USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 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 Set 1.1: A 28 SER OG : rot -23:sc= 0.911 USER MOD Set 1.2: A 30 ASN : amide:sc= -0.19 K(o=0.72,f=-1!) 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+ 158:sc= -0.052 (180deg=-0.449) 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 29 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -138:sc= 0 (180deg=-0.0219) 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+ -138:sc= 0.433 (180deg=-2.98!) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 11:sc= -0.79 USER MOD Single : A 68 THR OG1 : rot 73:sc= 0.908 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= -0.179 X(o=-0.18,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -130:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.275 3.690 -3.729 1.00 52.10 N ATOM 178 CA LYS A 13 -0.678 4.252 -5.013 1.00 75.31 C ATOM 179 C LYS A 13 -1.017 3.147 -6.008 1.00 33.22 C ATOM 180 O LYS A 13 -1.863 3.326 -6.886 1.00 34.12 O ATOM 181 CB LYS A 13 0.435 5.137 -5.577 1.00 40.03 C ATOM 182 CG LYS A 13 -0.024 6.542 -5.928 1.00 71.11 C ATOM 183 CD LYS A 13 1.142 7.516 -5.967 1.00 53.34 C ATOM 184 CE LYS A 13 0.930 8.597 -7.016 1.00 70.21 C ATOM 185 NZ LYS A 13 2.193 9.321 -7.329 1.00 0.22 N ATOM 0 HA LYS A 13 -1.570 4.858 -4.853 1.00 75.31 H new ATOM 0 HB2 LYS A 13 1.243 5.199 -4.848 1.00 40.03 H new ATOM 0 HB3 LYS A 13 0.846 4.665 -6.469 1.00 40.03 H new ATOM 0 HG2 LYS A 13 -0.523 6.531 -6.897 1.00 71.11 H new ATOM 0 HG3 LYS A 13 -0.757 6.880 -5.196 1.00 71.11 H new ATOM 0 HD2 LYS A 13 1.265 7.977 -4.987 1.00 53.34 H new ATOM 0 HD3 LYS A 13 2.063 6.974 -6.182 1.00 53.34 H new ATOM 0 HE2 LYS A 13 0.534 8.147 -7.926 1.00 70.21 H new ATOM 0 HE3 LYS A 13 0.183 9.307 -6.660 1.00 70.21 H new ATOM 0 HZ1 LYS A 13 2.007 10.049 -8.048 1.00 0.22 H new ATOM 0 HZ2 LYS A 13 2.558 9.772 -6.466 1.00 0.22 H new ATOM 0 HZ3 LYS A 13 2.898 8.648 -7.692 1.00 0.22 H new ATOM 199 N LEU A 14 -0.355 2.004 -5.864 1.00 53.03 N ATOM 200 CA LEU A 14 -0.587 0.869 -6.750 1.00 34.32 C ATOM 201 C LEU A 14 -1.933 0.214 -6.453 1.00 20.15 C ATOM 202 O LEU A 14 -2.720 -0.050 -7.362 1.00 31.33 O ATOM 203 CB LEU A 14 0.537 -0.158 -6.601 1.00 60.01 C ATOM 204 CG LEU A 14 1.800 0.109 -7.420 1.00 24.42 C ATOM 205 CD1 LEU A 14 1.471 0.175 -8.904 1.00 2.43 C ATOM 206 CD2 LEU A 14 2.472 1.395 -6.962 1.00 34.10 C ATOM 0 H LEU A 14 0.347 1.839 -5.142 1.00 53.03 H new ATOM 0 HA LEU A 14 -0.600 1.237 -7.776 1.00 34.32 H new ATOM 0 HB2 LEU A 14 0.815 -0.213 -5.548 1.00 60.01 H new ATOM 0 HB3 LEU A 14 0.147 -1.137 -6.879 1.00 60.01 H new ATOM 0 HG LEU A 14 2.494 -0.716 -7.260 1.00 24.42 H new ATOM 0 HD11 LEU A 14 2.382 0.366 -9.471 1.00 2.43 H new ATOM 0 HD12 LEU A 14 1.037 -0.773 -9.223 1.00 2.43 H new ATOM 0 HD13 LEU A 14 0.757 0.979 -9.083 1.00 2.43 H new ATOM 0 HD21 LEU A 14 3.369 1.568 -7.556 1.00 34.10 H new ATOM 0 HD22 LEU A 14 1.784 2.231 -7.091 1.00 34.10 H new ATOM 0 HD23 LEU A 14 2.745 1.308 -5.910 1.00 34.10 H new ATOM 218 N TYR A 15 -2.189 -0.044 -5.176 1.00 20.54 N ATOM 219 CA TYR A 15 -3.439 -0.669 -4.758 1.00 63.51 C ATOM 220 C TYR A 15 -4.641 0.122 -5.266 1.00 1.52 C ATOM 221 O TYR A 15 -5.507 -0.414 -5.957 1.00 4.21 O ATOM 222 CB TYR A 15 -3.495 -0.781 -3.234 1.00 42.13 C ATOM 223 CG TYR A 15 -4.787 -1.369 -2.716 1.00 34.01 C ATOM 224 CD1 TYR A 15 -4.958 -2.744 -2.618 1.00 44.05 C ATOM 225 CD2 TYR A 15 -5.839 -0.550 -2.325 1.00 73.13 C ATOM 226 CE1 TYR A 15 -6.137 -3.287 -2.146 1.00 55.32 C ATOM 227 CE2 TYR A 15 -7.022 -1.082 -1.852 1.00 34.44 C ATOM 228 CZ TYR A 15 -7.166 -2.452 -1.764 1.00 11.44 C ATOM 229 OH TYR A 15 -8.344 -2.987 -1.292 1.00 43.02 O ATOM 0 H TYR A 15 -1.548 0.170 -4.412 1.00 20.54 H new ATOM 0 HA TYR A 15 -3.476 -1.669 -5.190 1.00 63.51 H new ATOM 0 HB2 TYR A 15 -2.663 -1.397 -2.893 1.00 42.13 H new ATOM 0 HB3 TYR A 15 -3.357 0.209 -2.800 1.00 42.13 H new ATOM 0 HD1 TYR A 15 -4.154 -3.401 -2.916 1.00 44.05 H new ATOM 0 HD2 TYR A 15 -5.729 0.522 -2.392 1.00 73.13 H new ATOM 0 HE1 TYR A 15 -6.252 -4.359 -2.077 1.00 55.32 H new ATOM 0 HE2 TYR A 15 -7.830 -0.430 -1.553 1.00 34.44 H new ATOM 0 HH TYR A 15 -8.964 -2.263 -1.066 1.00 43.02 H new ATOM 239 N LYS A 16 -4.685 1.405 -4.918 1.00 31.04 N ATOM 240 CA LYS A 16 -5.777 2.274 -5.338 1.00 65.05 C ATOM 241 C LYS A 16 -5.810 2.412 -6.857 1.00 20.02 C ATOM 242 O LYS A 16 -6.853 2.703 -7.441 1.00 72.24 O ATOM 243 CB LYS A 16 -5.633 3.655 -4.693 1.00 74.15 C ATOM 244 CG LYS A 16 -4.653 4.564 -5.414 1.00 61.33 C ATOM 245 CD LYS A 16 -4.019 5.565 -4.463 1.00 73.11 C ATOM 246 CE LYS A 16 -3.341 6.698 -5.218 1.00 13.13 C ATOM 247 NZ LYS A 16 -4.323 7.535 -5.960 1.00 41.33 N ATOM 0 H LYS A 16 -3.976 1.865 -4.346 1.00 31.04 H new ATOM 0 HA LYS A 16 -6.714 1.822 -5.012 1.00 65.05 H new ATOM 0 HB2 LYS A 16 -6.610 4.137 -4.665 1.00 74.15 H new ATOM 0 HB3 LYS A 16 -5.309 3.532 -3.660 1.00 74.15 H new ATOM 0 HG2 LYS A 16 -3.874 3.962 -5.883 1.00 61.33 H new ATOM 0 HG3 LYS A 16 -5.169 5.096 -6.213 1.00 61.33 H new ATOM 0 HD2 LYS A 16 -4.782 5.973 -3.801 1.00 73.11 H new ATOM 0 HD3 LYS A 16 -3.288 5.058 -3.833 1.00 73.11 H new ATOM 0 HE2 LYS A 16 -2.788 7.323 -4.516 1.00 13.13 H new ATOM 0 HE3 LYS A 16 -2.614 6.285 -5.917 1.00 13.13 H new ATOM 0 HZ1 LYS A 16 -3.911 8.472 -6.144 1.00 41.33 H new ATOM 0 HZ2 LYS A 16 -4.557 7.076 -6.864 1.00 41.33 H new ATOM 0 HZ3 LYS A 16 -5.187 7.642 -5.392 1.00 41.33 H new ATOM 261 N ASP A 17 -4.662 2.200 -7.490 1.00 2.40 N ATOM 262 CA ASP A 17 -4.559 2.298 -8.941 1.00 72.03 C ATOM 263 C ASP A 17 -5.144 1.058 -9.613 1.00 4.12 C ATOM 264 O ASP A 17 -5.507 1.089 -10.787 1.00 23.12 O ATOM 265 CB ASP A 17 -3.099 2.480 -9.360 1.00 74.34 C ATOM 266 CG ASP A 17 -2.902 2.324 -10.855 1.00 70.22 C ATOM 267 OD1 ASP A 17 -3.425 3.167 -11.614 1.00 50.13 O ATOM 268 OD2 ASP A 17 -2.225 1.358 -11.267 1.00 61.12 O ATOM 0 H ASP A 17 -3.789 1.959 -7.021 1.00 2.40 H new ATOM 0 HA ASP A 17 -5.132 3.168 -9.263 1.00 72.03 H new ATOM 0 HB2 ASP A 17 -2.756 3.468 -9.052 1.00 74.34 H new ATOM 0 HB3 ASP A 17 -2.480 1.751 -8.837 1.00 74.34 H new ATOM 273 N GLY A 18 -5.229 -0.032 -8.857 1.00 12.22 N ATOM 274 CA GLY A 18 -5.768 -1.268 -9.395 1.00 55.30 C ATOM 275 C GLY A 18 -4.757 -2.396 -9.384 1.00 51.00 C ATOM 276 O GLY A 18 -4.616 -3.123 -10.367 1.00 62.04 O ATOM 0 H GLY A 18 -4.934 -0.082 -7.882 1.00 12.22 H new ATOM 0 HA2 GLY A 18 -6.642 -1.562 -8.814 1.00 55.30 H new ATOM 0 HA3 GLY A 18 -6.107 -1.098 -10.417 1.00 55.30 H new ATOM 280 N VAL A 19 -4.048 -2.542 -8.269 1.00 33.13 N ATOM 281 CA VAL A 19 -3.043 -3.590 -8.133 1.00 54.24 C ATOM 282 C VAL A 19 -3.348 -4.494 -6.944 1.00 74.32 C ATOM 283 O VAL A 19 -3.646 -4.033 -5.842 1.00 42.01 O ATOM 284 CB VAL A 19 -1.632 -2.995 -7.962 1.00 53.25 C ATOM 285 CG1 VAL A 19 -0.589 -4.101 -7.915 1.00 71.35 C ATOM 286 CG2 VAL A 19 -1.330 -2.012 -9.084 1.00 13.22 C ATOM 0 H VAL A 19 -4.151 -1.948 -7.447 1.00 33.13 H new ATOM 0 HA VAL A 19 -3.074 -4.178 -9.050 1.00 54.24 H new ATOM 0 HB VAL A 19 -1.595 -2.454 -7.016 1.00 53.25 H new ATOM 0 HG11 VAL A 19 0.401 -3.662 -7.794 1.00 71.35 H new ATOM 0 HG12 VAL A 19 -0.798 -4.763 -7.074 1.00 71.35 H new ATOM 0 HG13 VAL A 19 -0.622 -4.672 -8.843 1.00 71.35 H new ATOM 0 HG21 VAL A 19 -0.330 -1.601 -8.948 1.00 13.22 H new ATOM 0 HG22 VAL A 19 -1.384 -2.527 -10.043 1.00 13.22 H new ATOM 0 HG23 VAL A 19 -2.060 -1.203 -9.065 1.00 13.22 H new ATOM 296 N PRO A 20 -3.275 -5.814 -7.171 1.00 61.22 N ATOM 297 CA PRO A 20 -3.540 -6.811 -6.130 1.00 65.21 C ATOM 298 C PRO A 20 -2.453 -6.836 -5.060 1.00 41.33 C ATOM 299 O PRO A 20 -1.299 -6.497 -5.325 1.00 74.53 O ATOM 300 CB PRO A 20 -3.559 -8.133 -6.902 1.00 60.33 C ATOM 301 CG PRO A 20 -2.719 -7.880 -8.107 1.00 1.15 C ATOM 302 CD PRO A 20 -2.928 -6.434 -8.461 1.00 5.33 C ATOM 0 HA PRO A 20 -4.464 -6.602 -5.592 1.00 65.21 H new ATOM 0 HB2 PRO A 20 -3.155 -8.948 -6.302 1.00 60.33 H new ATOM 0 HB3 PRO A 20 -4.575 -8.415 -7.179 1.00 60.33 H new ATOM 0 HG2 PRO A 20 -1.668 -8.083 -7.900 1.00 1.15 H new ATOM 0 HG3 PRO A 20 -3.013 -8.530 -8.931 1.00 1.15 H new ATOM 0 HD2 PRO A 20 -2.029 -5.992 -8.891 1.00 5.33 H new ATOM 0 HD3 PRO A 20 -3.726 -6.311 -9.194 1.00 5.33 H new ATOM 310 N VAL A 21 -2.829 -7.237 -3.851 1.00 2.44 N ATOM 311 CA VAL A 21 -1.886 -7.306 -2.741 1.00 12.22 C ATOM 312 C VAL A 21 -0.665 -8.141 -3.109 1.00 44.31 C ATOM 313 O VAL A 21 0.466 -7.791 -2.767 1.00 25.03 O ATOM 314 CB VAL A 21 -2.543 -7.905 -1.483 1.00 0.25 C ATOM 315 CG1 VAL A 21 -3.564 -6.938 -0.902 1.00 62.51 C ATOM 316 CG2 VAL A 21 -3.187 -9.245 -1.805 1.00 2.33 C ATOM 0 H VAL A 21 -3.780 -7.519 -3.614 1.00 2.44 H new ATOM 0 HA VAL A 21 -1.573 -6.284 -2.527 1.00 12.22 H new ATOM 0 HB VAL A 21 -1.769 -8.071 -0.734 1.00 0.25 H new ATOM 0 HG11 VAL A 21 -4.018 -7.378 -0.014 1.00 62.51 H new ATOM 0 HG12 VAL A 21 -3.069 -6.005 -0.632 1.00 62.51 H new ATOM 0 HG13 VAL A 21 -4.338 -6.737 -1.643 1.00 62.51 H new ATOM 0 HG21 VAL A 21 -3.646 -9.654 -0.905 1.00 2.33 H new ATOM 0 HG22 VAL A 21 -3.950 -9.107 -2.571 1.00 2.33 H new ATOM 0 HG23 VAL A 21 -2.427 -9.936 -2.170 1.00 2.33 H new ATOM 326 N LYS A 22 -0.898 -9.245 -3.809 1.00 40.24 N ATOM 327 CA LYS A 22 0.182 -10.131 -4.227 1.00 50.41 C ATOM 328 C LYS A 22 1.194 -9.384 -5.091 1.00 75.22 C ATOM 329 O LYS A 22 2.400 -9.597 -4.974 1.00 23.43 O ATOM 330 CB LYS A 22 -0.381 -11.327 -4.998 1.00 5.50 C ATOM 331 CG LYS A 22 -1.082 -10.942 -6.290 1.00 34.15 C ATOM 332 CD LYS A 22 -2.267 -11.851 -6.572 1.00 13.42 C ATOM 333 CE LYS A 22 -1.877 -13.009 -7.476 1.00 71.15 C ATOM 334 NZ LYS A 22 -2.532 -12.916 -8.811 1.00 23.14 N ATOM 0 H LYS A 22 -1.827 -9.549 -4.100 1.00 40.24 H new ATOM 0 HA LYS A 22 0.690 -10.491 -3.333 1.00 50.41 H new ATOM 0 HB2 LYS A 22 0.432 -12.016 -5.227 1.00 5.50 H new ATOM 0 HB3 LYS A 22 -1.083 -11.863 -4.359 1.00 5.50 H new ATOM 0 HG2 LYS A 22 -1.422 -9.908 -6.227 1.00 34.15 H new ATOM 0 HG3 LYS A 22 -0.376 -10.995 -7.118 1.00 34.15 H new ATOM 0 HD2 LYS A 22 -2.662 -12.238 -5.633 1.00 13.42 H new ATOM 0 HD3 LYS A 22 -3.065 -11.275 -7.040 1.00 13.42 H new ATOM 0 HE2 LYS A 22 -0.794 -13.022 -7.603 1.00 71.15 H new ATOM 0 HE3 LYS A 22 -2.154 -13.950 -7.001 1.00 71.15 H new ATOM 0 HZ1 LYS A 22 -2.241 -13.724 -9.398 1.00 23.14 H new ATOM 0 HZ2 LYS A 22 -3.565 -12.929 -8.692 1.00 23.14 H new ATOM 0 HZ3 LYS A 22 -2.248 -12.030 -9.276 1.00 23.14 H new ATOM 348 N GLU A 23 0.694 -8.508 -5.956 1.00 75.43 N ATOM 349 CA GLU A 23 1.555 -7.730 -6.839 1.00 71.34 C ATOM 350 C GLU A 23 2.208 -6.577 -6.084 1.00 31.11 C ATOM 351 O GLU A 23 3.411 -6.341 -6.210 1.00 33.25 O ATOM 352 CB GLU A 23 0.752 -7.188 -8.025 1.00 23.54 C ATOM 353 CG GLU A 23 1.553 -6.272 -8.934 1.00 12.02 C ATOM 354 CD GLU A 23 0.902 -6.082 -10.290 1.00 13.02 C ATOM 355 OE1 GLU A 23 0.188 -7.002 -10.741 1.00 1.32 O ATOM 356 OE2 GLU A 23 1.106 -5.012 -10.900 1.00 41.45 O ATOM 0 H GLU A 23 -0.302 -8.319 -6.064 1.00 75.43 H new ATOM 0 HA GLU A 23 2.340 -8.389 -7.212 1.00 71.34 H new ATOM 0 HB2 GLU A 23 0.373 -8.026 -8.610 1.00 23.54 H new ATOM 0 HB3 GLU A 23 -0.115 -6.645 -7.648 1.00 23.54 H new ATOM 0 HG2 GLU A 23 1.671 -5.301 -8.453 1.00 12.02 H new ATOM 0 HG3 GLU A 23 2.553 -6.684 -9.070 1.00 12.02 H new ATOM 363 N ILE A 24 1.409 -5.861 -5.301 1.00 73.33 N ATOM 364 CA ILE A 24 1.908 -4.733 -4.525 1.00 40.22 C ATOM 365 C ILE A 24 3.090 -5.146 -3.654 1.00 14.23 C ATOM 366 O ILE A 24 4.066 -4.409 -3.525 1.00 64.11 O ATOM 367 CB ILE A 24 0.808 -4.135 -3.629 1.00 51.41 C ATOM 368 CG1 ILE A 24 -0.385 -3.690 -4.477 1.00 40.45 C ATOM 369 CG2 ILE A 24 1.358 -2.966 -2.825 1.00 50.44 C ATOM 370 CD1 ILE A 24 -1.697 -3.693 -3.725 1.00 13.22 C ATOM 0 H ILE A 24 0.412 -6.042 -5.187 1.00 73.33 H new ATOM 0 HA ILE A 24 2.233 -3.977 -5.240 1.00 40.22 H new ATOM 0 HB ILE A 24 0.469 -4.903 -2.933 1.00 51.41 H new ATOM 0 HG12 ILE A 24 -0.196 -2.686 -4.857 1.00 40.45 H new ATOM 0 HG13 ILE A 24 -0.470 -4.347 -5.342 1.00 40.45 H new ATOM 0 HG21 ILE A 24 0.569 -2.553 -2.196 1.00 50.44 H new ATOM 0 HG22 ILE A 24 2.179 -3.311 -2.197 1.00 50.44 H new ATOM 0 HG23 ILE A 24 1.720 -2.195 -3.505 1.00 50.44 H new ATOM 0 HD11 ILE A 24 -2.498 -3.367 -4.389 1.00 13.22 H new ATOM 0 HD12 ILE A 24 -1.910 -4.701 -3.368 1.00 13.22 H new ATOM 0 HD13 ILE A 24 -1.631 -3.014 -2.875 1.00 13.22 H new ATOM 382 N ALA A 25 2.993 -6.329 -3.058 1.00 30.53 N ATOM 383 CA ALA A 25 4.055 -6.843 -2.201 1.00 51.24 C ATOM 384 C ALA A 25 5.382 -6.905 -2.950 1.00 33.15 C ATOM 385 O ALA A 25 6.420 -6.495 -2.429 1.00 25.32 O ATOM 386 CB ALA A 25 3.684 -8.218 -1.666 1.00 54.13 C ATOM 0 H ALA A 25 2.190 -6.950 -3.153 1.00 30.53 H new ATOM 0 HA ALA A 25 4.173 -6.159 -1.361 1.00 51.24 H new ATOM 0 HB1 ALA A 25 4.486 -8.589 -1.028 1.00 54.13 H new ATOM 0 HB2 ALA A 25 2.763 -8.147 -1.087 1.00 54.13 H new ATOM 0 HB3 ALA A 25 3.536 -8.905 -2.499 1.00 54.13 H new ATOM 392 N LYS A 26 5.342 -7.421 -4.173 1.00 51.35 N ATOM 393 CA LYS A 26 6.541 -7.536 -4.995 1.00 41.13 C ATOM 394 C LYS A 26 7.019 -6.163 -5.456 1.00 72.22 C ATOM 395 O LYS A 26 8.215 -5.943 -5.644 1.00 1.34 O ATOM 396 CB LYS A 26 6.268 -8.427 -6.209 1.00 21.24 C ATOM 397 CG LYS A 26 5.631 -9.759 -5.855 1.00 64.32 C ATOM 398 CD LYS A 26 6.468 -10.527 -4.846 1.00 11.24 C ATOM 399 CE LYS A 26 7.839 -10.873 -5.406 1.00 4.51 C ATOM 400 NZ LYS A 26 8.155 -12.319 -5.246 1.00 51.03 N ATOM 0 H LYS A 26 4.492 -7.767 -4.618 1.00 51.35 H new ATOM 0 HA LYS A 26 7.325 -7.989 -4.388 1.00 41.13 H new ATOM 0 HB2 LYS A 26 5.615 -7.894 -6.901 1.00 21.24 H new ATOM 0 HB3 LYS A 26 7.206 -8.610 -6.733 1.00 21.24 H new ATOM 0 HG2 LYS A 26 4.634 -9.590 -5.448 1.00 64.32 H new ATOM 0 HG3 LYS A 26 5.510 -10.357 -6.758 1.00 64.32 H new ATOM 0 HD2 LYS A 26 6.584 -9.932 -3.940 1.00 11.24 H new ATOM 0 HD3 LYS A 26 5.948 -11.442 -4.562 1.00 11.24 H new ATOM 0 HE2 LYS A 26 7.877 -10.608 -6.463 1.00 4.51 H new ATOM 0 HE3 LYS A 26 8.599 -10.277 -4.900 1.00 4.51 H new ATOM 0 HZ1 LYS A 26 9.097 -12.514 -5.640 1.00 51.03 H new ATOM 0 HZ2 LYS A 26 8.144 -12.567 -4.236 1.00 51.03 H new ATOM 0 HZ3 LYS A 26 7.445 -12.887 -5.750 1.00 51.03 H new ATOM 414 N ARG A 27 6.077 -5.243 -5.635 1.00 40.52 N ATOM 415 CA ARG A 27 6.403 -3.891 -6.074 1.00 63.20 C ATOM 416 C ARG A 27 7.172 -3.139 -4.991 1.00 53.23 C ATOM 417 O ARG A 27 8.210 -2.534 -5.260 1.00 75.11 O ATOM 418 CB ARG A 27 5.128 -3.126 -6.433 1.00 21.43 C ATOM 419 CG ARG A 27 4.327 -3.770 -7.554 1.00 23.34 C ATOM 420 CD ARG A 27 4.674 -3.164 -8.904 1.00 63.14 C ATOM 421 NE ARG A 27 3.570 -3.274 -9.854 1.00 64.41 N ATOM 422 CZ ARG A 27 3.478 -2.549 -10.962 1.00 42.25 C ATOM 423 NH1 ARG A 27 4.420 -1.664 -11.259 1.00 53.12 N ATOM 424 NH2 ARG A 27 2.443 -2.707 -11.777 1.00 55.01 N ATOM 0 H ARG A 27 5.082 -5.409 -5.483 1.00 40.52 H new ATOM 0 HA ARG A 27 7.034 -3.966 -6.959 1.00 63.20 H new ATOM 0 HB2 ARG A 27 4.499 -3.049 -5.546 1.00 21.43 H new ATOM 0 HB3 ARG A 27 5.394 -2.110 -6.725 1.00 21.43 H new ATOM 0 HG2 ARG A 27 4.523 -4.842 -7.574 1.00 23.34 H new ATOM 0 HG3 ARG A 27 3.262 -3.644 -7.360 1.00 23.34 H new ATOM 0 HD2 ARG A 27 4.936 -2.114 -8.773 1.00 63.14 H new ATOM 0 HD3 ARG A 27 5.553 -3.664 -9.311 1.00 63.14 H new ATOM 0 HE ARG A 27 2.828 -3.945 -9.655 1.00 64.41 H new ATOM 0 HH11 ARG A 27 5.217 -1.539 -10.635 1.00 53.12 H new ATOM 0 HH12 ARG A 27 4.347 -1.108 -12.111 1.00 53.12 H new ATOM 0 HH21 ARG A 27 1.716 -3.387 -11.553 1.00 55.01 H new ATOM 0 HH22 ARG A 27 2.374 -2.149 -12.628 1.00 55.01 H new ATOM 438 N SER A 28 6.654 -3.181 -3.767 1.00 62.04 N ATOM 439 CA SER A 28 7.289 -2.499 -2.646 1.00 63.40 C ATOM 440 C SER A 28 8.272 -3.424 -1.935 1.00 4.15 C ATOM 441 O SER A 28 8.879 -3.051 -0.932 1.00 33.12 O ATOM 442 CB SER A 28 6.232 -2.005 -1.657 1.00 75.32 C ATOM 443 OG SER A 28 6.834 -1.397 -0.528 1.00 23.32 O ATOM 0 H SER A 28 5.797 -3.680 -3.527 1.00 62.04 H new ATOM 0 HA SER A 28 7.839 -1.643 -3.038 1.00 63.40 H new ATOM 0 HB2 SER A 28 5.573 -1.290 -2.151 1.00 75.32 H new ATOM 0 HB3 SER A 28 5.611 -2.841 -1.336 1.00 75.32 H new ATOM 0 HG SER A 28 7.751 -1.728 -0.428 1.00 23.32 H new ATOM 449 N ASN A 29 8.425 -4.635 -2.464 1.00 4.32 N ATOM 450 CA ASN A 29 9.335 -5.614 -1.880 1.00 33.51 C ATOM 451 C ASN A 29 8.950 -5.920 -0.435 1.00 64.35 C ATOM 452 O ASN A 29 9.792 -6.313 0.371 1.00 53.01 O ATOM 453 CB ASN A 29 10.775 -5.103 -1.939 1.00 62.24 C ATOM 454 CG ASN A 29 11.758 -6.189 -2.331 1.00 24.33 C ATOM 455 OD1 ASN A 29 11.621 -7.342 -1.923 1.00 33.44 O ATOM 456 ND2 ASN A 29 12.758 -5.824 -3.125 1.00 4.12 N ATOM 0 H ASN A 29 7.931 -4.961 -3.295 1.00 4.32 H new ATOM 0 HA ASN A 29 9.260 -6.534 -2.460 1.00 33.51 H new ATOM 0 HB2 ASN A 29 10.838 -4.284 -2.655 1.00 62.24 H new ATOM 0 HB3 ASN A 29 11.054 -4.698 -0.966 1.00 62.24 H new ATOM 0 HD21 ASN A 29 13.451 -6.511 -3.421 1.00 4.12 H new ATOM 0 HD22 ASN A 29 12.833 -4.857 -3.439 1.00 4.12 H new ATOM 463 N ASN A 30 7.673 -5.737 -0.117 1.00 3.34 N ATOM 464 CA ASN A 30 7.177 -5.993 1.230 1.00 31.51 C ATOM 465 C ASN A 30 6.426 -7.321 1.290 1.00 4.41 C ATOM 466 O ASN A 30 6.276 -8.007 0.280 1.00 2.30 O ATOM 467 CB ASN A 30 6.261 -4.856 1.683 1.00 14.34 C ATOM 468 CG ASN A 30 7.010 -3.781 2.449 1.00 74.54 C ATOM 469 OD1 ASN A 30 8.037 -4.048 3.071 1.00 12.22 O ATOM 470 ND2 ASN A 30 6.495 -2.557 2.406 1.00 32.54 N ATOM 0 H ASN A 30 6.963 -5.412 -0.773 1.00 3.34 H new ATOM 0 HA ASN A 30 8.034 -6.050 1.901 1.00 31.51 H new ATOM 0 HB2 ASN A 30 5.781 -4.410 0.812 1.00 14.34 H new ATOM 0 HB3 ASN A 30 5.468 -5.260 2.312 1.00 14.34 H new ATOM 0 HD21 ASN A 30 6.954 -1.793 2.902 1.00 32.54 H new ATOM 0 HD22 ASN A 30 5.641 -2.381 1.877 1.00 32.54 H new ATOM 477 N SER A 31 5.957 -7.675 2.482 1.00 3.34 N ATOM 478 CA SER A 31 5.224 -8.921 2.676 1.00 23.11 C ATOM 479 C SER A 31 3.719 -8.677 2.643 1.00 12.21 C ATOM 480 O SER A 31 3.255 -7.559 2.870 1.00 43.31 O ATOM 481 CB SER A 31 5.619 -9.568 4.005 1.00 64.13 C ATOM 482 OG SER A 31 5.850 -10.958 3.845 1.00 14.35 O ATOM 0 H SER A 31 6.071 -7.117 3.328 1.00 3.34 H new ATOM 0 HA SER A 31 5.482 -9.596 1.860 1.00 23.11 H new ATOM 0 HB2 SER A 31 6.517 -9.089 4.394 1.00 64.13 H new ATOM 0 HB3 SER A 31 4.830 -9.409 4.740 1.00 64.13 H new ATOM 0 HG SER A 31 6.103 -11.349 4.707 1.00 14.35 H new ATOM 488 N MET A 32 2.961 -9.731 2.361 1.00 54.42 N ATOM 489 CA MET A 32 1.507 -9.632 2.301 1.00 50.11 C ATOM 490 C MET A 32 0.947 -9.056 3.598 1.00 14.10 C ATOM 491 O MET A 32 -0.077 -8.372 3.594 1.00 62.55 O ATOM 492 CB MET A 32 0.891 -11.006 2.032 1.00 61.24 C ATOM 493 CG MET A 32 0.174 -11.099 0.694 1.00 24.11 C ATOM 494 SD MET A 32 -0.827 -12.591 0.546 1.00 71.11 S ATOM 495 CE MET A 32 -2.278 -12.120 1.486 1.00 1.23 C ATOM 0 H MET A 32 3.329 -10.663 2.170 1.00 54.42 H new ATOM 0 HA MET A 32 1.248 -8.959 1.483 1.00 50.11 H new ATOM 0 HB2 MET A 32 1.677 -11.761 2.067 1.00 61.24 H new ATOM 0 HB3 MET A 32 0.187 -11.242 2.830 1.00 61.24 H new ATOM 0 HG2 MET A 32 -0.463 -10.224 0.566 1.00 24.11 H new ATOM 0 HG3 MET A 32 0.909 -11.078 -0.110 1.00 24.11 H new ATOM 0 HE1 MET A 32 -2.596 -12.957 2.107 1.00 1.23 H new ATOM 0 HE2 MET A 32 -2.039 -11.267 2.121 1.00 1.23 H new ATOM 0 HE3 MET A 32 -3.082 -11.849 0.802 1.00 1.23 H new ATOM 505 N SER A 33 1.623 -9.339 4.706 1.00 1.30 N ATOM 506 CA SER A 33 1.190 -8.852 6.011 1.00 45.15 C ATOM 507 C SER A 33 1.589 -7.392 6.206 1.00 70.44 C ATOM 508 O SER A 33 0.986 -6.672 7.002 1.00 35.05 O ATOM 509 CB SER A 33 1.794 -9.710 7.124 1.00 14.25 C ATOM 510 OG SER A 33 1.358 -9.271 8.400 1.00 44.15 O ATOM 0 H SER A 33 2.473 -9.903 4.727 1.00 1.30 H new ATOM 0 HA SER A 33 0.103 -8.923 6.056 1.00 45.15 H new ATOM 0 HB2 SER A 33 1.511 -10.752 6.978 1.00 14.25 H new ATOM 0 HB3 SER A 33 2.882 -9.665 7.073 1.00 14.25 H new ATOM 0 HG SER A 33 1.757 -9.836 9.094 1.00 44.15 H new ATOM 516 N THR A 34 2.610 -6.961 5.472 1.00 2.12 N ATOM 517 CA THR A 34 3.091 -5.588 5.564 1.00 53.43 C ATOM 518 C THR A 34 2.279 -4.659 4.669 1.00 63.50 C ATOM 519 O THR A 34 1.802 -3.615 5.110 1.00 14.43 O ATOM 520 CB THR A 34 4.578 -5.486 5.175 1.00 20.20 C ATOM 521 OG1 THR A 34 5.332 -6.498 5.853 1.00 1.44 O ATOM 522 CG2 THR A 34 5.135 -4.114 5.521 1.00 23.22 C ATOM 0 H THR A 34 3.120 -7.543 4.807 1.00 2.12 H new ATOM 0 HA THR A 34 2.973 -5.282 6.603 1.00 53.43 H new ATOM 0 HB THR A 34 4.660 -5.632 4.098 1.00 20.20 H new ATOM 0 HG1 THR A 34 6.276 -6.428 5.599 1.00 1.44 H new ATOM 0 HG21 THR A 34 6.186 -4.066 5.237 1.00 23.22 H new ATOM 0 HG22 THR A 34 4.578 -3.348 4.981 1.00 23.22 H new ATOM 0 HG23 THR A 34 5.041 -3.943 6.593 1.00 23.22 H new ATOM 530 N VAL A 35 2.124 -5.048 3.407 1.00 43.04 N ATOM 531 CA VAL A 35 1.368 -4.251 2.448 1.00 32.25 C ATOM 532 C VAL A 35 -0.106 -4.181 2.834 1.00 12.44 C ATOM 533 O VAL A 35 -0.658 -3.097 3.023 1.00 11.00 O ATOM 534 CB VAL A 35 1.487 -4.824 1.024 1.00 40.30 C ATOM 535 CG1 VAL A 35 0.396 -4.259 0.128 1.00 52.15 C ATOM 536 CG2 VAL A 35 2.865 -4.532 0.447 1.00 71.01 C ATOM 0 H VAL A 35 2.512 -5.910 3.025 1.00 43.04 H new ATOM 0 HA VAL A 35 1.794 -3.248 2.464 1.00 32.25 H new ATOM 0 HB VAL A 35 1.359 -5.905 1.074 1.00 40.30 H new ATOM 0 HG11 VAL A 35 0.496 -4.675 -0.874 1.00 52.15 H new ATOM 0 HG12 VAL A 35 -0.581 -4.522 0.534 1.00 52.15 H new ATOM 0 HG13 VAL A 35 0.489 -3.174 0.081 1.00 52.15 H new ATOM 0 HG21 VAL A 35 2.933 -4.944 -0.560 1.00 71.01 H new ATOM 0 HG22 VAL A 35 3.023 -3.454 0.410 1.00 71.01 H new ATOM 0 HG23 VAL A 35 3.628 -4.989 1.078 1.00 71.01 H new ATOM 546 N TYR A 36 -0.737 -5.344 2.950 1.00 3.12 N ATOM 547 CA TYR A 36 -2.148 -5.416 3.312 1.00 43.32 C ATOM 548 C TYR A 36 -2.427 -4.610 4.576 1.00 13.25 C ATOM 549 O TYR A 36 -3.452 -3.937 4.685 1.00 13.20 O ATOM 550 CB TYR A 36 -2.570 -6.872 3.517 1.00 41.45 C ATOM 551 CG TYR A 36 -4.058 -7.096 3.374 1.00 71.34 C ATOM 552 CD1 TYR A 36 -4.753 -6.599 2.277 1.00 12.32 C ATOM 553 CD2 TYR A 36 -4.770 -7.803 4.334 1.00 1.21 C ATOM 554 CE1 TYR A 36 -6.113 -6.801 2.142 1.00 31.15 C ATOM 555 CE2 TYR A 36 -6.130 -8.011 4.207 1.00 71.03 C ATOM 556 CZ TYR A 36 -6.797 -7.508 3.109 1.00 60.20 C ATOM 557 OH TYR A 36 -8.151 -7.712 2.978 1.00 15.05 O ATOM 0 H TYR A 36 -0.294 -6.250 2.799 1.00 3.12 H new ATOM 0 HA TYR A 36 -2.729 -4.989 2.495 1.00 43.32 H new ATOM 0 HB2 TYR A 36 -2.046 -7.499 2.796 1.00 41.45 H new ATOM 0 HB3 TYR A 36 -2.256 -7.197 4.509 1.00 41.45 H new ATOM 0 HD1 TYR A 36 -4.221 -6.046 1.518 1.00 12.32 H new ATOM 0 HD2 TYR A 36 -4.251 -8.197 5.195 1.00 1.21 H new ATOM 0 HE1 TYR A 36 -6.638 -6.408 1.284 1.00 31.15 H new ATOM 0 HE2 TYR A 36 -6.668 -8.564 4.963 1.00 71.03 H new ATOM 0 HH TYR A 36 -8.480 -8.229 3.743 1.00 15.05 H new ATOM 567 N LYS A 37 -1.507 -4.684 5.533 1.00 51.24 N ATOM 568 CA LYS A 37 -1.651 -3.961 6.791 1.00 44.41 C ATOM 569 C LYS A 37 -1.728 -2.457 6.549 1.00 71.30 C ATOM 570 O LYS A 37 -2.392 -1.733 7.289 1.00 30.34 O ATOM 571 CB LYS A 37 -0.478 -4.279 7.721 1.00 12.33 C ATOM 572 CG LYS A 37 -0.433 -3.405 8.963 1.00 31.14 C ATOM 573 CD LYS A 37 0.711 -3.800 9.882 1.00 72.21 C ATOM 574 CE LYS A 37 1.509 -2.586 10.332 1.00 44.42 C ATOM 575 NZ LYS A 37 2.208 -2.830 11.624 1.00 15.44 N ATOM 0 H LYS A 37 -0.654 -5.238 5.461 1.00 51.24 H new ATOM 0 HA LYS A 37 -2.580 -4.283 7.263 1.00 44.41 H new ATOM 0 HB2 LYS A 37 -0.539 -5.324 8.024 1.00 12.33 H new ATOM 0 HB3 LYS A 37 0.455 -4.161 7.169 1.00 12.33 H new ATOM 0 HG2 LYS A 37 -0.322 -2.361 8.670 1.00 31.14 H new ATOM 0 HG3 LYS A 37 -1.378 -3.487 9.501 1.00 31.14 H new ATOM 0 HD2 LYS A 37 0.315 -4.320 10.754 1.00 72.21 H new ATOM 0 HD3 LYS A 37 1.369 -4.499 9.366 1.00 72.21 H new ATOM 0 HE2 LYS A 37 2.241 -2.328 9.566 1.00 44.42 H new ATOM 0 HE3 LYS A 37 0.841 -1.731 10.436 1.00 44.42 H new ATOM 0 HZ1 LYS A 37 2.741 -1.979 11.897 1.00 15.44 H new ATOM 0 HZ2 LYS A 37 1.508 -3.051 12.361 1.00 15.44 H new ATOM 0 HZ3 LYS A 37 2.864 -3.630 11.518 1.00 15.44 H new ATOM 589 N ALA A 38 -1.045 -1.994 5.507 1.00 74.15 N ATOM 590 CA ALA A 38 -1.040 -0.578 5.166 1.00 52.53 C ATOM 591 C ALA A 38 -2.324 -0.182 4.442 1.00 3.13 C ATOM 592 O ALA A 38 -2.919 0.856 4.736 1.00 40.02 O ATOM 593 CB ALA A 38 0.174 -0.244 4.310 1.00 31.23 C ATOM 0 H ALA A 38 -0.488 -2.580 4.885 1.00 74.15 H new ATOM 0 HA ALA A 38 -0.985 -0.008 6.093 1.00 52.53 H new ATOM 0 HB1 ALA A 38 0.164 0.818 4.063 1.00 31.23 H new ATOM 0 HB2 ALA A 38 1.084 -0.480 4.862 1.00 31.23 H new ATOM 0 HB3 ALA A 38 0.144 -0.830 3.392 1.00 31.23 H new ATOM 599 N LEU A 39 -2.744 -1.014 3.496 1.00 53.21 N ATOM 600 CA LEU A 39 -3.957 -0.750 2.730 1.00 21.24 C ATOM 601 C LEU A 39 -5.137 -0.476 3.657 1.00 72.34 C ATOM 602 O LEU A 39 -5.851 0.514 3.492 1.00 25.53 O ATOM 603 CB LEU A 39 -4.275 -1.936 1.817 1.00 51.00 C ATOM 604 CG LEU A 39 -3.156 -2.374 0.871 1.00 11.15 C ATOM 605 CD1 LEU A 39 -3.557 -3.632 0.116 1.00 74.33 C ATOM 606 CD2 LEU A 39 -2.810 -1.254 -0.099 1.00 63.34 C ATOM 0 H LEU A 39 -2.263 -1.877 3.241 1.00 53.21 H new ATOM 0 HA LEU A 39 -3.786 0.136 2.118 1.00 21.24 H new ATOM 0 HB2 LEU A 39 -4.549 -2.786 2.442 1.00 51.00 H new ATOM 0 HB3 LEU A 39 -5.151 -1.684 1.219 1.00 51.00 H new ATOM 0 HG LEU A 39 -2.270 -2.599 1.465 1.00 11.15 H new ATOM 0 HD11 LEU A 39 -2.749 -3.929 -0.552 1.00 74.33 H new ATOM 0 HD12 LEU A 39 -3.754 -4.435 0.826 1.00 74.33 H new ATOM 0 HD13 LEU A 39 -4.456 -3.435 -0.468 1.00 74.33 H new ATOM 0 HD21 LEU A 39 -2.012 -1.583 -0.765 1.00 63.34 H new ATOM 0 HD22 LEU A 39 -3.691 -0.997 -0.688 1.00 63.34 H new ATOM 0 HD23 LEU A 39 -2.479 -0.378 0.459 1.00 63.34 H new ATOM 618 N GLU A 40 -5.335 -1.359 4.631 1.00 51.12 N ATOM 619 CA GLU A 40 -6.428 -1.210 5.585 1.00 72.02 C ATOM 620 C GLU A 40 -6.318 0.112 6.338 1.00 0.41 C ATOM 621 O GLU A 40 -7.303 0.621 6.873 1.00 75.14 O ATOM 622 CB GLU A 40 -6.432 -2.376 6.575 1.00 15.25 C ATOM 623 CG GLU A 40 -5.164 -2.471 7.408 1.00 54.02 C ATOM 624 CD GLU A 40 -5.396 -3.146 8.747 1.00 44.33 C ATOM 625 OE1 GLU A 40 -5.802 -4.326 8.753 1.00 65.22 O ATOM 626 OE2 GLU A 40 -5.170 -2.494 9.787 1.00 44.40 O ATOM 0 H GLU A 40 -4.754 -2.184 4.780 1.00 51.12 H new ATOM 0 HA GLU A 40 -7.365 -1.213 5.028 1.00 72.02 H new ATOM 0 HB2 GLU A 40 -7.288 -2.273 7.242 1.00 15.25 H new ATOM 0 HB3 GLU A 40 -6.567 -3.308 6.026 1.00 15.25 H new ATOM 0 HG2 GLU A 40 -4.409 -3.026 6.851 1.00 54.02 H new ATOM 0 HG3 GLU A 40 -4.767 -1.470 7.574 1.00 54.02 H new ATOM 633 N LYS A 41 -5.109 0.665 6.376 1.00 32.14 N ATOM 634 CA LYS A 41 -4.868 1.928 7.063 1.00 3.33 C ATOM 635 C LYS A 41 -5.327 3.107 6.212 1.00 12.21 C ATOM 636 O LYS A 41 -6.052 3.982 6.686 1.00 31.22 O ATOM 637 CB LYS A 41 -3.380 2.074 7.396 1.00 31.51 C ATOM 638 CG LYS A 41 -3.111 2.377 8.859 1.00 22.45 C ATOM 639 CD LYS A 41 -3.284 1.139 9.725 1.00 11.51 C ATOM 640 CE LYS A 41 -2.121 0.174 9.555 1.00 32.24 C ATOM 641 NZ LYS A 41 -2.462 -1.194 10.037 1.00 64.13 N ATOM 0 H LYS A 41 -4.282 0.258 5.939 1.00 32.14 H new ATOM 0 HA LYS A 41 -5.444 1.926 7.989 1.00 3.33 H new ATOM 0 HB2 LYS A 41 -2.863 1.154 7.123 1.00 31.51 H new ATOM 0 HB3 LYS A 41 -2.956 2.871 6.785 1.00 31.51 H new ATOM 0 HG2 LYS A 41 -2.098 2.762 8.972 1.00 22.45 H new ATOM 0 HG3 LYS A 41 -3.789 3.159 9.200 1.00 22.45 H new ATOM 0 HD2 LYS A 41 -3.364 1.434 10.771 1.00 11.51 H new ATOM 0 HD3 LYS A 41 -4.216 0.638 9.463 1.00 11.51 H new ATOM 0 HE2 LYS A 41 -1.837 0.129 8.504 1.00 32.24 H new ATOM 0 HE3 LYS A 41 -1.256 0.547 10.103 1.00 32.24 H new ATOM 0 HZ1 LYS A 41 -1.657 -1.586 10.566 1.00 64.13 H new ATOM 0 HZ2 LYS A 41 -3.294 -1.146 10.659 1.00 64.13 H new ATOM 0 HZ3 LYS A 41 -2.673 -1.806 9.223 1.00 64.13 H new ATOM 655 N LEU A 42 -4.902 3.123 4.953 1.00 11.34 N ATOM 656 CA LEU A 42 -5.271 4.195 4.035 1.00 32.13 C ATOM 657 C LEU A 42 -6.750 4.111 3.668 1.00 63.24 C ATOM 658 O LEU A 42 -7.461 5.116 3.686 1.00 22.02 O ATOM 659 CB LEU A 42 -4.415 4.126 2.769 1.00 75.03 C ATOM 660 CG LEU A 42 -2.942 4.501 2.935 1.00 64.23 C ATOM 661 CD1 LEU A 42 -2.047 3.379 2.432 1.00 22.34 C ATOM 662 CD2 LEU A 42 -2.636 5.798 2.200 1.00 10.41 C ATOM 0 H LEU A 42 -4.302 2.406 4.545 1.00 11.34 H new ATOM 0 HA LEU A 42 -5.092 5.147 4.535 1.00 32.13 H new ATOM 0 HB2 LEU A 42 -4.469 3.112 2.373 1.00 75.03 H new ATOM 0 HB3 LEU A 42 -4.855 4.785 2.020 1.00 75.03 H new ATOM 0 HG LEU A 42 -2.742 4.651 3.996 1.00 64.23 H new ATOM 0 HD11 LEU A 42 -1.002 3.663 2.558 1.00 22.34 H new ATOM 0 HD12 LEU A 42 -2.247 2.471 3.001 1.00 22.34 H new ATOM 0 HD13 LEU A 42 -2.249 3.198 1.376 1.00 22.34 H new ATOM 0 HD21 LEU A 42 -1.583 6.050 2.329 1.00 10.41 H new ATOM 0 HD22 LEU A 42 -2.852 5.675 1.139 1.00 10.41 H new ATOM 0 HD23 LEU A 42 -3.253 6.600 2.605 1.00 10.41 H new ATOM 674 N GLU A 43 -7.204 2.907 3.337 1.00 73.55 N ATOM 675 CA GLU A 43 -8.599 2.693 2.967 1.00 20.02 C ATOM 676 C GLU A 43 -9.537 3.222 4.050 1.00 24.21 C ATOM 677 O GLU A 43 -10.566 3.827 3.752 1.00 10.14 O ATOM 678 CB GLU A 43 -8.864 1.205 2.729 1.00 32.32 C ATOM 679 CG GLU A 43 -9.833 0.934 1.591 1.00 42.53 C ATOM 680 CD GLU A 43 -11.262 0.763 2.067 1.00 32.42 C ATOM 681 OE1 GLU A 43 -11.947 1.786 2.274 1.00 23.04 O ATOM 682 OE2 GLU A 43 -11.696 -0.397 2.235 1.00 23.10 O ATOM 0 H GLU A 43 -6.628 2.066 3.317 1.00 73.55 H new ATOM 0 HA GLU A 43 -8.792 3.241 2.045 1.00 20.02 H new ATOM 0 HB2 GLU A 43 -7.919 0.706 2.517 1.00 32.32 H new ATOM 0 HB3 GLU A 43 -9.259 0.764 3.644 1.00 32.32 H new ATOM 0 HG2 GLU A 43 -9.788 1.757 0.877 1.00 42.53 H new ATOM 0 HG3 GLU A 43 -9.521 0.034 1.060 1.00 42.53 H new ATOM 689 N ALA A 44 -9.172 2.988 5.307 1.00 65.45 N ATOM 690 CA ALA A 44 -9.978 3.440 6.433 1.00 51.45 C ATOM 691 C ALA A 44 -10.065 4.962 6.468 1.00 0.21 C ATOM 692 O ALA A 44 -10.974 5.527 7.076 1.00 61.34 O ATOM 693 CB ALA A 44 -9.403 2.912 7.738 1.00 34.12 C ATOM 0 H ALA A 44 -8.323 2.488 5.570 1.00 65.45 H new ATOM 0 HA ALA A 44 -10.987 3.047 6.308 1.00 51.45 H new ATOM 0 HB1 ALA A 44 -10.015 3.257 8.571 1.00 34.12 H new ATOM 0 HB2 ALA A 44 -9.398 1.822 7.719 1.00 34.12 H new ATOM 0 HB3 ALA A 44 -8.383 3.278 7.861 1.00 34.12 H new ATOM 699 N MET A 45 -9.112 5.621 5.815 1.00 32.10 N ATOM 700 CA MET A 45 -9.084 7.078 5.773 1.00 2.23 C ATOM 701 C MET A 45 -9.635 7.594 4.447 1.00 11.22 C ATOM 702 O MET A 45 -10.048 8.748 4.344 1.00 31.13 O ATOM 703 CB MET A 45 -7.655 7.587 5.978 1.00 60.14 C ATOM 704 CG MET A 45 -7.072 7.232 7.335 1.00 13.33 C ATOM 705 SD MET A 45 -7.648 8.330 8.646 1.00 61.42 S ATOM 706 CE MET A 45 -7.124 7.424 10.099 1.00 11.04 C ATOM 0 H MET A 45 -8.350 5.169 5.309 1.00 32.10 H new ATOM 0 HA MET A 45 -9.715 7.453 6.579 1.00 2.23 H new ATOM 0 HB2 MET A 45 -7.016 7.174 5.198 1.00 60.14 H new ATOM 0 HB3 MET A 45 -7.644 8.670 5.859 1.00 60.14 H new ATOM 0 HG2 MET A 45 -7.338 6.205 7.583 1.00 13.33 H new ATOM 0 HG3 MET A 45 -5.984 7.275 7.282 1.00 13.33 H new ATOM 0 HE1 MET A 45 -7.409 7.976 10.995 1.00 11.04 H new ATOM 0 HE2 MET A 45 -7.602 6.444 10.109 1.00 11.04 H new ATOM 0 HE3 MET A 45 -6.041 7.299 10.079 1.00 11.04 H new ATOM 716 N GLY A 46 -9.637 6.731 3.436 1.00 74.24 N ATOM 717 CA GLY A 46 -10.140 7.119 2.131 1.00 3.44 C ATOM 718 C GLY A 46 -9.058 7.703 1.244 1.00 41.33 C ATOM 719 O GLY A 46 -9.328 8.572 0.414 1.00 2.11 O ATOM 0 H GLY A 46 -9.299 5.770 3.497 1.00 74.24 H new ATOM 0 HA2 GLY A 46 -10.578 6.250 1.640 1.00 3.44 H new ATOM 0 HA3 GLY A 46 -10.938 7.851 2.255 1.00 3.44 H new ATOM 723 N ARG A 47 -7.830 7.226 1.418 1.00 61.11 N ATOM 724 CA ARG A 47 -6.703 7.708 0.628 1.00 74.00 C ATOM 725 C ARG A 47 -6.517 6.861 -0.627 1.00 73.41 C ATOM 726 O ARG A 47 -6.166 7.375 -1.689 1.00 51.42 O ATOM 727 CB ARG A 47 -5.422 7.688 1.464 1.00 54.32 C ATOM 728 CG ARG A 47 -5.629 8.117 2.907 1.00 72.25 C ATOM 729 CD ARG A 47 -6.112 9.557 2.996 1.00 22.55 C ATOM 730 NE ARG A 47 -5.071 10.453 3.491 1.00 42.31 N ATOM 731 CZ ARG A 47 -5.310 11.678 3.946 1.00 50.41 C ATOM 732 NH1 ARG A 47 -6.549 12.149 3.970 1.00 12.41 N ATOM 733 NH2 ARG A 47 -4.310 12.434 4.379 1.00 22.54 N ATOM 0 H ARG A 47 -7.590 6.506 2.099 1.00 61.11 H new ATOM 0 HA ARG A 47 -6.916 8.733 0.325 1.00 74.00 H new ATOM 0 HB2 ARG A 47 -5.005 6.681 1.450 1.00 54.32 H new ATOM 0 HB3 ARG A 47 -4.686 8.345 1.001 1.00 54.32 H new ATOM 0 HG2 ARG A 47 -6.355 7.458 3.383 1.00 72.25 H new ATOM 0 HG3 ARG A 47 -4.694 8.011 3.457 1.00 72.25 H new ATOM 0 HD2 ARG A 47 -6.440 9.891 2.012 1.00 22.55 H new ATOM 0 HD3 ARG A 47 -6.979 9.609 3.655 1.00 22.55 H new ATOM 0 HE ARG A 47 -4.107 10.120 3.487 1.00 42.31 H new ATOM 0 HH11 ARG A 47 -7.321 11.571 3.639 1.00 12.41 H new ATOM 0 HH12 ARG A 47 -6.730 13.090 4.320 1.00 12.41 H new ATOM 0 HH21 ARG A 47 -3.355 12.075 4.363 1.00 22.54 H new ATOM 0 HH22 ARG A 47 -4.496 13.374 4.728 1.00 22.54 H new ATOM 747 N ILE A 48 -6.757 5.560 -0.498 1.00 1.43 N ATOM 748 CA ILE A 48 -6.616 4.642 -1.621 1.00 43.34 C ATOM 749 C ILE A 48 -7.952 4.422 -2.322 1.00 34.21 C ATOM 750 O ILE A 48 -8.160 3.404 -2.983 1.00 12.34 O ATOM 751 CB ILE A 48 -6.056 3.280 -1.170 1.00 41.30 C ATOM 752 CG1 ILE A 48 -6.968 2.653 -0.114 1.00 74.13 C ATOM 753 CG2 ILE A 48 -4.643 3.443 -0.627 1.00 75.24 C ATOM 754 CD1 ILE A 48 -6.530 1.273 0.321 1.00 2.34 C ATOM 0 H ILE A 48 -7.050 5.118 0.373 1.00 1.43 H new ATOM 0 HA ILE A 48 -5.914 5.101 -2.317 1.00 43.34 H new ATOM 0 HB ILE A 48 -6.020 2.615 -2.033 1.00 41.30 H new ATOM 0 HG12 ILE A 48 -7.003 3.306 0.758 1.00 74.13 H new ATOM 0 HG13 ILE A 48 -7.982 2.595 -0.510 1.00 74.13 H new ATOM 0 HG21 ILE A 48 -4.260 2.472 -0.312 1.00 75.24 H new ATOM 0 HG22 ILE A 48 -3.999 3.852 -1.405 1.00 75.24 H new ATOM 0 HG23 ILE A 48 -4.657 4.122 0.226 1.00 75.24 H new ATOM 0 HD11 ILE A 48 -7.223 0.891 1.071 1.00 2.34 H new ATOM 0 HD12 ILE A 48 -6.523 0.605 -0.540 1.00 2.34 H new ATOM 0 HD13 ILE A 48 -5.528 1.327 0.747 1.00 2.34 H new ATOM 1035 N THR A 62 -33.503 19.031 4.989 1.00 71.41 N ATOM 1036 CA THR A 62 -34.808 18.383 5.042 1.00 3.13 C ATOM 1037 C THR A 62 -35.517 18.462 3.695 1.00 1.25 C ATOM 1038 O THR A 62 -35.182 19.297 2.856 1.00 71.32 O ATOM 1039 CB THR A 62 -35.707 19.018 6.121 1.00 71.32 C ATOM 1040 OG1 THR A 62 -34.909 19.766 7.045 1.00 32.31 O ATOM 1041 CG2 THR A 62 -36.491 17.950 6.869 1.00 62.14 C ATOM 0 HA THR A 62 -34.632 17.338 5.295 1.00 3.13 H new ATOM 0 HB THR A 62 -36.413 19.686 5.628 1.00 71.32 H new ATOM 0 HG1 THR A 62 -33.998 19.854 6.694 1.00 32.31 H new ATOM 0 HG21 THR A 62 -37.118 18.422 7.625 1.00 62.14 H new ATOM 0 HG22 THR A 62 -37.119 17.401 6.167 1.00 62.14 H new ATOM 0 HG23 THR A 62 -35.798 17.261 7.351 1.00 62.14 H new ATOM 1049 N GLU A 63 -36.498 17.587 3.496 1.00 3.25 N ATOM 1050 CA GLU A 63 -37.254 17.559 2.250 1.00 43.43 C ATOM 1051 C GLU A 63 -38.017 18.864 2.047 1.00 71.25 C ATOM 1052 O GLU A 63 -38.108 19.375 0.931 1.00 41.04 O ATOM 1053 CB GLU A 63 -38.228 16.379 2.245 1.00 62.03 C ATOM 1054 CG GLU A 63 -37.724 15.178 1.462 1.00 31.35 C ATOM 1055 CD GLU A 63 -38.241 15.151 0.037 1.00 45.12 C ATOM 1056 OE1 GLU A 63 -39.415 15.520 -0.176 1.00 2.31 O ATOM 1057 OE2 GLU A 63 -37.471 14.761 -0.866 1.00 71.43 O ATOM 0 H GLU A 63 -36.787 16.889 4.181 1.00 3.25 H new ATOM 0 HA GLU A 63 -36.547 17.441 1.429 1.00 43.43 H new ATOM 0 HB2 GLU A 63 -38.424 16.076 3.274 1.00 62.03 H new ATOM 0 HB3 GLU A 63 -39.178 16.705 1.823 1.00 62.03 H new ATOM 0 HG2 GLU A 63 -36.634 15.189 1.449 1.00 31.35 H new ATOM 0 HG3 GLU A 63 -38.027 14.264 1.972 1.00 31.35 H new ATOM 1064 N GLU A 64 -38.565 19.397 3.134 1.00 53.22 N ATOM 1065 CA GLU A 64 -39.322 20.642 3.074 1.00 15.44 C ATOM 1066 C GLU A 64 -38.389 21.841 2.931 1.00 11.21 C ATOM 1067 O GLU A 64 -38.741 22.843 2.311 1.00 53.51 O ATOM 1068 CB GLU A 64 -40.185 20.801 4.328 1.00 1.15 C ATOM 1069 CG GLU A 64 -41.648 21.076 4.030 1.00 75.00 C ATOM 1070 CD GLU A 64 -42.552 20.771 5.209 1.00 60.00 C ATOM 1071 OE1 GLU A 64 -42.474 21.499 6.220 1.00 11.14 O ATOM 1072 OE2 GLU A 64 -43.338 19.805 5.118 1.00 21.43 O ATOM 0 H GLU A 64 -38.499 18.987 4.066 1.00 53.22 H new ATOM 0 HA GLU A 64 -39.969 20.601 2.198 1.00 15.44 H new ATOM 0 HB2 GLU A 64 -40.110 19.894 4.928 1.00 1.15 H new ATOM 0 HB3 GLU A 64 -39.787 21.616 4.932 1.00 1.15 H new ATOM 0 HG2 GLU A 64 -41.767 22.122 3.747 1.00 75.00 H new ATOM 0 HG3 GLU A 64 -41.959 20.477 3.174 1.00 75.00 H new ATOM 1079 N GLU A 65 -37.198 21.728 3.510 1.00 3.11 N ATOM 1080 CA GLU A 65 -36.214 22.803 3.448 1.00 21.32 C ATOM 1081 C GLU A 65 -35.716 23.003 2.019 1.00 34.24 C ATOM 1082 O GLU A 65 -35.777 24.108 1.478 1.00 44.33 O ATOM 1083 CB GLU A 65 -35.033 22.498 4.373 1.00 51.03 C ATOM 1084 CG GLU A 65 -35.403 22.483 5.846 1.00 40.51 C ATOM 1085 CD GLU A 65 -34.187 22.474 6.752 1.00 53.52 C ATOM 1086 OE1 GLU A 65 -33.083 22.804 6.267 1.00 33.20 O ATOM 1087 OE2 GLU A 65 -34.338 22.139 7.945 1.00 25.30 O ATOM 0 H GLU A 65 -36.891 20.904 4.027 1.00 3.11 H new ATOM 0 HA GLU A 65 -36.697 23.722 3.778 1.00 21.32 H new ATOM 0 HB2 GLU A 65 -34.611 21.530 4.103 1.00 51.03 H new ATOM 0 HB3 GLU A 65 -34.253 23.242 4.210 1.00 51.03 H new ATOM 0 HG2 GLU A 65 -36.014 23.357 6.072 1.00 40.51 H new ATOM 0 HG3 GLU A 65 -36.014 21.605 6.055 1.00 40.51 H new ATOM 1094 N LEU A 66 -35.225 21.927 1.414 1.00 71.01 N ATOM 1095 CA LEU A 66 -34.716 21.984 0.048 1.00 21.01 C ATOM 1096 C LEU A 66 -35.765 22.553 -0.901 1.00 42.03 C ATOM 1097 O LEU A 66 -35.432 23.168 -1.914 1.00 50.31 O ATOM 1098 CB LEU A 66 -34.294 20.588 -0.418 1.00 53.30 C ATOM 1099 CG LEU A 66 -35.419 19.676 -0.909 1.00 3.24 C ATOM 1100 CD1 LEU A 66 -35.633 19.850 -2.404 1.00 23.12 C ATOM 1101 CD2 LEU A 66 -35.110 18.224 -0.576 1.00 23.51 C ATOM 0 H LEU A 66 -35.169 21.005 1.847 1.00 71.01 H new ATOM 0 HA LEU A 66 -33.848 22.643 0.037 1.00 21.01 H new ATOM 0 HB2 LEU A 66 -33.567 20.700 -1.222 1.00 53.30 H new ATOM 0 HB3 LEU A 66 -33.784 20.090 0.407 1.00 53.30 H new ATOM 0 HG LEU A 66 -36.340 19.957 -0.397 1.00 3.24 H new ATOM 0 HD11 LEU A 66 -36.437 19.193 -2.735 1.00 23.12 H new ATOM 0 HD12 LEU A 66 -35.900 20.885 -2.615 1.00 23.12 H new ATOM 0 HD13 LEU A 66 -34.715 19.596 -2.935 1.00 23.12 H new ATOM 0 HD21 LEU A 66 -35.921 17.589 -0.932 1.00 23.51 H new ATOM 0 HD22 LEU A 66 -34.179 17.930 -1.060 1.00 23.51 H new ATOM 0 HD23 LEU A 66 -35.009 18.112 0.503 1.00 23.51 H new ATOM 1113 N ALA A 67 -37.034 22.346 -0.565 1.00 54.42 N ATOM 1114 CA ALA A 67 -38.132 22.844 -1.385 1.00 30.43 C ATOM 1115 C ALA A 67 -38.385 24.325 -1.124 1.00 70.30 C ATOM 1116 O ALA A 67 -38.881 25.043 -1.993 1.00 4.41 O ATOM 1117 CB ALA A 67 -39.394 22.036 -1.122 1.00 35.23 C ATOM 0 H ALA A 67 -37.327 21.837 0.269 1.00 54.42 H new ATOM 0 HA ALA A 67 -37.852 22.730 -2.432 1.00 30.43 H new ATOM 0 HB1 ALA A 67 -40.206 22.418 -1.740 1.00 35.23 H new ATOM 0 HB2 ALA A 67 -39.213 20.989 -1.366 1.00 35.23 H new ATOM 0 HB3 ALA A 67 -39.668 22.121 -0.070 1.00 35.23 H new ATOM 1123 N THR A 68 -38.043 24.776 0.079 1.00 51.23 N ATOM 1124 CA THR A 68 -38.235 26.171 0.454 1.00 0.23 C ATOM 1125 C THR A 68 -37.076 27.035 -0.029 1.00 25.35 C ATOM 1126 O THR A 68 -37.283 28.107 -0.596 1.00 45.05 O ATOM 1127 CB THR A 68 -38.377 26.328 1.980 1.00 64.34 C ATOM 1128 OG1 THR A 68 -39.510 25.585 2.444 1.00 15.13 O ATOM 1129 CG2 THR A 68 -38.532 27.792 2.361 1.00 53.01 C ATOM 0 H THR A 68 -37.632 24.195 0.810 1.00 51.23 H new ATOM 0 HA THR A 68 -39.156 26.503 -0.025 1.00 0.23 H new ATOM 0 HB THR A 68 -37.472 25.942 2.450 1.00 64.34 H new ATOM 0 HG1 THR A 68 -39.305 24.627 2.420 1.00 15.13 H new ATOM 0 HG21 THR A 68 -38.631 27.878 3.443 1.00 53.01 H new ATOM 0 HG22 THR A 68 -37.655 28.349 2.031 1.00 53.01 H new ATOM 0 HG23 THR A 68 -39.422 28.200 1.882 1.00 53.01 H new ATOM 1137 N ILE A 69 -35.856 26.561 0.202 1.00 44.50 N ATOM 1138 CA ILE A 69 -34.663 27.290 -0.212 1.00 3.25 C ATOM 1139 C ILE A 69 -34.614 27.450 -1.727 1.00 4.01 C ATOM 1140 O ILE A 69 -34.196 28.489 -2.239 1.00 25.34 O ATOM 1141 CB ILE A 69 -33.378 26.583 0.261 1.00 34.21 C ATOM 1142 CG1 ILE A 69 -32.144 27.369 -0.186 1.00 1.21 C ATOM 1143 CG2 ILE A 69 -33.330 25.160 -0.274 1.00 61.22 C ATOM 1144 CD1 ILE A 69 -30.848 26.835 0.386 1.00 73.34 C ATOM 0 H ILE A 69 -35.668 25.676 0.673 1.00 44.50 H new ATOM 0 HA ILE A 69 -34.718 28.274 0.253 1.00 3.25 H new ATOM 0 HB ILE A 69 -33.383 26.541 1.350 1.00 34.21 H new ATOM 0 HG12 ILE A 69 -32.086 27.351 -1.274 1.00 1.21 H new ATOM 0 HG13 ILE A 69 -32.260 28.412 0.110 1.00 1.21 H new ATOM 0 HG21 ILE A 69 -32.417 24.673 0.068 1.00 61.22 H new ATOM 0 HG22 ILE A 69 -34.195 24.605 0.089 1.00 61.22 H new ATOM 0 HG23 ILE A 69 -33.344 25.180 -1.364 1.00 61.22 H new ATOM 0 HD11 ILE A 69 -30.015 27.440 0.027 1.00 73.34 H new ATOM 0 HD12 ILE A 69 -30.886 26.878 1.474 1.00 73.34 H new ATOM 0 HD13 ILE A 69 -30.709 25.802 0.069 1.00 73.34 H new ATOM 1156 N ARG A 70 -35.044 26.414 -2.440 1.00 50.42 N ATOM 1157 CA ARG A 70 -35.050 26.439 -3.897 1.00 51.15 C ATOM 1158 C ARG A 70 -35.830 27.643 -4.418 1.00 4.53 C ATOM 1159 O ARG A 70 -35.608 28.100 -5.539 1.00 73.20 O ATOM 1160 CB ARG A 70 -35.658 25.148 -4.449 1.00 31.32 C ATOM 1161 CG ARG A 70 -37.173 25.091 -4.336 1.00 54.30 C ATOM 1162 CD ARG A 70 -37.842 25.349 -5.677 1.00 21.30 C ATOM 1163 NE ARG A 70 -38.222 24.108 -6.346 1.00 34.32 N ATOM 1164 CZ ARG A 70 -39.319 23.419 -6.048 1.00 34.21 C ATOM 1165 NH1 ARG A 70 -40.139 23.849 -5.098 1.00 42.32 N ATOM 1166 NH2 ARG A 70 -39.599 22.298 -6.701 1.00 4.52 N ATOM 0 H ARG A 70 -35.393 25.547 -2.032 1.00 50.42 H new ATOM 0 HA ARG A 70 -34.018 26.521 -4.237 1.00 51.15 H new ATOM 0 HB2 ARG A 70 -35.376 25.043 -5.497 1.00 31.32 H new ATOM 0 HB3 ARG A 70 -35.230 24.298 -3.917 1.00 31.32 H new ATOM 0 HG2 ARG A 70 -37.474 24.113 -3.960 1.00 54.30 H new ATOM 0 HG3 ARG A 70 -37.513 25.830 -3.610 1.00 54.30 H new ATOM 0 HD2 ARG A 70 -38.728 25.966 -5.527 1.00 21.30 H new ATOM 0 HD3 ARG A 70 -37.164 25.914 -6.318 1.00 21.30 H new ATOM 0 HE ARG A 70 -37.613 23.750 -7.082 1.00 34.32 H new ATOM 0 HH11 ARG A 70 -39.928 24.710 -4.594 1.00 42.32 H new ATOM 0 HH12 ARG A 70 -40.980 23.318 -4.872 1.00 42.32 H new ATOM 0 HH21 ARG A 70 -38.972 21.964 -7.433 1.00 4.52 H new ATOM 0 HH22 ARG A 70 -40.441 21.771 -6.471 1.00 4.52 H new ATOM 1180 N GLU A 71 -36.742 28.152 -3.595 1.00 4.34 N ATOM 1181 CA GLU A 71 -37.553 29.302 -3.973 1.00 40.33 C ATOM 1182 C GLU A 71 -36.674 30.466 -4.424 1.00 23.21 C ATOM 1183 O GLU A 71 -37.067 31.263 -5.275 1.00 71.04 O ATOM 1184 CB GLU A 71 -38.435 29.740 -2.802 1.00 31.34 C ATOM 1185 CG GLU A 71 -39.479 28.710 -2.408 1.00 32.40 C ATOM 1186 CD GLU A 71 -40.883 29.120 -2.809 1.00 62.44 C ATOM 1187 OE1 GLU A 71 -41.406 30.092 -2.227 1.00 75.15 O ATOM 1188 OE2 GLU A 71 -41.458 28.466 -3.705 1.00 72.14 O ATOM 0 H GLU A 71 -36.937 27.786 -2.663 1.00 4.34 H new ATOM 0 HA GLU A 71 -38.189 29.005 -4.807 1.00 40.33 H new ATOM 0 HB2 GLU A 71 -37.802 29.951 -1.940 1.00 31.34 H new ATOM 0 HB3 GLU A 71 -38.937 30.671 -3.065 1.00 31.34 H new ATOM 0 HG2 GLU A 71 -39.236 27.755 -2.874 1.00 32.40 H new ATOM 0 HG3 GLU A 71 -39.443 28.556 -1.329 1.00 32.40 H new ATOM 1195 N LEU A 72 -35.481 30.555 -3.846 1.00 53.30 N ATOM 1196 CA LEU A 72 -34.544 31.620 -4.187 1.00 34.04 C ATOM 1197 C LEU A 72 -34.306 31.676 -5.692 1.00 74.51 C ATOM 1198 O LEU A 72 -33.893 32.704 -6.228 1.00 71.23 O ATOM 1199 CB LEU A 72 -33.216 31.412 -3.457 1.00 22.54 C ATOM 1200 CG LEU A 72 -32.174 30.563 -4.187 1.00 71.25 C ATOM 1201 CD1 LEU A 72 -32.782 29.244 -4.641 1.00 14.32 C ATOM 1202 CD2 LEU A 72 -31.604 31.326 -5.375 1.00 74.50 C ATOM 0 H LEU A 72 -35.140 29.903 -3.140 1.00 53.30 H new ATOM 0 HA LEU A 72 -34.981 32.568 -3.872 1.00 34.04 H new ATOM 0 HB2 LEU A 72 -32.780 32.390 -3.252 1.00 22.54 H new ATOM 0 HB3 LEU A 72 -33.423 30.947 -2.493 1.00 22.54 H new ATOM 0 HG LEU A 72 -31.361 30.345 -3.495 1.00 71.25 H new ATOM 0 HD11 LEU A 72 -32.026 28.654 -5.158 1.00 14.32 H new ATOM 0 HD12 LEU A 72 -33.142 28.692 -3.773 1.00 14.32 H new ATOM 0 HD13 LEU A 72 -33.614 29.441 -5.317 1.00 14.32 H new ATOM 0 HD21 LEU A 72 -30.864 30.708 -5.883 1.00 74.50 H new ATOM 0 HD22 LEU A 72 -32.408 31.574 -6.068 1.00 74.50 H new ATOM 0 HD23 LEU A 72 -31.131 32.244 -5.025 1.00 74.50 H new ATOM 1214 N TYR A 73 -34.573 30.564 -6.369 1.00 42.33 N ATOM 1215 CA TYR A 73 -34.388 30.486 -7.813 1.00 63.50 C ATOM 1216 C TYR A 73 -35.539 31.165 -8.548 1.00 55.11 C ATOM 1217 O TYR A 73 -35.329 31.883 -9.527 1.00 60.42 O ATOM 1218 CB TYR A 73 -34.277 29.025 -8.256 1.00 54.03 C ATOM 1219 CG TYR A 73 -33.057 28.741 -9.102 1.00 75.44 C ATOM 1220 CD1 TYR A 73 -32.708 29.578 -10.155 1.00 64.12 C ATOM 1221 CD2 TYR A 73 -32.256 27.633 -8.851 1.00 51.22 C ATOM 1222 CE1 TYR A 73 -31.594 29.321 -10.932 1.00 75.54 C ATOM 1223 CE2 TYR A 73 -31.141 27.370 -9.622 1.00 24.12 C ATOM 1224 CZ TYR A 73 -30.814 28.216 -10.662 1.00 14.05 C ATOM 1225 OH TYR A 73 -29.704 27.956 -11.433 1.00 75.10 O ATOM 0 H TYR A 73 -34.918 29.705 -5.941 1.00 42.33 H new ATOM 0 HA TYR A 73 -33.464 31.007 -8.063 1.00 63.50 H new ATOM 0 HB2 TYR A 73 -34.253 28.387 -7.373 1.00 54.03 H new ATOM 0 HB3 TYR A 73 -35.170 28.756 -8.819 1.00 54.03 H new ATOM 0 HD1 TYR A 73 -33.317 30.444 -10.370 1.00 64.12 H new ATOM 0 HD2 TYR A 73 -32.510 26.967 -8.040 1.00 51.22 H new ATOM 0 HE1 TYR A 73 -31.336 29.982 -11.746 1.00 75.54 H new ATOM 0 HE2 TYR A 73 -30.528 26.506 -9.412 1.00 24.12 H new ATOM 0 HH TYR A 73 -29.265 27.142 -11.110 1.00 75.10 H new ATOM 1235 N LEU A 74 -36.756 30.936 -8.067 1.00 2.54 N ATOM 1236 CA LEU A 74 -37.943 31.527 -8.675 1.00 64.43 C ATOM 1237 C LEU A 74 -38.041 33.014 -8.349 1.00 23.03 C ATOM 1238 O LEU A 74 -38.317 33.835 -9.223 1.00 3.53 O ATOM 1239 CB LEU A 74 -39.201 30.803 -8.193 1.00 12.21 C ATOM 1240 CG LEU A 74 -39.320 29.330 -8.584 1.00 73.25 C ATOM 1241 CD1 LEU A 74 -38.876 28.435 -7.438 1.00 12.31 C ATOM 1242 CD2 LEU A 74 -40.748 29.002 -8.996 1.00 72.15 C ATOM 0 H LEU A 74 -36.947 30.345 -7.258 1.00 2.54 H new ATOM 0 HA LEU A 74 -37.859 31.417 -9.756 1.00 64.43 H new ATOM 0 HB2 LEU A 74 -39.243 30.874 -7.106 1.00 12.21 H new ATOM 0 HB3 LEU A 74 -40.071 31.332 -8.581 1.00 12.21 H new ATOM 0 HG LEU A 74 -38.665 29.146 -9.436 1.00 73.25 H new ATOM 0 HD11 LEU A 74 -38.968 27.390 -7.735 1.00 12.31 H new ATOM 0 HD12 LEU A 74 -37.837 28.651 -7.189 1.00 12.31 H new ATOM 0 HD13 LEU A 74 -39.504 28.621 -6.567 1.00 12.31 H new ATOM 0 HD21 LEU A 74 -40.815 27.949 -9.271 1.00 72.15 H new ATOM 0 HD22 LEU A 74 -41.422 29.203 -8.163 1.00 72.15 H new ATOM 0 HD23 LEU A 74 -41.031 29.619 -9.849 1.00 72.15 H new ATOM 1254 N LYS A 75 -37.810 33.352 -7.086 1.00 11.35 N ATOM 1255 CA LYS A 75 -37.868 34.741 -6.642 1.00 62.23 C ATOM 1256 C LYS A 75 -36.570 35.472 -6.971 1.00 61.14 C ATOM 1257 O LYS A 75 -36.535 36.700 -7.026 1.00 63.23 O ATOM 1258 CB LYS A 75 -38.135 34.806 -5.136 1.00 43.25 C ATOM 1259 CG LYS A 75 -39.365 34.029 -4.702 1.00 30.31 C ATOM 1260 CD LYS A 75 -39.864 34.488 -3.342 1.00 25.01 C ATOM 1261 CE LYS A 75 -38.822 34.253 -2.258 1.00 42.31 C ATOM 1262 NZ LYS A 75 -39.412 33.612 -1.051 1.00 70.21 N ATOM 0 H LYS A 75 -37.581 32.684 -6.350 1.00 11.35 H new ATOM 0 HA LYS A 75 -38.685 35.232 -7.171 1.00 62.23 H new ATOM 0 HB2 LYS A 75 -37.265 34.420 -4.604 1.00 43.25 H new ATOM 0 HB3 LYS A 75 -38.252 35.849 -4.841 1.00 43.25 H new ATOM 0 HG2 LYS A 75 -40.156 34.155 -5.442 1.00 30.31 H new ATOM 0 HG3 LYS A 75 -39.130 32.965 -4.664 1.00 30.31 H new ATOM 0 HD2 LYS A 75 -40.115 35.548 -3.384 1.00 25.01 H new ATOM 0 HD3 LYS A 75 -40.780 33.954 -3.090 1.00 25.01 H new ATOM 0 HE2 LYS A 75 -38.025 33.622 -2.651 1.00 42.31 H new ATOM 0 HE3 LYS A 75 -38.368 35.204 -1.979 1.00 42.31 H new ATOM 0 HZ1 LYS A 75 -38.670 33.469 -0.336 1.00 70.21 H new ATOM 0 HZ2 LYS A 75 -40.155 34.226 -0.660 1.00 70.21 H new ATOM 0 HZ3 LYS A 75 -39.823 32.693 -1.312 1.00 70.21 H new ATOM 1276 N GLY A 76 -35.505 34.707 -7.192 1.00 13.11 N ATOM 1277 CA GLY A 76 -34.220 35.299 -7.515 1.00 13.45 C ATOM 1278 C GLY A 76 -33.498 35.821 -6.289 1.00 34.22 C ATOM 1279 O GLY A 76 -32.543 36.590 -6.402 1.00 53.02 O ATOM 0 H GLY A 76 -35.509 33.688 -7.153 1.00 13.11 H new ATOM 0 HA2 GLY A 76 -33.596 34.556 -8.012 1.00 13.45 H new ATOM 0 HA3 GLY A 76 -34.367 36.116 -8.222 1.00 13.45 H new ATOM 1283 N ALA A 77 -33.955 35.404 -5.113 1.00 23.02 N ATOM 1284 CA ALA A 77 -33.345 35.834 -3.860 1.00 72.04 C ATOM 1285 C ALA A 77 -31.877 35.427 -3.796 1.00 52.30 C ATOM 1286 O ALA A 77 -31.387 34.693 -4.655 1.00 43.45 O ATOM 1287 CB ALA A 77 -34.106 35.256 -2.677 1.00 33.34 C ATOM 0 H ALA A 77 -34.745 34.769 -5.001 1.00 23.02 H new ATOM 0 HA ALA A 77 -33.396 36.922 -3.815 1.00 72.04 H new ATOM 0 HB1 ALA A 77 -33.640 35.585 -1.748 1.00 33.34 H new ATOM 0 HB2 ALA A 77 -35.140 35.601 -2.706 1.00 33.34 H new ATOM 0 HB3 ALA A 77 -34.085 34.167 -2.728 1.00 33.34 H new ATOM 1293 N THR A 78 -31.178 35.910 -2.774 1.00 20.33 N ATOM 1294 CA THR A 78 -29.765 35.598 -2.599 1.00 14.33 C ATOM 1295 C THR A 78 -29.531 34.803 -1.320 1.00 61.31 C ATOM 1296 O THR A 78 -30.466 34.531 -0.566 1.00 42.34 O ATOM 1297 CB THR A 78 -28.909 36.879 -2.557 1.00 63.52 C ATOM 1298 OG1 THR A 78 -29.125 37.572 -1.324 1.00 11.21 O ATOM 1299 CG2 THR A 78 -29.245 37.793 -3.725 1.00 21.42 C ATOM 0 H THR A 78 -31.568 36.519 -2.055 1.00 20.33 H new ATOM 0 HA THR A 78 -29.466 34.996 -3.457 1.00 14.33 H new ATOM 0 HB THR A 78 -27.860 36.591 -2.632 1.00 63.52 H new ATOM 0 HG1 THR A 78 -28.576 38.384 -1.304 1.00 11.21 H new ATOM 0 HG21 THR A 78 -28.628 38.690 -3.674 1.00 21.42 H new ATOM 0 HG22 THR A 78 -29.051 37.272 -4.662 1.00 21.42 H new ATOM 0 HG23 THR A 78 -30.297 38.073 -3.677 1.00 21.42 H new ATOM 1307 N VAL A 79 -28.278 34.431 -1.080 1.00 44.33 N ATOM 1308 CA VAL A 79 -27.921 33.667 0.109 1.00 24.13 C ATOM 1309 C VAL A 79 -28.383 34.377 1.377 1.00 22.12 C ATOM 1310 O VAL A 79 -28.705 33.736 2.378 1.00 44.33 O ATOM 1311 CB VAL A 79 -26.400 33.432 0.190 1.00 54.12 C ATOM 1312 CG1 VAL A 79 -26.060 32.542 1.376 1.00 71.41 C ATOM 1313 CG2 VAL A 79 -25.886 32.826 -1.107 1.00 0.45 C ATOM 0 H VAL A 79 -27.492 34.647 -1.694 1.00 44.33 H new ATOM 0 HA VAL A 79 -28.426 32.704 0.030 1.00 24.13 H new ATOM 0 HB VAL A 79 -25.908 34.394 0.335 1.00 54.12 H new ATOM 0 HG11 VAL A 79 -24.982 32.387 1.417 1.00 71.41 H new ATOM 0 HG12 VAL A 79 -26.393 33.020 2.297 1.00 71.41 H new ATOM 0 HG13 VAL A 79 -26.561 31.580 1.265 1.00 71.41 H new ATOM 0 HG21 VAL A 79 -24.810 32.667 -1.033 1.00 0.45 H new ATOM 0 HG22 VAL A 79 -26.383 31.872 -1.285 1.00 0.45 H new ATOM 0 HG23 VAL A 79 -26.096 33.504 -1.934 1.00 0.45 H new ATOM 1323 N TYR A 80 -28.413 35.704 1.327 1.00 12.13 N ATOM 1324 CA TYR A 80 -28.834 36.502 2.473 1.00 25.40 C ATOM 1325 C TYR A 80 -30.343 36.408 2.678 1.00 44.33 C ATOM 1326 O TYR A 80 -30.842 36.600 3.786 1.00 22.43 O ATOM 1327 CB TYR A 80 -28.423 37.963 2.281 1.00 14.24 C ATOM 1328 CG TYR A 80 -28.449 38.771 3.559 1.00 50.35 C ATOM 1329 CD1 TYR A 80 -29.648 39.239 4.083 1.00 33.15 C ATOM 1330 CD2 TYR A 80 -27.276 39.069 4.240 1.00 13.25 C ATOM 1331 CE1 TYR A 80 -29.677 39.979 5.250 1.00 14.12 C ATOM 1332 CE2 TYR A 80 -27.295 39.807 5.409 1.00 55.25 C ATOM 1333 CZ TYR A 80 -28.498 40.260 5.909 1.00 61.52 C ATOM 1334 OH TYR A 80 -28.522 40.996 7.071 1.00 10.30 O ATOM 0 H TYR A 80 -28.151 36.250 0.506 1.00 12.13 H new ATOM 0 HA TYR A 80 -28.341 36.106 3.361 1.00 25.40 H new ATOM 0 HB2 TYR A 80 -27.418 37.997 1.860 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -29.089 38.427 1.554 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -30.573 39.021 3.570 1.00 33.15 H new ATOM 0 HD2 TYR A 80 -26.332 38.718 3.850 1.00 13.25 H new ATOM 0 HE1 TYR A 80 -30.617 40.335 5.644 1.00 14.12 H new ATOM 0 HE2 TYR A 80 -26.374 40.027 5.927 1.00 55.25 H new ATOM 0 HH TYR A 80 -27.608 41.104 7.409 1.00 10.30 H new ATOM 1344 N GLU A 81 -31.062 36.112 1.600 1.00 22.44 N ATOM 1345 CA GLU A 81 -32.514 35.993 1.661 1.00 24.50 C ATOM 1346 C GLU A 81 -32.925 34.661 2.283 1.00 60.03 C ATOM 1347 O GLU A 81 -33.713 34.623 3.228 1.00 61.21 O ATOM 1348 CB GLU A 81 -33.117 36.122 0.260 1.00 34.02 C ATOM 1349 CG GLU A 81 -33.103 37.542 -0.279 1.00 14.42 C ATOM 1350 CD GLU A 81 -34.191 38.408 0.328 1.00 65.32 C ATOM 1351 OE1 GLU A 81 -34.014 38.861 1.478 1.00 12.11 O ATOM 1352 OE2 GLU A 81 -35.218 38.632 -0.346 1.00 25.42 O ATOM 0 H GLU A 81 -30.663 35.950 0.675 1.00 22.44 H new ATOM 0 HA GLU A 81 -32.894 36.800 2.288 1.00 24.50 H new ATOM 0 HB2 GLU A 81 -32.566 35.477 -0.424 1.00 34.02 H new ATOM 0 HB3 GLU A 81 -34.145 35.760 0.281 1.00 34.02 H new ATOM 0 HG2 GLU A 81 -32.131 37.993 -0.079 1.00 14.42 H new ATOM 0 HG3 GLU A 81 -33.226 37.517 -1.362 1.00 14.42 H new ATOM 1359 N ILE A 82 -32.386 33.572 1.744 1.00 73.32 N ATOM 1360 CA ILE A 82 -32.697 32.239 2.246 1.00 43.45 C ATOM 1361 C ILE A 82 -32.441 32.143 3.747 1.00 51.04 C ATOM 1362 O ILE A 82 -33.115 31.394 4.454 1.00 44.33 O ATOM 1363 CB ILE A 82 -31.867 31.160 1.526 1.00 70.14 C ATOM 1364 CG1 ILE A 82 -30.380 31.519 1.561 1.00 14.42 C ATOM 1365 CG2 ILE A 82 -32.343 30.995 0.091 1.00 53.11 C ATOM 1366 CD1 ILE A 82 -29.494 30.497 0.885 1.00 21.24 C ATOM 0 H ILE A 82 -31.733 33.587 0.961 1.00 73.32 H new ATOM 0 HA ILE A 82 -33.755 32.066 2.048 1.00 43.45 H new ATOM 0 HB ILE A 82 -32.004 30.212 2.046 1.00 70.14 H new ATOM 0 HG12 ILE A 82 -30.237 32.486 1.080 1.00 14.42 H new ATOM 0 HG13 ILE A 82 -30.066 31.630 2.599 1.00 14.42 H new ATOM 0 HG21 ILE A 82 -31.746 30.229 -0.404 1.00 53.11 H new ATOM 0 HG22 ILE A 82 -33.392 30.697 0.087 1.00 53.11 H new ATOM 0 HG23 ILE A 82 -32.233 31.941 -0.440 1.00 53.11 H new ATOM 0 HD11 ILE A 82 -28.454 30.818 0.949 1.00 21.24 H new ATOM 0 HD12 ILE A 82 -29.607 29.533 1.380 1.00 21.24 H new ATOM 0 HD13 ILE A 82 -29.781 30.403 -0.162 1.00 21.24 H new ATOM 1378 N ALA A 83 -31.466 32.909 4.225 1.00 24.40 N ATOM 1379 CA ALA A 83 -31.125 32.913 5.642 1.00 43.41 C ATOM 1380 C ALA A 83 -32.350 33.205 6.502 1.00 51.13 C ATOM 1381 O ALA A 83 -32.603 32.520 7.493 1.00 4.34 O ATOM 1382 CB ALA A 83 -30.030 33.934 5.918 1.00 41.03 C ATOM 0 H ALA A 83 -30.899 33.534 3.652 1.00 24.40 H new ATOM 0 HA ALA A 83 -30.758 31.921 5.904 1.00 43.41 H new ATOM 0 HB1 ALA A 83 -29.785 33.927 6.980 1.00 41.03 H new ATOM 0 HB2 ALA A 83 -29.142 33.681 5.339 1.00 41.03 H new ATOM 0 HB3 ALA A 83 -30.378 34.927 5.633 1.00 41.03 H new ATOM 1388 N ARG A 84 -33.109 34.225 6.114 1.00 12.05 N ATOM 1389 CA ARG A 84 -34.308 34.608 6.851 1.00 54.11 C ATOM 1390 C ARG A 84 -35.430 33.598 6.627 1.00 72.23 C ATOM 1391 O ARG A 84 -36.286 33.405 7.489 1.00 0.21 O ATOM 1392 CB ARG A 84 -34.770 36.003 6.426 1.00 31.10 C ATOM 1393 CG ARG A 84 -34.329 37.106 7.374 1.00 14.11 C ATOM 1394 CD ARG A 84 -33.315 38.030 6.720 1.00 21.12 C ATOM 1395 NE ARG A 84 -32.445 38.672 7.703 1.00 52.31 N ATOM 1396 CZ ARG A 84 -32.851 39.630 8.527 1.00 13.44 C ATOM 1397 NH1 ARG A 84 -34.106 40.056 8.489 1.00 51.53 N ATOM 1398 NH2 ARG A 84 -32.001 40.165 9.394 1.00 4.54 N ATOM 0 H ARG A 84 -32.915 34.801 5.294 1.00 12.05 H new ATOM 0 HA ARG A 84 -34.062 34.622 7.913 1.00 54.11 H new ATOM 0 HB2 ARG A 84 -34.384 36.216 5.429 1.00 31.10 H new ATOM 0 HB3 ARG A 84 -35.858 36.010 6.355 1.00 31.10 H new ATOM 0 HG2 ARG A 84 -35.197 37.683 7.691 1.00 14.11 H new ATOM 0 HG3 ARG A 84 -33.895 36.664 8.271 1.00 14.11 H new ATOM 0 HD2 ARG A 84 -32.708 37.461 6.015 1.00 21.12 H new ATOM 0 HD3 ARG A 84 -33.839 38.794 6.145 1.00 21.12 H new ATOM 0 HE ARG A 84 -31.473 38.367 7.759 1.00 52.31 H new ATOM 0 HH11 ARG A 84 -34.763 39.647 7.825 1.00 51.53 H new ATOM 0 HH12 ARG A 84 -34.414 40.792 9.124 1.00 51.53 H new ATOM 0 HH21 ARG A 84 -31.035 39.840 9.428 1.00 4.54 H new ATOM 0 HH22 ARG A 84 -32.314 40.901 10.027 1.00 4.54 H new ATOM 1412 N GLN A 85 -35.419 32.959 5.461 1.00 24.55 N ATOM 1413 CA GLN A 85 -36.436 31.970 5.124 1.00 44.23 C ATOM 1414 C GLN A 85 -36.277 30.713 5.972 1.00 44.33 C ATOM 1415 O GLN A 85 -37.210 30.291 6.657 1.00 5.22 O ATOM 1416 CB GLN A 85 -36.354 31.611 3.638 1.00 33.14 C ATOM 1417 CG GLN A 85 -37.481 30.704 3.170 1.00 44.24 C ATOM 1418 CD GLN A 85 -38.540 31.449 2.382 1.00 22.22 C ATOM 1419 OE1 GLN A 85 -38.842 31.098 1.241 1.00 33.51 O ATOM 1420 NE2 GLN A 85 -39.110 32.483 2.988 1.00 55.05 N ATOM 0 H GLN A 85 -34.718 33.108 4.735 1.00 24.55 H new ATOM 0 HA GLN A 85 -37.413 32.405 5.333 1.00 44.23 H new ATOM 0 HB2 GLN A 85 -36.368 32.528 3.049 1.00 33.14 H new ATOM 0 HB3 GLN A 85 -35.400 31.122 3.443 1.00 33.14 H new ATOM 0 HG2 GLN A 85 -37.068 29.906 2.552 1.00 44.24 H new ATOM 0 HG3 GLN A 85 -37.944 30.230 4.035 1.00 44.24 H new ATOM 0 HE21 GLN A 85 -38.828 32.738 3.935 1.00 55.05 H new ATOM 0 HE22 GLN A 85 -39.830 33.023 2.507 1.00 55.05 H new ATOM 1429 N LEU A 86 -35.090 30.118 5.923 1.00 64.14 N ATOM 1430 CA LEU A 86 -34.808 28.907 6.687 1.00 41.12 C ATOM 1431 C LEU A 86 -34.771 29.204 8.182 1.00 14.23 C ATOM 1432 O LEU A 86 -34.883 28.300 9.008 1.00 24.34 O ATOM 1433 CB LEU A 86 -33.477 28.298 6.243 1.00 43.42 C ATOM 1434 CG LEU A 86 -33.549 27.293 5.092 1.00 11.42 C ATOM 1435 CD1 LEU A 86 -34.437 26.117 5.466 1.00 21.11 C ATOM 1436 CD2 LEU A 86 -34.057 27.967 3.827 1.00 55.24 C ATOM 0 H LEU A 86 -34.307 30.454 5.362 1.00 64.14 H new ATOM 0 HA LEU A 86 -35.608 28.192 6.497 1.00 41.12 H new ATOM 0 HB2 LEU A 86 -32.809 29.108 5.950 1.00 43.42 H new ATOM 0 HB3 LEU A 86 -33.022 27.805 7.102 1.00 43.42 H new ATOM 0 HG LEU A 86 -32.544 26.916 4.900 1.00 11.42 H new ATOM 0 HD11 LEU A 86 -34.477 25.412 4.635 1.00 21.11 H new ATOM 0 HD12 LEU A 86 -34.029 25.619 6.346 1.00 21.11 H new ATOM 0 HD13 LEU A 86 -35.443 26.476 5.686 1.00 21.11 H new ATOM 0 HD21 LEU A 86 -34.102 27.237 3.019 1.00 55.24 H new ATOM 0 HD22 LEU A 86 -35.053 28.372 4.006 1.00 55.24 H new ATOM 0 HD23 LEU A 86 -33.381 28.775 3.549 1.00 55.24 H new ATOM 1448 N GLY A 87 -34.614 30.480 8.523 1.00 0.21 N ATOM 1449 CA GLY A 87 -34.567 30.874 9.919 1.00 14.33 C ATOM 1450 C GLY A 87 -33.172 30.770 10.505 1.00 74.40 C ATOM 1451 O GLY A 87 -33.008 30.682 11.722 1.00 50.12 O ATOM 0 H GLY A 87 -34.519 31.247 7.858 1.00 0.21 H new ATOM 0 HA2 GLY A 87 -34.923 31.900 10.016 1.00 14.33 H new ATOM 0 HA3 GLY A 87 -35.247 30.245 10.494 1.00 14.33 H new ATOM 1455 N ARG A 88 -32.167 30.778 9.637 1.00 41.22 N ATOM 1456 CA ARG A 88 -30.779 30.682 10.074 1.00 33.41 C ATOM 1457 C ARG A 88 -30.018 31.965 9.756 1.00 25.13 C ATOM 1458 O ARG A 88 -30.346 32.695 8.821 1.00 73.14 O ATOM 1459 CB ARG A 88 -30.093 29.490 9.404 1.00 21.35 C ATOM 1460 CG ARG A 88 -30.883 28.195 9.507 1.00 33.10 C ATOM 1461 CD ARG A 88 -30.872 27.647 10.925 1.00 24.13 C ATOM 1462 NE ARG A 88 -32.180 27.756 11.566 1.00 42.50 N ATOM 1463 CZ ARG A 88 -32.459 27.245 12.759 1.00 21.43 C ATOM 1464 NH1 ARG A 88 -31.526 26.591 13.438 1.00 34.34 N ATOM 1465 NH2 ARG A 88 -33.673 27.386 13.275 1.00 32.02 N ATOM 0 H ARG A 88 -32.287 30.850 8.627 1.00 41.22 H new ATOM 0 HA ARG A 88 -30.774 30.536 11.154 1.00 33.41 H new ATOM 0 HB2 ARG A 88 -29.927 29.722 8.352 1.00 21.35 H new ATOM 0 HB3 ARG A 88 -29.112 29.344 9.857 1.00 21.35 H new ATOM 0 HG2 ARG A 88 -31.912 28.369 9.191 1.00 33.10 H new ATOM 0 HG3 ARG A 88 -30.461 27.455 8.827 1.00 33.10 H new ATOM 0 HD2 ARG A 88 -30.564 26.602 10.907 1.00 24.13 H new ATOM 0 HD3 ARG A 88 -30.133 28.187 11.516 1.00 24.13 H new ATOM 0 HE ARG A 88 -32.920 28.252 11.069 1.00 42.50 H new ATOM 0 HH11 ARG A 88 -30.592 26.480 13.044 1.00 34.34 H new ATOM 0 HH12 ARG A 88 -31.743 26.199 14.355 1.00 34.34 H new ATOM 0 HH21 ARG A 88 -34.393 27.887 12.755 1.00 32.02 H new ATOM 0 HH22 ARG A 88 -33.886 26.993 14.192 1.00 32.02 H new ATOM 1479 N PRO A 89 -28.977 32.249 10.553 1.00 42.33 N ATOM 1480 CA PRO A 89 -28.147 33.445 10.376 1.00 61.23 C ATOM 1481 C PRO A 89 -27.290 33.374 9.117 1.00 55.43 C ATOM 1482 O PRO A 89 -27.289 34.299 8.305 1.00 72.44 O ATOM 1483 CB PRO A 89 -27.262 33.450 11.626 1.00 53.35 C ATOM 1484 CG PRO A 89 -27.199 32.025 12.051 1.00 30.23 C ATOM 1485 CD PRO A 89 -28.529 31.424 11.687 1.00 12.35 C ATOM 0 HA PRO A 89 -28.749 34.346 10.259 1.00 61.23 H new ATOM 0 HB2 PRO A 89 -26.269 33.842 11.406 1.00 53.35 H new ATOM 0 HB3 PRO A 89 -27.686 34.078 12.409 1.00 53.35 H new ATOM 0 HG2 PRO A 89 -26.385 31.504 11.548 1.00 30.23 H new ATOM 0 HG3 PRO A 89 -27.015 31.945 13.122 1.00 30.23 H new ATOM 0 HD2 PRO A 89 -28.433 30.375 11.407 1.00 12.35 H new ATOM 0 HD3 PRO A 89 -29.232 31.469 12.519 1.00 12.35 H new ATOM 1493 N GLU A 90 -26.563 32.272 8.962 1.00 2.31 N ATOM 1494 CA GLU A 90 -25.702 32.084 7.801 1.00 22.21 C ATOM 1495 C GLU A 90 -24.917 30.780 7.911 1.00 30.45 C ATOM 1496 O GLU A 90 -24.712 30.079 6.920 1.00 41.13 O ATOM 1497 CB GLU A 90 -24.736 33.262 7.657 1.00 73.22 C ATOM 1498 CG GLU A 90 -24.117 33.705 8.972 1.00 20.53 C ATOM 1499 CD GLU A 90 -22.611 33.858 8.885 1.00 0.23 C ATOM 1500 OE1 GLU A 90 -22.149 34.838 8.264 1.00 41.11 O ATOM 1501 OE2 GLU A 90 -21.895 32.998 9.440 1.00 52.40 O ATOM 0 H GLU A 90 -26.553 31.497 9.625 1.00 2.31 H new ATOM 0 HA GLU A 90 -26.336 32.033 6.916 1.00 22.21 H new ATOM 0 HB2 GLU A 90 -23.940 32.986 6.965 1.00 73.22 H new ATOM 0 HB3 GLU A 90 -25.267 34.104 7.213 1.00 73.22 H new ATOM 0 HG2 GLU A 90 -24.558 34.654 9.275 1.00 20.53 H new ATOM 0 HG3 GLU A 90 -24.361 32.978 9.747 1.00 20.53 H new ATOM 1508 N SER A 91 -24.481 30.459 9.125 1.00 2.33 N ATOM 1509 CA SER A 91 -23.716 29.242 9.367 1.00 45.52 C ATOM 1510 C SER A 91 -24.431 28.027 8.786 1.00 23.33 C ATOM 1511 O SER A 91 -23.859 27.270 8.000 1.00 2.11 O ATOM 1512 CB SER A 91 -23.488 29.046 10.867 1.00 51.33 C ATOM 1513 OG SER A 91 -22.224 28.456 11.118 1.00 12.33 O ATOM 0 H SER A 91 -24.645 31.026 9.957 1.00 2.33 H new ATOM 0 HA SER A 91 -22.751 29.345 8.872 1.00 45.52 H new ATOM 0 HB2 SER A 91 -23.552 30.008 11.376 1.00 51.33 H new ATOM 0 HB3 SER A 91 -24.276 28.415 11.278 1.00 51.33 H new ATOM 0 HG SER A 91 -22.102 28.343 12.084 1.00 12.33 H new ATOM 1519 N THR A 92 -25.689 27.844 9.180 1.00 44.32 N ATOM 1520 CA THR A 92 -26.483 26.720 8.701 1.00 22.31 C ATOM 1521 C THR A 92 -26.592 26.732 7.180 1.00 55.13 C ATOM 1522 O THR A 92 -26.327 25.727 6.521 1.00 22.22 O ATOM 1523 CB THR A 92 -27.899 26.736 9.305 1.00 33.23 C ATOM 1524 OG1 THR A 92 -27.824 26.927 10.723 1.00 33.12 O ATOM 1525 CG2 THR A 92 -28.633 25.438 9.002 1.00 45.31 C ATOM 0 H THR A 92 -26.178 28.460 9.829 1.00 44.32 H new ATOM 0 HA THR A 92 -25.970 25.812 9.019 1.00 22.31 H new ATOM 0 HB THR A 92 -28.452 27.561 8.855 1.00 33.23 H new ATOM 0 HG1 THR A 92 -28.369 26.249 11.174 1.00 33.12 H new ATOM 0 HG21 THR A 92 -29.631 25.474 9.439 1.00 45.31 H new ATOM 0 HG22 THR A 92 -28.714 25.309 7.923 1.00 45.31 H new ATOM 0 HG23 THR A 92 -28.081 24.600 9.427 1.00 45.31 H new ATOM 1533 N ILE A 93 -26.984 27.876 6.629 1.00 41.54 N ATOM 1534 CA ILE A 93 -27.126 28.018 5.185 1.00 42.03 C ATOM 1535 C ILE A 93 -25.843 27.621 4.464 1.00 4.24 C ATOM 1536 O ILE A 93 -25.871 26.853 3.502 1.00 45.14 O ATOM 1537 CB ILE A 93 -27.494 29.462 4.796 1.00 43.12 C ATOM 1538 CG1 ILE A 93 -28.820 29.867 5.444 1.00 61.04 C ATOM 1539 CG2 ILE A 93 -27.575 29.598 3.283 1.00 70.24 C ATOM 1540 CD1 ILE A 93 -30.005 29.072 4.943 1.00 44.23 C ATOM 0 H ILE A 93 -27.209 28.717 7.160 1.00 41.54 H new ATOM 0 HA ILE A 93 -27.932 27.351 4.880 1.00 42.03 H new ATOM 0 HB ILE A 93 -26.714 30.130 5.161 1.00 43.12 H new ATOM 0 HG12 ILE A 93 -28.740 29.743 6.524 1.00 61.04 H new ATOM 0 HG13 ILE A 93 -28.998 30.926 5.257 1.00 61.04 H new ATOM 0 HG21 ILE A 93 -27.836 30.624 3.023 1.00 70.24 H new ATOM 0 HG22 ILE A 93 -26.610 29.347 2.843 1.00 70.24 H new ATOM 0 HG23 ILE A 93 -28.337 28.921 2.897 1.00 70.24 H new ATOM 0 HD11 ILE A 93 -30.910 29.413 5.445 1.00 44.23 H new ATOM 0 HD12 ILE A 93 -30.111 29.215 3.868 1.00 44.23 H new ATOM 0 HD13 ILE A 93 -29.849 28.014 5.154 1.00 44.23 H new ATOM 1552 N TYR A 94 -24.718 28.146 4.937 1.00 34.03 N ATOM 1553 CA TYR A 94 -23.423 27.846 4.338 1.00 52.31 C ATOM 1554 C TYR A 94 -23.139 26.348 4.375 1.00 61.32 C ATOM 1555 O TYR A 94 -22.620 25.780 3.414 1.00 23.42 O ATOM 1556 CB TYR A 94 -22.312 28.605 5.067 1.00 71.03 C ATOM 1557 CG TYR A 94 -21.618 29.636 4.206 1.00 12.25 C ATOM 1558 CD1 TYR A 94 -20.522 29.293 3.424 1.00 15.23 C ATOM 1559 CD2 TYR A 94 -22.057 30.953 4.175 1.00 14.40 C ATOM 1560 CE1 TYR A 94 -19.884 30.232 2.638 1.00 43.03 C ATOM 1561 CE2 TYR A 94 -21.427 31.899 3.390 1.00 43.51 C ATOM 1562 CZ TYR A 94 -20.341 31.533 2.623 1.00 44.51 C ATOM 1563 OH TYR A 94 -19.708 32.472 1.840 1.00 74.52 O ATOM 0 H TYR A 94 -24.677 28.782 5.734 1.00 34.03 H new ATOM 0 HA TYR A 94 -23.450 28.166 3.297 1.00 52.31 H new ATOM 0 HB2 TYR A 94 -22.735 29.099 5.942 1.00 71.03 H new ATOM 0 HB3 TYR A 94 -21.573 27.891 5.430 1.00 71.03 H new ATOM 0 HD1 TYR A 94 -20.163 28.274 3.431 1.00 15.23 H new ATOM 0 HD2 TYR A 94 -22.906 31.243 4.776 1.00 14.40 H new ATOM 0 HE1 TYR A 94 -19.032 29.949 2.038 1.00 43.03 H new ATOM 0 HE2 TYR A 94 -21.783 32.919 3.377 1.00 43.51 H new ATOM 0 HH TYR A 94 -20.155 33.338 1.943 1.00 74.52 H new