USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 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 -33:sc= 0.176 USER MOD Set 1.2: A 30 ASN : amide:sc= -4.34! C(o=-4.2!,f=-2.9!) 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+ 180:sc= 0 (180deg=0) 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= -0.0248 X(o=-0.025,f=-0.17) 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= 0.0815 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 12:sc= 0.536 USER MOD Single : A 68 THR OG1 : rot 76:sc= 0.141 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= -0.405 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.17) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -110:sc= -1.07 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.433 4.025 -3.554 1.00 34.51 N ATOM 178 CA LYS A 13 -0.732 4.554 -4.879 1.00 2.21 C ATOM 179 C LYS A 13 -0.936 3.425 -5.883 1.00 73.44 C ATOM 180 O LYS A 13 -1.701 3.560 -6.840 1.00 65.03 O ATOM 181 CB LYS A 13 0.397 5.473 -5.350 1.00 14.11 C ATOM 182 CG LYS A 13 0.308 5.840 -6.822 1.00 55.13 C ATOM 183 CD LYS A 13 1.481 6.705 -7.253 1.00 51.31 C ATOM 184 CE LYS A 13 1.250 7.311 -8.629 1.00 25.01 C ATOM 185 NZ LYS A 13 2.496 7.325 -9.445 1.00 2.44 N ATOM 0 HA LYS A 13 -1.656 5.128 -4.813 1.00 2.21 H new ATOM 0 HB2 LYS A 13 0.383 6.386 -4.755 1.00 14.11 H new ATOM 0 HB3 LYS A 13 1.354 4.985 -5.163 1.00 14.11 H new ATOM 0 HG2 LYS A 13 0.284 4.931 -7.424 1.00 55.13 H new ATOM 0 HG3 LYS A 13 -0.625 6.371 -7.010 1.00 55.13 H new ATOM 0 HD2 LYS A 13 1.634 7.501 -6.525 1.00 51.31 H new ATOM 0 HD3 LYS A 13 2.391 6.105 -7.266 1.00 51.31 H new ATOM 0 HE2 LYS A 13 0.480 6.743 -9.151 1.00 25.01 H new ATOM 0 HE3 LYS A 13 0.876 8.329 -8.519 1.00 25.01 H new ATOM 0 HZ1 LYS A 13 2.297 7.745 -10.375 1.00 2.44 H new ATOM 0 HZ2 LYS A 13 3.223 7.888 -8.959 1.00 2.44 H new ATOM 0 HZ3 LYS A 13 2.839 6.351 -9.571 1.00 2.44 H new ATOM 199 N LEU A 14 -0.249 2.310 -5.660 1.00 34.24 N ATOM 200 CA LEU A 14 -0.355 1.155 -6.546 1.00 30.31 C ATOM 201 C LEU A 14 -1.699 0.455 -6.368 1.00 62.51 C ATOM 202 O LEU A 14 -2.425 0.228 -7.336 1.00 11.34 O ATOM 203 CB LEU A 14 0.785 0.173 -6.273 1.00 73.25 C ATOM 204 CG LEU A 14 2.020 0.316 -7.163 1.00 74.32 C ATOM 205 CD1 LEU A 14 1.713 -0.144 -8.580 1.00 70.12 C ATOM 206 CD2 LEU A 14 2.515 1.755 -7.163 1.00 72.50 C ATOM 0 H LEU A 14 0.387 2.181 -4.873 1.00 34.24 H new ATOM 0 HA LEU A 14 -0.283 1.508 -7.575 1.00 30.31 H new ATOM 0 HB2 LEU A 14 1.095 0.287 -5.234 1.00 73.25 H new ATOM 0 HB3 LEU A 14 0.399 -0.841 -6.381 1.00 73.25 H new ATOM 0 HG LEU A 14 2.809 -0.318 -6.760 1.00 74.32 H new ATOM 0 HD11 LEU A 14 2.604 -0.035 -9.199 1.00 70.12 H new ATOM 0 HD12 LEU A 14 1.408 -1.190 -8.565 1.00 70.12 H new ATOM 0 HD13 LEU A 14 0.907 0.463 -8.993 1.00 70.12 H new ATOM 0 HD21 LEU A 14 3.394 1.837 -7.802 1.00 72.50 H new ATOM 0 HD22 LEU A 14 1.730 2.410 -7.541 1.00 72.50 H new ATOM 0 HD23 LEU A 14 2.776 2.050 -6.147 1.00 72.50 H new ATOM 218 N TYR A 15 -2.023 0.116 -5.124 1.00 54.24 N ATOM 219 CA TYR A 15 -3.279 -0.558 -4.820 1.00 15.25 C ATOM 220 C TYR A 15 -4.465 0.219 -5.381 1.00 0.24 C ATOM 221 O TYR A 15 -5.268 -0.316 -6.146 1.00 41.25 O ATOM 222 CB TYR A 15 -3.436 -0.730 -3.308 1.00 31.21 C ATOM 223 CG TYR A 15 -4.776 -1.299 -2.899 1.00 13.25 C ATOM 224 CD1 TYR A 15 -5.873 -0.470 -2.698 1.00 65.42 C ATOM 225 CD2 TYR A 15 -4.946 -2.666 -2.714 1.00 42.02 C ATOM 226 CE1 TYR A 15 -7.099 -0.985 -2.323 1.00 41.13 C ATOM 227 CE2 TYR A 15 -6.168 -3.190 -2.342 1.00 5.24 C ATOM 228 CZ TYR A 15 -7.241 -2.345 -2.147 1.00 11.35 C ATOM 229 OH TYR A 15 -8.461 -2.863 -1.775 1.00 2.41 O ATOM 0 H TYR A 15 -1.433 0.297 -4.312 1.00 54.24 H new ATOM 0 HA TYR A 15 -3.258 -1.541 -5.291 1.00 15.25 H new ATOM 0 HB2 TYR A 15 -2.646 -1.385 -2.941 1.00 31.21 H new ATOM 0 HB3 TYR A 15 -3.299 0.237 -2.825 1.00 31.21 H new ATOM 0 HD1 TYR A 15 -5.765 0.596 -2.837 1.00 65.42 H new ATOM 0 HD2 TYR A 15 -4.107 -3.330 -2.864 1.00 42.02 H new ATOM 0 HE1 TYR A 15 -7.941 -0.326 -2.169 1.00 41.13 H new ATOM 0 HE2 TYR A 15 -6.283 -4.255 -2.204 1.00 5.24 H new ATOM 0 HH TYR A 15 -8.392 -3.837 -1.695 1.00 2.41 H new ATOM 239 N LYS A 16 -4.570 1.485 -4.994 1.00 2.51 N ATOM 240 CA LYS A 16 -5.657 2.341 -5.458 1.00 73.24 C ATOM 241 C LYS A 16 -5.637 2.468 -6.978 1.00 24.30 C ATOM 242 O LYS A 16 -6.676 2.671 -7.607 1.00 62.22 O ATOM 243 CB LYS A 16 -5.551 3.727 -4.817 1.00 54.11 C ATOM 244 CG LYS A 16 -4.632 4.676 -5.569 1.00 31.15 C ATOM 245 CD LYS A 16 -4.145 5.803 -4.675 1.00 71.04 C ATOM 246 CE LYS A 16 -3.428 6.879 -5.476 1.00 12.30 C ATOM 247 NZ LYS A 16 -4.150 8.181 -5.426 1.00 23.20 N ATOM 0 H LYS A 16 -3.915 1.942 -4.359 1.00 2.51 H new ATOM 0 HA LYS A 16 -6.600 1.882 -5.162 1.00 73.24 H new ATOM 0 HB2 LYS A 16 -6.546 4.168 -4.758 1.00 54.11 H new ATOM 0 HB3 LYS A 16 -5.190 3.619 -3.794 1.00 54.11 H new ATOM 0 HG2 LYS A 16 -3.777 4.124 -5.959 1.00 31.15 H new ATOM 0 HG3 LYS A 16 -5.160 5.093 -6.427 1.00 31.15 H new ATOM 0 HD2 LYS A 16 -4.992 6.243 -4.149 1.00 71.04 H new ATOM 0 HD3 LYS A 16 -3.472 5.403 -3.917 1.00 71.04 H new ATOM 0 HE2 LYS A 16 -2.418 7.009 -5.087 1.00 12.30 H new ATOM 0 HE3 LYS A 16 -3.332 6.557 -6.513 1.00 12.30 H new ATOM 0 HZ1 LYS A 16 -3.630 8.888 -5.984 1.00 23.20 H new ATOM 0 HZ2 LYS A 16 -5.105 8.064 -5.820 1.00 23.20 H new ATOM 0 HZ3 LYS A 16 -4.220 8.502 -4.439 1.00 23.20 H new ATOM 261 N ASP A 17 -4.450 2.347 -7.562 1.00 42.31 N ATOM 262 CA ASP A 17 -4.296 2.446 -9.009 1.00 11.11 C ATOM 263 C ASP A 17 -4.837 1.198 -9.700 1.00 62.33 C ATOM 264 O ASP A 17 -5.141 1.218 -10.891 1.00 10.20 O ATOM 265 CB ASP A 17 -2.825 2.650 -9.374 1.00 1.23 C ATOM 266 CG ASP A 17 -2.452 4.116 -9.477 1.00 71.21 C ATOM 267 OD1 ASP A 17 -3.008 4.925 -8.706 1.00 15.51 O ATOM 268 OD2 ASP A 17 -1.604 4.454 -10.329 1.00 41.23 O ATOM 0 H ASP A 17 -3.580 2.180 -7.056 1.00 42.31 H new ATOM 0 HA ASP A 17 -4.870 3.307 -9.353 1.00 11.11 H new ATOM 0 HB2 ASP A 17 -2.197 2.170 -8.623 1.00 1.23 H new ATOM 0 HB3 ASP A 17 -2.618 2.158 -10.324 1.00 1.23 H new ATOM 273 N GLY A 18 -4.950 0.111 -8.942 1.00 50.51 N ATOM 274 CA GLY A 18 -5.452 -1.131 -9.499 1.00 1.14 C ATOM 275 C GLY A 18 -4.409 -2.230 -9.501 1.00 63.42 C ATOM 276 O GLY A 18 -4.200 -2.898 -10.513 1.00 15.42 O ATOM 0 H GLY A 18 -4.703 0.069 -7.953 1.00 50.51 H new ATOM 0 HA2 GLY A 18 -6.319 -1.458 -8.925 1.00 1.14 H new ATOM 0 HA3 GLY A 18 -5.793 -0.956 -10.520 1.00 1.14 H new ATOM 280 N VAL A 19 -3.747 -2.417 -8.363 1.00 31.14 N ATOM 281 CA VAL A 19 -2.717 -3.443 -8.236 1.00 1.34 C ATOM 282 C VAL A 19 -3.053 -4.423 -7.119 1.00 25.24 C ATOM 283 O VAL A 19 -3.426 -4.037 -6.011 1.00 22.12 O ATOM 284 CB VAL A 19 -1.337 -2.819 -7.960 1.00 21.41 C ATOM 285 CG1 VAL A 19 -0.266 -3.899 -7.899 1.00 10.21 C ATOM 286 CG2 VAL A 19 -1.000 -1.781 -9.020 1.00 72.24 C ATOM 0 H VAL A 19 -3.905 -1.872 -7.516 1.00 31.14 H new ATOM 0 HA VAL A 19 -2.683 -3.978 -9.185 1.00 1.34 H new ATOM 0 HB VAL A 19 -1.370 -2.318 -6.992 1.00 21.41 H new ATOM 0 HG11 VAL A 19 0.703 -3.440 -7.703 1.00 10.21 H new ATOM 0 HG12 VAL A 19 -0.503 -4.602 -7.100 1.00 10.21 H new ATOM 0 HG13 VAL A 19 -0.230 -4.430 -8.850 1.00 10.21 H new ATOM 0 HG21 VAL A 19 -0.021 -1.350 -8.809 1.00 72.24 H new ATOM 0 HG22 VAL A 19 -0.984 -2.255 -10.001 1.00 72.24 H new ATOM 0 HG23 VAL A 19 -1.753 -0.993 -9.010 1.00 72.24 H new ATOM 296 N PRO A 20 -2.918 -5.725 -7.413 1.00 51.43 N ATOM 297 CA PRO A 20 -3.200 -6.789 -6.445 1.00 12.11 C ATOM 298 C PRO A 20 -2.174 -6.837 -5.319 1.00 71.02 C ATOM 299 O PRO A 20 -1.012 -6.474 -5.509 1.00 12.21 O ATOM 300 CB PRO A 20 -3.129 -8.065 -7.289 1.00 42.25 C ATOM 301 CG PRO A 20 -2.235 -7.714 -8.429 1.00 3.13 C ATOM 302 CD PRO A 20 -2.478 -6.258 -8.713 1.00 2.21 C ATOM 0 HA PRO A 20 -4.159 -6.643 -5.948 1.00 12.11 H new ATOM 0 HB2 PRO A 20 -2.728 -8.899 -6.713 1.00 42.25 H new ATOM 0 HB3 PRO A 20 -4.117 -8.365 -7.638 1.00 42.25 H new ATOM 0 HG2 PRO A 20 -1.190 -7.893 -8.175 1.00 3.13 H new ATOM 0 HG3 PRO A 20 -2.460 -8.325 -9.303 1.00 3.13 H new ATOM 0 HD2 PRO A 20 -1.574 -5.761 -9.066 1.00 2.21 H new ATOM 0 HD3 PRO A 20 -3.238 -6.120 -9.482 1.00 2.21 H new ATOM 310 N VAL A 21 -2.608 -7.288 -4.146 1.00 42.43 N ATOM 311 CA VAL A 21 -1.725 -7.384 -2.991 1.00 3.35 C ATOM 312 C VAL A 21 -0.443 -8.131 -3.338 1.00 34.01 C ATOM 313 O VAL A 21 0.656 -7.690 -3.003 1.00 21.45 O ATOM 314 CB VAL A 21 -2.418 -8.096 -1.813 1.00 55.11 C ATOM 315 CG1 VAL A 21 -1.480 -8.193 -0.620 1.00 14.21 C ATOM 316 CG2 VAL A 21 -3.702 -7.373 -1.435 1.00 51.30 C ATOM 0 H VAL A 21 -3.566 -7.592 -3.971 1.00 42.43 H new ATOM 0 HA VAL A 21 -1.478 -6.364 -2.696 1.00 3.35 H new ATOM 0 HB VAL A 21 -2.676 -9.108 -2.124 1.00 55.11 H new ATOM 0 HG11 VAL A 21 -1.987 -8.699 0.202 1.00 14.21 H new ATOM 0 HG12 VAL A 21 -0.591 -8.758 -0.901 1.00 14.21 H new ATOM 0 HG13 VAL A 21 -1.188 -7.191 -0.304 1.00 14.21 H new ATOM 0 HG21 VAL A 21 -4.178 -7.889 -0.602 1.00 51.30 H new ATOM 0 HG22 VAL A 21 -3.470 -6.349 -1.143 1.00 51.30 H new ATOM 0 HG23 VAL A 21 -4.379 -7.362 -2.290 1.00 51.30 H new ATOM 326 N LYS A 22 -0.591 -9.266 -4.014 1.00 41.13 N ATOM 327 CA LYS A 22 0.555 -10.075 -4.411 1.00 4.23 C ATOM 328 C LYS A 22 1.577 -9.236 -5.171 1.00 64.33 C ATOM 329 O LYS A 22 2.783 -9.392 -4.982 1.00 43.22 O ATOM 330 CB LYS A 22 0.098 -11.251 -5.279 1.00 62.33 C ATOM 331 CG LYS A 22 -0.588 -10.827 -6.565 1.00 43.41 C ATOM 332 CD LYS A 22 -1.714 -11.778 -6.935 1.00 43.22 C ATOM 333 CE LYS A 22 -1.180 -13.142 -7.339 1.00 35.14 C ATOM 334 NZ LYS A 22 -2.261 -14.032 -7.848 1.00 74.24 N ATOM 0 H LYS A 22 -1.494 -9.646 -4.298 1.00 41.13 H new ATOM 0 HA LYS A 22 1.027 -10.459 -3.507 1.00 4.23 H new ATOM 0 HB2 LYS A 22 0.962 -11.868 -5.525 1.00 62.33 H new ATOM 0 HB3 LYS A 22 -0.585 -11.874 -4.701 1.00 62.33 H new ATOM 0 HG2 LYS A 22 -0.985 -9.818 -6.451 1.00 43.41 H new ATOM 0 HG3 LYS A 22 0.142 -10.793 -7.374 1.00 43.41 H new ATOM 0 HD2 LYS A 22 -2.392 -11.888 -6.089 1.00 43.22 H new ATOM 0 HD3 LYS A 22 -2.294 -11.355 -7.755 1.00 43.22 H new ATOM 0 HE2 LYS A 22 -0.417 -13.020 -8.108 1.00 35.14 H new ATOM 0 HE3 LYS A 22 -0.696 -13.611 -6.482 1.00 35.14 H new ATOM 0 HZ1 LYS A 22 -1.857 -14.953 -8.113 1.00 74.24 H new ATOM 0 HZ2 LYS A 22 -2.976 -14.169 -7.106 1.00 74.24 H new ATOM 0 HZ3 LYS A 22 -2.706 -13.596 -8.681 1.00 74.24 H new ATOM 348 N GLU A 23 1.087 -8.347 -6.027 1.00 41.35 N ATOM 349 CA GLU A 23 1.960 -7.482 -6.814 1.00 11.43 C ATOM 350 C GLU A 23 2.503 -6.338 -5.963 1.00 50.14 C ATOM 351 O GLU A 23 3.697 -6.040 -5.996 1.00 44.41 O ATOM 352 CB GLU A 23 1.206 -6.921 -8.022 1.00 12.03 C ATOM 353 CG GLU A 23 2.017 -5.933 -8.840 1.00 40.54 C ATOM 354 CD GLU A 23 3.286 -6.543 -9.403 1.00 11.14 C ATOM 355 OE1 GLU A 23 4.307 -6.558 -8.685 1.00 1.10 O ATOM 356 OE2 GLU A 23 3.257 -7.008 -10.562 1.00 45.13 O ATOM 0 H GLU A 23 0.091 -8.206 -6.194 1.00 41.35 H new ATOM 0 HA GLU A 23 2.800 -8.081 -7.166 1.00 11.43 H new ATOM 0 HB2 GLU A 23 0.900 -7.747 -8.664 1.00 12.03 H new ATOM 0 HB3 GLU A 23 0.295 -6.432 -7.676 1.00 12.03 H new ATOM 0 HG2 GLU A 23 1.405 -5.557 -9.660 1.00 40.54 H new ATOM 0 HG3 GLU A 23 2.276 -5.077 -8.217 1.00 40.54 H new ATOM 363 N ILE A 24 1.617 -5.702 -5.204 1.00 44.30 N ATOM 364 CA ILE A 24 2.008 -4.591 -4.344 1.00 40.33 C ATOM 365 C ILE A 24 3.148 -4.990 -3.414 1.00 0.54 C ATOM 366 O ILE A 24 4.056 -4.201 -3.154 1.00 51.23 O ATOM 367 CB ILE A 24 0.822 -4.089 -3.500 1.00 14.33 C ATOM 368 CG1 ILE A 24 -0.324 -3.637 -4.407 1.00 11.11 C ATOM 369 CG2 ILE A 24 1.263 -2.953 -2.589 1.00 53.43 C ATOM 370 CD1 ILE A 24 -1.678 -3.664 -3.732 1.00 61.31 C ATOM 0 H ILE A 24 0.625 -5.936 -5.167 1.00 44.30 H new ATOM 0 HA ILE A 24 2.343 -3.787 -4.999 1.00 40.33 H new ATOM 0 HB ILE A 24 0.465 -4.910 -2.878 1.00 14.33 H new ATOM 0 HG12 ILE A 24 -0.122 -2.625 -4.757 1.00 11.11 H new ATOM 0 HG13 ILE A 24 -0.354 -4.278 -5.288 1.00 11.11 H new ATOM 0 HG21 ILE A 24 0.413 -2.609 -1.999 1.00 53.43 H new ATOM 0 HG22 ILE A 24 2.049 -3.306 -1.922 1.00 53.43 H new ATOM 0 HG23 ILE A 24 1.643 -2.129 -3.193 1.00 53.43 H new ATOM 0 HD11 ILE A 24 -2.442 -3.331 -4.435 1.00 61.31 H new ATOM 0 HD12 ILE A 24 -1.902 -4.680 -3.407 1.00 61.31 H new ATOM 0 HD13 ILE A 24 -1.667 -3.000 -2.867 1.00 61.31 H new ATOM 382 N ALA A 25 3.094 -6.221 -2.915 1.00 1.21 N ATOM 383 CA ALA A 25 4.123 -6.727 -2.017 1.00 64.21 C ATOM 384 C ALA A 25 5.504 -6.640 -2.659 1.00 13.43 C ATOM 385 O ALA A 25 6.476 -6.242 -2.017 1.00 32.23 O ATOM 386 CB ALA A 25 3.814 -8.161 -1.615 1.00 63.24 C ATOM 0 H ALA A 25 2.348 -6.886 -3.118 1.00 1.21 H new ATOM 0 HA ALA A 25 4.128 -6.104 -1.123 1.00 64.21 H new ATOM 0 HB1 ALA A 25 4.591 -8.526 -0.944 1.00 63.24 H new ATOM 0 HB2 ALA A 25 2.850 -8.197 -1.107 1.00 63.24 H new ATOM 0 HB3 ALA A 25 3.779 -8.789 -2.505 1.00 63.24 H new ATOM 392 N LYS A 26 5.584 -7.016 -3.931 1.00 4.23 N ATOM 393 CA LYS A 26 6.845 -6.980 -4.662 1.00 35.31 C ATOM 394 C LYS A 26 7.277 -5.544 -4.933 1.00 40.33 C ATOM 395 O LYS A 26 8.419 -5.169 -4.672 1.00 63.32 O ATOM 396 CB LYS A 26 6.713 -7.743 -5.983 1.00 20.50 C ATOM 397 CG LYS A 26 6.011 -9.083 -5.845 1.00 25.00 C ATOM 398 CD LYS A 26 6.699 -9.970 -4.820 1.00 54.41 C ATOM 399 CE LYS A 26 8.120 -10.310 -5.241 1.00 43.23 C ATOM 400 NZ LYS A 26 8.776 -11.239 -4.279 1.00 40.54 N ATOM 0 H LYS A 26 4.790 -7.349 -4.477 1.00 4.23 H new ATOM 0 HA LYS A 26 7.607 -7.459 -4.047 1.00 35.31 H new ATOM 0 HB2 LYS A 26 6.164 -7.127 -6.695 1.00 20.50 H new ATOM 0 HB3 LYS A 26 7.707 -7.904 -6.400 1.00 20.50 H new ATOM 0 HG2 LYS A 26 4.974 -8.923 -5.551 1.00 25.00 H new ATOM 0 HG3 LYS A 26 5.994 -9.587 -6.811 1.00 25.00 H new ATOM 0 HD2 LYS A 26 6.716 -9.466 -3.854 1.00 54.41 H new ATOM 0 HD3 LYS A 26 6.127 -10.889 -4.690 1.00 54.41 H new ATOM 0 HE2 LYS A 26 8.107 -10.763 -6.232 1.00 43.23 H new ATOM 0 HE3 LYS A 26 8.705 -9.394 -5.318 1.00 43.23 H new ATOM 0 HZ1 LYS A 26 9.743 -11.446 -4.601 1.00 40.54 H new ATOM 0 HZ2 LYS A 26 8.812 -10.796 -3.339 1.00 40.54 H new ATOM 0 HZ3 LYS A 26 8.232 -12.124 -4.225 1.00 40.54 H new ATOM 414 N ARG A 27 6.355 -4.743 -5.457 1.00 44.11 N ATOM 415 CA ARG A 27 6.641 -3.345 -5.763 1.00 34.04 C ATOM 416 C ARG A 27 7.125 -2.605 -4.520 1.00 75.32 C ATOM 417 O ARG A 27 8.151 -1.925 -4.551 1.00 32.34 O ATOM 418 CB ARG A 27 5.395 -2.659 -6.326 1.00 54.23 C ATOM 419 CG ARG A 27 5.541 -2.226 -7.776 1.00 62.40 C ATOM 420 CD ARG A 27 5.134 -3.336 -8.733 1.00 64.43 C ATOM 421 NE ARG A 27 6.291 -4.051 -9.264 1.00 74.50 N ATOM 422 CZ ARG A 27 6.260 -4.774 -10.378 1.00 60.10 C ATOM 423 NH1 ARG A 27 5.137 -4.876 -11.074 1.00 14.11 N ATOM 424 NH2 ARG A 27 7.355 -5.396 -10.798 1.00 22.54 N ATOM 0 H ARG A 27 5.404 -5.037 -5.679 1.00 44.11 H new ATOM 0 HA ARG A 27 7.432 -3.317 -6.512 1.00 34.04 H new ATOM 0 HB2 ARG A 27 4.547 -3.339 -6.242 1.00 54.23 H new ATOM 0 HB3 ARG A 27 5.165 -1.785 -5.716 1.00 54.23 H new ATOM 0 HG2 ARG A 27 4.926 -1.344 -7.957 1.00 62.40 H new ATOM 0 HG3 ARG A 27 6.575 -1.939 -7.969 1.00 62.40 H new ATOM 0 HD2 ARG A 27 4.479 -4.038 -8.217 1.00 64.43 H new ATOM 0 HD3 ARG A 27 4.560 -2.912 -9.557 1.00 64.43 H new ATOM 0 HE ARG A 27 7.171 -3.992 -8.752 1.00 74.50 H new ATOM 0 HH11 ARG A 27 4.294 -4.399 -10.755 1.00 14.11 H new ATOM 0 HH12 ARG A 27 5.116 -5.432 -11.929 1.00 14.11 H new ATOM 0 HH21 ARG A 27 8.221 -5.319 -10.265 1.00 22.54 H new ATOM 0 HH22 ARG A 27 7.330 -5.951 -11.654 1.00 22.54 H new ATOM 438 N SER A 28 6.379 -2.741 -3.428 1.00 63.25 N ATOM 439 CA SER A 28 6.730 -2.082 -2.176 1.00 13.41 C ATOM 440 C SER A 28 7.836 -2.843 -1.453 1.00 30.44 C ATOM 441 O SER A 28 8.413 -2.349 -0.484 1.00 31.33 O ATOM 442 CB SER A 28 5.500 -1.967 -1.273 1.00 51.32 C ATOM 443 OG SER A 28 5.781 -1.185 -0.125 1.00 33.31 O ATOM 0 H SER A 28 5.528 -3.302 -3.385 1.00 63.25 H new ATOM 0 HA SER A 28 7.095 -1.082 -2.411 1.00 13.41 H new ATOM 0 HB2 SER A 28 4.677 -1.519 -1.830 1.00 51.32 H new ATOM 0 HB3 SER A 28 5.174 -2.962 -0.968 1.00 51.32 H new ATOM 0 HG SER A 28 6.714 -1.319 0.142 1.00 33.31 H new ATOM 449 N ASN A 29 8.126 -4.049 -1.929 1.00 40.43 N ATOM 450 CA ASN A 29 9.163 -4.880 -1.329 1.00 35.24 C ATOM 451 C ASN A 29 8.799 -5.250 0.107 1.00 72.35 C ATOM 452 O ASN A 29 9.674 -5.423 0.953 1.00 62.40 O ATOM 453 CB ASN A 29 10.508 -4.152 -1.355 1.00 11.13 C ATOM 454 CG ASN A 29 10.797 -3.520 -2.702 1.00 70.13 C ATOM 455 OD1 ASN A 29 10.907 -4.213 -3.715 1.00 1.44 O ATOM 456 ND2 ASN A 29 10.924 -2.198 -2.721 1.00 14.01 N ATOM 0 H ASN A 29 7.657 -4.473 -2.729 1.00 40.43 H new ATOM 0 HA ASN A 29 9.243 -5.797 -1.913 1.00 35.24 H new ATOM 0 HB2 ASN A 29 10.515 -3.380 -0.586 1.00 11.13 H new ATOM 0 HB3 ASN A 29 11.304 -4.855 -1.108 1.00 11.13 H new ATOM 0 HD21 ASN A 29 11.120 -1.717 -3.599 1.00 14.01 H new ATOM 0 HD22 ASN A 29 10.825 -1.664 -1.858 1.00 14.01 H new ATOM 463 N ASN A 30 7.502 -5.369 0.371 1.00 4.13 N ATOM 464 CA ASN A 30 7.023 -5.717 1.704 1.00 54.12 C ATOM 465 C ASN A 30 6.371 -7.097 1.703 1.00 22.20 C ATOM 466 O ASN A 30 6.313 -7.767 0.672 1.00 40.52 O ATOM 467 CB ASN A 30 6.024 -4.670 2.200 1.00 55.31 C ATOM 468 CG ASN A 30 6.652 -3.685 3.167 1.00 52.24 C ATOM 469 OD1 ASN A 30 6.544 -2.472 2.992 1.00 40.21 O ATOM 470 ND2 ASN A 30 7.313 -4.205 4.195 1.00 12.23 N ATOM 0 H ASN A 30 6.764 -5.230 -0.320 1.00 4.13 H new ATOM 0 HA ASN A 30 7.880 -5.738 2.377 1.00 54.12 H new ATOM 0 HB2 ASN A 30 5.616 -4.128 1.347 1.00 55.31 H new ATOM 0 HB3 ASN A 30 5.188 -5.172 2.688 1.00 55.31 H new ATOM 0 HD21 ASN A 30 7.757 -3.592 4.879 1.00 12.23 H new ATOM 0 HD22 ASN A 30 7.377 -5.217 4.301 1.00 12.23 H new ATOM 477 N SER A 31 5.882 -7.515 2.866 1.00 1.04 N ATOM 478 CA SER A 31 5.237 -8.816 3.001 1.00 21.11 C ATOM 479 C SER A 31 3.725 -8.692 2.840 1.00 24.33 C ATOM 480 O SER A 31 3.158 -7.613 3.011 1.00 72.51 O ATOM 481 CB SER A 31 5.568 -9.434 4.361 1.00 64.44 C ATOM 482 OG SER A 31 5.401 -10.841 4.336 1.00 12.25 O ATOM 0 H SER A 31 5.920 -6.972 3.728 1.00 1.04 H new ATOM 0 HA SER A 31 5.616 -9.466 2.213 1.00 21.11 H new ATOM 0 HB2 SER A 31 6.595 -9.191 4.634 1.00 64.44 H new ATOM 0 HB3 SER A 31 4.924 -9.002 5.127 1.00 64.44 H new ATOM 0 HG SER A 31 5.620 -11.212 5.216 1.00 12.25 H new ATOM 488 N MET A 32 3.078 -9.805 2.511 1.00 31.34 N ATOM 489 CA MET A 32 1.631 -9.823 2.329 1.00 62.21 C ATOM 490 C MET A 32 0.921 -9.276 3.563 1.00 53.10 C ATOM 491 O MET A 32 -0.120 -8.628 3.456 1.00 51.31 O ATOM 492 CB MET A 32 1.150 -11.246 2.037 1.00 44.32 C ATOM 493 CG MET A 32 -0.045 -11.301 1.099 1.00 15.33 C ATOM 494 SD MET A 32 -1.329 -12.428 1.677 1.00 25.23 S ATOM 495 CE MET A 32 -2.802 -11.471 1.328 1.00 45.25 C ATOM 0 H MET A 32 3.533 -10.706 2.365 1.00 31.34 H new ATOM 0 HA MET A 32 1.388 -9.184 1.480 1.00 62.21 H new ATOM 0 HB2 MET A 32 1.970 -11.816 1.601 1.00 44.32 H new ATOM 0 HB3 MET A 32 0.887 -11.732 2.976 1.00 44.32 H new ATOM 0 HG2 MET A 32 -0.465 -10.301 0.993 1.00 15.33 H new ATOM 0 HG3 MET A 32 0.289 -11.613 0.109 1.00 15.33 H new ATOM 0 HE1 MET A 32 -3.683 -12.036 1.631 1.00 45.25 H new ATOM 0 HE2 MET A 32 -2.765 -10.532 1.881 1.00 45.25 H new ATOM 0 HE3 MET A 32 -2.855 -11.261 0.260 1.00 45.25 H new ATOM 505 N SER A 33 1.490 -9.542 4.734 1.00 63.55 N ATOM 506 CA SER A 33 0.909 -9.080 5.989 1.00 2.41 C ATOM 507 C SER A 33 1.229 -7.608 6.226 1.00 5.30 C ATOM 508 O SER A 33 0.543 -6.925 6.988 1.00 53.51 O ATOM 509 CB SER A 33 1.428 -9.921 7.157 1.00 41.03 C ATOM 510 OG SER A 33 2.721 -10.431 6.882 1.00 74.33 O ATOM 0 H SER A 33 2.353 -10.075 4.840 1.00 63.55 H new ATOM 0 HA SER A 33 -0.173 -9.193 5.923 1.00 2.41 H new ATOM 0 HB2 SER A 33 1.458 -9.314 8.062 1.00 41.03 H new ATOM 0 HB3 SER A 33 0.741 -10.746 7.349 1.00 41.03 H new ATOM 0 HG SER A 33 3.032 -10.963 7.644 1.00 74.33 H new ATOM 516 N THR A 34 2.278 -7.122 5.570 1.00 55.21 N ATOM 517 CA THR A 34 2.691 -5.732 5.709 1.00 74.53 C ATOM 518 C THR A 34 1.900 -4.827 4.772 1.00 43.20 C ATOM 519 O THR A 34 1.349 -3.810 5.194 1.00 60.43 O ATOM 520 CB THR A 34 4.195 -5.561 5.419 1.00 31.05 C ATOM 521 OG1 THR A 34 4.958 -6.426 6.269 1.00 54.21 O ATOM 522 CG2 THR A 34 4.628 -4.120 5.636 1.00 41.12 C ATOM 0 H THR A 34 2.858 -7.672 4.936 1.00 55.21 H new ATOM 0 HA THR A 34 2.492 -5.445 6.742 1.00 74.53 H new ATOM 0 HB THR A 34 4.374 -5.824 4.376 1.00 31.05 H new ATOM 0 HG1 THR A 34 5.913 -6.313 6.078 1.00 54.21 H new ATOM 0 HG21 THR A 34 5.693 -4.024 5.425 1.00 41.12 H new ATOM 0 HG22 THR A 34 4.066 -3.467 4.969 1.00 41.12 H new ATOM 0 HG23 THR A 34 4.436 -3.834 6.670 1.00 41.12 H new ATOM 530 N VAL A 35 1.846 -5.202 3.498 1.00 63.40 N ATOM 531 CA VAL A 35 1.120 -4.424 2.501 1.00 32.41 C ATOM 532 C VAL A 35 -0.369 -4.376 2.822 1.00 42.42 C ATOM 533 O VAL A 35 -0.949 -3.299 2.963 1.00 13.53 O ATOM 534 CB VAL A 35 1.310 -5.006 1.087 1.00 65.44 C ATOM 535 CG1 VAL A 35 0.244 -4.474 0.143 1.00 43.45 C ATOM 536 CG2 VAL A 35 2.704 -4.687 0.565 1.00 33.32 C ATOM 0 H VAL A 35 2.297 -6.040 3.132 1.00 63.40 H new ATOM 0 HA VAL A 35 1.529 -3.414 2.528 1.00 32.41 H new ATOM 0 HB VAL A 35 1.205 -6.090 1.140 1.00 65.44 H new ATOM 0 HG11 VAL A 35 0.394 -4.896 -0.851 1.00 43.45 H new ATOM 0 HG12 VAL A 35 -0.742 -4.756 0.512 1.00 43.45 H new ATOM 0 HG13 VAL A 35 0.314 -3.388 0.090 1.00 43.45 H new ATOM 0 HG21 VAL A 35 2.823 -5.105 -0.435 1.00 33.32 H new ATOM 0 HG22 VAL A 35 2.839 -3.606 0.525 1.00 33.32 H new ATOM 0 HG23 VAL A 35 3.450 -5.121 1.231 1.00 33.32 H new ATOM 546 N TYR A 36 -0.984 -5.548 2.935 1.00 65.54 N ATOM 547 CA TYR A 36 -2.407 -5.639 3.237 1.00 51.04 C ATOM 548 C TYR A 36 -2.755 -4.817 4.474 1.00 21.21 C ATOM 549 O TYR A 36 -3.796 -4.160 4.527 1.00 63.45 O ATOM 550 CB TYR A 36 -2.812 -7.099 3.450 1.00 52.23 C ATOM 551 CG TYR A 36 -4.290 -7.351 3.253 1.00 11.45 C ATOM 552 CD1 TYR A 36 -5.230 -6.791 4.109 1.00 13.04 C ATOM 553 CD2 TYR A 36 -4.746 -8.150 2.212 1.00 50.32 C ATOM 554 CE1 TYR A 36 -6.581 -7.020 3.934 1.00 0.23 C ATOM 555 CE2 TYR A 36 -6.096 -8.383 2.028 1.00 25.31 C ATOM 556 CZ TYR A 36 -7.009 -7.817 2.892 1.00 72.24 C ATOM 557 OH TYR A 36 -8.354 -8.046 2.713 1.00 34.14 O ATOM 0 H TYR A 36 -0.519 -6.449 2.822 1.00 65.54 H new ATOM 0 HA TYR A 36 -2.959 -5.236 2.388 1.00 51.04 H new ATOM 0 HB2 TYR A 36 -2.249 -7.728 2.760 1.00 52.23 H new ATOM 0 HB3 TYR A 36 -2.531 -7.402 4.459 1.00 52.23 H new ATOM 0 HD1 TYR A 36 -4.899 -6.166 4.925 1.00 13.04 H new ATOM 0 HD2 TYR A 36 -4.033 -8.597 1.535 1.00 50.32 H new ATOM 0 HE1 TYR A 36 -7.298 -6.578 4.609 1.00 0.23 H new ATOM 0 HE2 TYR A 36 -6.434 -9.005 1.212 1.00 25.31 H new ATOM 0 HH TYR A 36 -8.486 -8.626 1.935 1.00 34.14 H new ATOM 567 N LYS A 37 -1.877 -4.859 5.471 1.00 61.43 N ATOM 568 CA LYS A 37 -2.088 -4.118 6.709 1.00 70.53 C ATOM 569 C LYS A 37 -2.174 -2.620 6.439 1.00 15.40 C ATOM 570 O LYS A 37 -2.861 -1.890 7.151 1.00 4.23 O ATOM 571 CB LYS A 37 -0.954 -4.404 7.697 1.00 3.24 C ATOM 572 CG LYS A 37 -1.290 -5.484 8.711 1.00 22.03 C ATOM 573 CD LYS A 37 -0.147 -5.706 9.687 1.00 21.33 C ATOM 574 CE LYS A 37 -0.660 -6.065 11.074 1.00 44.31 C ATOM 575 NZ LYS A 37 -0.770 -7.538 11.261 1.00 51.24 N ATOM 0 H LYS A 37 -1.012 -5.399 5.445 1.00 61.43 H new ATOM 0 HA LYS A 37 -3.033 -4.446 7.143 1.00 70.53 H new ATOM 0 HB2 LYS A 37 -0.065 -4.703 7.141 1.00 3.24 H new ATOM 0 HB3 LYS A 37 -0.704 -3.485 8.227 1.00 3.24 H new ATOM 0 HG2 LYS A 37 -2.189 -5.203 9.260 1.00 22.03 H new ATOM 0 HG3 LYS A 37 -1.512 -6.416 8.191 1.00 22.03 H new ATOM 0 HD2 LYS A 37 0.498 -6.504 9.319 1.00 21.33 H new ATOM 0 HD3 LYS A 37 0.463 -4.805 9.746 1.00 21.33 H new ATOM 0 HE2 LYS A 37 0.011 -5.653 11.827 1.00 44.31 H new ATOM 0 HE3 LYS A 37 -1.636 -5.605 11.230 1.00 44.31 H new ATOM 0 HZ1 LYS A 37 -1.123 -7.741 12.218 1.00 51.24 H new ATOM 0 HZ2 LYS A 37 -1.430 -7.929 10.559 1.00 51.24 H new ATOM 0 HZ3 LYS A 37 0.166 -7.975 11.137 1.00 51.24 H new ATOM 589 N ALA A 38 -1.474 -2.169 5.402 1.00 64.14 N ATOM 590 CA ALA A 38 -1.475 -0.757 5.036 1.00 34.13 C ATOM 591 C ALA A 38 -2.752 -0.386 4.289 1.00 30.34 C ATOM 592 O ALA A 38 -3.356 0.654 4.552 1.00 41.35 O ATOM 593 CB ALA A 38 -0.253 -0.431 4.192 1.00 54.32 C ATOM 0 H ALA A 38 -0.900 -2.760 4.801 1.00 64.14 H new ATOM 0 HA ALA A 38 -1.437 -0.168 5.952 1.00 34.13 H new ATOM 0 HB1 ALA A 38 -0.266 0.626 3.926 1.00 54.32 H new ATOM 0 HB2 ALA A 38 0.651 -0.651 4.760 1.00 54.32 H new ATOM 0 HB3 ALA A 38 -0.266 -1.034 3.284 1.00 54.32 H new ATOM 599 N LEU A 39 -3.156 -1.242 3.357 1.00 43.31 N ATOM 600 CA LEU A 39 -4.362 -1.002 2.570 1.00 32.31 C ATOM 601 C LEU A 39 -5.570 -0.792 3.477 1.00 52.42 C ATOM 602 O LEU A 39 -6.315 0.175 3.320 1.00 45.15 O ATOM 603 CB LEU A 39 -4.618 -2.177 1.624 1.00 65.00 C ATOM 604 CG LEU A 39 -3.429 -2.626 0.774 1.00 43.12 C ATOM 605 CD1 LEU A 39 -3.775 -3.885 -0.005 1.00 71.04 C ATOM 606 CD2 LEU A 39 -2.997 -1.513 -0.170 1.00 33.33 C ATOM 0 H LEU A 39 -2.667 -2.107 3.127 1.00 43.31 H new ATOM 0 HA LEU A 39 -4.210 -0.096 1.983 1.00 32.31 H new ATOM 0 HB2 LEU A 39 -4.957 -3.027 2.216 1.00 65.00 H new ATOM 0 HB3 LEU A 39 -5.436 -1.908 0.955 1.00 65.00 H new ATOM 0 HG LEU A 39 -2.596 -2.853 1.440 1.00 43.12 H new ATOM 0 HD11 LEU A 39 -2.917 -4.190 -0.604 1.00 71.04 H new ATOM 0 HD12 LEU A 39 -4.034 -4.683 0.690 1.00 71.04 H new ATOM 0 HD13 LEU A 39 -4.623 -3.686 -0.661 1.00 71.04 H new ATOM 0 HD21 LEU A 39 -2.150 -1.851 -0.767 1.00 33.33 H new ATOM 0 HD22 LEU A 39 -3.825 -1.253 -0.830 1.00 33.33 H new ATOM 0 HD23 LEU A 39 -2.706 -0.637 0.409 1.00 33.33 H new ATOM 618 N GLU A 40 -5.758 -1.703 4.426 1.00 25.12 N ATOM 619 CA GLU A 40 -6.875 -1.615 5.359 1.00 55.44 C ATOM 620 C GLU A 40 -6.832 -0.304 6.139 1.00 73.44 C ATOM 621 O GLU A 40 -7.868 0.234 6.529 1.00 21.43 O ATOM 622 CB GLU A 40 -6.855 -2.799 6.328 1.00 70.21 C ATOM 623 CG GLU A 40 -5.548 -2.938 7.090 1.00 32.41 C ATOM 624 CD GLU A 40 -5.671 -3.845 8.299 1.00 43.11 C ATOM 625 OE1 GLU A 40 -6.166 -4.981 8.143 1.00 45.23 O ATOM 626 OE2 GLU A 40 -5.273 -3.417 9.404 1.00 55.14 O ATOM 0 H GLU A 40 -5.151 -2.510 4.569 1.00 25.12 H new ATOM 0 HA GLU A 40 -7.799 -1.643 4.782 1.00 55.44 H new ATOM 0 HB2 GLU A 40 -7.672 -2.688 7.041 1.00 70.21 H new ATOM 0 HB3 GLU A 40 -7.041 -3.717 5.771 1.00 70.21 H new ATOM 0 HG2 GLU A 40 -4.782 -3.332 6.422 1.00 32.41 H new ATOM 0 HG3 GLU A 40 -5.213 -1.952 7.413 1.00 32.41 H new ATOM 633 N LYS A 41 -5.625 0.204 6.363 1.00 70.42 N ATOM 634 CA LYS A 41 -5.443 1.451 7.095 1.00 4.13 C ATOM 635 C LYS A 41 -5.726 2.653 6.200 1.00 62.05 C ATOM 636 O LYS A 41 -6.318 3.641 6.638 1.00 21.23 O ATOM 637 CB LYS A 41 -4.019 1.539 7.650 1.00 14.14 C ATOM 638 CG LYS A 41 -3.962 1.636 9.165 1.00 3.14 C ATOM 639 CD LYS A 41 -4.039 0.265 9.816 1.00 14.31 C ATOM 640 CE LYS A 41 -5.445 -0.038 10.313 1.00 41.51 C ATOM 641 NZ LYS A 41 -5.430 -0.751 11.619 1.00 34.45 N ATOM 0 H LYS A 41 -4.757 -0.230 6.047 1.00 70.42 H new ATOM 0 HA LYS A 41 -6.150 1.462 7.924 1.00 4.13 H new ATOM 0 HB2 LYS A 41 -3.458 0.661 7.329 1.00 14.14 H new ATOM 0 HB3 LYS A 41 -3.523 2.409 7.220 1.00 14.14 H new ATOM 0 HG2 LYS A 41 -3.038 2.130 9.464 1.00 3.14 H new ATOM 0 HG3 LYS A 41 -4.785 2.256 9.522 1.00 3.14 H new ATOM 0 HD2 LYS A 41 -3.733 -0.497 9.099 1.00 14.31 H new ATOM 0 HD3 LYS A 41 -3.339 0.217 10.650 1.00 14.31 H new ATOM 0 HE2 LYS A 41 -6.003 0.893 10.414 1.00 41.51 H new ATOM 0 HE3 LYS A 41 -5.968 -0.645 9.574 1.00 41.51 H new ATOM 0 HZ1 LYS A 41 -6.407 -0.939 11.923 1.00 34.45 H new ATOM 0 HZ2 LYS A 41 -4.920 -1.651 11.517 1.00 34.45 H new ATOM 0 HZ3 LYS A 41 -4.953 -0.162 12.331 1.00 34.45 H new ATOM 655 N LEU A 42 -5.300 2.564 4.945 1.00 31.43 N ATOM 656 CA LEU A 42 -5.507 3.644 3.987 1.00 11.43 C ATOM 657 C LEU A 42 -6.982 3.764 3.614 1.00 60.23 C ATOM 658 O LEU A 42 -7.559 4.850 3.667 1.00 55.23 O ATOM 659 CB LEU A 42 -4.669 3.407 2.731 1.00 72.13 C ATOM 660 CG LEU A 42 -3.155 3.339 2.937 1.00 11.43 C ATOM 661 CD1 LEU A 42 -2.544 2.266 2.050 1.00 71.31 C ATOM 662 CD2 LEU A 42 -2.517 4.692 2.657 1.00 22.43 C ATOM 0 H LEU A 42 -4.809 1.754 4.567 1.00 31.43 H new ATOM 0 HA LEU A 42 -5.192 4.577 4.454 1.00 11.43 H new ATOM 0 HB2 LEU A 42 -4.995 2.474 2.272 1.00 72.13 H new ATOM 0 HB3 LEU A 42 -4.883 4.205 2.020 1.00 72.13 H new ATOM 0 HG LEU A 42 -2.960 3.076 3.977 1.00 11.43 H new ATOM 0 HD11 LEU A 42 -1.466 2.232 2.210 1.00 71.31 H new ATOM 0 HD12 LEU A 42 -2.978 1.298 2.298 1.00 71.31 H new ATOM 0 HD13 LEU A 42 -2.749 2.498 1.005 1.00 71.31 H new ATOM 0 HD21 LEU A 42 -1.440 4.625 2.809 1.00 22.43 H new ATOM 0 HD22 LEU A 42 -2.721 4.984 1.627 1.00 22.43 H new ATOM 0 HD23 LEU A 42 -2.933 5.438 3.335 1.00 22.43 H new ATOM 674 N GLU A 43 -7.585 2.641 3.238 1.00 73.32 N ATOM 675 CA GLU A 43 -8.993 2.620 2.857 1.00 64.12 C ATOM 676 C GLU A 43 -9.864 3.206 3.964 1.00 4.22 C ATOM 677 O GLU A 43 -10.886 3.837 3.696 1.00 53.23 O ATOM 678 CB GLU A 43 -9.438 1.190 2.545 1.00 42.41 C ATOM 679 CG GLU A 43 -10.654 1.116 1.638 1.00 13.40 C ATOM 680 CD GLU A 43 -11.488 -0.128 1.877 1.00 43.02 C ATOM 681 OE1 GLU A 43 -11.545 -0.589 3.037 1.00 54.14 O ATOM 682 OE2 GLU A 43 -12.083 -0.640 0.906 1.00 42.25 O ATOM 0 H GLU A 43 -7.121 1.734 3.189 1.00 73.32 H new ATOM 0 HA GLU A 43 -9.111 3.232 1.963 1.00 64.12 H new ATOM 0 HB2 GLU A 43 -8.612 0.656 2.076 1.00 42.41 H new ATOM 0 HB3 GLU A 43 -9.660 0.675 3.480 1.00 42.41 H new ATOM 0 HG2 GLU A 43 -11.273 1.999 1.795 1.00 13.40 H new ATOM 0 HG3 GLU A 43 -10.328 1.136 0.598 1.00 13.40 H new ATOM 689 N ALA A 44 -9.453 2.991 5.209 1.00 5.10 N ATOM 690 CA ALA A 44 -10.194 3.499 6.357 1.00 2.51 C ATOM 691 C ALA A 44 -10.133 5.021 6.420 1.00 65.02 C ATOM 692 O ALA A 44 -11.007 5.664 7.001 1.00 4.14 O ATOM 693 CB ALA A 44 -9.654 2.894 7.644 1.00 32.03 C ATOM 0 H ALA A 44 -8.611 2.468 5.449 1.00 5.10 H new ATOM 0 HA ALA A 44 -11.238 3.208 6.242 1.00 2.51 H new ATOM 0 HB1 ALA A 44 -10.217 3.282 8.493 1.00 32.03 H new ATOM 0 HB2 ALA A 44 -9.756 1.809 7.607 1.00 32.03 H new ATOM 0 HB3 ALA A 44 -8.602 3.156 7.756 1.00 32.03 H new ATOM 699 N MET A 45 -9.094 5.593 5.820 1.00 64.12 N ATOM 700 CA MET A 45 -8.920 7.041 5.809 1.00 72.55 C ATOM 701 C MET A 45 -9.438 7.640 4.505 1.00 4.34 C ATOM 702 O MET A 45 -9.823 8.809 4.458 1.00 34.43 O ATOM 703 CB MET A 45 -7.444 7.400 5.997 1.00 1.54 C ATOM 704 CG MET A 45 -6.924 7.116 7.397 1.00 11.32 C ATOM 705 SD MET A 45 -7.577 8.262 8.627 1.00 12.43 S ATOM 706 CE MET A 45 -6.134 9.269 8.952 1.00 62.25 C ATOM 0 H MET A 45 -8.360 5.076 5.335 1.00 64.12 H new ATOM 0 HA MET A 45 -9.496 7.458 6.635 1.00 72.55 H new ATOM 0 HB2 MET A 45 -6.848 6.841 5.276 1.00 1.54 H new ATOM 0 HB3 MET A 45 -7.304 8.458 5.774 1.00 1.54 H new ATOM 0 HG2 MET A 45 -7.189 6.097 7.679 1.00 11.32 H new ATOM 0 HG3 MET A 45 -5.836 7.173 7.395 1.00 11.32 H new ATOM 0 HE1 MET A 45 -6.379 10.027 9.696 1.00 62.25 H new ATOM 0 HE2 MET A 45 -5.328 8.639 9.328 1.00 62.25 H new ATOM 0 HE3 MET A 45 -5.814 9.755 8.030 1.00 62.25 H new ATOM 716 N GLY A 46 -9.445 6.833 3.449 1.00 44.14 N ATOM 717 CA GLY A 46 -9.917 7.303 2.159 1.00 11.43 C ATOM 718 C GLY A 46 -8.784 7.711 1.240 1.00 51.43 C ATOM 719 O GLY A 46 -8.969 8.532 0.341 1.00 11.33 O ATOM 0 H GLY A 46 -9.132 5.862 3.463 1.00 44.14 H new ATOM 0 HA2 GLY A 46 -10.503 6.517 1.682 1.00 11.43 H new ATOM 0 HA3 GLY A 46 -10.584 8.152 2.307 1.00 11.43 H new ATOM 723 N ARG A 47 -7.605 7.140 1.465 1.00 12.12 N ATOM 724 CA ARG A 47 -6.437 7.452 0.652 1.00 61.12 C ATOM 725 C ARG A 47 -6.445 6.645 -0.643 1.00 73.23 C ATOM 726 O ARG A 47 -6.184 7.181 -1.721 1.00 64.11 O ATOM 727 CB ARG A 47 -5.154 7.167 1.434 1.00 64.42 C ATOM 728 CG ARG A 47 -5.216 7.609 2.888 1.00 41.34 C ATOM 729 CD ARG A 47 -5.408 9.114 3.004 1.00 10.04 C ATOM 730 NE ARG A 47 -4.204 9.783 3.490 1.00 33.15 N ATOM 731 CZ ARG A 47 -3.733 9.644 4.724 1.00 51.04 C ATOM 732 NH1 ARG A 47 -4.361 8.863 5.593 1.00 41.45 N ATOM 733 NH2 ARG A 47 -2.632 10.286 5.091 1.00 64.32 N ATOM 0 H ARG A 47 -7.434 6.458 2.204 1.00 12.12 H new ATOM 0 HA ARG A 47 -6.473 8.512 0.400 1.00 61.12 H new ATOM 0 HB2 ARG A 47 -4.946 6.098 1.397 1.00 64.42 H new ATOM 0 HB3 ARG A 47 -4.321 7.671 0.945 1.00 64.42 H new ATOM 0 HG2 ARG A 47 -6.036 7.096 3.391 1.00 41.34 H new ATOM 0 HG3 ARG A 47 -4.298 7.318 3.398 1.00 41.34 H new ATOM 0 HD2 ARG A 47 -5.681 9.521 2.030 1.00 10.04 H new ATOM 0 HD3 ARG A 47 -6.237 9.323 3.680 1.00 10.04 H new ATOM 0 HE ARG A 47 -3.697 10.390 2.846 1.00 33.15 H new ATOM 0 HH11 ARG A 47 -5.208 8.367 5.314 1.00 41.45 H new ATOM 0 HH12 ARG A 47 -3.997 8.758 6.540 1.00 41.45 H new ATOM 0 HH21 ARG A 47 -2.146 10.887 4.425 1.00 64.32 H new ATOM 0 HH22 ARG A 47 -2.271 10.179 6.039 1.00 64.32 H new ATOM 747 N ILE A 48 -6.744 5.355 -0.529 1.00 41.40 N ATOM 748 CA ILE A 48 -6.786 4.476 -1.691 1.00 53.02 C ATOM 749 C ILE A 48 -8.200 4.375 -2.253 1.00 3.21 C ATOM 750 O ILE A 48 -8.392 4.076 -3.432 1.00 61.13 O ATOM 751 CB ILE A 48 -6.281 3.063 -1.345 1.00 55.44 C ATOM 752 CG1 ILE A 48 -7.172 2.426 -0.277 1.00 12.32 C ATOM 753 CG2 ILE A 48 -4.836 3.117 -0.874 1.00 60.15 C ATOM 754 CD1 ILE A 48 -6.732 1.036 0.128 1.00 52.25 C ATOM 0 H ILE A 48 -6.961 4.896 0.356 1.00 41.40 H new ATOM 0 HA ILE A 48 -6.130 4.914 -2.443 1.00 53.02 H new ATOM 0 HB ILE A 48 -6.327 2.447 -2.243 1.00 55.44 H new ATOM 0 HG12 ILE A 48 -7.182 3.066 0.605 1.00 12.32 H new ATOM 0 HG13 ILE A 48 -8.195 2.380 -0.649 1.00 12.32 H new ATOM 0 HG21 ILE A 48 -4.494 2.110 -0.633 1.00 60.15 H new ATOM 0 HG22 ILE A 48 -4.211 3.533 -1.664 1.00 60.15 H new ATOM 0 HG23 ILE A 48 -4.766 3.746 0.013 1.00 60.15 H new ATOM 0 HD11 ILE A 48 -7.410 0.647 0.888 1.00 52.25 H new ATOM 0 HD12 ILE A 48 -6.749 0.381 -0.743 1.00 52.25 H new ATOM 0 HD13 ILE A 48 -5.720 1.078 0.531 1.00 52.25 H new ATOM 1035 N THR A 62 -4.709 -12.154 -18.117 1.00 0.50 N ATOM 1036 CA THR A 62 -4.731 -12.691 -16.763 1.00 24.13 C ATOM 1037 C THR A 62 -6.113 -13.225 -16.405 1.00 73.43 C ATOM 1038 O THR A 62 -7.088 -12.972 -17.112 1.00 23.45 O ATOM 1039 CB THR A 62 -4.322 -11.624 -15.729 1.00 13.11 C ATOM 1040 OG1 THR A 62 -3.442 -10.668 -16.333 1.00 32.23 O ATOM 1041 CG2 THR A 62 -3.638 -12.265 -14.531 1.00 32.20 C ATOM 0 HA THR A 62 -4.011 -13.509 -16.736 1.00 24.13 H new ATOM 0 HB THR A 62 -5.224 -11.119 -15.384 1.00 13.11 H new ATOM 0 HG1 THR A 62 -3.447 -10.788 -17.306 1.00 32.23 H new ATOM 0 HG21 THR A 62 -3.359 -11.492 -13.815 1.00 32.20 H new ATOM 0 HG22 THR A 62 -4.321 -12.970 -14.056 1.00 32.20 H new ATOM 0 HG23 THR A 62 -2.744 -12.793 -14.862 1.00 32.20 H new ATOM 1049 N GLU A 63 -6.188 -13.966 -15.304 1.00 24.35 N ATOM 1050 CA GLU A 63 -7.452 -14.538 -14.854 1.00 3.53 C ATOM 1051 C GLU A 63 -8.529 -13.461 -14.751 1.00 32.14 C ATOM 1052 O GLU A 63 -9.705 -13.720 -15.002 1.00 62.11 O ATOM 1053 CB GLU A 63 -7.272 -15.226 -13.499 1.00 41.30 C ATOM 1054 CG GLU A 63 -7.520 -16.724 -13.540 1.00 41.22 C ATOM 1055 CD GLU A 63 -7.922 -17.287 -12.190 1.00 45.34 C ATOM 1056 OE1 GLU A 63 -9.091 -17.098 -11.794 1.00 52.22 O ATOM 1057 OE2 GLU A 63 -7.068 -17.913 -11.530 1.00 72.43 O ATOM 0 H GLU A 63 -5.390 -14.184 -14.708 1.00 24.35 H new ATOM 0 HA GLU A 63 -7.770 -15.277 -15.589 1.00 3.53 H new ATOM 0 HB2 GLU A 63 -6.259 -15.044 -13.140 1.00 41.30 H new ATOM 0 HB3 GLU A 63 -7.952 -14.773 -12.778 1.00 41.30 H new ATOM 0 HG2 GLU A 63 -8.303 -16.939 -14.267 1.00 41.22 H new ATOM 0 HG3 GLU A 63 -6.618 -17.228 -13.886 1.00 41.22 H new ATOM 1064 N GLU A 64 -8.117 -12.253 -14.379 1.00 71.21 N ATOM 1065 CA GLU A 64 -9.046 -11.139 -14.241 1.00 44.42 C ATOM 1066 C GLU A 64 -9.523 -10.655 -15.608 1.00 73.30 C ATOM 1067 O GLU A 64 -10.696 -10.331 -15.788 1.00 24.20 O ATOM 1068 CB GLU A 64 -8.386 -9.985 -13.483 1.00 65.21 C ATOM 1069 CG GLU A 64 -8.601 -10.042 -11.980 1.00 53.43 C ATOM 1070 CD GLU A 64 -8.255 -8.736 -11.291 1.00 1.21 C ATOM 1071 OE1 GLU A 64 -7.072 -8.544 -10.943 1.00 65.14 O ATOM 1072 OE2 GLU A 64 -9.168 -7.905 -11.101 1.00 32.22 O ATOM 0 H GLU A 64 -7.146 -12.022 -14.168 1.00 71.21 H new ATOM 0 HA GLU A 64 -9.910 -11.489 -13.676 1.00 44.42 H new ATOM 0 HB2 GLU A 64 -7.316 -9.991 -13.689 1.00 65.21 H new ATOM 0 HB3 GLU A 64 -8.778 -9.041 -13.862 1.00 65.21 H new ATOM 0 HG2 GLU A 64 -9.642 -10.292 -11.775 1.00 53.43 H new ATOM 0 HG3 GLU A 64 -7.992 -10.843 -11.560 1.00 53.43 H new ATOM 1079 N GLU A 65 -8.604 -10.611 -16.568 1.00 65.11 N ATOM 1080 CA GLU A 65 -8.930 -10.167 -17.917 1.00 11.24 C ATOM 1081 C GLU A 65 -9.777 -11.208 -18.643 1.00 42.12 C ATOM 1082 O GLU A 65 -10.678 -10.867 -19.411 1.00 70.23 O ATOM 1083 CB GLU A 65 -7.651 -9.891 -18.711 1.00 35.12 C ATOM 1084 CG GLU A 65 -7.111 -8.483 -18.525 1.00 31.31 C ATOM 1085 CD GLU A 65 -6.675 -8.208 -17.099 1.00 52.43 C ATOM 1086 OE1 GLU A 65 -7.519 -7.757 -16.297 1.00 21.33 O ATOM 1087 OE2 GLU A 65 -5.490 -8.445 -16.786 1.00 10.12 O ATOM 0 H GLU A 65 -7.628 -10.878 -16.436 1.00 65.11 H new ATOM 0 HA GLU A 65 -9.506 -9.245 -17.838 1.00 11.24 H new ATOM 0 HB2 GLU A 65 -6.886 -10.607 -18.411 1.00 35.12 H new ATOM 0 HB3 GLU A 65 -7.847 -10.059 -19.770 1.00 35.12 H new ATOM 0 HG2 GLU A 65 -6.265 -8.331 -19.195 1.00 31.31 H new ATOM 0 HG3 GLU A 65 -7.878 -7.763 -18.812 1.00 31.31 H new ATOM 1094 N LEU A 66 -9.483 -12.479 -18.394 1.00 73.44 N ATOM 1095 CA LEU A 66 -10.216 -13.572 -19.023 1.00 41.15 C ATOM 1096 C LEU A 66 -11.693 -13.525 -18.647 1.00 44.42 C ATOM 1097 O LEU A 66 -12.555 -13.932 -19.425 1.00 32.04 O ATOM 1098 CB LEU A 66 -9.617 -14.918 -18.613 1.00 4.10 C ATOM 1099 CG LEU A 66 -8.273 -15.277 -19.249 1.00 44.25 C ATOM 1100 CD1 LEU A 66 -7.457 -16.155 -18.313 1.00 2.22 C ATOM 1101 CD2 LEU A 66 -8.486 -15.972 -20.586 1.00 61.35 C ATOM 0 H LEU A 66 -8.742 -12.778 -17.761 1.00 73.44 H new ATOM 0 HA LEU A 66 -10.131 -13.458 -20.104 1.00 41.15 H new ATOM 0 HB2 LEU A 66 -9.497 -14.925 -17.530 1.00 4.10 H new ATOM 0 HB3 LEU A 66 -10.333 -15.702 -18.859 1.00 4.10 H new ATOM 0 HG LEU A 66 -7.717 -14.356 -19.425 1.00 44.25 H new ATOM 0 HD11 LEU A 66 -6.504 -16.400 -18.782 1.00 2.22 H new ATOM 0 HD12 LEU A 66 -7.275 -15.622 -17.380 1.00 2.22 H new ATOM 0 HD13 LEU A 66 -8.006 -17.073 -18.105 1.00 2.22 H new ATOM 0 HD21 LEU A 66 -7.520 -16.220 -21.025 1.00 61.35 H new ATOM 0 HD22 LEU A 66 -9.061 -16.885 -20.434 1.00 61.35 H new ATOM 0 HD23 LEU A 66 -9.030 -15.309 -21.258 1.00 61.35 H new ATOM 1113 N ALA A 67 -11.978 -13.021 -17.451 1.00 43.13 N ATOM 1114 CA ALA A 67 -13.350 -12.915 -16.973 1.00 15.21 C ATOM 1115 C ALA A 67 -14.046 -11.694 -17.566 1.00 2.01 C ATOM 1116 O ALA A 67 -15.270 -11.666 -17.699 1.00 75.21 O ATOM 1117 CB ALA A 67 -13.378 -12.854 -15.453 1.00 71.13 C ATOM 0 H ALA A 67 -11.276 -12.679 -16.795 1.00 43.13 H new ATOM 0 HA ALA A 67 -13.891 -13.803 -17.299 1.00 15.21 H new ATOM 0 HB1 ALA A 67 -14.410 -12.775 -15.111 1.00 71.13 H new ATOM 0 HB2 ALA A 67 -12.929 -13.759 -15.044 1.00 71.13 H new ATOM 0 HB3 ALA A 67 -12.816 -11.984 -15.113 1.00 71.13 H new ATOM 1123 N THR A 68 -13.257 -10.684 -17.919 1.00 53.22 N ATOM 1124 CA THR A 68 -13.797 -9.459 -18.496 1.00 14.44 C ATOM 1125 C THR A 68 -14.023 -9.610 -19.996 1.00 63.33 C ATOM 1126 O THR A 68 -15.010 -9.113 -20.538 1.00 1.13 O ATOM 1127 CB THR A 68 -12.861 -8.260 -18.247 1.00 14.21 C ATOM 1128 OG1 THR A 68 -12.668 -8.075 -16.841 1.00 63.43 O ATOM 1129 CG2 THR A 68 -13.435 -6.991 -18.857 1.00 41.11 C ATOM 0 H THR A 68 -12.242 -10.690 -17.815 1.00 53.22 H new ATOM 0 HA THR A 68 -14.752 -9.273 -18.005 1.00 14.44 H new ATOM 0 HB THR A 68 -11.902 -8.470 -18.721 1.00 14.21 H new ATOM 0 HG1 THR A 68 -12.050 -8.756 -16.503 1.00 63.43 H new ATOM 0 HG21 THR A 68 -12.758 -6.158 -18.669 1.00 41.11 H new ATOM 0 HG22 THR A 68 -13.554 -7.126 -19.932 1.00 41.11 H new ATOM 0 HG23 THR A 68 -14.405 -6.778 -18.408 1.00 41.11 H new ATOM 1137 N ILE A 69 -13.101 -10.299 -20.661 1.00 52.42 N ATOM 1138 CA ILE A 69 -13.201 -10.516 -22.099 1.00 14.24 C ATOM 1139 C ILE A 69 -14.428 -11.353 -22.445 1.00 3.14 C ATOM 1140 O ILE A 69 -15.092 -11.114 -23.454 1.00 2.13 O ATOM 1141 CB ILE A 69 -11.946 -11.215 -22.652 1.00 72.53 C ATOM 1142 CG1 ILE A 69 -12.082 -11.441 -24.159 1.00 42.42 C ATOM 1143 CG2 ILE A 69 -11.714 -12.536 -21.932 1.00 24.03 C ATOM 1144 CD1 ILE A 69 -10.765 -11.716 -24.850 1.00 50.11 C ATOM 0 H ILE A 69 -12.277 -10.716 -20.227 1.00 52.42 H new ATOM 0 HA ILE A 69 -13.292 -9.533 -22.560 1.00 14.24 H new ATOM 0 HB ILE A 69 -11.084 -10.571 -22.477 1.00 72.53 H new ATOM 0 HG12 ILE A 69 -12.756 -12.279 -24.333 1.00 42.42 H new ATOM 0 HG13 ILE A 69 -12.543 -10.562 -24.610 1.00 42.42 H new ATOM 0 HG21 ILE A 69 -10.823 -13.018 -22.334 1.00 24.03 H new ATOM 0 HG22 ILE A 69 -11.576 -12.351 -20.867 1.00 24.03 H new ATOM 0 HG23 ILE A 69 -12.576 -13.187 -22.079 1.00 24.03 H new ATOM 0 HD11 ILE A 69 -10.938 -11.866 -25.916 1.00 50.11 H new ATOM 0 HD12 ILE A 69 -10.095 -10.868 -24.707 1.00 50.11 H new ATOM 0 HD13 ILE A 69 -10.312 -12.612 -24.426 1.00 50.11 H new ATOM 1156 N ARG A 70 -14.725 -12.335 -21.599 1.00 5.50 N ATOM 1157 CA ARG A 70 -15.874 -13.207 -21.814 1.00 64.24 C ATOM 1158 C ARG A 70 -17.161 -12.394 -21.927 1.00 73.45 C ATOM 1159 O ARG A 70 -18.141 -12.846 -22.519 1.00 64.31 O ATOM 1160 CB ARG A 70 -15.994 -14.217 -20.672 1.00 31.11 C ATOM 1161 CG ARG A 70 -16.562 -13.626 -19.393 1.00 4.03 C ATOM 1162 CD ARG A 70 -18.024 -14.001 -19.205 1.00 62.11 C ATOM 1163 NE ARG A 70 -18.192 -15.078 -18.233 1.00 72.41 N ATOM 1164 CZ ARG A 70 -18.105 -14.903 -16.919 1.00 74.33 C ATOM 1165 NH1 ARG A 70 -17.853 -13.700 -16.423 1.00 45.45 N ATOM 1166 NH2 ARG A 70 -18.270 -15.933 -16.099 1.00 72.34 N ATOM 0 H ARG A 70 -14.186 -12.546 -20.759 1.00 5.50 H new ATOM 0 HA ARG A 70 -15.721 -13.744 -22.750 1.00 64.24 H new ATOM 0 HB2 ARG A 70 -16.629 -15.043 -20.994 1.00 31.11 H new ATOM 0 HB3 ARG A 70 -15.009 -14.635 -20.463 1.00 31.11 H new ATOM 0 HG2 ARG A 70 -15.983 -13.979 -18.540 1.00 4.03 H new ATOM 0 HG3 ARG A 70 -16.464 -12.541 -19.418 1.00 4.03 H new ATOM 0 HD2 ARG A 70 -18.583 -13.125 -18.876 1.00 62.11 H new ATOM 0 HD3 ARG A 70 -18.446 -14.308 -20.162 1.00 62.11 H new ATOM 0 HE ARG A 70 -18.387 -16.016 -18.582 1.00 72.41 H new ATOM 0 HH11 ARG A 70 -17.725 -12.906 -17.051 1.00 45.45 H new ATOM 0 HH12 ARG A 70 -17.787 -13.568 -15.414 1.00 45.45 H new ATOM 0 HH21 ARG A 70 -18.464 -16.860 -16.477 1.00 72.34 H new ATOM 0 HH22 ARG A 70 -18.203 -15.798 -15.090 1.00 72.34 H new ATOM 1180 N GLU A 71 -17.149 -11.195 -21.355 1.00 22.12 N ATOM 1181 CA GLU A 71 -18.315 -10.321 -21.391 1.00 23.10 C ATOM 1182 C GLU A 71 -18.801 -10.120 -22.823 1.00 31.11 C ATOM 1183 O GLU A 71 -19.995 -9.938 -23.066 1.00 64.44 O ATOM 1184 CB GLU A 71 -17.986 -8.967 -20.758 1.00 24.33 C ATOM 1185 CG GLU A 71 -17.687 -9.047 -19.270 1.00 30.10 C ATOM 1186 CD GLU A 71 -18.766 -8.401 -18.423 1.00 35.12 C ATOM 1187 OE1 GLU A 71 -19.959 -8.671 -18.674 1.00 61.13 O ATOM 1188 OE2 GLU A 71 -18.416 -7.626 -17.508 1.00 2.25 O ATOM 0 H GLU A 71 -16.345 -10.807 -20.861 1.00 22.12 H new ATOM 0 HA GLU A 71 -19.111 -10.798 -20.819 1.00 23.10 H new ATOM 0 HB2 GLU A 71 -17.126 -8.535 -21.270 1.00 24.33 H new ATOM 0 HB3 GLU A 71 -18.824 -8.288 -20.916 1.00 24.33 H new ATOM 0 HG2 GLU A 71 -17.580 -10.092 -18.980 1.00 30.10 H new ATOM 0 HG3 GLU A 71 -16.732 -8.561 -19.068 1.00 30.10 H new ATOM 1195 N LEU A 72 -17.868 -10.154 -23.768 1.00 51.03 N ATOM 1196 CA LEU A 72 -18.199 -9.976 -25.178 1.00 3.30 C ATOM 1197 C LEU A 72 -19.299 -10.943 -25.605 1.00 74.33 C ATOM 1198 O LEU A 72 -19.996 -10.709 -26.592 1.00 53.42 O ATOM 1199 CB LEU A 72 -16.957 -10.183 -26.045 1.00 23.45 C ATOM 1200 CG LEU A 72 -16.695 -11.616 -26.512 1.00 24.13 C ATOM 1201 CD1 LEU A 72 -16.724 -12.575 -25.332 1.00 1.35 C ATOM 1202 CD2 LEU A 72 -17.715 -12.029 -27.562 1.00 60.02 C ATOM 0 H LEU A 72 -16.876 -10.303 -23.584 1.00 51.03 H new ATOM 0 HA LEU A 72 -18.563 -8.958 -25.314 1.00 3.30 H new ATOM 0 HB2 LEU A 72 -17.042 -9.545 -26.925 1.00 23.45 H new ATOM 0 HB3 LEU A 72 -16.087 -9.840 -25.486 1.00 23.45 H new ATOM 0 HG LEU A 72 -15.703 -11.656 -26.962 1.00 24.13 H new ATOM 0 HD11 LEU A 72 -16.536 -13.590 -25.683 1.00 1.35 H new ATOM 0 HD12 LEU A 72 -15.955 -12.291 -24.613 1.00 1.35 H new ATOM 0 HD13 LEU A 72 -17.702 -12.533 -24.853 1.00 1.35 H new ATOM 0 HD21 LEU A 72 -17.513 -13.051 -27.883 1.00 60.02 H new ATOM 0 HD22 LEU A 72 -18.717 -11.973 -27.137 1.00 60.02 H new ATOM 0 HD23 LEU A 72 -17.646 -11.359 -28.419 1.00 60.02 H new ATOM 1214 N TYR A 73 -19.449 -12.028 -24.854 1.00 33.13 N ATOM 1215 CA TYR A 73 -20.464 -13.031 -25.155 1.00 35.13 C ATOM 1216 C TYR A 73 -21.844 -12.563 -24.705 1.00 42.34 C ATOM 1217 O TYR A 73 -22.838 -12.748 -25.411 1.00 62.44 O ATOM 1218 CB TYR A 73 -20.117 -14.357 -24.477 1.00 30.44 C ATOM 1219 CG TYR A 73 -20.188 -15.549 -25.404 1.00 60.12 C ATOM 1220 CD1 TYR A 73 -21.362 -15.862 -26.077 1.00 14.34 C ATOM 1221 CD2 TYR A 73 -19.080 -16.361 -25.609 1.00 33.11 C ATOM 1222 CE1 TYR A 73 -21.432 -16.950 -26.925 1.00 35.21 C ATOM 1223 CE2 TYR A 73 -19.139 -17.451 -26.457 1.00 22.24 C ATOM 1224 CZ TYR A 73 -20.318 -17.742 -27.112 1.00 64.34 C ATOM 1225 OH TYR A 73 -20.382 -18.826 -27.957 1.00 13.51 O ATOM 0 H TYR A 73 -18.881 -12.236 -24.033 1.00 33.13 H new ATOM 0 HA TYR A 73 -20.485 -13.177 -26.235 1.00 35.13 H new ATOM 0 HB2 TYR A 73 -19.112 -14.290 -24.061 1.00 30.44 H new ATOM 0 HB3 TYR A 73 -20.798 -14.517 -23.641 1.00 30.44 H new ATOM 0 HD1 TYR A 73 -22.236 -15.244 -25.935 1.00 14.34 H new ATOM 0 HD2 TYR A 73 -18.156 -16.137 -25.097 1.00 33.11 H new ATOM 0 HE1 TYR A 73 -22.354 -17.179 -27.439 1.00 35.21 H new ATOM 0 HE2 TYR A 73 -18.267 -18.071 -26.606 1.00 22.24 H new ATOM 0 HH TYR A 73 -19.512 -19.277 -27.977 1.00 13.51 H new ATOM 1235 N LEU A 74 -21.899 -11.952 -23.527 1.00 12.24 N ATOM 1236 CA LEU A 74 -23.158 -11.454 -22.981 1.00 65.34 C ATOM 1237 C LEU A 74 -23.632 -10.222 -23.744 1.00 24.13 C ATOM 1238 O LEU A 74 -24.815 -10.090 -24.058 1.00 21.14 O ATOM 1239 CB LEU A 74 -22.994 -11.119 -21.497 1.00 43.21 C ATOM 1240 CG LEU A 74 -22.681 -12.297 -20.573 1.00 43.32 C ATOM 1241 CD1 LEU A 74 -21.198 -12.334 -20.241 1.00 24.31 C ATOM 1242 CD2 LEU A 74 -23.513 -12.213 -19.302 1.00 45.13 C ATOM 0 H LEU A 74 -21.087 -11.789 -22.931 1.00 12.24 H new ATOM 0 HA LEU A 74 -23.909 -12.236 -23.090 1.00 65.34 H new ATOM 0 HB2 LEU A 74 -22.196 -10.383 -21.397 1.00 43.21 H new ATOM 0 HB3 LEU A 74 -23.911 -10.644 -21.149 1.00 43.21 H new ATOM 0 HG LEU A 74 -22.939 -13.220 -21.091 1.00 43.32 H new ATOM 0 HD11 LEU A 74 -20.993 -13.178 -19.583 1.00 24.31 H new ATOM 0 HD12 LEU A 74 -20.622 -12.442 -21.160 1.00 24.31 H new ATOM 0 HD13 LEU A 74 -20.914 -11.408 -19.742 1.00 24.31 H new ATOM 0 HD21 LEU A 74 -23.277 -13.059 -18.656 1.00 45.13 H new ATOM 0 HD22 LEU A 74 -23.286 -11.284 -18.780 1.00 45.13 H new ATOM 0 HD23 LEU A 74 -24.572 -12.236 -19.558 1.00 45.13 H new ATOM 1254 N LYS A 75 -22.701 -9.322 -24.040 1.00 44.22 N ATOM 1255 CA LYS A 75 -23.022 -8.100 -24.769 1.00 50.11 C ATOM 1256 C LYS A 75 -23.081 -8.363 -26.270 1.00 55.33 C ATOM 1257 O LYS A 75 -23.680 -7.594 -27.022 1.00 15.31 O ATOM 1258 CB LYS A 75 -21.984 -7.016 -24.471 1.00 11.44 C ATOM 1259 CG LYS A 75 -21.882 -6.661 -22.998 1.00 33.50 C ATOM 1260 CD LYS A 75 -20.439 -6.429 -22.580 1.00 3.02 C ATOM 1261 CE LYS A 75 -19.895 -5.130 -23.153 1.00 5.12 C ATOM 1262 NZ LYS A 75 -20.280 -3.954 -22.325 1.00 21.15 N ATOM 0 H LYS A 75 -21.717 -9.415 -23.786 1.00 44.22 H new ATOM 0 HA LYS A 75 -24.002 -7.756 -24.439 1.00 50.11 H new ATOM 0 HB2 LYS A 75 -21.009 -7.352 -24.824 1.00 11.44 H new ATOM 0 HB3 LYS A 75 -22.236 -6.118 -25.036 1.00 11.44 H new ATOM 0 HG2 LYS A 75 -22.469 -5.765 -22.797 1.00 33.50 H new ATOM 0 HG3 LYS A 75 -22.311 -7.464 -22.399 1.00 33.50 H new ATOM 0 HD2 LYS A 75 -20.374 -6.404 -21.492 1.00 3.02 H new ATOM 0 HD3 LYS A 75 -19.823 -7.263 -22.917 1.00 3.02 H new ATOM 0 HE2 LYS A 75 -18.808 -5.189 -23.218 1.00 5.12 H new ATOM 0 HE3 LYS A 75 -20.268 -4.997 -24.169 1.00 5.12 H new ATOM 0 HZ1 LYS A 75 -19.890 -3.088 -22.749 1.00 21.15 H new ATOM 0 HZ2 LYS A 75 -21.317 -3.883 -22.284 1.00 21.15 H new ATOM 0 HZ3 LYS A 75 -19.903 -4.068 -21.363 1.00 21.15 H new ATOM 1276 N GLY A 76 -22.457 -9.455 -26.701 1.00 72.11 N ATOM 1277 CA GLY A 76 -22.452 -9.800 -28.111 1.00 54.40 C ATOM 1278 C GLY A 76 -21.438 -8.997 -28.901 1.00 70.13 C ATOM 1279 O GLY A 76 -21.488 -8.958 -30.130 1.00 31.04 O ATOM 0 H GLY A 76 -21.955 -10.107 -26.099 1.00 72.11 H new ATOM 0 HA2 GLY A 76 -22.235 -10.862 -28.221 1.00 54.40 H new ATOM 0 HA3 GLY A 76 -23.446 -9.633 -28.526 1.00 54.40 H new ATOM 1283 N ALA A 77 -20.515 -8.354 -28.194 1.00 62.34 N ATOM 1284 CA ALA A 77 -19.483 -7.549 -28.837 1.00 21.13 C ATOM 1285 C ALA A 77 -18.656 -8.388 -29.805 1.00 54.21 C ATOM 1286 O ALA A 77 -18.755 -9.615 -29.822 1.00 22.53 O ATOM 1287 CB ALA A 77 -18.584 -6.909 -27.788 1.00 52.54 C ATOM 0 H ALA A 77 -20.460 -8.375 -27.176 1.00 62.34 H new ATOM 0 HA ALA A 77 -19.974 -6.761 -29.409 1.00 21.13 H new ATOM 0 HB1 ALA A 77 -17.818 -6.311 -28.281 1.00 52.54 H new ATOM 0 HB2 ALA A 77 -19.181 -6.269 -27.138 1.00 52.54 H new ATOM 0 HB3 ALA A 77 -18.108 -7.688 -27.192 1.00 52.54 H new ATOM 1293 N THR A 78 -17.839 -7.718 -30.612 1.00 70.32 N ATOM 1294 CA THR A 78 -16.996 -8.401 -31.585 1.00 54.34 C ATOM 1295 C THR A 78 -15.522 -8.273 -31.222 1.00 23.12 C ATOM 1296 O THR A 78 -15.169 -7.620 -30.239 1.00 53.44 O ATOM 1297 CB THR A 78 -17.214 -7.846 -33.006 1.00 25.41 C ATOM 1298 OG1 THR A 78 -16.700 -6.512 -33.093 1.00 15.52 O ATOM 1299 CG2 THR A 78 -18.691 -7.851 -33.369 1.00 20.21 C ATOM 0 H THR A 78 -17.743 -6.702 -30.611 1.00 70.32 H new ATOM 0 HA THR A 78 -17.281 -9.453 -31.566 1.00 54.34 H new ATOM 0 HB THR A 78 -16.682 -8.487 -33.709 1.00 25.41 H new ATOM 0 HG1 THR A 78 -16.841 -6.166 -33.999 1.00 15.52 H new ATOM 0 HG21 THR A 78 -18.819 -7.455 -34.376 1.00 20.21 H new ATOM 0 HG22 THR A 78 -19.072 -8.871 -33.329 1.00 20.21 H new ATOM 0 HG23 THR A 78 -19.242 -7.230 -32.662 1.00 20.21 H new ATOM 1307 N VAL A 79 -14.663 -8.899 -32.021 1.00 2.31 N ATOM 1308 CA VAL A 79 -13.225 -8.853 -31.784 1.00 3.10 C ATOM 1309 C VAL A 79 -12.726 -7.413 -31.715 1.00 30.31 C ATOM 1310 O VAL A 79 -11.798 -7.102 -30.968 1.00 22.42 O ATOM 1311 CB VAL A 79 -12.451 -9.601 -32.885 1.00 33.54 C ATOM 1312 CG1 VAL A 79 -10.957 -9.584 -32.593 1.00 13.31 C ATOM 1313 CG2 VAL A 79 -12.961 -11.029 -33.017 1.00 43.13 C ATOM 0 H VAL A 79 -14.938 -9.444 -32.838 1.00 2.31 H new ATOM 0 HA VAL A 79 -13.045 -9.343 -30.827 1.00 3.10 H new ATOM 0 HB VAL A 79 -12.617 -9.091 -33.834 1.00 33.54 H new ATOM 0 HG11 VAL A 79 -10.426 -10.117 -33.382 1.00 13.31 H new ATOM 0 HG12 VAL A 79 -10.606 -8.553 -32.552 1.00 13.31 H new ATOM 0 HG13 VAL A 79 -10.768 -10.070 -31.636 1.00 13.31 H new ATOM 0 HG21 VAL A 79 -12.403 -11.544 -33.799 1.00 43.13 H new ATOM 0 HG22 VAL A 79 -12.826 -11.553 -32.071 1.00 43.13 H new ATOM 0 HG23 VAL A 79 -14.020 -11.015 -33.276 1.00 43.13 H new ATOM 1323 N TYR A 80 -13.347 -6.540 -32.499 1.00 63.12 N ATOM 1324 CA TYR A 80 -12.963 -5.133 -32.529 1.00 53.53 C ATOM 1325 C TYR A 80 -13.377 -4.428 -31.241 1.00 30.33 C ATOM 1326 O TYR A 80 -12.753 -3.451 -30.828 1.00 72.01 O ATOM 1327 CB TYR A 80 -13.600 -4.436 -33.732 1.00 2.51 C ATOM 1328 CG TYR A 80 -13.219 -2.977 -33.859 1.00 31.25 C ATOM 1329 CD1 TYR A 80 -12.048 -2.598 -34.501 1.00 54.23 C ATOM 1330 CD2 TYR A 80 -14.031 -1.979 -33.334 1.00 14.22 C ATOM 1331 CE1 TYR A 80 -11.696 -1.268 -34.618 1.00 41.11 C ATOM 1332 CE2 TYR A 80 -13.689 -0.646 -33.447 1.00 63.45 C ATOM 1333 CZ TYR A 80 -12.519 -0.295 -34.089 1.00 14.20 C ATOM 1334 OH TYR A 80 -12.172 1.031 -34.205 1.00 43.11 O ATOM 0 H TYR A 80 -14.118 -6.781 -33.122 1.00 63.12 H new ATOM 0 HA TYR A 80 -11.878 -5.080 -32.618 1.00 53.53 H new ATOM 0 HB2 TYR A 80 -13.307 -4.960 -34.642 1.00 2.51 H new ATOM 0 HB3 TYR A 80 -14.684 -4.514 -33.654 1.00 2.51 H new ATOM 0 HD1 TYR A 80 -11.401 -3.357 -34.916 1.00 54.23 H new ATOM 0 HD2 TYR A 80 -14.946 -2.251 -32.829 1.00 14.22 H new ATOM 0 HE1 TYR A 80 -10.781 -0.991 -35.121 1.00 41.11 H new ATOM 0 HE2 TYR A 80 -14.333 0.117 -33.036 1.00 63.45 H new ATOM 0 HH TYR A 80 -12.858 1.587 -33.781 1.00 43.11 H new ATOM 1344 N GLU A 81 -14.433 -4.933 -30.611 1.00 22.03 N ATOM 1345 CA GLU A 81 -14.930 -4.352 -29.369 1.00 12.21 C ATOM 1346 C GLU A 81 -14.019 -4.710 -28.198 1.00 0.44 C ATOM 1347 O GLU A 81 -13.552 -3.832 -27.472 1.00 31.33 O ATOM 1348 CB GLU A 81 -16.355 -4.836 -29.089 1.00 31.03 C ATOM 1349 CG GLU A 81 -17.424 -4.029 -29.805 1.00 32.50 C ATOM 1350 CD GLU A 81 -17.521 -4.368 -31.280 1.00 21.14 C ATOM 1351 OE1 GLU A 81 -16.625 -3.954 -32.044 1.00 41.54 O ATOM 1352 OE2 GLU A 81 -18.492 -5.049 -31.669 1.00 13.34 O ATOM 0 H GLU A 81 -14.960 -5.742 -30.940 1.00 22.03 H new ATOM 0 HA GLU A 81 -14.938 -3.268 -29.482 1.00 12.21 H new ATOM 0 HB2 GLU A 81 -16.440 -5.881 -29.387 1.00 31.03 H new ATOM 0 HB3 GLU A 81 -16.539 -4.795 -28.015 1.00 31.03 H new ATOM 0 HG2 GLU A 81 -18.389 -4.209 -29.330 1.00 32.50 H new ATOM 0 HG3 GLU A 81 -17.207 -2.967 -29.694 1.00 32.50 H new ATOM 1359 N ILE A 82 -13.775 -6.004 -28.021 1.00 60.52 N ATOM 1360 CA ILE A 82 -12.921 -6.477 -26.939 1.00 73.24 C ATOM 1361 C ILE A 82 -11.545 -5.822 -26.997 1.00 55.02 C ATOM 1362 O ILE A 82 -10.904 -5.606 -25.970 1.00 4.25 O ATOM 1363 CB ILE A 82 -12.751 -8.007 -26.985 1.00 22.43 C ATOM 1364 CG1 ILE A 82 -12.286 -8.450 -28.374 1.00 24.44 C ATOM 1365 CG2 ILE A 82 -14.055 -8.696 -26.613 1.00 13.34 C ATOM 1366 CD1 ILE A 82 -12.077 -9.944 -28.493 1.00 43.45 C ATOM 0 H ILE A 82 -14.156 -6.743 -28.612 1.00 60.52 H new ATOM 0 HA ILE A 82 -13.412 -6.201 -26.006 1.00 73.24 H new ATOM 0 HB ILE A 82 -11.990 -8.295 -26.259 1.00 22.43 H new ATOM 0 HG12 ILE A 82 -13.023 -8.134 -29.113 1.00 24.44 H new ATOM 0 HG13 ILE A 82 -11.353 -7.940 -28.616 1.00 24.44 H new ATOM 0 HG21 ILE A 82 -13.919 -9.777 -26.650 1.00 13.34 H new ATOM 0 HG22 ILE A 82 -14.348 -8.401 -25.605 1.00 13.34 H new ATOM 0 HG23 ILE A 82 -14.834 -8.404 -27.317 1.00 13.34 H new ATOM 0 HD11 ILE A 82 -11.748 -10.186 -29.504 1.00 43.45 H new ATOM 0 HD12 ILE A 82 -11.319 -10.263 -27.778 1.00 43.45 H new ATOM 0 HD13 ILE A 82 -13.014 -10.460 -28.283 1.00 43.45 H new ATOM 1378 N ALA A 83 -11.096 -5.509 -28.209 1.00 51.32 N ATOM 1379 CA ALA A 83 -9.798 -4.875 -28.402 1.00 1.32 C ATOM 1380 C ALA A 83 -9.692 -3.584 -27.597 1.00 71.41 C ATOM 1381 O ALA A 83 -8.711 -3.363 -26.886 1.00 53.14 O ATOM 1382 CB ALA A 83 -9.561 -4.597 -29.879 1.00 75.31 C ATOM 0 H ALA A 83 -11.612 -5.684 -29.071 1.00 51.32 H new ATOM 0 HA ALA A 83 -9.030 -5.561 -28.044 1.00 1.32 H new ATOM 0 HB1 ALA A 83 -8.588 -4.123 -30.009 1.00 75.31 H new ATOM 0 HB2 ALA A 83 -9.585 -5.535 -30.434 1.00 75.31 H new ATOM 0 HB3 ALA A 83 -10.340 -3.933 -30.254 1.00 75.31 H new ATOM 1388 N ARG A 84 -10.707 -2.734 -27.713 1.00 32.24 N ATOM 1389 CA ARG A 84 -10.727 -1.465 -26.997 1.00 65.25 C ATOM 1390 C ARG A 84 -10.976 -1.684 -25.508 1.00 65.41 C ATOM 1391 O ARG A 84 -10.517 -0.906 -24.671 1.00 33.43 O ATOM 1392 CB ARG A 84 -11.804 -0.545 -27.575 1.00 70.42 C ATOM 1393 CG ARG A 84 -11.267 0.474 -28.567 1.00 23.43 C ATOM 1394 CD ARG A 84 -12.000 0.397 -29.897 1.00 31.45 C ATOM 1395 NE ARG A 84 -13.217 1.204 -29.898 1.00 12.33 N ATOM 1396 CZ ARG A 84 -13.220 2.530 -29.978 1.00 75.31 C ATOM 1397 NH1 ARG A 84 -12.075 3.194 -30.063 1.00 21.02 N ATOM 1398 NH2 ARG A 84 -14.368 3.193 -29.974 1.00 4.23 N ATOM 0 H ARG A 84 -11.527 -2.902 -28.297 1.00 32.24 H new ATOM 0 HA ARG A 84 -9.752 -0.993 -27.119 1.00 65.25 H new ATOM 0 HB2 ARG A 84 -12.563 -1.153 -28.067 1.00 70.42 H new ATOM 0 HB3 ARG A 84 -12.297 -0.019 -26.758 1.00 70.42 H new ATOM 0 HG2 ARG A 84 -11.369 1.477 -28.152 1.00 23.43 H new ATOM 0 HG3 ARG A 84 -10.203 0.302 -28.727 1.00 23.43 H new ATOM 0 HD2 ARG A 84 -11.340 0.736 -30.695 1.00 31.45 H new ATOM 0 HD3 ARG A 84 -12.253 -0.641 -30.112 1.00 31.45 H new ATOM 0 HE ARG A 84 -14.114 0.723 -29.834 1.00 12.33 H new ATOM 0 HH11 ARG A 84 -11.190 2.686 -30.067 1.00 21.02 H new ATOM 0 HH12 ARG A 84 -12.079 4.212 -30.124 1.00 21.02 H new ATOM 0 HH21 ARG A 84 -15.250 2.685 -29.909 1.00 4.23 H new ATOM 0 HH22 ARG A 84 -14.369 4.211 -30.035 1.00 4.23 H new ATOM 1412 N GLN A 85 -11.705 -2.747 -25.185 1.00 35.44 N ATOM 1413 CA GLN A 85 -12.016 -3.068 -23.796 1.00 72.14 C ATOM 1414 C GLN A 85 -10.759 -3.487 -23.040 1.00 72.14 C ATOM 1415 O GLN A 85 -10.418 -2.904 -22.011 1.00 53.13 O ATOM 1416 CB GLN A 85 -13.061 -4.183 -23.731 1.00 25.15 C ATOM 1417 CG GLN A 85 -13.538 -4.486 -22.319 1.00 71.32 C ATOM 1418 CD GLN A 85 -14.116 -3.270 -21.623 1.00 74.34 C ATOM 1419 OE1 GLN A 85 -13.396 -2.511 -20.974 1.00 14.34 O ATOM 1420 NE2 GLN A 85 -15.423 -3.077 -21.758 1.00 25.33 N ATOM 0 H GLN A 85 -12.092 -3.401 -25.866 1.00 35.44 H new ATOM 0 HA GLN A 85 -12.420 -2.173 -23.323 1.00 72.14 H new ATOM 0 HB2 GLN A 85 -13.918 -3.903 -24.343 1.00 25.15 H new ATOM 0 HB3 GLN A 85 -12.641 -5.090 -24.166 1.00 25.15 H new ATOM 0 HG2 GLN A 85 -14.293 -5.271 -22.356 1.00 71.32 H new ATOM 0 HG3 GLN A 85 -12.704 -4.873 -21.733 1.00 71.32 H new ATOM 0 HE21 GLN A 85 -15.981 -3.732 -22.305 1.00 25.33 H new ATOM 0 HE22 GLN A 85 -15.868 -2.274 -21.314 1.00 25.33 H new ATOM 1429 N LEU A 86 -10.075 -4.502 -23.558 1.00 24.30 N ATOM 1430 CA LEU A 86 -8.855 -5.000 -22.931 1.00 14.03 C ATOM 1431 C LEU A 86 -7.715 -4.000 -23.089 1.00 64.32 C ATOM 1432 O LEU A 86 -6.718 -4.061 -22.368 1.00 10.21 O ATOM 1433 CB LEU A 86 -8.458 -6.345 -23.541 1.00 21.43 C ATOM 1434 CG LEU A 86 -9.101 -7.583 -22.913 1.00 51.15 C ATOM 1435 CD1 LEU A 86 -8.739 -7.683 -21.439 1.00 2.42 C ATOM 1436 CD2 LEU A 86 -10.611 -7.548 -23.093 1.00 23.35 C ATOM 0 H LEU A 86 -10.344 -4.996 -24.409 1.00 24.30 H new ATOM 0 HA LEU A 86 -9.050 -5.134 -21.867 1.00 14.03 H new ATOM 0 HB2 LEU A 86 -8.709 -6.328 -24.602 1.00 21.43 H new ATOM 0 HB3 LEU A 86 -7.375 -6.448 -23.471 1.00 21.43 H new ATOM 0 HG LEU A 86 -8.715 -8.467 -23.421 1.00 51.15 H new ATOM 0 HD11 LEU A 86 -9.205 -8.570 -21.009 1.00 2.42 H new ATOM 0 HD12 LEU A 86 -7.656 -7.755 -21.334 1.00 2.42 H new ATOM 0 HD13 LEU A 86 -9.096 -6.796 -20.916 1.00 2.42 H new ATOM 0 HD21 LEU A 86 -11.052 -8.436 -22.640 1.00 23.35 H new ATOM 0 HD22 LEU A 86 -11.014 -6.657 -22.612 1.00 23.35 H new ATOM 0 HD23 LEU A 86 -10.850 -7.526 -24.156 1.00 23.35 H new ATOM 1448 N GLY A 87 -7.868 -3.079 -24.035 1.00 74.42 N ATOM 1449 CA GLY A 87 -6.844 -2.078 -24.269 1.00 41.14 C ATOM 1450 C GLY A 87 -5.762 -2.564 -25.213 1.00 61.20 C ATOM 1451 O GLY A 87 -4.661 -2.013 -25.243 1.00 21.25 O ATOM 0 H GLY A 87 -8.683 -3.008 -24.644 1.00 74.42 H new ATOM 0 HA2 GLY A 87 -7.305 -1.181 -24.681 1.00 41.14 H new ATOM 0 HA3 GLY A 87 -6.392 -1.796 -23.318 1.00 41.14 H new ATOM 1455 N ARG A 88 -6.074 -3.601 -25.983 1.00 33.40 N ATOM 1456 CA ARG A 88 -5.119 -4.164 -26.930 1.00 42.12 C ATOM 1457 C ARG A 88 -5.539 -3.868 -28.367 1.00 33.22 C ATOM 1458 O ARG A 88 -6.719 -3.690 -28.671 1.00 22.23 O ATOM 1459 CB ARG A 88 -4.993 -5.675 -26.725 1.00 4.45 C ATOM 1460 CG ARG A 88 -4.726 -6.072 -25.282 1.00 22.02 C ATOM 1461 CD ARG A 88 -3.294 -5.765 -24.876 1.00 22.51 C ATOM 1462 NE ARG A 88 -3.209 -4.587 -24.016 1.00 21.24 N ATOM 1463 CZ ARG A 88 -3.662 -4.554 -22.767 1.00 62.31 C ATOM 1464 NH1 ARG A 88 -4.226 -5.629 -22.235 1.00 62.20 N ATOM 1465 NH2 ARG A 88 -3.548 -3.444 -22.048 1.00 35.53 N ATOM 0 H ARG A 88 -6.981 -4.068 -25.970 1.00 33.40 H new ATOM 0 HA ARG A 88 -4.150 -3.698 -26.749 1.00 42.12 H new ATOM 0 HB2 ARG A 88 -5.911 -6.157 -27.062 1.00 4.45 H new ATOM 0 HB3 ARG A 88 -4.186 -6.053 -27.353 1.00 4.45 H new ATOM 0 HG2 ARG A 88 -5.414 -5.541 -24.624 1.00 22.02 H new ATOM 0 HG3 ARG A 88 -4.921 -7.137 -25.154 1.00 22.02 H new ATOM 0 HD2 ARG A 88 -2.873 -6.625 -24.355 1.00 22.51 H new ATOM 0 HD3 ARG A 88 -2.690 -5.606 -25.769 1.00 22.51 H new ATOM 0 HE ARG A 88 -2.778 -3.744 -24.395 1.00 21.24 H new ATOM 0 HH11 ARG A 88 -4.313 -6.484 -22.784 1.00 62.20 H new ATOM 0 HH12 ARG A 88 -4.573 -5.601 -21.276 1.00 62.20 H new ATOM 0 HH21 ARG A 88 -3.113 -2.616 -22.454 1.00 35.53 H new ATOM 0 HH22 ARG A 88 -3.896 -3.419 -21.089 1.00 35.53 H new ATOM 1479 N PRO A 89 -4.552 -3.815 -29.274 1.00 11.21 N ATOM 1480 CA PRO A 89 -4.795 -3.542 -30.693 1.00 44.54 C ATOM 1481 C PRO A 89 -5.507 -4.695 -31.392 1.00 65.21 C ATOM 1482 O PRO A 89 -6.517 -4.496 -32.064 1.00 13.33 O ATOM 1483 CB PRO A 89 -3.387 -3.357 -31.265 1.00 51.52 C ATOM 1484 CG PRO A 89 -2.501 -4.127 -30.348 1.00 33.33 C ATOM 1485 CD PRO A 89 -3.122 -4.017 -28.982 1.00 54.33 C ATOM 0 HA PRO A 89 -5.445 -2.679 -30.836 1.00 44.54 H new ATOM 0 HB2 PRO A 89 -3.322 -3.733 -32.286 1.00 51.52 H new ATOM 0 HB3 PRO A 89 -3.107 -2.304 -31.294 1.00 51.52 H new ATOM 0 HG2 PRO A 89 -2.427 -5.169 -30.660 1.00 33.33 H new ATOM 0 HG3 PRO A 89 -1.489 -3.721 -30.351 1.00 33.33 H new ATOM 0 HD2 PRO A 89 -2.956 -4.918 -28.391 1.00 54.33 H new ATOM 0 HD3 PRO A 89 -2.705 -3.183 -28.417 1.00 54.33 H new ATOM 1493 N GLU A 90 -4.972 -5.901 -31.228 1.00 62.05 N ATOM 1494 CA GLU A 90 -5.557 -7.086 -31.845 1.00 23.33 C ATOM 1495 C GLU A 90 -4.706 -8.321 -31.566 1.00 62.15 C ATOM 1496 O GLU A 90 -5.227 -9.389 -31.247 1.00 51.31 O ATOM 1497 CB GLU A 90 -5.703 -6.883 -33.353 1.00 50.33 C ATOM 1498 CG GLU A 90 -7.137 -6.995 -33.847 1.00 64.24 C ATOM 1499 CD GLU A 90 -7.267 -7.901 -35.055 1.00 15.42 C ATOM 1500 OE1 GLU A 90 -7.408 -9.128 -34.866 1.00 0.53 O ATOM 1501 OE2 GLU A 90 -7.231 -7.384 -36.191 1.00 14.50 O ATOM 0 H GLU A 90 -4.135 -6.083 -30.674 1.00 62.05 H new ATOM 0 HA GLU A 90 -6.544 -7.241 -31.410 1.00 23.33 H new ATOM 0 HB2 GLU A 90 -5.312 -5.901 -33.618 1.00 50.33 H new ATOM 0 HB3 GLU A 90 -5.090 -7.621 -33.871 1.00 50.33 H new ATOM 0 HG2 GLU A 90 -7.766 -7.376 -33.042 1.00 64.24 H new ATOM 0 HG3 GLU A 90 -7.509 -6.002 -34.100 1.00 64.24 H new ATOM 1508 N SER A 91 -3.391 -8.166 -31.689 1.00 73.44 N ATOM 1509 CA SER A 91 -2.465 -9.269 -31.456 1.00 11.52 C ATOM 1510 C SER A 91 -2.753 -9.945 -30.118 1.00 72.52 C ATOM 1511 O SER A 91 -2.949 -11.159 -30.052 1.00 42.31 O ATOM 1512 CB SER A 91 -1.021 -8.766 -31.487 1.00 25.43 C ATOM 1513 OG SER A 91 -0.124 -9.764 -31.031 1.00 63.13 O ATOM 0 H SER A 91 -2.943 -7.287 -31.949 1.00 73.44 H new ATOM 0 HA SER A 91 -2.603 -10.002 -32.251 1.00 11.52 H new ATOM 0 HB2 SER A 91 -0.757 -8.472 -32.503 1.00 25.43 H new ATOM 0 HB3 SER A 91 -0.929 -7.877 -30.863 1.00 25.43 H new ATOM 0 HG SER A 91 0.793 -9.419 -31.062 1.00 63.13 H new ATOM 1519 N THR A 92 -2.776 -9.150 -29.053 1.00 1.40 N ATOM 1520 CA THR A 92 -3.037 -9.670 -27.717 1.00 42.44 C ATOM 1521 C THR A 92 -4.308 -10.512 -27.693 1.00 74.53 C ATOM 1522 O THR A 92 -4.310 -11.632 -27.182 1.00 11.10 O ATOM 1523 CB THR A 92 -3.172 -8.531 -26.688 1.00 62.43 C ATOM 1524 OG1 THR A 92 -2.252 -7.478 -26.999 1.00 3.02 O ATOM 1525 CG2 THR A 92 -2.908 -9.041 -25.279 1.00 53.53 C ATOM 0 H THR A 92 -2.617 -8.143 -29.090 1.00 1.40 H new ATOM 0 HA THR A 92 -2.185 -10.295 -27.449 1.00 42.44 H new ATOM 0 HB THR A 92 -4.191 -8.148 -26.734 1.00 62.43 H new ATOM 0 HG1 THR A 92 -1.544 -7.451 -26.321 1.00 3.02 H new ATOM 0 HG21 THR A 92 -3.009 -8.219 -24.570 1.00 53.53 H new ATOM 0 HG22 THR A 92 -3.628 -9.822 -25.034 1.00 53.53 H new ATOM 0 HG23 THR A 92 -1.898 -9.447 -25.222 1.00 53.53 H new ATOM 1533 N ILE A 93 -5.384 -9.967 -28.250 1.00 34.42 N ATOM 1534 CA ILE A 93 -6.659 -10.672 -28.294 1.00 43.43 C ATOM 1535 C ILE A 93 -6.495 -12.071 -28.876 1.00 32.12 C ATOM 1536 O ILE A 93 -7.073 -13.035 -28.375 1.00 5.35 O ATOM 1537 CB ILE A 93 -7.699 -9.900 -29.129 1.00 40.14 C ATOM 1538 CG1 ILE A 93 -7.909 -8.498 -28.553 1.00 73.02 C ATOM 1539 CG2 ILE A 93 -9.015 -10.663 -29.172 1.00 62.01 C ATOM 1540 CD1 ILE A 93 -8.480 -8.499 -27.152 1.00 74.15 C ATOM 0 H ILE A 93 -5.398 -9.041 -28.677 1.00 34.42 H new ATOM 0 HA ILE A 93 -7.013 -10.749 -27.266 1.00 43.43 H new ATOM 0 HB ILE A 93 -7.324 -9.801 -30.148 1.00 40.14 H new ATOM 0 HG12 ILE A 93 -6.956 -7.970 -28.548 1.00 73.02 H new ATOM 0 HG13 ILE A 93 -8.578 -7.941 -29.209 1.00 73.02 H new ATOM 0 HG21 ILE A 93 -9.740 -10.105 -29.765 1.00 62.01 H new ATOM 0 HG22 ILE A 93 -8.853 -11.642 -29.623 1.00 62.01 H new ATOM 0 HG23 ILE A 93 -9.396 -10.789 -28.158 1.00 62.01 H new ATOM 0 HD11 ILE A 93 -8.602 -7.472 -26.808 1.00 74.15 H new ATOM 0 HD12 ILE A 93 -9.449 -8.998 -27.154 1.00 74.15 H new ATOM 0 HD13 ILE A 93 -7.801 -9.027 -26.483 1.00 74.15 H new ATOM 1552 N TYR A 94 -5.701 -12.176 -29.936 1.00 71.12 N ATOM 1553 CA TYR A 94 -5.460 -13.458 -30.587 1.00 20.40 C ATOM 1554 C TYR A 94 -4.898 -14.474 -29.596 1.00 14.23 C ATOM 1555 O TYR A 94 -5.258 -15.652 -29.626 1.00 52.43 O ATOM 1556 CB TYR A 94 -4.494 -13.285 -31.759 1.00 53.34 C ATOM 1557 CG TYR A 94 -4.425 -14.491 -32.671 1.00 41.50 C ATOM 1558 CD1 TYR A 94 -3.525 -15.519 -32.427 1.00 35.21 C ATOM 1559 CD2 TYR A 94 -5.263 -14.599 -33.774 1.00 41.21 C ATOM 1560 CE1 TYR A 94 -3.459 -16.622 -33.258 1.00 73.00 C ATOM 1561 CE2 TYR A 94 -5.205 -15.698 -34.609 1.00 51.42 C ATOM 1562 CZ TYR A 94 -4.301 -16.707 -34.348 1.00 23.14 C ATOM 1563 OH TYR A 94 -4.240 -17.803 -35.175 1.00 72.34 O ATOM 0 H TYR A 94 -5.213 -11.388 -30.363 1.00 71.12 H new ATOM 0 HA TYR A 94 -6.413 -13.831 -30.963 1.00 20.40 H new ATOM 0 HB2 TYR A 94 -4.796 -12.415 -32.343 1.00 53.34 H new ATOM 0 HB3 TYR A 94 -3.497 -13.077 -31.370 1.00 53.34 H new ATOM 0 HD1 TYR A 94 -2.865 -15.456 -31.574 1.00 35.21 H new ATOM 0 HD2 TYR A 94 -5.971 -13.811 -33.982 1.00 41.21 H new ATOM 0 HE1 TYR A 94 -2.752 -17.413 -33.055 1.00 73.00 H new ATOM 0 HE2 TYR A 94 -5.864 -15.767 -35.462 1.00 51.42 H new ATOM 0 HH TYR A 94 -4.900 -17.708 -35.894 1.00 72.34 H new