ATOM 1414 CA ALA A 87 7.983 18.008 10.507 1.00 44.10 C ATOM 1415 C ALA A 87 8.466 18.776 11.754 1.00 13.42 C ATOM 1416 O ALA A 87 8.362 20.002 11.823 1.00 32.41 O ATOM 1417 CB ALA A 87 6.487 18.222 10.289 1.00 72.42 C ATOM 0 H ALA A 87 7.453 15.987 10.759 1.00 41.25 H new ATOM 0 HA ALA A 87 8.530 18.405 9.652 1.00 44.10 H new ATOM 0 HB1 ALA A 87 6.279 19.290 10.218 1.00 72.42 H new ATOM 0 HB2 ALA A 87 6.180 17.730 9.366 1.00 72.42 H new ATOM 0 HB3 ALA A 87 5.933 17.799 11.127 1.00 72.42 H new ATOM 1423 N CYS A 88 8.978 18.043 12.745 1.00 63.41 N ATOM 1424 CA CYS A 88 9.508 18.649 13.978 1.00 53.44 C ATOM 1425 C CYS A 88 11.046 18.719 13.965 1.00 74.23 C ATOM 1426 O CYS A 88 11.663 19.182 14.925 1.00 14.34 O ATOM 1427 CB CYS A 88 9.037 17.848 15.200 1.00 61.32 C ATOM 1428 SG CYS A 88 9.603 18.502 16.792 1.00 13.21 S ATOM 0 H CYS A 88 9.039 17.025 12.721 1.00 63.41 H new ATOM 0 HA CYS A 88 9.127 19.668 14.035 1.00 53.44 H new ATOM 0 HB2 CYS A 88 7.947 17.818 15.201 1.00 61.32 H new ATOM 0 HB3 CYS A 88 9.384 16.820 15.100 1.00 61.32 H new ATOM 0 HG CYS A 88 10.737 19.116 16.630 1.00 13.21 H new ATOM 1434 N LEU A 89 11.658 18.265 12.870 1.00 34.02 N ATOM 1435 CA LEU A 89 13.124 18.233 12.750 1.00 43.44 C ATOM 1436 C LEU A 89 13.717 19.629 12.476 1.00 75.34 C ATOM 1437 O LEU A 89 13.058 20.489 11.881 1.00 3.42 O ATOM 1438 CB LEU A 89 13.542 17.262 11.635 1.00 10.13 C ATOM 1439 CG LEU A 89 13.158 15.792 11.868 1.00 22.54 C ATOM 1440 CD1 LEU A 89 13.606 14.923 10.695 1.00 24.30 C ATOM 1441 CD2 LEU A 89 13.750 15.281 13.182 1.00 20.45 C ATOM 0 H LEU A 89 11.164 17.913 12.050 1.00 34.02 H new ATOM 0 HA LEU A 89 13.519 17.889 13.706 1.00 43.44 H new ATOM 0 HB2 LEU A 89 13.093 17.594 10.699 1.00 10.13 H new ATOM 0 HB3 LEU A 89 14.623 17.323 11.509 1.00 10.13 H new ATOM 0 HG LEU A 89 12.072 15.730 11.939 1.00 22.54 H new ATOM 0 HD11 LEU A 89 13.324 13.887 10.881 1.00 24.30 H new ATOM 0 HD12 LEU A 89 13.126 15.271 9.780 1.00 24.30 H new ATOM 0 HD13 LEU A 89 14.688 14.990 10.585 1.00 24.30 H new ATOM 0 HD21 LEU A 89 13.466 14.239 13.328 1.00 20.45 H new ATOM 0 HD22 LEU A 89 14.837 15.360 13.147 1.00 20.45 H new ATOM 0 HD23 LEU A 89 13.370 15.880 14.010 1.00 20.45 H new ATOM 1453 N PRO A 90 14.974 19.877 12.919 1.00 74.31 N ATOM 1454 CA PRO A 90 15.653 21.165 12.694 1.00 71.23 C ATOM 1455 C PRO A 90 15.832 21.499 11.201 1.00 4.43 C ATOM 1456 O PRO A 90 15.785 22.669 10.813 1.00 22.51 O ATOM 1457 CB PRO A 90 17.017 20.993 13.393 1.00 52.34 C ATOM 1458 CG PRO A 90 17.197 19.520 13.547 1.00 44.40 C ATOM 1459 CD PRO A 90 15.815 18.939 13.686 1.00 54.43 C ATOM 0 HA PRO A 90 15.069 21.997 13.087 1.00 71.23 H new ATOM 0 HB2 PRO A 90 17.821 21.428 12.799 1.00 52.34 H new ATOM 0 HB3 PRO A 90 17.029 21.494 14.361 1.00 52.34 H new ATOM 0 HG2 PRO A 90 17.711 19.098 12.683 1.00 44.40 H new ATOM 0 HG3 PRO A 90 17.805 19.292 14.422 1.00 44.40 H new ATOM 0 HD2 PRO A 90 15.761 17.928 13.282 1.00 54.43 H new ATOM 0 HD3 PRO A 90 15.506 18.882 14.730 1.00 54.43 H new ATOM 1467 N GLU A 91 16.049 20.479 10.365 1.00 12.04 N ATOM 1468 CA GLU A 91 16.108 20.676 8.910 1.00 11.33 C ATOM 1469 C GLU A 91 14.949 19.959 8.194 1.00 11.15 C ATOM 1470 O GLU A 91 14.669 18.784 8.437 1.00 42.21 O ATOM 1471 CB GLU A 91 17.459 20.220 8.323 1.00 1.31 C ATOM 1472 CG GLU A 91 17.829 18.758 8.582 1.00 24.50 C ATOM 1473 CD GLU A 91 18.320 18.511 10.000 1.00 53.55 C ATOM 1474 OE1 GLU A 91 19.461 18.924 10.316 1.00 32.00 O ATOM 1475 OE2 GLU A 91 17.573 17.915 10.801 1.00 10.32 O ATOM 0 H GLU A 91 16.186 19.514 10.666 1.00 12.04 H new ATOM 0 HA GLU A 91 16.009 21.748 8.737 1.00 11.33 H new ATOM 0 HB2 GLU A 91 17.443 20.387 7.246 1.00 1.31 H new ATOM 0 HB3 GLU A 91 18.246 20.854 8.732 1.00 1.31 H new ATOM 0 HG2 GLU A 91 16.959 18.130 8.390 1.00 24.50 H new ATOM 0 HG3 GLU A 91 18.603 18.455 7.877 1.00 24.50 H new ATOM 1482 N LEU A 92 14.288 20.685 7.294 1.00 73.12 N ATOM 1483 CA LEU A 92 13.135 20.163 6.554 1.00 52.22 C ATOM 1484 C LEU A 92 13.576 19.094 5.528 1.00 31.53 C ATOM 1485 O LEU A 92 12.766 18.288 5.071 1.00 4.44 O ATOM 1486 CB LEU A 92 12.416 21.348 5.861 1.00 72.41 C ATOM 1487 CG LEU A 92 10.929 21.151 5.492 1.00 12.25 C ATOM 1488 CD1 LEU A 92 10.761 20.245 4.275 1.00 63.23 C ATOM 1489 CD2 LEU A 92 10.147 20.611 6.690 1.00 31.31 C ATOM 0 H LEU A 92 14.533 21.646 7.056 1.00 73.12 H new ATOM 0 HA LEU A 92 12.445 19.675 7.242 1.00 52.22 H new ATOM 0 HB2 LEU A 92 12.490 22.217 6.515 1.00 72.41 H new ATOM 0 HB3 LEU A 92 12.962 21.588 4.949 1.00 72.41 H new ATOM 0 HG LEU A 92 10.523 22.126 5.224 1.00 12.25 H new ATOM 0 HD11 LEU A 92 9.701 20.132 4.049 1.00 63.23 H new ATOM 0 HD12 LEU A 92 11.270 20.688 3.419 1.00 63.23 H new ATOM 0 HD13 LEU A 92 11.193 19.267 4.487 1.00 63.23 H new ATOM 0 HD21 LEU A 92 9.101 20.478 6.412 1.00 31.31 H new ATOM 0 HD22 LEU A 92 10.566 19.652 6.996 1.00 31.31 H new ATOM 0 HD23 LEU A 92 10.216 21.317 7.518 1.00 31.31 H new ATOM 1501 N ILE A 93 14.875 19.076 5.212 1.00 52.24 N ATOM 1502 CA ILE A 93 15.439 18.191 4.176 1.00 35.33 C ATOM 1503 C ILE A 93 14.908 16.745 4.258 1.00 2.34 C ATOM 1504 O ILE A 93 14.341 16.232 3.291 1.00 62.33 O ATOM 1505 CB ILE A 93 16.988 18.166 4.251 1.00 0.41 C ATOM 1506 CG1 ILE A 93 17.556 19.592 4.136 1.00 52.44 C ATOM 1507 CG2 ILE A 93 17.574 17.265 3.163 1.00 5.11 C ATOM 1508 CD1 ILE A 93 17.182 20.304 2.849 1.00 45.43 C ATOM 0 H ILE A 93 15.568 19.672 5.664 1.00 52.24 H new ATOM 0 HA ILE A 93 15.117 18.610 3.223 1.00 35.33 H new ATOM 0 HB ILE A 93 17.274 17.756 5.220 1.00 0.41 H new ATOM 0 HG12 ILE A 93 17.202 20.182 4.981 1.00 52.44 H new ATOM 0 HG13 ILE A 93 18.642 19.546 4.211 1.00 52.44 H new ATOM 0 HG21 ILE A 93 18.661 17.265 3.237 1.00 5.11 H new ATOM 0 HG22 ILE A 93 17.201 16.249 3.292 1.00 5.11 H new ATOM 0 HG23 ILE A 93 17.277 17.638 2.183 1.00 5.11 H new ATOM 0 HD11 ILE A 93 17.620 21.302 2.845 1.00 45.43 H new ATOM 0 HD12 ILE A 93 17.560 19.738 1.997 1.00 45.43 H new ATOM 0 HD13 ILE A 93 16.097 20.384 2.779 1.00 45.43 H new ATOM 1520 N LEU A 94 15.089 16.096 5.408 1.00 75.02 N ATOM 1521 CA LEU A 94 14.629 14.711 5.592 1.00 11.01 C ATOM 1522 C LEU A 94 13.100 14.600 5.439 1.00 65.52 C ATOM 1523 O LEU A 94 12.594 13.686 4.779 1.00 54.12 O ATOM 1524 CB LEU A 94 15.067 14.177 6.967 1.00 51.24 C ATOM 1525 CG LEU A 94 14.609 12.742 7.301 1.00 11.23 C ATOM 1526 CD1 LEU A 94 15.041 11.764 6.211 1.00 74.43 C ATOM 1527 CD2 LEU A 94 15.153 12.301 8.660 1.00 51.11 C ATOM 0 H LEU A 94 15.548 16.500 6.224 1.00 75.02 H new ATOM 0 HA LEU A 94 15.089 14.103 4.813 1.00 11.01 H new ATOM 0 HB2 LEU A 94 16.155 14.214 7.022 1.00 51.24 H new ATOM 0 HB3 LEU A 94 14.686 14.849 7.736 1.00 51.24 H new ATOM 0 HG LEU A 94 13.520 12.741 7.349 1.00 11.23 H new ATOM 0 HD11 LEU A 94 14.706 10.760 6.470 1.00 74.43 H new ATOM 0 HD12 LEU A 94 14.598 12.060 5.260 1.00 74.43 H new ATOM 0 HD13 LEU A 94 16.127 11.773 6.124 1.00 74.43 H new ATOM 0 HD21 LEU A 94 14.817 11.286 8.874 1.00 51.11 H new ATOM 0 HD22 LEU A 94 16.243 12.326 8.641 1.00 51.11 H new ATOM 0 HD23 LEU A 94 14.788 12.975 9.434 1.00 51.11 H new ATOM 1539 N HIS A 95 12.372 15.545 6.037 1.00 53.00 N ATOM 1540 CA HIS A 95 10.906 15.571 5.943 1.00 72.33 C ATOM 1541 C HIS A 95 10.440 15.644 4.483 1.00 15.13 C ATOM 1542 O HIS A 95 9.434 15.038 4.108 1.00 21.33 O ATOM 1543 CB HIS A 95 10.344 16.767 6.725 1.00 3.54 C ATOM 1544 CG HIS A 95 8.854 16.905 6.631 1.00 24.13 C ATOM 1545 ND1 HIS A 95 7.863 16.159 7.172 1.00 30.15 N flip ATOM 1546 CD2 HIS A 95 8.224 17.907 5.922 1.00 11.25 C flip ATOM 1547 CE1 HIS A 95 6.671 16.717 6.780 1.00 62.03 C flip ATOM 1548 NE2 HIS A 95 6.918 17.766 6.028 1.00 61.21 N flip ATOM 0 H HIS A 95 12.770 16.303 6.592 1.00 53.00 H new ATOM 0 HA HIS A 95 10.530 14.644 6.376 1.00 72.33 H new ATOM 0 HB2 HIS A 95 10.625 16.668 7.774 1.00 3.54 H new ATOM 0 HB3 HIS A 95 10.808 17.681 6.356 1.00 3.54 H new ATOM 0 HD2 HIS A 95 8.724 18.686 5.366 1.00 11.25 H new ATOM 0 HE1 HIS A 95 5.690 16.353 7.046 1.00 62.03 H new ATOM 0 HE2 HIS A 95 6.217 18.370 5.599 1.00 61.21 H new ATOM 1557 N ASN A 96 11.167 16.406 3.675 1.00 24.31 N ATOM 1558 CA ASN A 96 10.855 16.552 2.254 1.00 22.45 C ATOM 1559 C ASN A 96 11.111 15.237 1.501 1.00 1.01 C ATOM 1560 O ASN A 96 10.216 14.697 0.852 1.00 10.40 O ATOM 1561 CB ASN A 96 11.697 17.675 1.642 1.00 72.23 C ATOM 1562 CG ASN A 96 11.299 17.988 0.212 1.00 71.15 C ATOM 1563 OD1 ASN A 96 10.133 17.893 -0.159 1.00 10.41 O ATOM 1564 ND2 ASN A 96 12.266 18.348 -0.604 1.00 42.14 N ATOM 0 H ASN A 96 11.983 16.937 3.980 1.00 24.31 H new ATOM 0 HA ASN A 96 9.799 16.804 2.161 1.00 22.45 H new ATOM 0 HB2 ASN A 96 11.594 18.574 2.249 1.00 72.23 H new ATOM 0 HB3 ASN A 96 12.749 17.391 1.669 1.00 72.23 H new ATOM 0 HD21 ASN A 96 12.058 18.559 -1.580 1.00 42.14 H new ATOM 0 HD22 ASN A 96 13.224 18.416 -0.261 1.00 42.14 H new ATOM 1571 N LYS A 97 12.332 14.722 1.609 1.00 73.33 N ATOM 1572 CA LYS A 97 12.724 13.488 0.911 1.00 63.03 C ATOM 1573 C LYS A 97 11.747 12.329 1.173 1.00 10.04 C ATOM 1574 O LYS A 97 11.237 11.712 0.232 1.00 1.10 O ATOM 1575 CB LYS A 97 14.143 13.076 1.321 1.00 72.14 C ATOM 1576 CG LYS A 97 15.220 14.041 0.841 1.00 54.14 C ATOM 1577 CD LYS A 97 16.612 13.632 1.321 1.00 42.41 C ATOM 1578 CE LYS A 97 17.700 14.485 0.678 1.00 34.20 C ATOM 1579 NZ LYS A 97 17.768 14.279 -0.794 1.00 33.54 N ATOM 0 H LYS A 97 13.074 15.137 2.173 1.00 73.33 H new ATOM 0 HA LYS A 97 12.696 13.703 -0.157 1.00 63.03 H new ATOM 0 HB2 LYS A 97 14.191 13.002 2.407 1.00 72.14 H new ATOM 0 HB3 LYS A 97 14.353 12.083 0.924 1.00 72.14 H new ATOM 0 HG2 LYS A 97 15.210 14.082 -0.248 1.00 54.14 H new ATOM 0 HG3 LYS A 97 14.993 15.045 1.200 1.00 54.14 H new ATOM 0 HD2 LYS A 97 16.667 13.728 2.405 1.00 42.41 H new ATOM 0 HD3 LYS A 97 16.785 12.582 1.085 1.00 42.41 H new ATOM 0 HE2 LYS A 97 17.509 15.537 0.889 1.00 34.20 H new ATOM 0 HE3 LYS A 97 18.664 14.241 1.124 1.00 34.20 H new ATOM 0 HZ1 LYS A 97 18.676 14.636 -1.153 1.00 33.54 H new ATOM 0 HZ2 LYS A 97 17.686 13.264 -1.007 1.00 33.54 H new ATOM 0 HZ3 LYS A 97 16.989 14.793 -1.253 1.00 33.54 H new ATOM 1593 N MET A 98 11.469 12.050 2.447 1.00 20.23 N ATOM 1594 CA MET A 98 10.616 10.913 2.815 1.00 43.24 C ATOM 1595 C MET A 98 9.192 11.045 2.240 1.00 51.10 C ATOM 1596 O MET A 98 8.585 10.048 1.847 1.00 41.21 O ATOM 1597 CB MET A 98 10.573 10.738 4.341 1.00 43.25 C ATOM 1598 CG MET A 98 9.898 11.881 5.093 1.00 10.14 C ATOM 1599 SD MET A 98 10.051 11.721 6.883 1.00 40.03 S ATOM 1600 CE MET A 98 9.385 10.077 7.153 1.00 10.23 C ATOM 0 H MET A 98 11.818 12.590 3.239 1.00 20.23 H new ATOM 0 HA MET A 98 11.060 10.021 2.373 1.00 43.24 H new ATOM 0 HB2 MET A 98 10.051 9.810 4.572 1.00 43.25 H new ATOM 0 HB3 MET A 98 11.593 10.630 4.710 1.00 43.25 H new ATOM 0 HG2 MET A 98 10.337 12.827 4.778 1.00 10.14 H new ATOM 0 HG3 MET A 98 8.842 11.914 4.824 1.00 10.14 H new ATOM 0 HE1 MET A 98 8.759 10.080 8.045 1.00 10.23 H new ATOM 0 HE2 MET A 98 8.787 9.781 6.291 1.00 10.23 H new ATOM 0 HE3 MET A 98 10.204 9.370 7.287 1.00 10.23 H new ATOM 1610 N LYS A 99 8.658 12.269 2.173 1.00 2.22 N ATOM 1611 CA LYS A 99 7.322 12.466 1.592 1.00 50.44 C ATOM 1612 C LYS A 99 7.369 12.332 0.065 1.00 33.25 C ATOM 1613 O LYS A 99 6.426 11.834 -0.547 1.00 63.22 O ATOM 1614 CB LYS A 99 6.711 13.826 1.984 1.00 33.43 C ATOM 1615 CG LYS A 99 7.375 15.037 1.332 1.00 33.21 C ATOM 1616 CD LYS A 99 6.514 16.297 1.444 1.00 31.25 C ATOM 1617 CE LYS A 99 5.236 16.185 0.610 1.00 22.33 C ATOM 1618 NZ LYS A 99 4.399 17.411 0.697 1.00 13.14 N ATOM 0 H LYS A 99 9.114 13.119 2.504 1.00 2.22 H new ATOM 0 HA LYS A 99 6.680 11.685 2.001 1.00 50.44 H new ATOM 0 HB2 LYS A 99 5.653 13.823 1.720 1.00 33.43 H new ATOM 0 HB3 LYS A 99 6.769 13.936 3.067 1.00 33.43 H new ATOM 0 HG2 LYS A 99 8.342 15.216 1.802 1.00 33.21 H new ATOM 0 HG3 LYS A 99 7.567 14.822 0.281 1.00 33.21 H new ATOM 0 HD2 LYS A 99 6.253 16.468 2.488 1.00 31.25 H new ATOM 0 HD3 LYS A 99 7.090 17.162 1.114 1.00 31.25 H new ATOM 0 HE2 LYS A 99 5.499 16.000 -0.431 1.00 22.33 H new ATOM 0 HE3 LYS A 99 4.656 15.327 0.950 1.00 22.33 H new ATOM 0 HZ1 LYS A 99 3.544 17.290 0.117 1.00 13.14 H new ATOM 0 HZ2 LYS A 99 4.125 17.575 1.687 1.00 13.14 H new ATOM 0 HZ3 LYS A 99 4.941 18.227 0.348 1.00 13.14 H new ATOM 1632 N ARG A 100 8.475 12.771 -0.543 1.00 54.30 N ATOM 1633 CA ARG A 100 8.665 12.651 -1.992 1.00 53.45 C ATOM 1634 C ARG A 100 8.638 11.179 -2.421 1.00 44.23 C ATOM 1635 O ARG A 100 7.966 10.813 -3.384 1.00 35.02 O ATOM 1636 CB ARG A 100 9.987 13.309 -2.421 1.00 23.30 C ATOM 1637 CG ARG A 100 10.051 14.808 -2.139 1.00 25.23 C ATOM 1638 CD ARG A 100 9.006 15.586 -2.931 1.00 62.12 C ATOM 1639 NE ARG A 100 8.924 16.982 -2.500 1.00 2.23 N ATOM 1640 CZ ARG A 100 8.532 17.966 -3.261 1.00 3.14 C ATOM 1641 NH1 ARG A 100 8.273 17.767 -4.512 1.00 71.23 N ATOM 1642 NH2 ARG A 100 8.430 19.159 -2.773 1.00 34.43 N ATOM 0 H ARG A 100 9.253 13.213 -0.054 1.00 54.30 H new ATOM 0 HA ARG A 100 7.844 13.170 -2.487 1.00 53.45 H new ATOM 0 HB2 ARG A 100 10.811 12.816 -1.905 1.00 23.30 H new ATOM 0 HB3 ARG A 100 10.135 13.143 -3.488 1.00 23.30 H new ATOM 0 HG2 ARG A 100 9.902 14.983 -1.073 1.00 25.23 H new ATOM 0 HG3 ARG A 100 11.045 15.181 -2.387 1.00 25.23 H new ATOM 0 HD2 ARG A 100 9.252 15.547 -3.992 1.00 62.12 H new ATOM 0 HD3 ARG A 100 8.032 15.111 -2.812 1.00 62.12 H new ATOM 0 HE ARG A 100 9.191 17.200 -1.540 1.00 2.23 H new ATOM 0 HH11 ARG A 100 8.375 16.834 -4.912 1.00 71.23 H new ATOM 0 HH12 ARG A 100 7.967 18.543 -5.099 1.00 71.23 H new ATOM 0 HH21 ARG A 100 8.656 19.330 -1.793 1.00 34.43 H new ATOM 0 HH22 ARG A 100 8.123 19.929 -3.368 1.00 34.43 H new ATOM 1656 N GLU A 101 9.357 10.334 -1.683 1.00 21.23 N ATOM 1657 CA GLU A 101 9.324 8.888 -1.917 1.00 62.35 C ATOM 1658 C GLU A 101 7.918 8.320 -1.646 1.00 71.02 C ATOM 1659 O GLU A 101 7.443 7.431 -2.354 1.00 12.22 O ATOM 1660 CB GLU A 101 10.354 8.178 -1.024 1.00 41.12 C ATOM 1661 CG GLU A 101 11.782 8.683 -1.203 1.00 2.05 C ATOM 1662 CD GLU A 101 12.797 7.871 -0.411 1.00 11.01 C ATOM 1663 OE1 GLU A 101 12.992 8.153 0.791 1.00 5.03 O ATOM 1664 OE2 GLU A 101 13.410 6.950 -0.995 1.00 0.41 O ATOM 0 H GLU A 101 9.968 10.623 -0.920 1.00 21.23 H new ATOM 0 HA GLU A 101 9.575 8.710 -2.963 1.00 62.35 H new ATOM 0 HB2 GLU A 101 10.063 8.303 0.019 1.00 41.12 H new ATOM 0 HB3 GLU A 101 10.328 7.109 -1.236 1.00 41.12 H new ATOM 0 HG2 GLU A 101 12.044 8.652 -2.261 1.00 2.05 H new ATOM 0 HG3 GLU A 101 11.836 9.726 -0.892 1.00 2.05 H new ATOM 1671 N LEU A 102 7.258 8.849 -0.613 1.00 43.44 N ATOM 1672 CA LEU A 102 5.904 8.417 -0.242 1.00 60.11 C ATOM 1673 C LEU A 102 4.875 8.729 -1.345 1.00 64.55 C ATOM 1674 O LEU A 102 3.861 8.034 -1.474 1.00 71.25 O ATOM 1675 CB LEU A 102 5.482 9.078 1.081 1.00 74.34 C ATOM 1676 CG LEU A 102 4.096 8.672 1.615 1.00 61.22 C ATOM 1677 CD1 LEU A 102 4.008 7.158 1.800 1.00 73.50 C ATOM 1678 CD2 LEU A 102 3.785 9.394 2.925 1.00 4.35 C ATOM 0 H LEU A 102 7.640 9.581 -0.014 1.00 43.44 H new ATOM 0 HA LEU A 102 5.928 7.335 -0.115 1.00 60.11 H new ATOM 0 HB2 LEU A 102 6.228 8.840 1.839 1.00 74.34 H new ATOM 0 HB3 LEU A 102 5.497 10.160 0.947 1.00 74.34 H new ATOM 0 HG LEU A 102 3.350 8.969 0.878 1.00 61.22 H new ATOM 0 HD11 LEU A 102 3.020 6.894 2.178 1.00 73.50 H new ATOM 0 HD12 LEU A 102 4.174 6.664 0.843 1.00 73.50 H new ATOM 0 HD13 LEU A 102 4.767 6.834 2.512 1.00 73.50 H new ATOM 0 HD21 LEU A 102 2.801 9.091 3.283 1.00 4.35 H new ATOM 0 HD22 LEU A 102 4.537 9.136 3.670 1.00 4.35 H new ATOM 0 HD23 LEU A 102 3.795 10.471 2.758 1.00 4.35 H new ATOM 1690 N GLN A 103 5.143 9.759 -2.154 1.00 12.42 N ATOM 1691 CA GLN A 103 4.237 10.132 -3.249 1.00 3.32 C ATOM 1692 C GLN A 103 4.053 8.963 -4.220 1.00 72.31 C ATOM 1693 O GLN A 103 2.999 8.807 -4.822 1.00 62.43 O ATOM 1694 CB GLN A 103 4.756 11.371 -3.995 1.00 14.50 C ATOM 1695 CG GLN A 103 4.967 12.583 -3.095 1.00 61.22 C ATOM 1696 CD GLN A 103 3.698 13.026 -2.384 1.00 51.34 C ATOM 1697 OE1 GLN A 103 2.977 13.896 -2.859 1.00 3.24 O ATOM 1698 NE2 GLN A 103 3.402 12.413 -1.256 1.00 54.12 N ATOM 0 H GLN A 103 5.973 10.346 -2.074 1.00 12.42 H new ATOM 0 HA GLN A 103 3.268 10.377 -2.814 1.00 3.32 H new ATOM 0 HB2 GLN A 103 5.699 11.123 -4.482 1.00 14.50 H new ATOM 0 HB3 GLN A 103 4.049 11.633 -4.783 1.00 14.50 H new ATOM 0 HG2 GLN A 103 5.729 12.348 -2.352 1.00 61.22 H new ATOM 0 HG3 GLN A 103 5.349 13.410 -3.693 1.00 61.22 H new ATOM 0 HE21 GLN A 103 4.024 11.693 -0.888 1.00 54.12 H new ATOM 0 HE22 GLN A 103 2.551 12.658 -0.750 1.00 54.12 H new ATOM 1707 N ARG A 104 5.088 8.135 -4.343 1.00 30.24 N ATOM 1708 CA ARG A 104 5.014 6.903 -5.133 1.00 40.32 C ATOM 1709 C ARG A 104 3.915 5.962 -4.607 1.00 11.33 C ATOM 1710 O ARG A 104 3.063 5.488 -5.365 1.00 45.25 O ATOM 1711 CB ARG A 104 6.372 6.191 -5.103 1.00 53.20 C ATOM 1712 CG ARG A 104 7.417 6.803 -6.032 1.00 3.23 C ATOM 1713 CD ARG A 104 7.047 6.574 -7.494 1.00 11.04 C ATOM 1714 NE ARG A 104 6.695 5.173 -7.734 1.00 32.34 N ATOM 1715 CZ ARG A 104 5.700 4.782 -8.479 1.00 10.02 C ATOM 1716 NH1 ARG A 104 4.994 5.644 -9.139 1.00 14.34 N ATOM 1717 NH2 ARG A 104 5.418 3.519 -8.566 1.00 13.14 N ATOM 0 H ARG A 104 5.994 8.294 -3.903 1.00 30.24 H new ATOM 0 HA ARG A 104 4.761 7.171 -6.159 1.00 40.32 H new ATOM 0 HB2 ARG A 104 6.755 6.206 -4.083 1.00 53.20 H new ATOM 0 HB3 ARG A 104 6.228 5.145 -5.374 1.00 53.20 H new ATOM 0 HG2 ARG A 104 7.501 7.872 -5.837 1.00 3.23 H new ATOM 0 HG3 ARG A 104 8.393 6.364 -5.827 1.00 3.23 H new ATOM 0 HD2 ARG A 104 6.208 7.215 -7.765 1.00 11.04 H new ATOM 0 HD3 ARG A 104 7.884 6.857 -8.133 1.00 11.04 H new ATOM 0 HE ARG A 104 7.267 4.455 -7.288 1.00 32.34 H new ATOM 0 HH11 ARG A 104 5.215 6.638 -9.078 1.00 14.34 H new ATOM 0 HH12 ARG A 104 4.217 5.329 -9.720 1.00 14.34 H new ATOM 0 HH21 ARG A 104 5.974 2.836 -8.052 1.00 13.14 H new ATOM 0 HH22 ARG A 104 4.640 3.209 -9.148 1.00 13.14 H new ATOM 1731 N VAL A 105 3.936 5.713 -3.298 1.00 44.12 N ATOM 1732 CA VAL A 105 2.978 4.805 -2.659 1.00 11.41 C ATOM 1733 C VAL A 105 1.547 5.371 -2.704 1.00 24.21 C ATOM 1734 O VAL A 105 0.583 4.645 -2.970 1.00 24.30 O ATOM 1735 CB VAL A 105 3.378 4.515 -1.188 1.00 72.23 C ATOM 1736 CG1 VAL A 105 2.454 3.469 -0.569 1.00 71.13 C ATOM 1737 CG2 VAL A 105 4.840 4.068 -1.105 1.00 13.42 C ATOM 0 H VAL A 105 4.609 6.129 -2.654 1.00 44.12 H new ATOM 0 HA VAL A 105 3.000 3.872 -3.222 1.00 11.41 H new ATOM 0 HB VAL A 105 3.271 5.438 -0.618 1.00 72.23 H new ATOM 0 HG11 VAL A 105 2.754 3.283 0.462 1.00 71.13 H new ATOM 0 HG12 VAL A 105 1.427 3.834 -0.587 1.00 71.13 H new ATOM 0 HG13 VAL A 105 2.520 2.542 -1.139 1.00 71.13 H new ATOM 0 HG21 VAL A 105 5.101 3.869 -0.066 1.00 13.42 H new ATOM 0 HG22 VAL A 105 4.977 3.161 -1.693 1.00 13.42 H new ATOM 0 HG23 VAL A 105 5.484 4.855 -1.497 1.00 13.42 H new ATOM 1747 N GLU A 106 1.410 6.674 -2.454 1.00 3.53 N ATOM 1748 CA GLU A 106 0.095 7.329 -2.482 1.00 75.12 C ATOM 1749 C GLU A 106 -0.454 7.466 -3.913 1.00 42.35 C ATOM 1750 O GLU A 106 -1.649 7.255 -4.147 1.00 40.24 O ATOM 1751 CB GLU A 106 0.154 8.704 -1.808 1.00 3.22 C ATOM 1752 CG GLU A 106 0.429 8.639 -0.308 1.00 64.14 C ATOM 1753 CD GLU A 106 0.145 9.951 0.406 1.00 51.51 C ATOM 1754 OE1 GLU A 106 -0.950 10.517 0.203 1.00 53.03 O ATOM 1755 OE2 GLU A 106 0.995 10.414 1.194 1.00 3.42 O ATOM 0 H GLU A 106 2.187 7.296 -2.231 1.00 3.53 H new ATOM 0 HA GLU A 106 -0.588 6.689 -1.924 1.00 75.12 H new ATOM 0 HB2 GLU A 106 0.931 9.300 -2.286 1.00 3.22 H new ATOM 0 HB3 GLU A 106 -0.791 9.221 -1.973 1.00 3.22 H new ATOM 0 HG2 GLU A 106 -0.182 7.852 0.134 1.00 64.14 H new ATOM 0 HG3 GLU A 106 1.471 8.362 -0.147 1.00 64.14 H new ATOM 1762 N ASP A 107 0.409 7.831 -4.861 1.00 23.34 N ATOM 1763 CA ASP A 107 0.011 7.896 -6.274 1.00 44.54 C ATOM 1764 C ASP A 107 -0.489 6.523 -6.757 1.00 1.43 C ATOM 1765 O ASP A 107 -1.450 6.426 -7.522 1.00 23.04 O ATOM 1766 CB ASP A 107 1.180 8.378 -7.140 1.00 73.32 C ATOM 1767 CG ASP A 107 0.747 8.714 -8.556 1.00 11.32 C ATOM 1768 OD1 ASP A 107 0.312 9.863 -8.791 1.00 32.12 O ATOM 1769 OD2 ASP A 107 0.845 7.840 -9.441 1.00 25.32 O ATOM 0 H ASP A 107 1.381 8.085 -4.683 1.00 23.34 H new ATOM 0 HA ASP A 107 -0.805 8.612 -6.369 1.00 44.54 H new ATOM 0 HB2 ASP A 107 1.630 9.258 -6.681 1.00 73.32 H new ATOM 0 HB3 ASP A 107 1.949 7.606 -7.171 1.00 73.32 H new ATOM 1774 N SER A 108 0.166 5.463 -6.294 1.00 54.34 N ATOM 1775 CA SER A 108 -0.312 4.100 -6.542 1.00 51.23 C ATOM 1776 C SER A 108 -1.702 3.893 -5.916 1.00 31.51 C ATOM 1777 O SER A 108 -2.644 3.483 -6.590 1.00 5.43 O ATOM 1778 CB SER A 108 0.675 3.066 -5.976 1.00 14.44 C ATOM 1779 OG SER A 108 1.939 3.143 -6.618 1.00 54.42 O ATOM 0 H SER A 108 1.025 5.517 -5.747 1.00 54.34 H new ATOM 0 HA SER A 108 -0.386 3.960 -7.620 1.00 51.23 H new ATOM 0 HB2 SER A 108 0.800 3.229 -4.906 1.00 14.44 H new ATOM 0 HB3 SER A 108 0.264 2.064 -6.100 1.00 14.44 H new ATOM 0 HG SER A 108 2.433 3.917 -6.276 1.00 54.42 H new ATOM 1785 N HIS A 109 -1.829 4.209 -4.626 1.00 73.53 N ATOM 1786 CA HIS A 109 -3.097 4.042 -3.895 1.00 23.54 C ATOM 1787 C HIS A 109 -4.287 4.715 -4.604 1.00 60.43 C ATOM 1788 O HIS A 109 -5.363 4.128 -4.701 1.00 51.34 O ATOM 1789 CB HIS A 109 -2.968 4.596 -2.470 1.00 3.13 C ATOM 1790 CG HIS A 109 -4.263 4.638 -1.703 1.00 63.11 C ATOM 1791 ND1 HIS A 109 -5.177 3.601 -1.688 1.00 3.14 N ATOM 1792 CD2 HIS A 109 -4.794 5.610 -0.924 1.00 10.04 C ATOM 1793 CE1 HIS A 109 -6.202 3.931 -0.929 1.00 2.41 C ATOM 1794 NE2 HIS A 109 -5.996 5.142 -0.457 1.00 73.22 N ATOM 0 H HIS A 109 -1.068 4.584 -4.059 1.00 73.53 H new ATOM 0 HA HIS A 109 -3.299 2.971 -3.862 1.00 23.54 H new ATOM 0 HB2 HIS A 109 -2.252 3.986 -1.919 1.00 3.13 H new ATOM 0 HB3 HIS A 109 -2.556 5.604 -2.520 1.00 3.13 H new ATOM 0 HD2 HIS A 109 -4.354 6.573 -0.710 1.00 10.04 H new ATOM 0 HE1 HIS A 109 -7.065 3.313 -0.728 1.00 2.41 H new ATOM 0 HE2 HIS A 109 -6.630 5.652 0.159 1.00 73.22 H new ATOM 1803 N GLN A 110 -4.098 5.943 -5.084 1.00 5.35 N ATOM 1804 CA GLN A 110 -5.195 6.690 -5.720 1.00 44.13 C ATOM 1805 C GLN A 110 -5.681 6.010 -7.016 1.00 73.31 C ATOM 1806 O GLN A 110 -6.888 5.891 -7.236 1.00 2.21 O ATOM 1807 CB GLN A 110 -4.786 8.145 -6.001 1.00 44.05 C ATOM 1808 CG GLN A 110 -3.616 8.291 -6.961 1.00 73.03 C ATOM 1809 CD GLN A 110 -3.262 9.736 -7.252 1.00 54.21 C ATOM 1810 OE1 GLN A 110 -2.375 10.303 -6.460 1.00 22.23 O flip ATOM 1811 NE2 GLN A 110 -3.778 10.340 -8.186 1.00 70.33 N flip ATOM 0 H GLN A 110 -3.209 6.442 -5.048 1.00 5.35 H new ATOM 0 HA GLN A 110 -6.026 6.692 -5.015 1.00 44.13 H new ATOM 0 HB2 GLN A 110 -5.644 8.679 -6.409 1.00 44.05 H new ATOM 0 HB3 GLN A 110 -4.529 8.627 -5.058 1.00 44.05 H new ATOM 0 HG2 GLN A 110 -2.745 7.787 -6.542 1.00 73.03 H new ATOM 0 HG3 GLN A 110 -3.857 7.787 -7.897 1.00 73.03 H new ATOM 0 HE21 GLN A 110 -4.462 9.872 -8.781 1.00 70.33 H new ATOM 0 HE22 GLN A 110 -3.524 11.311 -8.368 1.00 70.33 H new ATOM 1820 N ILE A 111 -4.755 5.554 -7.868 1.00 60.00 N ATOM 1821 CA ILE A 111 -5.141 4.886 -9.124 1.00 74.32 C ATOM 1822 C ILE A 111 -5.700 3.475 -8.858 1.00 52.24 C ATOM 1823 O ILE A 111 -6.562 2.989 -9.595 1.00 63.44 O ATOM 1824 CB ILE A 111 -3.974 4.814 -10.148 1.00 34.12 C ATOM 1825 CG1 ILE A 111 -2.796 3.995 -9.600 1.00 11.41 C ATOM 1826 CG2 ILE A 111 -3.522 6.224 -10.533 1.00 42.51 C ATOM 1827 CD1 ILE A 111 -1.634 3.874 -10.566 1.00 1.24 C ATOM 0 H ILE A 111 -3.749 5.631 -7.718 1.00 60.00 H new ATOM 0 HA ILE A 111 -5.926 5.500 -9.566 1.00 74.32 H new ATOM 0 HB ILE A 111 -4.338 4.306 -11.041 1.00 34.12 H new ATOM 0 HG12 ILE A 111 -2.443 4.456 -8.677 1.00 11.41 H new ATOM 0 HG13 ILE A 111 -3.148 2.996 -9.343 1.00 11.41 H new ATOM 0 HG21 ILE A 111 -2.704 6.161 -11.251 1.00 42.51 H new ATOM 0 HG22 ILE A 111 -4.356 6.764 -10.980 1.00 42.51 H new ATOM 0 HG23 ILE A 111 -3.183 6.753 -9.642 1.00 42.51 H new ATOM 0 HD11 ILE A 111 -0.841 3.282 -10.109 1.00 1.24 H new ATOM 0 HD12 ILE A 111 -1.970 3.385 -11.480 1.00 1.24 H new ATOM 0 HD13 ILE A 111 -1.254 4.867 -10.804 1.00 1.24 H new ATOM 1839 N LEU A 112 -5.211 2.823 -7.797 1.00 12.34 N ATOM 1840 CA LEU A 112 -5.795 1.556 -7.330 1.00 1.14 C ATOM 1841 C LEU A 112 -7.256 1.768 -6.917 1.00 73.54 C ATOM 1842 O LEU A 112 -8.150 1.038 -7.337 1.00 34.13 O ATOM 1843 CB LEU A 112 -5.009 0.998 -6.133 1.00 22.21 C ATOM 1844 CG LEU A 112 -3.536 0.652 -6.399 1.00 74.51 C ATOM 1845 CD1 LEU A 112 -2.845 0.233 -5.105 1.00 60.35 C ATOM 1846 CD2 LEU A 112 -3.415 -0.443 -7.456 1.00 2.52 C ATOM 0 H LEU A 112 -4.416 3.148 -7.246 1.00 12.34 H new ATOM 0 HA LEU A 112 -5.745 0.841 -8.151 1.00 1.14 H new ATOM 0 HB2 LEU A 112 -5.050 1.728 -5.324 1.00 22.21 H new ATOM 0 HB3 LEU A 112 -5.515 0.100 -5.778 1.00 22.21 H new ATOM 0 HG LEU A 112 -3.040 1.544 -6.782 1.00 74.51 H new ATOM 0 HD11 LEU A 112 -1.802 -0.009 -5.311 1.00 60.35 H new ATOM 0 HD12 LEU A 112 -2.893 1.051 -4.386 1.00 60.35 H new ATOM 0 HD13 LEU A 112 -3.346 -0.643 -4.692 1.00 60.35 H new ATOM 0 HD21 LEU A 112 -2.363 -0.670 -7.626 1.00 2.52 H new ATOM 0 HD22 LEU A 112 -3.928 -1.340 -7.111 1.00 2.52 H new ATOM 0 HD23 LEU A 112 -3.868 -0.102 -8.387 1.00 2.52 H new ATOM 1858 N SER A 113 -7.479 2.796 -6.101 1.00 11.00 N ATOM 1859 CA SER A 113 -8.820 3.144 -5.621 1.00 62.41 C ATOM 1860 C SER A 113 -9.767 3.479 -6.781 1.00 34.25 C ATOM 1861 O SER A 113 -10.900 3.004 -6.824 1.00 61.15 O ATOM 1862 CB SER A 113 -8.742 4.339 -4.662 1.00 44.34 C ATOM 1863 OG SER A 113 -10.022 4.686 -4.150 1.00 11.14 O ATOM 0 H SER A 113 -6.742 3.410 -5.754 1.00 11.00 H new ATOM 0 HA SER A 113 -9.218 2.275 -5.097 1.00 62.41 H new ATOM 0 HB2 SER A 113 -8.072 4.100 -3.836 1.00 44.34 H new ATOM 0 HB3 SER A 113 -8.313 5.196 -5.182 1.00 44.34 H new ATOM 0 HG SER A 113 -9.935 5.450 -3.542 1.00 11.14 H new ATOM 1869 N GLN A 114 -9.295 4.296 -7.722 1.00 35.32 N ATOM 1870 CA GLN A 114 -10.102 4.686 -8.887 1.00 1.01 C ATOM 1871 C GLN A 114 -10.512 3.476 -9.740 1.00 5.13 C ATOM 1872 O GLN A 114 -11.680 3.340 -10.111 1.00 65.23 O ATOM 1873 CB GLN A 114 -9.345 5.708 -9.747 1.00 35.42 C ATOM 1874 CG GLN A 114 -9.262 7.092 -9.112 1.00 24.24 C ATOM 1875 CD GLN A 114 -10.623 7.764 -8.977 1.00 43.22 C ATOM 1876 OE1 GLN A 114 -11.512 7.519 -9.921 1.00 63.25 O flip ATOM 1877 NE2 GLN A 114 -10.871 8.514 -8.041 1.00 54.15 N flip ATOM 0 H GLN A 114 -8.360 4.702 -7.704 1.00 35.32 H new ATOM 0 HA GLN A 114 -11.016 5.143 -8.506 1.00 1.01 H new ATOM 0 HB2 GLN A 114 -8.336 5.340 -9.931 1.00 35.42 H new ATOM 0 HB3 GLN A 114 -9.836 5.790 -10.717 1.00 35.42 H new ATOM 0 HG2 GLN A 114 -8.805 7.007 -8.126 1.00 24.24 H new ATOM 0 HG3 GLN A 114 -8.608 7.724 -9.713 1.00 24.24 H new ATOM 0 HE21 GLN A 114 -10.166 8.686 -7.325 1.00 54.15 H new ATOM 0 HE22 GLN A 114 -11.783 8.966 -7.978 1.00 54.15 H new ATOM 1886 N THR A 115 -9.553 2.605 -10.051 1.00 42.21 N ATOM 1887 CA THR A 115 -9.836 1.397 -10.838 1.00 34.45 C ATOM 1888 C THR A 115 -10.793 0.456 -10.092 1.00 31.31 C ATOM 1889 O THR A 115 -11.854 0.103 -10.606 1.00 35.01 O ATOM 1890 CB THR A 115 -8.543 0.625 -11.202 1.00 73.13 C ATOM 1891 OG1 THR A 115 -7.812 0.290 -10.014 1.00 51.25 O ATOM 1892 CG2 THR A 115 -7.655 1.446 -12.135 1.00 12.11 C ATOM 0 H THR A 115 -8.577 2.709 -9.774 1.00 42.21 H new ATOM 0 HA THR A 115 -10.309 1.736 -11.760 1.00 34.45 H new ATOM 0 HB THR A 115 -8.835 -0.290 -11.718 1.00 73.13 H new ATOM 0 HG1 THR A 115 -7.313 1.075 -9.705 1.00 51.25 H new ATOM 0 HG21 THR A 115 -6.755 0.879 -12.373 1.00 12.11 H new ATOM 0 HG22 THR A 115 -8.199 1.667 -13.054 1.00 12.11 H new ATOM 0 HG23 THR A 115 -7.377 2.379 -11.645 1.00 12.11 H new ATOM 1900 N SER A 116 -10.421 0.071 -8.871 1.00 30.11 N ATOM 1901 CA SER A 116 -11.274 -0.781 -8.024 1.00 13.41 C ATOM 1902 C SER A 116 -12.691 -0.202 -7.889 1.00 64.22 C ATOM 1903 O SER A 116 -13.685 -0.925 -7.981 1.00 72.14 O ATOM 1904 CB SER A 116 -10.660 -0.933 -6.626 1.00 11.50 C ATOM 1905 OG SER A 116 -9.348 -1.462 -6.695 1.00 44.24 O ATOM 0 H SER A 116 -9.534 0.333 -8.441 1.00 30.11 H new ATOM 0 HA SER A 116 -11.339 -1.756 -8.507 1.00 13.41 H new ATOM 0 HB2 SER A 116 -10.638 0.037 -6.129 1.00 11.50 H new ATOM 0 HB3 SER A 116 -11.287 -1.587 -6.020 1.00 11.50 H new ATOM 0 HG SER A 116 -8.718 -0.746 -6.918 1.00 44.24 H new ATOM 1911 N HIS A 117 -12.771 1.111 -7.669 1.00 23.24 N ATOM 1912 CA HIS A 117 -14.058 1.808 -7.560 1.00 51.24 C ATOM 1913 C HIS A 117 -14.876 1.669 -8.850 1.00 51.41 C ATOM 1914 O HIS A 117 -16.046 1.289 -8.817 1.00 2.20 O ATOM 1915 CB HIS A 117 -13.832 3.295 -7.258 1.00 43.00 C ATOM 1916 CG HIS A 117 -15.086 4.036 -6.919 1.00 54.45 C ATOM 1917 ND1 HIS A 117 -15.879 4.655 -7.860 1.00 42.13 N ATOM 1918 CD2 HIS A 117 -15.683 4.259 -5.728 1.00 45.43 C ATOM 1919 CE1 HIS A 117 -16.905 5.223 -7.261 1.00 1.35 C ATOM 1920 NE2 HIS A 117 -16.812 4.999 -5.970 1.00 75.53 N ATOM 0 H HIS A 117 -11.958 1.717 -7.562 1.00 23.24 H new ATOM 0 HA HIS A 117 -14.616 1.349 -6.744 1.00 51.24 H new ATOM 0 HB2 HIS A 117 -13.131 3.386 -6.428 1.00 43.00 H new ATOM 0 HB3 HIS A 117 -13.365 3.766 -8.123 1.00 43.00 H new ATOM 0 HD1 HIS A 117 -15.700 4.671 -8.864 1.00 42.13 H new ATOM 0 HD2 HIS A 117 -15.336 3.918 -4.764 1.00 45.43 H new ATOM 0 HE1 HIS A 117 -17.691 5.780 -7.749 1.00 1.35 H new ATOM 1929 N ASP A 118 -14.243 1.972 -9.978 1.00 65.44 N ATOM 1930 CA ASP A 118 -14.899 1.903 -11.288 1.00 53.21 C ATOM 1931 C ASP A 118 -15.415 0.478 -11.564 1.00 33.42 C ATOM 1932 O ASP A 118 -16.534 0.287 -12.049 1.00 24.14 O ATOM 1933 CB ASP A 118 -13.918 2.337 -12.384 1.00 25.51 C ATOM 1934 CG ASP A 118 -14.621 2.816 -13.643 1.00 62.43 C ATOM 1935 OD1 ASP A 118 -15.206 1.981 -14.363 1.00 14.00 O ATOM 1936 OD2 ASP A 118 -14.588 4.039 -13.919 1.00 71.40 O ATOM 0 H ASP A 118 -13.268 2.271 -10.016 1.00 65.44 H new ATOM 0 HA ASP A 118 -15.754 2.579 -11.287 1.00 53.21 H new ATOM 0 HB2 ASP A 118 -13.282 3.135 -12.002 1.00 25.51 H new ATOM 0 HB3 ASP A 118 -13.265 1.501 -12.633 1.00 25.51 H new ATOM 1941 N LEU A 119 -14.596 -0.521 -11.234 1.00 4.01 N ATOM 1942 CA LEU A 119 -14.993 -1.926 -11.363 1.00 73.50 C ATOM 1943 C LEU A 119 -16.177 -2.251 -10.439 1.00 13.44 C ATOM 1944 O LEU A 119 -17.068 -3.022 -10.802 1.00 13.33 O ATOM 1945 CB LEU A 119 -13.811 -2.856 -11.048 1.00 73.41 C ATOM 1946 CG LEU A 119 -12.590 -2.697 -11.968 1.00 33.22 C ATOM 1947 CD1 LEU A 119 -11.487 -3.679 -11.579 1.00 12.33 C ATOM 1948 CD2 LEU A 119 -12.991 -2.872 -13.433 1.00 21.02 C ATOM 0 H LEU A 119 -13.651 -0.384 -10.874 1.00 4.01 H new ATOM 0 HA LEU A 119 -15.304 -2.090 -12.395 1.00 73.50 H new ATOM 0 HB2 LEU A 119 -13.496 -2.681 -10.019 1.00 73.41 H new ATOM 0 HB3 LEU A 119 -14.156 -3.888 -11.104 1.00 73.41 H new ATOM 0 HG LEU A 119 -12.198 -1.687 -11.845 1.00 33.22 H new ATOM 0 HD11 LEU A 119 -10.633 -3.549 -12.243 1.00 12.33 H new ATOM 0 HD12 LEU A 119 -11.179 -3.491 -10.551 1.00 12.33 H new ATOM 0 HD13 LEU A 119 -11.861 -4.699 -11.665 1.00 12.33 H new ATOM 0 HD21 LEU A 119 -12.112 -2.756 -14.067 1.00 21.02 H new ATOM 0 HD22 LEU A 119 -13.414 -3.866 -13.578 1.00 21.02 H new ATOM 0 HD23 LEU A 119 -13.733 -2.119 -13.700 1.00 21.02 H new ATOM 1960 N ASN A 120 -16.186 -1.646 -9.250 1.00 11.20 N ATOM 1961 CA ASN A 120 -17.287 -1.824 -8.298 1.00 43.25 C ATOM 1962 C ASN A 120 -18.585 -1.222 -8.860 1.00 22.14 C ATOM 1963 O ASN A 120 -19.667 -1.791 -8.714 1.00 24.41 O ATOM 1964 CB ASN A 120 -16.932 -1.183 -6.949 1.00 70.21 C ATOM 1965 CG ASN A 120 -18.044 -1.315 -5.922 1.00 21.12 C ATOM 1966 OD1 ASN A 120 -18.131 -2.309 -5.209 1.00 14.40 O ATOM 1967 ND2 ASN A 120 -18.897 -0.311 -5.826 1.00 44.33 N ATOM 0 H ASN A 120 -15.444 -1.028 -8.922 1.00 11.20 H new ATOM 0 HA ASN A 120 -17.445 -2.891 -8.142 1.00 43.25 H new ATOM 0 HB2 ASN A 120 -16.026 -1.647 -6.559 1.00 70.21 H new ATOM 0 HB3 ASN A 120 -16.708 -0.127 -7.102 1.00 70.21 H new ATOM 0 HD21 ASN A 120 -19.655 -0.349 -5.144 1.00 44.33 H new ATOM 0 HD22 ASN A 120 -18.798 0.502 -6.434 1.00 44.33 H new ATOM 1974 N GLU A 121 -18.459 -0.066 -9.512 1.00 21.13 N ATOM 1975 CA GLU A 121 -19.587 0.565 -10.210 1.00 70.11 C ATOM 1976 C GLU A 121 -20.096 -0.351 -11.332 1.00 52.23 C ATOM 1977 O GLU A 121 -21.300 -0.559 -11.493 1.00 74.01 O ATOM 1978 CB GLU A 121 -19.155 1.918 -10.794 1.00 13.34 C ATOM 1979 CG GLU A 121 -18.565 2.872 -9.758 1.00 24.35 C ATOM 1980 CD GLU A 121 -18.152 4.209 -10.355 1.00 42.02 C ATOM 1981 OE1 GLU A 121 -19.042 4.987 -10.762 1.00 12.41 O ATOM 1982 OE2 GLU A 121 -16.938 4.487 -10.428 1.00 33.51 O ATOM 0 H GLU A 121 -17.585 0.457 -9.573 1.00 21.13 H new ATOM 0 HA GLU A 121 -20.394 0.728 -9.495 1.00 70.11 H new ATOM 0 HB2 GLU A 121 -18.418 1.747 -11.579 1.00 13.34 H new ATOM 0 HB3 GLU A 121 -20.016 2.393 -11.264 1.00 13.34 H new ATOM 0 HG2 GLU A 121 -19.298 3.042 -8.969 1.00 24.35 H new ATOM 0 HG3 GLU A 121 -17.698 2.404 -9.292 1.00 24.35 H new ATOM 1989 N CYS A 122 -19.154 -0.913 -12.090 1.00 53.45 N ATOM 1990 CA CYS A 122 -19.468 -1.890 -13.142 1.00 53.52 C ATOM 1991 C CYS A 122 -19.884 -3.247 -12.552 1.00 74.52 C ATOM 1992 O CYS A 122 -20.209 -4.178 -13.291 1.00 74.20 O ATOM 1993 CB CYS A 122 -18.259 -2.082 -14.064 1.00 5.14 C ATOM 1994 SG CYS A 122 -17.778 -0.590 -14.966 1.00 4.51 S ATOM 0 H CYS A 122 -18.159 -0.709 -11.996 1.00 53.45 H new ATOM 0 HA CYS A 122 -20.308 -1.496 -13.714 1.00 53.52 H new ATOM 0 HB2 CYS A 122 -17.412 -2.424 -13.469 1.00 5.14 H new ATOM 0 HB3 CYS A 122 -18.484 -2.871 -14.781 1.00 5.14 H new ATOM 0 HG CYS A 122 -17.139 0.213 -14.168 1.00 4.51 H new ATOM 2000 N SER A 123 -19.840 -3.353 -11.220 1.00 24.34 N ATOM 2001 CA SER A 123 -20.267 -4.567 -10.502 1.00 60.53 C ATOM 2002 C SER A 123 -19.427 -5.792 -10.893 1.00 23.53 C ATOM 2003 O SER A 123 -19.848 -6.932 -10.687 1.00 30.12 O ATOM 2004 CB SER A 123 -21.754 -4.843 -10.764 1.00 52.13 C ATOM 2005 OG SER A 123 -22.547 -3.702 -10.452 1.00 21.42 O ATOM 0 H SER A 123 -19.510 -2.606 -10.608 1.00 24.34 H new ATOM 0 HA SER A 123 -20.113 -4.388 -9.438 1.00 60.53 H new ATOM 0 HB2 SER A 123 -21.898 -5.116 -11.809 1.00 52.13 H new ATOM 0 HB3 SER A 123 -22.081 -5.693 -10.165 1.00 52.13 H new ATOM 0 HG SER A 123 -23.490 -3.901 -10.628 1.00 21.42 H new ATOM 2011 N TRP A 124 -18.228 -5.542 -11.434 1.00 72.01 N ATOM 2012 CA TRP A 124 -17.333 -6.609 -11.911 1.00 41.24 C ATOM 2013 C TRP A 124 -18.021 -7.499 -12.962 1.00 32.33 C ATOM 2014 O TRP A 124 -17.675 -8.668 -13.127 1.00 33.15 O ATOM 2015 CB TRP A 124 -16.826 -7.452 -10.730 1.00 71.21 C ATOM 2016 CG TRP A 124 -15.966 -6.678 -9.771 1.00 14.23 C ATOM 2017 CD1 TRP A 124 -16.388 -5.799 -8.813 1.00 55.04 C ATOM 2018 CD2 TRP A 124 -14.537 -6.705 -9.685 1.00 51.22 C ATOM 2019 NE1 TRP A 124 -15.310 -5.284 -8.137 1.00 34.22 N ATOM 2020 CE2 TRP A 124 -14.163 -5.824 -8.651 1.00 54.12 C ATOM 2021 CE3 TRP A 124 -13.536 -7.392 -10.378 1.00 20.44 C ATOM 2022 CZ2 TRP A 124 -12.832 -5.614 -8.295 1.00 33.01 C ATOM 2023 CZ3 TRP A 124 -12.216 -7.182 -10.023 1.00 13.23 C ATOM 2024 CH2 TRP A 124 -11.875 -6.300 -8.990 1.00 62.22 C ATOM 0 H TRP A 124 -17.851 -4.602 -11.554 1.00 72.01 H new ATOM 0 HA TRP A 124 -16.478 -6.135 -12.394 1.00 41.24 H new ATOM 0 HB2 TRP A 124 -17.681 -7.861 -10.191 1.00 71.21 H new ATOM 0 HB3 TRP A 124 -16.257 -8.298 -11.115 1.00 71.21 H new ATOM 0 HD1 TRP A 124 -17.420 -5.546 -8.617 1.00 55.04 H new ATOM 0 HE1 TRP A 124 -15.357 -4.608 -7.375 1.00 34.22 H new ATOM 0 HE3 TRP A 124 -13.789 -8.074 -11.176 1.00 20.44 H new ATOM 0 HZ2 TRP A 124 -12.566 -4.934 -7.499 1.00 33.01 H new ATOM 0 HZ3 TRP A 124 -11.434 -7.707 -10.552 1.00 13.23 H new ATOM 0 HH2 TRP A 124 -10.835 -6.159 -8.737 1.00 62.22 H new ATOM 2035 N SER A 125 -18.972 -6.912 -13.692 1.00 61.13 N ATOM 2036 CA SER A 125 -19.748 -7.629 -14.717 1.00 15.12 C ATOM 2037 C SER A 125 -18.848 -8.414 -15.689 1.00 21.23 C ATOM 2038 O SER A 125 -17.992 -7.839 -16.371 1.00 14.40 O ATOM 2039 CB SER A 125 -20.615 -6.639 -15.508 1.00 75.35 C ATOM 2040 OG SER A 125 -21.309 -7.281 -16.568 1.00 74.01 O ATOM 0 H SER A 125 -19.228 -5.930 -13.593 1.00 61.13 H new ATOM 0 HA SER A 125 -20.380 -8.348 -14.197 1.00 15.12 H new ATOM 0 HB2 SER A 125 -21.332 -6.166 -14.837 1.00 75.35 H new ATOM 0 HB3 SER A 125 -19.986 -5.846 -15.912 1.00 75.35 H new ATOM 0 HG SER A 125 -21.852 -6.623 -17.050 1.00 74.01 H new ATOM 2046 N LEU A 126 -19.060 -9.728 -15.762 1.00 14.51 N ATOM 2047 CA LEU A 126 -18.284 -10.601 -16.651 1.00 62.14 C ATOM 2048 C LEU A 126 -18.473 -10.204 -18.125 1.00 21.33 C ATOM 2049 O LEU A 126 -17.595 -10.432 -18.956 1.00 10.32 O ATOM 2050 CB LEU A 126 -18.685 -12.073 -16.440 1.00 71.22 C ATOM 2051 CG LEU A 126 -18.191 -12.735 -15.134 1.00 71.21 C ATOM 2052 CD1 LEU A 126 -16.667 -12.818 -15.108 1.00 52.34 C ATOM 2053 CD2 LEU A 126 -18.719 -12.002 -13.897 1.00 4.53 C ATOM 0 H LEU A 126 -19.767 -10.217 -15.213 1.00 14.51 H new ATOM 0 HA LEU A 126 -17.230 -10.482 -16.402 1.00 62.14 H new ATOM 0 HB2 LEU A 126 -19.773 -12.139 -16.467 1.00 71.22 H new ATOM 0 HB3 LEU A 126 -18.309 -12.654 -17.282 1.00 71.22 H new ATOM 0 HG LEU A 126 -18.588 -13.750 -15.110 1.00 71.21 H new ATOM 0 HD11 LEU A 126 -16.344 -13.288 -14.179 1.00 52.34 H new ATOM 0 HD12 LEU A 126 -16.320 -13.411 -15.954 1.00 52.34 H new ATOM 0 HD13 LEU A 126 -16.247 -11.814 -15.172 1.00 52.34 H new ATOM 0 HD21 LEU A 126 -18.351 -12.495 -12.997 1.00 4.53 H new ATOM 0 HD22 LEU A 126 -18.373 -10.968 -13.911 1.00 4.53 H new ATOM 0 HD23 LEU A 126 -19.809 -12.020 -13.901 1.00 4.53 H new ATOM 2065 N ASN A 127 -19.620 -9.597 -18.432 1.00 11.04 N ATOM 2066 CA ASN A 127 -19.909 -9.102 -19.787 1.00 44.12 C ATOM 2067 C ASN A 127 -18.953 -7.960 -20.176 1.00 12.40 C ATOM 2068 O ASN A 127 -18.721 -7.701 -21.352 1.00 14.41 O ATOM 2069 CB ASN A 127 -21.367 -8.624 -19.873 1.00 34.31 C ATOM 2070 CG ASN A 127 -21.766 -8.188 -21.276 1.00 41.22 C ATOM 2071 OD1 ASN A 127 -22.214 -8.993 -22.086 1.00 72.33 O ATOM 2072 ND2 ASN A 127 -21.622 -6.911 -21.574 1.00 71.33 N ATOM 0 H ASN A 127 -20.370 -9.434 -17.760 1.00 11.04 H new ATOM 0 HA ASN A 127 -19.759 -9.923 -20.488 1.00 44.12 H new ATOM 0 HB2 ASN A 127 -22.027 -9.427 -19.546 1.00 34.31 H new ATOM 0 HB3 ASN A 127 -21.512 -7.792 -19.184 1.00 34.31 H new ATOM 0 HD21 ASN A 127 -21.886 -6.570 -22.498 1.00 71.33 H new ATOM 0 HD22 ASN A 127 -21.247 -6.265 -20.880 1.00 71.33 H new ATOM 2079 N ILE A 128 -18.410 -7.279 -19.172 1.00 43.44 N ATOM 2080 CA ILE A 128 -17.472 -6.173 -19.393 1.00 71.14 C ATOM 2081 C ILE A 128 -16.011 -6.647 -19.311 1.00 31.25 C ATOM 2082 O ILE A 128 -15.181 -6.276 -20.138 1.00 60.43 O ATOM 2083 CB ILE A 128 -17.703 -5.043 -18.357 1.00 63.45 C ATOM 2084 CG1 ILE A 128 -19.140 -4.503 -18.471 1.00 1.54 C ATOM 2085 CG2 ILE A 128 -16.683 -3.916 -18.540 1.00 42.04 C ATOM 2086 CD1 ILE A 128 -19.474 -3.429 -17.458 1.00 64.33 C ATOM 0 H ILE A 128 -18.602 -7.472 -18.189 1.00 43.44 H new ATOM 0 HA ILE A 128 -17.658 -5.790 -20.396 1.00 71.14 H new ATOM 0 HB ILE A 128 -17.566 -5.458 -17.358 1.00 63.45 H new ATOM 0 HG12 ILE A 128 -19.288 -4.102 -19.474 1.00 1.54 H new ATOM 0 HG13 ILE A 128 -19.839 -5.331 -18.352 1.00 1.54 H new ATOM 0 HG21 ILE A 128 -16.866 -3.136 -17.801 1.00 42.04 H new ATOM 0 HG22 ILE A 128 -15.676 -4.312 -18.407 1.00 42.04 H new ATOM 0 HG23 ILE A 128 -16.779 -3.497 -19.542 1.00 42.04 H new ATOM 0 HD11 ILE A 128 -20.503 -3.100 -17.603 1.00 64.33 H new ATOM 0 HD12 ILE A 128 -19.360 -3.830 -16.451 1.00 64.33 H new ATOM 0 HD13 ILE A 128 -18.800 -2.582 -17.590 1.00 64.33 H new ATOM 2098 N LEU A 129 -15.711 -7.468 -18.305 1.00 12.40 N ATOM 2099 CA LEU A 129 -14.336 -7.929 -18.067 1.00 21.20 C ATOM 2100 C LEU A 129 -13.971 -9.151 -18.936 1.00 71.31 C ATOM 2101 O LEU A 129 -13.049 -9.089 -19.749 1.00 1.01 O ATOM 2102 CB LEU A 129 -14.153 -8.263 -16.579 1.00 1.10 C ATOM 2103 CG LEU A 129 -14.439 -7.102 -15.605 1.00 43.43 C ATOM 2104 CD1 LEU A 129 -14.260 -7.551 -14.157 1.00 4.51 C ATOM 2105 CD2 LEU A 129 -13.547 -5.898 -15.910 1.00 62.43 C ATOM 0 H LEU A 129 -16.397 -7.829 -17.641 1.00 12.40 H new ATOM 0 HA LEU A 129 -13.662 -7.121 -18.350 1.00 21.20 H new ATOM 0 HB2 LEU A 129 -14.808 -9.097 -16.327 1.00 1.10 H new ATOM 0 HB3 LEU A 129 -13.129 -8.603 -16.423 1.00 1.10 H new ATOM 0 HG LEU A 129 -15.477 -6.798 -15.743 1.00 43.43 H new ATOM 0 HD11 LEU A 129 -14.467 -6.715 -13.489 1.00 4.51 H new ATOM 0 HD12 LEU A 129 -14.949 -8.367 -13.941 1.00 4.51 H new ATOM 0 HD13 LEU A 129 -13.236 -7.891 -14.006 1.00 4.51 H new ATOM 0 HD21 LEU A 129 -13.769 -5.094 -15.209 1.00 62.43 H new ATOM 0 HD22 LEU A 129 -12.500 -6.186 -15.812 1.00 62.43 H new ATOM 0 HD23 LEU A 129 -13.735 -5.555 -16.927 1.00 62.43 H new ATOM 2117 N ALA A 130 -14.696 -10.257 -18.761 1.00 43.40 N ATOM 2118 CA ALA A 130 -14.424 -11.490 -19.517 1.00 43.43 C ATOM 2119 C ALA A 130 -14.760 -11.324 -21.008 1.00 2.11 C ATOM 2120 O ALA A 130 -14.001 -11.740 -21.885 1.00 75.11 O ATOM 2121 CB ALA A 130 -15.206 -12.655 -18.921 1.00 34.45 C ATOM 0 H ALA A 130 -15.474 -10.329 -18.106 1.00 43.40 H new ATOM 0 HA ALA A 130 -13.357 -11.701 -19.441 1.00 43.43 H new ATOM 0 HB1 ALA A 130 -14.997 -13.562 -19.489 1.00 34.45 H new ATOM 0 HB2 ALA A 130 -14.908 -12.800 -17.883 1.00 34.45 H new ATOM 0 HB3 ALA A 130 -16.273 -12.437 -18.965 1.00 34.45 H new ATOM 2272 N ASP A 140 -7.729 -0.908 -17.257 1.00 11.54 N ATOM 2273 CA ASP A 140 -7.764 -0.554 -15.836 1.00 52.10 C ATOM 2274 C ASP A 140 -7.640 -1.800 -14.931 1.00 14.42 C ATOM 2275 O ASP A 140 -7.036 -1.736 -13.858 1.00 14.51 O ATOM 2276 CB ASP A 140 -9.048 0.226 -15.525 1.00 62.34 C ATOM 2277 CG ASP A 140 -10.276 -0.399 -16.166 1.00 10.22 C ATOM 2278 OD1 ASP A 140 -10.852 -1.333 -15.579 1.00 54.24 O ATOM 2279 OD2 ASP A 140 -10.661 0.041 -17.274 1.00 34.31 O ATOM 0 HA ASP A 140 -6.903 0.080 -15.623 1.00 52.10 H new ATOM 0 HB2 ASP A 140 -9.189 0.272 -14.445 1.00 62.34 H new ATOM 0 HB3 ASP A 140 -8.941 1.252 -15.877 1.00 62.34 H new ATOM 2284 N LEU A 141 -8.197 -2.928 -15.378 1.00 14.32 N ATOM 2285 CA LEU A 141 -8.075 -4.198 -14.648 1.00 3.21 C ATOM 2286 C LEU A 141 -6.604 -4.651 -14.570 1.00 32.51 C ATOM 2287 O LEU A 141 -6.062 -4.854 -13.478 1.00 71.52 O ATOM 2288 CB LEU A 141 -8.930 -5.282 -15.322 1.00 30.43 C ATOM 2289 CG LEU A 141 -8.921 -6.661 -14.634 1.00 51.03 C ATOM 2290 CD1 LEU A 141 -9.470 -6.565 -13.211 1.00 51.23 C ATOM 2291 CD2 LEU A 141 -9.713 -7.676 -15.457 1.00 32.50 C ATOM 0 H LEU A 141 -8.737 -2.991 -16.241 1.00 14.32 H new ATOM 0 HA LEU A 141 -8.437 -4.042 -13.632 1.00 3.21 H new ATOM 0 HB2 LEU A 141 -9.960 -4.928 -15.373 1.00 30.43 H new ATOM 0 HB3 LEU A 141 -8.585 -5.406 -16.348 1.00 30.43 H new ATOM 0 HG LEU A 141 -7.888 -7.004 -14.571 1.00 51.03 H new ATOM 0 HD11 LEU A 141 -9.453 -7.551 -12.747 1.00 51.23 H new ATOM 0 HD12 LEU A 141 -8.854 -5.880 -12.629 1.00 51.23 H new ATOM 0 HD13 LEU A 141 -10.495 -6.196 -13.241 1.00 51.23 H new ATOM 0 HD21 LEU A 141 -9.696 -8.644 -14.956 1.00 32.50 H new ATOM 0 HD22 LEU A 141 -10.744 -7.338 -15.557 1.00 32.50 H new ATOM 0 HD23 LEU A 141 -9.265 -7.772 -16.446 1.00 32.50 H new ATOM 2303 N ASP A 142 -5.960 -4.800 -15.731 1.00 63.04 N ATOM 2304 CA ASP A 142 -4.524 -5.107 -15.788 1.00 3.21 C ATOM 2305 C ASP A 142 -3.696 -4.018 -15.082 1.00 25.43 C ATOM 2306 O ASP A 142 -2.652 -4.297 -14.487 1.00 31.13 O ATOM 2307 CB ASP A 142 -4.065 -5.247 -17.244 1.00 23.45 C ATOM 2308 CG ASP A 142 -4.684 -6.448 -17.936 1.00 75.33 C ATOM 2309 OD1 ASP A 142 -5.807 -6.325 -18.463 1.00 13.03 O ATOM 2310 OD2 ASP A 142 -4.044 -7.525 -17.959 1.00 42.33 O ATOM 0 H ASP A 142 -6.407 -4.714 -16.644 1.00 63.04 H new ATOM 0 HA ASP A 142 -4.364 -6.052 -15.270 1.00 3.21 H new ATOM 0 HB2 ASP A 142 -4.326 -4.342 -17.792 1.00 23.45 H new ATOM 0 HB3 ASP A 142 -2.979 -5.335 -17.272 1.00 23.45 H new ATOM 2315 N ARG A 143 -4.180 -2.777 -15.151 1.00 72.50 N ATOM 2316 CA ARG A 143 -3.527 -1.638 -14.501 1.00 34.23 C ATOM 2317 C ARG A 143 -3.435 -1.844 -12.982 1.00 41.23 C ATOM 2318 O ARG A 143 -2.369 -1.672 -12.390 1.00 31.02 O ATOM 2319 CB ARG A 143 -4.292 -0.345 -14.810 1.00 1.40 C ATOM 2320 CG ARG A 143 -3.598 0.924 -14.328 1.00 31.54 C ATOM 2321 CD ARG A 143 -4.433 2.166 -14.619 1.00 20.11 C ATOM 2322 NE ARG A 143 -4.849 2.250 -16.024 1.00 10.43 N ATOM 2323 CZ ARG A 143 -5.020 3.370 -16.675 1.00 43.03 C ATOM 2324 NH1 ARG A 143 -4.737 4.508 -16.125 1.00 32.32 N ATOM 2325 NH2 ARG A 143 -5.457 3.348 -17.889 1.00 4.22 N ATOM 0 H ARG A 143 -5.032 -2.533 -15.656 1.00 72.50 H new ATOM 0 HA ARG A 143 -2.514 -1.559 -14.895 1.00 34.23 H new ATOM 0 HB2 ARG A 143 -4.444 -0.275 -15.887 1.00 1.40 H new ATOM 0 HB3 ARG A 143 -5.279 -0.402 -14.351 1.00 1.40 H new ATOM 0 HG2 ARG A 143 -3.412 0.853 -13.256 1.00 31.54 H new ATOM 0 HG3 ARG A 143 -2.627 1.016 -14.815 1.00 31.54 H new ATOM 0 HD2 ARG A 143 -5.317 2.162 -13.982 1.00 20.11 H new ATOM 0 HD3 ARG A 143 -3.858 3.055 -14.361 1.00 20.11 H new ATOM 0 HE ARG A 143 -5.015 1.377 -16.525 1.00 10.43 H new ATOM 0 HH11 ARG A 143 -4.376 4.538 -15.172 1.00 32.32 H new ATOM 0 HH12 ARG A 143 -4.876 5.374 -16.645 1.00 32.32 H new ATOM 0 HH21 ARG A 143 -5.668 2.457 -18.339 1.00 4.22 H new ATOM 0 HH22 ARG A 143 -5.591 4.221 -18.399 1.00 4.22 H new ATOM 2339 N PHE A 144 -4.553 -2.222 -12.355 1.00 22.04 N ATOM 2340 CA PHE A 144 -4.560 -2.510 -10.914 1.00 71.30 C ATOM 2341 C PHE A 144 -3.525 -3.590 -10.571 1.00 60.55 C ATOM 2342 O PHE A 144 -2.822 -3.494 -9.572 1.00 13.40 O ATOM 2343 CB PHE A 144 -5.956 -2.953 -10.442 1.00 63.34 C ATOM 2344 CG PHE A 144 -6.017 -3.275 -8.962 1.00 50.42 C ATOM 2345 CD1 PHE A 144 -6.242 -2.275 -8.025 1.00 43.14 C ATOM 2346 CD2 PHE A 144 -5.836 -4.577 -8.507 1.00 75.21 C ATOM 2347 CE1 PHE A 144 -6.286 -2.566 -6.672 1.00 44.43 C ATOM 2348 CE2 PHE A 144 -5.877 -4.870 -7.157 1.00 12.23 C ATOM 2349 CZ PHE A 144 -6.103 -3.863 -6.240 1.00 23.33 C ATOM 0 H PHE A 144 -5.456 -2.335 -12.815 1.00 22.04 H new ATOM 0 HA PHE A 144 -4.296 -1.590 -10.393 1.00 71.30 H new ATOM 0 HB2 PHE A 144 -6.674 -2.164 -10.664 1.00 63.34 H new ATOM 0 HB3 PHE A 144 -6.262 -3.831 -11.010 1.00 63.34 H new ATOM 0 HD1 PHE A 144 -6.385 -1.257 -8.356 1.00 43.14 H new ATOM 0 HD2 PHE A 144 -5.661 -5.370 -9.219 1.00 75.21 H new ATOM 0 HE1 PHE A 144 -6.464 -1.778 -5.955 1.00 44.43 H new ATOM 0 HE2 PHE A 144 -5.732 -5.886 -6.820 1.00 12.23 H new ATOM 0 HZ PHE A 144 -6.136 -4.091 -5.185 1.00 23.33 H new ATOM 2359 N VAL A 145 -3.429 -4.610 -11.419 1.00 14.44 N ATOM 2360 CA VAL A 145 -2.472 -5.707 -11.217 1.00 35.11 C ATOM 2361 C VAL A 145 -1.012 -5.217 -11.249 1.00 54.20 C ATOM 2362 O VAL A 145 -0.270 -5.382 -10.276 1.00 43.41 O ATOM 2363 CB VAL A 145 -2.655 -6.809 -12.290 1.00 24.21 C ATOM 2364 CG1 VAL A 145 -1.629 -7.927 -12.105 1.00 42.11 C ATOM 2365 CG2 VAL A 145 -4.083 -7.360 -12.262 1.00 23.42 C ATOM 0 H VAL A 145 -4.002 -4.705 -12.257 1.00 14.44 H new ATOM 0 HA VAL A 145 -2.679 -6.117 -10.229 1.00 35.11 H new ATOM 0 HB VAL A 145 -2.486 -6.362 -13.270 1.00 24.21 H new ATOM 0 HG11 VAL A 145 -1.779 -8.688 -12.871 1.00 42.11 H new ATOM 0 HG12 VAL A 145 -0.623 -7.516 -12.193 1.00 42.11 H new ATOM 0 HG13 VAL A 145 -1.753 -8.375 -11.119 1.00 42.11 H new ATOM 0 HG21 VAL A 145 -4.190 -8.133 -13.023 1.00 23.42 H new ATOM 0 HG22 VAL A 145 -4.289 -7.787 -11.280 1.00 23.42 H new ATOM 0 HG23 VAL A 145 -4.788 -6.553 -12.462 1.00 23.42 H new ATOM 2375 N MET A 146 -0.605 -4.626 -12.373 1.00 42.52 N ATOM 2376 CA MET A 146 0.779 -4.160 -12.550 1.00 4.24 C ATOM 2377 C MET A 146 1.197 -3.157 -11.460 1.00 62.24 C ATOM 2378 O MET A 146 2.346 -3.160 -11.009 1.00 75.34 O ATOM 2379 CB MET A 146 0.968 -3.537 -13.942 1.00 22.12 C ATOM 2380 CG MET A 146 0.010 -2.393 -14.247 1.00 14.33 C ATOM 2381 SD MET A 146 0.328 -1.622 -15.845 1.00 24.45 S ATOM 2382 CE MET A 146 1.943 -0.905 -15.556 1.00 32.41 C ATOM 0 H MET A 146 -1.210 -4.457 -13.176 1.00 42.52 H new ATOM 0 HA MET A 146 1.424 -5.034 -12.459 1.00 4.24 H new ATOM 0 HB2 MET A 146 1.992 -3.172 -14.029 1.00 22.12 H new ATOM 0 HB3 MET A 146 0.841 -4.314 -14.696 1.00 22.12 H new ATOM 0 HG2 MET A 146 -1.014 -2.767 -14.227 1.00 14.33 H new ATOM 0 HG3 MET A 146 0.090 -1.640 -13.463 1.00 14.33 H new ATOM 0 HE1 MET A 146 2.127 -0.116 -16.286 1.00 32.41 H new ATOM 0 HE2 MET A 146 1.980 -0.485 -14.551 1.00 32.41 H new ATOM 0 HE3 MET A 146 2.707 -1.676 -15.656 1.00 32.41 H new ATOM 2392 N VAL A 147 0.268 -2.303 -11.040 1.00 72.01 N ATOM 2393 CA VAL A 147 0.542 -1.345 -9.968 1.00 62.54 C ATOM 2394 C VAL A 147 0.557 -2.026 -8.585 1.00 2.22 C ATOM 2395 O VAL A 147 1.482 -1.836 -7.800 1.00 2.14 O ATOM 2396 CB VAL A 147 -0.489 -0.189 -9.968 1.00 71.22 C ATOM 2397 CG1 VAL A 147 -0.199 0.800 -8.840 1.00 12.21 C ATOM 2398 CG2 VAL A 147 -0.498 0.518 -11.322 1.00 62.20 C ATOM 0 H VAL A 147 -0.677 -2.253 -11.422 1.00 72.01 H new ATOM 0 HA VAL A 147 1.533 -0.934 -10.161 1.00 62.54 H new ATOM 0 HB VAL A 147 -1.478 -0.613 -9.795 1.00 71.22 H new ATOM 0 HG11 VAL A 147 -0.936 1.602 -8.861 1.00 12.21 H new ATOM 0 HG12 VAL A 147 -0.251 0.284 -7.881 1.00 12.21 H new ATOM 0 HG13 VAL A 147 0.798 1.220 -8.972 1.00 12.21 H new ATOM 0 HG21 VAL A 147 -1.228 1.327 -11.305 1.00 62.20 H new ATOM 0 HG22 VAL A 147 0.492 0.926 -11.526 1.00 62.20 H new ATOM 0 HG23 VAL A 147 -0.765 -0.194 -12.103 1.00 62.20 H new ATOM 2408 N ALA A 148 -0.456 -2.838 -8.302 1.00 61.10 N ATOM 2409 CA ALA A 148 -0.559 -3.521 -7.002 1.00 60.34 C ATOM 2410 C ALA A 148 0.695 -4.349 -6.674 1.00 21.44 C ATOM 2411 O ALA A 148 1.099 -4.443 -5.517 1.00 32.22 O ATOM 2412 CB ALA A 148 -1.797 -4.408 -6.958 1.00 64.43 C ATOM 0 H ALA A 148 -1.218 -3.044 -8.948 1.00 61.10 H new ATOM 0 HA ALA A 148 -0.645 -2.743 -6.243 1.00 60.34 H new ATOM 0 HB1 ALA A 148 -1.855 -4.904 -5.989 1.00 64.43 H new ATOM 0 HB2 ALA A 148 -2.688 -3.797 -7.107 1.00 64.43 H new ATOM 0 HB3 ALA A 148 -1.735 -5.158 -7.746 1.00 64.43 H new ATOM 2418 N LYS A 149 1.314 -4.944 -7.697 1.00 1.42 N ATOM 2419 CA LYS A 149 2.524 -5.752 -7.491 1.00 32.34 C ATOM 2420 C LYS A 149 3.782 -4.878 -7.297 1.00 62.33 C ATOM 2421 O LYS A 149 4.804 -5.360 -6.806 1.00 45.21 O ATOM 2422 CB LYS A 149 2.740 -6.735 -8.653 1.00 14.03 C ATOM 2423 CG LYS A 149 2.942 -6.072 -10.012 1.00 33.53 C ATOM 2424 CD LYS A 149 3.344 -7.080 -11.089 1.00 13.34 C ATOM 2425 CE LYS A 149 2.307 -8.186 -11.268 1.00 41.21 C ATOM 2426 NZ LYS A 149 2.710 -9.158 -12.320 1.00 20.51 N ATOM 0 H LYS A 149 1.004 -4.884 -8.667 1.00 1.42 H new ATOM 0 HA LYS A 149 2.367 -6.319 -6.574 1.00 32.34 H new ATOM 0 HB2 LYS A 149 3.609 -7.354 -8.432 1.00 14.03 H new ATOM 0 HB3 LYS A 149 1.880 -7.402 -8.712 1.00 14.03 H new ATOM 0 HG2 LYS A 149 2.021 -5.571 -10.311 1.00 33.53 H new ATOM 0 HG3 LYS A 149 3.711 -5.304 -9.930 1.00 33.53 H new ATOM 0 HD2 LYS A 149 3.483 -6.559 -12.036 1.00 13.34 H new ATOM 0 HD3 LYS A 149 4.304 -7.525 -10.826 1.00 13.34 H new ATOM 0 HE2 LYS A 149 2.169 -8.711 -10.323 1.00 41.21 H new ATOM 0 HE3 LYS A 149 1.346 -7.744 -11.531 1.00 41.21 H new ATOM 0 HZ1 LYS A 149 1.980 -9.893 -12.411 1.00 20.51 H new ATOM 0 HZ2 LYS A 149 2.818 -8.662 -13.228 1.00 20.51 H new ATOM 0 HZ3 LYS A 149 3.614 -9.599 -12.057 1.00 20.51 H new ATOM 2440 N THR A 150 3.719 -3.599 -7.687 1.00 22.01 N ATOM 2441 CA THR A 150 4.857 -2.684 -7.474 1.00 11.43 C ATOM 2442 C THR A 150 4.693 -1.866 -6.186 1.00 14.32 C ATOM 2443 O THR A 150 5.668 -1.326 -5.661 1.00 54.41 O ATOM 2444 CB THR A 150 5.090 -1.716 -8.669 1.00 32.31 C ATOM 2445 OG1 THR A 150 6.293 -0.959 -8.462 1.00 0.32 O ATOM 2446 CG2 THR A 150 3.929 -0.750 -8.863 1.00 75.34 C ATOM 0 H THR A 150 2.911 -3.176 -8.143 1.00 22.01 H new ATOM 0 HA THR A 150 5.732 -3.327 -7.386 1.00 11.43 H new ATOM 0 HB THR A 150 5.175 -2.331 -9.565 1.00 32.31 H new ATOM 0 HG1 THR A 150 6.130 -0.263 -7.791 1.00 0.32 H new ATOM 0 HG21 THR A 150 4.138 -0.095 -9.709 1.00 75.34 H new ATOM 0 HG22 THR A 150 3.016 -1.313 -9.057 1.00 75.34 H new ATOM 0 HG23 THR A 150 3.801 -0.150 -7.962 1.00 75.34 H new ATOM 2454 N VAL A 151 3.462 -1.786 -5.670 1.00 73.15 N ATOM 2455 CA VAL A 151 3.189 -1.067 -4.413 1.00 35.42 C ATOM 2456 C VAL A 151 4.103 -1.538 -3.260 1.00 75.03 C ATOM 2457 O VAL A 151 4.769 -0.716 -2.628 1.00 30.42 O ATOM 2458 CB VAL A 151 1.703 -1.196 -3.978 1.00 54.24 C ATOM 2459 CG1 VAL A 151 1.466 -0.526 -2.624 1.00 43.51 C ATOM 2460 CG2 VAL A 151 0.778 -0.608 -5.038 1.00 74.42 C ATOM 0 H VAL A 151 2.638 -2.208 -6.099 1.00 73.15 H new ATOM 0 HA VAL A 151 3.404 -0.019 -4.620 1.00 35.42 H new ATOM 0 HB VAL A 151 1.475 -2.257 -3.873 1.00 54.24 H new ATOM 0 HG11 VAL A 151 0.418 -0.632 -2.344 1.00 43.51 H new ATOM 0 HG12 VAL A 151 2.093 -1.000 -1.869 1.00 43.51 H new ATOM 0 HG13 VAL A 151 1.718 0.532 -2.693 1.00 43.51 H new ATOM 0 HG21 VAL A 151 -0.258 -0.709 -4.713 1.00 74.42 H new ATOM 0 HG22 VAL A 151 1.013 0.447 -5.181 1.00 74.42 H new ATOM 0 HG23 VAL A 151 0.917 -1.141 -5.978 1.00 74.42 H new ATOM 2470 N PRO A 152 4.165 -2.865 -2.963 1.00 13.05 N ATOM 2471 CA PRO A 152 5.045 -3.388 -1.902 1.00 63.40 C ATOM 2472 C PRO A 152 6.523 -3.038 -2.141 1.00 4.42 C ATOM 2473 O PRO A 152 7.276 -2.822 -1.193 1.00 24.15 O ATOM 2474 CB PRO A 152 4.829 -4.914 -1.958 1.00 62.52 C ATOM 2475 CG PRO A 152 4.219 -5.171 -3.295 1.00 12.41 C ATOM 2476 CD PRO A 152 3.402 -3.950 -3.612 1.00 43.10 C ATOM 0 HA PRO A 152 4.806 -2.954 -0.931 1.00 63.40 H new ATOM 0 HB2 PRO A 152 5.771 -5.450 -1.845 1.00 62.52 H new ATOM 0 HB3 PRO A 152 4.173 -5.249 -1.154 1.00 62.52 H new ATOM 0 HG2 PRO A 152 4.987 -5.335 -4.051 1.00 12.41 H new ATOM 0 HG3 PRO A 152 3.595 -6.065 -3.275 1.00 12.41 H new ATOM 0 HD2 PRO A 152 3.311 -3.793 -4.687 1.00 43.10 H new ATOM 0 HD3 PRO A 152 2.390 -4.026 -3.214 1.00 43.10 H new ATOM 2484 N ASP A 153 6.923 -2.955 -3.412 1.00 33.31 N ATOM 2485 CA ASP A 153 8.310 -2.645 -3.769 1.00 33.50 C ATOM 2486 C ASP A 153 8.649 -1.180 -3.452 1.00 50.23 C ATOM 2487 O ASP A 153 9.623 -0.899 -2.749 1.00 63.14 O ATOM 2488 CB ASP A 153 8.557 -2.940 -5.252 1.00 32.01 C ATOM 2489 CG ASP A 153 10.003 -2.699 -5.648 1.00 55.24 C ATOM 2490 OD1 ASP A 153 10.831 -3.614 -5.474 1.00 52.34 O ATOM 2491 OD2 ASP A 153 10.323 -1.590 -6.119 1.00 4.41 O ATOM 0 H ASP A 153 6.306 -3.098 -4.212 1.00 33.31 H new ATOM 0 HA ASP A 153 8.963 -3.280 -3.170 1.00 33.50 H new ATOM 0 HB2 ASP A 153 8.291 -3.975 -5.465 1.00 32.01 H new ATOM 0 HB3 ASP A 153 7.905 -2.312 -5.860 1.00 32.01 H new ATOM 2496 N ASP A 154 7.844 -0.250 -3.968 1.00 64.43 N ATOM 2497 CA ASP A 154 8.002 1.168 -3.631 1.00 11.40 C ATOM 2498 C ASP A 154 7.838 1.389 -2.113 1.00 45.44 C ATOM 2499 O ASP A 154 8.469 2.273 -1.529 1.00 35.20 O ATOM 2500 CB ASP A 154 6.995 2.026 -4.413 1.00 63.12 C ATOM 2501 CG ASP A 154 7.309 2.089 -5.903 1.00 62.35 C ATOM 2502 OD1 ASP A 154 8.114 2.955 -6.313 1.00 73.34 O ATOM 2503 OD2 ASP A 154 6.762 1.277 -6.678 1.00 30.10 O ATOM 0 H ASP A 154 7.082 -0.449 -4.616 1.00 64.43 H new ATOM 0 HA ASP A 154 9.008 1.476 -3.915 1.00 11.40 H new ATOM 0 HB2 ASP A 154 5.993 1.620 -4.274 1.00 63.12 H new ATOM 0 HB3 ASP A 154 6.990 3.036 -4.004 1.00 63.12 H new ATOM 2508 N ALA A 155 6.992 0.568 -1.482 1.00 20.22 N ATOM 2509 CA ALA A 155 6.806 0.605 -0.025 1.00 50.03 C ATOM 2510 C ALA A 155 8.083 0.189 0.725 1.00 32.42 C ATOM 2511 O ALA A 155 8.382 0.721 1.791 1.00 1.51 O ATOM 2512 CB ALA A 155 5.638 -0.287 0.381 1.00 42.34 C ATOM 0 H ALA A 155 6.423 -0.132 -1.958 1.00 20.22 H new ATOM 0 HA ALA A 155 6.583 1.635 0.253 1.00 50.03 H new ATOM 0 HB1 ALA A 155 5.511 -0.250 1.463 1.00 42.34 H new ATOM 0 HB2 ALA A 155 4.727 0.064 -0.103 1.00 42.34 H new ATOM 0 HB3 ALA A 155 5.840 -1.313 0.074 1.00 42.34 H new ATOM 2518 N LYS A 156 8.833 -0.763 0.172 1.00 51.45 N ATOM 2519 CA LYS A 156 10.099 -1.199 0.784 1.00 1.53 C ATOM 2520 C LYS A 156 11.092 -0.030 0.918 1.00 10.42 C ATOM 2521 O LYS A 156 11.872 0.028 1.870 1.00 34.15 O ATOM 2522 CB LYS A 156 10.725 -2.342 -0.027 1.00 14.23 C ATOM 2523 CG LYS A 156 9.917 -3.635 0.013 1.00 50.30 C ATOM 2524 CD LYS A 156 10.477 -4.705 -0.923 1.00 32.32 C ATOM 2525 CE LYS A 156 11.872 -5.166 -0.513 1.00 12.54 C ATOM 2526 NZ LYS A 156 12.352 -6.289 -1.363 1.00 10.10 N ATOM 0 H LYS A 156 8.593 -1.248 -0.693 1.00 51.45 H new ATOM 0 HA LYS A 156 9.873 -1.563 1.787 1.00 1.53 H new ATOM 0 HB2 LYS A 156 10.833 -2.023 -1.064 1.00 14.23 H new ATOM 0 HB3 LYS A 156 11.728 -2.538 0.353 1.00 14.23 H new ATOM 0 HG2 LYS A 156 9.904 -4.020 1.033 1.00 50.30 H new ATOM 0 HG3 LYS A 156 8.884 -3.422 -0.261 1.00 50.30 H new ATOM 0 HD2 LYS A 156 9.803 -5.562 -0.935 1.00 32.32 H new ATOM 0 HD3 LYS A 156 10.511 -4.313 -1.939 1.00 32.32 H new ATOM 0 HE2 LYS A 156 12.568 -4.330 -0.587 1.00 12.54 H new ATOM 0 HE3 LYS A 156 11.860 -5.479 0.531 1.00 12.54 H new ATOM 0 HZ1 LYS A 156 13.303 -6.576 -1.055 1.00 10.10 H new ATOM 0 HZ2 LYS A 156 11.701 -7.095 -1.273 1.00 10.10 H new ATOM 0 HZ3 LYS A 156 12.388 -5.982 -2.356 1.00 10.10 H new ATOM 2540 N GLN A 157 11.048 0.902 -0.035 1.00 41.41 N ATOM 2541 CA GLN A 157 11.869 2.119 0.034 1.00 34.34 C ATOM 2542 C GLN A 157 11.530 2.938 1.290 1.00 53.11 C ATOM 2543 O GLN A 157 12.394 3.179 2.133 1.00 45.44 O ATOM 2544 CB GLN A 157 11.667 2.974 -1.227 1.00 60.22 C ATOM 2545 CG GLN A 157 12.285 2.375 -2.489 1.00 3.42 C ATOM 2546 CD GLN A 157 13.807 2.396 -2.468 1.00 51.30 C ATOM 2547 OE1 GLN A 157 14.434 3.355 -2.912 1.00 64.13 O ATOM 2548 NE2 GLN A 157 14.415 1.348 -1.949 1.00 63.44 N ATOM 0 H GLN A 157 10.455 0.841 -0.863 1.00 41.41 H new ATOM 0 HA GLN A 157 12.915 1.819 0.092 1.00 34.34 H new ATOM 0 HB2 GLN A 157 10.599 3.116 -1.390 1.00 60.22 H new ATOM 0 HB3 GLN A 157 12.097 3.961 -1.057 1.00 60.22 H new ATOM 0 HG2 GLN A 157 11.942 1.347 -2.603 1.00 3.42 H new ATOM 0 HG3 GLN A 157 11.931 2.928 -3.359 1.00 3.42 H new ATOM 0 HE21 GLN A 157 13.867 0.567 -1.588 1.00 63.44 H new ATOM 0 HE22 GLN A 157 15.434 1.318 -1.908 1.00 63.44 H new ATOM 2557 N LEU A 158 10.263 3.339 1.417 1.00 53.22 N ATOM 2558 CA LEU A 158 9.797 4.094 2.592 1.00 24.32 C ATOM 2559 C LEU A 158 10.088 3.335 3.891 1.00 34.44 C ATOM 2560 O LEU A 158 10.572 3.914 4.866 1.00 50.02 O ATOM 2561 CB LEU A 158 8.290 4.393 2.486 1.00 32.01 C ATOM 2562 CG LEU A 158 7.906 5.542 1.536 1.00 13.52 C ATOM 2563 CD1 LEU A 158 8.554 6.848 1.988 1.00 52.13 C ATOM 2564 CD2 LEU A 158 8.291 5.215 0.094 1.00 63.45 C ATOM 0 H LEU A 158 9.538 3.156 0.723 1.00 53.22 H new ATOM 0 HA LEU A 158 10.344 5.037 2.614 1.00 24.32 H new ATOM 0 HB2 LEU A 158 7.780 3.487 2.157 1.00 32.01 H new ATOM 0 HB3 LEU A 158 7.913 4.627 3.482 1.00 32.01 H new ATOM 0 HG LEU A 158 6.823 5.664 1.572 1.00 13.52 H new ATOM 0 HD11 LEU A 158 8.272 7.649 1.305 1.00 52.13 H new ATOM 0 HD12 LEU A 158 8.215 7.093 2.995 1.00 52.13 H new ATOM 0 HD13 LEU A 158 9.638 6.736 1.987 1.00 52.13 H new ATOM 0 HD21 LEU A 158 8.008 6.044 -0.555 1.00 63.45 H new ATOM 0 HD22 LEU A 158 9.368 5.057 0.032 1.00 63.45 H new ATOM 0 HD23 LEU A 158 7.772 4.311 -0.225 1.00 63.45 H new ATOM 2576 N THR A 159 9.801 2.036 3.887 1.00 13.35 N ATOM 2577 CA THR A 159 10.090 1.165 5.032 1.00 65.13 C ATOM 2578 C THR A 159 11.555 1.295 5.472 1.00 53.24 C ATOM 2579 O THR A 159 11.851 1.480 6.652 1.00 52.41 O ATOM 2580 CB THR A 159 9.795 -0.322 4.703 1.00 25.25 C ATOM 2581 OG1 THR A 159 8.450 -0.465 4.227 1.00 24.01 O ATOM 2582 CG2 THR A 159 9.997 -1.214 5.927 1.00 34.23 C ATOM 0 H THR A 159 9.365 1.557 3.099 1.00 13.35 H new ATOM 0 HA THR A 159 9.438 1.487 5.844 1.00 65.13 H new ATOM 0 HB THR A 159 10.495 -0.635 3.928 1.00 25.25 H new ATOM 0 HG1 THR A 159 8.396 -0.150 3.301 1.00 24.01 H new ATOM 0 HG21 THR A 159 9.782 -2.249 5.662 1.00 34.23 H new ATOM 0 HG22 THR A 159 11.029 -1.134 6.269 1.00 34.23 H new ATOM 0 HG23 THR A 159 9.325 -0.896 6.724 1.00 34.23 H new ATOM 2590 N THR A 160 12.472 1.219 4.511 1.00 72.00 N ATOM 2591 CA THR A 160 13.908 1.329 4.800 1.00 15.14 C ATOM 2592 C THR A 160 14.275 2.737 5.297 1.00 23.23 C ATOM 2593 O THR A 160 14.926 2.888 6.333 1.00 12.20 O ATOM 2594 CB THR A 160 14.770 0.998 3.556 1.00 12.25 C ATOM 2595 OG1 THR A 160 14.438 -0.308 3.053 1.00 23.21 O ATOM 2596 CG2 THR A 160 16.259 1.049 3.891 1.00 21.21 C ATOM 0 H THR A 160 12.251 1.082 3.525 1.00 72.00 H new ATOM 0 HA THR A 160 14.120 0.602 5.584 1.00 15.14 H new ATOM 0 HB THR A 160 14.557 1.747 2.793 1.00 12.25 H new ATOM 0 HG1 THR A 160 13.563 -0.276 2.612 1.00 23.21 H new ATOM 0 HG21 THR A 160 16.841 0.813 3.000 1.00 21.21 H new ATOM 0 HG22 THR A 160 16.519 2.048 4.240 1.00 21.21 H new ATOM 0 HG23 THR A 160 16.481 0.322 4.673 1.00 21.21 H new ATOM 2604 N THR A 161 13.846 3.760 4.553 1.00 30.23 N ATOM 2605 CA THR A 161 14.140 5.163 4.891 1.00 63.04 C ATOM 2606 C THR A 161 13.720 5.507 6.329 1.00 75.14 C ATOM 2607 O THR A 161 14.515 6.038 7.112 1.00 23.21 O ATOM 2608 CB THR A 161 13.437 6.141 3.908 1.00 52.54 C ATOM 2609 OG1 THR A 161 13.872 5.883 2.566 1.00 73.45 O ATOM 2610 CG2 THR A 161 13.732 7.596 4.262 1.00 31.21 C ATOM 0 H THR A 161 13.290 3.645 3.706 1.00 30.23 H new ATOM 0 HA THR A 161 15.220 5.279 4.805 1.00 63.04 H new ATOM 0 HB THR A 161 12.362 5.977 3.989 1.00 52.54 H new ATOM 0 HG1 THR A 161 13.587 6.618 1.983 1.00 73.45 H new ATOM 0 HG21 THR A 161 13.225 8.252 3.555 1.00 31.21 H new ATOM 0 HG22 THR A 161 13.375 7.805 5.271 1.00 31.21 H new ATOM 0 HG23 THR A 161 14.807 7.771 4.214 1.00 31.21 H new ATOM 2618 N ILE A 162 12.473 5.193 6.672 1.00 15.42 N ATOM 2619 CA ILE A 162 11.949 5.472 8.015 1.00 51.11 C ATOM 2620 C ILE A 162 12.731 4.709 9.099 1.00 52.31 C ATOM 2621 O ILE A 162 13.131 5.289 10.106 1.00 70.41 O ATOM 2622 CB ILE A 162 10.439 5.124 8.115 1.00 40.41 C ATOM 2623 CG1 ILE A 162 9.632 5.982 7.121 1.00 61.31 C ATOM 2624 CG2 ILE A 162 9.922 5.315 9.545 1.00 71.20 C ATOM 2625 CD1 ILE A 162 8.147 5.688 7.119 1.00 32.11 C ATOM 0 H ILE A 162 11.805 4.746 6.044 1.00 15.42 H new ATOM 0 HA ILE A 162 12.075 6.541 8.186 1.00 51.11 H new ATOM 0 HB ILE A 162 10.310 4.073 7.855 1.00 40.41 H new ATOM 0 HG12 ILE A 162 9.783 7.035 7.359 1.00 61.31 H new ATOM 0 HG13 ILE A 162 10.025 5.823 6.117 1.00 61.31 H new ATOM 0 HG21 ILE A 162 8.862 5.064 9.585 1.00 71.20 H new ATOM 0 HG22 ILE A 162 10.475 4.664 10.222 1.00 71.20 H new ATOM 0 HG23 ILE A 162 10.061 6.353 9.846 1.00 71.20 H new ATOM 0 HD11 ILE A 162 7.650 6.332 6.394 1.00 32.11 H new ATOM 0 HD12 ILE A 162 7.983 4.645 6.850 1.00 32.11 H new ATOM 0 HD13 ILE A 162 7.738 5.875 8.112 1.00 32.11 H new ATOM 2637 N ASN A 163 12.963 3.416 8.873 1.00 50.43 N ATOM 2638 CA ASN A 163 13.697 2.575 9.831 1.00 12.55 C ATOM 2639 C ASN A 163 15.112 3.109 10.122 1.00 4.12 C ATOM 2640 O ASN A 163 15.493 3.271 11.281 1.00 21.15 O ATOM 2641 CB ASN A 163 13.771 1.129 9.319 1.00 52.02 C ATOM 2642 CG ASN A 163 12.441 0.409 9.447 1.00 41.20 C ATOM 2643 OD1 ASN A 163 11.675 0.655 10.366 1.00 53.24 O ATOM 2644 ND2 ASN A 163 12.151 -0.482 8.523 1.00 73.13 N ATOM 0 H ASN A 163 12.655 2.923 8.035 1.00 50.43 H new ATOM 0 HA ASN A 163 13.145 2.602 10.770 1.00 12.55 H new ATOM 0 HB2 ASN A 163 14.083 1.130 8.275 1.00 52.02 H new ATOM 0 HB3 ASN A 163 14.532 0.585 9.878 1.00 52.02 H new ATOM 0 HD21 ASN A 163 11.266 -0.988 8.563 1.00 73.13 H new ATOM 0 HD22 ASN A 163 12.811 -0.666 7.767 1.00 73.13 H new ATOM 2651 N THR A 164 15.889 3.392 9.075 1.00 25.44 N ATOM 2652 CA THR A 164 17.266 3.882 9.259 1.00 2.04 C ATOM 2653 C THR A 164 17.298 5.272 9.915 1.00 64.13 C ATOM 2654 O THR A 164 18.251 5.607 10.616 1.00 64.32 O ATOM 2655 CB THR A 164 18.067 3.929 7.930 1.00 2.11 C ATOM 2656 OG1 THR A 164 19.398 4.421 8.167 1.00 24.34 O ATOM 2657 CG2 THR A 164 17.384 4.808 6.891 1.00 64.11 C ATOM 0 H THR A 164 15.599 3.294 8.102 1.00 25.44 H new ATOM 0 HA THR A 164 17.743 3.161 9.923 1.00 2.04 H new ATOM 0 HB THR A 164 18.112 2.911 7.542 1.00 2.11 H new ATOM 0 HG1 THR A 164 19.893 4.444 7.322 1.00 24.34 H new ATOM 0 HG21 THR A 164 17.975 4.815 5.975 1.00 64.11 H new ATOM 0 HG22 THR A 164 16.390 4.414 6.678 1.00 64.11 H new ATOM 0 HG23 THR A 164 17.297 5.825 7.275 1.00 64.11 H new ATOM 2665 N ASN A 165 16.258 6.077 9.686 1.00 21.35 N ATOM 2666 CA ASN A 165 16.165 7.413 10.295 1.00 13.24 C ATOM 2667 C ASN A 165 15.221 7.433 11.513 1.00 71.31 C ATOM 2668 O ASN A 165 14.914 8.501 12.040 1.00 52.15 O ATOM 2669 CB ASN A 165 15.693 8.440 9.255 1.00 74.12 C ATOM 2670 CG ASN A 165 16.732 8.701 8.179 1.00 11.40 C ATOM 2671 OD1 ASN A 165 17.594 9.557 8.329 1.00 14.20 O ATOM 2672 ND2 ASN A 165 16.657 7.975 7.084 1.00 41.42 N ATOM 0 H ASN A 165 15.470 5.832 9.087 1.00 21.35 H new ATOM 0 HA ASN A 165 17.163 7.677 10.645 1.00 13.24 H new ATOM 0 HB2 ASN A 165 14.774 8.084 8.789 1.00 74.12 H new ATOM 0 HB3 ASN A 165 15.453 9.377 9.758 1.00 74.12 H new ATOM 0 HD21 ASN A 165 17.329 8.118 6.330 1.00 41.42 H new ATOM 0 HD22 ASN A 165 15.927 7.269 6.989 1.00 41.42 H new ATOM 2679 N ALA A 166 14.783 6.255 11.971 1.00 71.44 N ATOM 2680 CA ALA A 166 13.825 6.152 13.087 1.00 4.03 C ATOM 2681 C ALA A 166 14.290 6.924 14.333 1.00 43.51 C ATOM 2682 O ALA A 166 13.516 7.668 14.937 1.00 61.23 O ATOM 2683 CB ALA A 166 13.573 4.687 13.436 1.00 11.44 C ATOM 0 H ALA A 166 15.075 5.356 11.588 1.00 71.44 H new ATOM 0 HA ALA A 166 12.894 6.610 12.754 1.00 4.03 H new ATOM 0 HB1 ALA A 166 12.864 4.626 14.262 1.00 11.44 H new ATOM 0 HB2 ALA A 166 13.164 4.171 12.567 1.00 11.44 H new ATOM 0 HB3 ALA A 166 14.511 4.216 13.729 1.00 11.44 H new ATOM 2689 N GLU A 167 15.559 6.748 14.703 1.00 21.41 N ATOM 2690 CA GLU A 167 16.138 7.436 15.869 1.00 61.54 C ATOM 2691 C GLU A 167 16.107 8.967 15.711 1.00 44.31 C ATOM 2692 O GLU A 167 16.109 9.707 16.698 1.00 14.31 O ATOM 2693 CB GLU A 167 17.583 6.964 16.103 1.00 23.34 C ATOM 2694 CG GLU A 167 18.499 7.126 14.888 1.00 41.43 C ATOM 2695 CD GLU A 167 19.958 6.817 15.203 1.00 42.44 C ATOM 2696 OE1 GLU A 167 20.328 5.625 15.244 1.00 1.22 O ATOM 2697 OE2 GLU A 167 20.737 7.768 15.424 1.00 31.14 O ATOM 0 H GLU A 167 16.211 6.134 14.214 1.00 21.41 H new ATOM 0 HA GLU A 167 15.525 7.179 16.733 1.00 61.54 H new ATOM 0 HB2 GLU A 167 18.005 7.522 16.939 1.00 23.34 H new ATOM 0 HB3 GLU A 167 17.568 5.914 16.395 1.00 23.34 H new ATOM 0 HG2 GLU A 167 18.157 6.467 14.090 1.00 41.43 H new ATOM 0 HG3 GLU A 167 18.421 8.147 14.514 1.00 41.43 H new ATOM 2704 N ALA A 168 16.086 9.434 14.465 1.00 53.23 N ATOM 2705 CA ALA A 168 16.030 10.871 14.175 1.00 13.50 C ATOM 2706 C ALA A 168 14.578 11.367 14.105 1.00 4.33 C ATOM 2707 O ALA A 168 14.272 12.480 14.532 1.00 2.44 O ATOM 2708 CB ALA A 168 16.761 11.170 12.869 1.00 32.35 C ATOM 0 H ALA A 168 16.107 8.840 13.636 1.00 53.23 H new ATOM 0 HA ALA A 168 16.525 11.403 14.988 1.00 13.50 H new ATOM 0 HB1 ALA A 168 16.714 12.239 12.662 1.00 32.35 H new ATOM 0 HB2 ALA A 168 17.803 10.863 12.957 1.00 32.35 H new ATOM 0 HB3 ALA A 168 16.289 10.622 12.054 1.00 32.35 H new ATOM 2714 N LEU A 169 13.692 10.531 13.570 1.00 4.33 N ATOM 2715 CA LEU A 169 12.273 10.880 13.428 1.00 13.01 C ATOM 2716 C LEU A 169 11.559 10.916 14.787 1.00 14.21 C ATOM 2717 O LEU A 169 10.934 11.914 15.151 1.00 62.44 O ATOM 2718 CB LEU A 169 11.569 9.867 12.512 1.00 1.15 C ATOM 2719 CG LEU A 169 12.100 9.799 11.071 1.00 21.44 C ATOM 2720 CD1 LEU A 169 11.414 8.680 10.295 1.00 54.31 C ATOM 2721 CD2 LEU A 169 11.913 11.140 10.364 1.00 15.44 C ATOM 0 H LEU A 169 13.929 9.601 13.225 1.00 4.33 H new ATOM 0 HA LEU A 169 12.224 11.876 12.988 1.00 13.01 H new ATOM 0 HB2 LEU A 169 11.655 8.877 12.960 1.00 1.15 H new ATOM 0 HB3 LEU A 169 10.507 10.110 12.479 1.00 1.15 H new ATOM 0 HG LEU A 169 13.167 9.580 11.111 1.00 21.44 H new ATOM 0 HD11 LEU A 169 11.805 8.650 9.278 1.00 54.31 H new ATOM 0 HD12 LEU A 169 11.606 7.726 10.786 1.00 54.31 H new ATOM 0 HD13 LEU A 169 10.340 8.863 10.266 1.00 54.31 H new ATOM 0 HD21 LEU A 169 12.295 11.071 9.346 1.00 15.44 H new ATOM 0 HD22 LEU A 169 10.853 11.393 10.337 1.00 15.44 H new ATOM 0 HD23 LEU A 169 12.457 11.915 10.904 1.00 15.44 H new ATOM 2733 N PHE A 170 11.661 9.821 15.534 1.00 22.12 N ATOM 2734 CA PHE A 170 10.955 9.679 16.810 1.00 41.30 C ATOM 2735 C PHE A 170 11.896 9.932 17.995 1.00 10.23 C ATOM 2736 O PHE A 170 12.893 9.233 18.175 1.00 55.43 O ATOM 2737 CB PHE A 170 10.343 8.276 16.911 1.00 52.31 C ATOM 2738 CG PHE A 170 9.587 7.862 15.672 1.00 4.33 C ATOM 2739 CD1 PHE A 170 8.339 8.399 15.392 1.00 54.45 C ATOM 2740 CD2 PHE A 170 10.133 6.946 14.781 1.00 25.10 C ATOM 2741 CE1 PHE A 170 7.653 8.030 14.251 1.00 71.24 C ATOM 2742 CE2 PHE A 170 9.449 6.576 13.639 1.00 50.12 C ATOM 2743 CZ PHE A 170 8.207 7.118 13.375 1.00 12.22 C ATOM 0 H PHE A 170 12.228 9.013 15.279 1.00 22.12 H new ATOM 0 HA PHE A 170 10.160 10.424 16.847 1.00 41.30 H new ATOM 0 HB2 PHE A 170 11.137 7.554 17.101 1.00 52.31 H new ATOM 0 HB3 PHE A 170 9.669 8.242 17.767 1.00 52.31 H new ATOM 0 HD1 PHE A 170 7.899 9.113 16.073 1.00 54.45 H new ATOM 0 HD2 PHE A 170 11.104 6.518 14.984 1.00 25.10 H new ATOM 0 HE1 PHE A 170 6.682 8.455 14.044 1.00 71.24 H new ATOM 0 HE2 PHE A 170 9.885 5.864 12.954 1.00 50.12 H new ATOM 0 HZ PHE A 170 7.669 6.829 12.484 1.00 12.22 H new ATOM 2753 N ARG A 171 11.572 10.934 18.802 1.00 71.44 N ATOM 2754 CA ARG A 171 12.399 11.293 19.957 1.00 73.33 C ATOM 2755 C ARG A 171 11.989 10.489 21.209 1.00 65.00 C ATOM 2756 O ARG A 171 10.872 10.630 21.705 1.00 22.15 O ATOM 2757 CB ARG A 171 12.277 12.798 20.241 1.00 32.45 C ATOM 2758 CG ARG A 171 13.259 13.315 21.288 1.00 74.22 C ATOM 2759 CD ARG A 171 14.693 13.347 20.760 1.00 44.25 C ATOM 2760 NE ARG A 171 14.939 14.512 19.909 1.00 4.13 N ATOM 2761 CZ ARG A 171 15.596 14.484 18.778 1.00 2.33 C ATOM 2762 NH1 ARG A 171 15.981 13.361 18.264 1.00 11.13 N ATOM 2763 NH2 ARG A 171 15.845 15.586 18.149 1.00 43.55 N ATOM 0 H ARG A 171 10.743 11.516 18.682 1.00 71.44 H new ATOM 0 HA ARG A 171 13.435 11.050 19.720 1.00 73.33 H new ATOM 0 HB2 ARG A 171 12.431 13.346 19.312 1.00 32.45 H new ATOM 0 HB3 ARG A 171 11.261 13.013 20.573 1.00 32.45 H new ATOM 0 HG2 ARG A 171 12.964 14.318 21.598 1.00 74.22 H new ATOM 0 HG3 ARG A 171 13.212 12.681 22.173 1.00 74.22 H new ATOM 0 HD2 ARG A 171 15.388 13.358 21.600 1.00 44.25 H new ATOM 0 HD3 ARG A 171 14.891 12.437 20.194 1.00 44.25 H new ATOM 0 HE ARG A 171 14.572 15.411 20.220 1.00 4.13 H new ATOM 0 HH11 ARG A 171 15.773 12.484 18.741 1.00 11.13 H new ATOM 0 HH12 ARG A 171 16.493 13.353 17.382 1.00 11.13 H new ATOM 0 HH21 ARG A 171 15.529 16.476 18.535 1.00 43.55 H new ATOM 0 HH22 ARG A 171 16.357 15.565 17.267 1.00 43.55 H new