USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 576 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 Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -144:sc= 0.191 (180deg=-0.0111) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -70:sc= 0.442 USER MOD Single : A 29 ASN : amide:sc= 0.545 K(o=0.55,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.627 K(o=-0.63,f=-1.8) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= 0.426 (180deg=0.342) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 21:sc= 0.537 USER MOD Single : A 68 THR OG1 : rot 75:sc= 0.0265 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.043) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 92 THR OG1 : rot -100:sc= -0.566 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.387 3.540 -3.726 1.00 54.22 N ATOM 178 CA LYS A 13 -0.787 4.051 -5.032 1.00 13.41 C ATOM 179 C LYS A 13 -1.103 2.908 -5.991 1.00 24.33 C ATOM 180 O LYS A 13 -1.946 3.043 -6.879 1.00 25.13 O ATOM 181 CB LYS A 13 0.318 4.932 -5.618 1.00 44.21 C ATOM 182 CG LYS A 13 -0.169 6.297 -6.074 1.00 64.31 C ATOM 183 CD LYS A 13 0.734 7.409 -5.568 1.00 24.03 C ATOM 184 CE LYS A 13 0.392 8.743 -6.214 1.00 30.42 C ATOM 185 NZ LYS A 13 1.369 9.112 -7.275 1.00 4.01 N ATOM 0 HA LYS A 13 -1.688 4.649 -4.899 1.00 13.41 H new ATOM 0 HB2 LYS A 13 1.099 5.066 -4.870 1.00 44.21 H new ATOM 0 HB3 LYS A 13 0.772 4.416 -6.464 1.00 44.21 H new ATOM 0 HG2 LYS A 13 -0.207 6.325 -7.163 1.00 64.31 H new ATOM 0 HG3 LYS A 13 -1.185 6.460 -5.715 1.00 64.31 H new ATOM 0 HD2 LYS A 13 0.638 7.493 -4.485 1.00 24.03 H new ATOM 0 HD3 LYS A 13 1.774 7.158 -5.777 1.00 24.03 H new ATOM 0 HE2 LYS A 13 -0.609 8.693 -6.643 1.00 30.42 H new ATOM 0 HE3 LYS A 13 0.373 9.522 -5.451 1.00 30.42 H new ATOM 0 HZ1 LYS A 13 1.101 10.027 -7.691 1.00 4.01 H new ATOM 0 HZ2 LYS A 13 2.320 9.185 -6.861 1.00 4.01 H new ATOM 0 HZ3 LYS A 13 1.369 8.382 -8.016 1.00 4.01 H new ATOM 199 N LEU A 14 -0.422 1.782 -5.805 1.00 74.22 N ATOM 200 CA LEU A 14 -0.631 0.613 -6.653 1.00 53.21 C ATOM 201 C LEU A 14 -1.998 -0.011 -6.392 1.00 71.52 C ATOM 202 O LEU A 14 -2.738 -0.324 -7.326 1.00 3.42 O ATOM 203 CB LEU A 14 0.469 -0.421 -6.410 1.00 45.12 C ATOM 204 CG LEU A 14 1.799 -0.166 -7.122 1.00 74.12 C ATOM 205 CD1 LEU A 14 1.594 -0.101 -8.628 1.00 13.33 C ATOM 206 CD2 LEU A 14 2.439 1.117 -6.613 1.00 20.11 C ATOM 0 H LEU A 14 0.279 1.654 -5.075 1.00 74.22 H new ATOM 0 HA LEU A 14 -0.593 0.937 -7.693 1.00 53.21 H new ATOM 0 HB2 LEU A 14 0.658 -0.476 -5.338 1.00 45.12 H new ATOM 0 HB3 LEU A 14 0.096 -1.398 -6.718 1.00 45.12 H new ATOM 0 HG LEU A 14 2.472 -0.995 -6.903 1.00 74.12 H new ATOM 0 HD11 LEU A 14 2.551 0.081 -9.118 1.00 13.33 H new ATOM 0 HD12 LEU A 14 1.180 -1.046 -8.980 1.00 13.33 H new ATOM 0 HD13 LEU A 14 0.904 0.709 -8.867 1.00 13.33 H new ATOM 0 HD21 LEU A 14 3.384 1.282 -7.130 1.00 20.11 H new ATOM 0 HD22 LEU A 14 1.770 1.957 -6.802 1.00 20.11 H new ATOM 0 HD23 LEU A 14 2.622 1.032 -5.542 1.00 20.11 H new ATOM 218 N TYR A 15 -2.328 -0.189 -5.118 1.00 21.22 N ATOM 219 CA TYR A 15 -3.606 -0.777 -4.734 1.00 0.42 C ATOM 220 C TYR A 15 -4.768 0.096 -5.198 1.00 71.13 C ATOM 221 O TYR A 15 -5.678 -0.373 -5.882 1.00 72.20 O ATOM 222 CB TYR A 15 -3.669 -0.965 -3.217 1.00 54.12 C ATOM 223 CG TYR A 15 -5.032 -1.386 -2.716 1.00 14.32 C ATOM 224 CD1 TYR A 15 -5.984 -0.440 -2.355 1.00 31.24 C ATOM 225 CD2 TYR A 15 -5.369 -2.729 -2.604 1.00 63.32 C ATOM 226 CE1 TYR A 15 -7.230 -0.820 -1.895 1.00 72.33 C ATOM 227 CE2 TYR A 15 -6.613 -3.119 -2.147 1.00 40.32 C ATOM 228 CZ TYR A 15 -7.540 -2.161 -1.794 1.00 0.54 C ATOM 229 OH TYR A 15 -8.781 -2.543 -1.338 1.00 23.32 O ATOM 0 H TYR A 15 -1.728 0.065 -4.333 1.00 21.22 H new ATOM 0 HA TYR A 15 -3.690 -1.750 -5.218 1.00 0.42 H new ATOM 0 HB2 TYR A 15 -2.935 -1.714 -2.921 1.00 54.12 H new ATOM 0 HB3 TYR A 15 -3.385 -0.031 -2.731 1.00 54.12 H new ATOM 0 HD1 TYR A 15 -5.746 0.610 -2.435 1.00 31.24 H new ATOM 0 HD2 TYR A 15 -4.645 -3.482 -2.879 1.00 63.32 H new ATOM 0 HE1 TYR A 15 -7.957 -0.072 -1.616 1.00 72.33 H new ATOM 0 HE2 TYR A 15 -6.858 -4.168 -2.067 1.00 40.32 H new ATOM 0 HH TYR A 15 -8.839 -3.521 -1.328 1.00 23.32 H new ATOM 239 N LYS A 16 -4.730 1.370 -4.822 1.00 70.32 N ATOM 240 CA LYS A 16 -5.777 2.311 -5.200 1.00 53.21 C ATOM 241 C LYS A 16 -5.874 2.437 -6.717 1.00 73.12 C ATOM 242 O LYS A 16 -6.891 2.884 -7.249 1.00 3.13 O ATOM 243 CB LYS A 16 -5.506 3.684 -4.580 1.00 65.24 C ATOM 244 CG LYS A 16 -4.436 4.479 -5.308 1.00 64.24 C ATOM 245 CD LYS A 16 -5.035 5.637 -6.088 1.00 11.32 C ATOM 246 CE LYS A 16 -4.661 6.977 -5.471 1.00 72.43 C ATOM 247 NZ LYS A 16 -5.715 7.474 -4.544 1.00 21.32 N ATOM 0 H LYS A 16 -3.985 1.774 -4.255 1.00 70.32 H new ATOM 0 HA LYS A 16 -6.726 1.930 -4.823 1.00 53.21 H new ATOM 0 HB2 LYS A 16 -6.432 4.259 -4.572 1.00 65.24 H new ATOM 0 HB3 LYS A 16 -5.204 3.551 -3.541 1.00 65.24 H new ATOM 0 HG2 LYS A 16 -3.712 4.860 -4.588 1.00 64.24 H new ATOM 0 HG3 LYS A 16 -3.894 3.823 -5.989 1.00 64.24 H new ATOM 0 HD2 LYS A 16 -4.687 5.601 -7.120 1.00 11.32 H new ATOM 0 HD3 LYS A 16 -6.120 5.537 -6.114 1.00 11.32 H new ATOM 0 HE2 LYS A 16 -3.719 6.878 -4.931 1.00 72.43 H new ATOM 0 HE3 LYS A 16 -4.499 7.709 -6.262 1.00 72.43 H new ATOM 0 HZ1 LYS A 16 -5.782 8.509 -4.617 1.00 21.32 H new ATOM 0 HZ2 LYS A 16 -6.630 7.049 -4.798 1.00 21.32 H new ATOM 0 HZ3 LYS A 16 -5.471 7.211 -3.568 1.00 21.32 H new ATOM 261 N ASP A 17 -4.812 2.038 -7.408 1.00 51.53 N ATOM 262 CA ASP A 17 -4.779 2.104 -8.865 1.00 2.23 C ATOM 263 C ASP A 17 -5.397 0.852 -9.479 1.00 41.35 C ATOM 264 O ASP A 17 -5.932 0.891 -10.586 1.00 55.43 O ATOM 265 CB ASP A 17 -3.340 2.272 -9.356 1.00 72.13 C ATOM 266 CG ASP A 17 -2.935 3.728 -9.475 1.00 60.11 C ATOM 267 OD1 ASP A 17 -3.271 4.513 -8.564 1.00 62.01 O ATOM 268 OD2 ASP A 17 -2.283 4.083 -10.480 1.00 23.45 O ATOM 0 H ASP A 17 -3.963 1.666 -6.983 1.00 51.53 H new ATOM 0 HA ASP A 17 -5.365 2.968 -9.179 1.00 2.23 H new ATOM 0 HB2 ASP A 17 -2.663 1.765 -8.669 1.00 72.13 H new ATOM 0 HB3 ASP A 17 -3.231 1.787 -10.326 1.00 72.13 H new ATOM 273 N GLY A 18 -5.317 -0.259 -8.753 1.00 55.32 N ATOM 274 CA GLY A 18 -5.872 -1.507 -9.244 1.00 1.11 C ATOM 275 C GLY A 18 -4.848 -2.625 -9.272 1.00 53.52 C ATOM 276 O GLY A 18 -4.843 -3.449 -10.187 1.00 11.42 O ATOM 0 H GLY A 18 -4.878 -0.317 -7.834 1.00 55.32 H new ATOM 0 HA2 GLY A 18 -6.710 -1.802 -8.613 1.00 1.11 H new ATOM 0 HA3 GLY A 18 -6.267 -1.355 -10.248 1.00 1.11 H new ATOM 280 N VAL A 19 -3.977 -2.653 -8.269 1.00 12.35 N ATOM 281 CA VAL A 19 -2.943 -3.677 -8.182 1.00 73.21 C ATOM 282 C VAL A 19 -3.194 -4.613 -7.005 1.00 70.00 C ATOM 283 O VAL A 19 -3.478 -4.182 -5.887 1.00 70.51 O ATOM 284 CB VAL A 19 -1.544 -3.051 -8.037 1.00 24.11 C ATOM 285 CG1 VAL A 19 -0.474 -4.132 -8.025 1.00 65.11 C ATOM 286 CG2 VAL A 19 -1.290 -2.050 -9.154 1.00 64.30 C ATOM 0 H VAL A 19 -3.967 -1.978 -7.505 1.00 12.35 H new ATOM 0 HA VAL A 19 -2.983 -4.247 -9.110 1.00 73.21 H new ATOM 0 HB VAL A 19 -1.500 -2.519 -7.087 1.00 24.11 H new ATOM 0 HG11 VAL A 19 0.508 -3.671 -7.922 1.00 65.11 H new ATOM 0 HG12 VAL A 19 -0.648 -4.807 -7.187 1.00 65.11 H new ATOM 0 HG13 VAL A 19 -0.514 -4.694 -8.958 1.00 65.11 H new ATOM 0 HG21 VAL A 19 -0.297 -1.617 -9.036 1.00 64.30 H new ATOM 0 HG22 VAL A 19 -1.353 -2.556 -10.117 1.00 64.30 H new ATOM 0 HG23 VAL A 19 -2.038 -1.258 -9.110 1.00 64.30 H new ATOM 296 N PRO A 20 -3.087 -5.926 -7.259 1.00 43.44 N ATOM 297 CA PRO A 20 -3.297 -6.951 -6.233 1.00 1.32 C ATOM 298 C PRO A 20 -2.185 -6.962 -5.189 1.00 73.31 C ATOM 299 O PRO A 20 -1.044 -6.604 -5.479 1.00 63.12 O ATOM 300 CB PRO A 20 -3.295 -8.257 -7.030 1.00 71.15 C ATOM 301 CG PRO A 20 -2.492 -7.956 -8.249 1.00 21.25 C ATOM 302 CD PRO A 20 -2.751 -6.510 -8.569 1.00 32.03 C ATOM 0 HA PRO A 20 -4.214 -6.782 -5.669 1.00 1.32 H new ATOM 0 HB2 PRO A 20 -2.852 -9.071 -6.455 1.00 71.15 H new ATOM 0 HB3 PRO A 20 -4.308 -8.564 -7.289 1.00 71.15 H new ATOM 0 HG2 PRO A 20 -1.431 -8.132 -8.071 1.00 21.25 H new ATOM 0 HG3 PRO A 20 -2.787 -8.598 -9.079 1.00 21.25 H new ATOM 0 HD2 PRO A 20 -1.875 -6.033 -9.009 1.00 32.03 H new ATOM 0 HD3 PRO A 20 -3.568 -6.396 -9.281 1.00 32.03 H new ATOM 310 N VAL A 21 -2.526 -7.377 -3.973 1.00 0.32 N ATOM 311 CA VAL A 21 -1.556 -7.437 -2.886 1.00 10.41 C ATOM 312 C VAL A 21 -0.312 -8.214 -3.301 1.00 72.15 C ATOM 313 O VAL A 21 0.814 -7.776 -3.068 1.00 45.13 O ATOM 314 CB VAL A 21 -2.161 -8.090 -1.629 1.00 62.53 C ATOM 315 CG1 VAL A 21 -1.147 -8.108 -0.496 1.00 2.03 C ATOM 316 CG2 VAL A 21 -3.430 -7.364 -1.209 1.00 63.05 C ATOM 0 H VAL A 21 -3.467 -7.677 -3.716 1.00 0.32 H new ATOM 0 HA VAL A 21 -1.277 -6.409 -2.654 1.00 10.41 H new ATOM 0 HB VAL A 21 -2.422 -9.121 -1.867 1.00 62.53 H new ATOM 0 HG11 VAL A 21 -1.592 -8.573 0.384 1.00 2.03 H new ATOM 0 HG12 VAL A 21 -0.269 -8.677 -0.802 1.00 2.03 H new ATOM 0 HG13 VAL A 21 -0.851 -7.087 -0.256 1.00 2.03 H new ATOM 0 HG21 VAL A 21 -3.844 -7.839 -0.319 1.00 63.05 H new ATOM 0 HG22 VAL A 21 -3.197 -6.322 -0.989 1.00 63.05 H new ATOM 0 HG23 VAL A 21 -4.160 -7.410 -2.017 1.00 63.05 H new ATOM 326 N LYS A 22 -0.524 -9.371 -3.919 1.00 63.23 N ATOM 327 CA LYS A 22 0.580 -10.211 -4.370 1.00 74.13 C ATOM 328 C LYS A 22 1.550 -9.415 -5.237 1.00 62.31 C ATOM 329 O LYS A 22 2.765 -9.585 -5.140 1.00 30.12 O ATOM 330 CB LYS A 22 0.046 -11.412 -5.154 1.00 71.23 C ATOM 331 CG LYS A 22 -0.736 -11.028 -6.398 1.00 52.42 C ATOM 332 CD LYS A 22 -1.908 -11.966 -6.632 1.00 54.31 C ATOM 333 CE LYS A 22 -2.974 -11.804 -5.559 1.00 72.30 C ATOM 334 NZ LYS A 22 -3.454 -13.119 -5.052 1.00 31.55 N ATOM 0 H LYS A 22 -1.450 -9.749 -4.119 1.00 63.23 H new ATOM 0 HA LYS A 22 1.116 -10.568 -3.490 1.00 74.13 H new ATOM 0 HB2 LYS A 22 0.883 -12.048 -5.443 1.00 71.23 H new ATOM 0 HB3 LYS A 22 -0.594 -12.005 -4.501 1.00 71.23 H new ATOM 0 HG2 LYS A 22 -1.101 -10.006 -6.298 1.00 52.42 H new ATOM 0 HG3 LYS A 22 -0.075 -11.047 -7.265 1.00 52.42 H new ATOM 0 HD2 LYS A 22 -2.343 -11.769 -7.612 1.00 54.31 H new ATOM 0 HD3 LYS A 22 -1.554 -12.997 -6.642 1.00 54.31 H new ATOM 0 HE2 LYS A 22 -2.571 -11.221 -4.731 1.00 72.30 H new ATOM 0 HE3 LYS A 22 -3.815 -11.242 -5.965 1.00 72.30 H new ATOM 0 HZ1 LYS A 22 -4.179 -12.966 -4.323 1.00 31.55 H new ATOM 0 HZ2 LYS A 22 -3.862 -13.666 -5.837 1.00 31.55 H new ATOM 0 HZ3 LYS A 22 -2.656 -13.645 -4.642 1.00 31.55 H new ATOM 348 N GLU A 23 1.005 -8.546 -6.083 1.00 24.41 N ATOM 349 CA GLU A 23 1.825 -7.724 -6.966 1.00 33.42 C ATOM 350 C GLU A 23 2.454 -6.564 -6.200 1.00 52.02 C ATOM 351 O GLU A 23 3.640 -6.274 -6.357 1.00 42.21 O ATOM 352 CB GLU A 23 0.984 -7.188 -8.126 1.00 35.00 C ATOM 353 CG GLU A 23 1.743 -6.244 -9.043 1.00 11.01 C ATOM 354 CD GLU A 23 1.071 -6.075 -10.392 1.00 2.22 C ATOM 355 OE1 GLU A 23 0.587 -7.084 -10.945 1.00 64.21 O ATOM 356 OE2 GLU A 23 1.029 -4.932 -10.894 1.00 5.12 O ATOM 0 H GLU A 23 0.001 -8.393 -6.176 1.00 24.41 H new ATOM 0 HA GLU A 23 2.624 -8.349 -7.365 1.00 33.42 H new ATOM 0 HB2 GLU A 23 0.611 -8.028 -8.712 1.00 35.00 H new ATOM 0 HB3 GLU A 23 0.114 -6.669 -7.724 1.00 35.00 H new ATOM 0 HG2 GLU A 23 1.833 -5.270 -8.562 1.00 11.01 H new ATOM 0 HG3 GLU A 23 2.755 -6.622 -9.190 1.00 11.01 H new ATOM 363 N ILE A 24 1.650 -5.904 -5.373 1.00 24.12 N ATOM 364 CA ILE A 24 2.128 -4.776 -4.583 1.00 30.23 C ATOM 365 C ILE A 24 3.283 -5.189 -3.677 1.00 63.22 C ATOM 366 O ILE A 24 4.241 -4.439 -3.495 1.00 3.41 O ATOM 367 CB ILE A 24 1.002 -4.177 -3.719 1.00 24.21 C ATOM 368 CG1 ILE A 24 -0.164 -3.728 -4.602 1.00 21.32 C ATOM 369 CG2 ILE A 24 1.530 -3.012 -2.896 1.00 12.45 C ATOM 370 CD1 ILE A 24 -1.480 -3.634 -3.862 1.00 71.24 C ATOM 0 H ILE A 24 0.665 -6.131 -5.233 1.00 24.12 H new ATOM 0 HA ILE A 24 2.475 -4.021 -5.289 1.00 30.23 H new ATOM 0 HB ILE A 24 0.640 -4.945 -3.035 1.00 24.21 H new ATOM 0 HG12 ILE A 24 0.071 -2.755 -5.034 1.00 21.32 H new ATOM 0 HG13 ILE A 24 -0.272 -4.427 -5.431 1.00 21.32 H new ATOM 0 HG21 ILE A 24 0.723 -2.599 -2.291 1.00 12.45 H new ATOM 0 HG22 ILE A 24 2.331 -3.361 -2.244 1.00 12.45 H new ATOM 0 HG23 ILE A 24 1.915 -2.240 -3.563 1.00 12.45 H new ATOM 0 HD11 ILE A 24 -2.262 -3.310 -4.549 1.00 71.24 H new ATOM 0 HD12 ILE A 24 -1.738 -4.611 -3.453 1.00 71.24 H new ATOM 0 HD13 ILE A 24 -1.390 -2.913 -3.050 1.00 71.24 H new ATOM 382 N ALA A 25 3.187 -6.389 -3.114 1.00 15.24 N ATOM 383 CA ALA A 25 4.225 -6.904 -2.230 1.00 43.22 C ATOM 384 C ALA A 25 5.580 -6.926 -2.930 1.00 72.21 C ATOM 385 O ALA A 25 6.587 -6.493 -2.370 1.00 41.34 O ATOM 386 CB ALA A 25 3.859 -8.297 -1.741 1.00 32.13 C ATOM 0 H ALA A 25 2.400 -7.023 -3.255 1.00 15.24 H new ATOM 0 HA ALA A 25 4.299 -6.238 -1.371 1.00 43.22 H new ATOM 0 HB1 ALA A 25 4.643 -8.669 -1.082 1.00 32.13 H new ATOM 0 HB2 ALA A 25 2.916 -8.255 -1.196 1.00 32.13 H new ATOM 0 HB3 ALA A 25 3.755 -8.967 -2.595 1.00 32.13 H new ATOM 392 N LYS A 26 5.598 -7.435 -4.157 1.00 50.15 N ATOM 393 CA LYS A 26 6.829 -7.514 -4.935 1.00 53.14 C ATOM 394 C LYS A 26 7.289 -6.125 -5.368 1.00 73.54 C ATOM 395 O LYS A 26 8.486 -5.873 -5.508 1.00 34.40 O ATOM 396 CB LYS A 26 6.623 -8.401 -6.165 1.00 71.12 C ATOM 397 CG LYS A 26 6.038 -9.765 -5.840 1.00 51.34 C ATOM 398 CD LYS A 26 6.887 -10.508 -4.822 1.00 51.44 C ATOM 399 CE LYS A 26 8.283 -10.787 -5.358 1.00 74.24 C ATOM 400 NZ LYS A 26 8.841 -12.056 -4.815 1.00 63.34 N ATOM 0 H LYS A 26 4.774 -7.799 -4.635 1.00 50.15 H new ATOM 0 HA LYS A 26 7.601 -7.953 -4.303 1.00 53.14 H new ATOM 0 HB2 LYS A 26 5.963 -7.889 -6.865 1.00 71.12 H new ATOM 0 HB3 LYS A 26 7.580 -8.536 -6.670 1.00 71.12 H new ATOM 0 HG2 LYS A 26 5.026 -9.645 -5.453 1.00 51.34 H new ATOM 0 HG3 LYS A 26 5.962 -10.356 -6.753 1.00 51.34 H new ATOM 0 HD2 LYS A 26 6.958 -9.920 -3.907 1.00 51.44 H new ATOM 0 HD3 LYS A 26 6.402 -11.448 -4.559 1.00 51.44 H new ATOM 0 HE2 LYS A 26 8.250 -10.841 -6.446 1.00 74.24 H new ATOM 0 HE3 LYS A 26 8.944 -9.960 -5.099 1.00 74.24 H new ATOM 0 HZ1 LYS A 26 9.793 -12.211 -5.204 1.00 63.34 H new ATOM 0 HZ2 LYS A 26 8.896 -11.996 -3.778 1.00 63.34 H new ATOM 0 HZ3 LYS A 26 8.224 -12.849 -5.083 1.00 63.34 H new ATOM 414 N ARG A 27 6.331 -5.228 -5.578 1.00 32.30 N ATOM 415 CA ARG A 27 6.638 -3.866 -5.995 1.00 4.54 C ATOM 416 C ARG A 27 7.297 -3.086 -4.860 1.00 51.33 C ATOM 417 O ARG A 27 8.339 -2.458 -5.048 1.00 61.32 O ATOM 418 CB ARG A 27 5.366 -3.149 -6.449 1.00 15.22 C ATOM 419 CG ARG A 27 5.184 -3.127 -7.958 1.00 2.02 C ATOM 420 CD ARG A 27 4.258 -4.239 -8.424 1.00 21.43 C ATOM 421 NE ARG A 27 4.973 -5.495 -8.633 1.00 64.33 N ATOM 422 CZ ARG A 27 5.824 -5.699 -9.633 1.00 53.34 C ATOM 423 NH1 ARG A 27 6.064 -4.734 -10.510 1.00 51.34 N ATOM 424 NH2 ARG A 27 6.436 -6.869 -9.757 1.00 63.24 N ATOM 0 H ARG A 27 5.336 -5.421 -5.466 1.00 32.30 H new ATOM 0 HA ARG A 27 7.335 -3.917 -6.831 1.00 4.54 H new ATOM 0 HB2 ARG A 27 4.503 -3.636 -5.995 1.00 15.22 H new ATOM 0 HB3 ARG A 27 5.385 -2.124 -6.079 1.00 15.22 H new ATOM 0 HG2 ARG A 27 4.778 -2.162 -8.262 1.00 2.02 H new ATOM 0 HG3 ARG A 27 6.154 -3.232 -8.444 1.00 2.02 H new ATOM 0 HD2 ARG A 27 3.471 -4.389 -7.685 1.00 21.43 H new ATOM 0 HD3 ARG A 27 3.771 -3.940 -9.352 1.00 21.43 H new ATOM 0 HE ARG A 27 4.810 -6.258 -7.975 1.00 64.33 H new ATOM 0 HH11 ARG A 27 5.595 -3.833 -10.418 1.00 51.34 H new ATOM 0 HH12 ARG A 27 6.718 -4.893 -11.277 1.00 51.34 H new ATOM 0 HH21 ARG A 27 6.254 -7.614 -9.084 1.00 63.24 H new ATOM 0 HH22 ARG A 27 7.089 -7.024 -10.525 1.00 63.24 H new ATOM 438 N SER A 28 6.681 -3.130 -3.683 1.00 52.33 N ATOM 439 CA SER A 28 7.204 -2.424 -2.520 1.00 4.04 C ATOM 440 C SER A 28 8.211 -3.289 -1.767 1.00 34.21 C ATOM 441 O SER A 28 8.750 -2.881 -0.739 1.00 62.24 O ATOM 442 CB SER A 28 6.062 -2.020 -1.585 1.00 43.03 C ATOM 443 OG SER A 28 5.338 -3.155 -1.145 1.00 74.41 O ATOM 0 H SER A 28 5.819 -3.647 -3.510 1.00 52.33 H new ATOM 0 HA SER A 28 7.712 -1.525 -2.870 1.00 4.04 H new ATOM 0 HB2 SER A 28 6.464 -1.485 -0.725 1.00 43.03 H new ATOM 0 HB3 SER A 28 5.390 -1.334 -2.101 1.00 43.03 H new ATOM 0 HG SER A 28 4.833 -3.532 -1.896 1.00 74.41 H new ATOM 449 N ASN A 29 8.457 -4.487 -2.287 1.00 63.11 N ATOM 450 CA ASN A 29 9.398 -5.412 -1.665 1.00 1.42 C ATOM 451 C ASN A 29 8.973 -5.741 -0.237 1.00 4.42 C ATOM 452 O ASN A 29 9.808 -6.042 0.616 1.00 54.23 O ATOM 453 CB ASN A 29 10.807 -4.815 -1.665 1.00 61.42 C ATOM 454 CG ASN A 29 11.877 -5.861 -1.910 1.00 65.33 C ATOM 455 OD1 ASN A 29 12.722 -5.706 -2.792 1.00 64.10 O ATOM 456 ND2 ASN A 29 11.846 -6.934 -1.129 1.00 33.53 N ATOM 0 H ASN A 29 8.018 -4.840 -3.137 1.00 63.11 H new ATOM 0 HA ASN A 29 9.401 -6.334 -2.246 1.00 1.42 H new ATOM 0 HB2 ASN A 29 10.873 -4.045 -2.434 1.00 61.42 H new ATOM 0 HB3 ASN A 29 10.992 -4.327 -0.708 1.00 61.42 H new ATOM 0 HD21 ASN A 29 12.541 -7.671 -1.248 1.00 33.53 H new ATOM 0 HD22 ASN A 29 11.127 -7.021 -0.410 1.00 33.53 H new ATOM 463 N ASN A 30 7.670 -5.681 0.016 1.00 72.14 N ATOM 464 CA ASN A 30 7.134 -5.973 1.340 1.00 12.22 C ATOM 465 C ASN A 30 6.388 -7.304 1.344 1.00 0.23 C ATOM 466 O ASN A 30 6.297 -7.979 0.319 1.00 21.22 O ATOM 467 CB ASN A 30 6.198 -4.850 1.793 1.00 4.13 C ATOM 468 CG ASN A 30 6.906 -3.820 2.652 1.00 14.43 C ATOM 469 OD1 ASN A 30 7.644 -4.166 3.574 1.00 3.54 O ATOM 470 ND2 ASN A 30 6.681 -2.545 2.353 1.00 65.42 N ATOM 0 H ASN A 30 6.966 -5.433 -0.679 1.00 72.14 H new ATOM 0 HA ASN A 30 7.970 -6.043 2.036 1.00 12.22 H new ATOM 0 HB2 ASN A 30 5.773 -4.359 0.917 1.00 4.13 H new ATOM 0 HB3 ASN A 30 5.367 -5.277 2.354 1.00 4.13 H new ATOM 0 HD21 ASN A 30 7.128 -1.807 2.897 1.00 65.42 H new ATOM 0 HD22 ASN A 30 6.061 -2.304 1.579 1.00 65.42 H new ATOM 477 N SER A 31 5.856 -7.674 2.505 1.00 55.15 N ATOM 478 CA SER A 31 5.120 -8.925 2.643 1.00 22.54 C ATOM 479 C SER A 31 3.616 -8.684 2.560 1.00 61.03 C ATOM 480 O SER A 31 3.142 -7.569 2.778 1.00 24.55 O ATOM 481 CB SER A 31 5.467 -9.600 3.972 1.00 73.40 C ATOM 482 OG SER A 31 6.400 -10.650 3.783 1.00 42.42 O ATOM 0 H SER A 31 5.921 -7.126 3.363 1.00 55.15 H new ATOM 0 HA SER A 31 5.410 -9.581 1.822 1.00 22.54 H new ATOM 0 HB2 SER A 31 5.879 -8.863 4.661 1.00 73.40 H new ATOM 0 HB3 SER A 31 4.560 -9.993 4.431 1.00 73.40 H new ATOM 0 HG SER A 31 6.606 -11.064 4.647 1.00 42.42 H new ATOM 488 N MET A 32 2.871 -9.737 2.241 1.00 31.44 N ATOM 489 CA MET A 32 1.420 -9.641 2.130 1.00 41.14 C ATOM 490 C MET A 32 0.813 -9.072 3.408 1.00 30.23 C ATOM 491 O MET A 32 -0.198 -8.371 3.368 1.00 21.00 O ATOM 492 CB MET A 32 0.818 -11.015 1.833 1.00 75.45 C ATOM 493 CG MET A 32 0.639 -11.293 0.349 1.00 41.13 C ATOM 494 SD MET A 32 0.801 -13.043 -0.055 1.00 42.31 S ATOM 495 CE MET A 32 2.516 -13.114 -0.568 1.00 72.40 C ATOM 0 H MET A 32 3.248 -10.666 2.055 1.00 31.44 H new ATOM 0 HA MET A 32 1.188 -8.965 1.307 1.00 41.14 H new ATOM 0 HB2 MET A 32 1.459 -11.784 2.263 1.00 75.45 H new ATOM 0 HB3 MET A 32 -0.150 -11.093 2.328 1.00 75.45 H new ATOM 0 HG2 MET A 32 -0.343 -10.941 0.033 1.00 41.13 H new ATOM 0 HG3 MET A 32 1.378 -10.724 -0.215 1.00 41.13 H new ATOM 0 HE1 MET A 32 2.769 -14.136 -0.850 1.00 72.40 H new ATOM 0 HE2 MET A 32 2.668 -12.454 -1.422 1.00 72.40 H new ATOM 0 HE3 MET A 32 3.156 -12.796 0.255 1.00 72.40 H new ATOM 505 N SER A 33 1.436 -9.379 4.541 1.00 20.45 N ATOM 506 CA SER A 33 0.954 -8.902 5.832 1.00 22.04 C ATOM 507 C SER A 33 1.366 -7.451 6.063 1.00 75.00 C ATOM 508 O SER A 33 0.743 -6.733 6.846 1.00 20.25 O ATOM 509 CB SER A 33 1.496 -9.783 6.960 1.00 14.20 C ATOM 510 OG SER A 33 0.891 -11.064 6.941 1.00 32.24 O ATOM 0 H SER A 33 2.276 -9.956 4.591 1.00 20.45 H new ATOM 0 HA SER A 33 -0.135 -8.957 5.828 1.00 22.04 H new ATOM 0 HB2 SER A 33 2.576 -9.886 6.858 1.00 14.20 H new ATOM 0 HB3 SER A 33 1.310 -9.304 7.921 1.00 14.20 H new ATOM 0 HG SER A 33 1.255 -11.609 7.670 1.00 32.24 H new ATOM 516 N THR A 34 2.420 -7.025 5.374 1.00 11.33 N ATOM 517 CA THR A 34 2.917 -5.661 5.504 1.00 55.34 C ATOM 518 C THR A 34 2.150 -4.708 4.593 1.00 2.13 C ATOM 519 O THR A 34 1.673 -3.662 5.034 1.00 51.15 O ATOM 520 CB THR A 34 4.418 -5.575 5.170 1.00 72.43 C ATOM 521 OG1 THR A 34 5.141 -6.568 5.907 1.00 52.51 O ATOM 522 CG2 THR A 34 4.967 -4.195 5.495 1.00 50.53 C ATOM 0 H THR A 34 2.946 -7.605 4.720 1.00 11.33 H new ATOM 0 HA THR A 34 2.767 -5.368 6.543 1.00 55.34 H new ATOM 0 HB THR A 34 4.541 -5.754 4.102 1.00 72.43 H new ATOM 0 HG1 THR A 34 6.094 -6.508 5.688 1.00 52.51 H new ATOM 0 HG21 THR A 34 6.029 -4.159 5.251 1.00 50.53 H new ATOM 0 HG22 THR A 34 4.434 -3.445 4.911 1.00 50.53 H new ATOM 0 HG23 THR A 34 4.832 -3.991 6.557 1.00 50.53 H new ATOM 530 N VAL A 35 2.035 -5.076 3.321 1.00 21.23 N ATOM 531 CA VAL A 35 1.325 -4.255 2.349 1.00 55.42 C ATOM 532 C VAL A 35 -0.150 -4.125 2.712 1.00 14.11 C ATOM 533 O VAL A 35 -0.666 -3.018 2.872 1.00 72.42 O ATOM 534 CB VAL A 35 1.443 -4.838 0.928 1.00 14.02 C ATOM 535 CG1 VAL A 35 0.380 -4.244 0.017 1.00 52.33 C ATOM 536 CG2 VAL A 35 2.835 -4.594 0.367 1.00 62.23 C ATOM 0 H VAL A 35 2.425 -5.938 2.940 1.00 21.23 H new ATOM 0 HA VAL A 35 1.789 -3.269 2.369 1.00 55.42 H new ATOM 0 HB VAL A 35 1.281 -5.915 0.981 1.00 14.02 H new ATOM 0 HG11 VAL A 35 0.479 -4.668 -0.982 1.00 52.33 H new ATOM 0 HG12 VAL A 35 -0.609 -4.475 0.413 1.00 52.33 H new ATOM 0 HG13 VAL A 35 0.507 -3.163 -0.033 1.00 52.33 H new ATOM 0 HG21 VAL A 35 2.901 -5.012 -0.637 1.00 62.23 H new ATOM 0 HG22 VAL A 35 3.028 -3.522 0.327 1.00 62.23 H new ATOM 0 HG23 VAL A 35 3.575 -5.073 1.009 1.00 62.23 H new ATOM 546 N TYR A 36 -0.824 -5.262 2.842 1.00 71.33 N ATOM 547 CA TYR A 36 -2.241 -5.276 3.185 1.00 72.54 C ATOM 548 C TYR A 36 -2.508 -4.440 4.432 1.00 53.41 C ATOM 549 O TYR A 36 -3.505 -3.721 4.511 1.00 60.11 O ATOM 550 CB TYR A 36 -2.719 -6.712 3.408 1.00 30.22 C ATOM 551 CG TYR A 36 -4.215 -6.882 3.267 1.00 41.51 C ATOM 552 CD1 TYR A 36 -4.857 -6.589 2.070 1.00 32.22 C ATOM 553 CD2 TYR A 36 -4.986 -7.335 4.330 1.00 2.04 C ATOM 554 CE1 TYR A 36 -6.224 -6.742 1.937 1.00 4.31 C ATOM 555 CE2 TYR A 36 -6.353 -7.492 4.206 1.00 43.11 C ATOM 556 CZ TYR A 36 -6.967 -7.194 3.008 1.00 40.55 C ATOM 557 OH TYR A 36 -8.328 -7.348 2.878 1.00 32.15 O ATOM 0 H TYR A 36 -0.412 -6.186 2.715 1.00 71.33 H new ATOM 0 HA TYR A 36 -2.794 -4.841 2.353 1.00 72.54 H new ATOM 0 HB2 TYR A 36 -2.219 -7.367 2.695 1.00 30.22 H new ATOM 0 HB3 TYR A 36 -2.417 -7.036 4.404 1.00 30.22 H new ATOM 0 HD1 TYR A 36 -4.278 -6.236 1.230 1.00 32.22 H new ATOM 0 HD2 TYR A 36 -4.508 -7.569 5.270 1.00 2.04 H new ATOM 0 HE1 TYR A 36 -6.708 -6.509 1.000 1.00 4.31 H new ATOM 0 HE2 TYR A 36 -6.937 -7.846 5.043 1.00 43.11 H new ATOM 0 HH TYR A 36 -8.702 -7.675 3.723 1.00 32.15 H new ATOM 567 N LYS A 37 -1.610 -4.538 5.406 1.00 45.44 N ATOM 568 CA LYS A 37 -1.744 -3.790 6.650 1.00 51.51 C ATOM 569 C LYS A 37 -1.746 -2.287 6.384 1.00 20.53 C ATOM 570 O LYS A 37 -2.371 -1.519 7.115 1.00 24.31 O ATOM 571 CB LYS A 37 -0.607 -4.147 7.610 1.00 61.05 C ATOM 572 CG LYS A 37 -0.978 -5.219 8.620 1.00 41.22 C ATOM 573 CD LYS A 37 -1.959 -4.694 9.655 1.00 42.02 C ATOM 574 CE LYS A 37 -1.913 -5.516 10.934 1.00 45.12 C ATOM 575 NZ LYS A 37 -2.665 -4.863 12.040 1.00 11.34 N ATOM 0 H LYS A 37 -0.780 -5.129 5.358 1.00 45.44 H new ATOM 0 HA LYS A 37 -2.695 -4.062 7.107 1.00 51.51 H new ATOM 0 HB2 LYS A 37 0.252 -4.486 7.032 1.00 61.05 H new ATOM 0 HB3 LYS A 37 -0.298 -3.248 8.144 1.00 61.05 H new ATOM 0 HG2 LYS A 37 -1.416 -6.072 8.102 1.00 41.22 H new ATOM 0 HG3 LYS A 37 -0.078 -5.577 9.119 1.00 41.22 H new ATOM 0 HD2 LYS A 37 -1.728 -3.653 9.882 1.00 42.02 H new ATOM 0 HD3 LYS A 37 -2.968 -4.714 9.244 1.00 42.02 H new ATOM 0 HE2 LYS A 37 -2.331 -6.505 10.745 1.00 45.12 H new ATOM 0 HE3 LYS A 37 -0.876 -5.660 11.236 1.00 45.12 H new ATOM 0 HZ1 LYS A 37 -2.610 -5.454 12.894 1.00 11.34 H new ATOM 0 HZ2 LYS A 37 -2.251 -3.930 12.238 1.00 11.34 H new ATOM 0 HZ3 LYS A 37 -3.661 -4.748 11.762 1.00 11.34 H new ATOM 589 N ALA A 38 -1.044 -1.876 5.333 1.00 32.23 N ATOM 590 CA ALA A 38 -0.968 -0.467 4.970 1.00 53.34 C ATOM 591 C ALA A 38 -2.241 -0.013 4.263 1.00 12.31 C ATOM 592 O ALA A 38 -2.752 1.078 4.522 1.00 61.11 O ATOM 593 CB ALA A 38 0.246 -0.214 4.088 1.00 13.31 C ATOM 0 H ALA A 38 -0.520 -2.499 4.718 1.00 32.23 H new ATOM 0 HA ALA A 38 -0.865 0.114 5.887 1.00 53.34 H new ATOM 0 HB1 ALA A 38 0.290 0.843 3.824 1.00 13.31 H new ATOM 0 HB2 ALA A 38 1.152 -0.492 4.627 1.00 13.31 H new ATOM 0 HB3 ALA A 38 0.167 -0.811 3.180 1.00 13.31 H new ATOM 599 N LEU A 39 -2.749 -0.855 3.370 1.00 42.32 N ATOM 600 CA LEU A 39 -3.963 -0.540 2.625 1.00 43.52 C ATOM 601 C LEU A 39 -5.144 -0.340 3.568 1.00 14.24 C ATOM 602 O LEU A 39 -5.864 0.654 3.474 1.00 35.53 O ATOM 603 CB LEU A 39 -4.276 -1.655 1.626 1.00 62.00 C ATOM 604 CG LEU A 39 -3.116 -2.106 0.738 1.00 25.22 C ATOM 605 CD1 LEU A 39 -3.509 -3.331 -0.073 1.00 52.55 C ATOM 606 CD2 LEU A 39 -2.675 -0.975 -0.179 1.00 42.13 C ATOM 0 H LEU A 39 -2.339 -1.761 3.144 1.00 42.32 H new ATOM 0 HA LEU A 39 -3.795 0.390 2.081 1.00 43.52 H new ATOM 0 HB2 LEU A 39 -4.641 -2.520 2.180 1.00 62.00 H new ATOM 0 HB3 LEU A 39 -5.091 -1.321 0.983 1.00 62.00 H new ATOM 0 HG LEU A 39 -2.276 -2.375 1.379 1.00 25.22 H new ATOM 0 HD11 LEU A 39 -2.671 -3.637 -0.699 1.00 52.55 H new ATOM 0 HD12 LEU A 39 -3.774 -4.145 0.602 1.00 52.55 H new ATOM 0 HD13 LEU A 39 -4.364 -3.090 -0.704 1.00 52.55 H new ATOM 0 HD21 LEU A 39 -1.849 -1.314 -0.804 1.00 42.13 H new ATOM 0 HD22 LEU A 39 -3.509 -0.674 -0.813 1.00 42.13 H new ATOM 0 HD23 LEU A 39 -2.351 -0.125 0.422 1.00 42.13 H new ATOM 618 N GLU A 40 -5.336 -1.290 4.478 1.00 4.14 N ATOM 619 CA GLU A 40 -6.429 -1.217 5.440 1.00 14.40 C ATOM 620 C GLU A 40 -6.363 0.080 6.242 1.00 51.24 C ATOM 621 O GLU A 40 -7.379 0.574 6.732 1.00 70.52 O ATOM 622 CB GLU A 40 -6.386 -2.417 6.387 1.00 34.34 C ATOM 623 CG GLU A 40 -5.083 -2.538 7.158 1.00 25.21 C ATOM 624 CD GLU A 40 -5.234 -3.336 8.439 1.00 43.40 C ATOM 625 OE1 GLU A 40 -5.907 -4.387 8.408 1.00 11.42 O ATOM 626 OE2 GLU A 40 -4.678 -2.908 9.472 1.00 23.04 O ATOM 0 H GLU A 40 -4.749 -2.119 4.569 1.00 4.14 H new ATOM 0 HA GLU A 40 -7.367 -1.234 4.886 1.00 14.40 H new ATOM 0 HB2 GLU A 40 -7.211 -2.340 7.095 1.00 34.34 H new ATOM 0 HB3 GLU A 40 -6.544 -3.329 5.811 1.00 34.34 H new ATOM 0 HG2 GLU A 40 -4.334 -3.013 6.525 1.00 25.21 H new ATOM 0 HG3 GLU A 40 -4.713 -1.541 7.397 1.00 25.21 H new ATOM 633 N LYS A 41 -5.159 0.628 6.371 1.00 33.44 N ATOM 634 CA LYS A 41 -4.958 1.867 7.112 1.00 2.23 C ATOM 635 C LYS A 41 -5.361 3.075 6.272 1.00 21.22 C ATOM 636 O LYS A 41 -6.126 3.929 6.722 1.00 41.23 O ATOM 637 CB LYS A 41 -3.495 1.997 7.542 1.00 63.33 C ATOM 638 CG LYS A 41 -3.284 1.843 9.038 1.00 11.31 C ATOM 639 CD LYS A 41 -3.573 0.425 9.499 1.00 32.34 C ATOM 640 CE LYS A 41 -4.949 0.316 10.138 1.00 33.03 C ATOM 641 NZ LYS A 41 -4.941 -0.586 11.323 1.00 71.41 N ATOM 0 H LYS A 41 -4.308 0.233 5.972 1.00 33.44 H new ATOM 0 HA LYS A 41 -5.590 1.836 8.000 1.00 2.23 H new ATOM 0 HB2 LYS A 41 -2.904 1.244 7.021 1.00 63.33 H new ATOM 0 HB3 LYS A 41 -3.118 2.971 7.229 1.00 63.33 H new ATOM 0 HG2 LYS A 41 -2.257 2.106 9.290 1.00 11.31 H new ATOM 0 HG3 LYS A 41 -3.932 2.539 9.571 1.00 11.31 H new ATOM 0 HD2 LYS A 41 -3.510 -0.255 8.649 1.00 32.34 H new ATOM 0 HD3 LYS A 41 -2.813 0.112 10.214 1.00 32.34 H new ATOM 0 HE2 LYS A 41 -5.289 1.307 10.438 1.00 33.03 H new ATOM 0 HE3 LYS A 41 -5.662 -0.057 9.403 1.00 33.03 H new ATOM 0 HZ1 LYS A 41 -5.826 -0.466 11.857 1.00 71.41 H new ATOM 0 HZ2 LYS A 41 -4.858 -1.573 11.007 1.00 71.41 H new ATOM 0 HZ3 LYS A 41 -4.133 -0.349 11.934 1.00 71.41 H new ATOM 655 N LEU A 42 -4.843 3.139 5.051 1.00 51.15 N ATOM 656 CA LEU A 42 -5.151 4.242 4.146 1.00 25.14 C ATOM 657 C LEU A 42 -6.631 4.249 3.780 1.00 12.43 C ATOM 658 O LEU A 42 -7.289 5.287 3.839 1.00 13.45 O ATOM 659 CB LEU A 42 -4.301 4.140 2.879 1.00 45.13 C ATOM 660 CG LEU A 42 -2.834 4.548 3.019 1.00 3.35 C ATOM 661 CD1 LEU A 42 -1.920 3.431 2.540 1.00 73.01 C ATOM 662 CD2 LEU A 42 -2.561 5.831 2.248 1.00 43.13 C ATOM 0 H LEU A 42 -4.208 2.441 4.664 1.00 51.15 H new ATOM 0 HA LEU A 42 -4.918 5.176 4.658 1.00 25.14 H new ATOM 0 HB2 LEU A 42 -4.338 3.111 2.523 1.00 45.13 H new ATOM 0 HB3 LEU A 42 -4.758 4.761 2.108 1.00 45.13 H new ATOM 0 HG LEU A 42 -2.627 4.731 4.074 1.00 3.35 H new ATOM 0 HD11 LEU A 42 -0.880 3.740 2.647 1.00 73.01 H new ATOM 0 HD12 LEU A 42 -2.096 2.536 3.137 1.00 73.01 H new ATOM 0 HD13 LEU A 42 -2.128 3.215 1.492 1.00 73.01 H new ATOM 0 HD21 LEU A 42 -1.512 6.106 2.359 1.00 43.13 H new ATOM 0 HD22 LEU A 42 -2.786 5.676 1.193 1.00 43.13 H new ATOM 0 HD23 LEU A 42 -3.189 6.631 2.639 1.00 43.13 H new ATOM 674 N GLU A 43 -7.149 3.084 3.404 1.00 25.11 N ATOM 675 CA GLU A 43 -8.552 2.957 3.030 1.00 12.11 C ATOM 676 C GLU A 43 -9.460 3.494 4.133 1.00 42.31 C ATOM 677 O GLU A 43 -10.420 4.215 3.865 1.00 55.14 O ATOM 678 CB GLU A 43 -8.895 1.495 2.739 1.00 33.42 C ATOM 679 CG GLU A 43 -9.744 1.305 1.494 1.00 74.35 C ATOM 680 CD GLU A 43 -11.216 1.123 1.812 1.00 3.44 C ATOM 681 OE1 GLU A 43 -11.638 1.534 2.914 1.00 73.23 O ATOM 682 OE2 GLU A 43 -11.944 0.571 0.962 1.00 51.43 O ATOM 0 H GLU A 43 -6.618 2.215 3.350 1.00 25.11 H new ATOM 0 HA GLU A 43 -8.716 3.547 2.129 1.00 12.11 H new ATOM 0 HB2 GLU A 43 -7.970 0.929 2.628 1.00 33.42 H new ATOM 0 HB3 GLU A 43 -9.423 1.077 3.596 1.00 33.42 H new ATOM 0 HG2 GLU A 43 -9.622 2.169 0.840 1.00 74.35 H new ATOM 0 HG3 GLU A 43 -9.385 0.435 0.944 1.00 74.35 H new ATOM 689 N ALA A 44 -9.148 3.137 5.374 1.00 23.04 N ATOM 690 CA ALA A 44 -9.933 3.584 6.518 1.00 32.51 C ATOM 691 C ALA A 44 -9.956 5.106 6.608 1.00 74.44 C ATOM 692 O ALA A 44 -10.862 5.688 7.203 1.00 32.23 O ATOM 693 CB ALA A 44 -9.381 2.986 7.804 1.00 64.34 C ATOM 0 H ALA A 44 -8.357 2.539 5.613 1.00 23.04 H new ATOM 0 HA ALA A 44 -10.958 3.239 6.380 1.00 32.51 H new ATOM 0 HB1 ALA A 44 -9.977 3.329 8.650 1.00 64.34 H new ATOM 0 HB2 ALA A 44 -9.423 1.898 7.747 1.00 64.34 H new ATOM 0 HB3 ALA A 44 -8.346 3.302 7.938 1.00 64.34 H new ATOM 699 N MET A 45 -8.954 5.744 6.012 1.00 13.13 N ATOM 700 CA MET A 45 -8.861 7.199 6.025 1.00 0.30 C ATOM 701 C MET A 45 -9.424 7.791 4.737 1.00 42.42 C ATOM 702 O MET A 45 -9.836 8.950 4.703 1.00 32.02 O ATOM 703 CB MET A 45 -7.406 7.637 6.208 1.00 35.12 C ATOM 704 CG MET A 45 -6.787 7.158 7.511 1.00 14.24 C ATOM 705 SD MET A 45 -7.245 8.190 8.918 1.00 63.22 S ATOM 706 CE MET A 45 -7.458 6.950 10.192 1.00 31.52 C ATOM 0 H MET A 45 -8.196 5.277 5.515 1.00 13.13 H new ATOM 0 HA MET A 45 -9.452 7.569 6.863 1.00 0.30 H new ATOM 0 HB2 MET A 45 -6.814 7.260 5.374 1.00 35.12 H new ATOM 0 HB3 MET A 45 -7.355 8.725 6.169 1.00 35.12 H new ATOM 0 HG2 MET A 45 -7.099 6.131 7.701 1.00 14.24 H new ATOM 0 HG3 MET A 45 -5.702 7.148 7.411 1.00 14.24 H new ATOM 0 HE1 MET A 45 -7.743 7.434 11.126 1.00 31.52 H new ATOM 0 HE2 MET A 45 -8.238 6.251 9.892 1.00 31.52 H new ATOM 0 HE3 MET A 45 -6.522 6.410 10.334 1.00 31.52 H new ATOM 716 N GLY A 46 -9.437 6.988 3.678 1.00 74.25 N ATOM 717 CA GLY A 46 -9.951 7.451 2.402 1.00 73.32 C ATOM 718 C GLY A 46 -8.860 7.991 1.499 1.00 72.54 C ATOM 719 O GLY A 46 -9.092 8.914 0.718 1.00 4.23 O ATOM 0 H GLY A 46 -9.101 6.025 3.681 1.00 74.25 H new ATOM 0 HA2 GLY A 46 -10.461 6.629 1.899 1.00 73.32 H new ATOM 0 HA3 GLY A 46 -10.694 8.229 2.574 1.00 73.32 H new ATOM 723 N ARG A 47 -7.667 7.415 1.605 1.00 32.41 N ATOM 724 CA ARG A 47 -6.536 7.846 0.793 1.00 25.24 C ATOM 725 C ARG A 47 -6.447 7.030 -0.493 1.00 60.10 C ATOM 726 O ARG A 47 -6.114 7.560 -1.554 1.00 33.43 O ATOM 727 CB ARG A 47 -5.233 7.713 1.585 1.00 51.13 C ATOM 728 CG ARG A 47 -5.355 8.148 3.036 1.00 32.21 C ATOM 729 CD ARG A 47 -5.720 9.620 3.148 1.00 73.31 C ATOM 730 NE ARG A 47 -4.606 10.424 3.642 1.00 42.12 N ATOM 731 CZ ARG A 47 -4.695 11.725 3.897 1.00 24.41 C ATOM 732 NH1 ARG A 47 -5.840 12.364 3.707 1.00 51.35 N ATOM 733 NH2 ARG A 47 -3.636 12.388 4.345 1.00 60.15 N ATOM 0 H ARG A 47 -7.459 6.649 2.245 1.00 32.41 H new ATOM 0 HA ARG A 47 -6.688 8.892 0.529 1.00 25.24 H new ATOM 0 HB2 ARG A 47 -4.902 6.675 1.552 1.00 51.13 H new ATOM 0 HB3 ARG A 47 -4.460 8.309 1.100 1.00 51.13 H new ATOM 0 HG2 ARG A 47 -6.114 7.545 3.535 1.00 32.21 H new ATOM 0 HG3 ARG A 47 -4.412 7.966 3.552 1.00 32.21 H new ATOM 0 HD2 ARG A 47 -6.030 9.992 2.171 1.00 73.31 H new ATOM 0 HD3 ARG A 47 -6.573 9.732 3.818 1.00 73.31 H new ATOM 0 HE ARG A 47 -3.711 9.962 3.800 1.00 42.12 H new ATOM 0 HH11 ARG A 47 -6.656 11.857 3.364 1.00 51.35 H new ATOM 0 HH12 ARG A 47 -5.905 13.363 3.904 1.00 51.35 H new ATOM 0 HH21 ARG A 47 -2.753 11.899 4.494 1.00 60.15 H new ATOM 0 HH22 ARG A 47 -3.705 13.387 4.541 1.00 60.15 H new ATOM 747 N ILE A 48 -6.746 5.739 -0.391 1.00 12.42 N ATOM 748 CA ILE A 48 -6.701 4.851 -1.546 1.00 2.43 C ATOM 749 C ILE A 48 -8.077 4.714 -2.188 1.00 32.44 C ATOM 750 O ILE A 48 -8.368 3.719 -2.853 1.00 45.54 O ATOM 751 CB ILE A 48 -6.184 3.453 -1.160 1.00 71.45 C ATOM 752 CG1 ILE A 48 -7.039 2.860 -0.038 1.00 50.43 C ATOM 753 CG2 ILE A 48 -4.724 3.525 -0.739 1.00 61.15 C ATOM 754 CD1 ILE A 48 -6.668 1.438 0.318 1.00 63.12 C ATOM 0 H ILE A 48 -7.022 5.285 0.480 1.00 12.42 H new ATOM 0 HA ILE A 48 -6.012 5.299 -2.263 1.00 2.43 H new ATOM 0 HB ILE A 48 -6.259 2.802 -2.031 1.00 71.45 H new ATOM 0 HG12 ILE A 48 -6.943 3.485 0.850 1.00 50.43 H new ATOM 0 HG13 ILE A 48 -8.087 2.889 -0.337 1.00 50.43 H new ATOM 0 HG21 ILE A 48 -4.374 2.529 -0.469 1.00 61.15 H new ATOM 0 HG22 ILE A 48 -4.126 3.909 -1.565 1.00 61.15 H new ATOM 0 HG23 ILE A 48 -4.625 4.189 0.120 1.00 61.15 H new ATOM 0 HD11 ILE A 48 -7.315 1.083 1.120 1.00 63.12 H new ATOM 0 HD12 ILE A 48 -6.791 0.800 -0.557 1.00 63.12 H new ATOM 0 HD13 ILE A 48 -5.630 1.405 0.648 1.00 63.12 H new ATOM 1035 N THR A 62 -38.241 3.622 -8.109 1.00 1.21 N ATOM 1036 CA THR A 62 -38.285 2.737 -6.952 1.00 63.21 C ATOM 1037 C THR A 62 -38.011 3.503 -5.663 1.00 23.32 C ATOM 1038 O THR A 62 -37.506 4.624 -5.692 1.00 50.55 O ATOM 1039 CB THR A 62 -37.263 1.591 -7.082 1.00 51.43 C ATOM 1040 OG1 THR A 62 -37.069 1.263 -8.462 1.00 61.34 O ATOM 1041 CG2 THR A 62 -37.732 0.359 -6.323 1.00 50.25 C ATOM 0 HA THR A 62 -39.290 2.316 -6.914 1.00 63.21 H new ATOM 0 HB THR A 62 -36.319 1.925 -6.652 1.00 51.43 H new ATOM 0 HG1 THR A 62 -37.342 2.021 -9.020 1.00 61.34 H new ATOM 0 HG21 THR A 62 -36.994 -0.437 -6.429 1.00 50.25 H new ATOM 0 HG22 THR A 62 -37.851 0.605 -5.268 1.00 50.25 H new ATOM 0 HG23 THR A 62 -38.687 0.024 -6.727 1.00 50.25 H new ATOM 1049 N GLU A 63 -38.346 2.889 -4.532 1.00 73.34 N ATOM 1050 CA GLU A 63 -38.136 3.515 -3.232 1.00 63.34 C ATOM 1051 C GLU A 63 -36.695 3.996 -3.087 1.00 62.41 C ATOM 1052 O GLU A 63 -36.440 5.063 -2.530 1.00 64.24 O ATOM 1053 CB GLU A 63 -38.473 2.533 -2.108 1.00 71.02 C ATOM 1054 CG GLU A 63 -39.944 2.525 -1.728 1.00 11.31 C ATOM 1055 CD GLU A 63 -40.518 1.124 -1.644 1.00 2.20 C ATOM 1056 OE1 GLU A 63 -39.746 0.182 -1.368 1.00 51.11 O ATOM 1057 OE2 GLU A 63 -41.739 0.970 -1.854 1.00 52.33 O ATOM 0 H GLU A 63 -38.764 1.959 -4.490 1.00 73.34 H new ATOM 0 HA GLU A 63 -38.798 4.378 -3.161 1.00 63.34 H new ATOM 0 HB2 GLU A 63 -38.180 1.529 -2.414 1.00 71.02 H new ATOM 0 HB3 GLU A 63 -37.880 2.784 -1.228 1.00 71.02 H new ATOM 0 HG2 GLU A 63 -40.070 3.023 -0.767 1.00 11.31 H new ATOM 0 HG3 GLU A 63 -40.508 3.101 -2.462 1.00 11.31 H new ATOM 1064 N GLU A 64 -35.758 3.199 -3.592 1.00 5.33 N ATOM 1065 CA GLU A 64 -34.342 3.543 -3.517 1.00 15.23 C ATOM 1066 C GLU A 64 -34.063 4.857 -4.241 1.00 23.11 C ATOM 1067 O GLU A 64 -33.231 5.652 -3.805 1.00 42.03 O ATOM 1068 CB GLU A 64 -33.490 2.424 -4.119 1.00 53.44 C ATOM 1069 CG GLU A 64 -32.976 1.430 -3.092 1.00 3.31 C ATOM 1070 CD GLU A 64 -33.796 0.156 -3.051 1.00 72.35 C ATOM 1071 OE1 GLU A 64 -34.838 0.142 -2.364 1.00 34.21 O ATOM 1072 OE2 GLU A 64 -33.395 -0.828 -3.708 1.00 74.13 O ATOM 0 H GLU A 64 -35.953 2.312 -4.057 1.00 5.33 H new ATOM 0 HA GLU A 64 -34.078 3.664 -2.466 1.00 15.23 H new ATOM 0 HB2 GLU A 64 -34.080 1.891 -4.864 1.00 53.44 H new ATOM 0 HB3 GLU A 64 -32.641 2.866 -4.641 1.00 53.44 H new ATOM 0 HG2 GLU A 64 -31.939 1.183 -3.319 1.00 3.31 H new ATOM 0 HG3 GLU A 64 -32.985 1.895 -2.106 1.00 3.31 H new ATOM 1079 N GLU A 65 -34.764 5.076 -5.349 1.00 1.11 N ATOM 1080 CA GLU A 65 -34.590 6.292 -6.134 1.00 42.42 C ATOM 1081 C GLU A 65 -35.199 7.494 -5.418 1.00 2.31 C ATOM 1082 O GLU A 65 -34.630 8.587 -5.421 1.00 53.01 O ATOM 1083 CB GLU A 65 -35.229 6.130 -7.515 1.00 44.21 C ATOM 1084 CG GLU A 65 -34.487 5.160 -8.419 1.00 21.54 C ATOM 1085 CD GLU A 65 -32.998 5.439 -8.478 1.00 2.40 C ATOM 1086 OE1 GLU A 65 -32.276 5.014 -7.552 1.00 12.21 O ATOM 1087 OE2 GLU A 65 -32.554 6.084 -9.452 1.00 32.24 O ATOM 0 H GLU A 65 -35.457 4.428 -5.723 1.00 1.11 H new ATOM 0 HA GLU A 65 -33.521 6.466 -6.254 1.00 42.42 H new ATOM 0 HB2 GLU A 65 -36.256 5.786 -7.393 1.00 44.21 H new ATOM 0 HB3 GLU A 65 -35.275 7.104 -8.001 1.00 44.21 H new ATOM 0 HG2 GLU A 65 -34.648 4.142 -8.063 1.00 21.54 H new ATOM 0 HG3 GLU A 65 -34.903 5.216 -9.425 1.00 21.54 H new ATOM 1094 N LEU A 66 -36.359 7.285 -4.805 1.00 63.22 N ATOM 1095 CA LEU A 66 -37.047 8.350 -4.085 1.00 2.45 C ATOM 1096 C LEU A 66 -36.132 8.979 -3.039 1.00 2.34 C ATOM 1097 O LEU A 66 -36.241 10.167 -2.738 1.00 15.53 O ATOM 1098 CB LEU A 66 -38.309 7.806 -3.413 1.00 52.54 C ATOM 1099 CG LEU A 66 -39.337 7.158 -4.342 1.00 24.12 C ATOM 1100 CD1 LEU A 66 -40.421 6.461 -3.534 1.00 43.04 C ATOM 1101 CD2 LEU A 66 -39.946 8.197 -5.271 1.00 52.15 C ATOM 0 H LEU A 66 -36.843 6.387 -4.792 1.00 63.22 H new ATOM 0 HA LEU A 66 -37.328 9.118 -4.805 1.00 2.45 H new ATOM 0 HB2 LEU A 66 -38.011 7.071 -2.665 1.00 52.54 H new ATOM 0 HB3 LEU A 66 -38.794 8.624 -2.880 1.00 52.54 H new ATOM 0 HG LEU A 66 -38.829 6.410 -4.951 1.00 24.12 H new ATOM 0 HD11 LEU A 66 -41.144 6.006 -4.211 1.00 43.04 H new ATOM 0 HD12 LEU A 66 -39.970 5.688 -2.911 1.00 43.04 H new ATOM 0 HD13 LEU A 66 -40.927 7.189 -2.900 1.00 43.04 H new ATOM 0 HD21 LEU A 66 -40.675 7.718 -5.925 1.00 52.15 H new ATOM 0 HD22 LEU A 66 -40.440 8.968 -4.680 1.00 52.15 H new ATOM 0 HD23 LEU A 66 -39.160 8.650 -5.875 1.00 52.15 H new ATOM 1113 N ALA A 67 -35.228 8.174 -2.490 1.00 10.33 N ATOM 1114 CA ALA A 67 -34.291 8.653 -1.481 1.00 31.11 C ATOM 1115 C ALA A 67 -33.132 9.408 -2.123 1.00 23.54 C ATOM 1116 O ALA A 67 -32.504 10.258 -1.490 1.00 60.40 O ATOM 1117 CB ALA A 67 -33.771 7.490 -0.650 1.00 24.52 C ATOM 0 H ALA A 67 -35.125 7.187 -2.727 1.00 10.33 H new ATOM 0 HA ALA A 67 -34.822 9.344 -0.826 1.00 31.11 H new ATOM 0 HB1 ALA A 67 -33.072 7.862 0.099 1.00 24.52 H new ATOM 0 HB2 ALA A 67 -34.606 6.995 -0.154 1.00 24.52 H new ATOM 0 HB3 ALA A 67 -33.261 6.778 -1.299 1.00 24.52 H new ATOM 1123 N THR A 68 -32.851 9.091 -3.383 1.00 41.30 N ATOM 1124 CA THR A 68 -31.766 9.738 -4.110 1.00 3.03 C ATOM 1125 C THR A 68 -32.216 11.070 -4.699 1.00 24.01 C ATOM 1126 O THR A 68 -31.492 12.064 -4.633 1.00 14.42 O ATOM 1127 CB THR A 68 -31.236 8.841 -5.244 1.00 70.40 C ATOM 1128 OG1 THR A 68 -30.742 7.609 -4.705 1.00 14.44 O ATOM 1129 CG2 THR A 68 -30.129 9.542 -6.017 1.00 21.34 C ATOM 0 H THR A 68 -33.360 8.390 -3.921 1.00 41.30 H new ATOM 0 HA THR A 68 -30.965 9.914 -3.392 1.00 3.03 H new ATOM 0 HB THR A 68 -32.059 8.634 -5.927 1.00 70.40 H new ATOM 0 HG1 THR A 68 -31.496 7.035 -4.456 1.00 14.44 H new ATOM 0 HG21 THR A 68 -29.771 8.889 -6.813 1.00 21.34 H new ATOM 0 HG22 THR A 68 -30.516 10.464 -6.451 1.00 21.34 H new ATOM 0 HG23 THR A 68 -29.306 9.776 -5.342 1.00 21.34 H new ATOM 1137 N ILE A 69 -33.413 11.083 -5.274 1.00 74.20 N ATOM 1138 CA ILE A 69 -33.960 12.294 -5.873 1.00 44.02 C ATOM 1139 C ILE A 69 -34.143 13.390 -4.828 1.00 61.45 C ATOM 1140 O ILE A 69 -33.912 14.568 -5.102 1.00 74.54 O ATOM 1141 CB ILE A 69 -35.312 12.023 -6.559 1.00 22.43 C ATOM 1142 CG1 ILE A 69 -35.873 13.314 -7.158 1.00 22.21 C ATOM 1143 CG2 ILE A 69 -36.297 11.420 -5.568 1.00 4.53 C ATOM 1144 CD1 ILE A 69 -37.115 13.102 -7.995 1.00 20.23 C ATOM 0 H ILE A 69 -34.023 10.268 -5.338 1.00 74.20 H new ATOM 0 HA ILE A 69 -33.242 12.626 -6.623 1.00 44.02 H new ATOM 0 HB ILE A 69 -35.156 11.308 -7.367 1.00 22.43 H new ATOM 0 HG12 ILE A 69 -36.103 14.009 -6.351 1.00 22.21 H new ATOM 0 HG13 ILE A 69 -35.105 13.783 -7.774 1.00 22.21 H new ATOM 0 HG21 ILE A 69 -37.248 11.234 -6.067 1.00 4.53 H new ATOM 0 HG22 ILE A 69 -35.899 10.481 -5.185 1.00 4.53 H new ATOM 0 HG23 ILE A 69 -36.451 12.113 -4.741 1.00 4.53 H new ATOM 0 HD11 ILE A 69 -37.457 14.060 -8.387 1.00 20.23 H new ATOM 0 HD12 ILE A 69 -36.886 12.432 -8.823 1.00 20.23 H new ATOM 0 HD13 ILE A 69 -37.899 12.662 -7.378 1.00 20.23 H new ATOM 1156 N ARG A 70 -34.557 12.993 -3.630 1.00 14.14 N ATOM 1157 CA ARG A 70 -34.771 13.941 -2.543 1.00 10.21 C ATOM 1158 C ARG A 70 -33.502 14.739 -2.260 1.00 45.22 C ATOM 1159 O ARG A 70 -33.558 15.839 -1.712 1.00 53.30 O ATOM 1160 CB ARG A 70 -35.217 13.207 -1.277 1.00 70.22 C ATOM 1161 CG ARG A 70 -34.084 12.500 -0.552 1.00 4.23 C ATOM 1162 CD ARG A 70 -33.655 13.265 0.691 1.00 42.34 C ATOM 1163 NE ARG A 70 -34.029 12.569 1.919 1.00 53.24 N ATOM 1164 CZ ARG A 70 -34.129 13.167 3.101 1.00 74.32 C ATOM 1165 NH1 ARG A 70 -33.885 14.465 3.214 1.00 64.10 N ATOM 1166 NH2 ARG A 70 -34.476 12.466 4.173 1.00 64.53 N ATOM 0 H ARG A 70 -34.751 12.022 -3.387 1.00 14.14 H new ATOM 0 HA ARG A 70 -35.555 14.634 -2.848 1.00 10.21 H new ATOM 0 HB2 ARG A 70 -35.682 13.922 -0.598 1.00 70.22 H new ATOM 0 HB3 ARG A 70 -35.980 12.475 -1.541 1.00 70.22 H new ATOM 0 HG2 ARG A 70 -34.401 11.496 -0.271 1.00 4.23 H new ATOM 0 HG3 ARG A 70 -33.233 12.389 -1.224 1.00 4.23 H new ATOM 0 HD2 ARG A 70 -32.575 13.411 0.672 1.00 42.34 H new ATOM 0 HD3 ARG A 70 -34.111 14.255 0.682 1.00 42.34 H new ATOM 0 HE ARG A 70 -34.224 11.569 1.866 1.00 53.24 H new ATOM 0 HH11 ARG A 70 -33.620 15.007 2.392 1.00 64.10 H new ATOM 0 HH12 ARG A 70 -33.963 14.921 4.123 1.00 64.10 H new ATOM 0 HH21 ARG A 70 -34.666 11.467 4.090 1.00 64.53 H new ATOM 0 HH22 ARG A 70 -34.553 12.926 5.080 1.00 64.53 H new ATOM 1180 N GLU A 71 -32.358 14.176 -2.638 1.00 51.00 N ATOM 1181 CA GLU A 71 -31.075 14.835 -2.423 1.00 52.15 C ATOM 1182 C GLU A 71 -31.086 16.248 -3.000 1.00 72.13 C ATOM 1183 O GLU A 71 -30.423 17.147 -2.482 1.00 42.45 O ATOM 1184 CB GLU A 71 -29.946 14.022 -3.059 1.00 71.43 C ATOM 1185 CG GLU A 71 -28.561 14.424 -2.580 1.00 35.10 C ATOM 1186 CD GLU A 71 -28.239 13.877 -1.203 1.00 12.22 C ATOM 1187 OE1 GLU A 71 -29.011 13.030 -0.706 1.00 1.10 O ATOM 1188 OE2 GLU A 71 -27.216 14.296 -0.622 1.00 13.10 O ATOM 0 H GLU A 71 -32.294 13.266 -3.094 1.00 51.00 H new ATOM 0 HA GLU A 71 -30.905 14.901 -1.348 1.00 52.15 H new ATOM 0 HB2 GLU A 71 -30.104 12.966 -2.842 1.00 71.43 H new ATOM 0 HB3 GLU A 71 -29.994 14.135 -4.142 1.00 71.43 H new ATOM 0 HG2 GLU A 71 -27.817 14.067 -3.292 1.00 35.10 H new ATOM 0 HG3 GLU A 71 -28.489 15.511 -2.561 1.00 35.10 H new ATOM 1195 N LEU A 72 -31.843 16.435 -4.076 1.00 13.54 N ATOM 1196 CA LEU A 72 -31.941 17.738 -4.725 1.00 12.35 C ATOM 1197 C LEU A 72 -32.331 18.819 -3.721 1.00 20.32 C ATOM 1198 O LEU A 72 -32.082 20.004 -3.941 1.00 43.12 O ATOM 1199 CB LEU A 72 -32.964 17.689 -5.861 1.00 34.45 C ATOM 1200 CG LEU A 72 -34.409 18.014 -5.478 1.00 5.51 C ATOM 1201 CD1 LEU A 72 -34.849 17.173 -4.290 1.00 42.20 C ATOM 1202 CD2 LEU A 72 -34.557 19.497 -5.168 1.00 25.00 C ATOM 0 H LEU A 72 -32.398 15.701 -4.517 1.00 13.54 H new ATOM 0 HA LEU A 72 -30.962 17.985 -5.136 1.00 12.35 H new ATOM 0 HB2 LEU A 72 -32.649 18.387 -6.637 1.00 34.45 H new ATOM 0 HB3 LEU A 72 -32.941 16.692 -6.301 1.00 34.45 H new ATOM 0 HG LEU A 72 -35.052 17.773 -6.325 1.00 5.51 H new ATOM 0 HD11 LEU A 72 -35.879 17.418 -4.032 1.00 42.20 H new ATOM 0 HD12 LEU A 72 -34.781 16.116 -4.547 1.00 42.20 H new ATOM 0 HD13 LEU A 72 -34.202 17.381 -3.438 1.00 42.20 H new ATOM 0 HD21 LEU A 72 -35.591 19.711 -4.897 1.00 25.00 H new ATOM 0 HD22 LEU A 72 -33.902 19.762 -4.338 1.00 25.00 H new ATOM 0 HD23 LEU A 72 -34.284 20.081 -6.047 1.00 25.00 H new ATOM 1214 N TYR A 73 -32.942 18.401 -2.618 1.00 4.15 N ATOM 1215 CA TYR A 73 -33.366 19.333 -1.580 1.00 0.05 C ATOM 1216 C TYR A 73 -32.186 19.751 -0.707 1.00 33.31 C ATOM 1217 O TYR A 73 -32.103 20.896 -0.261 1.00 32.22 O ATOM 1218 CB TYR A 73 -34.457 18.702 -0.713 1.00 72.32 C ATOM 1219 CG TYR A 73 -35.704 19.549 -0.597 1.00 72.15 C ATOM 1220 CD1 TYR A 73 -35.640 20.853 -0.124 1.00 54.51 C ATOM 1221 CD2 TYR A 73 -36.946 19.045 -0.963 1.00 34.42 C ATOM 1222 CE1 TYR A 73 -36.777 21.631 -0.016 1.00 74.41 C ATOM 1223 CE2 TYR A 73 -38.089 19.815 -0.860 1.00 24.05 C ATOM 1224 CZ TYR A 73 -37.999 21.107 -0.385 1.00 41.02 C ATOM 1225 OH TYR A 73 -39.134 21.878 -0.280 1.00 43.44 O ATOM 0 H TYR A 73 -33.155 17.423 -2.420 1.00 4.15 H new ATOM 0 HA TYR A 73 -33.767 20.222 -2.068 1.00 0.05 H new ATOM 0 HB2 TYR A 73 -34.725 17.731 -1.130 1.00 72.32 H new ATOM 0 HB3 TYR A 73 -34.057 18.521 0.285 1.00 72.32 H new ATOM 0 HD1 TYR A 73 -34.685 21.266 0.165 1.00 54.51 H new ATOM 0 HD2 TYR A 73 -37.019 18.034 -1.335 1.00 34.42 H new ATOM 0 HE1 TYR A 73 -36.710 22.643 0.355 1.00 74.41 H new ATOM 0 HE2 TYR A 73 -39.047 19.408 -1.150 1.00 24.05 H new ATOM 0 HH TYR A 73 -39.910 21.361 -0.581 1.00 43.44 H new ATOM 1235 N LEU A 74 -31.275 18.814 -0.468 1.00 11.00 N ATOM 1236 CA LEU A 74 -30.098 19.083 0.351 1.00 61.03 C ATOM 1237 C LEU A 74 -29.129 20.009 -0.377 1.00 2.42 C ATOM 1238 O LEU A 74 -28.610 20.963 0.204 1.00 62.11 O ATOM 1239 CB LEU A 74 -29.395 17.774 0.713 1.00 23.24 C ATOM 1240 CG LEU A 74 -30.081 16.915 1.776 1.00 55.10 C ATOM 1241 CD1 LEU A 74 -30.349 17.732 3.031 1.00 74.42 C ATOM 1242 CD2 LEU A 74 -31.376 16.329 1.233 1.00 72.54 C ATOM 0 H LEU A 74 -31.329 17.862 -0.829 1.00 11.00 H new ATOM 0 HA LEU A 74 -30.427 19.577 1.265 1.00 61.03 H new ATOM 0 HB2 LEU A 74 -29.290 17.179 -0.194 1.00 23.24 H new ATOM 0 HB3 LEU A 74 -28.388 18.009 1.059 1.00 23.24 H new ATOM 0 HG LEU A 74 -29.415 16.093 2.037 1.00 55.10 H new ATOM 0 HD11 LEU A 74 -30.838 17.104 3.776 1.00 74.42 H new ATOM 0 HD12 LEU A 74 -29.406 18.104 3.431 1.00 74.42 H new ATOM 0 HD13 LEU A 74 -30.996 18.574 2.786 1.00 74.42 H new ATOM 0 HD21 LEU A 74 -31.851 15.721 2.003 1.00 72.54 H new ATOM 0 HD22 LEU A 74 -32.048 17.137 0.943 1.00 72.54 H new ATOM 0 HD23 LEU A 74 -31.158 15.709 0.363 1.00 72.54 H new ATOM 1254 N LYS A 75 -28.891 19.724 -1.652 1.00 65.14 N ATOM 1255 CA LYS A 75 -27.987 20.533 -2.462 1.00 62.40 C ATOM 1256 C LYS A 75 -28.716 21.732 -3.058 1.00 13.53 C ATOM 1257 O LYS A 75 -28.093 22.717 -3.452 1.00 1.12 O ATOM 1258 CB LYS A 75 -27.376 19.686 -3.581 1.00 54.24 C ATOM 1259 CG LYS A 75 -26.877 18.330 -3.115 1.00 74.51 C ATOM 1260 CD LYS A 75 -26.274 17.533 -4.260 1.00 55.33 C ATOM 1261 CE LYS A 75 -27.352 16.959 -5.167 1.00 63.24 C ATOM 1262 NZ LYS A 75 -26.952 15.643 -5.739 1.00 1.02 N ATOM 0 H LYS A 75 -29.312 18.938 -2.148 1.00 65.14 H new ATOM 0 HA LYS A 75 -27.190 20.900 -1.815 1.00 62.40 H new ATOM 0 HB2 LYS A 75 -28.121 19.540 -4.363 1.00 54.24 H new ATOM 0 HB3 LYS A 75 -26.547 20.234 -4.029 1.00 54.24 H new ATOM 0 HG2 LYS A 75 -26.131 18.465 -2.332 1.00 74.51 H new ATOM 0 HG3 LYS A 75 -27.702 17.769 -2.675 1.00 74.51 H new ATOM 0 HD2 LYS A 75 -25.611 18.174 -4.841 1.00 55.33 H new ATOM 0 HD3 LYS A 75 -25.664 16.723 -3.860 1.00 55.33 H new ATOM 0 HE2 LYS A 75 -28.278 16.844 -4.603 1.00 63.24 H new ATOM 0 HE3 LYS A 75 -27.557 17.660 -5.976 1.00 63.24 H new ATOM 0 HZ1 LYS A 75 -27.713 15.285 -6.351 1.00 1.02 H new ATOM 0 HZ2 LYS A 75 -26.083 15.757 -6.298 1.00 1.02 H new ATOM 0 HZ3 LYS A 75 -26.781 14.967 -4.968 1.00 1.02 H new ATOM 1276 N GLY A 76 -30.042 21.643 -3.119 1.00 4.32 N ATOM 1277 CA GLY A 76 -30.834 22.729 -3.666 1.00 44.13 C ATOM 1278 C GLY A 76 -30.962 22.650 -5.175 1.00 31.34 C ATOM 1279 O GLY A 76 -31.353 23.620 -5.823 1.00 35.32 O ATOM 0 H GLY A 76 -30.581 20.838 -2.799 1.00 4.32 H new ATOM 0 HA2 GLY A 76 -31.828 22.711 -3.219 1.00 44.13 H new ATOM 0 HA3 GLY A 76 -30.378 23.681 -3.392 1.00 44.13 H new ATOM 1283 N ALA A 77 -30.630 21.491 -5.735 1.00 11.20 N ATOM 1284 CA ALA A 77 -30.711 21.289 -7.176 1.00 62.02 C ATOM 1285 C ALA A 77 -32.109 21.603 -7.697 1.00 71.13 C ATOM 1286 O ALA A 77 -33.045 21.794 -6.920 1.00 2.32 O ATOM 1287 CB ALA A 77 -30.321 19.862 -7.531 1.00 72.35 C ATOM 0 H ALA A 77 -30.303 20.678 -5.213 1.00 11.20 H new ATOM 0 HA ALA A 77 -30.012 21.975 -7.654 1.00 62.02 H new ATOM 0 HB1 ALA A 77 -30.386 19.725 -8.610 1.00 72.35 H new ATOM 0 HB2 ALA A 77 -29.300 19.671 -7.202 1.00 72.35 H new ATOM 0 HB3 ALA A 77 -30.998 19.166 -7.036 1.00 72.35 H new ATOM 1293 N THR A 78 -32.245 21.655 -9.019 1.00 14.43 N ATOM 1294 CA THR A 78 -33.529 21.948 -9.644 1.00 10.23 C ATOM 1295 C THR A 78 -34.058 20.739 -10.406 1.00 31.43 C ATOM 1296 O THR A 78 -33.393 19.706 -10.491 1.00 10.13 O ATOM 1297 CB THR A 78 -33.424 23.143 -10.610 1.00 10.54 C ATOM 1298 OG1 THR A 78 -32.504 22.841 -11.665 1.00 13.44 O ATOM 1299 CG2 THR A 78 -32.967 24.395 -9.875 1.00 34.44 C ATOM 0 H THR A 78 -31.482 21.498 -9.677 1.00 14.43 H new ATOM 0 HA THR A 78 -34.221 22.199 -8.840 1.00 10.23 H new ATOM 0 HB THR A 78 -34.412 23.328 -11.032 1.00 10.54 H new ATOM 0 HG1 THR A 78 -32.444 23.605 -12.276 1.00 13.44 H new ATOM 0 HG21 THR A 78 -32.900 25.226 -10.578 1.00 34.44 H new ATOM 0 HG22 THR A 78 -33.684 24.639 -9.092 1.00 34.44 H new ATOM 0 HG23 THR A 78 -31.989 24.218 -9.428 1.00 34.44 H new ATOM 1307 N VAL A 79 -35.259 20.873 -10.960 1.00 30.24 N ATOM 1308 CA VAL A 79 -35.877 19.791 -11.717 1.00 20.12 C ATOM 1309 C VAL A 79 -34.950 19.294 -12.821 1.00 33.55 C ATOM 1310 O VAL A 79 -34.988 18.121 -13.196 1.00 4.44 O ATOM 1311 CB VAL A 79 -37.212 20.236 -12.344 1.00 24.41 C ATOM 1312 CG1 VAL A 79 -37.909 19.058 -13.007 1.00 30.41 C ATOM 1313 CG2 VAL A 79 -38.107 20.873 -11.293 1.00 14.24 C ATOM 0 H VAL A 79 -35.823 21.720 -10.899 1.00 30.24 H new ATOM 0 HA VAL A 79 -36.067 18.980 -11.014 1.00 20.12 H new ATOM 0 HB VAL A 79 -37.003 20.982 -13.111 1.00 24.41 H new ATOM 0 HG11 VAL A 79 -38.850 19.391 -13.444 1.00 30.41 H new ATOM 0 HG12 VAL A 79 -37.269 18.650 -13.790 1.00 30.41 H new ATOM 0 HG13 VAL A 79 -38.108 18.287 -12.263 1.00 30.41 H new ATOM 0 HG21 VAL A 79 -39.046 21.182 -11.753 1.00 14.24 H new ATOM 0 HG22 VAL A 79 -38.311 20.151 -10.502 1.00 14.24 H new ATOM 0 HG23 VAL A 79 -37.607 21.744 -10.869 1.00 14.24 H new ATOM 1323 N TYR A 80 -34.119 20.192 -13.337 1.00 30.23 N ATOM 1324 CA TYR A 80 -33.183 19.845 -14.399 1.00 40.05 C ATOM 1325 C TYR A 80 -32.053 18.970 -13.866 1.00 61.20 C ATOM 1326 O TYR A 80 -31.539 18.103 -14.572 1.00 44.54 O ATOM 1327 CB TYR A 80 -32.606 21.112 -15.033 1.00 51.02 C ATOM 1328 CG TYR A 80 -31.683 20.840 -16.199 1.00 61.52 C ATOM 1329 CD1 TYR A 80 -32.190 20.535 -17.456 1.00 52.53 C ATOM 1330 CD2 TYR A 80 -30.303 20.887 -16.044 1.00 1.23 C ATOM 1331 CE1 TYR A 80 -31.350 20.285 -18.524 1.00 53.11 C ATOM 1332 CE2 TYR A 80 -29.455 20.640 -17.106 1.00 73.32 C ATOM 1333 CZ TYR A 80 -29.984 20.339 -18.344 1.00 62.42 C ATOM 1334 OH TYR A 80 -29.144 20.091 -19.406 1.00 2.23 O ATOM 0 H TYR A 80 -34.074 21.166 -13.037 1.00 30.23 H new ATOM 0 HA TYR A 80 -33.727 19.282 -15.157 1.00 40.05 H new ATOM 0 HB2 TYR A 80 -33.427 21.745 -15.370 1.00 51.02 H new ATOM 0 HB3 TYR A 80 -32.062 21.673 -14.273 1.00 51.02 H new ATOM 0 HD1 TYR A 80 -33.259 20.493 -17.601 1.00 52.53 H new ATOM 0 HD2 TYR A 80 -29.886 21.121 -15.076 1.00 1.23 H new ATOM 0 HE1 TYR A 80 -31.761 20.049 -19.494 1.00 53.11 H new ATOM 0 HE2 TYR A 80 -28.385 20.682 -16.968 1.00 73.32 H new ATOM 0 HH TYR A 80 -28.213 20.170 -19.112 1.00 2.23 H new ATOM 1344 N GLU A 81 -31.673 19.204 -12.614 1.00 21.52 N ATOM 1345 CA GLU A 81 -30.604 18.437 -11.985 1.00 23.11 C ATOM 1346 C GLU A 81 -31.023 16.984 -11.782 1.00 31.22 C ATOM 1347 O GLU A 81 -30.353 16.062 -12.249 1.00 2.33 O ATOM 1348 CB GLU A 81 -30.220 19.061 -10.642 1.00 15.15 C ATOM 1349 CG GLU A 81 -29.268 20.239 -10.767 1.00 75.40 C ATOM 1350 CD GLU A 81 -27.813 19.814 -10.773 1.00 22.02 C ATOM 1351 OE1 GLU A 81 -27.466 18.899 -11.549 1.00 5.20 O ATOM 1352 OE2 GLU A 81 -27.021 20.396 -10.002 1.00 34.42 O ATOM 0 H GLU A 81 -32.089 19.918 -12.016 1.00 21.52 H new ATOM 0 HA GLU A 81 -29.739 18.458 -12.648 1.00 23.11 H new ATOM 0 HB2 GLU A 81 -31.125 19.389 -10.132 1.00 15.15 H new ATOM 0 HB3 GLU A 81 -29.759 18.298 -10.015 1.00 15.15 H new ATOM 0 HG2 GLU A 81 -29.488 20.783 -11.686 1.00 75.40 H new ATOM 0 HG3 GLU A 81 -29.438 20.928 -9.940 1.00 75.40 H new ATOM 1359 N ILE A 82 -32.135 16.788 -11.082 1.00 75.41 N ATOM 1360 CA ILE A 82 -32.645 15.448 -10.818 1.00 24.44 C ATOM 1361 C ILE A 82 -32.815 14.659 -12.111 1.00 61.24 C ATOM 1362 O ILE A 82 -32.671 13.437 -12.129 1.00 34.22 O ATOM 1363 CB ILE A 82 -33.994 15.494 -10.077 1.00 1.25 C ATOM 1364 CG1 ILE A 82 -34.984 16.386 -10.829 1.00 65.34 C ATOM 1365 CG2 ILE A 82 -33.799 15.994 -8.653 1.00 13.21 C ATOM 1366 CD1 ILE A 82 -36.344 16.467 -10.173 1.00 2.42 C ATOM 0 H ILE A 82 -32.700 17.540 -10.687 1.00 75.41 H new ATOM 0 HA ILE A 82 -31.909 14.951 -10.186 1.00 24.44 H new ATOM 0 HB ILE A 82 -34.403 14.485 -10.035 1.00 1.25 H new ATOM 0 HG12 ILE A 82 -34.568 17.390 -10.908 1.00 65.34 H new ATOM 0 HG13 ILE A 82 -35.102 16.008 -11.845 1.00 65.34 H new ATOM 0 HG21 ILE A 82 -34.761 16.021 -8.142 1.00 13.21 H new ATOM 0 HG22 ILE A 82 -33.124 15.323 -8.121 1.00 13.21 H new ATOM 0 HG23 ILE A 82 -33.371 16.996 -8.675 1.00 13.21 H new ATOM 0 HD11 ILE A 82 -36.993 17.116 -10.761 1.00 2.42 H new ATOM 0 HD12 ILE A 82 -36.781 15.470 -10.118 1.00 2.42 H new ATOM 0 HD13 ILE A 82 -36.239 16.873 -9.167 1.00 2.42 H new ATOM 1378 N ALA A 83 -33.120 15.367 -13.194 1.00 33.02 N ATOM 1379 CA ALA A 83 -33.306 14.734 -14.494 1.00 32.25 C ATOM 1380 C ALA A 83 -32.050 13.985 -14.924 1.00 63.11 C ATOM 1381 O ALA A 83 -32.116 12.825 -15.332 1.00 50.33 O ATOM 1382 CB ALA A 83 -33.687 15.773 -15.537 1.00 52.33 C ATOM 0 H ALA A 83 -33.243 16.379 -13.197 1.00 33.02 H new ATOM 0 HA ALA A 83 -34.116 14.010 -14.406 1.00 32.25 H new ATOM 0 HB1 ALA A 83 -33.823 15.286 -16.503 1.00 52.33 H new ATOM 0 HB2 ALA A 83 -34.616 16.260 -15.242 1.00 52.33 H new ATOM 0 HB3 ALA A 83 -32.895 16.518 -15.614 1.00 52.33 H new ATOM 1388 N ARG A 84 -30.906 14.655 -14.831 1.00 42.11 N ATOM 1389 CA ARG A 84 -29.634 14.053 -15.213 1.00 72.11 C ATOM 1390 C ARG A 84 -29.197 13.010 -14.189 1.00 32.32 C ATOM 1391 O ARG A 84 -28.556 12.018 -14.535 1.00 21.13 O ATOM 1392 CB ARG A 84 -28.557 15.130 -15.352 1.00 23.15 C ATOM 1393 CG ARG A 84 -28.334 15.589 -16.783 1.00 74.45 C ATOM 1394 CD ARG A 84 -27.652 16.947 -16.834 1.00 32.31 C ATOM 1395 NE ARG A 84 -26.197 16.829 -16.828 1.00 24.41 N ATOM 1396 CZ ARG A 84 -25.380 17.819 -16.485 1.00 33.22 C ATOM 1397 NH1 ARG A 84 -25.875 18.994 -16.121 1.00 44.13 N ATOM 1398 NH2 ARG A 84 -24.066 17.634 -16.504 1.00 54.24 N ATOM 0 H ARG A 84 -30.834 15.615 -14.494 1.00 42.11 H new ATOM 0 HA ARG A 84 -29.769 13.558 -16.175 1.00 72.11 H new ATOM 0 HB2 ARG A 84 -28.835 15.990 -14.743 1.00 23.15 H new ATOM 0 HB3 ARG A 84 -27.618 14.746 -14.952 1.00 23.15 H new ATOM 0 HG2 ARG A 84 -27.725 14.855 -17.311 1.00 74.45 H new ATOM 0 HG3 ARG A 84 -29.291 15.642 -17.302 1.00 74.45 H new ATOM 0 HD2 ARG A 84 -27.969 17.478 -17.731 1.00 32.31 H new ATOM 0 HD3 ARG A 84 -27.971 17.545 -15.980 1.00 32.31 H new ATOM 0 HE ARG A 84 -25.785 15.937 -17.102 1.00 24.41 H new ATOM 0 HH11 ARG A 84 -26.885 19.139 -16.104 1.00 44.13 H new ATOM 0 HH12 ARG A 84 -25.246 19.753 -15.858 1.00 44.13 H new ATOM 0 HH21 ARG A 84 -23.682 16.731 -16.782 1.00 54.24 H new ATOM 0 HH22 ARG A 84 -23.440 18.395 -16.240 1.00 54.24 H new ATOM 1412 N GLN A 85 -29.549 13.242 -12.928 1.00 44.13 N ATOM 1413 CA GLN A 85 -29.191 12.323 -11.854 1.00 73.13 C ATOM 1414 C GLN A 85 -29.916 10.991 -12.014 1.00 72.32 C ATOM 1415 O GLN A 85 -29.288 9.933 -12.070 1.00 21.31 O ATOM 1416 CB GLN A 85 -29.526 12.939 -10.495 1.00 2.03 C ATOM 1417 CG GLN A 85 -29.095 12.081 -9.316 1.00 14.43 C ATOM 1418 CD GLN A 85 -27.630 11.699 -9.376 1.00 44.51 C ATOM 1419 OE1 GLN A 85 -27.270 10.655 -9.920 1.00 34.55 O ATOM 1420 NE2 GLN A 85 -26.773 12.546 -8.817 1.00 53.50 N ATOM 0 H GLN A 85 -30.081 14.058 -12.626 1.00 44.13 H new ATOM 0 HA GLN A 85 -28.118 12.141 -11.908 1.00 73.13 H new ATOM 0 HB2 GLN A 85 -29.045 13.914 -10.419 1.00 2.03 H new ATOM 0 HB3 GLN A 85 -30.601 13.108 -10.437 1.00 2.03 H new ATOM 0 HG2 GLN A 85 -29.288 12.621 -8.389 1.00 14.43 H new ATOM 0 HG3 GLN A 85 -29.702 11.176 -9.290 1.00 14.43 H new ATOM 0 HE21 GLN A 85 -27.114 13.400 -8.377 1.00 53.50 H new ATOM 0 HE22 GLN A 85 -25.774 12.342 -8.828 1.00 53.50 H new ATOM 1429 N LEU A 86 -31.241 11.049 -12.087 1.00 53.02 N ATOM 1430 CA LEU A 86 -32.053 9.846 -12.241 1.00 2.54 C ATOM 1431 C LEU A 86 -31.863 9.234 -13.625 1.00 11.42 C ATOM 1432 O LEU A 86 -32.180 8.067 -13.847 1.00 70.32 O ATOM 1433 CB LEU A 86 -33.530 10.172 -12.012 1.00 60.33 C ATOM 1434 CG LEU A 86 -34.016 10.104 -10.564 1.00 71.01 C ATOM 1435 CD1 LEU A 86 -33.811 8.708 -9.997 1.00 20.11 C ATOM 1436 CD2 LEU A 86 -33.297 11.139 -9.711 1.00 52.13 C ATOM 0 H LEU A 86 -31.776 11.916 -12.042 1.00 53.02 H new ATOM 0 HA LEU A 86 -31.728 9.120 -11.496 1.00 2.54 H new ATOM 0 HB2 LEU A 86 -33.723 11.175 -12.392 1.00 60.33 H new ATOM 0 HB3 LEU A 86 -34.130 9.484 -12.608 1.00 60.33 H new ATOM 0 HG LEU A 86 -35.083 10.327 -10.548 1.00 71.01 H new ATOM 0 HD11 LEU A 86 -34.163 8.679 -8.966 1.00 20.11 H new ATOM 0 HD12 LEU A 86 -34.372 7.988 -10.592 1.00 20.11 H new ATOM 0 HD13 LEU A 86 -32.751 8.456 -10.026 1.00 20.11 H new ATOM 0 HD21 LEU A 86 -33.655 11.076 -8.684 1.00 52.13 H new ATOM 0 HD22 LEU A 86 -32.224 10.947 -9.733 1.00 52.13 H new ATOM 0 HD23 LEU A 86 -33.496 12.136 -10.104 1.00 52.13 H new ATOM 1448 N GLY A 87 -31.342 10.032 -14.553 1.00 24.45 N ATOM 1449 CA GLY A 87 -31.116 9.550 -15.903 1.00 14.11 C ATOM 1450 C GLY A 87 -32.371 9.597 -16.752 1.00 13.11 C ATOM 1451 O GLY A 87 -32.575 8.747 -17.618 1.00 63.45 O ATOM 0 H GLY A 87 -31.073 11.003 -14.394 1.00 24.45 H new ATOM 0 HA2 GLY A 87 -30.339 10.151 -16.375 1.00 14.11 H new ATOM 0 HA3 GLY A 87 -30.746 8.525 -15.863 1.00 14.11 H new ATOM 1455 N ARG A 88 -33.216 10.592 -16.502 1.00 42.53 N ATOM 1456 CA ARG A 88 -34.459 10.745 -17.249 1.00 1.04 C ATOM 1457 C ARG A 88 -34.544 12.129 -17.886 1.00 60.21 C ATOM 1458 O ARG A 88 -33.958 13.098 -17.404 1.00 13.51 O ATOM 1459 CB ARG A 88 -35.661 10.520 -16.330 1.00 12.33 C ATOM 1460 CG ARG A 88 -35.586 9.228 -15.533 1.00 4.32 C ATOM 1461 CD ARG A 88 -35.857 8.016 -16.410 1.00 12.12 C ATOM 1462 NE ARG A 88 -34.842 6.980 -16.242 1.00 5.22 N ATOM 1463 CZ ARG A 88 -34.825 5.848 -16.936 1.00 45.04 C ATOM 1464 NH1 ARG A 88 -35.763 5.608 -17.842 1.00 20.45 N ATOM 1465 NH2 ARG A 88 -33.867 4.954 -16.726 1.00 61.25 N ATOM 0 H ARG A 88 -33.063 11.304 -15.788 1.00 42.53 H new ATOM 0 HA ARG A 88 -34.471 9.998 -18.043 1.00 1.04 H new ATOM 0 HB2 ARG A 88 -35.741 11.359 -15.639 1.00 12.33 H new ATOM 0 HB3 ARG A 88 -36.571 10.514 -16.931 1.00 12.33 H new ATOM 0 HG2 ARG A 88 -34.600 9.136 -15.079 1.00 4.32 H new ATOM 0 HG3 ARG A 88 -36.310 9.259 -14.719 1.00 4.32 H new ATOM 0 HD2 ARG A 88 -36.837 7.605 -16.168 1.00 12.12 H new ATOM 0 HD3 ARG A 88 -35.890 8.325 -17.455 1.00 12.12 H new ATOM 0 HE ARG A 88 -34.105 7.134 -15.554 1.00 5.22 H new ATOM 0 HH11 ARG A 88 -36.500 6.294 -18.007 1.00 20.45 H new ATOM 0 HH12 ARG A 88 -35.748 4.738 -18.374 1.00 20.45 H new ATOM 0 HH21 ARG A 88 -33.143 5.136 -16.031 1.00 61.25 H new ATOM 0 HH22 ARG A 88 -33.855 4.085 -17.260 1.00 61.25 H new ATOM 1479 N PRO A 89 -35.290 12.224 -18.997 1.00 11.14 N ATOM 1480 CA PRO A 89 -35.469 13.484 -19.724 1.00 55.10 C ATOM 1481 C PRO A 89 -36.320 14.485 -18.949 1.00 62.20 C ATOM 1482 O PRO A 89 -35.929 15.638 -18.771 1.00 61.13 O ATOM 1483 CB PRO A 89 -36.186 13.054 -21.007 1.00 4.22 C ATOM 1484 CG PRO A 89 -36.890 11.793 -20.643 1.00 64.31 C ATOM 1485 CD PRO A 89 -36.016 11.109 -19.627 1.00 54.24 C ATOM 0 HA PRO A 89 -34.521 13.992 -19.898 1.00 55.10 H new ATOM 0 HB2 PRO A 89 -36.888 13.817 -21.343 1.00 4.22 H new ATOM 0 HB3 PRO A 89 -35.479 12.892 -21.820 1.00 4.22 H new ATOM 0 HG2 PRO A 89 -37.877 12.002 -20.231 1.00 64.31 H new ATOM 0 HG3 PRO A 89 -37.038 11.162 -21.519 1.00 64.31 H new ATOM 0 HD2 PRO A 89 -36.606 10.551 -18.900 1.00 54.24 H new ATOM 0 HD3 PRO A 89 -35.334 10.399 -20.096 1.00 54.24 H new ATOM 1493 N GLU A 90 -37.484 14.035 -18.490 1.00 4.31 N ATOM 1494 CA GLU A 90 -38.389 14.893 -17.734 1.00 44.31 C ATOM 1495 C GLU A 90 -39.684 14.159 -17.402 1.00 31.44 C ATOM 1496 O GLU A 90 -40.210 14.275 -16.295 1.00 3.04 O ATOM 1497 CB GLU A 90 -38.700 16.166 -18.524 1.00 64.04 C ATOM 1498 CG GLU A 90 -38.293 17.442 -17.807 1.00 50.44 C ATOM 1499 CD GLU A 90 -37.920 18.557 -18.766 1.00 32.40 C ATOM 1500 OE1 GLU A 90 -38.746 18.883 -19.645 1.00 5.34 O ATOM 1501 OE2 GLU A 90 -36.804 19.102 -18.638 1.00 71.50 O ATOM 0 H GLU A 90 -37.822 13.083 -18.628 1.00 4.31 H new ATOM 0 HA GLU A 90 -37.896 15.165 -16.801 1.00 44.31 H new ATOM 0 HB2 GLU A 90 -38.189 16.121 -19.486 1.00 64.04 H new ATOM 0 HB3 GLU A 90 -39.769 16.202 -18.733 1.00 64.04 H new ATOM 0 HG2 GLU A 90 -39.113 17.774 -17.171 1.00 50.44 H new ATOM 0 HG3 GLU A 90 -37.447 17.232 -17.153 1.00 50.44 H new ATOM 1508 N SER A 91 -40.193 13.402 -18.369 1.00 15.23 N ATOM 1509 CA SER A 91 -41.430 12.652 -18.181 1.00 64.32 C ATOM 1510 C SER A 91 -41.377 11.830 -16.897 1.00 64.30 C ATOM 1511 O SER A 91 -42.257 11.933 -16.042 1.00 71.02 O ATOM 1512 CB SER A 91 -41.680 11.733 -19.378 1.00 64.35 C ATOM 1513 OG SER A 91 -41.442 12.410 -20.600 1.00 41.51 O ATOM 0 H SER A 91 -39.768 13.292 -19.290 1.00 15.23 H new ATOM 0 HA SER A 91 -42.250 13.365 -18.101 1.00 64.32 H new ATOM 0 HB2 SER A 91 -41.032 10.859 -19.311 1.00 64.35 H new ATOM 0 HB3 SER A 91 -42.708 11.371 -19.354 1.00 64.35 H new ATOM 0 HG SER A 91 -41.607 11.800 -21.349 1.00 41.51 H new ATOM 1519 N THR A 92 -40.336 11.012 -16.768 1.00 34.23 N ATOM 1520 CA THR A 92 -40.167 10.171 -15.590 1.00 34.43 C ATOM 1521 C THR A 92 -40.196 11.001 -14.312 1.00 40.50 C ATOM 1522 O THR A 92 -40.923 10.684 -13.370 1.00 64.31 O ATOM 1523 CB THR A 92 -38.845 9.383 -15.647 1.00 21.11 C ATOM 1524 OG1 THR A 92 -38.629 8.883 -16.971 1.00 53.14 O ATOM 1525 CG2 THR A 92 -38.861 8.226 -14.659 1.00 41.12 C ATOM 0 H THR A 92 -39.598 10.915 -17.465 1.00 34.23 H new ATOM 0 HA THR A 92 -41.000 9.468 -15.582 1.00 34.43 H new ATOM 0 HB THR A 92 -38.033 10.059 -15.377 1.00 21.11 H new ATOM 0 HG1 THR A 92 -38.886 7.938 -17.010 1.00 53.14 H new ATOM 0 HG21 THR A 92 -37.917 7.684 -14.718 1.00 41.12 H new ATOM 0 HG22 THR A 92 -38.996 8.612 -13.649 1.00 41.12 H new ATOM 0 HG23 THR A 92 -39.682 7.551 -14.902 1.00 41.12 H new ATOM 1533 N ILE A 93 -39.402 12.067 -14.287 1.00 31.43 N ATOM 1534 CA ILE A 93 -39.339 12.944 -13.124 1.00 64.14 C ATOM 1535 C ILE A 93 -40.732 13.394 -12.698 1.00 60.34 C ATOM 1536 O ILE A 93 -41.056 13.404 -11.511 1.00 35.43 O ATOM 1537 CB ILE A 93 -38.473 14.187 -13.404 1.00 32.11 C ATOM 1538 CG1 ILE A 93 -37.056 13.770 -13.801 1.00 62.41 C ATOM 1539 CG2 ILE A 93 -38.441 15.095 -12.184 1.00 15.41 C ATOM 1540 CD1 ILE A 93 -36.321 13.015 -12.715 1.00 75.33 C ATOM 0 H ILE A 93 -38.794 12.344 -15.058 1.00 31.43 H new ATOM 0 HA ILE A 93 -38.885 12.368 -12.318 1.00 64.14 H new ATOM 0 HB ILE A 93 -38.914 14.740 -14.233 1.00 32.11 H new ATOM 0 HG12 ILE A 93 -37.106 13.148 -14.695 1.00 62.41 H new ATOM 0 HG13 ILE A 93 -36.484 14.660 -14.064 1.00 62.41 H new ATOM 0 HG21 ILE A 93 -37.825 15.969 -12.397 1.00 15.41 H new ATOM 0 HG22 ILE A 93 -39.454 15.415 -11.942 1.00 15.41 H new ATOM 0 HG23 ILE A 93 -38.020 14.552 -11.337 1.00 15.41 H new ATOM 0 HD11 ILE A 93 -35.323 12.751 -13.066 1.00 75.33 H new ATOM 0 HD12 ILE A 93 -36.239 13.642 -11.827 1.00 75.33 H new ATOM 0 HD13 ILE A 93 -36.870 12.107 -12.468 1.00 75.33 H new ATOM 1552 N TYR A 94 -41.552 13.764 -13.675 1.00 74.23 N ATOM 1553 CA TYR A 94 -42.912 14.215 -13.402 1.00 4.31 C ATOM 1554 C TYR A 94 -43.728 13.112 -12.735 1.00 54.45 C ATOM 1555 O TYR A 94 -44.552 13.377 -11.859 1.00 5.21 O ATOM 1556 CB TYR A 94 -43.594 14.659 -14.697 1.00 11.11 C ATOM 1557 CG TYR A 94 -43.587 16.157 -14.903 1.00 21.04 C ATOM 1558 CD1 TYR A 94 -44.570 16.960 -14.339 1.00 12.40 C ATOM 1559 CD2 TYR A 94 -42.596 16.769 -15.660 1.00 64.12 C ATOM 1560 CE1 TYR A 94 -44.568 18.329 -14.525 1.00 42.21 C ATOM 1561 CE2 TYR A 94 -42.584 18.137 -15.850 1.00 54.34 C ATOM 1562 CZ TYR A 94 -43.573 18.913 -15.281 1.00 62.13 C ATOM 1563 OH TYR A 94 -43.566 20.276 -15.468 1.00 10.31 O ATOM 0 H TYR A 94 -41.299 13.761 -14.663 1.00 74.23 H new ATOM 0 HA TYR A 94 -42.857 15.063 -12.720 1.00 4.31 H new ATOM 0 HB2 TYR A 94 -43.096 14.182 -15.542 1.00 11.11 H new ATOM 0 HB3 TYR A 94 -44.625 14.306 -14.694 1.00 11.11 H new ATOM 0 HD1 TYR A 94 -45.349 16.506 -13.745 1.00 12.40 H new ATOM 0 HD2 TYR A 94 -41.821 16.164 -16.108 1.00 64.12 H new ATOM 0 HE1 TYR A 94 -45.341 18.938 -14.081 1.00 42.21 H new ATOM 0 HE2 TYR A 94 -41.805 18.597 -16.440 1.00 54.34 H new ATOM 0 HH TYR A 94 -42.798 20.526 -16.023 1.00 10.31 H new