USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 940 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 110 THR OG1 : rot -111:sc= 0.773 USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 0.668 USER MOD Set 2.1: A 48 GLN : amide:sc= -1.03 K(o=0.97,f=-2) USER MOD Set 2.2: A 49 GLN : amide:sc= 0.94 K(o=0.97,f=-2) USER MOD Set 2.3: A 54 HIS : no HE2:sc= 1.07 K(o=0.97,f=-6.9!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc=-0.00374 USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= -0.0107 (180deg=-0.174) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.153 F(o=-1.9!,f=-0.15) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.417 K(o=0.42,f=-4.5!) USER MOD Single : A 79 LYS NZ :NH3+ -167:sc=-0.00238 (180deg=-0.111) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 75:sc= 1.28 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 21:sc= 1.12 USER MOD Single : A 96 THR OG1 : rot 140:sc= 0.657 USER MOD Single : A 99 MET CE :methyl -161:sc= -2.15! (180deg=-2.29) USER MOD Single : A 104 THR OG1 : rot 61:sc= 1.28 USER MOD Single : A 108 SER OG : rot 32:sc= 1.27 USER MOD Single : A 122 ASN : amide:sc= -0.998 K(o=-1,f=-3.7!) USER MOD Single : A 130 HIS : no HE2:sc= -0.125 K(o=-0.12,f=-4.4!) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN :FLIP amide:sc= -0.0597 F(o=-2,f=-0.06) USER MOD Single : A 142 GLN : amide:sc= -1.04 X(o=-1,f=-0.98) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -8.017 5.506 -4.563 1.00 33.13 N ATOM 240 CA ALA A 18 -6.860 4.863 -5.127 1.00 23.43 C ATOM 241 C ALA A 18 -6.306 5.707 -6.264 1.00 23.14 C ATOM 242 O ALA A 18 -7.023 6.022 -7.228 1.00 42.24 O ATOM 243 CB ALA A 18 -7.218 3.466 -5.596 1.00 64.22 C ATOM 0 HA ALA A 18 -6.086 4.771 -4.365 1.00 23.43 H new ATOM 0 HB1 ALA A 18 -6.336 2.988 -6.021 1.00 64.22 H new ATOM 0 HB2 ALA A 18 -7.577 2.879 -4.750 1.00 64.22 H new ATOM 0 HB3 ALA A 18 -7.999 3.526 -6.354 1.00 64.22 H new ATOM 249 N GLY A 19 -5.049 6.057 -6.164 1.00 73.41 N ATOM 250 CA GLY A 19 -4.448 6.917 -7.124 1.00 72.14 C ATOM 251 C GLY A 19 -3.615 6.171 -8.111 1.00 12.01 C ATOM 252 O GLY A 19 -4.146 5.506 -8.992 1.00 43.14 O ATOM 0 H GLY A 19 -4.426 5.751 -5.417 1.00 73.41 H new ATOM 0 HA2 GLY A 19 -5.226 7.468 -7.652 1.00 72.14 H new ATOM 0 HA3 GLY A 19 -3.828 7.653 -6.612 1.00 72.14 H new ATOM 256 N ASP A 20 -2.324 6.238 -7.968 1.00 31.43 N ATOM 257 CA ASP A 20 -1.449 5.619 -8.935 1.00 52.14 C ATOM 258 C ASP A 20 -0.620 4.515 -8.309 1.00 31.55 C ATOM 259 O ASP A 20 -0.133 4.651 -7.184 1.00 64.24 O ATOM 260 CB ASP A 20 -0.565 6.669 -9.612 1.00 24.51 C ATOM 261 CG ASP A 20 0.303 6.096 -10.710 1.00 52.11 C ATOM 262 OD1 ASP A 20 -0.205 5.289 -11.528 1.00 72.34 O ATOM 263 OD2 ASP A 20 1.499 6.454 -10.798 1.00 74.34 O ATOM 0 H ASP A 20 -1.850 6.711 -7.198 1.00 31.43 H new ATOM 0 HA ASP A 20 -2.070 5.156 -9.702 1.00 52.14 H new ATOM 0 HB2 ASP A 20 -1.197 7.453 -10.029 1.00 24.51 H new ATOM 0 HB3 ASP A 20 0.071 7.138 -8.861 1.00 24.51 H new ATOM 268 N ASP A 21 -0.508 3.419 -9.027 1.00 21.13 N ATOM 269 CA ASP A 21 0.253 2.250 -8.594 1.00 14.42 C ATOM 270 C ASP A 21 1.742 2.454 -8.827 1.00 25.10 C ATOM 271 O ASP A 21 2.149 3.045 -9.835 1.00 72.41 O ATOM 272 CB ASP A 21 -0.248 0.994 -9.316 1.00 75.01 C ATOM 273 CG ASP A 21 0.602 -0.237 -9.059 1.00 54.34 C ATOM 274 OD1 ASP A 21 1.102 -0.414 -7.923 1.00 4.41 O ATOM 275 OD2 ASP A 21 0.809 -1.020 -10.021 1.00 44.35 O ATOM 0 H ASP A 21 -0.946 3.305 -9.941 1.00 21.13 H new ATOM 0 HA ASP A 21 0.100 2.116 -7.523 1.00 14.42 H new ATOM 0 HB2 ASP A 21 -1.272 0.790 -9.003 1.00 75.01 H new ATOM 0 HB3 ASP A 21 -0.275 1.188 -10.388 1.00 75.01 H new ATOM 280 N VAL A 22 2.541 1.956 -7.915 1.00 40.13 N ATOM 281 CA VAL A 22 3.968 2.149 -7.950 1.00 31.42 C ATOM 282 C VAL A 22 4.700 0.811 -8.195 1.00 0.42 C ATOM 283 O VAL A 22 5.875 0.799 -8.576 1.00 51.15 O ATOM 284 CB VAL A 22 4.473 2.848 -6.638 1.00 43.13 C ATOM 285 CG1 VAL A 22 5.977 3.080 -6.652 1.00 63.24 C ATOM 286 CG2 VAL A 22 3.754 4.174 -6.434 1.00 75.34 C ATOM 0 H VAL A 22 2.216 1.402 -7.123 1.00 40.13 H new ATOM 0 HA VAL A 22 4.200 2.810 -8.785 1.00 31.42 H new ATOM 0 HB VAL A 22 4.247 2.175 -5.811 1.00 43.13 H new ATOM 0 HG11 VAL A 22 6.279 3.566 -5.724 1.00 63.24 H new ATOM 0 HG12 VAL A 22 6.492 2.124 -6.745 1.00 63.24 H new ATOM 0 HG13 VAL A 22 6.239 3.717 -7.497 1.00 63.24 H new ATOM 0 HG21 VAL A 22 4.115 4.647 -5.520 1.00 75.34 H new ATOM 0 HG22 VAL A 22 3.950 4.829 -7.283 1.00 75.34 H new ATOM 0 HG23 VAL A 22 2.682 3.998 -6.352 1.00 75.34 H new ATOM 296 N LEU A 23 4.020 -0.313 -8.035 1.00 12.13 N ATOM 297 CA LEU A 23 4.698 -1.567 -8.285 1.00 14.41 C ATOM 298 C LEU A 23 4.638 -1.955 -9.761 1.00 35.12 C ATOM 299 O LEU A 23 4.052 -1.236 -10.584 1.00 30.12 O ATOM 300 CB LEU A 23 4.320 -2.728 -7.295 1.00 14.21 C ATOM 301 CG LEU A 23 2.837 -3.071 -7.018 1.00 0.22 C ATOM 302 CD1 LEU A 23 2.115 -3.493 -8.261 1.00 74.24 C ATOM 303 CD2 LEU A 23 2.743 -4.187 -5.997 1.00 24.22 C ATOM 0 H LEU A 23 3.044 -0.382 -7.747 1.00 12.13 H new ATOM 0 HA LEU A 23 5.749 -1.390 -8.055 1.00 14.41 H new ATOM 0 HB2 LEU A 23 4.796 -3.635 -7.666 1.00 14.21 H new ATOM 0 HB3 LEU A 23 4.781 -2.496 -6.335 1.00 14.21 H new ATOM 0 HG LEU A 23 2.365 -2.165 -6.637 1.00 0.22 H new ATOM 0 HD11 LEU A 23 1.078 -3.724 -8.019 1.00 74.24 H new ATOM 0 HD12 LEU A 23 2.146 -2.685 -8.992 1.00 74.24 H new ATOM 0 HD13 LEU A 23 2.596 -4.378 -8.678 1.00 74.24 H new ATOM 0 HD21 LEU A 23 1.695 -4.421 -5.809 1.00 24.22 H new ATOM 0 HD22 LEU A 23 3.250 -5.073 -6.379 1.00 24.22 H new ATOM 0 HD23 LEU A 23 3.216 -3.871 -5.068 1.00 24.22 H new ATOM 315 N ASP A 24 5.291 -3.019 -10.116 1.00 73.21 N ATOM 316 CA ASP A 24 5.295 -3.474 -11.494 1.00 54.44 C ATOM 317 C ASP A 24 4.026 -4.277 -11.760 1.00 42.23 C ATOM 318 O ASP A 24 3.565 -4.994 -10.879 1.00 5.33 O ATOM 319 CB ASP A 24 6.552 -4.313 -11.782 1.00 44.00 C ATOM 320 CG ASP A 24 6.654 -4.743 -13.223 1.00 43.41 C ATOM 321 OD1 ASP A 24 7.217 -3.977 -14.043 1.00 65.21 O ATOM 322 OD2 ASP A 24 6.186 -5.843 -13.567 1.00 62.34 O ATOM 0 H ASP A 24 5.834 -3.598 -9.476 1.00 73.21 H new ATOM 0 HA ASP A 24 5.315 -2.613 -12.162 1.00 54.44 H new ATOM 0 HB2 ASP A 24 7.437 -3.734 -11.517 1.00 44.00 H new ATOM 0 HB3 ASP A 24 6.547 -5.197 -11.144 1.00 44.00 H new ATOM 327 N PRO A 25 3.401 -4.136 -12.951 1.00 63.45 N ATOM 328 CA PRO A 25 2.172 -4.866 -13.303 1.00 4.03 C ATOM 329 C PRO A 25 2.244 -6.388 -13.062 1.00 72.43 C ATOM 330 O PRO A 25 1.242 -7.005 -12.691 1.00 25.53 O ATOM 331 CB PRO A 25 1.981 -4.564 -14.785 1.00 31.25 C ATOM 332 CG PRO A 25 2.631 -3.241 -14.982 1.00 71.54 C ATOM 333 CD PRO A 25 3.793 -3.197 -14.030 1.00 71.30 C ATOM 0 HA PRO A 25 1.344 -4.545 -12.671 1.00 4.03 H new ATOM 0 HB2 PRO A 25 2.442 -5.330 -15.409 1.00 31.25 H new ATOM 0 HB3 PRO A 25 0.924 -4.531 -15.050 1.00 31.25 H new ATOM 0 HG2 PRO A 25 2.967 -3.122 -16.012 1.00 71.54 H new ATOM 0 HG3 PRO A 25 1.931 -2.430 -14.780 1.00 71.54 H new ATOM 0 HD2 PRO A 25 4.719 -3.508 -14.514 1.00 71.30 H new ATOM 0 HD3 PRO A 25 3.957 -2.191 -13.645 1.00 71.30 H new ATOM 341 N ASP A 26 3.420 -6.978 -13.214 1.00 35.04 N ATOM 342 CA ASP A 26 3.554 -8.425 -13.031 1.00 54.42 C ATOM 343 C ASP A 26 3.679 -8.849 -11.595 1.00 13.01 C ATOM 344 O ASP A 26 3.608 -10.050 -11.297 1.00 60.33 O ATOM 345 CB ASP A 26 4.654 -9.055 -13.877 1.00 11.33 C ATOM 346 CG ASP A 26 4.201 -9.349 -15.278 1.00 13.34 C ATOM 347 OD1 ASP A 26 3.447 -10.329 -15.482 1.00 35.44 O ATOM 348 OD2 ASP A 26 4.602 -8.629 -16.216 1.00 4.11 O ATOM 0 H ASP A 26 4.283 -6.493 -13.459 1.00 35.04 H new ATOM 0 HA ASP A 26 2.604 -8.814 -13.398 1.00 54.42 H new ATOM 0 HB2 ASP A 26 5.513 -8.385 -13.909 1.00 11.33 H new ATOM 0 HB3 ASP A 26 4.988 -9.979 -13.405 1.00 11.33 H new ATOM 353 N GLU A 27 3.860 -7.892 -10.696 1.00 13.22 N ATOM 354 CA GLU A 27 3.891 -8.201 -9.279 1.00 42.41 C ATOM 355 C GLU A 27 2.503 -8.680 -8.877 1.00 22.32 C ATOM 356 O GLU A 27 1.496 -8.111 -9.338 1.00 1.31 O ATOM 357 CB GLU A 27 4.280 -6.975 -8.441 1.00 20.01 C ATOM 358 CG GLU A 27 5.676 -6.435 -8.710 1.00 75.03 C ATOM 359 CD GLU A 27 6.783 -7.372 -8.292 1.00 31.43 C ATOM 360 OE1 GLU A 27 7.140 -8.277 -9.069 1.00 0.12 O ATOM 361 OE2 GLU A 27 7.336 -7.199 -7.177 1.00 0.34 O ATOM 0 H GLU A 27 3.986 -6.905 -10.922 1.00 13.22 H new ATOM 0 HA GLU A 27 4.641 -8.970 -9.095 1.00 42.41 H new ATOM 0 HB2 GLU A 27 3.557 -6.181 -8.627 1.00 20.01 H new ATOM 0 HB3 GLU A 27 4.204 -7.235 -7.385 1.00 20.01 H new ATOM 0 HG2 GLU A 27 5.775 -6.223 -9.775 1.00 75.03 H new ATOM 0 HG3 GLU A 27 5.797 -5.488 -8.184 1.00 75.03 H new ATOM 368 N PRO A 28 2.419 -9.751 -8.079 1.00 33.31 N ATOM 369 CA PRO A 28 1.146 -10.324 -7.639 1.00 52.04 C ATOM 370 C PRO A 28 0.216 -9.278 -6.996 1.00 5.22 C ATOM 371 O PRO A 28 0.636 -8.463 -6.151 1.00 4.45 O ATOM 372 CB PRO A 28 1.577 -11.372 -6.612 1.00 53.31 C ATOM 373 CG PRO A 28 2.946 -11.759 -7.019 1.00 60.42 C ATOM 374 CD PRO A 28 3.573 -10.511 -7.552 1.00 72.43 C ATOM 0 HA PRO A 28 0.569 -10.730 -8.470 1.00 52.04 H new ATOM 0 HB2 PRO A 28 1.565 -10.964 -5.601 1.00 53.31 H new ATOM 0 HB3 PRO A 28 0.905 -12.230 -6.617 1.00 53.31 H new ATOM 0 HG2 PRO A 28 3.511 -12.151 -6.173 1.00 60.42 H new ATOM 0 HG3 PRO A 28 2.923 -12.541 -7.778 1.00 60.42 H new ATOM 0 HD2 PRO A 28 4.096 -9.959 -6.772 1.00 72.43 H new ATOM 0 HD3 PRO A 28 4.302 -10.728 -8.332 1.00 72.43 H new ATOM 382 N THR A 29 -1.030 -9.295 -7.394 1.00 34.41 N ATOM 383 CA THR A 29 -2.006 -8.355 -6.909 1.00 63.40 C ATOM 384 C THR A 29 -3.296 -9.064 -6.499 1.00 41.13 C ATOM 385 O THR A 29 -3.457 -10.266 -6.719 1.00 12.05 O ATOM 386 CB THR A 29 -2.314 -7.262 -7.972 1.00 25.14 C ATOM 387 OG1 THR A 29 -2.529 -7.867 -9.259 1.00 25.43 O ATOM 388 CG2 THR A 29 -1.196 -6.229 -8.063 1.00 32.32 C ATOM 0 H THR A 29 -1.398 -9.966 -8.068 1.00 34.41 H new ATOM 0 HA THR A 29 -1.580 -7.871 -6.030 1.00 63.40 H new ATOM 0 HB THR A 29 -3.221 -6.745 -7.658 1.00 25.14 H new ATOM 0 HG1 THR A 29 -2.724 -7.170 -9.920 1.00 25.43 H new ATOM 0 HG21 THR A 29 -1.450 -5.483 -8.817 1.00 32.32 H new ATOM 0 HG22 THR A 29 -1.072 -5.741 -7.096 1.00 32.32 H new ATOM 0 HG23 THR A 29 -0.265 -6.724 -8.341 1.00 32.32 H new ATOM 396 N TYR A 30 -4.140 -8.330 -5.837 1.00 3.25 N ATOM 397 CA TYR A 30 -5.456 -8.745 -5.423 1.00 15.12 C ATOM 398 C TYR A 30 -6.435 -7.684 -5.821 1.00 13.41 C ATOM 399 O TYR A 30 -6.047 -6.560 -6.090 1.00 73.35 O ATOM 400 CB TYR A 30 -5.557 -8.969 -3.914 1.00 63.33 C ATOM 401 CG TYR A 30 -4.877 -10.207 -3.403 1.00 43.21 C ATOM 402 CD1 TYR A 30 -5.135 -11.443 -3.977 1.00 33.14 C ATOM 403 CD2 TYR A 30 -3.994 -10.147 -2.345 1.00 61.31 C ATOM 404 CE1 TYR A 30 -4.530 -12.581 -3.513 1.00 71.54 C ATOM 405 CE2 TYR A 30 -3.382 -11.282 -1.868 1.00 53.14 C ATOM 406 CZ TYR A 30 -3.653 -12.501 -2.457 1.00 31.20 C ATOM 407 OH TYR A 30 -3.041 -13.641 -1.985 1.00 25.35 O ATOM 0 H TYR A 30 -3.922 -7.375 -5.554 1.00 3.25 H new ATOM 0 HA TYR A 30 -5.673 -9.696 -5.909 1.00 15.12 H new ATOM 0 HB2 TYR A 30 -5.131 -8.104 -3.405 1.00 63.33 H new ATOM 0 HB3 TYR A 30 -6.611 -9.013 -3.639 1.00 63.33 H new ATOM 0 HD1 TYR A 30 -5.825 -11.509 -4.805 1.00 33.14 H new ATOM 0 HD2 TYR A 30 -3.780 -9.194 -1.884 1.00 61.31 H new ATOM 0 HE1 TYR A 30 -4.740 -13.535 -3.974 1.00 71.54 H new ATOM 0 HE2 TYR A 30 -2.694 -11.220 -1.038 1.00 53.14 H new ATOM 0 HH TYR A 30 -2.451 -13.410 -1.237 1.00 25.35 H new ATOM 417 N ASP A 31 -7.668 -8.030 -5.868 1.00 24.14 N ATOM 418 CA ASP A 31 -8.729 -7.093 -6.146 1.00 42.54 C ATOM 419 C ASP A 31 -9.816 -7.373 -5.141 1.00 15.31 C ATOM 420 O ASP A 31 -9.746 -8.397 -4.468 1.00 4.23 O ATOM 421 CB ASP A 31 -9.243 -7.188 -7.609 1.00 62.12 C ATOM 422 CG ASP A 31 -9.735 -8.566 -8.024 1.00 11.43 C ATOM 423 OD1 ASP A 31 -10.884 -8.925 -7.707 1.00 41.42 O ATOM 424 OD2 ASP A 31 -8.987 -9.300 -8.724 1.00 1.44 O ATOM 0 H ASP A 31 -7.990 -8.986 -5.714 1.00 24.14 H new ATOM 0 HA ASP A 31 -8.367 -6.069 -6.052 1.00 42.54 H new ATOM 0 HB2 ASP A 31 -10.055 -6.473 -7.741 1.00 62.12 H new ATOM 0 HB3 ASP A 31 -8.440 -6.887 -8.282 1.00 62.12 H new ATOM 429 N LEU A 32 -10.783 -6.474 -5.009 1.00 5.31 N ATOM 430 CA LEU A 32 -11.789 -6.519 -3.914 1.00 63.12 C ATOM 431 C LEU A 32 -12.386 -7.912 -3.597 1.00 34.31 C ATOM 432 O LEU A 32 -12.188 -8.418 -2.479 1.00 60.25 O ATOM 433 CB LEU A 32 -12.870 -5.432 -4.049 1.00 61.25 C ATOM 434 CG LEU A 32 -12.445 -3.988 -3.711 1.00 52.15 C ATOM 435 CD1 LEU A 32 -11.917 -3.873 -2.287 1.00 53.43 C ATOM 436 CD2 LEU A 32 -11.444 -3.423 -4.711 1.00 33.51 C ATOM 0 H LEU A 32 -10.906 -5.688 -5.648 1.00 5.31 H new ATOM 0 HA LEU A 32 -11.199 -6.285 -3.028 1.00 63.12 H new ATOM 0 HB2 LEU A 32 -13.241 -5.447 -5.074 1.00 61.25 H new ATOM 0 HB3 LEU A 32 -13.706 -5.701 -3.403 1.00 61.25 H new ATOM 0 HG LEU A 32 -13.347 -3.381 -3.785 1.00 52.15 H new ATOM 0 HD11 LEU A 32 -11.628 -2.841 -2.088 1.00 53.43 H new ATOM 0 HD12 LEU A 32 -12.695 -4.174 -1.585 1.00 53.43 H new ATOM 0 HD13 LEU A 32 -11.049 -4.522 -2.167 1.00 53.43 H new ATOM 0 HD21 LEU A 32 -11.179 -2.405 -4.425 1.00 33.51 H new ATOM 0 HD22 LEU A 32 -10.547 -4.043 -4.718 1.00 33.51 H new ATOM 0 HD23 LEU A 32 -11.888 -3.417 -5.706 1.00 33.51 H new ATOM 448 N PRO A 33 -13.087 -8.583 -4.549 1.00 14.43 N ATOM 449 CA PRO A 33 -13.635 -9.919 -4.296 1.00 14.34 C ATOM 450 C PRO A 33 -12.538 -10.958 -4.023 1.00 63.30 C ATOM 451 O PRO A 33 -12.753 -11.924 -3.284 1.00 15.23 O ATOM 452 CB PRO A 33 -14.396 -10.264 -5.580 1.00 63.22 C ATOM 453 CG PRO A 33 -13.859 -9.344 -6.615 1.00 31.41 C ATOM 454 CD PRO A 33 -13.437 -8.100 -5.903 1.00 22.43 C ATOM 0 HA PRO A 33 -14.266 -9.929 -3.407 1.00 14.34 H new ATOM 0 HB2 PRO A 33 -14.241 -11.306 -5.861 1.00 63.22 H new ATOM 0 HB3 PRO A 33 -15.469 -10.126 -5.450 1.00 63.22 H new ATOM 0 HG2 PRO A 33 -13.016 -9.797 -7.136 1.00 31.41 H new ATOM 0 HG3 PRO A 33 -14.616 -9.122 -7.367 1.00 31.41 H new ATOM 0 HD2 PRO A 33 -12.587 -7.625 -6.393 1.00 22.43 H new ATOM 0 HD3 PRO A 33 -14.239 -7.363 -5.872 1.00 22.43 H new ATOM 462 N ARG A 34 -11.359 -10.753 -4.602 1.00 3.15 N ATOM 463 CA ARG A 34 -10.259 -11.665 -4.401 1.00 61.43 C ATOM 464 C ARG A 34 -9.725 -11.538 -2.965 1.00 31.34 C ATOM 465 O ARG A 34 -9.318 -12.516 -2.354 1.00 22.44 O ATOM 466 CB ARG A 34 -9.147 -11.400 -5.404 1.00 44.42 C ATOM 467 CG ARG A 34 -8.269 -12.602 -5.668 1.00 43.33 C ATOM 468 CD ARG A 34 -9.074 -13.682 -6.370 1.00 35.24 C ATOM 469 NE ARG A 34 -8.265 -14.825 -6.749 1.00 22.24 N ATOM 470 CZ ARG A 34 -7.777 -15.041 -7.982 1.00 73.42 C ATOM 471 NH1 ARG A 34 -7.926 -14.122 -8.939 1.00 15.31 N ATOM 472 NH2 ARG A 34 -7.133 -16.168 -8.245 1.00 61.33 N ATOM 0 H ARG A 34 -11.150 -9.962 -5.212 1.00 3.15 H new ATOM 0 HA ARG A 34 -10.621 -12.682 -4.556 1.00 61.43 H new ATOM 0 HB2 ARG A 34 -9.589 -11.070 -6.344 1.00 44.42 H new ATOM 0 HB3 ARG A 34 -8.527 -10.581 -5.038 1.00 44.42 H new ATOM 0 HG2 ARG A 34 -7.417 -12.313 -6.283 1.00 43.33 H new ATOM 0 HG3 ARG A 34 -7.870 -12.985 -4.729 1.00 43.33 H new ATOM 0 HD2 ARG A 34 -9.879 -14.013 -5.714 1.00 35.24 H new ATOM 0 HD3 ARG A 34 -9.541 -13.261 -7.260 1.00 35.24 H new ATOM 0 HE ARG A 34 -8.051 -15.514 -6.028 1.00 22.24 H new ATOM 0 HH11 ARG A 34 -8.413 -13.249 -8.736 1.00 15.31 H new ATOM 0 HH12 ARG A 34 -7.553 -14.293 -9.873 1.00 15.31 H new ATOM 0 HH21 ARG A 34 -7.009 -16.867 -7.513 1.00 61.33 H new ATOM 0 HH22 ARG A 34 -6.761 -16.337 -9.180 1.00 61.33 H new ATOM 486 N VAL A 35 -9.725 -10.323 -2.438 1.00 74.43 N ATOM 487 CA VAL A 35 -9.284 -10.098 -1.063 1.00 23.11 C ATOM 488 C VAL A 35 -10.298 -10.691 -0.098 1.00 2.52 C ATOM 489 O VAL A 35 -9.933 -11.278 0.930 1.00 70.23 O ATOM 490 CB VAL A 35 -9.038 -8.597 -0.726 1.00 21.12 C ATOM 491 CG1 VAL A 35 -8.529 -8.429 0.703 1.00 71.11 C ATOM 492 CG2 VAL A 35 -8.062 -7.975 -1.698 1.00 44.23 C ATOM 0 H VAL A 35 -10.022 -9.482 -2.933 1.00 74.43 H new ATOM 0 HA VAL A 35 -8.321 -10.596 -0.956 1.00 23.11 H new ATOM 0 HB VAL A 35 -9.995 -8.082 -0.816 1.00 21.12 H new ATOM 0 HG11 VAL A 35 -8.366 -7.371 0.909 1.00 71.11 H new ATOM 0 HG12 VAL A 35 -9.266 -8.826 1.401 1.00 71.11 H new ATOM 0 HG13 VAL A 35 -7.590 -8.970 0.821 1.00 71.11 H new ATOM 0 HG21 VAL A 35 -7.909 -6.927 -1.439 1.00 44.23 H new ATOM 0 HG22 VAL A 35 -7.111 -8.504 -1.647 1.00 44.23 H new ATOM 0 HG23 VAL A 35 -8.462 -8.044 -2.710 1.00 44.23 H new ATOM 502 N ALA A 36 -11.564 -10.560 -0.453 1.00 22.10 N ATOM 503 CA ALA A 36 -12.649 -11.136 0.316 1.00 34.54 C ATOM 504 C ALA A 36 -12.452 -12.646 0.418 1.00 55.30 C ATOM 505 O ALA A 36 -12.647 -13.253 1.476 1.00 74.13 O ATOM 506 CB ALA A 36 -13.981 -10.809 -0.344 1.00 0.42 C ATOM 0 H ALA A 36 -11.867 -10.051 -1.283 1.00 22.10 H new ATOM 0 HA ALA A 36 -12.652 -10.714 1.321 1.00 34.54 H new ATOM 0 HB1 ALA A 36 -14.793 -11.245 0.239 1.00 0.42 H new ATOM 0 HB2 ALA A 36 -14.108 -9.727 -0.391 1.00 0.42 H new ATOM 0 HB3 ALA A 36 -13.998 -11.220 -1.353 1.00 0.42 H new ATOM 512 N GLU A 37 -12.022 -13.220 -0.684 1.00 54.34 N ATOM 513 CA GLU A 37 -11.716 -14.632 -0.797 1.00 31.32 C ATOM 514 C GLU A 37 -10.554 -15.005 0.110 1.00 23.02 C ATOM 515 O GLU A 37 -10.612 -15.984 0.840 1.00 41.01 O ATOM 516 CB GLU A 37 -11.296 -14.900 -2.219 1.00 24.50 C ATOM 517 CG GLU A 37 -11.041 -16.356 -2.547 1.00 42.24 C ATOM 518 CD GLU A 37 -10.581 -16.521 -3.956 1.00 35.01 C ATOM 519 OE1 GLU A 37 -11.442 -16.561 -4.860 1.00 51.24 O ATOM 520 OE2 GLU A 37 -9.358 -16.575 -4.197 1.00 24.54 O ATOM 0 H GLU A 37 -11.871 -12.704 -1.551 1.00 54.34 H new ATOM 0 HA GLU A 37 -12.593 -15.213 -0.513 1.00 31.32 H new ATOM 0 HB2 GLU A 37 -12.070 -14.523 -2.888 1.00 24.50 H new ATOM 0 HB3 GLU A 37 -10.389 -14.332 -2.427 1.00 24.50 H new ATOM 0 HG2 GLU A 37 -10.290 -16.758 -1.867 1.00 42.24 H new ATOM 0 HG3 GLU A 37 -11.953 -16.932 -2.390 1.00 42.24 H new ATOM 527 N LEU A 38 -9.533 -14.191 0.069 1.00 32.23 N ATOM 528 CA LEU A 38 -8.310 -14.418 0.798 1.00 64.23 C ATOM 529 C LEU A 38 -8.539 -14.371 2.301 1.00 43.51 C ATOM 530 O LEU A 38 -8.076 -15.245 3.044 1.00 32.32 O ATOM 531 CB LEU A 38 -7.293 -13.353 0.411 1.00 34.14 C ATOM 532 CG LEU A 38 -5.923 -13.474 1.056 1.00 23.22 C ATOM 533 CD1 LEU A 38 -5.171 -14.676 0.518 1.00 3.34 C ATOM 534 CD2 LEU A 38 -5.136 -12.203 0.862 1.00 35.21 C ATOM 0 H LEU A 38 -9.526 -13.333 -0.483 1.00 32.23 H new ATOM 0 HA LEU A 38 -7.940 -15.411 0.543 1.00 64.23 H new ATOM 0 HB2 LEU A 38 -7.166 -13.376 -0.671 1.00 34.14 H new ATOM 0 HB3 LEU A 38 -7.706 -12.376 0.663 1.00 34.14 H new ATOM 0 HG LEU A 38 -6.060 -13.627 2.126 1.00 23.22 H new ATOM 0 HD11 LEU A 38 -4.194 -14.738 0.997 1.00 3.34 H new ATOM 0 HD12 LEU A 38 -5.737 -15.583 0.729 1.00 3.34 H new ATOM 0 HD13 LEU A 38 -5.041 -14.572 -0.559 1.00 3.34 H new ATOM 0 HD21 LEU A 38 -4.157 -12.306 1.330 1.00 35.21 H new ATOM 0 HD22 LEU A 38 -5.010 -12.012 -0.204 1.00 35.21 H new ATOM 0 HD23 LEU A 38 -5.671 -11.371 1.319 1.00 35.21 H new ATOM 546 N LEU A 39 -9.249 -13.361 2.744 1.00 3.32 N ATOM 547 CA LEU A 39 -9.467 -13.164 4.158 1.00 3.11 C ATOM 548 C LEU A 39 -10.635 -13.968 4.691 1.00 34.33 C ATOM 549 O LEU A 39 -10.730 -14.190 5.890 1.00 64.11 O ATOM 550 CB LEU A 39 -9.619 -11.678 4.490 1.00 30.22 C ATOM 551 CG LEU A 39 -8.401 -10.787 4.196 1.00 63.41 C ATOM 552 CD1 LEU A 39 -8.689 -9.344 4.579 1.00 51.25 C ATOM 553 CD2 LEU A 39 -7.162 -11.295 4.929 1.00 42.45 C ATOM 0 H LEU A 39 -9.687 -12.661 2.145 1.00 3.32 H new ATOM 0 HA LEU A 39 -8.578 -13.540 4.665 1.00 3.11 H new ATOM 0 HB2 LEU A 39 -10.471 -11.288 3.933 1.00 30.22 H new ATOM 0 HB3 LEU A 39 -9.862 -11.587 5.549 1.00 30.22 H new ATOM 0 HG LEU A 39 -8.204 -10.830 3.125 1.00 63.41 H new ATOM 0 HD11 LEU A 39 -7.815 -8.729 4.364 1.00 51.25 H new ATOM 0 HD12 LEU A 39 -9.541 -8.978 4.005 1.00 51.25 H new ATOM 0 HD13 LEU A 39 -8.918 -9.289 5.643 1.00 51.25 H new ATOM 0 HD21 LEU A 39 -6.315 -10.647 4.704 1.00 42.45 H new ATOM 0 HD22 LEU A 39 -7.347 -11.290 6.003 1.00 42.45 H new ATOM 0 HD23 LEU A 39 -6.938 -12.311 4.604 1.00 42.45 H new ATOM 565 N GLY A 40 -11.501 -14.419 3.816 1.00 43.15 N ATOM 566 CA GLY A 40 -12.641 -15.193 4.257 1.00 53.22 C ATOM 567 C GLY A 40 -13.704 -14.312 4.865 1.00 23.23 C ATOM 568 O GLY A 40 -14.400 -14.708 5.811 1.00 22.22 O ATOM 0 H GLY A 40 -11.443 -14.268 2.809 1.00 43.15 H new ATOM 0 HA2 GLY A 40 -13.060 -15.740 3.412 1.00 53.22 H new ATOM 0 HA3 GLY A 40 -12.318 -15.934 4.989 1.00 53.22 H new ATOM 572 N VAL A 41 -13.793 -13.107 4.363 1.00 25.32 N ATOM 573 CA VAL A 41 -14.792 -12.141 4.797 1.00 24.01 C ATOM 574 C VAL A 41 -15.477 -11.544 3.570 1.00 54.04 C ATOM 575 O VAL A 41 -14.954 -11.661 2.475 1.00 41.34 O ATOM 576 CB VAL A 41 -14.175 -10.986 5.663 1.00 21.41 C ATOM 577 CG1 VAL A 41 -13.592 -11.517 6.963 1.00 22.11 C ATOM 578 CG2 VAL A 41 -13.113 -10.213 4.884 1.00 31.42 C ATOM 0 H VAL A 41 -13.172 -12.757 3.634 1.00 25.32 H new ATOM 0 HA VAL A 41 -15.511 -12.669 5.424 1.00 24.01 H new ATOM 0 HB VAL A 41 -14.987 -10.301 5.908 1.00 21.41 H new ATOM 0 HG11 VAL A 41 -13.173 -10.691 7.538 1.00 22.11 H new ATOM 0 HG12 VAL A 41 -14.378 -12.002 7.543 1.00 22.11 H new ATOM 0 HG13 VAL A 41 -12.807 -12.240 6.741 1.00 22.11 H new ATOM 0 HG21 VAL A 41 -12.706 -9.421 5.512 1.00 31.42 H new ATOM 0 HG22 VAL A 41 -12.312 -10.891 4.590 1.00 31.42 H new ATOM 0 HG23 VAL A 41 -13.562 -9.775 3.993 1.00 31.42 H new ATOM 588 N PRO A 42 -16.686 -10.979 3.710 1.00 53.02 N ATOM 589 CA PRO A 42 -17.347 -10.279 2.602 1.00 44.03 C ATOM 590 C PRO A 42 -16.587 -9.001 2.183 1.00 32.35 C ATOM 591 O PRO A 42 -15.806 -8.427 2.972 1.00 54.43 O ATOM 592 CB PRO A 42 -18.725 -9.911 3.167 1.00 62.01 C ATOM 593 CG PRO A 42 -18.560 -9.968 4.648 1.00 2.43 C ATOM 594 CD PRO A 42 -17.544 -11.042 4.906 1.00 12.12 C ATOM 0 HA PRO A 42 -17.393 -10.899 1.707 1.00 44.03 H new ATOM 0 HB2 PRO A 42 -19.033 -8.917 2.842 1.00 62.01 H new ATOM 0 HB3 PRO A 42 -19.490 -10.609 2.828 1.00 62.01 H new ATOM 0 HG2 PRO A 42 -18.223 -9.009 5.041 1.00 2.43 H new ATOM 0 HG3 PRO A 42 -19.506 -10.199 5.138 1.00 2.43 H new ATOM 0 HD2 PRO A 42 -16.979 -10.853 5.819 1.00 12.12 H new ATOM 0 HD3 PRO A 42 -18.010 -12.021 5.017 1.00 12.12 H new ATOM 602 N VAL A 43 -16.858 -8.547 0.962 1.00 41.31 N ATOM 603 CA VAL A 43 -16.210 -7.373 0.351 1.00 13.24 C ATOM 604 C VAL A 43 -16.440 -6.120 1.184 1.00 12.25 C ATOM 605 O VAL A 43 -15.567 -5.253 1.282 1.00 54.13 O ATOM 606 CB VAL A 43 -16.710 -7.144 -1.107 1.00 23.34 C ATOM 607 CG1 VAL A 43 -16.019 -5.948 -1.760 1.00 63.43 C ATOM 608 CG2 VAL A 43 -16.505 -8.393 -1.953 1.00 4.13 C ATOM 0 H VAL A 43 -17.546 -8.988 0.352 1.00 41.31 H new ATOM 0 HA VAL A 43 -15.140 -7.577 0.320 1.00 13.24 H new ATOM 0 HB VAL A 43 -17.777 -6.927 -1.051 1.00 23.34 H new ATOM 0 HG11 VAL A 43 -16.394 -5.821 -2.775 1.00 63.43 H new ATOM 0 HG12 VAL A 43 -16.226 -5.048 -1.181 1.00 63.43 H new ATOM 0 HG13 VAL A 43 -14.943 -6.121 -1.790 1.00 63.43 H new ATOM 0 HG21 VAL A 43 -16.862 -8.209 -2.966 1.00 4.13 H new ATOM 0 HG22 VAL A 43 -15.444 -8.643 -1.981 1.00 4.13 H new ATOM 0 HG23 VAL A 43 -17.062 -9.223 -1.518 1.00 4.13 H new ATOM 618 N SER A 44 -17.590 -6.055 1.801 1.00 13.15 N ATOM 619 CA SER A 44 -17.959 -4.960 2.656 1.00 71.14 C ATOM 620 C SER A 44 -16.947 -4.792 3.802 1.00 35.42 C ATOM 621 O SER A 44 -16.526 -3.675 4.131 1.00 40.11 O ATOM 622 CB SER A 44 -19.355 -5.232 3.177 1.00 13.44 C ATOM 623 OG SER A 44 -19.456 -6.564 3.696 1.00 30.11 O ATOM 0 H SER A 44 -18.309 -6.775 1.722 1.00 13.15 H new ATOM 0 HA SER A 44 -17.951 -4.023 2.099 1.00 71.14 H new ATOM 0 HB2 SER A 44 -19.603 -4.513 3.958 1.00 13.44 H new ATOM 0 HB3 SER A 44 -20.080 -5.094 2.375 1.00 13.44 H new ATOM 0 HG SER A 44 -20.365 -6.717 4.029 1.00 30.11 H new ATOM 629 N LYS A 45 -16.535 -5.909 4.381 1.00 71.21 N ATOM 630 CA LYS A 45 -15.552 -5.887 5.425 1.00 50.23 C ATOM 631 C LYS A 45 -14.189 -5.517 4.908 1.00 15.23 C ATOM 632 O LYS A 45 -13.441 -4.831 5.574 1.00 32.05 O ATOM 633 CB LYS A 45 -15.525 -7.164 6.218 1.00 51.13 C ATOM 634 CG LYS A 45 -16.759 -7.322 7.048 1.00 3.50 C ATOM 635 CD LYS A 45 -16.730 -8.591 7.836 1.00 72.32 C ATOM 636 CE LYS A 45 -17.989 -8.739 8.645 1.00 74.53 C ATOM 637 NZ LYS A 45 -18.096 -7.728 9.711 1.00 13.20 N ATOM 0 H LYS A 45 -16.874 -6.839 4.137 1.00 71.21 H new ATOM 0 HA LYS A 45 -15.855 -5.101 6.116 1.00 50.23 H new ATOM 0 HB2 LYS A 45 -15.431 -8.012 5.540 1.00 51.13 H new ATOM 0 HB3 LYS A 45 -14.647 -7.173 6.864 1.00 51.13 H new ATOM 0 HG2 LYS A 45 -16.854 -6.474 7.726 1.00 3.50 H new ATOM 0 HG3 LYS A 45 -17.637 -7.314 6.402 1.00 3.50 H new ATOM 0 HD2 LYS A 45 -16.622 -9.441 7.163 1.00 72.32 H new ATOM 0 HD3 LYS A 45 -15.863 -8.595 8.497 1.00 72.32 H new ATOM 0 HE2 LYS A 45 -18.853 -8.659 7.985 1.00 74.53 H new ATOM 0 HE3 LYS A 45 -18.017 -9.734 9.088 1.00 74.53 H new ATOM 0 HZ1 LYS A 45 -18.853 -7.998 10.371 1.00 13.20 H new ATOM 0 HZ2 LYS A 45 -17.194 -7.668 10.225 1.00 13.20 H new ATOM 0 HZ3 LYS A 45 -18.317 -6.803 9.291 1.00 13.20 H new ATOM 651 N VAL A 46 -13.886 -5.942 3.702 1.00 45.41 N ATOM 652 CA VAL A 46 -12.616 -5.597 3.077 1.00 13.42 C ATOM 653 C VAL A 46 -12.524 -4.074 2.924 1.00 54.44 C ATOM 654 O VAL A 46 -11.486 -3.460 3.215 1.00 34.02 O ATOM 655 CB VAL A 46 -12.463 -6.270 1.689 1.00 64.33 C ATOM 656 CG1 VAL A 46 -11.172 -5.832 1.017 1.00 42.44 C ATOM 657 CG2 VAL A 46 -12.509 -7.783 1.819 1.00 44.22 C ATOM 0 H VAL A 46 -14.496 -6.526 3.130 1.00 45.41 H new ATOM 0 HA VAL A 46 -11.811 -5.961 3.716 1.00 13.42 H new ATOM 0 HB VAL A 46 -13.298 -5.953 1.064 1.00 64.33 H new ATOM 0 HG11 VAL A 46 -11.085 -6.317 0.044 1.00 42.44 H new ATOM 0 HG12 VAL A 46 -11.180 -4.750 0.884 1.00 42.44 H new ATOM 0 HG13 VAL A 46 -10.323 -6.115 1.640 1.00 42.44 H new ATOM 0 HG21 VAL A 46 -12.400 -8.236 0.834 1.00 44.22 H new ATOM 0 HG22 VAL A 46 -11.697 -8.118 2.464 1.00 44.22 H new ATOM 0 HG23 VAL A 46 -13.463 -8.082 2.252 1.00 44.22 H new ATOM 667 N ALA A 47 -13.636 -3.480 2.526 1.00 12.13 N ATOM 668 CA ALA A 47 -13.738 -2.047 2.368 1.00 52.21 C ATOM 669 C ALA A 47 -13.520 -1.341 3.708 1.00 10.10 C ATOM 670 O ALA A 47 -12.847 -0.316 3.775 1.00 72.50 O ATOM 671 CB ALA A 47 -15.090 -1.675 1.767 1.00 34.52 C ATOM 0 H ALA A 47 -14.495 -3.984 2.304 1.00 12.13 H new ATOM 0 HA ALA A 47 -12.958 -1.715 1.683 1.00 52.21 H new ATOM 0 HB1 ALA A 47 -15.152 -0.593 1.654 1.00 34.52 H new ATOM 0 HB2 ALA A 47 -15.197 -2.149 0.791 1.00 34.52 H new ATOM 0 HB3 ALA A 47 -15.888 -2.018 2.426 1.00 34.52 H new ATOM 677 N GLN A 48 -14.072 -1.903 4.778 1.00 64.13 N ATOM 678 CA GLN A 48 -13.887 -1.311 6.093 1.00 22.52 C ATOM 679 C GLN A 48 -12.457 -1.475 6.605 1.00 35.41 C ATOM 680 O GLN A 48 -11.955 -0.596 7.251 1.00 2.15 O ATOM 681 CB GLN A 48 -15.003 -1.650 7.132 1.00 21.40 C ATOM 682 CG GLN A 48 -15.163 -3.100 7.548 1.00 70.42 C ATOM 683 CD GLN A 48 -14.121 -3.629 8.530 1.00 21.30 C ATOM 684 OE1 GLN A 48 -13.812 -4.817 8.528 1.00 22.25 O ATOM 685 NE2 GLN A 48 -13.605 -2.784 9.390 1.00 33.05 N ATOM 0 H GLN A 48 -14.640 -2.750 4.761 1.00 64.13 H new ATOM 0 HA GLN A 48 -14.025 -0.239 5.953 1.00 22.52 H new ATOM 0 HB2 GLN A 48 -14.814 -1.062 8.030 1.00 21.40 H new ATOM 0 HB3 GLN A 48 -15.955 -1.311 6.724 1.00 21.40 H new ATOM 0 HG2 GLN A 48 -16.150 -3.224 7.994 1.00 70.42 H new ATOM 0 HG3 GLN A 48 -15.138 -3.720 6.652 1.00 70.42 H new ATOM 0 HE21 GLN A 48 -13.880 -1.802 9.368 1.00 33.05 H new ATOM 0 HE22 GLN A 48 -12.928 -3.109 10.081 1.00 33.05 H new ATOM 694 N GLN A 49 -11.808 -2.609 6.285 1.00 63.14 N ATOM 695 CA GLN A 49 -10.387 -2.841 6.652 1.00 53.44 C ATOM 696 C GLN A 49 -9.526 -1.734 6.052 1.00 20.51 C ATOM 697 O GLN A 49 -8.674 -1.142 6.725 1.00 35.14 O ATOM 698 CB GLN A 49 -9.905 -4.189 6.104 1.00 22.15 C ATOM 699 CG GLN A 49 -10.632 -5.396 6.662 1.00 73.05 C ATOM 700 CD GLN A 49 -10.333 -5.666 8.123 1.00 33.54 C ATOM 701 OE1 GLN A 49 -9.236 -5.401 8.610 1.00 3.05 O ATOM 702 NE2 GLN A 49 -11.305 -6.155 8.834 1.00 32.13 N ATOM 0 H GLN A 49 -12.238 -3.381 5.775 1.00 63.14 H new ATOM 0 HA GLN A 49 -10.303 -2.844 7.739 1.00 53.44 H new ATOM 0 HB2 GLN A 49 -10.015 -4.185 5.020 1.00 22.15 H new ATOM 0 HB3 GLN A 49 -8.841 -4.293 6.316 1.00 22.15 H new ATOM 0 HG2 GLN A 49 -11.705 -5.250 6.541 1.00 73.05 H new ATOM 0 HG3 GLN A 49 -10.361 -6.275 6.077 1.00 73.05 H new ATOM 0 HE21 GLN A 49 -12.203 -6.363 8.396 1.00 32.13 H new ATOM 0 HE22 GLN A 49 -11.170 -6.331 9.830 1.00 32.13 H new ATOM 711 N LEU A 50 -9.827 -1.415 4.805 1.00 24.42 N ATOM 712 CA LEU A 50 -9.158 -0.345 4.060 1.00 24.12 C ATOM 713 C LEU A 50 -9.380 0.981 4.789 1.00 15.44 C ATOM 714 O LEU A 50 -8.444 1.732 5.054 1.00 52.05 O ATOM 715 CB LEU A 50 -9.788 -0.272 2.648 1.00 14.13 C ATOM 716 CG LEU A 50 -9.400 0.913 1.745 1.00 53.33 C ATOM 717 CD1 LEU A 50 -7.945 0.858 1.342 1.00 74.24 C ATOM 718 CD2 LEU A 50 -10.295 0.965 0.519 1.00 51.14 C ATOM 0 H LEU A 50 -10.551 -1.893 4.269 1.00 24.42 H new ATOM 0 HA LEU A 50 -8.088 -0.540 3.983 1.00 24.12 H new ATOM 0 HB2 LEU A 50 -9.533 -1.191 2.121 1.00 14.13 H new ATOM 0 HB3 LEU A 50 -10.872 -0.262 2.766 1.00 14.13 H new ATOM 0 HG LEU A 50 -9.544 1.827 2.322 1.00 53.33 H new ATOM 0 HD11 LEU A 50 -7.711 1.711 0.705 1.00 74.24 H new ATOM 0 HD12 LEU A 50 -7.319 0.888 2.234 1.00 74.24 H new ATOM 0 HD13 LEU A 50 -7.753 -0.065 0.796 1.00 74.24 H new ATOM 0 HD21 LEU A 50 -10.006 1.809 -0.107 1.00 51.14 H new ATOM 0 HD22 LEU A 50 -10.190 0.040 -0.048 1.00 51.14 H new ATOM 0 HD23 LEU A 50 -11.333 1.084 0.831 1.00 51.14 H new ATOM 730 N ARG A 51 -10.609 1.201 5.176 1.00 32.04 N ATOM 731 CA ARG A 51 -11.007 2.404 5.879 1.00 40.21 C ATOM 732 C ARG A 51 -10.475 2.473 7.320 1.00 60.42 C ATOM 733 O ARG A 51 -10.394 3.547 7.909 1.00 52.40 O ATOM 734 CB ARG A 51 -12.514 2.600 5.804 1.00 32.13 C ATOM 735 CG ARG A 51 -13.001 2.868 4.386 1.00 12.21 C ATOM 736 CD ARG A 51 -14.500 3.048 4.328 1.00 32.42 C ATOM 737 NE ARG A 51 -14.959 3.378 2.972 1.00 23.04 N ATOM 738 CZ ARG A 51 -16.152 3.912 2.666 1.00 73.13 C ATOM 739 NH1 ARG A 51 -17.085 4.064 3.611 1.00 75.33 N ATOM 740 NH2 ARG A 51 -16.418 4.264 1.414 1.00 60.00 N ATOM 0 H ARG A 51 -11.374 0.546 5.013 1.00 32.04 H new ATOM 0 HA ARG A 51 -10.535 3.242 5.365 1.00 40.21 H new ATOM 0 HB2 ARG A 51 -13.012 1.712 6.193 1.00 32.13 H new ATOM 0 HB3 ARG A 51 -12.801 3.433 6.446 1.00 32.13 H new ATOM 0 HG2 ARG A 51 -12.513 3.762 3.998 1.00 12.21 H new ATOM 0 HG3 ARG A 51 -12.710 2.040 3.740 1.00 12.21 H new ATOM 0 HD2 ARG A 51 -14.989 2.134 4.665 1.00 32.42 H new ATOM 0 HD3 ARG A 51 -14.798 3.840 5.015 1.00 32.42 H new ATOM 0 HE ARG A 51 -14.320 3.186 2.201 1.00 23.04 H new ATOM 0 HH11 ARG A 51 -16.892 3.774 4.570 1.00 75.33 H new ATOM 0 HH12 ARG A 51 -17.990 4.470 3.374 1.00 75.33 H new ATOM 0 HH21 ARG A 51 -15.716 4.129 0.686 1.00 60.00 H new ATOM 0 HH22 ARG A 51 -17.324 4.670 1.180 1.00 60.00 H new ATOM 754 N GLU A 52 -10.130 1.333 7.887 1.00 61.55 N ATOM 755 CA GLU A 52 -9.561 1.291 9.226 1.00 51.20 C ATOM 756 C GLU A 52 -8.061 1.533 9.173 1.00 42.42 C ATOM 757 O GLU A 52 -7.402 1.675 10.213 1.00 12.42 O ATOM 758 CB GLU A 52 -9.835 -0.056 9.899 1.00 0.53 C ATOM 759 CG GLU A 52 -11.284 -0.304 10.282 1.00 24.23 C ATOM 760 CD GLU A 52 -11.801 0.682 11.303 1.00 45.42 C ATOM 761 OE1 GLU A 52 -11.059 1.004 12.277 1.00 52.55 O ATOM 762 OE2 GLU A 52 -12.961 1.116 11.191 1.00 72.55 O ATOM 0 H GLU A 52 -10.233 0.421 7.443 1.00 61.55 H new ATOM 0 HA GLU A 52 -10.035 2.078 9.812 1.00 51.20 H new ATOM 0 HB2 GLU A 52 -9.512 -0.852 9.228 1.00 0.53 H new ATOM 0 HB3 GLU A 52 -9.221 -0.127 10.797 1.00 0.53 H new ATOM 0 HG2 GLU A 52 -11.905 -0.252 9.388 1.00 24.23 H new ATOM 0 HG3 GLU A 52 -11.381 -1.314 10.679 1.00 24.23 H new ATOM 769 N GLY A 53 -7.526 1.581 7.969 1.00 2.41 N ATOM 770 CA GLY A 53 -6.111 1.775 7.795 1.00 71.34 C ATOM 771 C GLY A 53 -5.354 0.479 7.940 1.00 13.44 C ATOM 772 O GLY A 53 -4.172 0.475 8.250 1.00 35.25 O ATOM 0 H GLY A 53 -8.054 1.488 7.101 1.00 2.41 H new ATOM 0 HA2 GLY A 53 -5.919 2.201 6.810 1.00 71.34 H new ATOM 0 HA3 GLY A 53 -5.748 2.494 8.530 1.00 71.34 H new ATOM 776 N HIS A 54 -6.046 -0.626 7.731 1.00 33.21 N ATOM 777 CA HIS A 54 -5.429 -1.943 7.834 1.00 61.03 C ATOM 778 C HIS A 54 -4.904 -2.375 6.482 1.00 22.14 C ATOM 779 O HIS A 54 -4.065 -3.261 6.384 1.00 4.15 O ATOM 780 CB HIS A 54 -6.424 -3.007 8.342 1.00 3.11 C ATOM 781 CG HIS A 54 -6.939 -2.822 9.746 1.00 72.22 C ATOM 782 ND1 HIS A 54 -7.871 -3.656 10.320 1.00 1.45 N ATOM 783 CD2 HIS A 54 -6.635 -1.900 10.697 1.00 52.41 C ATOM 784 CE1 HIS A 54 -8.101 -3.239 11.561 1.00 73.22 C ATOM 785 NE2 HIS A 54 -7.376 -2.169 11.847 1.00 44.51 N ATOM 0 H HIS A 54 -7.037 -0.641 7.489 1.00 33.21 H new ATOM 0 HA HIS A 54 -4.613 -1.862 8.552 1.00 61.03 H new ATOM 0 HB2 HIS A 54 -7.278 -3.029 7.664 1.00 3.11 H new ATOM 0 HB3 HIS A 54 -5.943 -3.983 8.280 1.00 3.11 H new ATOM 0 HD1 HIS A 54 -8.311 -4.458 9.869 1.00 1.45 H new ATOM 0 HD2 HIS A 54 -5.932 -1.089 10.581 1.00 52.41 H new ATOM 0 HE1 HIS A 54 -8.789 -3.711 12.246 1.00 73.22 H new ATOM 793 N LEU A 55 -5.392 -1.729 5.448 1.00 24.22 N ATOM 794 CA LEU A 55 -5.045 -2.079 4.101 1.00 31.20 C ATOM 795 C LEU A 55 -5.143 -0.828 3.238 1.00 52.11 C ATOM 796 O LEU A 55 -5.843 0.111 3.607 1.00 72.12 O ATOM 797 CB LEU A 55 -6.023 -3.158 3.596 1.00 10.21 C ATOM 798 CG LEU A 55 -5.713 -3.798 2.243 1.00 21.05 C ATOM 799 CD1 LEU A 55 -4.387 -4.549 2.302 1.00 13.30 C ATOM 800 CD2 LEU A 55 -6.843 -4.732 1.832 1.00 3.42 C ATOM 0 H LEU A 55 -6.041 -0.946 5.523 1.00 24.22 H new ATOM 0 HA LEU A 55 -4.030 -2.473 4.053 1.00 31.20 H new ATOM 0 HB2 LEU A 55 -6.068 -3.950 4.343 1.00 10.21 H new ATOM 0 HB3 LEU A 55 -7.017 -2.715 3.541 1.00 10.21 H new ATOM 0 HG LEU A 55 -5.627 -3.011 1.494 1.00 21.05 H new ATOM 0 HD11 LEU A 55 -4.180 -4.999 1.331 1.00 13.30 H new ATOM 0 HD12 LEU A 55 -3.587 -3.855 2.558 1.00 13.30 H new ATOM 0 HD13 LEU A 55 -4.445 -5.331 3.059 1.00 13.30 H new ATOM 0 HD21 LEU A 55 -6.610 -5.182 0.867 1.00 3.42 H new ATOM 0 HD22 LEU A 55 -6.957 -5.517 2.580 1.00 3.42 H new ATOM 0 HD23 LEU A 55 -7.772 -4.167 1.755 1.00 3.42 H new ATOM 812 N VAL A 56 -4.411 -0.805 2.132 1.00 12.22 N ATOM 813 CA VAL A 56 -4.432 0.291 1.160 1.00 62.40 C ATOM 814 C VAL A 56 -4.441 -0.319 -0.240 1.00 30.03 C ATOM 815 O VAL A 56 -3.867 -1.392 -0.455 1.00 30.23 O ATOM 816 CB VAL A 56 -3.205 1.278 1.333 1.00 60.13 C ATOM 817 CG1 VAL A 56 -3.112 2.299 0.200 1.00 70.34 C ATOM 818 CG2 VAL A 56 -3.298 2.025 2.648 1.00 1.40 C ATOM 0 H VAL A 56 -3.773 -1.559 1.877 1.00 12.22 H new ATOM 0 HA VAL A 56 -5.327 0.891 1.325 1.00 62.40 H new ATOM 0 HB VAL A 56 -2.310 0.656 1.313 1.00 60.13 H new ATOM 0 HG11 VAL A 56 -2.254 2.951 0.367 1.00 70.34 H new ATOM 0 HG12 VAL A 56 -2.992 1.778 -0.750 1.00 70.34 H new ATOM 0 HG13 VAL A 56 -4.023 2.897 0.174 1.00 70.34 H new ATOM 0 HG21 VAL A 56 -2.445 2.697 2.746 1.00 1.40 H new ATOM 0 HG22 VAL A 56 -4.221 2.604 2.673 1.00 1.40 H new ATOM 0 HG23 VAL A 56 -3.295 1.312 3.472 1.00 1.40 H new ATOM 828 N ALA A 57 -5.095 0.345 -1.163 1.00 2.24 N ATOM 829 CA ALA A 57 -5.234 -0.125 -2.519 1.00 43.53 C ATOM 830 C ALA A 57 -4.829 0.979 -3.476 1.00 33.20 C ATOM 831 O ALA A 57 -4.884 2.155 -3.116 1.00 64.21 O ATOM 832 CB ALA A 57 -6.673 -0.538 -2.780 1.00 14.45 C ATOM 0 H ALA A 57 -5.552 1.240 -0.990 1.00 2.24 H new ATOM 0 HA ALA A 57 -4.589 -0.990 -2.671 1.00 43.53 H new ATOM 0 HB1 ALA A 57 -6.770 -0.892 -3.806 1.00 14.45 H new ATOM 0 HB2 ALA A 57 -6.953 -1.337 -2.093 1.00 14.45 H new ATOM 0 HB3 ALA A 57 -7.330 0.318 -2.628 1.00 14.45 H new ATOM 838 N VAL A 58 -4.435 0.603 -4.669 1.00 24.33 N ATOM 839 CA VAL A 58 -4.017 1.540 -5.697 1.00 53.20 C ATOM 840 C VAL A 58 -4.780 1.281 -6.968 1.00 23.12 C ATOM 841 O VAL A 58 -5.416 0.250 -7.109 1.00 33.40 O ATOM 842 CB VAL A 58 -2.496 1.506 -5.977 1.00 25.22 C ATOM 843 CG1 VAL A 58 -1.745 2.155 -4.836 1.00 43.21 C ATOM 844 CG2 VAL A 58 -2.013 0.071 -6.184 1.00 60.01 C ATOM 0 H VAL A 58 -4.393 -0.373 -4.962 1.00 24.33 H new ATOM 0 HA VAL A 58 -4.241 2.538 -5.319 1.00 53.20 H new ATOM 0 HB VAL A 58 -2.301 2.064 -6.893 1.00 25.22 H new ATOM 0 HG11 VAL A 58 -0.675 2.126 -5.042 1.00 43.21 H new ATOM 0 HG12 VAL A 58 -2.067 3.191 -4.731 1.00 43.21 H new ATOM 0 HG13 VAL A 58 -1.951 1.616 -3.911 1.00 43.21 H new ATOM 0 HG21 VAL A 58 -0.941 0.073 -6.379 1.00 60.01 H new ATOM 0 HG22 VAL A 58 -2.218 -0.515 -5.288 1.00 60.01 H new ATOM 0 HG23 VAL A 58 -2.536 -0.370 -7.033 1.00 60.01 H new ATOM 854 N ARG A 59 -4.728 2.194 -7.882 1.00 64.21 N ATOM 855 CA ARG A 59 -5.493 2.070 -9.083 1.00 13.55 C ATOM 856 C ARG A 59 -4.562 2.119 -10.267 1.00 21.02 C ATOM 857 O ARG A 59 -3.606 2.899 -10.279 1.00 32.23 O ATOM 858 CB ARG A 59 -6.504 3.211 -9.130 1.00 50.03 C ATOM 859 CG ARG A 59 -7.612 3.088 -10.155 1.00 11.10 C ATOM 860 CD ARG A 59 -8.512 4.300 -10.057 1.00 12.03 C ATOM 861 NE ARG A 59 -9.649 4.265 -10.972 1.00 24.42 N ATOM 862 CZ ARG A 59 -10.118 5.342 -11.625 1.00 62.13 C ATOM 863 NH1 ARG A 59 -9.499 6.526 -11.501 1.00 74.02 N ATOM 864 NH2 ARG A 59 -11.205 5.238 -12.391 1.00 32.23 N ATOM 0 H ARG A 59 -4.161 3.039 -7.821 1.00 64.21 H new ATOM 0 HA ARG A 59 -6.029 1.121 -9.109 1.00 13.55 H new ATOM 0 HB2 ARG A 59 -6.960 3.304 -8.144 1.00 50.03 H new ATOM 0 HB3 ARG A 59 -5.964 4.138 -9.321 1.00 50.03 H new ATOM 0 HG2 ARG A 59 -7.191 3.012 -11.157 1.00 11.10 H new ATOM 0 HG3 ARG A 59 -8.186 2.178 -9.981 1.00 11.10 H new ATOM 0 HD2 ARG A 59 -8.882 4.384 -9.035 1.00 12.03 H new ATOM 0 HD3 ARG A 59 -7.923 5.195 -10.258 1.00 12.03 H new ATOM 0 HE ARG A 59 -10.115 3.371 -11.125 1.00 24.42 H new ATOM 0 HH11 ARG A 59 -8.671 6.609 -10.911 1.00 74.02 H new ATOM 0 HH12 ARG A 59 -9.856 7.343 -11.997 1.00 74.02 H new ATOM 0 HH21 ARG A 59 -11.681 4.340 -12.482 1.00 32.23 H new ATOM 0 HH22 ARG A 59 -11.560 6.056 -12.886 1.00 32.23 H new ATOM 878 N ARG A 60 -4.806 1.266 -11.219 1.00 51.31 N ATOM 879 CA ARG A 60 -4.052 1.222 -12.442 1.00 71.14 C ATOM 880 C ARG A 60 -4.946 0.646 -13.520 1.00 12.25 C ATOM 881 O ARG A 60 -5.751 -0.255 -13.235 1.00 11.33 O ATOM 882 CB ARG A 60 -2.759 0.410 -12.280 1.00 63.32 C ATOM 883 CG ARG A 60 -2.956 -1.069 -12.005 1.00 71.32 C ATOM 884 CD ARG A 60 -1.629 -1.750 -11.777 1.00 15.15 C ATOM 885 NE ARG A 60 -1.743 -3.207 -11.716 1.00 23.31 N ATOM 886 CZ ARG A 60 -0.736 -4.023 -11.396 1.00 62.15 C ATOM 887 NH1 ARG A 60 0.374 -3.531 -10.842 1.00 33.32 N ATOM 888 NH2 ARG A 60 -0.857 -5.336 -11.580 1.00 75.32 N ATOM 0 H ARG A 60 -5.548 0.568 -11.168 1.00 51.31 H new ATOM 0 HA ARG A 60 -3.740 2.228 -12.722 1.00 71.14 H new ATOM 0 HB2 ARG A 60 -2.164 0.519 -13.187 1.00 63.32 H new ATOM 0 HB3 ARG A 60 -2.178 0.841 -11.465 1.00 63.32 H new ATOM 0 HG2 ARG A 60 -3.593 -1.200 -11.130 1.00 71.32 H new ATOM 0 HG3 ARG A 60 -3.470 -1.535 -12.846 1.00 71.32 H new ATOM 0 HD2 ARG A 60 -0.943 -1.477 -12.579 1.00 15.15 H new ATOM 0 HD3 ARG A 60 -1.193 -1.385 -10.847 1.00 15.15 H new ATOM 0 HE ARG A 60 -2.648 -3.625 -11.931 1.00 23.31 H new ATOM 0 HH11 ARG A 60 0.454 -2.530 -10.662 1.00 33.32 H new ATOM 0 HH12 ARG A 60 1.142 -4.156 -10.598 1.00 33.32 H new ATOM 0 HH21 ARG A 60 -1.720 -5.720 -11.966 1.00 75.32 H new ATOM 0 HH22 ARG A 60 -0.087 -5.958 -11.335 1.00 75.32 H new ATOM 902 N ALA A 61 -4.890 1.232 -14.718 1.00 14.15 N ATOM 903 CA ALA A 61 -5.704 0.817 -15.878 1.00 25.44 C ATOM 904 C ALA A 61 -7.197 1.053 -15.611 1.00 74.32 C ATOM 905 O ALA A 61 -8.071 0.538 -16.320 1.00 52.51 O ATOM 906 CB ALA A 61 -5.437 -0.644 -16.248 1.00 62.04 C ATOM 0 H ALA A 61 -4.272 2.019 -14.919 1.00 14.15 H new ATOM 0 HA ALA A 61 -5.411 1.433 -16.728 1.00 25.44 H new ATOM 0 HB1 ALA A 61 -6.051 -0.920 -17.105 1.00 62.04 H new ATOM 0 HB2 ALA A 61 -4.384 -0.769 -16.500 1.00 62.04 H new ATOM 0 HB3 ALA A 61 -5.686 -1.285 -15.402 1.00 62.04 H new ATOM 912 N GLY A 62 -7.477 1.861 -14.600 1.00 1.34 N ATOM 913 CA GLY A 62 -8.830 2.146 -14.215 1.00 21.54 C ATOM 914 C GLY A 62 -9.329 1.201 -13.143 1.00 35.31 C ATOM 915 O GLY A 62 -10.402 1.409 -12.579 1.00 71.41 O ATOM 0 H GLY A 62 -6.770 2.330 -14.033 1.00 1.34 H new ATOM 0 HA2 GLY A 62 -8.895 3.172 -13.852 1.00 21.54 H new ATOM 0 HA3 GLY A 62 -9.477 2.076 -15.089 1.00 21.54 H new ATOM 919 N GLY A 63 -8.545 0.198 -12.828 1.00 44.12 N ATOM 920 CA GLY A 63 -8.953 -0.795 -11.871 1.00 33.22 C ATOM 921 C GLY A 63 -8.261 -0.606 -10.567 1.00 52.45 C ATOM 922 O GLY A 63 -7.094 -0.206 -10.535 1.00 54.05 O ATOM 0 H GLY A 63 -7.617 0.050 -13.224 1.00 44.12 H new ATOM 0 HA2 GLY A 63 -10.032 -0.740 -11.724 1.00 33.22 H new ATOM 0 HA3 GLY A 63 -8.735 -1.789 -12.260 1.00 33.22 H new ATOM 926 N VAL A 64 -8.956 -0.859 -9.501 1.00 2.41 N ATOM 927 CA VAL A 64 -8.387 -0.729 -8.198 1.00 62.11 C ATOM 928 C VAL A 64 -7.933 -2.094 -7.706 1.00 61.23 C ATOM 929 O VAL A 64 -8.708 -3.062 -7.657 1.00 24.14 O ATOM 930 CB VAL A 64 -9.348 -0.017 -7.187 1.00 14.32 C ATOM 931 CG1 VAL A 64 -10.693 -0.709 -7.085 1.00 23.31 C ATOM 932 CG2 VAL A 64 -8.710 0.110 -5.814 1.00 73.41 C ATOM 0 H VAL A 64 -9.930 -1.160 -9.511 1.00 2.41 H new ATOM 0 HA VAL A 64 -7.516 -0.077 -8.267 1.00 62.11 H new ATOM 0 HB VAL A 64 -9.525 0.984 -7.581 1.00 14.32 H new ATOM 0 HG11 VAL A 64 -11.323 -0.177 -6.372 1.00 23.31 H new ATOM 0 HG12 VAL A 64 -11.175 -0.713 -8.062 1.00 23.31 H new ATOM 0 HG13 VAL A 64 -10.549 -1.735 -6.747 1.00 23.31 H new ATOM 0 HG21 VAL A 64 -9.403 0.608 -5.136 1.00 73.41 H new ATOM 0 HG22 VAL A 64 -8.475 -0.882 -5.429 1.00 73.41 H new ATOM 0 HG23 VAL A 64 -7.794 0.695 -5.891 1.00 73.41 H new ATOM 942 N VAL A 65 -6.685 -2.169 -7.381 1.00 54.21 N ATOM 943 CA VAL A 65 -6.060 -3.385 -6.982 1.00 53.33 C ATOM 944 C VAL A 65 -5.286 -3.187 -5.706 1.00 63.24 C ATOM 945 O VAL A 65 -4.827 -2.087 -5.388 1.00 44.35 O ATOM 946 CB VAL A 65 -5.122 -3.963 -8.090 1.00 43.42 C ATOM 947 CG1 VAL A 65 -5.934 -4.583 -9.217 1.00 41.52 C ATOM 948 CG2 VAL A 65 -4.218 -2.872 -8.656 1.00 40.10 C ATOM 0 H VAL A 65 -6.056 -1.366 -7.386 1.00 54.21 H new ATOM 0 HA VAL A 65 -6.856 -4.110 -6.815 1.00 53.33 H new ATOM 0 HB VAL A 65 -4.505 -4.735 -7.631 1.00 43.42 H new ATOM 0 HG11 VAL A 65 -5.260 -4.979 -9.976 1.00 41.52 H new ATOM 0 HG12 VAL A 65 -6.548 -5.391 -8.821 1.00 41.52 H new ATOM 0 HG13 VAL A 65 -6.577 -3.824 -9.663 1.00 41.52 H new ATOM 0 HG21 VAL A 65 -3.573 -3.297 -9.426 1.00 40.10 H new ATOM 0 HG22 VAL A 65 -4.830 -2.082 -9.091 1.00 40.10 H new ATOM 0 HG23 VAL A 65 -3.604 -2.457 -7.857 1.00 40.10 H new ATOM 958 N ILE A 66 -5.185 -4.233 -4.975 1.00 44.54 N ATOM 959 CA ILE A 66 -4.499 -4.257 -3.735 1.00 51.15 C ATOM 960 C ILE A 66 -3.180 -4.985 -3.955 1.00 64.12 C ATOM 961 O ILE A 66 -3.171 -6.084 -4.535 1.00 34.22 O ATOM 962 CB ILE A 66 -5.321 -5.009 -2.612 1.00 42.15 C ATOM 963 CG1 ILE A 66 -6.659 -4.304 -2.251 1.00 32.44 C ATOM 964 CG2 ILE A 66 -4.488 -5.192 -1.356 1.00 1.22 C ATOM 965 CD1 ILE A 66 -7.758 -4.379 -3.302 1.00 22.43 C ATOM 0 H ILE A 66 -5.593 -5.132 -5.232 1.00 44.54 H new ATOM 0 HA ILE A 66 -4.349 -3.232 -3.396 1.00 51.15 H new ATOM 0 HB ILE A 66 -5.571 -5.983 -3.033 1.00 42.15 H new ATOM 0 HG12 ILE A 66 -7.038 -4.739 -1.326 1.00 32.44 H new ATOM 0 HG13 ILE A 66 -6.450 -3.254 -2.047 1.00 32.44 H new ATOM 0 HG21 ILE A 66 -5.078 -5.712 -0.601 1.00 1.22 H new ATOM 0 HG22 ILE A 66 -3.600 -5.779 -1.591 1.00 1.22 H new ATOM 0 HG23 ILE A 66 -4.187 -4.217 -0.974 1.00 1.22 H new ATOM 0 HD11 ILE A 66 -8.643 -3.854 -2.942 1.00 22.43 H new ATOM 0 HD12 ILE A 66 -7.411 -3.914 -4.225 1.00 22.43 H new ATOM 0 HD13 ILE A 66 -8.008 -5.423 -3.493 1.00 22.43 H new ATOM 977 N PRO A 67 -2.053 -4.378 -3.586 1.00 63.41 N ATOM 978 CA PRO A 67 -0.758 -5.037 -3.666 1.00 34.22 C ATOM 979 C PRO A 67 -0.726 -6.268 -2.751 1.00 4.42 C ATOM 980 O PRO A 67 -0.869 -6.149 -1.535 1.00 13.31 O ATOM 981 CB PRO A 67 0.226 -3.975 -3.154 1.00 61.31 C ATOM 982 CG PRO A 67 -0.491 -2.684 -3.316 1.00 14.23 C ATOM 983 CD PRO A 67 -1.936 -2.993 -3.091 1.00 31.12 C ATOM 0 HA PRO A 67 -0.525 -5.386 -4.672 1.00 34.22 H new ATOM 0 HB2 PRO A 67 0.492 -4.152 -2.112 1.00 61.31 H new ATOM 0 HB3 PRO A 67 1.154 -3.987 -3.726 1.00 61.31 H new ATOM 0 HG2 PRO A 67 -0.133 -1.945 -2.600 1.00 14.23 H new ATOM 0 HG3 PRO A 67 -0.330 -2.269 -4.311 1.00 14.23 H new ATOM 0 HD2 PRO A 67 -2.207 -2.915 -2.038 1.00 31.12 H new ATOM 0 HD3 PRO A 67 -2.586 -2.311 -3.639 1.00 31.12 H new ATOM 991 N GLN A 68 -0.539 -7.443 -3.345 1.00 75.34 N ATOM 992 CA GLN A 68 -0.505 -8.714 -2.616 1.00 4.41 C ATOM 993 C GLN A 68 0.623 -8.747 -1.598 1.00 4.33 C ATOM 994 O GLN A 68 0.555 -9.442 -0.600 1.00 64.44 O ATOM 995 CB GLN A 68 -0.411 -9.855 -3.613 1.00 11.51 C ATOM 996 CG GLN A 68 -0.251 -11.250 -3.037 1.00 44.12 C ATOM 997 CD GLN A 68 -0.447 -12.315 -4.093 1.00 74.01 C ATOM 998 OE1 GLN A 68 -1.323 -12.056 -5.041 1.00 42.23 O flip ATOM 999 NE2 GLN A 68 0.154 -13.381 -4.039 1.00 14.33 N flip ATOM 0 H GLN A 68 -0.406 -7.544 -4.351 1.00 75.34 H new ATOM 0 HA GLN A 68 -1.427 -8.825 -2.044 1.00 4.41 H new ATOM 0 HB2 GLN A 68 -1.309 -9.842 -4.231 1.00 11.51 H new ATOM 0 HB3 GLN A 68 0.433 -9.661 -4.274 1.00 11.51 H new ATOM 0 HG2 GLN A 68 0.741 -11.351 -2.598 1.00 44.12 H new ATOM 0 HG3 GLN A 68 -0.972 -11.397 -2.233 1.00 44.12 H new ATOM 0 HE21 GLN A 68 0.827 -13.550 -3.291 1.00 14.33 H new ATOM 0 HE22 GLN A 68 -0.018 -14.100 -4.742 1.00 14.33 H new ATOM 1008 N VAL A 69 1.630 -7.951 -1.854 1.00 11.34 N ATOM 1009 CA VAL A 69 2.802 -7.840 -0.999 1.00 50.31 C ATOM 1010 C VAL A 69 2.474 -7.189 0.378 1.00 21.33 C ATOM 1011 O VAL A 69 3.334 -7.100 1.253 1.00 53.12 O ATOM 1012 CB VAL A 69 3.913 -7.056 -1.716 1.00 0.24 C ATOM 1013 CG1 VAL A 69 4.286 -7.756 -3.016 1.00 32.31 C ATOM 1014 CG2 VAL A 69 3.478 -5.625 -1.992 1.00 34.33 C ATOM 0 H VAL A 69 1.666 -7.348 -2.676 1.00 11.34 H new ATOM 0 HA VAL A 69 3.151 -8.853 -0.797 1.00 50.31 H new ATOM 0 HB VAL A 69 4.787 -7.023 -1.065 1.00 0.24 H new ATOM 0 HG11 VAL A 69 5.074 -7.195 -3.518 1.00 32.31 H new ATOM 0 HG12 VAL A 69 4.641 -8.763 -2.798 1.00 32.31 H new ATOM 0 HG13 VAL A 69 3.411 -7.812 -3.663 1.00 32.31 H new ATOM 0 HG21 VAL A 69 4.282 -5.092 -2.500 1.00 34.33 H new ATOM 0 HG22 VAL A 69 2.590 -5.630 -2.624 1.00 34.33 H new ATOM 0 HG23 VAL A 69 3.250 -5.126 -1.050 1.00 34.33 H new ATOM 1024 N PHE A 70 1.236 -6.724 0.540 1.00 72.24 N ATOM 1025 CA PHE A 70 0.747 -6.224 1.826 1.00 30.12 C ATOM 1026 C PHE A 70 0.344 -7.396 2.711 1.00 65.03 C ATOM 1027 O PHE A 70 0.153 -7.265 3.923 1.00 34.33 O ATOM 1028 CB PHE A 70 -0.445 -5.273 1.628 1.00 11.41 C ATOM 1029 CG PHE A 70 -0.077 -3.829 1.390 1.00 31.41 C ATOM 1030 CD1 PHE A 70 0.983 -3.474 0.571 1.00 22.42 C ATOM 1031 CD2 PHE A 70 -0.808 -2.821 2.000 1.00 34.24 C ATOM 1032 CE1 PHE A 70 1.304 -2.145 0.374 1.00 34.34 C ATOM 1033 CE2 PHE A 70 -0.494 -1.501 1.809 1.00 71.45 C ATOM 1034 CZ PHE A 70 0.560 -1.156 1.000 1.00 54.13 C ATOM 0 H PHE A 70 0.547 -6.683 -0.211 1.00 72.24 H new ATOM 0 HA PHE A 70 1.548 -5.665 2.310 1.00 30.12 H new ATOM 0 HB2 PHE A 70 -1.035 -5.626 0.782 1.00 11.41 H new ATOM 0 HB3 PHE A 70 -1.085 -5.329 2.509 1.00 11.41 H new ATOM 0 HD1 PHE A 70 1.563 -4.243 0.083 1.00 22.42 H new ATOM 0 HD2 PHE A 70 -1.640 -3.081 2.637 1.00 34.24 H new ATOM 0 HE1 PHE A 70 2.132 -1.877 -0.266 1.00 34.34 H new ATOM 0 HE2 PHE A 70 -1.076 -0.732 2.295 1.00 71.45 H new ATOM 0 HZ PHE A 70 0.810 -0.116 0.851 1.00 54.13 H new ATOM 1044 N PHE A 71 0.224 -8.536 2.091 1.00 5.10 N ATOM 1045 CA PHE A 71 -0.122 -9.738 2.766 1.00 52.10 C ATOM 1046 C PHE A 71 1.099 -10.614 2.817 1.00 3.33 C ATOM 1047 O PHE A 71 1.977 -10.519 1.953 1.00 4.53 O ATOM 1048 CB PHE A 71 -1.257 -10.466 2.032 1.00 30.12 C ATOM 1049 CG PHE A 71 -2.527 -9.669 1.922 1.00 53.03 C ATOM 1050 CD1 PHE A 71 -3.489 -9.731 2.914 1.00 35.13 C ATOM 1051 CD2 PHE A 71 -2.759 -8.859 0.823 1.00 52.55 C ATOM 1052 CE1 PHE A 71 -4.657 -9.001 2.811 1.00 70.33 C ATOM 1053 CE2 PHE A 71 -3.920 -8.129 0.716 1.00 44.03 C ATOM 1054 CZ PHE A 71 -4.871 -8.201 1.711 1.00 53.10 C ATOM 0 H PHE A 71 0.368 -8.650 1.088 1.00 5.10 H new ATOM 0 HA PHE A 71 -0.469 -9.507 3.773 1.00 52.10 H new ATOM 0 HB2 PHE A 71 -0.918 -10.729 1.030 1.00 30.12 H new ATOM 0 HB3 PHE A 71 -1.471 -11.400 2.551 1.00 30.12 H new ATOM 0 HD1 PHE A 71 -3.325 -10.357 3.779 1.00 35.13 H new ATOM 0 HD2 PHE A 71 -2.018 -8.800 0.039 1.00 52.55 H new ATOM 0 HE1 PHE A 71 -5.401 -9.058 3.592 1.00 70.33 H new ATOM 0 HE2 PHE A 71 -4.086 -7.500 -0.146 1.00 44.03 H new ATOM 0 HZ PHE A 71 -5.784 -7.630 1.628 1.00 53.10 H new ATOM 1064 N THR A 72 1.185 -11.432 3.815 1.00 21.31 N ATOM 1065 CA THR A 72 2.277 -12.344 3.952 1.00 42.21 C ATOM 1066 C THR A 72 2.094 -13.506 2.989 1.00 75.15 C ATOM 1067 O THR A 72 1.058 -13.610 2.312 1.00 12.30 O ATOM 1068 CB THR A 72 2.366 -12.878 5.400 1.00 23.04 C ATOM 1069 OG1 THR A 72 1.087 -13.419 5.803 1.00 30.53 O ATOM 1070 CG2 THR A 72 2.785 -11.775 6.363 1.00 5.20 C ATOM 0 H THR A 72 0.495 -11.488 4.564 1.00 21.31 H new ATOM 0 HA THR A 72 3.202 -11.816 3.720 1.00 42.21 H new ATOM 0 HB THR A 72 3.120 -13.664 5.429 1.00 23.04 H new ATOM 0 HG1 THR A 72 1.149 -13.757 6.721 1.00 30.53 H new ATOM 0 HG21 THR A 72 2.840 -12.177 7.375 1.00 5.20 H new ATOM 0 HG22 THR A 72 3.762 -11.390 6.072 1.00 5.20 H new ATOM 0 HG23 THR A 72 2.053 -10.968 6.333 1.00 5.20 H new ATOM 1078 N ASN A 73 3.072 -14.384 2.929 1.00 33.55 N ATOM 1079 CA ASN A 73 2.978 -15.589 2.101 1.00 24.52 C ATOM 1080 C ASN A 73 1.836 -16.497 2.616 1.00 14.21 C ATOM 1081 O ASN A 73 1.323 -17.348 1.906 1.00 22.33 O ATOM 1082 CB ASN A 73 4.313 -16.342 2.110 1.00 11.02 C ATOM 1083 CG ASN A 73 4.359 -17.491 1.116 1.00 44.22 C ATOM 1084 OD1 ASN A 73 3.747 -17.438 0.058 1.00 44.31 O ATOM 1085 ND2 ASN A 73 5.074 -18.523 1.447 1.00 52.53 N ATOM 0 H ASN A 73 3.949 -14.294 3.442 1.00 33.55 H new ATOM 0 HA ASN A 73 2.754 -15.299 1.074 1.00 24.52 H new ATOM 0 HB2 ASN A 73 5.119 -15.643 1.885 1.00 11.02 H new ATOM 0 HB3 ASN A 73 4.498 -16.729 3.112 1.00 11.02 H new ATOM 0 HD21 ASN A 73 5.138 -19.322 0.817 1.00 52.53 H new ATOM 0 HD22 ASN A 73 5.572 -18.534 2.337 1.00 52.53 H new ATOM 1092 N SER A 74 1.411 -16.257 3.854 1.00 41.40 N ATOM 1093 CA SER A 74 0.323 -16.993 4.459 1.00 15.02 C ATOM 1094 C SER A 74 -1.045 -16.407 4.046 1.00 10.33 C ATOM 1095 O SER A 74 -2.098 -16.942 4.407 1.00 71.25 O ATOM 1096 CB SER A 74 0.480 -16.969 5.971 1.00 51.50 C ATOM 1097 OG SER A 74 1.768 -17.457 6.346 1.00 43.40 O ATOM 0 H SER A 74 1.817 -15.544 4.460 1.00 41.40 H new ATOM 0 HA SER A 74 0.357 -18.024 4.107 1.00 15.02 H new ATOM 0 HB2 SER A 74 0.348 -15.952 6.340 1.00 51.50 H new ATOM 0 HB3 SER A 74 -0.296 -17.579 6.433 1.00 51.50 H new ATOM 0 HG SER A 74 1.855 -17.434 7.322 1.00 43.40 H new ATOM 1103 N GLY A 75 -1.019 -15.306 3.299 1.00 21.24 N ATOM 1104 CA GLY A 75 -2.242 -14.697 2.826 1.00 45.31 C ATOM 1105 C GLY A 75 -2.950 -13.894 3.896 1.00 51.24 C ATOM 1106 O GLY A 75 -4.168 -13.734 3.861 1.00 0.41 O ATOM 0 H GLY A 75 -0.166 -14.826 3.014 1.00 21.24 H new ATOM 0 HA2 GLY A 75 -2.015 -14.047 1.981 1.00 45.31 H new ATOM 0 HA3 GLY A 75 -2.912 -15.475 2.459 1.00 45.31 H new ATOM 1110 N GLN A 76 -2.204 -13.409 4.848 1.00 72.00 N ATOM 1111 CA GLN A 76 -2.767 -12.607 5.917 1.00 31.15 C ATOM 1112 C GLN A 76 -2.032 -11.274 5.967 1.00 22.53 C ATOM 1113 O GLN A 76 -0.895 -11.186 5.512 1.00 70.44 O ATOM 1114 CB GLN A 76 -2.649 -13.368 7.259 1.00 2.30 C ATOM 1115 CG GLN A 76 -3.200 -12.633 8.485 1.00 71.32 C ATOM 1116 CD GLN A 76 -4.682 -12.323 8.378 1.00 54.12 C ATOM 1117 OE1 GLN A 76 -5.083 -11.264 7.873 1.00 55.22 O ATOM 1118 NE2 GLN A 76 -5.494 -13.216 8.854 1.00 1.23 N ATOM 0 H GLN A 76 -1.196 -13.552 4.913 1.00 72.00 H new ATOM 0 HA GLN A 76 -3.825 -12.418 5.735 1.00 31.15 H new ATOM 0 HB2 GLN A 76 -3.170 -14.320 7.164 1.00 2.30 H new ATOM 0 HB3 GLN A 76 -1.598 -13.596 7.436 1.00 2.30 H new ATOM 0 HG2 GLN A 76 -3.025 -13.240 9.374 1.00 71.32 H new ATOM 0 HG3 GLN A 76 -2.649 -11.702 8.621 1.00 71.32 H new ATOM 0 HE21 GLN A 76 -5.125 -14.075 9.262 1.00 1.23 H new ATOM 0 HE22 GLN A 76 -6.501 -13.059 8.820 1.00 1.23 H new ATOM 1127 N VAL A 77 -2.682 -10.253 6.482 1.00 74.15 N ATOM 1128 CA VAL A 77 -2.088 -8.936 6.631 1.00 62.11 C ATOM 1129 C VAL A 77 -0.897 -9.018 7.581 1.00 11.01 C ATOM 1130 O VAL A 77 -0.962 -9.714 8.604 1.00 34.21 O ATOM 1131 CB VAL A 77 -3.155 -7.913 7.165 1.00 32.41 C ATOM 1132 CG1 VAL A 77 -2.527 -6.606 7.612 1.00 43.50 C ATOM 1133 CG2 VAL A 77 -4.171 -7.618 6.083 1.00 1.22 C ATOM 0 H VAL A 77 -3.645 -10.311 6.813 1.00 74.15 H new ATOM 0 HA VAL A 77 -1.741 -8.586 5.659 1.00 62.11 H new ATOM 0 HB VAL A 77 -3.634 -8.374 8.029 1.00 32.41 H new ATOM 0 HG11 VAL A 77 -3.305 -5.933 7.972 1.00 43.50 H new ATOM 0 HG12 VAL A 77 -1.815 -6.800 8.414 1.00 43.50 H new ATOM 0 HG13 VAL A 77 -2.009 -6.145 6.771 1.00 43.50 H new ATOM 0 HG21 VAL A 77 -4.908 -6.908 6.459 1.00 1.22 H new ATOM 0 HG22 VAL A 77 -3.666 -7.191 5.216 1.00 1.22 H new ATOM 0 HG23 VAL A 77 -4.672 -8.542 5.793 1.00 1.22 H new ATOM 1143 N VAL A 78 0.206 -8.378 7.203 1.00 61.13 N ATOM 1144 CA VAL A 78 1.397 -8.345 8.039 1.00 13.11 C ATOM 1145 C VAL A 78 1.010 -7.634 9.349 1.00 73.24 C ATOM 1146 O VAL A 78 0.236 -6.665 9.319 1.00 33.12 O ATOM 1147 CB VAL A 78 2.579 -7.604 7.333 1.00 14.01 C ATOM 1148 CG1 VAL A 78 3.877 -7.816 8.084 1.00 33.12 C ATOM 1149 CG2 VAL A 78 2.726 -8.050 5.883 1.00 12.15 C ATOM 0 H VAL A 78 0.297 -7.875 6.321 1.00 61.13 H new ATOM 0 HA VAL A 78 1.745 -9.359 8.234 1.00 13.11 H new ATOM 0 HB VAL A 78 2.347 -6.539 7.338 1.00 14.01 H new ATOM 0 HG11 VAL A 78 4.683 -7.290 7.572 1.00 33.12 H new ATOM 0 HG12 VAL A 78 3.778 -7.429 9.098 1.00 33.12 H new ATOM 0 HG13 VAL A 78 4.105 -8.881 8.123 1.00 33.12 H new ATOM 0 HG21 VAL A 78 3.556 -7.516 5.421 1.00 12.15 H new ATOM 0 HG22 VAL A 78 2.920 -9.122 5.850 1.00 12.15 H new ATOM 0 HG23 VAL A 78 1.807 -7.831 5.340 1.00 12.15 H new ATOM 1159 N LYS A 79 1.527 -8.101 10.473 1.00 40.24 N ATOM 1160 CA LYS A 79 1.061 -7.653 11.790 1.00 61.32 C ATOM 1161 C LYS A 79 1.093 -6.138 11.991 1.00 45.34 C ATOM 1162 O LYS A 79 0.123 -5.544 12.455 1.00 11.11 O ATOM 1163 CB LYS A 79 1.855 -8.328 12.905 1.00 1.01 C ATOM 1164 CG LYS A 79 1.446 -7.876 14.279 1.00 42.55 C ATOM 1165 CD LYS A 79 2.255 -8.534 15.363 1.00 62.30 C ATOM 1166 CE LYS A 79 1.624 -8.293 16.715 1.00 14.12 C ATOM 1167 NZ LYS A 79 1.415 -6.856 17.008 1.00 12.51 N ATOM 0 H LYS A 79 2.274 -8.794 10.507 1.00 40.24 H new ATOM 0 HA LYS A 79 0.013 -7.950 11.833 1.00 61.32 H new ATOM 0 HB2 LYS A 79 1.727 -9.408 12.831 1.00 1.01 H new ATOM 0 HB3 LYS A 79 2.916 -8.123 12.763 1.00 1.01 H new ATOM 0 HG2 LYS A 79 1.558 -6.794 14.351 1.00 42.55 H new ATOM 0 HG3 LYS A 79 0.390 -8.098 14.432 1.00 42.55 H new ATOM 0 HD2 LYS A 79 2.325 -9.605 15.173 1.00 62.30 H new ATOM 0 HD3 LYS A 79 3.272 -8.142 15.355 1.00 62.30 H new ATOM 0 HE2 LYS A 79 0.666 -8.810 16.760 1.00 14.12 H new ATOM 0 HE3 LYS A 79 2.258 -8.727 17.488 1.00 14.12 H new ATOM 0 HZ1 LYS A 79 1.190 -6.736 18.016 1.00 12.51 H new ATOM 0 HZ2 LYS A 79 2.280 -6.326 16.781 1.00 12.51 H new ATOM 0 HZ3 LYS A 79 0.627 -6.495 16.433 1.00 12.51 H new ATOM 1181 N SER A 80 2.142 -5.514 11.607 1.00 52.24 N ATOM 1182 CA SER A 80 2.255 -4.112 11.849 1.00 32.44 C ATOM 1183 C SER A 80 2.141 -3.290 10.561 1.00 54.22 C ATOM 1184 O SER A 80 2.520 -2.113 10.517 1.00 54.14 O ATOM 1185 CB SER A 80 3.509 -3.834 12.671 1.00 72.20 C ATOM 1186 OG SER A 80 3.413 -4.502 13.938 1.00 23.22 O ATOM 0 H SER A 80 2.934 -5.941 11.126 1.00 52.24 H new ATOM 0 HA SER A 80 1.407 -3.778 12.447 1.00 32.44 H new ATOM 0 HB2 SER A 80 4.392 -4.178 12.133 1.00 72.20 H new ATOM 0 HB3 SER A 80 3.626 -2.761 12.822 1.00 72.20 H new ATOM 0 HG SER A 80 4.220 -4.324 14.464 1.00 23.22 H new ATOM 1192 N LEU A 81 1.523 -3.909 9.546 1.00 35.13 N ATOM 1193 CA LEU A 81 1.208 -3.239 8.283 1.00 1.11 C ATOM 1194 C LEU A 81 0.315 -1.997 8.527 1.00 22.14 C ATOM 1195 O LEU A 81 0.643 -0.908 8.036 1.00 63.24 O ATOM 1196 CB LEU A 81 0.494 -4.190 7.316 1.00 63.25 C ATOM 1197 CG LEU A 81 0.193 -3.632 5.935 1.00 44.02 C ATOM 1198 CD1 LEU A 81 1.432 -3.612 5.071 1.00 30.30 C ATOM 1199 CD2 LEU A 81 -0.905 -4.414 5.286 1.00 70.43 C ATOM 0 H LEU A 81 1.229 -4.885 9.580 1.00 35.13 H new ATOM 0 HA LEU A 81 2.152 -2.924 7.839 1.00 1.11 H new ATOM 0 HB2 LEU A 81 1.106 -5.085 7.199 1.00 63.25 H new ATOM 0 HB3 LEU A 81 -0.445 -4.503 7.772 1.00 63.25 H new ATOM 0 HG LEU A 81 -0.141 -2.601 6.049 1.00 44.02 H new ATOM 0 HD11 LEU A 81 1.185 -3.208 4.089 1.00 30.30 H new ATOM 0 HD12 LEU A 81 2.192 -2.987 5.540 1.00 30.30 H new ATOM 0 HD13 LEU A 81 1.814 -4.627 4.960 1.00 30.30 H new ATOM 0 HD21 LEU A 81 -1.109 -4.003 4.298 1.00 70.43 H new ATOM 0 HD22 LEU A 81 -0.601 -5.456 5.190 1.00 70.43 H new ATOM 0 HD23 LEU A 81 -1.805 -4.354 5.897 1.00 70.43 H new ATOM 1211 N PRO A 82 -0.824 -2.111 9.339 1.00 34.13 N ATOM 1212 CA PRO A 82 -1.707 -0.968 9.602 1.00 60.15 C ATOM 1213 C PRO A 82 -0.955 0.172 10.255 1.00 30.24 C ATOM 1214 O PRO A 82 -1.296 1.334 10.067 1.00 4.30 O ATOM 1215 CB PRO A 82 -2.754 -1.520 10.582 1.00 51.22 C ATOM 1216 CG PRO A 82 -2.747 -2.983 10.359 1.00 70.53 C ATOM 1217 CD PRO A 82 -1.335 -3.329 10.040 1.00 40.13 C ATOM 0 HA PRO A 82 -2.138 -0.571 8.683 1.00 60.15 H new ATOM 0 HB2 PRO A 82 -2.498 -1.276 11.613 1.00 51.22 H new ATOM 0 HB3 PRO A 82 -3.739 -1.095 10.389 1.00 51.22 H new ATOM 0 HG2 PRO A 82 -3.092 -3.517 11.245 1.00 70.53 H new ATOM 0 HG3 PRO A 82 -3.413 -3.259 9.541 1.00 70.53 H new ATOM 0 HD2 PRO A 82 -0.761 -3.543 10.942 1.00 40.13 H new ATOM 0 HD3 PRO A 82 -1.272 -4.213 9.405 1.00 40.13 H new ATOM 1225 N GLY A 83 0.106 -0.170 10.978 1.00 14.11 N ATOM 1226 CA GLY A 83 0.882 0.811 11.680 1.00 50.32 C ATOM 1227 C GLY A 83 1.533 1.805 10.747 1.00 1.41 C ATOM 1228 O GLY A 83 1.437 3.002 10.973 1.00 63.14 O ATOM 0 H GLY A 83 0.439 -1.128 11.085 1.00 14.11 H new ATOM 0 HA2 GLY A 83 0.241 1.343 12.383 1.00 50.32 H new ATOM 0 HA3 GLY A 83 1.652 0.310 12.267 1.00 50.32 H new ATOM 1232 N LEU A 84 2.138 1.311 9.663 1.00 2.44 N ATOM 1233 CA LEU A 84 2.812 2.191 8.701 1.00 23.30 C ATOM 1234 C LEU A 84 1.770 3.031 7.969 1.00 54.14 C ATOM 1235 O LEU A 84 1.959 4.224 7.718 1.00 42.30 O ATOM 1236 CB LEU A 84 3.716 1.386 7.709 1.00 41.44 C ATOM 1237 CG LEU A 84 3.041 0.669 6.516 1.00 65.12 C ATOM 1238 CD1 LEU A 84 2.948 1.589 5.281 1.00 13.44 C ATOM 1239 CD2 LEU A 84 3.752 -0.631 6.176 1.00 74.22 C ATOM 0 H LEU A 84 2.176 0.319 9.430 1.00 2.44 H new ATOM 0 HA LEU A 84 3.481 2.859 9.244 1.00 23.30 H new ATOM 0 HB2 LEU A 84 4.460 2.073 7.306 1.00 41.44 H new ATOM 0 HB3 LEU A 84 4.255 0.635 8.286 1.00 41.44 H new ATOM 0 HG LEU A 84 2.024 0.422 6.821 1.00 65.12 H new ATOM 0 HD11 LEU A 84 2.469 1.052 4.463 1.00 13.44 H new ATOM 0 HD12 LEU A 84 2.360 2.473 5.529 1.00 13.44 H new ATOM 0 HD13 LEU A 84 3.950 1.893 4.978 1.00 13.44 H new ATOM 0 HD21 LEU A 84 3.252 -1.109 5.334 1.00 74.22 H new ATOM 0 HD22 LEU A 84 4.788 -0.421 5.911 1.00 74.22 H new ATOM 0 HD23 LEU A 84 3.726 -1.296 7.039 1.00 74.22 H new ATOM 1251 N LEU A 85 0.665 2.388 7.647 1.00 11.31 N ATOM 1252 CA LEU A 85 -0.408 3.002 6.904 1.00 52.32 C ATOM 1253 C LEU A 85 -1.031 4.135 7.706 1.00 24.13 C ATOM 1254 O LEU A 85 -1.232 5.233 7.189 1.00 64.12 O ATOM 1255 CB LEU A 85 -1.466 1.946 6.551 1.00 34.34 C ATOM 1256 CG LEU A 85 -0.955 0.713 5.788 1.00 11.52 C ATOM 1257 CD1 LEU A 85 -2.058 -0.307 5.613 1.00 4.13 C ATOM 1258 CD2 LEU A 85 -0.390 1.103 4.438 1.00 65.04 C ATOM 0 H LEU A 85 0.489 1.415 7.898 1.00 11.31 H new ATOM 0 HA LEU A 85 -0.006 3.421 5.981 1.00 52.32 H new ATOM 0 HB2 LEU A 85 -1.937 1.609 7.474 1.00 34.34 H new ATOM 0 HB3 LEU A 85 -2.242 2.423 5.953 1.00 34.34 H new ATOM 0 HG LEU A 85 -0.156 0.266 6.380 1.00 11.52 H new ATOM 0 HD11 LEU A 85 -1.673 -1.170 5.070 1.00 4.13 H new ATOM 0 HD12 LEU A 85 -2.418 -0.625 6.591 1.00 4.13 H new ATOM 0 HD13 LEU A 85 -2.879 0.138 5.051 1.00 4.13 H new ATOM 0 HD21 LEU A 85 -0.036 0.211 3.920 1.00 65.04 H new ATOM 0 HD22 LEU A 85 -1.167 1.583 3.843 1.00 65.04 H new ATOM 0 HD23 LEU A 85 0.440 1.795 4.577 1.00 65.04 H new ATOM 1270 N THR A 86 -1.262 3.878 8.971 1.00 0.43 N ATOM 1271 CA THR A 86 -1.905 4.835 9.842 1.00 34.51 C ATOM 1272 C THR A 86 -1.018 6.075 10.079 1.00 41.22 C ATOM 1273 O THR A 86 -1.490 7.207 9.944 1.00 23.30 O ATOM 1274 CB THR A 86 -2.315 4.181 11.187 1.00 13.24 C ATOM 1275 OG1 THR A 86 -3.151 3.031 10.923 1.00 20.35 O ATOM 1276 CG2 THR A 86 -3.088 5.159 12.059 1.00 3.13 C ATOM 0 H THR A 86 -1.010 3.001 9.426 1.00 0.43 H new ATOM 0 HA THR A 86 -2.812 5.172 9.340 1.00 34.51 H new ATOM 0 HB THR A 86 -1.408 3.884 11.713 1.00 13.24 H new ATOM 0 HG1 THR A 86 -2.598 2.295 10.588 1.00 20.35 H new ATOM 0 HG21 THR A 86 -3.362 4.673 12.995 1.00 3.13 H new ATOM 0 HG22 THR A 86 -2.466 6.029 12.270 1.00 3.13 H new ATOM 0 HG23 THR A 86 -3.991 5.477 11.537 1.00 3.13 H new ATOM 1284 N ILE A 87 0.271 5.861 10.364 1.00 0.10 N ATOM 1285 CA ILE A 87 1.184 6.977 10.637 1.00 2.13 C ATOM 1286 C ILE A 87 1.305 7.919 9.416 1.00 23.23 C ATOM 1287 O ILE A 87 1.216 9.149 9.557 1.00 14.40 O ATOM 1288 CB ILE A 87 2.585 6.477 11.211 1.00 63.53 C ATOM 1289 CG1 ILE A 87 3.594 7.623 11.500 1.00 64.11 C ATOM 1290 CG2 ILE A 87 3.225 5.425 10.321 1.00 61.14 C ATOM 1291 CD1 ILE A 87 4.410 8.095 10.303 1.00 30.43 C ATOM 0 H ILE A 87 0.702 4.938 10.411 1.00 0.10 H new ATOM 0 HA ILE A 87 0.750 7.580 11.435 1.00 2.13 H new ATOM 0 HB ILE A 87 2.342 6.023 12.172 1.00 63.53 H new ATOM 0 HG12 ILE A 87 3.045 8.474 11.902 1.00 64.11 H new ATOM 0 HG13 ILE A 87 4.281 7.291 12.278 1.00 64.11 H new ATOM 0 HG21 ILE A 87 4.177 5.114 10.752 1.00 61.14 H new ATOM 0 HG22 ILE A 87 2.563 4.562 10.243 1.00 61.14 H new ATOM 0 HG23 ILE A 87 3.395 5.842 9.329 1.00 61.14 H new ATOM 0 HD11 ILE A 87 5.082 8.895 10.613 1.00 30.43 H new ATOM 0 HD12 ILE A 87 4.994 7.263 9.910 1.00 30.43 H new ATOM 0 HD13 ILE A 87 3.739 8.465 9.528 1.00 30.43 H new ATOM 1303 N LEU A 88 1.465 7.345 8.233 1.00 14.24 N ATOM 1304 CA LEU A 88 1.539 8.127 7.003 1.00 15.10 C ATOM 1305 C LEU A 88 0.226 8.811 6.665 1.00 55.51 C ATOM 1306 O LEU A 88 0.213 9.974 6.265 1.00 12.33 O ATOM 1307 CB LEU A 88 1.984 7.282 5.823 1.00 5.31 C ATOM 1308 CG LEU A 88 3.488 7.107 5.572 1.00 43.24 C ATOM 1309 CD1 LEU A 88 4.148 8.426 5.210 1.00 5.42 C ATOM 1310 CD2 LEU A 88 4.185 6.462 6.741 1.00 4.42 C ATOM 0 H LEU A 88 1.547 6.338 8.096 1.00 14.24 H new ATOM 0 HA LEU A 88 2.286 8.898 7.192 1.00 15.10 H new ATOM 0 HB2 LEU A 88 1.551 6.289 5.944 1.00 5.31 H new ATOM 0 HB3 LEU A 88 1.546 7.713 4.923 1.00 5.31 H new ATOM 0 HG LEU A 88 3.588 6.434 4.720 1.00 43.24 H new ATOM 0 HD11 LEU A 88 5.212 8.265 5.039 1.00 5.42 H new ATOM 0 HD12 LEU A 88 3.691 8.825 4.304 1.00 5.42 H new ATOM 0 HD13 LEU A 88 4.015 9.136 6.027 1.00 5.42 H new ATOM 0 HD21 LEU A 88 5.247 6.358 6.519 1.00 4.42 H new ATOM 0 HD22 LEU A 88 4.059 7.083 7.628 1.00 4.42 H new ATOM 0 HD23 LEU A 88 3.754 5.477 6.923 1.00 4.42 H new ATOM 1322 N HIS A 89 -0.873 8.094 6.829 1.00 15.21 N ATOM 1323 CA HIS A 89 -2.190 8.631 6.488 1.00 54.24 C ATOM 1324 C HIS A 89 -2.515 9.807 7.389 1.00 61.44 C ATOM 1325 O HIS A 89 -2.950 10.860 6.919 1.00 1.42 O ATOM 1326 CB HIS A 89 -3.288 7.554 6.600 1.00 2.53 C ATOM 1327 CG HIS A 89 -4.650 8.008 6.128 1.00 23.20 C ATOM 1328 ND1 HIS A 89 -5.631 8.510 6.954 1.00 1.33 N ATOM 1329 CD2 HIS A 89 -5.179 8.022 4.881 1.00 2.53 C ATOM 1330 CE1 HIS A 89 -6.694 8.808 6.206 1.00 43.04 C ATOM 1331 NE2 HIS A 89 -6.473 8.530 4.933 1.00 22.31 N ATOM 0 H HIS A 89 -0.885 7.142 7.194 1.00 15.21 H new ATOM 0 HA HIS A 89 -2.160 8.965 5.451 1.00 54.24 H new ATOM 0 HB2 HIS A 89 -2.987 6.682 6.020 1.00 2.53 H new ATOM 0 HB3 HIS A 89 -3.364 7.235 7.639 1.00 2.53 H new ATOM 0 HD2 HIS A 89 -4.675 7.690 3.986 1.00 2.53 H new ATOM 0 HE1 HIS A 89 -7.615 9.222 6.590 1.00 43.04 H new ATOM 0 HE2 HIS A 89 -7.116 8.661 4.152 1.00 22.31 H new ATOM 1339 N ASP A 90 -2.245 9.642 8.671 1.00 41.34 N ATOM 1340 CA ASP A 90 -2.498 10.690 9.660 1.00 30.00 C ATOM 1341 C ASP A 90 -1.537 11.865 9.420 1.00 23.50 C ATOM 1342 O ASP A 90 -1.852 13.020 9.714 1.00 24.13 O ATOM 1343 CB ASP A 90 -2.317 10.125 11.080 1.00 72.52 C ATOM 1344 CG ASP A 90 -2.786 11.058 12.178 1.00 34.32 C ATOM 1345 OD1 ASP A 90 -2.002 11.909 12.632 1.00 2.05 O ATOM 1346 OD2 ASP A 90 -3.949 10.930 12.636 1.00 11.14 O ATOM 0 H ASP A 90 -1.847 8.787 9.060 1.00 41.34 H new ATOM 0 HA ASP A 90 -3.523 11.047 9.559 1.00 30.00 H new ATOM 0 HB2 ASP A 90 -2.863 9.185 11.158 1.00 72.52 H new ATOM 0 HB3 ASP A 90 -1.263 9.896 11.237 1.00 72.52 H new ATOM 1351 N GLY A 91 -0.382 11.549 8.834 1.00 34.53 N ATOM 1352 CA GLY A 91 0.620 12.550 8.511 1.00 42.44 C ATOM 1353 C GLY A 91 0.306 13.331 7.232 1.00 42.45 C ATOM 1354 O GLY A 91 0.972 14.328 6.931 1.00 1.24 O ATOM 0 H GLY A 91 -0.121 10.598 8.574 1.00 34.53 H new ATOM 0 HA2 GLY A 91 0.707 13.249 9.343 1.00 42.44 H new ATOM 0 HA3 GLY A 91 1.589 12.062 8.402 1.00 42.44 H new ATOM 1358 N GLY A 92 -0.696 12.890 6.492 1.00 32.43 N ATOM 1359 CA GLY A 92 -1.098 13.589 5.279 1.00 65.31 C ATOM 1360 C GLY A 92 -0.391 13.076 4.036 1.00 53.24 C ATOM 1361 O GLY A 92 0.241 13.850 3.298 1.00 22.14 O ATOM 0 H GLY A 92 -1.245 12.057 6.706 1.00 32.43 H new ATOM 0 HA2 GLY A 92 -2.175 13.485 5.147 1.00 65.31 H new ATOM 0 HA3 GLY A 92 -0.892 14.653 5.394 1.00 65.31 H new ATOM 1365 N TYR A 93 -0.464 11.774 3.817 1.00 64.14 N ATOM 1366 CA TYR A 93 0.139 11.154 2.651 1.00 45.33 C ATOM 1367 C TYR A 93 -0.841 10.258 1.933 1.00 3.34 C ATOM 1368 O TYR A 93 -1.609 9.513 2.566 1.00 40.20 O ATOM 1369 CB TYR A 93 1.426 10.395 3.010 1.00 52.22 C ATOM 1370 CG TYR A 93 2.552 11.324 3.380 1.00 64.31 C ATOM 1371 CD1 TYR A 93 2.702 11.785 4.676 1.00 22.14 C ATOM 1372 CD2 TYR A 93 3.443 11.771 2.417 1.00 31.44 C ATOM 1373 CE1 TYR A 93 3.707 12.657 5.000 1.00 32.22 C ATOM 1374 CE2 TYR A 93 4.450 12.646 2.736 1.00 43.34 C ATOM 1375 CZ TYR A 93 4.577 13.086 4.028 1.00 42.23 C ATOM 1376 OH TYR A 93 5.585 13.969 4.355 1.00 5.05 O ATOM 0 H TYR A 93 -0.940 11.121 4.439 1.00 64.14 H new ATOM 0 HA TYR A 93 0.415 11.958 1.968 1.00 45.33 H new ATOM 0 HB2 TYR A 93 1.227 9.719 3.842 1.00 52.22 H new ATOM 0 HB3 TYR A 93 1.730 9.778 2.164 1.00 52.22 H new ATOM 0 HD1 TYR A 93 2.017 11.453 5.442 1.00 22.14 H new ATOM 0 HD2 TYR A 93 3.343 11.425 1.399 1.00 31.44 H new ATOM 0 HE1 TYR A 93 3.815 13.006 6.016 1.00 32.22 H new ATOM 0 HE2 TYR A 93 5.137 12.986 1.975 1.00 43.34 H new ATOM 0 HH TYR A 93 5.751 13.934 5.320 1.00 5.05 H new ATOM 1386 N ARG A 94 -0.832 10.358 0.628 1.00 44.10 N ATOM 1387 CA ARG A 94 -1.708 9.583 -0.237 1.00 62.44 C ATOM 1388 C ARG A 94 -1.148 8.174 -0.457 1.00 15.11 C ATOM 1389 O ARG A 94 0.020 7.896 -0.132 1.00 53.51 O ATOM 1390 CB ARG A 94 -1.885 10.297 -1.591 1.00 41.55 C ATOM 1391 CG ARG A 94 -0.589 10.452 -2.351 1.00 41.14 C ATOM 1392 CD ARG A 94 -0.729 11.285 -3.606 1.00 22.14 C ATOM 1393 NE ARG A 94 0.520 11.279 -4.400 1.00 75.04 N ATOM 1394 CZ ARG A 94 0.590 11.429 -5.730 1.00 11.45 C ATOM 1395 NH1 ARG A 94 -0.504 11.655 -6.444 1.00 42.24 N ATOM 1396 NH2 ARG A 94 1.760 11.364 -6.324 1.00 4.12 N ATOM 0 H ARG A 94 -0.209 10.987 0.122 1.00 44.10 H new ATOM 0 HA ARG A 94 -2.679 9.496 0.250 1.00 62.44 H new ATOM 0 HB2 ARG A 94 -2.593 9.736 -2.201 1.00 41.55 H new ATOM 0 HB3 ARG A 94 -2.321 11.282 -1.422 1.00 41.55 H new ATOM 0 HG2 ARG A 94 0.154 10.911 -1.699 1.00 41.14 H new ATOM 0 HG3 ARG A 94 -0.212 9.465 -2.618 1.00 41.14 H new ATOM 0 HD2 ARG A 94 -1.549 10.898 -4.212 1.00 22.14 H new ATOM 0 HD3 ARG A 94 -0.986 12.310 -3.338 1.00 22.14 H new ATOM 0 HE ARG A 94 1.397 11.151 -3.895 1.00 75.04 H new ATOM 0 HH11 ARG A 94 -1.411 11.716 -5.982 1.00 42.24 H new ATOM 0 HH12 ARG A 94 -0.439 11.768 -7.456 1.00 42.24 H new ATOM 0 HH21 ARG A 94 2.603 11.201 -5.774 1.00 4.12 H new ATOM 0 HH22 ARG A 94 1.825 11.477 -7.336 1.00 4.12 H new ATOM 1410 N ASP A 95 -1.968 7.330 -1.055 1.00 41.04 N ATOM 1411 CA ASP A 95 -1.670 5.913 -1.343 1.00 75.34 C ATOM 1412 C ASP A 95 -0.387 5.762 -2.145 1.00 21.34 C ATOM 1413 O ASP A 95 0.478 4.947 -1.811 1.00 40.10 O ATOM 1414 CB ASP A 95 -2.848 5.280 -2.130 1.00 74.53 C ATOM 1415 CG ASP A 95 -3.109 5.966 -3.471 1.00 65.15 C ATOM 1416 OD1 ASP A 95 -3.403 7.184 -3.471 1.00 71.14 O ATOM 1417 OD2 ASP A 95 -2.957 5.343 -4.522 1.00 1.21 O ATOM 0 H ASP A 95 -2.897 7.609 -1.370 1.00 41.04 H new ATOM 0 HA ASP A 95 -1.537 5.400 -0.391 1.00 75.34 H new ATOM 0 HB2 ASP A 95 -2.636 4.225 -2.303 1.00 74.53 H new ATOM 0 HB3 ASP A 95 -3.751 5.328 -1.522 1.00 74.53 H new ATOM 1422 N THR A 96 -0.251 6.584 -3.154 1.00 52.32 N ATOM 1423 CA THR A 96 0.872 6.569 -4.029 1.00 15.23 C ATOM 1424 C THR A 96 2.170 6.872 -3.267 1.00 30.23 C ATOM 1425 O THR A 96 3.189 6.239 -3.497 1.00 44.45 O ATOM 1426 CB THR A 96 0.633 7.526 -5.199 1.00 34.42 C ATOM 1427 OG1 THR A 96 -0.658 7.207 -5.769 1.00 73.04 O ATOM 1428 CG2 THR A 96 1.700 7.366 -6.270 1.00 11.03 C ATOM 0 H THR A 96 -0.942 7.297 -3.388 1.00 52.32 H new ATOM 0 HA THR A 96 0.992 5.569 -4.445 1.00 15.23 H new ATOM 0 HB THR A 96 0.670 8.554 -4.838 1.00 34.42 H new ATOM 0 HG1 THR A 96 -1.124 8.035 -6.006 1.00 73.04 H new ATOM 0 HG21 THR A 96 1.502 8.059 -7.087 1.00 11.03 H new ATOM 0 HG22 THR A 96 2.680 7.579 -5.842 1.00 11.03 H new ATOM 0 HG23 THR A 96 1.684 6.344 -6.649 1.00 11.03 H new ATOM 1436 N GLU A 97 2.111 7.824 -2.333 1.00 55.44 N ATOM 1437 CA GLU A 97 3.290 8.179 -1.558 1.00 72.24 C ATOM 1438 C GLU A 97 3.726 7.033 -0.664 1.00 72.42 C ATOM 1439 O GLU A 97 4.912 6.825 -0.476 1.00 13.14 O ATOM 1440 CB GLU A 97 3.088 9.439 -0.722 1.00 32.53 C ATOM 1441 CG GLU A 97 2.763 10.673 -1.535 1.00 14.52 C ATOM 1442 CD GLU A 97 3.745 10.942 -2.634 1.00 55.43 C ATOM 1443 OE1 GLU A 97 4.904 11.299 -2.352 1.00 11.03 O ATOM 1444 OE2 GLU A 97 3.350 10.828 -3.818 1.00 63.21 O ATOM 0 H GLU A 97 1.270 8.353 -2.101 1.00 55.44 H new ATOM 0 HA GLU A 97 4.077 8.387 -2.283 1.00 72.24 H new ATOM 0 HB2 GLU A 97 2.282 9.264 -0.009 1.00 32.53 H new ATOM 0 HB3 GLU A 97 3.992 9.626 -0.142 1.00 32.53 H new ATOM 0 HG2 GLU A 97 1.768 10.562 -1.967 1.00 14.52 H new ATOM 0 HG3 GLU A 97 2.728 11.537 -0.871 1.00 14.52 H new ATOM 1451 N ILE A 98 2.764 6.264 -0.145 1.00 31.45 N ATOM 1452 CA ILE A 98 3.102 5.131 0.729 1.00 63.04 C ATOM 1453 C ILE A 98 3.910 4.126 -0.080 1.00 62.34 C ATOM 1454 O ILE A 98 4.995 3.692 0.316 1.00 54.12 O ATOM 1455 CB ILE A 98 1.848 4.364 1.269 1.00 62.44 C ATOM 1456 CG1 ILE A 98 0.750 5.287 1.791 1.00 42.43 C ATOM 1457 CG2 ILE A 98 2.252 3.406 2.365 1.00 40.44 C ATOM 1458 CD1 ILE A 98 1.209 6.348 2.749 1.00 45.23 C ATOM 0 H ILE A 98 1.766 6.398 -0.308 1.00 31.45 H new ATOM 0 HA ILE A 98 3.646 5.544 1.579 1.00 63.04 H new ATOM 0 HB ILE A 98 1.437 3.822 0.418 1.00 62.44 H new ATOM 0 HG12 ILE A 98 0.270 5.771 0.941 1.00 42.43 H new ATOM 0 HG13 ILE A 98 -0.010 4.680 2.283 1.00 42.43 H new ATOM 0 HG21 ILE A 98 1.371 2.880 2.731 1.00 40.44 H new ATOM 0 HG22 ILE A 98 2.968 2.685 1.972 1.00 40.44 H new ATOM 0 HG23 ILE A 98 2.709 3.962 3.184 1.00 40.44 H new ATOM 0 HD11 ILE A 98 0.356 6.950 3.061 1.00 45.23 H new ATOM 0 HD12 ILE A 98 1.661 5.878 3.623 1.00 45.23 H new ATOM 0 HD13 ILE A 98 1.944 6.987 2.260 1.00 45.23 H new ATOM 1470 N MET A 99 3.392 3.840 -1.261 1.00 72.13 N ATOM 1471 CA MET A 99 3.983 2.864 -2.162 1.00 43.33 C ATOM 1472 C MET A 99 5.300 3.384 -2.724 1.00 10.40 C ATOM 1473 O MET A 99 6.146 2.607 -3.137 1.00 41.44 O ATOM 1474 CB MET A 99 3.043 2.575 -3.339 1.00 33.00 C ATOM 1475 CG MET A 99 1.624 2.195 -2.975 1.00 23.52 C ATOM 1476 SD MET A 99 1.495 0.712 -1.976 1.00 3.52 S ATOM 1477 CE MET A 99 -0.281 0.638 -1.778 1.00 73.54 C ATOM 0 H MET A 99 2.546 4.279 -1.625 1.00 72.13 H new ATOM 0 HA MET A 99 4.154 1.952 -1.590 1.00 43.33 H new ATOM 0 HB2 MET A 99 3.010 3.458 -3.977 1.00 33.00 H new ATOM 0 HB3 MET A 99 3.473 1.769 -3.933 1.00 33.00 H new ATOM 0 HG2 MET A 99 1.164 3.024 -2.436 1.00 23.52 H new ATOM 0 HG3 MET A 99 1.051 2.054 -3.891 1.00 23.52 H new ATOM 0 HE1 MET A 99 -0.526 -0.000 -0.929 1.00 73.54 H new ATOM 0 HE2 MET A 99 -0.670 1.641 -1.602 1.00 73.54 H new ATOM 0 HE3 MET A 99 -0.731 0.228 -2.682 1.00 73.54 H new ATOM 1487 N ARG A 100 5.462 4.701 -2.705 1.00 64.54 N ATOM 1488 CA ARG A 100 6.608 5.370 -3.290 1.00 64.11 C ATOM 1489 C ARG A 100 7.886 4.852 -2.651 1.00 25.30 C ATOM 1490 O ARG A 100 8.669 4.163 -3.286 1.00 65.14 O ATOM 1491 CB ARG A 100 6.486 6.862 -3.037 1.00 12.14 C ATOM 1492 CG ARG A 100 7.441 7.750 -3.790 1.00 64.52 C ATOM 1493 CD ARG A 100 7.463 9.117 -3.143 1.00 25.31 C ATOM 1494 NE ARG A 100 8.257 9.100 -1.915 1.00 35.13 N ATOM 1495 CZ ARG A 100 8.101 9.922 -0.877 1.00 10.41 C ATOM 1496 NH1 ARG A 100 7.083 10.782 -0.836 1.00 32.40 N ATOM 1497 NH2 ARG A 100 8.968 9.866 0.131 1.00 70.34 N ATOM 0 H ARG A 100 4.791 5.339 -2.277 1.00 64.54 H new ATOM 0 HA ARG A 100 6.640 5.175 -4.362 1.00 64.11 H new ATOM 0 HB2 ARG A 100 5.469 7.168 -3.283 1.00 12.14 H new ATOM 0 HB3 ARG A 100 6.623 7.040 -1.970 1.00 12.14 H new ATOM 0 HG2 ARG A 100 8.441 7.316 -3.785 1.00 64.52 H new ATOM 0 HG3 ARG A 100 7.134 7.833 -4.833 1.00 64.52 H new ATOM 0 HD2 ARG A 100 7.877 9.847 -3.839 1.00 25.31 H new ATOM 0 HD3 ARG A 100 6.445 9.434 -2.918 1.00 25.31 H new ATOM 0 HE ARG A 100 8.994 8.398 -1.847 1.00 35.13 H new ATOM 0 HH11 ARG A 100 6.413 10.816 -1.604 1.00 32.40 H new ATOM 0 HH12 ARG A 100 6.974 11.406 -0.036 1.00 32.40 H new ATOM 0 HH21 ARG A 100 9.740 9.200 0.103 1.00 70.34 H new ATOM 0 HH22 ARG A 100 8.861 10.489 0.931 1.00 70.34 H new ATOM 1511 N TRP A 101 8.062 5.148 -1.383 1.00 64.44 N ATOM 1512 CA TRP A 101 9.239 4.710 -0.656 1.00 31.25 C ATOM 1513 C TRP A 101 9.264 3.205 -0.429 1.00 73.34 C ATOM 1514 O TRP A 101 10.324 2.607 -0.386 1.00 71.34 O ATOM 1515 CB TRP A 101 9.467 5.509 0.634 1.00 72.10 C ATOM 1516 CG TRP A 101 8.257 5.698 1.477 1.00 74.23 C ATOM 1517 CD1 TRP A 101 7.437 6.782 1.478 1.00 33.14 C ATOM 1518 CD2 TRP A 101 7.730 4.791 2.444 1.00 20.12 C ATOM 1519 NE1 TRP A 101 6.442 6.612 2.386 1.00 44.24 N ATOM 1520 CE2 TRP A 101 6.595 5.392 2.994 1.00 64.25 C ATOM 1521 CE3 TRP A 101 8.108 3.529 2.895 1.00 74.23 C ATOM 1522 CZ2 TRP A 101 5.839 4.774 3.976 1.00 62.44 C ATOM 1523 CZ3 TRP A 101 7.353 2.921 3.862 1.00 1.33 C ATOM 1524 CH2 TRP A 101 6.230 3.540 4.396 1.00 33.54 C ATOM 0 H TRP A 101 7.402 5.693 -0.828 1.00 64.44 H new ATOM 0 HA TRP A 101 10.091 4.929 -1.300 1.00 31.25 H new ATOM 0 HB2 TRP A 101 10.229 5.004 1.227 1.00 72.10 H new ATOM 0 HB3 TRP A 101 9.865 6.489 0.371 1.00 72.10 H new ATOM 0 HD1 TRP A 101 7.559 7.651 0.849 1.00 33.14 H new ATOM 0 HE1 TRP A 101 5.700 7.283 2.584 1.00 44.24 H new ATOM 0 HE3 TRP A 101 8.981 3.039 2.489 1.00 74.23 H new ATOM 0 HZ2 TRP A 101 4.968 5.256 4.395 1.00 62.44 H new ATOM 0 HZ3 TRP A 101 7.636 1.941 4.216 1.00 1.33 H new ATOM 0 HH2 TRP A 101 5.657 3.033 5.158 1.00 33.54 H new ATOM 1535 N LEU A 102 8.089 2.608 -0.283 1.00 24.53 N ATOM 1536 CA LEU A 102 7.967 1.167 -0.079 1.00 3.33 C ATOM 1537 C LEU A 102 8.513 0.360 -1.241 1.00 70.31 C ATOM 1538 O LEU A 102 9.146 -0.679 -1.037 1.00 33.05 O ATOM 1539 CB LEU A 102 6.516 0.761 0.191 1.00 50.12 C ATOM 1540 CG LEU A 102 6.029 0.782 1.630 1.00 71.04 C ATOM 1541 CD1 LEU A 102 4.548 0.481 1.673 1.00 73.44 C ATOM 1542 CD2 LEU A 102 6.781 -0.249 2.445 1.00 35.23 C ATOM 0 H LEU A 102 7.197 3.103 -0.302 1.00 24.53 H new ATOM 0 HA LEU A 102 8.573 0.940 0.798 1.00 3.33 H new ATOM 0 HB2 LEU A 102 5.871 1.419 -0.390 1.00 50.12 H new ATOM 0 HB3 LEU A 102 6.373 -0.248 -0.196 1.00 50.12 H new ATOM 0 HG LEU A 102 6.209 1.771 2.051 1.00 71.04 H new ATOM 0 HD11 LEU A 102 4.203 0.497 2.707 1.00 73.44 H new ATOM 0 HD12 LEU A 102 4.007 1.233 1.098 1.00 73.44 H new ATOM 0 HD13 LEU A 102 4.364 -0.504 1.245 1.00 73.44 H new ATOM 0 HD21 LEU A 102 6.426 -0.228 3.475 1.00 35.23 H new ATOM 0 HD22 LEU A 102 6.612 -1.240 2.023 1.00 35.23 H new ATOM 0 HD23 LEU A 102 7.847 -0.023 2.424 1.00 35.23 H new ATOM 1554 N PHE A 103 8.269 0.812 -2.440 1.00 72.35 N ATOM 1555 CA PHE A 103 8.706 0.077 -3.594 1.00 70.03 C ATOM 1556 C PHE A 103 9.992 0.601 -4.181 1.00 3.45 C ATOM 1557 O PHE A 103 10.584 -0.045 -5.036 1.00 34.43 O ATOM 1558 CB PHE A 103 7.601 -0.043 -4.634 1.00 13.14 C ATOM 1559 CG PHE A 103 6.459 -0.898 -4.165 1.00 21.32 C ATOM 1560 CD1 PHE A 103 5.399 -0.354 -3.461 1.00 11.32 C ATOM 1561 CD2 PHE A 103 6.450 -2.251 -4.426 1.00 32.52 C ATOM 1562 CE1 PHE A 103 4.358 -1.136 -3.032 1.00 42.40 C ATOM 1563 CE2 PHE A 103 5.409 -3.042 -3.999 1.00 22.42 C ATOM 1564 CZ PHE A 103 4.359 -2.479 -3.302 1.00 54.03 C ATOM 0 H PHE A 103 7.773 1.680 -2.643 1.00 72.35 H new ATOM 0 HA PHE A 103 8.935 -0.931 -3.247 1.00 70.03 H new ATOM 0 HB2 PHE A 103 7.229 0.951 -4.880 1.00 13.14 H new ATOM 0 HB3 PHE A 103 8.014 -0.465 -5.551 1.00 13.14 H new ATOM 0 HD1 PHE A 103 5.392 0.704 -3.246 1.00 11.32 H new ATOM 0 HD2 PHE A 103 7.269 -2.695 -4.972 1.00 32.52 H new ATOM 0 HE1 PHE A 103 3.540 -0.695 -2.483 1.00 42.40 H new ATOM 0 HE2 PHE A 103 5.413 -4.101 -4.209 1.00 22.42 H new ATOM 0 HZ PHE A 103 3.538 -3.097 -2.970 1.00 54.03 H new ATOM 1574 N THR A 104 10.440 1.740 -3.720 1.00 3.15 N ATOM 1575 CA THR A 104 11.704 2.255 -4.169 1.00 45.00 C ATOM 1576 C THR A 104 12.817 1.647 -3.299 1.00 71.01 C ATOM 1577 O THR A 104 12.836 1.845 -2.081 1.00 51.12 O ATOM 1578 CB THR A 104 11.743 3.803 -4.128 1.00 72.14 C ATOM 1579 OG1 THR A 104 10.674 4.318 -4.948 1.00 22.23 O ATOM 1580 CG2 THR A 104 13.067 4.331 -4.664 1.00 15.44 C ATOM 0 H THR A 104 9.952 2.323 -3.040 1.00 3.15 H new ATOM 0 HA THR A 104 11.855 1.972 -5.211 1.00 45.00 H new ATOM 0 HB THR A 104 11.630 4.126 -3.093 1.00 72.14 H new ATOM 0 HG1 THR A 104 9.813 4.017 -4.590 1.00 22.23 H new ATOM 0 HG21 THR A 104 13.067 5.420 -4.624 1.00 15.44 H new ATOM 0 HG22 THR A 104 13.885 3.945 -4.056 1.00 15.44 H new ATOM 0 HG23 THR A 104 13.197 4.006 -5.696 1.00 15.44 H new ATOM 1588 N PRO A 105 13.718 0.849 -3.903 1.00 22.53 N ATOM 1589 CA PRO A 105 14.779 0.168 -3.176 1.00 45.41 C ATOM 1590 C PRO A 105 15.805 1.122 -2.596 1.00 72.42 C ATOM 1591 O PRO A 105 15.988 2.249 -3.091 1.00 74.32 O ATOM 1592 CB PRO A 105 15.442 -0.724 -4.230 1.00 75.23 C ATOM 1593 CG PRO A 105 14.510 -0.742 -5.382 1.00 45.00 C ATOM 1594 CD PRO A 105 13.781 0.554 -5.342 1.00 2.52 C ATOM 0 HA PRO A 105 14.376 -0.377 -2.323 1.00 45.41 H new ATOM 0 HB2 PRO A 105 16.416 -0.330 -4.520 1.00 75.23 H new ATOM 0 HB3 PRO A 105 15.607 -1.730 -3.844 1.00 75.23 H new ATOM 0 HG2 PRO A 105 15.052 -0.855 -6.321 1.00 45.00 H new ATOM 0 HG3 PRO A 105 13.818 -1.581 -5.310 1.00 45.00 H new ATOM 0 HD2 PRO A 105 14.310 1.333 -5.892 1.00 2.52 H new ATOM 0 HD3 PRO A 105 12.787 0.473 -5.782 1.00 2.52 H new ATOM 1602 N ASP A 106 16.456 0.687 -1.551 1.00 4.25 N ATOM 1603 CA ASP A 106 17.508 1.466 -0.937 1.00 72.55 C ATOM 1604 C ASP A 106 18.835 0.930 -1.421 1.00 30.21 C ATOM 1605 O ASP A 106 19.133 -0.252 -1.218 1.00 44.50 O ATOM 1606 CB ASP A 106 17.451 1.382 0.582 1.00 13.01 C ATOM 1607 CG ASP A 106 18.498 2.248 1.263 1.00 24.11 C ATOM 1608 OD1 ASP A 106 19.659 1.826 1.400 1.00 65.01 O ATOM 1609 OD2 ASP A 106 18.163 3.351 1.706 1.00 32.31 O ATOM 0 H ASP A 106 16.277 -0.210 -1.100 1.00 4.25 H new ATOM 0 HA ASP A 106 17.383 2.512 -1.216 1.00 72.55 H new ATOM 0 HB2 ASP A 106 16.460 1.685 0.920 1.00 13.01 H new ATOM 0 HB3 ASP A 106 17.589 0.345 0.889 1.00 13.01 H new ATOM 1614 N PRO A 107 19.646 1.772 -2.076 1.00 43.32 N ATOM 1615 CA PRO A 107 20.939 1.362 -2.659 1.00 23.04 C ATOM 1616 C PRO A 107 21.926 0.819 -1.630 1.00 72.20 C ATOM 1617 O PRO A 107 22.794 0.002 -1.951 1.00 20.34 O ATOM 1618 CB PRO A 107 21.497 2.656 -3.249 1.00 45.33 C ATOM 1619 CG PRO A 107 20.330 3.563 -3.392 1.00 10.34 C ATOM 1620 CD PRO A 107 19.365 3.196 -2.319 1.00 41.42 C ATOM 0 HA PRO A 107 20.796 0.554 -3.377 1.00 23.04 H new ATOM 0 HB2 PRO A 107 22.254 3.091 -2.596 1.00 45.33 H new ATOM 0 HB3 PRO A 107 21.973 2.475 -4.212 1.00 45.33 H new ATOM 0 HG2 PRO A 107 20.636 4.605 -3.297 1.00 10.34 H new ATOM 0 HG3 PRO A 107 19.874 3.454 -4.376 1.00 10.34 H new ATOM 0 HD2 PRO A 107 19.517 3.794 -1.421 1.00 41.42 H new ATOM 0 HD3 PRO A 107 18.334 3.353 -2.636 1.00 41.42 H new ATOM 1628 N SER A 108 21.790 1.264 -0.410 1.00 4.02 N ATOM 1629 CA SER A 108 22.713 0.895 0.636 1.00 62.11 C ATOM 1630 C SER A 108 22.158 -0.222 1.533 1.00 1.25 C ATOM 1631 O SER A 108 22.791 -0.642 2.501 1.00 32.55 O ATOM 1632 CB SER A 108 23.108 2.151 1.431 1.00 30.15 C ATOM 1633 OG SER A 108 21.960 2.969 1.724 1.00 53.14 O ATOM 0 H SER A 108 21.042 1.889 -0.111 1.00 4.02 H new ATOM 0 HA SER A 108 23.612 0.478 0.182 1.00 62.11 H new ATOM 0 HB2 SER A 108 23.594 1.857 2.361 1.00 30.15 H new ATOM 0 HB3 SER A 108 23.834 2.731 0.861 1.00 30.15 H new ATOM 0 HG SER A 108 21.172 2.398 1.837 1.00 53.14 H new ATOM 1639 N LEU A 109 21.006 -0.726 1.181 1.00 2.32 N ATOM 1640 CA LEU A 109 20.359 -1.736 1.966 1.00 75.55 C ATOM 1641 C LEU A 109 20.561 -3.087 1.313 1.00 72.32 C ATOM 1642 O LEU A 109 20.553 -3.196 0.098 1.00 21.03 O ATOM 1643 CB LEU A 109 18.869 -1.411 2.054 1.00 34.32 C ATOM 1644 CG LEU A 109 18.005 -2.283 2.953 1.00 63.01 C ATOM 1645 CD1 LEU A 109 18.456 -2.170 4.395 1.00 22.44 C ATOM 1646 CD2 LEU A 109 16.540 -1.897 2.814 1.00 5.23 C ATOM 0 H LEU A 109 20.493 -0.448 0.345 1.00 2.32 H new ATOM 0 HA LEU A 109 20.784 -1.763 2.969 1.00 75.55 H new ATOM 0 HB2 LEU A 109 18.771 -0.380 2.393 1.00 34.32 H new ATOM 0 HB3 LEU A 109 18.456 -1.456 1.046 1.00 34.32 H new ATOM 0 HG LEU A 109 18.117 -3.322 2.642 1.00 63.01 H new ATOM 0 HD11 LEU A 109 17.827 -2.800 5.023 1.00 22.44 H new ATOM 0 HD12 LEU A 109 19.493 -2.495 4.478 1.00 22.44 H new ATOM 0 HD13 LEU A 109 18.373 -1.134 4.722 1.00 22.44 H new ATOM 0 HD21 LEU A 109 15.934 -2.529 3.463 1.00 5.23 H new ATOM 0 HD22 LEU A 109 16.410 -0.853 3.100 1.00 5.23 H new ATOM 0 HD23 LEU A 109 16.225 -2.032 1.779 1.00 5.23 H new ATOM 1658 N THR A 110 20.812 -4.089 2.101 1.00 32.43 N ATOM 1659 CA THR A 110 20.947 -5.432 1.612 1.00 64.04 C ATOM 1660 C THR A 110 20.065 -6.361 2.441 1.00 4.40 C ATOM 1661 O THR A 110 20.217 -6.460 3.658 1.00 74.24 O ATOM 1662 CB THR A 110 22.420 -5.873 1.626 1.00 13.43 C ATOM 1663 OG1 THR A 110 23.173 -4.915 0.848 1.00 31.24 O ATOM 1664 CG2 THR A 110 22.579 -7.258 1.010 1.00 63.44 C ATOM 0 H THR A 110 20.930 -3.999 3.110 1.00 32.43 H new ATOM 0 HA THR A 110 20.615 -5.478 0.575 1.00 64.04 H new ATOM 0 HB THR A 110 22.780 -5.917 2.654 1.00 13.43 H new ATOM 0 HG1 THR A 110 23.487 -5.339 0.022 1.00 31.24 H new ATOM 0 HG21 THR A 110 23.630 -7.547 1.032 1.00 63.44 H new ATOM 0 HG22 THR A 110 21.992 -7.979 1.579 1.00 63.44 H new ATOM 0 HG23 THR A 110 22.229 -7.240 -0.022 1.00 63.44 H new ATOM 1672 N ILE A 111 19.122 -6.982 1.778 1.00 25.13 N ATOM 1673 CA ILE A 111 18.119 -7.814 2.406 1.00 52.23 C ATOM 1674 C ILE A 111 18.101 -9.155 1.696 1.00 5.33 C ATOM 1675 O ILE A 111 18.472 -9.239 0.537 1.00 41.23 O ATOM 1676 CB ILE A 111 16.717 -7.143 2.205 1.00 34.32 C ATOM 1677 CG1 ILE A 111 16.694 -5.709 2.724 1.00 3.45 C ATOM 1678 CG2 ILE A 111 15.570 -7.940 2.811 1.00 64.24 C ATOM 1679 CD1 ILE A 111 16.880 -5.576 4.227 1.00 54.31 C ATOM 0 H ILE A 111 19.026 -6.924 0.764 1.00 25.13 H new ATOM 0 HA ILE A 111 18.338 -7.937 3.467 1.00 52.23 H new ATOM 0 HB ILE A 111 16.560 -7.129 1.126 1.00 34.32 H new ATOM 0 HG12 ILE A 111 17.479 -5.143 2.223 1.00 3.45 H new ATOM 0 HG13 ILE A 111 15.744 -5.252 2.447 1.00 3.45 H new ATOM 0 HG21 ILE A 111 14.630 -7.417 2.634 1.00 64.24 H new ATOM 0 HG22 ILE A 111 15.529 -8.927 2.349 1.00 64.24 H new ATOM 0 HG23 ILE A 111 15.729 -8.048 3.884 1.00 64.24 H new ATOM 0 HD11 ILE A 111 16.850 -4.523 4.506 1.00 54.31 H new ATOM 0 HD12 ILE A 111 16.081 -6.110 4.741 1.00 54.31 H new ATOM 0 HD13 ILE A 111 17.843 -6.000 4.513 1.00 54.31 H new ATOM 1805 N VAL A 120 20.366 -9.765 -1.299 1.00 51.21 N ATOM 1806 CA VAL A 120 20.227 -8.888 -2.422 1.00 34.21 C ATOM 1807 C VAL A 120 20.452 -7.461 -1.964 1.00 4.01 C ATOM 1808 O VAL A 120 19.762 -6.969 -1.048 1.00 31.54 O ATOM 1809 CB VAL A 120 18.804 -8.998 -3.048 1.00 14.40 C ATOM 1810 CG1 VAL A 120 18.667 -8.100 -4.273 1.00 43.35 C ATOM 1811 CG2 VAL A 120 18.467 -10.442 -3.402 1.00 75.11 C ATOM 0 HA VAL A 120 20.961 -9.172 -3.176 1.00 34.21 H new ATOM 0 HB VAL A 120 18.091 -8.657 -2.297 1.00 14.40 H new ATOM 0 HG11 VAL A 120 17.663 -8.199 -4.687 1.00 43.35 H new ATOM 0 HG12 VAL A 120 18.840 -7.063 -3.985 1.00 43.35 H new ATOM 0 HG13 VAL A 120 19.400 -8.395 -5.024 1.00 43.35 H new ATOM 0 HG21 VAL A 120 17.468 -10.487 -3.837 1.00 75.11 H new ATOM 0 HG22 VAL A 120 19.193 -10.819 -4.122 1.00 75.11 H new ATOM 0 HG23 VAL A 120 18.498 -11.054 -2.501 1.00 75.11 H new ATOM 1821 N SER A 121 21.426 -6.821 -2.535 1.00 21.34 N ATOM 1822 CA SER A 121 21.671 -5.449 -2.262 1.00 51.43 C ATOM 1823 C SER A 121 20.729 -4.629 -3.107 1.00 2.24 C ATOM 1824 O SER A 121 20.462 -4.987 -4.263 1.00 11.33 O ATOM 1825 CB SER A 121 23.128 -5.108 -2.546 1.00 62.11 C ATOM 1826 OG SER A 121 23.987 -5.912 -1.736 1.00 15.04 O ATOM 0 H SER A 121 22.071 -7.241 -3.204 1.00 21.34 H new ATOM 0 HA SER A 121 21.492 -5.227 -1.210 1.00 51.43 H new ATOM 0 HB2 SER A 121 23.350 -5.274 -3.600 1.00 62.11 H new ATOM 0 HB3 SER A 121 23.308 -4.052 -2.344 1.00 62.11 H new ATOM 0 HG SER A 121 24.922 -5.687 -1.927 1.00 15.04 H new ATOM 1832 N ASN A 122 20.187 -3.592 -2.508 1.00 35.53 N ATOM 1833 CA ASN A 122 19.222 -2.716 -3.125 1.00 3.44 C ATOM 1834 C ASN A 122 17.872 -3.429 -3.256 1.00 54.22 C ATOM 1835 O ASN A 122 17.462 -3.881 -4.339 1.00 61.42 O ATOM 1836 CB ASN A 122 19.758 -2.096 -4.453 1.00 15.32 C ATOM 1837 CG ASN A 122 18.796 -1.158 -5.153 1.00 33.22 C ATOM 1838 OD1 ASN A 122 18.730 0.031 -4.846 1.00 2.05 O ATOM 1839 ND2 ASN A 122 18.088 -1.662 -6.131 1.00 71.51 N ATOM 0 H ASN A 122 20.414 -3.329 -1.549 1.00 35.53 H new ATOM 0 HA ASN A 122 19.054 -1.856 -2.477 1.00 3.44 H new ATOM 0 HB2 ASN A 122 20.679 -1.554 -4.238 1.00 15.32 H new ATOM 0 HB3 ASN A 122 20.016 -2.905 -5.136 1.00 15.32 H new ATOM 0 HD21 ASN A 122 17.457 -1.064 -6.665 1.00 71.51 H new ATOM 0 HD22 ASN A 122 18.167 -2.653 -6.360 1.00 71.51 H new ATOM 1846 N ALA A 123 17.249 -3.650 -2.105 1.00 34.31 N ATOM 1847 CA ALA A 123 15.935 -4.241 -2.036 1.00 65.53 C ATOM 1848 C ALA A 123 14.954 -3.181 -1.565 1.00 53.15 C ATOM 1849 O ALA A 123 15.379 -2.108 -1.085 1.00 35.52 O ATOM 1850 CB ALA A 123 15.942 -5.436 -1.093 1.00 21.33 C ATOM 0 H ALA A 123 17.649 -3.421 -1.195 1.00 34.31 H new ATOM 0 HA ALA A 123 15.634 -4.601 -3.020 1.00 65.53 H new ATOM 0 HB1 ALA A 123 14.944 -5.872 -1.051 1.00 21.33 H new ATOM 0 HB2 ALA A 123 16.649 -6.182 -1.456 1.00 21.33 H new ATOM 0 HB3 ALA A 123 16.238 -5.111 -0.096 1.00 21.33 H new ATOM 1856 N ARG A 124 13.677 -3.452 -1.685 1.00 65.14 N ATOM 1857 CA ARG A 124 12.664 -2.484 -1.313 1.00 32.35 C ATOM 1858 C ARG A 124 12.225 -2.750 0.134 1.00 63.30 C ATOM 1859 O ARG A 124 12.294 -3.892 0.595 1.00 53.23 O ATOM 1860 CB ARG A 124 11.460 -2.544 -2.297 1.00 61.32 C ATOM 1861 CG ARG A 124 10.682 -3.852 -2.263 1.00 63.44 C ATOM 1862 CD ARG A 124 9.557 -3.915 -3.292 1.00 4.54 C ATOM 1863 NE ARG A 124 10.045 -3.898 -4.682 1.00 32.11 N ATOM 1864 CZ ARG A 124 9.547 -4.652 -5.695 1.00 11.42 C ATOM 1865 NH1 ARG A 124 8.523 -5.480 -5.493 1.00 3.42 N ATOM 1866 NH2 ARG A 124 10.079 -4.551 -6.905 1.00 74.40 N ATOM 0 H ARG A 124 13.310 -4.336 -2.038 1.00 65.14 H new ATOM 0 HA ARG A 124 13.077 -1.477 -1.374 1.00 32.35 H new ATOM 0 HB2 ARG A 124 10.779 -1.725 -2.068 1.00 61.32 H new ATOM 0 HB3 ARG A 124 11.827 -2.380 -3.310 1.00 61.32 H new ATOM 0 HG2 ARG A 124 11.370 -4.680 -2.436 1.00 63.44 H new ATOM 0 HG3 ARG A 124 10.261 -3.990 -1.267 1.00 63.44 H new ATOM 0 HD2 ARG A 124 8.974 -4.821 -3.129 1.00 4.54 H new ATOM 0 HD3 ARG A 124 8.885 -3.071 -3.139 1.00 4.54 H new ATOM 0 HE ARG A 124 10.818 -3.270 -4.900 1.00 32.11 H new ATOM 0 HH11 ARG A 124 8.102 -5.554 -4.567 1.00 3.42 H new ATOM 0 HH12 ARG A 124 8.160 -6.040 -6.264 1.00 3.42 H new ATOM 0 HH21 ARG A 124 10.856 -3.911 -7.069 1.00 74.40 H new ATOM 0 HH22 ARG A 124 9.711 -5.114 -7.672 1.00 74.40 H new ATOM 1880 N PRO A 125 11.816 -1.704 0.894 1.00 3.43 N ATOM 1881 CA PRO A 125 11.324 -1.855 2.284 1.00 62.33 C ATOM 1882 C PRO A 125 10.223 -2.932 2.430 1.00 32.45 C ATOM 1883 O PRO A 125 10.076 -3.546 3.490 1.00 41.42 O ATOM 1884 CB PRO A 125 10.771 -0.470 2.604 1.00 23.11 C ATOM 1885 CG PRO A 125 11.613 0.447 1.797 1.00 53.51 C ATOM 1886 CD PRO A 125 11.871 -0.275 0.500 1.00 12.22 C ATOM 0 HA PRO A 125 12.113 -2.189 2.958 1.00 62.33 H new ATOM 0 HB2 PRO A 125 9.718 -0.388 2.333 1.00 23.11 H new ATOM 0 HB3 PRO A 125 10.844 -0.247 3.668 1.00 23.11 H new ATOM 0 HG2 PRO A 125 11.104 1.395 1.623 1.00 53.51 H new ATOM 0 HG3 PRO A 125 12.547 0.676 2.311 1.00 53.51 H new ATOM 0 HD2 PRO A 125 11.119 -0.035 -0.252 1.00 12.22 H new ATOM 0 HD3 PRO A 125 12.840 -0.010 0.077 1.00 12.22 H new ATOM 1894 N VAL A 126 9.467 -3.169 1.356 1.00 74.35 N ATOM 1895 CA VAL A 126 8.445 -4.229 1.349 1.00 34.44 C ATOM 1896 C VAL A 126 9.098 -5.606 1.585 1.00 62.44 C ATOM 1897 O VAL A 126 8.553 -6.462 2.294 1.00 62.44 O ATOM 1898 CB VAL A 126 7.631 -4.267 0.020 1.00 11.23 C ATOM 1899 CG1 VAL A 126 6.545 -5.326 0.078 1.00 44.24 C ATOM 1900 CG2 VAL A 126 7.011 -2.921 -0.275 1.00 3.21 C ATOM 0 H VAL A 126 9.539 -2.647 0.483 1.00 74.35 H new ATOM 0 HA VAL A 126 7.752 -3.999 2.158 1.00 34.44 H new ATOM 0 HB VAL A 126 8.326 -4.518 -0.781 1.00 11.23 H new ATOM 0 HG11 VAL A 126 5.992 -5.332 -0.861 1.00 44.24 H new ATOM 0 HG12 VAL A 126 6.999 -6.304 0.238 1.00 44.24 H new ATOM 0 HG13 VAL A 126 5.863 -5.104 0.899 1.00 44.24 H new ATOM 0 HG21 VAL A 126 6.449 -2.976 -1.207 1.00 3.21 H new ATOM 0 HG22 VAL A 126 6.340 -2.644 0.538 1.00 3.21 H new ATOM 0 HG23 VAL A 126 7.797 -2.171 -0.368 1.00 3.21 H new ATOM 1910 N ASP A 127 10.288 -5.794 1.032 1.00 62.43 N ATOM 1911 CA ASP A 127 11.017 -7.055 1.195 1.00 30.54 C ATOM 1912 C ASP A 127 11.464 -7.182 2.626 1.00 4.54 C ATOM 1913 O ASP A 127 11.428 -8.263 3.210 1.00 53.45 O ATOM 1914 CB ASP A 127 12.251 -7.153 0.269 1.00 41.34 C ATOM 1915 CG ASP A 127 11.925 -7.088 -1.207 1.00 44.45 C ATOM 1916 OD1 ASP A 127 11.077 -7.885 -1.680 1.00 12.35 O ATOM 1917 OD2 ASP A 127 12.489 -6.222 -1.907 1.00 41.21 O ATOM 0 H ASP A 127 10.772 -5.096 0.468 1.00 62.43 H new ATOM 0 HA ASP A 127 10.339 -7.863 0.922 1.00 30.54 H new ATOM 0 HB2 ASP A 127 12.940 -6.344 0.513 1.00 41.34 H new ATOM 0 HB3 ASP A 127 12.772 -8.088 0.474 1.00 41.34 H new ATOM 1922 N ALA A 128 11.839 -6.057 3.200 1.00 75.23 N ATOM 1923 CA ALA A 128 12.308 -5.996 4.563 1.00 73.13 C ATOM 1924 C ALA A 128 11.182 -6.280 5.559 1.00 75.11 C ATOM 1925 O ALA A 128 11.388 -6.987 6.540 1.00 55.32 O ATOM 1926 CB ALA A 128 12.962 -4.647 4.846 1.00 22.12 C ATOM 0 H ALA A 128 11.825 -5.154 2.727 1.00 75.23 H new ATOM 0 HA ALA A 128 13.059 -6.775 4.692 1.00 73.13 H new ATOM 0 HB1 ALA A 128 13.309 -4.621 5.879 1.00 22.12 H new ATOM 0 HB2 ALA A 128 13.809 -4.505 4.175 1.00 22.12 H new ATOM 0 HB3 ALA A 128 12.236 -3.850 4.687 1.00 22.12 H new ATOM 1932 N LEU A 129 9.987 -5.760 5.300 1.00 15.53 N ATOM 1933 CA LEU A 129 8.866 -5.966 6.218 1.00 24.33 C ATOM 1934 C LEU A 129 8.430 -7.427 6.266 1.00 31.13 C ATOM 1935 O LEU A 129 8.165 -7.956 7.345 1.00 74.11 O ATOM 1936 CB LEU A 129 7.691 -4.987 5.947 1.00 23.01 C ATOM 1937 CG LEU A 129 6.955 -5.100 4.609 1.00 73.51 C ATOM 1938 CD1 LEU A 129 5.889 -6.184 4.649 1.00 44.15 C ATOM 1939 CD2 LEU A 129 6.363 -3.764 4.199 1.00 51.01 C ATOM 0 H LEU A 129 9.768 -5.201 4.476 1.00 15.53 H new ATOM 0 HA LEU A 129 9.225 -5.724 7.218 1.00 24.33 H new ATOM 0 HB2 LEU A 129 6.958 -5.117 6.743 1.00 23.01 H new ATOM 0 HB3 LEU A 129 8.077 -3.971 6.031 1.00 23.01 H new ATOM 0 HG LEU A 129 7.686 -5.389 3.854 1.00 73.51 H new ATOM 0 HD11 LEU A 129 5.387 -6.236 3.683 1.00 44.15 H new ATOM 0 HD12 LEU A 129 6.355 -7.145 4.868 1.00 44.15 H new ATOM 0 HD13 LEU A 129 5.160 -5.949 5.425 1.00 44.15 H new ATOM 0 HD21 LEU A 129 5.846 -3.872 3.246 1.00 51.01 H new ATOM 0 HD22 LEU A 129 5.656 -3.430 4.959 1.00 51.01 H new ATOM 0 HD23 LEU A 129 7.161 -3.028 4.098 1.00 51.01 H new ATOM 1951 N HIS A 130 8.434 -8.104 5.113 1.00 43.10 N ATOM 1952 CA HIS A 130 8.037 -9.515 5.076 1.00 51.14 C ATOM 1953 C HIS A 130 9.170 -10.371 5.635 1.00 5.13 C ATOM 1954 O HIS A 130 8.979 -11.515 6.046 1.00 72.45 O ATOM 1955 CB HIS A 130 7.660 -9.956 3.649 1.00 64.33 C ATOM 1956 CG HIS A 130 7.048 -11.337 3.580 1.00 3.14 C ATOM 1957 ND1 HIS A 130 7.710 -12.450 3.136 1.00 71.23 N ATOM 1958 CD2 HIS A 130 5.805 -11.757 3.921 1.00 34.14 C ATOM 1959 CE1 HIS A 130 6.881 -13.494 3.210 1.00 61.24 C ATOM 1960 NE2 HIS A 130 5.698 -13.131 3.685 1.00 75.23 N ATOM 0 H HIS A 130 8.701 -7.709 4.212 1.00 43.10 H new ATOM 0 HA HIS A 130 7.149 -9.648 5.694 1.00 51.14 H new ATOM 0 HB2 HIS A 130 6.957 -9.236 3.230 1.00 64.33 H new ATOM 0 HB3 HIS A 130 8.552 -9.932 3.023 1.00 64.33 H new ATOM 0 HD1 HIS A 130 8.674 -12.477 2.804 1.00 71.23 H new ATOM 0 HD2 HIS A 130 5.020 -11.128 4.314 1.00 34.14 H new ATOM 0 HE1 HIS A 130 7.140 -14.502 2.921 1.00 61.24 H new ATOM 1968 N ALA A 131 10.343 -9.777 5.693 1.00 2.31 N ATOM 1969 CA ALA A 131 11.510 -10.433 6.265 1.00 51.32 C ATOM 1970 C ALA A 131 11.539 -10.225 7.775 1.00 72.11 C ATOM 1971 O ALA A 131 12.487 -10.628 8.452 1.00 55.35 O ATOM 1972 CB ALA A 131 12.790 -9.909 5.631 1.00 43.15 C ATOM 0 H ALA A 131 10.519 -8.833 5.349 1.00 2.31 H new ATOM 0 HA ALA A 131 11.443 -11.501 6.058 1.00 51.32 H new ATOM 0 HB1 ALA A 131 13.649 -10.414 6.074 1.00 43.15 H new ATOM 0 HB2 ALA A 131 12.770 -10.101 4.558 1.00 43.15 H new ATOM 0 HB3 ALA A 131 12.870 -8.836 5.806 1.00 43.15 H new ATOM 1978 N HIS A 132 10.476 -9.586 8.288 1.00 31.41 N ATOM 1979 CA HIS A 132 10.288 -9.295 9.714 1.00 61.33 C ATOM 1980 C HIS A 132 11.296 -8.272 10.219 1.00 12.30 C ATOM 1981 O HIS A 132 11.600 -8.199 11.404 1.00 32.43 O ATOM 1982 CB HIS A 132 10.265 -10.585 10.567 1.00 62.23 C ATOM 1983 CG HIS A 132 9.058 -11.444 10.297 1.00 75.03 C ATOM 1984 ND1 HIS A 132 9.013 -12.446 9.349 1.00 75.24 N ATOM 1985 CD2 HIS A 132 7.822 -11.407 10.855 1.00 52.34 C ATOM 1986 CE1 HIS A 132 7.790 -12.967 9.351 1.00 45.31 C ATOM 1987 NE2 HIS A 132 7.016 -12.374 10.254 1.00 11.41 N ATOM 0 H HIS A 132 9.707 -9.251 7.708 1.00 31.41 H new ATOM 0 HA HIS A 132 9.305 -8.838 9.826 1.00 61.33 H new ATOM 0 HB2 HIS A 132 11.168 -11.163 10.368 1.00 62.23 H new ATOM 0 HB3 HIS A 132 10.285 -10.317 11.623 1.00 62.23 H new ATOM 0 HD2 HIS A 132 7.511 -10.735 11.641 1.00 52.34 H new ATOM 0 HE1 HIS A 132 7.467 -13.768 8.703 1.00 45.31 H new ATOM 0 HE2 HIS A 132 6.040 -12.582 10.463 1.00 11.41 H new ATOM 1995 N GLN A 133 11.728 -7.423 9.307 1.00 12.31 N ATOM 1996 CA GLN A 133 12.628 -6.300 9.577 1.00 51.15 C ATOM 1997 C GLN A 133 11.818 -5.014 9.577 1.00 34.12 C ATOM 1998 O GLN A 133 12.346 -3.921 9.375 1.00 1.13 O ATOM 1999 CB GLN A 133 13.741 -6.226 8.538 1.00 45.22 C ATOM 2000 CG GLN A 133 14.725 -7.374 8.600 1.00 64.42 C ATOM 2001 CD GLN A 133 15.787 -7.267 7.540 1.00 43.02 C ATOM 2002 OE1 GLN A 133 15.558 -7.888 6.417 1.00 12.20 O flip ATOM 2003 NE2 GLN A 133 16.834 -6.646 7.740 1.00 32.04 N flip ATOM 0 H GLN A 133 11.459 -7.491 8.326 1.00 12.31 H new ATOM 0 HA GLN A 133 13.097 -6.444 10.550 1.00 51.15 H new ATOM 0 HB2 GLN A 133 13.294 -6.199 7.544 1.00 45.22 H new ATOM 0 HB3 GLN A 133 14.283 -5.290 8.669 1.00 45.22 H new ATOM 0 HG2 GLN A 133 15.195 -7.395 9.583 1.00 64.42 H new ATOM 0 HG3 GLN A 133 14.190 -8.316 8.483 1.00 64.42 H new ATOM 0 HE21 GLN A 133 16.983 -6.170 8.630 1.00 32.04 H new ATOM 0 HE22 GLN A 133 17.551 -6.608 7.015 1.00 32.04 H new ATOM 2012 N ALA A 134 10.527 -5.179 9.847 1.00 52.42 N ATOM 2013 CA ALA A 134 9.522 -4.113 9.843 1.00 42.34 C ATOM 2014 C ALA A 134 9.925 -2.916 10.712 1.00 73.42 C ATOM 2015 O ALA A 134 9.523 -1.800 10.438 1.00 54.21 O ATOM 2016 CB ALA A 134 8.176 -4.666 10.289 1.00 0.13 C ATOM 0 H ALA A 134 10.134 -6.090 10.084 1.00 52.42 H new ATOM 0 HA ALA A 134 9.446 -3.745 8.820 1.00 42.34 H new ATOM 0 HB1 ALA A 134 7.434 -3.867 10.283 1.00 0.13 H new ATOM 0 HB2 ALA A 134 7.863 -5.456 9.607 1.00 0.13 H new ATOM 0 HB3 ALA A 134 8.265 -5.071 11.297 1.00 0.13 H new ATOM 2022 N ARG A 135 10.733 -3.165 11.734 1.00 35.10 N ATOM 2023 CA ARG A 135 11.218 -2.146 12.648 1.00 30.45 C ATOM 2024 C ARG A 135 11.933 -1.004 11.878 1.00 43.32 C ATOM 2025 O ARG A 135 11.682 0.184 12.138 1.00 13.24 O ATOM 2026 CB ARG A 135 12.194 -2.835 13.609 1.00 73.05 C ATOM 2027 CG ARG A 135 12.854 -1.957 14.644 1.00 53.00 C ATOM 2028 CD ARG A 135 11.850 -1.350 15.605 1.00 43.25 C ATOM 2029 NE ARG A 135 12.510 -0.561 16.647 1.00 53.12 N ATOM 2030 CZ ARG A 135 11.915 0.344 17.433 1.00 32.13 C ATOM 2031 NH1 ARG A 135 10.612 0.606 17.302 1.00 60.51 N ATOM 2032 NH2 ARG A 135 12.632 0.981 18.354 1.00 72.22 N ATOM 0 H ARG A 135 11.075 -4.101 11.953 1.00 35.10 H new ATOM 0 HA ARG A 135 10.388 -1.694 13.191 1.00 30.45 H new ATOM 0 HB2 ARG A 135 11.658 -3.630 14.128 1.00 73.05 H new ATOM 0 HB3 ARG A 135 12.976 -3.311 13.017 1.00 73.05 H new ATOM 0 HG2 ARG A 135 13.582 -2.543 15.204 1.00 53.00 H new ATOM 0 HG3 ARG A 135 13.404 -1.160 14.144 1.00 53.00 H new ATOM 0 HD2 ARG A 135 11.155 -0.717 15.054 1.00 43.25 H new ATOM 0 HD3 ARG A 135 11.262 -2.143 16.066 1.00 43.25 H new ATOM 0 HE ARG A 135 13.509 -0.714 16.786 1.00 53.12 H new ATOM 0 HH11 ARG A 135 10.061 0.115 16.598 1.00 60.51 H new ATOM 0 HH12 ARG A 135 10.168 1.298 17.906 1.00 60.51 H new ATOM 0 HH21 ARG A 135 13.626 0.778 18.457 1.00 72.22 H new ATOM 0 HH22 ARG A 135 12.188 1.673 18.958 1.00 72.22 H new ATOM 2046 N GLU A 136 12.767 -1.372 10.911 1.00 14.20 N ATOM 2047 CA GLU A 136 13.513 -0.413 10.117 1.00 33.04 C ATOM 2048 C GLU A 136 12.544 0.288 9.133 1.00 21.11 C ATOM 2049 O GLU A 136 12.680 1.472 8.833 1.00 12.52 O ATOM 2050 CB GLU A 136 14.622 -1.178 9.376 1.00 45.33 C ATOM 2051 CG GLU A 136 15.893 -0.393 9.044 1.00 72.30 C ATOM 2052 CD GLU A 136 15.702 0.754 8.080 1.00 63.41 C ATOM 2053 OE1 GLU A 136 15.318 0.503 6.923 1.00 22.52 O ATOM 2054 OE2 GLU A 136 15.979 1.923 8.455 1.00 51.21 O ATOM 0 H GLU A 136 12.942 -2.345 10.659 1.00 14.20 H new ATOM 0 HA GLU A 136 13.969 0.357 10.739 1.00 33.04 H new ATOM 0 HB2 GLU A 136 14.903 -2.041 9.980 1.00 45.33 H new ATOM 0 HB3 GLU A 136 14.206 -1.563 8.445 1.00 45.33 H new ATOM 0 HG2 GLU A 136 16.313 -0.003 9.971 1.00 72.30 H new ATOM 0 HG3 GLU A 136 16.628 -1.081 8.626 1.00 72.30 H new ATOM 2061 N VAL A 137 11.530 -0.445 8.694 1.00 33.23 N ATOM 2062 CA VAL A 137 10.519 0.096 7.779 1.00 1.42 C ATOM 2063 C VAL A 137 9.695 1.186 8.489 1.00 42.21 C ATOM 2064 O VAL A 137 9.428 2.253 7.922 1.00 1.42 O ATOM 2065 CB VAL A 137 9.579 -1.025 7.229 1.00 5.23 C ATOM 2066 CG1 VAL A 137 8.535 -0.458 6.271 1.00 62.34 C ATOM 2067 CG2 VAL A 137 10.395 -2.107 6.534 1.00 4.21 C ATOM 0 H VAL A 137 11.380 -1.420 8.954 1.00 33.23 H new ATOM 0 HA VAL A 137 11.039 0.535 6.928 1.00 1.42 H new ATOM 0 HB VAL A 137 9.054 -1.463 8.078 1.00 5.23 H new ATOM 0 HG11 VAL A 137 7.898 -1.265 5.908 1.00 62.34 H new ATOM 0 HG12 VAL A 137 7.925 0.279 6.793 1.00 62.34 H new ATOM 0 HG13 VAL A 137 9.035 0.017 5.427 1.00 62.34 H new ATOM 0 HG21 VAL A 137 9.727 -2.881 6.156 1.00 4.21 H new ATOM 0 HG22 VAL A 137 10.948 -1.668 5.704 1.00 4.21 H new ATOM 0 HG23 VAL A 137 11.095 -2.547 7.244 1.00 4.21 H new ATOM 2077 N VAL A 138 9.331 0.918 9.746 1.00 71.21 N ATOM 2078 CA VAL A 138 8.617 1.885 10.592 1.00 20.11 C ATOM 2079 C VAL A 138 9.459 3.152 10.742 1.00 70.01 C ATOM 2080 O VAL A 138 8.950 4.273 10.641 1.00 65.34 O ATOM 2081 CB VAL A 138 8.278 1.296 12.002 1.00 53.34 C ATOM 2082 CG1 VAL A 138 7.580 2.328 12.884 1.00 30.05 C ATOM 2083 CG2 VAL A 138 7.403 0.058 11.871 1.00 63.31 C ATOM 0 H VAL A 138 9.521 0.028 10.207 1.00 71.21 H new ATOM 0 HA VAL A 138 7.672 2.122 10.104 1.00 20.11 H new ATOM 0 HB VAL A 138 9.221 1.020 12.475 1.00 53.34 H new ATOM 0 HG11 VAL A 138 7.359 1.886 13.856 1.00 30.05 H new ATOM 0 HG12 VAL A 138 8.231 3.192 13.018 1.00 30.05 H new ATOM 0 HG13 VAL A 138 6.651 2.644 12.409 1.00 30.05 H new ATOM 0 HG21 VAL A 138 7.179 -0.336 12.862 1.00 63.31 H new ATOM 0 HG22 VAL A 138 6.473 0.321 11.366 1.00 63.31 H new ATOM 0 HG23 VAL A 138 7.929 -0.700 11.290 1.00 63.31 H new ATOM 2093 N ARG A 139 10.754 2.945 10.928 1.00 52.44 N ATOM 2094 CA ARG A 139 11.730 4.021 11.070 1.00 24.13 C ATOM 2095 C ARG A 139 11.678 4.946 9.839 1.00 41.32 C ATOM 2096 O ARG A 139 11.596 6.182 9.974 1.00 14.53 O ATOM 2097 CB ARG A 139 13.121 3.391 11.191 1.00 33.11 C ATOM 2098 CG ARG A 139 14.284 4.354 11.290 1.00 51.13 C ATOM 2099 CD ARG A 139 15.591 3.586 11.226 1.00 73.03 C ATOM 2100 NE ARG A 139 16.760 4.461 11.282 1.00 1.21 N ATOM 2101 CZ ARG A 139 17.881 4.291 10.563 1.00 10.20 C ATOM 2102 NH1 ARG A 139 17.956 3.336 9.633 1.00 43.20 N ATOM 2103 NH2 ARG A 139 18.905 5.107 10.744 1.00 33.21 N ATOM 0 H ARG A 139 11.165 2.013 10.986 1.00 52.44 H new ATOM 0 HA ARG A 139 11.507 4.615 11.956 1.00 24.13 H new ATOM 0 HB2 ARG A 139 13.131 2.750 12.072 1.00 33.11 H new ATOM 0 HB3 ARG A 139 13.282 2.747 10.326 1.00 33.11 H new ATOM 0 HG2 ARG A 139 14.238 5.080 10.478 1.00 51.13 H new ATOM 0 HG3 ARG A 139 14.226 4.915 12.223 1.00 51.13 H new ATOM 0 HD2 ARG A 139 15.632 2.877 12.053 1.00 73.03 H new ATOM 0 HD3 ARG A 139 15.621 3.004 10.305 1.00 73.03 H new ATOM 0 HE ARG A 139 16.721 5.260 11.914 1.00 1.21 H new ATOM 0 HH11 ARG A 139 17.156 2.726 9.463 1.00 43.20 H new ATOM 0 HH12 ARG A 139 18.813 3.216 9.093 1.00 43.20 H new ATOM 0 HH21 ARG A 139 18.841 5.862 11.427 1.00 33.21 H new ATOM 0 HH22 ARG A 139 19.759 4.982 10.200 1.00 33.21 H new ATOM 2117 N ARG A 140 11.673 4.340 8.651 1.00 71.31 N ATOM 2118 CA ARG A 140 11.611 5.097 7.407 1.00 71.25 C ATOM 2119 C ARG A 140 10.264 5.768 7.221 1.00 61.30 C ATOM 2120 O ARG A 140 10.193 6.880 6.719 1.00 62.34 O ATOM 2121 CB ARG A 140 11.943 4.237 6.196 1.00 43.33 C ATOM 2122 CG ARG A 140 13.329 3.653 6.250 1.00 45.25 C ATOM 2123 CD ARG A 140 13.704 2.992 4.955 1.00 31.42 C ATOM 2124 NE ARG A 140 14.986 2.308 5.074 1.00 4.34 N ATOM 2125 CZ ARG A 140 16.029 2.422 4.262 1.00 71.02 C ATOM 2126 NH1 ARG A 140 15.979 3.209 3.193 1.00 31.12 N ATOM 2127 NH2 ARG A 140 17.137 1.737 4.538 1.00 40.22 N ATOM 0 H ARG A 140 11.711 3.328 8.527 1.00 71.31 H new ATOM 0 HA ARG A 140 12.371 5.874 7.486 1.00 71.25 H new ATOM 0 HB2 ARG A 140 11.217 3.428 6.122 1.00 43.33 H new ATOM 0 HB3 ARG A 140 11.843 4.838 5.292 1.00 43.33 H new ATOM 0 HG2 ARG A 140 14.047 4.441 6.478 1.00 45.25 H new ATOM 0 HG3 ARG A 140 13.386 2.926 7.060 1.00 45.25 H new ATOM 0 HD2 ARG A 140 12.931 2.278 4.669 1.00 31.42 H new ATOM 0 HD3 ARG A 140 13.757 3.739 4.163 1.00 31.42 H new ATOM 0 HE ARG A 140 15.092 1.674 5.866 1.00 4.34 H new ATOM 0 HH11 ARG A 140 15.130 3.736 2.987 1.00 31.12 H new ATOM 0 HH12 ARG A 140 16.789 3.286 2.578 1.00 31.12 H new ATOM 0 HH21 ARG A 140 17.174 1.137 5.362 1.00 40.22 H new ATOM 0 HH22 ARG A 140 17.949 1.812 3.925 1.00 40.22 H new ATOM 2141 N ALA A 141 9.202 5.106 7.657 1.00 71.44 N ATOM 2142 CA ALA A 141 7.858 5.640 7.552 1.00 42.11 C ATOM 2143 C ALA A 141 7.738 6.928 8.359 1.00 2.23 C ATOM 2144 O ALA A 141 7.183 7.923 7.884 1.00 52.33 O ATOM 2145 CB ALA A 141 6.845 4.605 8.012 1.00 51.34 C ATOM 0 H ALA A 141 9.251 4.185 8.092 1.00 71.44 H new ATOM 0 HA ALA A 141 7.649 5.876 6.509 1.00 42.11 H new ATOM 0 HB1 ALA A 141 5.840 5.018 7.929 1.00 51.34 H new ATOM 0 HB2 ALA A 141 6.925 3.715 7.388 1.00 51.34 H new ATOM 0 HB3 ALA A 141 7.043 4.339 9.050 1.00 51.34 H new ATOM 2151 N GLN A 142 8.300 6.911 9.561 1.00 14.12 N ATOM 2152 CA GLN A 142 8.338 8.089 10.426 1.00 20.20 C ATOM 2153 C GLN A 142 9.092 9.223 9.738 1.00 32.13 C ATOM 2154 O GLN A 142 8.628 10.375 9.707 1.00 21.02 O ATOM 2155 CB GLN A 142 9.043 7.766 11.741 1.00 23.21 C ATOM 2156 CG GLN A 142 8.355 6.736 12.618 1.00 71.42 C ATOM 2157 CD GLN A 142 6.984 7.175 13.084 1.00 2.54 C ATOM 2158 OE1 GLN A 142 6.710 8.366 13.215 1.00 3.22 O ATOM 2159 NE2 GLN A 142 6.138 6.229 13.390 1.00 11.32 N ATOM 0 H GLN A 142 8.741 6.085 9.965 1.00 14.12 H new ATOM 0 HA GLN A 142 7.310 8.392 10.626 1.00 20.20 H new ATOM 0 HB2 GLN A 142 10.049 7.411 11.516 1.00 23.21 H new ATOM 0 HB3 GLN A 142 9.151 8.689 12.311 1.00 23.21 H new ATOM 0 HG2 GLN A 142 8.262 5.801 12.066 1.00 71.42 H new ATOM 0 HG3 GLN A 142 8.980 6.532 13.488 1.00 71.42 H new ATOM 0 HE21 GLN A 142 6.401 5.251 13.268 1.00 11.32 H new ATOM 0 HE22 GLN A 142 5.214 6.468 13.751 1.00 11.32 H new ATOM 2168 N ALA A 143 10.238 8.874 9.165 1.00 15.01 N ATOM 2169 CA ALA A 143 11.118 9.824 8.498 1.00 3.11 C ATOM 2170 C ALA A 143 10.463 10.447 7.269 1.00 31.52 C ATOM 2171 O ALA A 143 10.661 11.635 6.978 1.00 0.14 O ATOM 2172 CB ALA A 143 12.422 9.146 8.112 1.00 2.44 C ATOM 0 H ALA A 143 10.585 7.915 9.151 1.00 15.01 H new ATOM 0 HA ALA A 143 11.323 10.631 9.202 1.00 3.11 H new ATOM 0 HB1 ALA A 143 13.072 9.865 7.614 1.00 2.44 H new ATOM 0 HB2 ALA A 143 12.916 8.770 9.008 1.00 2.44 H new ATOM 0 HB3 ALA A 143 12.215 8.316 7.437 1.00 2.44 H new ATOM 2178 N MET A 144 9.687 9.657 6.565 1.00 12.51 N ATOM 2179 CA MET A 144 9.017 10.110 5.353 1.00 32.25 C ATOM 2180 C MET A 144 7.801 10.956 5.664 1.00 43.21 C ATOM 2181 O MET A 144 7.423 11.815 4.873 1.00 14.52 O ATOM 2182 CB MET A 144 8.599 8.930 4.470 1.00 53.23 C ATOM 2183 CG MET A 144 9.754 8.130 3.898 1.00 21.55 C ATOM 2184 SD MET A 144 10.841 9.125 2.856 1.00 3.40 S ATOM 2185 CE MET A 144 12.057 7.895 2.395 1.00 23.31 C ATOM 0 H MET A 144 9.498 8.685 6.809 1.00 12.51 H new ATOM 0 HA MET A 144 9.739 10.722 4.813 1.00 32.25 H new ATOM 0 HB2 MET A 144 7.966 8.262 5.054 1.00 53.23 H new ATOM 0 HB3 MET A 144 7.992 9.306 3.647 1.00 53.23 H new ATOM 0 HG2 MET A 144 10.334 7.701 4.715 1.00 21.55 H new ATOM 0 HG3 MET A 144 9.361 7.297 3.315 1.00 21.55 H new ATOM 0 HE1 MET A 144 12.806 8.349 1.746 1.00 23.31 H new ATOM 0 HE2 MET A 144 12.540 7.507 3.292 1.00 23.31 H new ATOM 0 HE3 MET A 144 11.566 7.078 1.866 1.00 23.31 H new ATOM 2195 N ALA A 145 7.193 10.725 6.800 1.00 22.05 N ATOM 2196 CA ALA A 145 5.981 11.425 7.136 1.00 41.14 C ATOM 2197 C ALA A 145 6.229 12.797 7.724 1.00 42.32 C ATOM 2198 O ALA A 145 5.868 13.812 7.126 1.00 53.03 O ATOM 2199 CB ALA A 145 5.119 10.610 8.075 1.00 1.25 C ATOM 0 H ALA A 145 7.516 10.061 7.504 1.00 22.05 H new ATOM 0 HA ALA A 145 5.451 11.569 6.194 1.00 41.14 H new ATOM 0 HB1 ALA A 145 4.211 11.166 8.310 1.00 1.25 H new ATOM 0 HB2 ALA A 145 4.854 9.666 7.599 1.00 1.25 H new ATOM 0 HB3 ALA A 145 5.670 10.410 8.994 1.00 1.25 H new ATOM 2205 N TYR A 146 6.859 12.831 8.858 1.00 54.14 N ATOM 2206 CA TYR A 146 6.979 14.052 9.602 1.00 22.32 C ATOM 2207 C TYR A 146 8.209 14.825 9.210 1.00 3.13 C ATOM 2208 O TYR A 146 8.062 15.863 8.544 1.00 37.63 O ATOM 2209 CB TYR A 146 6.903 13.782 11.108 1.00 54.43 C ATOM 2210 CG TYR A 146 5.634 13.040 11.491 1.00 12.33 C ATOM 2211 CD1 TYR A 146 4.382 13.575 11.205 1.00 54.12 C ATOM 2212 CD2 TYR A 146 5.687 11.802 12.115 1.00 12.51 C ATOM 2213 CE1 TYR A 146 3.225 12.899 11.525 1.00 71.33 C ATOM 2214 CE2 TYR A 146 4.530 11.120 12.445 1.00 53.40 C ATOM 2215 CZ TYR A 146 3.302 11.673 12.142 1.00 20.45 C ATOM 2216 OH TYR A 146 2.139 10.990 12.457 1.00 61.35 O ATOM 2217 OXT TYR A 146 9.332 14.385 9.508 1.00 37.63 O ATOM 0 H TYR A 146 7.302 12.022 9.293 1.00 54.14 H new ATOM 0 HA TYR A 146 6.131 14.688 9.349 1.00 22.32 H new ATOM 0 HB2 TYR A 146 7.771 13.199 11.416 1.00 54.43 H new ATOM 0 HB3 TYR A 146 6.947 14.728 11.648 1.00 54.43 H new ATOM 0 HD1 TYR A 146 4.316 14.539 10.723 1.00 54.12 H new ATOM 0 HD2 TYR A 146 6.647 11.364 12.347 1.00 12.51 H new ATOM 0 HE1 TYR A 146 2.262 13.330 11.292 1.00 71.33 H new ATOM 0 HE2 TYR A 146 4.587 10.160 12.937 1.00 53.40 H new ATOM 0 HH TYR A 146 1.440 11.219 11.810 1.00 61.35 H new