USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 25 LYS NZ :NH3+ -146:sc= 1.22 (180deg=-0.198) USER MOD Set 1.2: A 70 SER OG : rot -110:sc= 1.05 USER MOD Set 2.1: A 23 SER OG : rot -68:sc= 0.166 USER MOD Set 2.2: A 74 THR OG1 : rot 180:sc= 0.167 USER MOD Set 3.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 86 LYS NZ :NH3+ 178:sc= -0.323 (180deg=-0.33) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 18 THR OG1 : rot -60:sc= -0.541 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc=-0.00451 K(o=-0.0045,f=-3.1) USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00269) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -111:sc= -1.11 (180deg=-3.13) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 73:sc= 0.708 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0385) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0779 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0.852 (180deg=0.844) USER MOD Single : A 77 ASN : amide:sc= -0.273 K(o=-0.27,f=-3.3!) USER MOD Single : A 83 ASN : amide:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc=-0.00986 USER MOD Single : A 92 THR OG1 : rot 79:sc= 1.07 USER MOD Single : A 94 MET CE :methyl -168:sc= -0.144 (180deg=-0.338) USER MOD Single : A 99 SER OG : rot 180:sc= -0.015 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0127 USER MOD ----------------------------------------------------------------- ATOM 201 N ILE A 13 0.038 -4.712 11.462 1.00 43.21 N ATOM 202 CA ILE A 13 0.611 -3.805 10.459 1.00 72.12 C ATOM 203 C ILE A 13 1.252 -2.633 11.207 1.00 3.11 C ATOM 204 O ILE A 13 0.544 -1.793 11.782 1.00 44.23 O ATOM 205 CB ILE A 13 -0.455 -3.270 9.428 1.00 15.12 C ATOM 206 CG1 ILE A 13 -1.247 -4.450 8.784 1.00 32.14 C ATOM 207 CG2 ILE A 13 0.228 -2.403 8.333 1.00 0.45 C ATOM 208 CD1 ILE A 13 -2.397 -4.029 7.889 1.00 0.33 C ATOM 0 HA ILE A 13 1.345 -4.357 9.872 1.00 72.12 H new ATOM 0 HB ILE A 13 -1.164 -2.643 9.968 1.00 15.12 H new ATOM 0 HG12 ILE A 13 -0.555 -5.059 8.201 1.00 32.14 H new ATOM 0 HG13 ILE A 13 -1.637 -5.084 9.580 1.00 32.14 H new ATOM 0 HG21 ILE A 13 -0.525 -2.044 7.631 1.00 0.45 H new ATOM 0 HG22 ILE A 13 0.725 -1.552 8.800 1.00 0.45 H new ATOM 0 HG23 ILE A 13 0.964 -3.004 7.799 1.00 0.45 H new ATOM 0 HD11 ILE A 13 -2.888 -4.915 7.487 1.00 0.33 H new ATOM 0 HD12 ILE A 13 -3.115 -3.448 8.468 1.00 0.33 H new ATOM 0 HD13 ILE A 13 -2.016 -3.421 7.068 1.00 0.33 H new ATOM 220 N GLN A 14 2.587 -2.605 11.223 1.00 43.20 N ATOM 221 CA GLN A 14 3.370 -1.584 11.940 1.00 41.52 C ATOM 222 C GLN A 14 3.908 -0.558 10.932 1.00 32.13 C ATOM 223 O GLN A 14 4.118 -0.879 9.758 1.00 72.02 O ATOM 224 CB GLN A 14 4.532 -2.244 12.737 1.00 33.43 C ATOM 225 CG GLN A 14 5.542 -3.018 11.880 1.00 13.35 C ATOM 226 CD GLN A 14 6.710 -3.576 12.690 1.00 24.02 C ATOM 227 OE1 GLN A 14 7.740 -2.918 12.856 1.00 43.24 O ATOM 228 NE2 GLN A 14 6.556 -4.779 13.216 1.00 33.41 N ATOM 0 H GLN A 14 3.163 -3.293 10.737 1.00 43.20 H new ATOM 0 HA GLN A 14 2.727 -1.073 12.657 1.00 41.52 H new ATOM 0 HB2 GLN A 14 5.063 -1.467 13.287 1.00 33.43 H new ATOM 0 HB3 GLN A 14 4.107 -2.924 13.475 1.00 33.43 H new ATOM 0 HG2 GLN A 14 5.030 -3.839 11.378 1.00 13.35 H new ATOM 0 HG3 GLN A 14 5.929 -2.360 11.101 1.00 13.35 H new ATOM 0 HE21 GLN A 14 5.691 -5.297 13.060 1.00 33.41 H new ATOM 0 HE22 GLN A 14 7.302 -5.189 13.778 1.00 33.41 H new ATOM 237 N THR A 15 4.107 0.673 11.396 1.00 2.11 N ATOM 238 CA THR A 15 4.656 1.762 10.579 1.00 54.34 C ATOM 239 C THR A 15 6.130 1.994 10.926 1.00 33.52 C ATOM 240 O THR A 15 6.516 1.952 12.100 1.00 41.35 O ATOM 241 CB THR A 15 3.828 3.073 10.776 1.00 60.31 C ATOM 242 OG1 THR A 15 3.666 3.353 12.181 1.00 3.44 O ATOM 243 CG2 THR A 15 2.448 2.955 10.118 1.00 12.54 C ATOM 0 H THR A 15 3.892 0.949 12.354 1.00 2.11 H new ATOM 0 HA THR A 15 4.589 1.475 9.530 1.00 54.34 H new ATOM 0 HB THR A 15 4.374 3.889 10.302 1.00 60.31 H new ATOM 0 HG1 THR A 15 3.147 4.177 12.293 1.00 3.44 H new ATOM 0 HG21 THR A 15 1.892 3.880 10.270 1.00 12.54 H new ATOM 0 HG22 THR A 15 2.568 2.775 9.050 1.00 12.54 H new ATOM 0 HG23 THR A 15 1.901 2.126 10.566 1.00 12.54 H new ATOM 251 N GLN A 16 6.950 2.209 9.888 1.00 73.12 N ATOM 252 CA GLN A 16 8.372 2.553 10.030 1.00 54.32 C ATOM 253 C GLN A 16 8.679 3.823 9.225 1.00 75.20 C ATOM 254 O GLN A 16 8.156 4.001 8.116 1.00 22.01 O ATOM 255 CB GLN A 16 9.261 1.381 9.551 1.00 43.14 C ATOM 256 CG GLN A 16 10.775 1.669 9.597 1.00 71.45 C ATOM 257 CD GLN A 16 11.631 0.481 9.186 1.00 70.24 C ATOM 258 OE1 GLN A 16 11.943 0.298 8.006 1.00 4.41 O ATOM 259 NE2 GLN A 16 12.032 -0.333 10.153 1.00 24.01 N ATOM 0 H GLN A 16 6.642 2.149 8.917 1.00 73.12 H new ATOM 0 HA GLN A 16 8.590 2.738 11.082 1.00 54.32 H new ATOM 0 HB2 GLN A 16 9.051 0.507 10.167 1.00 43.14 H new ATOM 0 HB3 GLN A 16 8.983 1.125 8.529 1.00 43.14 H new ATOM 0 HG2 GLN A 16 10.997 2.511 8.941 1.00 71.45 H new ATOM 0 HG3 GLN A 16 11.049 1.972 10.608 1.00 71.45 H new ATOM 0 HE21 GLN A 16 11.756 -0.153 11.118 1.00 24.01 H new ATOM 0 HE22 GLN A 16 12.616 -1.139 9.931 1.00 24.01 H new ATOM 268 N ASP A 17 9.542 4.685 9.798 1.00 1.51 N ATOM 269 CA ASP A 17 10.011 5.923 9.161 1.00 25.13 C ATOM 270 C ASP A 17 10.695 5.627 7.813 1.00 61.05 C ATOM 271 O ASP A 17 11.576 4.767 7.720 1.00 64.31 O ATOM 272 CB ASP A 17 10.985 6.675 10.106 1.00 72.32 C ATOM 273 CG ASP A 17 11.716 7.864 9.444 1.00 23.45 C ATOM 274 OD1 ASP A 17 11.033 8.788 8.939 1.00 50.11 O ATOM 275 OD2 ASP A 17 12.970 7.866 9.413 1.00 41.42 O ATOM 0 H ASP A 17 9.935 4.536 10.727 1.00 1.51 H new ATOM 0 HA ASP A 17 9.145 6.556 8.968 1.00 25.13 H new ATOM 0 HB2 ASP A 17 10.428 7.040 10.969 1.00 72.32 H new ATOM 0 HB3 ASP A 17 11.727 5.970 10.481 1.00 72.32 H new ATOM 280 N THR A 18 10.247 6.358 6.791 1.00 44.02 N ATOM 281 CA THR A 18 10.686 6.228 5.394 1.00 22.53 C ATOM 282 C THR A 18 11.393 7.564 5.008 1.00 71.21 C ATOM 283 O THR A 18 10.975 8.623 5.505 1.00 31.11 O ATOM 284 CB THR A 18 9.421 5.932 4.494 1.00 74.34 C ATOM 285 OG1 THR A 18 8.455 5.200 5.270 1.00 22.01 O ATOM 286 CG2 THR A 18 9.729 5.093 3.245 1.00 13.11 C ATOM 0 H THR A 18 9.542 7.085 6.914 1.00 44.02 H new ATOM 0 HA THR A 18 11.387 5.406 5.249 1.00 22.53 H new ATOM 0 HB THR A 18 9.052 6.903 4.163 1.00 74.34 H new ATOM 0 HG1 THR A 18 8.850 4.355 5.571 1.00 22.01 H new ATOM 0 HG21 THR A 18 8.811 4.932 2.679 1.00 13.11 H new ATOM 0 HG22 THR A 18 10.452 5.620 2.622 1.00 13.11 H new ATOM 0 HG23 THR A 18 10.143 4.131 3.546 1.00 13.11 H new ATOM 294 N PRO A 19 12.474 7.544 4.143 1.00 61.54 N ATOM 295 CA PRO A 19 13.316 8.747 3.858 1.00 34.34 C ATOM 296 C PRO A 19 12.505 9.977 3.376 1.00 1.41 C ATOM 297 O PRO A 19 12.838 11.114 3.726 1.00 75.11 O ATOM 298 CB PRO A 19 14.305 8.251 2.771 1.00 42.45 C ATOM 299 CG PRO A 19 14.362 6.763 2.970 1.00 41.40 C ATOM 300 CD PRO A 19 12.958 6.367 3.375 1.00 75.32 C ATOM 0 HA PRO A 19 13.809 9.110 4.760 1.00 34.34 H new ATOM 0 HB2 PRO A 19 13.956 8.505 1.770 1.00 42.45 H new ATOM 0 HB3 PRO A 19 15.288 8.706 2.891 1.00 42.45 H new ATOM 0 HG2 PRO A 19 14.667 6.254 2.056 1.00 41.40 H new ATOM 0 HG3 PRO A 19 15.085 6.495 3.740 1.00 41.40 H new ATOM 0 HD2 PRO A 19 12.330 6.169 2.506 1.00 75.32 H new ATOM 0 HD3 PRO A 19 12.956 5.462 3.983 1.00 75.32 H new ATOM 308 N ASN A 20 11.448 9.738 2.573 1.00 1.24 N ATOM 309 CA ASN A 20 10.472 10.791 2.210 1.00 53.45 C ATOM 310 C ASN A 20 9.302 10.788 3.218 1.00 54.20 C ATOM 311 O ASN A 20 8.750 9.722 3.487 1.00 24.51 O ATOM 312 CB ASN A 20 9.916 10.580 0.777 1.00 74.14 C ATOM 313 CG ASN A 20 10.961 10.844 -0.308 1.00 55.35 C ATOM 314 OD1 ASN A 20 11.631 9.933 -0.778 1.00 44.44 O ATOM 315 ND2 ASN A 20 11.127 12.102 -0.693 1.00 63.14 N ATOM 0 H ASN A 20 11.247 8.826 2.163 1.00 1.24 H new ATOM 0 HA ASN A 20 10.988 11.750 2.239 1.00 53.45 H new ATOM 0 HB2 ASN A 20 9.549 9.558 0.681 1.00 74.14 H new ATOM 0 HB3 ASN A 20 9.063 11.241 0.622 1.00 74.14 H new ATOM 0 HD21 ASN A 20 11.827 12.331 -1.398 1.00 63.14 H new ATOM 0 HD22 ASN A 20 10.554 12.840 -0.284 1.00 63.14 H new ATOM 322 N PRO A 21 8.903 11.974 3.797 1.00 70.40 N ATOM 323 CA PRO A 21 7.712 12.072 4.696 1.00 34.14 C ATOM 324 C PRO A 21 6.367 11.880 3.949 1.00 72.20 C ATOM 325 O PRO A 21 5.340 11.574 4.573 1.00 10.45 O ATOM 326 CB PRO A 21 7.839 13.496 5.304 1.00 51.44 C ATOM 327 CG PRO A 21 8.628 14.276 4.289 1.00 24.43 C ATOM 328 CD PRO A 21 9.600 13.289 3.667 1.00 50.21 C ATOM 0 HA PRO A 21 7.700 11.282 5.447 1.00 34.14 H new ATOM 0 HB2 PRO A 21 6.859 13.943 5.473 1.00 51.44 H new ATOM 0 HB3 PRO A 21 8.348 13.471 6.267 1.00 51.44 H new ATOM 0 HG2 PRO A 21 7.972 14.707 3.533 1.00 24.43 H new ATOM 0 HG3 PRO A 21 9.159 15.103 4.760 1.00 24.43 H new ATOM 0 HD2 PRO A 21 9.805 13.532 2.624 1.00 50.21 H new ATOM 0 HD3 PRO A 21 10.557 13.288 4.188 1.00 50.21 H new ATOM 336 N ASN A 22 6.375 12.066 2.613 1.00 23.53 N ATOM 337 CA ASN A 22 5.190 11.789 1.764 1.00 64.11 C ATOM 338 C ASN A 22 4.982 10.271 1.591 1.00 20.54 C ATOM 339 O ASN A 22 3.873 9.819 1.328 1.00 74.22 O ATOM 340 CB ASN A 22 5.280 12.499 0.377 1.00 74.54 C ATOM 341 CG ASN A 22 5.068 14.022 0.450 1.00 44.31 C ATOM 342 OD1 ASN A 22 4.411 14.536 1.359 1.00 1.11 O ATOM 343 ND2 ASN A 22 5.579 14.746 -0.530 1.00 2.13 N ATOM 0 H ASN A 22 7.186 12.406 2.096 1.00 23.53 H new ATOM 0 HA ASN A 22 4.323 12.201 2.279 1.00 64.11 H new ATOM 0 HB2 ASN A 22 6.257 12.297 -0.063 1.00 74.54 H new ATOM 0 HB3 ASN A 22 4.534 12.068 -0.291 1.00 74.54 H new ATOM 0 HD21 ASN A 22 5.434 15.756 -0.547 1.00 2.13 H new ATOM 0 HD22 ASN A 22 6.118 14.295 -1.269 1.00 2.13 H new ATOM 350 N SER A 23 6.060 9.497 1.778 1.00 1.54 N ATOM 351 CA SER A 23 6.029 8.024 1.699 1.00 21.24 C ATOM 352 C SER A 23 6.058 7.445 3.120 1.00 21.53 C ATOM 353 O SER A 23 6.684 8.021 4.014 1.00 41.40 O ATOM 354 CB SER A 23 7.230 7.517 0.873 1.00 20.54 C ATOM 355 OG SER A 23 7.220 8.084 -0.425 1.00 42.12 O ATOM 0 H SER A 23 6.984 9.874 1.989 1.00 1.54 H new ATOM 0 HA SER A 23 5.115 7.697 1.203 1.00 21.24 H new ATOM 0 HB2 SER A 23 8.160 7.773 1.380 1.00 20.54 H new ATOM 0 HB3 SER A 23 7.195 6.430 0.801 1.00 20.54 H new ATOM 0 HG SER A 23 6.454 7.737 -0.928 1.00 42.12 H new ATOM 361 N LEU A 24 5.337 6.343 3.340 1.00 65.32 N ATOM 362 CA LEU A 24 5.368 5.622 4.624 1.00 22.45 C ATOM 363 C LEU A 24 5.339 4.108 4.384 1.00 54.21 C ATOM 364 O LEU A 24 4.524 3.614 3.594 1.00 13.23 O ATOM 365 CB LEU A 24 4.191 6.068 5.526 1.00 75.42 C ATOM 366 CG LEU A 24 4.178 5.512 6.986 1.00 45.22 C ATOM 367 CD1 LEU A 24 5.476 5.870 7.742 1.00 12.34 C ATOM 368 CD2 LEU A 24 2.938 6.019 7.741 1.00 71.24 C ATOM 0 H LEU A 24 4.720 5.925 2.644 1.00 65.32 H new ATOM 0 HA LEU A 24 6.296 5.866 5.141 1.00 22.45 H new ATOM 0 HB2 LEU A 24 4.194 7.157 5.576 1.00 75.42 H new ATOM 0 HB3 LEU A 24 3.260 5.774 5.041 1.00 75.42 H new ATOM 0 HG LEU A 24 4.128 4.425 6.931 1.00 45.22 H new ATOM 0 HD11 LEU A 24 5.431 5.467 8.754 1.00 12.34 H new ATOM 0 HD12 LEU A 24 6.331 5.443 7.219 1.00 12.34 H new ATOM 0 HD13 LEU A 24 5.583 6.954 7.788 1.00 12.34 H new ATOM 0 HD21 LEU A 24 2.943 5.623 8.757 1.00 71.24 H new ATOM 0 HD22 LEU A 24 2.954 7.108 7.776 1.00 71.24 H new ATOM 0 HD23 LEU A 24 2.037 5.685 7.226 1.00 71.24 H new ATOM 380 N LYS A 25 6.252 3.392 5.059 1.00 30.32 N ATOM 381 CA LYS A 25 6.373 1.936 4.978 1.00 20.15 C ATOM 382 C LYS A 25 5.465 1.267 6.037 1.00 10.11 C ATOM 383 O LYS A 25 5.649 1.465 7.243 1.00 31.31 O ATOM 384 CB LYS A 25 7.858 1.519 5.175 1.00 24.04 C ATOM 385 CG LYS A 25 8.099 -0.011 5.228 1.00 33.34 C ATOM 386 CD LYS A 25 9.578 -0.389 5.472 1.00 61.04 C ATOM 387 CE LYS A 25 10.474 -0.158 4.247 1.00 64.54 C ATOM 388 NZ LYS A 25 10.089 -1.032 3.106 1.00 2.21 N ATOM 0 H LYS A 25 6.935 3.819 5.685 1.00 30.32 H new ATOM 0 HA LYS A 25 6.048 1.601 3.993 1.00 20.15 H new ATOM 0 HB2 LYS A 25 8.450 1.938 4.362 1.00 24.04 H new ATOM 0 HB3 LYS A 25 8.227 1.963 6.100 1.00 24.04 H new ATOM 0 HG2 LYS A 25 7.486 -0.441 6.020 1.00 33.34 H new ATOM 0 HG3 LYS A 25 7.767 -0.457 4.290 1.00 33.34 H new ATOM 0 HD2 LYS A 25 9.961 0.194 6.309 1.00 61.04 H new ATOM 0 HD3 LYS A 25 9.635 -1.438 5.762 1.00 61.04 H new ATOM 0 HE2 LYS A 25 10.410 0.887 3.942 1.00 64.54 H new ATOM 0 HE3 LYS A 25 11.513 -0.348 4.516 1.00 64.54 H new ATOM 0 HZ1 LYS A 25 10.940 -1.299 2.571 1.00 2.21 H new ATOM 0 HZ2 LYS A 25 9.624 -1.889 3.467 1.00 2.21 H new ATOM 0 HZ3 LYS A 25 9.434 -0.519 2.482 1.00 2.21 H new ATOM 402 N PHE A 26 4.480 0.503 5.557 1.00 3.03 N ATOM 403 CA PHE A 26 3.582 -0.316 6.375 1.00 22.31 C ATOM 404 C PHE A 26 4.025 -1.786 6.248 1.00 72.01 C ATOM 405 O PHE A 26 3.880 -2.376 5.171 1.00 53.42 O ATOM 406 CB PHE A 26 2.119 -0.159 5.864 1.00 51.03 C ATOM 407 CG PHE A 26 1.616 1.285 5.826 1.00 21.01 C ATOM 408 CD1 PHE A 26 0.993 1.851 6.933 1.00 14.23 C ATOM 409 CD2 PHE A 26 1.760 2.073 4.680 1.00 10.51 C ATOM 410 CE1 PHE A 26 0.526 3.152 6.901 1.00 12.34 C ATOM 411 CE2 PHE A 26 1.297 3.375 4.652 1.00 21.02 C ATOM 412 CZ PHE A 26 0.680 3.912 5.761 1.00 21.31 C ATOM 0 H PHE A 26 4.280 0.435 4.559 1.00 3.03 H new ATOM 0 HA PHE A 26 3.624 0.001 7.417 1.00 22.31 H new ATOM 0 HB2 PHE A 26 2.049 -0.582 4.862 1.00 51.03 H new ATOM 0 HB3 PHE A 26 1.459 -0.745 6.504 1.00 51.03 H new ATOM 0 HD1 PHE A 26 0.872 1.265 7.832 1.00 14.23 H new ATOM 0 HD2 PHE A 26 2.239 1.659 3.805 1.00 10.51 H new ATOM 0 HE1 PHE A 26 0.041 3.573 7.769 1.00 12.34 H new ATOM 0 HE2 PHE A 26 1.419 3.972 3.760 1.00 21.02 H new ATOM 0 HZ PHE A 26 0.317 4.929 5.737 1.00 21.31 H new ATOM 422 N ILE A 27 4.602 -2.360 7.321 1.00 54.33 N ATOM 423 CA ILE A 27 4.992 -3.779 7.350 1.00 45.04 C ATOM 424 C ILE A 27 3.762 -4.601 7.788 1.00 22.54 C ATOM 425 O ILE A 27 3.366 -4.512 8.953 1.00 51.44 O ATOM 426 CB ILE A 27 6.200 -4.094 8.336 1.00 32.41 C ATOM 427 CG1 ILE A 27 7.472 -3.211 8.048 1.00 74.23 C ATOM 428 CG2 ILE A 27 6.562 -5.607 8.282 1.00 64.24 C ATOM 429 CD1 ILE A 27 7.402 -1.771 8.546 1.00 13.53 C ATOM 0 H ILE A 27 4.809 -1.857 8.184 1.00 54.33 H new ATOM 0 HA ILE A 27 5.335 -4.043 6.350 1.00 45.04 H new ATOM 0 HB ILE A 27 5.863 -3.838 9.341 1.00 32.41 H new ATOM 0 HG12 ILE A 27 8.337 -3.692 8.504 1.00 74.23 H new ATOM 0 HG13 ILE A 27 7.646 -3.196 6.972 1.00 74.23 H new ATOM 0 HG21 ILE A 27 7.390 -5.807 8.962 1.00 64.24 H new ATOM 0 HG22 ILE A 27 5.697 -6.199 8.580 1.00 64.24 H new ATOM 0 HG23 ILE A 27 6.853 -5.875 7.266 1.00 64.24 H new ATOM 0 HD11 ILE A 27 8.328 -1.254 8.296 1.00 13.53 H new ATOM 0 HD12 ILE A 27 6.563 -1.262 8.072 1.00 13.53 H new ATOM 0 HD13 ILE A 27 7.265 -1.766 9.627 1.00 13.53 H new ATOM 441 N PRO A 28 3.128 -5.402 6.870 1.00 65.01 N ATOM 442 CA PRO A 28 1.915 -6.191 7.199 1.00 4.02 C ATOM 443 C PRO A 28 2.232 -7.523 7.914 1.00 11.02 C ATOM 444 O PRO A 28 1.322 -8.308 8.191 1.00 30.50 O ATOM 445 CB PRO A 28 1.305 -6.440 5.802 1.00 40.45 C ATOM 446 CG PRO A 28 2.504 -6.601 4.913 1.00 51.15 C ATOM 447 CD PRO A 28 3.531 -5.611 5.442 1.00 42.20 C ATOM 0 HA PRO A 28 1.255 -5.674 7.896 1.00 4.02 H new ATOM 0 HB2 PRO A 28 0.677 -7.331 5.792 1.00 40.45 H new ATOM 0 HB3 PRO A 28 0.680 -5.606 5.484 1.00 40.45 H new ATOM 0 HG2 PRO A 28 2.886 -7.621 4.949 1.00 51.15 H new ATOM 0 HG3 PRO A 28 2.254 -6.391 3.873 1.00 51.15 H new ATOM 0 HD2 PRO A 28 4.544 -6.007 5.367 1.00 42.20 H new ATOM 0 HD3 PRO A 28 3.512 -4.677 4.881 1.00 42.20 H new ATOM 455 N GLY A 29 3.528 -7.772 8.190 1.00 51.32 N ATOM 456 CA GLY A 29 3.984 -9.023 8.803 1.00 2.44 C ATOM 457 C GLY A 29 4.168 -10.130 7.766 1.00 33.15 C ATOM 458 O GLY A 29 5.282 -10.644 7.580 1.00 44.34 O ATOM 0 H GLY A 29 4.280 -7.111 7.993 1.00 51.32 H new ATOM 0 HA2 GLY A 29 4.927 -8.851 9.322 1.00 2.44 H new ATOM 0 HA3 GLY A 29 3.262 -9.344 9.553 1.00 2.44 H new ATOM 462 N LYS A 30 3.065 -10.472 7.073 1.00 54.54 N ATOM 463 CA LYS A 30 3.058 -11.502 6.023 1.00 74.43 C ATOM 464 C LYS A 30 3.772 -10.981 4.747 1.00 55.55 C ATOM 465 O LYS A 30 3.549 -9.833 4.347 1.00 3.34 O ATOM 466 CB LYS A 30 1.604 -11.946 5.688 1.00 41.13 C ATOM 467 CG LYS A 30 0.902 -12.738 6.814 1.00 44.44 C ATOM 468 CD LYS A 30 -0.489 -13.271 6.397 1.00 11.45 C ATOM 469 CE LYS A 30 -1.141 -14.156 7.475 1.00 74.12 C ATOM 470 NZ LYS A 30 -1.387 -13.420 8.747 1.00 55.31 N ATOM 0 H LYS A 30 2.154 -10.040 7.228 1.00 54.54 H new ATOM 0 HA LYS A 30 3.601 -12.370 6.397 1.00 74.43 H new ATOM 0 HB2 LYS A 30 1.011 -11.061 5.459 1.00 41.13 H new ATOM 0 HB3 LYS A 30 1.623 -12.559 4.787 1.00 41.13 H new ATOM 0 HG2 LYS A 30 1.533 -13.576 7.110 1.00 44.44 H new ATOM 0 HG3 LYS A 30 0.793 -12.097 7.689 1.00 44.44 H new ATOM 0 HD2 LYS A 30 -1.145 -12.428 6.181 1.00 11.45 H new ATOM 0 HD3 LYS A 30 -0.391 -13.844 5.475 1.00 11.45 H new ATOM 0 HE2 LYS A 30 -2.086 -14.547 7.097 1.00 74.12 H new ATOM 0 HE3 LYS A 30 -0.498 -15.013 7.674 1.00 74.12 H new ATOM 0 HZ1 LYS A 30 -1.842 -14.055 9.433 1.00 55.31 H new ATOM 0 HZ2 LYS A 30 -0.482 -13.083 9.134 1.00 55.31 H new ATOM 0 HZ3 LYS A 30 -2.009 -12.607 8.563 1.00 55.31 H new ATOM 484 N PRO A 31 4.647 -11.824 4.112 1.00 64.14 N ATOM 485 CA PRO A 31 5.370 -11.478 2.852 1.00 20.13 C ATOM 486 C PRO A 31 4.433 -11.019 1.700 1.00 45.41 C ATOM 487 O PRO A 31 3.335 -11.562 1.539 1.00 13.12 O ATOM 488 CB PRO A 31 6.069 -12.817 2.491 1.00 61.35 C ATOM 489 CG PRO A 31 6.246 -13.532 3.791 1.00 22.43 C ATOM 490 CD PRO A 31 5.026 -13.182 4.604 1.00 55.34 C ATOM 0 HA PRO A 31 6.044 -10.633 2.989 1.00 20.13 H new ATOM 0 HB2 PRO A 31 5.464 -13.403 1.799 1.00 61.35 H new ATOM 0 HB3 PRO A 31 7.029 -12.641 2.005 1.00 61.35 H new ATOM 0 HG2 PRO A 31 6.323 -14.609 3.641 1.00 22.43 H new ATOM 0 HG3 PRO A 31 7.159 -13.214 4.294 1.00 22.43 H new ATOM 0 HD2 PRO A 31 4.222 -13.902 4.450 1.00 55.34 H new ATOM 0 HD3 PRO A 31 5.246 -13.174 5.672 1.00 55.34 H new ATOM 498 N VAL A 32 4.877 -10.029 0.893 1.00 70.13 N ATOM 499 CA VAL A 32 4.073 -9.484 -0.227 1.00 53.42 C ATOM 500 C VAL A 32 4.776 -9.704 -1.599 1.00 32.12 C ATOM 501 O VAL A 32 4.206 -10.374 -2.471 1.00 75.24 O ATOM 502 CB VAL A 32 3.680 -7.966 0.009 1.00 53.14 C ATOM 503 CG1 VAL A 32 2.725 -7.822 1.220 1.00 41.01 C ATOM 504 CG2 VAL A 32 4.911 -7.066 0.203 1.00 60.13 C ATOM 0 H VAL A 32 5.791 -9.589 0.997 1.00 70.13 H new ATOM 0 HA VAL A 32 3.139 -10.045 -0.256 1.00 53.42 H new ATOM 0 HB VAL A 32 3.166 -7.635 -0.893 1.00 53.14 H new ATOM 0 HG11 VAL A 32 2.471 -6.771 1.360 1.00 41.01 H new ATOM 0 HG12 VAL A 32 1.815 -8.394 1.036 1.00 41.01 H new ATOM 0 HG13 VAL A 32 3.216 -8.199 2.117 1.00 41.01 H new ATOM 0 HG21 VAL A 32 4.588 -6.037 0.361 1.00 60.13 H new ATOM 0 HG22 VAL A 32 5.477 -7.406 1.070 1.00 60.13 H new ATOM 0 HG23 VAL A 32 5.542 -7.116 -0.684 1.00 60.13 H new ATOM 514 N LEU A 33 6.021 -9.188 -1.778 1.00 31.55 N ATOM 515 CA LEU A 33 6.780 -9.279 -3.057 1.00 3.42 C ATOM 516 C LEU A 33 8.294 -9.366 -2.792 1.00 72.30 C ATOM 517 O LEU A 33 8.982 -8.352 -2.719 1.00 53.34 O ATOM 518 CB LEU A 33 6.466 -8.088 -4.021 1.00 0.25 C ATOM 519 CG LEU A 33 5.132 -8.155 -4.824 1.00 51.34 C ATOM 520 CD1 LEU A 33 5.045 -6.991 -5.815 1.00 72.22 C ATOM 521 CD2 LEU A 33 4.984 -9.505 -5.553 1.00 54.31 C ATOM 0 H LEU A 33 6.527 -8.697 -1.041 1.00 31.55 H new ATOM 0 HA LEU A 33 6.454 -10.194 -3.552 1.00 3.42 H new ATOM 0 HB2 LEU A 33 6.461 -7.170 -3.433 1.00 0.25 H new ATOM 0 HB3 LEU A 33 7.286 -8.005 -4.734 1.00 0.25 H new ATOM 0 HG LEU A 33 4.308 -8.070 -4.115 1.00 51.34 H new ATOM 0 HD11 LEU A 33 4.107 -7.053 -6.368 1.00 72.22 H new ATOM 0 HD12 LEU A 33 5.084 -6.047 -5.272 1.00 72.22 H new ATOM 0 HD13 LEU A 33 5.881 -7.044 -6.512 1.00 72.22 H new ATOM 0 HD21 LEU A 33 4.043 -9.520 -6.104 1.00 54.31 H new ATOM 0 HD22 LEU A 33 5.814 -9.636 -6.248 1.00 54.31 H new ATOM 0 HD23 LEU A 33 4.990 -10.315 -4.824 1.00 54.31 H new ATOM 533 N GLU A 34 8.785 -10.594 -2.621 1.00 64.00 N ATOM 534 CA GLU A 34 10.211 -10.891 -2.375 1.00 54.45 C ATOM 535 C GLU A 34 10.861 -11.336 -3.691 1.00 54.13 C ATOM 536 O GLU A 34 12.040 -11.064 -3.944 1.00 34.24 O ATOM 537 CB GLU A 34 10.370 -12.007 -1.301 1.00 23.04 C ATOM 538 CG GLU A 34 9.768 -11.680 0.089 1.00 52.10 C ATOM 539 CD GLU A 34 8.241 -11.461 0.070 1.00 73.34 C ATOM 540 OE1 GLU A 34 7.510 -12.374 -0.389 1.00 55.55 O ATOM 541 OE2 GLU A 34 7.766 -10.375 0.470 1.00 2.45 O ATOM 0 H GLU A 34 8.200 -11.429 -2.649 1.00 64.00 H new ATOM 0 HA GLU A 34 10.701 -9.992 -2.002 1.00 54.45 H new ATOM 0 HB2 GLU A 34 9.903 -12.918 -1.676 1.00 23.04 H new ATOM 0 HB3 GLU A 34 11.432 -12.221 -1.178 1.00 23.04 H new ATOM 0 HG2 GLU A 34 10.000 -12.494 0.776 1.00 52.10 H new ATOM 0 HG3 GLU A 34 10.249 -10.784 0.482 1.00 52.10 H new ATOM 548 N THR A 35 10.055 -12.025 -4.514 1.00 32.15 N ATOM 549 CA THR A 35 10.453 -12.517 -5.839 1.00 52.31 C ATOM 550 C THR A 35 10.761 -11.352 -6.815 1.00 73.24 C ATOM 551 O THR A 35 11.544 -11.513 -7.761 1.00 14.45 O ATOM 552 CB THR A 35 9.326 -13.440 -6.424 1.00 33.31 C ATOM 553 OG1 THR A 35 9.725 -13.989 -7.687 1.00 72.55 O ATOM 554 CG2 THR A 35 7.988 -12.699 -6.591 1.00 71.42 C ATOM 0 H THR A 35 9.092 -12.259 -4.272 1.00 32.15 H new ATOM 0 HA THR A 35 11.370 -13.095 -5.723 1.00 52.31 H new ATOM 0 HB THR A 35 9.178 -14.243 -5.702 1.00 33.31 H new ATOM 0 HG1 THR A 35 9.010 -14.562 -8.035 1.00 72.55 H new ATOM 0 HG21 THR A 35 7.242 -13.382 -6.999 1.00 71.42 H new ATOM 0 HG22 THR A 35 7.652 -12.332 -5.621 1.00 71.42 H new ATOM 0 HG23 THR A 35 8.120 -11.858 -7.271 1.00 71.42 H new ATOM 562 N ARG A 36 10.141 -10.182 -6.556 1.00 3.33 N ATOM 563 CA ARG A 36 10.259 -8.985 -7.404 1.00 22.41 C ATOM 564 C ARG A 36 9.893 -7.727 -6.596 1.00 55.02 C ATOM 565 O ARG A 36 9.336 -7.825 -5.507 1.00 25.11 O ATOM 566 CB ARG A 36 9.318 -9.118 -8.640 1.00 3.52 C ATOM 567 CG ARG A 36 7.805 -9.207 -8.294 1.00 4.20 C ATOM 568 CD ARG A 36 6.931 -9.488 -9.525 1.00 32.30 C ATOM 569 NE ARG A 36 7.266 -10.782 -10.143 1.00 12.10 N ATOM 570 CZ ARG A 36 7.363 -11.015 -11.464 1.00 31.24 C ATOM 571 NH1 ARG A 36 7.168 -10.042 -12.358 1.00 64.30 N ATOM 572 NH2 ARG A 36 7.657 -12.229 -11.883 1.00 60.51 N ATOM 0 H ARG A 36 9.540 -10.044 -5.744 1.00 3.33 H new ATOM 0 HA ARG A 36 11.289 -8.894 -7.749 1.00 22.41 H new ATOM 0 HB2 ARG A 36 9.478 -8.262 -9.296 1.00 3.52 H new ATOM 0 HB3 ARG A 36 9.602 -10.008 -9.202 1.00 3.52 H new ATOM 0 HG2 ARG A 36 7.651 -9.995 -7.557 1.00 4.20 H new ATOM 0 HG3 ARG A 36 7.486 -8.272 -7.833 1.00 4.20 H new ATOM 0 HD2 ARG A 36 5.880 -9.484 -9.235 1.00 32.30 H new ATOM 0 HD3 ARG A 36 7.063 -8.690 -10.256 1.00 32.30 H new ATOM 0 HE ARG A 36 7.439 -11.568 -9.516 1.00 12.10 H new ATOM 0 HH11 ARG A 36 6.940 -9.099 -12.044 1.00 64.30 H new ATOM 0 HH12 ARG A 36 7.247 -10.242 -13.355 1.00 64.30 H new ATOM 0 HH21 ARG A 36 7.808 -12.979 -11.208 1.00 60.51 H new ATOM 0 HH22 ARG A 36 7.734 -12.419 -12.882 1.00 60.51 H new ATOM 586 N THR A 37 10.242 -6.553 -7.126 1.00 24.15 N ATOM 587 CA THR A 37 9.727 -5.256 -6.636 1.00 73.22 C ATOM 588 C THR A 37 8.800 -4.668 -7.713 1.00 23.42 C ATOM 589 O THR A 37 9.077 -4.822 -8.909 1.00 53.33 O ATOM 590 CB THR A 37 10.885 -4.256 -6.306 1.00 4.50 C ATOM 591 OG1 THR A 37 11.770 -4.136 -7.434 1.00 72.21 O ATOM 592 CG2 THR A 37 11.692 -4.697 -5.071 1.00 73.43 C ATOM 0 H THR A 37 10.890 -6.466 -7.909 1.00 24.15 H new ATOM 0 HA THR A 37 9.179 -5.419 -5.708 1.00 73.22 H new ATOM 0 HB THR A 37 10.428 -3.292 -6.085 1.00 4.50 H new ATOM 0 HG1 THR A 37 12.490 -3.507 -7.219 1.00 72.21 H new ATOM 0 HG21 THR A 37 12.485 -3.975 -4.878 1.00 73.43 H new ATOM 0 HG22 THR A 37 11.032 -4.751 -4.205 1.00 73.43 H new ATOM 0 HG23 THR A 37 12.131 -5.678 -5.254 1.00 73.43 H new ATOM 600 N MET A 38 7.699 -4.017 -7.298 1.00 3.13 N ATOM 601 CA MET A 38 6.676 -3.490 -8.225 1.00 54.52 C ATOM 602 C MET A 38 6.150 -2.150 -7.702 1.00 1.15 C ATOM 603 O MET A 38 5.743 -2.046 -6.540 1.00 54.15 O ATOM 604 CB MET A 38 5.501 -4.498 -8.408 1.00 50.22 C ATOM 605 CG MET A 38 5.837 -5.729 -9.271 1.00 25.31 C ATOM 606 SD MET A 38 4.482 -6.917 -9.387 1.00 50.34 S ATOM 607 CE MET A 38 3.186 -5.909 -10.088 1.00 32.43 C ATOM 0 H MET A 38 7.492 -3.841 -6.315 1.00 3.13 H new ATOM 0 HA MET A 38 7.140 -3.343 -9.200 1.00 54.52 H new ATOM 0 HB2 MET A 38 5.176 -4.838 -7.425 1.00 50.22 H new ATOM 0 HB3 MET A 38 4.658 -3.974 -8.859 1.00 50.22 H new ATOM 0 HG2 MET A 38 6.106 -5.398 -10.274 1.00 25.31 H new ATOM 0 HG3 MET A 38 6.712 -6.227 -8.854 1.00 25.31 H new ATOM 0 HE1 MET A 38 2.406 -5.750 -9.344 1.00 32.43 H new ATOM 0 HE2 MET A 38 3.598 -4.947 -10.393 1.00 32.43 H new ATOM 0 HE3 MET A 38 2.762 -6.414 -10.956 1.00 32.43 H new ATOM 617 N ASP A 39 6.170 -1.138 -8.573 1.00 42.34 N ATOM 618 CA ASP A 39 5.644 0.202 -8.281 1.00 4.41 C ATOM 619 C ASP A 39 4.415 0.463 -9.157 1.00 53.23 C ATOM 620 O ASP A 39 4.315 -0.035 -10.287 1.00 3.15 O ATOM 621 CB ASP A 39 6.730 1.294 -8.510 1.00 33.51 C ATOM 622 CG ASP A 39 7.181 1.410 -9.975 1.00 60.31 C ATOM 623 OD1 ASP A 39 7.997 0.576 -10.423 1.00 45.02 O ATOM 624 OD2 ASP A 39 6.711 2.321 -10.693 1.00 63.11 O ATOM 0 H ASP A 39 6.556 -1.225 -9.513 1.00 42.34 H new ATOM 0 HA ASP A 39 5.354 0.248 -7.231 1.00 4.41 H new ATOM 0 HB2 ASP A 39 6.341 2.257 -8.180 1.00 33.51 H new ATOM 0 HB3 ASP A 39 7.596 1.070 -7.888 1.00 33.51 H new ATOM 629 N PHE A 40 3.474 1.216 -8.599 1.00 64.22 N ATOM 630 CA PHE A 40 2.254 1.659 -9.274 1.00 72.21 C ATOM 631 C PHE A 40 2.165 3.179 -9.095 1.00 52.51 C ATOM 632 O PHE A 40 1.683 3.644 -8.057 1.00 60.13 O ATOM 633 CB PHE A 40 1.001 0.953 -8.676 1.00 54.45 C ATOM 634 CG PHE A 40 1.119 -0.566 -8.598 1.00 70.21 C ATOM 635 CD1 PHE A 40 0.933 -1.356 -9.729 1.00 71.45 C ATOM 636 CD2 PHE A 40 1.442 -1.199 -7.401 1.00 62.21 C ATOM 637 CE1 PHE A 40 1.051 -2.729 -9.663 1.00 51.35 C ATOM 638 CE2 PHE A 40 1.565 -2.567 -7.339 1.00 51.15 C ATOM 639 CZ PHE A 40 1.369 -3.332 -8.466 1.00 12.41 C ATOM 0 H PHE A 40 3.538 1.546 -7.636 1.00 64.22 H new ATOM 0 HA PHE A 40 2.285 1.400 -10.332 1.00 72.21 H new ATOM 0 HB2 PHE A 40 0.820 1.344 -7.675 1.00 54.45 H new ATOM 0 HB3 PHE A 40 0.131 1.208 -9.280 1.00 54.45 H new ATOM 0 HD1 PHE A 40 0.693 -0.887 -10.672 1.00 71.45 H new ATOM 0 HD2 PHE A 40 1.598 -0.608 -6.510 1.00 62.21 H new ATOM 0 HE1 PHE A 40 0.895 -3.329 -10.547 1.00 51.35 H new ATOM 0 HE2 PHE A 40 1.816 -3.043 -6.403 1.00 51.15 H new ATOM 0 HZ PHE A 40 1.465 -4.406 -8.412 1.00 12.41 H new ATOM 649 N PRO A 41 2.706 3.980 -10.064 1.00 32.43 N ATOM 650 CA PRO A 41 2.636 5.461 -9.993 1.00 50.24 C ATOM 651 C PRO A 41 1.201 5.968 -10.216 1.00 64.52 C ATOM 652 O PRO A 41 0.794 6.995 -9.660 1.00 1.32 O ATOM 653 CB PRO A 41 3.592 5.904 -11.131 1.00 34.25 C ATOM 654 CG PRO A 41 3.553 4.776 -12.123 1.00 14.25 C ATOM 655 CD PRO A 41 3.427 3.518 -11.290 1.00 4.33 C ATOM 0 HA PRO A 41 2.919 5.863 -9.020 1.00 50.24 H new ATOM 0 HB2 PRO A 41 3.263 6.840 -11.583 1.00 34.25 H new ATOM 0 HB3 PRO A 41 4.603 6.068 -10.758 1.00 34.25 H new ATOM 0 HG2 PRO A 41 2.710 4.882 -12.806 1.00 14.25 H new ATOM 0 HG3 PRO A 41 4.457 4.756 -12.732 1.00 14.25 H new ATOM 0 HD2 PRO A 41 2.869 2.743 -11.816 1.00 4.33 H new ATOM 0 HD3 PRO A 41 4.403 3.098 -11.047 1.00 4.33 H new ATOM 663 N THR A 42 0.449 5.200 -11.019 1.00 62.41 N ATOM 664 CA THR A 42 -0.916 5.510 -11.441 1.00 50.33 C ATOM 665 C THR A 42 -1.843 4.315 -11.107 1.00 50.42 C ATOM 666 O THR A 42 -1.366 3.169 -10.992 1.00 1.14 O ATOM 667 CB THR A 42 -0.947 5.790 -12.986 1.00 24.03 C ATOM 668 OG1 THR A 42 -0.401 4.667 -13.713 1.00 22.12 O ATOM 669 CG2 THR A 42 -0.165 7.061 -13.363 1.00 54.23 C ATOM 0 H THR A 42 0.790 4.318 -11.402 1.00 62.41 H new ATOM 0 HA THR A 42 -1.264 6.398 -10.912 1.00 50.33 H new ATOM 0 HB THR A 42 -1.992 5.940 -13.258 1.00 24.03 H new ATOM 0 HG1 THR A 42 -0.428 4.855 -14.674 1.00 22.12 H new ATOM 0 HG21 THR A 42 -0.215 7.213 -14.441 1.00 54.23 H new ATOM 0 HG22 THR A 42 -0.601 7.921 -12.855 1.00 54.23 H new ATOM 0 HG23 THR A 42 0.876 6.951 -13.060 1.00 54.23 H new ATOM 677 N PRO A 43 -3.190 4.547 -10.957 1.00 73.35 N ATOM 678 CA PRO A 43 -4.172 3.449 -10.766 1.00 14.20 C ATOM 679 C PRO A 43 -4.357 2.614 -12.043 1.00 73.44 C ATOM 680 O PRO A 43 -4.901 1.516 -11.989 1.00 21.23 O ATOM 681 CB PRO A 43 -5.470 4.202 -10.389 1.00 63.15 C ATOM 682 CG PRO A 43 -5.330 5.532 -11.065 1.00 10.41 C ATOM 683 CD PRO A 43 -3.861 5.880 -10.952 1.00 53.33 C ATOM 0 HA PRO A 43 -3.857 2.729 -10.011 1.00 14.20 H new ATOM 0 HB2 PRO A 43 -6.355 3.669 -10.737 1.00 63.15 H new ATOM 0 HB3 PRO A 43 -5.568 4.312 -9.309 1.00 63.15 H new ATOM 0 HG2 PRO A 43 -5.643 5.479 -12.108 1.00 10.41 H new ATOM 0 HG3 PRO A 43 -5.952 6.286 -10.583 1.00 10.41 H new ATOM 0 HD2 PRO A 43 -3.529 6.500 -11.785 1.00 53.33 H new ATOM 0 HD3 PRO A 43 -3.648 6.434 -10.038 1.00 53.33 H new ATOM 691 N ALA A 44 -3.877 3.161 -13.179 1.00 4.53 N ATOM 692 CA ALA A 44 -3.946 2.516 -14.491 1.00 64.14 C ATOM 693 C ALA A 44 -2.979 1.321 -14.578 1.00 31.51 C ATOM 694 O ALA A 44 -3.288 0.311 -15.219 1.00 40.43 O ATOM 695 CB ALA A 44 -3.652 3.547 -15.588 1.00 25.34 C ATOM 0 H ALA A 44 -3.426 4.076 -13.203 1.00 4.53 H new ATOM 0 HA ALA A 44 -4.953 2.125 -14.636 1.00 64.14 H new ATOM 0 HB1 ALA A 44 -3.704 3.065 -16.564 1.00 25.34 H new ATOM 0 HB2 ALA A 44 -4.388 4.349 -15.540 1.00 25.34 H new ATOM 0 HB3 ALA A 44 -2.654 3.961 -15.440 1.00 25.34 H new ATOM 701 N ALA A 45 -1.813 1.451 -13.912 1.00 24.14 N ATOM 702 CA ALA A 45 -0.792 0.390 -13.841 1.00 0.34 C ATOM 703 C ALA A 45 -1.123 -0.636 -12.740 1.00 72.31 C ATOM 704 O ALA A 45 -0.553 -1.739 -12.711 1.00 41.44 O ATOM 705 CB ALA A 45 0.587 1.027 -13.598 1.00 12.12 C ATOM 0 H ALA A 45 -1.554 2.299 -13.407 1.00 24.14 H new ATOM 0 HA ALA A 45 -0.779 -0.148 -14.789 1.00 0.34 H new ATOM 0 HB1 ALA A 45 1.345 0.245 -13.545 1.00 12.12 H new ATOM 0 HB2 ALA A 45 0.823 1.706 -14.417 1.00 12.12 H new ATOM 0 HB3 ALA A 45 0.571 1.581 -12.660 1.00 12.12 H new ATOM 711 N ALA A 46 -2.060 -0.264 -11.842 1.00 54.24 N ATOM 712 CA ALA A 46 -2.439 -1.070 -10.668 1.00 23.12 C ATOM 713 C ALA A 46 -3.246 -2.342 -11.006 1.00 24.21 C ATOM 714 O ALA A 46 -3.543 -3.118 -10.101 1.00 21.14 O ATOM 715 CB ALA A 46 -3.207 -0.189 -9.670 1.00 34.51 C ATOM 0 H ALA A 46 -2.577 0.612 -11.915 1.00 54.24 H new ATOM 0 HA ALA A 46 -1.511 -1.429 -10.224 1.00 23.12 H new ATOM 0 HB1 ALA A 46 -3.488 -0.784 -8.801 1.00 34.51 H new ATOM 0 HB2 ALA A 46 -2.573 0.639 -9.353 1.00 34.51 H new ATOM 0 HB3 ALA A 46 -4.105 0.203 -10.147 1.00 34.51 H new ATOM 721 N PHE A 47 -3.593 -2.549 -12.297 1.00 45.24 N ATOM 722 CA PHE A 47 -4.371 -3.732 -12.762 1.00 54.12 C ATOM 723 C PHE A 47 -3.702 -5.080 -12.397 1.00 44.30 C ATOM 724 O PHE A 47 -4.383 -6.098 -12.243 1.00 65.01 O ATOM 725 CB PHE A 47 -4.620 -3.654 -14.295 1.00 64.23 C ATOM 726 CG PHE A 47 -3.372 -3.796 -15.176 1.00 51.32 C ATOM 727 CD1 PHE A 47 -2.470 -2.744 -15.314 1.00 32.51 C ATOM 728 CD2 PHE A 47 -3.108 -4.975 -15.872 1.00 31.42 C ATOM 729 CE1 PHE A 47 -1.353 -2.863 -16.118 1.00 4.23 C ATOM 730 CE2 PHE A 47 -1.993 -5.094 -16.674 1.00 22.21 C ATOM 731 CZ PHE A 47 -1.114 -4.039 -16.796 1.00 50.23 C ATOM 0 H PHE A 47 -3.345 -1.905 -13.048 1.00 45.24 H new ATOM 0 HA PHE A 47 -5.325 -3.700 -12.236 1.00 54.12 H new ATOM 0 HB2 PHE A 47 -5.328 -4.435 -14.570 1.00 64.23 H new ATOM 0 HB3 PHE A 47 -5.095 -2.699 -14.520 1.00 64.23 H new ATOM 0 HD1 PHE A 47 -2.647 -1.820 -14.784 1.00 32.51 H new ATOM 0 HD2 PHE A 47 -3.788 -5.809 -15.781 1.00 31.42 H new ATOM 0 HE1 PHE A 47 -0.667 -2.035 -16.215 1.00 4.23 H new ATOM 0 HE2 PHE A 47 -1.808 -6.015 -17.207 1.00 22.21 H new ATOM 0 HZ PHE A 47 -0.239 -4.134 -17.422 1.00 50.23 H new ATOM 741 N ARG A 48 -2.367 -5.063 -12.258 1.00 1.12 N ATOM 742 CA ARG A 48 -1.566 -6.262 -11.952 1.00 34.13 C ATOM 743 C ARG A 48 -1.766 -6.736 -10.500 1.00 41.11 C ATOM 744 O ARG A 48 -1.463 -7.886 -10.184 1.00 51.14 O ATOM 745 CB ARG A 48 -0.074 -5.972 -12.253 1.00 73.01 C ATOM 746 CG ARG A 48 0.197 -5.639 -13.739 1.00 41.10 C ATOM 747 CD ARG A 48 1.629 -5.159 -14.011 1.00 23.44 C ATOM 748 NE ARG A 48 2.655 -6.187 -13.757 1.00 63.23 N ATOM 749 CZ ARG A 48 3.957 -5.928 -13.531 1.00 14.31 C ATOM 750 NH1 ARG A 48 4.415 -4.671 -13.498 1.00 3.44 N ATOM 751 NH2 ARG A 48 4.797 -6.927 -13.321 1.00 22.42 N ATOM 0 H ARG A 48 -1.809 -4.215 -12.355 1.00 1.12 H new ATOM 0 HA ARG A 48 -1.907 -7.078 -12.589 1.00 34.13 H new ATOM 0 HB2 ARG A 48 0.259 -5.138 -11.635 1.00 73.01 H new ATOM 0 HB3 ARG A 48 0.522 -6.839 -11.968 1.00 73.01 H new ATOM 0 HG2 ARG A 48 -0.001 -6.525 -14.343 1.00 41.10 H new ATOM 0 HG3 ARG A 48 -0.503 -4.869 -14.063 1.00 41.10 H new ATOM 0 HD2 ARG A 48 1.703 -4.833 -15.048 1.00 23.44 H new ATOM 0 HD3 ARG A 48 1.836 -4.289 -13.388 1.00 23.44 H new ATOM 0 HE ARG A 48 2.358 -7.163 -13.752 1.00 63.23 H new ATOM 0 HH11 ARG A 48 3.775 -3.891 -13.645 1.00 3.44 H new ATOM 0 HH12 ARG A 48 5.404 -4.493 -13.325 1.00 3.44 H new ATOM 0 HH21 ARG A 48 4.458 -7.889 -13.331 1.00 22.42 H new ATOM 0 HH22 ARG A 48 5.784 -6.736 -13.149 1.00 22.42 H new ATOM 765 N SER A 49 -2.303 -5.853 -9.629 1.00 10.03 N ATOM 766 CA SER A 49 -2.540 -6.154 -8.206 1.00 73.01 C ATOM 767 C SER A 49 -3.937 -5.657 -7.768 1.00 52.45 C ATOM 768 O SER A 49 -4.213 -4.451 -7.840 1.00 70.23 O ATOM 769 CB SER A 49 -1.452 -5.496 -7.334 1.00 74.13 C ATOM 770 OG SER A 49 -1.774 -5.578 -5.947 1.00 73.31 O ATOM 0 H SER A 49 -2.584 -4.910 -9.897 1.00 10.03 H new ATOM 0 HA SER A 49 -2.498 -7.235 -8.073 1.00 73.01 H new ATOM 0 HB2 SER A 49 -0.494 -5.984 -7.516 1.00 74.13 H new ATOM 0 HB3 SER A 49 -1.337 -4.451 -7.621 1.00 74.13 H new ATOM 0 HG SER A 49 -1.649 -6.499 -5.636 1.00 73.31 H new ATOM 776 N PRO A 50 -4.852 -6.582 -7.320 1.00 70.25 N ATOM 777 CA PRO A 50 -6.154 -6.191 -6.726 1.00 34.05 C ATOM 778 C PRO A 50 -5.988 -5.266 -5.497 1.00 43.31 C ATOM 779 O PRO A 50 -6.727 -4.280 -5.363 1.00 44.23 O ATOM 780 CB PRO A 50 -6.830 -7.546 -6.359 1.00 31.14 C ATOM 781 CG PRO A 50 -5.743 -8.585 -6.439 1.00 2.54 C ATOM 782 CD PRO A 50 -4.711 -8.061 -7.416 1.00 41.03 C ATOM 0 HA PRO A 50 -6.759 -5.604 -7.417 1.00 34.05 H new ATOM 0 HB2 PRO A 50 -7.262 -7.509 -5.359 1.00 31.14 H new ATOM 0 HB3 PRO A 50 -7.642 -7.777 -7.048 1.00 31.14 H new ATOM 0 HG2 PRO A 50 -5.297 -8.755 -5.459 1.00 2.54 H new ATOM 0 HG3 PRO A 50 -6.145 -9.540 -6.776 1.00 2.54 H new ATOM 0 HD2 PRO A 50 -3.705 -8.385 -7.148 1.00 41.03 H new ATOM 0 HD3 PRO A 50 -4.902 -8.416 -8.429 1.00 41.03 H new ATOM 790 N LEU A 51 -4.963 -5.551 -4.651 1.00 3.12 N ATOM 791 CA LEU A 51 -4.707 -4.784 -3.413 1.00 23.21 C ATOM 792 C LEU A 51 -4.322 -3.336 -3.745 1.00 61.22 C ATOM 793 O LEU A 51 -4.784 -2.404 -3.084 1.00 14.24 O ATOM 794 CB LEU A 51 -3.586 -5.441 -2.550 1.00 54.02 C ATOM 795 CG LEU A 51 -3.246 -4.719 -1.193 1.00 23.23 C ATOM 796 CD1 LEU A 51 -4.480 -4.609 -0.278 1.00 31.12 C ATOM 797 CD2 LEU A 51 -2.078 -5.409 -0.460 1.00 32.35 C ATOM 0 H LEU A 51 -4.301 -6.311 -4.809 1.00 3.12 H new ATOM 0 HA LEU A 51 -5.630 -4.788 -2.833 1.00 23.21 H new ATOM 0 HB2 LEU A 51 -3.880 -6.467 -2.329 1.00 54.02 H new ATOM 0 HB3 LEU A 51 -2.677 -5.492 -3.149 1.00 54.02 H new ATOM 0 HG LEU A 51 -2.931 -3.706 -1.445 1.00 23.23 H new ATOM 0 HD11 LEU A 51 -4.203 -4.105 0.648 1.00 31.12 H new ATOM 0 HD12 LEU A 51 -5.258 -4.037 -0.784 1.00 31.12 H new ATOM 0 HD13 LEU A 51 -4.854 -5.607 -0.050 1.00 31.12 H new ATOM 0 HD21 LEU A 51 -1.872 -4.883 0.472 1.00 32.35 H new ATOM 0 HD22 LEU A 51 -2.345 -6.443 -0.242 1.00 32.35 H new ATOM 0 HD23 LEU A 51 -1.190 -5.390 -1.092 1.00 32.35 H new ATOM 809 N ALA A 52 -3.481 -3.167 -4.792 1.00 54.34 N ATOM 810 CA ALA A 52 -3.017 -1.844 -5.244 1.00 42.14 C ATOM 811 C ALA A 52 -4.201 -0.944 -5.633 1.00 31.44 C ATOM 812 O ALA A 52 -4.266 0.212 -5.209 1.00 21.14 O ATOM 813 CB ALA A 52 -2.047 -1.994 -6.417 1.00 75.33 C ATOM 0 H ALA A 52 -3.110 -3.942 -5.341 1.00 54.34 H new ATOM 0 HA ALA A 52 -2.493 -1.367 -4.416 1.00 42.14 H new ATOM 0 HB1 ALA A 52 -1.712 -1.008 -6.741 1.00 75.33 H new ATOM 0 HB2 ALA A 52 -1.186 -2.585 -6.104 1.00 75.33 H new ATOM 0 HB3 ALA A 52 -2.550 -2.496 -7.243 1.00 75.33 H new ATOM 819 N ARG A 53 -5.146 -1.509 -6.418 1.00 34.11 N ATOM 820 CA ARG A 53 -6.367 -0.798 -6.854 1.00 10.10 C ATOM 821 C ARG A 53 -7.251 -0.408 -5.654 1.00 5.33 C ATOM 822 O ARG A 53 -7.833 0.685 -5.640 1.00 24.41 O ATOM 823 CB ARG A 53 -7.180 -1.652 -7.866 1.00 72.31 C ATOM 824 CG ARG A 53 -6.543 -1.763 -9.265 1.00 34.30 C ATOM 825 CD ARG A 53 -7.452 -2.480 -10.279 1.00 60.14 C ATOM 826 NE ARG A 53 -8.802 -1.886 -10.334 1.00 23.52 N ATOM 827 CZ ARG A 53 -9.210 -0.935 -11.194 1.00 51.10 C ATOM 828 NH1 ARG A 53 -8.383 -0.430 -12.116 1.00 73.10 N ATOM 829 NH2 ARG A 53 -10.451 -0.486 -11.112 1.00 1.02 N ATOM 0 H ARG A 53 -5.083 -2.466 -6.765 1.00 34.11 H new ATOM 0 HA ARG A 53 -6.047 0.118 -7.352 1.00 10.10 H new ATOM 0 HB2 ARG A 53 -7.306 -2.655 -7.457 1.00 72.31 H new ATOM 0 HB3 ARG A 53 -8.176 -1.222 -7.967 1.00 72.31 H new ATOM 0 HG2 ARG A 53 -6.312 -0.764 -9.634 1.00 34.30 H new ATOM 0 HG3 ARG A 53 -5.598 -2.301 -9.187 1.00 34.30 H new ATOM 0 HD2 ARG A 53 -6.996 -2.435 -11.268 1.00 60.14 H new ATOM 0 HD3 ARG A 53 -7.531 -3.534 -10.012 1.00 60.14 H new ATOM 0 HE ARG A 53 -9.487 -2.227 -9.660 1.00 23.52 H new ATOM 0 HH11 ARG A 53 -7.422 -0.765 -12.177 1.00 73.10 H new ATOM 0 HH12 ARG A 53 -8.714 0.290 -12.758 1.00 73.10 H new ATOM 0 HH21 ARG A 53 -11.083 -0.860 -10.404 1.00 1.02 H new ATOM 0 HH22 ARG A 53 -10.776 0.235 -11.756 1.00 1.02 H new ATOM 843 N GLN A 54 -7.322 -1.300 -4.649 1.00 53.13 N ATOM 844 CA GLN A 54 -8.121 -1.074 -3.429 1.00 44.23 C ATOM 845 C GLN A 54 -7.499 0.046 -2.560 1.00 22.23 C ATOM 846 O GLN A 54 -8.216 0.795 -1.891 1.00 21.34 O ATOM 847 CB GLN A 54 -8.251 -2.391 -2.621 1.00 14.34 C ATOM 848 CG GLN A 54 -9.024 -3.511 -3.348 1.00 2.12 C ATOM 849 CD GLN A 54 -9.063 -4.837 -2.578 1.00 31.32 C ATOM 850 OE1 GLN A 54 -8.156 -5.158 -1.809 1.00 33.02 O ATOM 851 NE2 GLN A 54 -10.104 -5.627 -2.799 1.00 71.14 N ATOM 0 H GLN A 54 -6.830 -2.194 -4.659 1.00 53.13 H new ATOM 0 HA GLN A 54 -9.119 -0.750 -3.726 1.00 44.23 H new ATOM 0 HB2 GLN A 54 -7.252 -2.754 -2.378 1.00 14.34 H new ATOM 0 HB3 GLN A 54 -8.750 -2.176 -1.676 1.00 14.34 H new ATOM 0 HG2 GLN A 54 -10.046 -3.176 -3.529 1.00 2.12 H new ATOM 0 HG3 GLN A 54 -8.567 -3.681 -4.323 1.00 2.12 H new ATOM 0 HE21 GLN A 54 -10.840 -5.333 -3.442 1.00 71.14 H new ATOM 0 HE22 GLN A 54 -10.169 -6.529 -2.326 1.00 71.14 H new ATOM 860 N LEU A 55 -6.158 0.147 -2.588 1.00 2.13 N ATOM 861 CA LEU A 55 -5.418 1.211 -1.881 1.00 41.10 C ATOM 862 C LEU A 55 -5.566 2.568 -2.606 1.00 30.43 C ATOM 863 O LEU A 55 -5.631 3.605 -1.954 1.00 63.42 O ATOM 864 CB LEU A 55 -3.924 0.818 -1.707 1.00 71.34 C ATOM 865 CG LEU A 55 -3.649 -0.414 -0.782 1.00 32.02 C ATOM 866 CD1 LEU A 55 -2.152 -0.785 -0.764 1.00 45.10 C ATOM 867 CD2 LEU A 55 -4.182 -0.176 0.648 1.00 62.33 C ATOM 0 H LEU A 55 -5.559 -0.502 -3.098 1.00 2.13 H new ATOM 0 HA LEU A 55 -5.851 1.325 -0.887 1.00 41.10 H new ATOM 0 HB2 LEU A 55 -3.505 0.610 -2.692 1.00 71.34 H new ATOM 0 HB3 LEU A 55 -3.386 1.677 -1.306 1.00 71.34 H new ATOM 0 HG LEU A 55 -4.193 -1.261 -1.201 1.00 32.02 H new ATOM 0 HD11 LEU A 55 -1.998 -1.645 -0.112 1.00 45.10 H new ATOM 0 HD12 LEU A 55 -1.826 -1.033 -1.774 1.00 45.10 H new ATOM 0 HD13 LEU A 55 -1.572 0.060 -0.393 1.00 45.10 H new ATOM 0 HD21 LEU A 55 -3.974 -1.051 1.264 1.00 62.33 H new ATOM 0 HD22 LEU A 55 -3.690 0.696 1.079 1.00 62.33 H new ATOM 0 HD23 LEU A 55 -5.258 -0.005 0.612 1.00 62.33 H new ATOM 879 N PHE A 56 -5.642 2.551 -3.957 1.00 72.41 N ATOM 880 CA PHE A 56 -5.895 3.777 -4.768 1.00 73.31 C ATOM 881 C PHE A 56 -7.319 4.329 -4.543 1.00 61.34 C ATOM 882 O PHE A 56 -7.573 5.516 -4.800 1.00 54.04 O ATOM 883 CB PHE A 56 -5.643 3.524 -6.287 1.00 52.43 C ATOM 884 CG PHE A 56 -4.174 3.613 -6.707 1.00 53.21 C ATOM 885 CD1 PHE A 56 -3.521 4.848 -6.737 1.00 64.31 C ATOM 886 CD2 PHE A 56 -3.453 2.483 -7.087 1.00 14.03 C ATOM 887 CE1 PHE A 56 -2.201 4.940 -7.128 1.00 32.23 C ATOM 888 CE2 PHE A 56 -2.132 2.581 -7.475 1.00 11.44 C ATOM 889 CZ PHE A 56 -1.508 3.807 -7.495 1.00 12.54 C ATOM 0 H PHE A 56 -5.532 1.704 -4.514 1.00 72.41 H new ATOM 0 HA PHE A 56 -5.184 4.530 -4.427 1.00 73.31 H new ATOM 0 HB2 PHE A 56 -6.023 2.536 -6.546 1.00 52.43 H new ATOM 0 HB3 PHE A 56 -6.218 4.248 -6.864 1.00 52.43 H new ATOM 0 HD1 PHE A 56 -4.056 5.741 -6.451 1.00 64.31 H new ATOM 0 HD2 PHE A 56 -3.935 1.516 -7.078 1.00 14.03 H new ATOM 0 HE1 PHE A 56 -1.710 5.902 -7.146 1.00 32.23 H new ATOM 0 HE2 PHE A 56 -1.587 1.694 -7.763 1.00 11.44 H new ATOM 0 HZ PHE A 56 -0.474 3.881 -7.799 1.00 12.54 H new ATOM 899 N ARG A 57 -8.240 3.462 -4.064 1.00 15.21 N ATOM 900 CA ARG A 57 -9.620 3.864 -3.703 1.00 12.41 C ATOM 901 C ARG A 57 -9.630 4.864 -2.530 1.00 14.32 C ATOM 902 O ARG A 57 -10.592 5.627 -2.371 1.00 34.22 O ATOM 903 CB ARG A 57 -10.474 2.630 -3.325 1.00 1.52 C ATOM 904 CG ARG A 57 -10.761 1.657 -4.486 1.00 41.00 C ATOM 905 CD ARG A 57 -11.619 0.460 -4.045 1.00 12.12 C ATOM 906 NE ARG A 57 -12.924 0.882 -3.496 1.00 63.40 N ATOM 907 CZ ARG A 57 -13.586 0.261 -2.501 1.00 22.12 C ATOM 908 NH1 ARG A 57 -13.079 -0.824 -1.907 1.00 41.42 N ATOM 909 NH2 ARG A 57 -14.752 0.747 -2.094 1.00 13.15 N ATOM 0 H ARG A 57 -8.050 2.471 -3.917 1.00 15.21 H new ATOM 0 HA ARG A 57 -10.049 4.348 -4.580 1.00 12.41 H new ATOM 0 HB2 ARG A 57 -9.965 2.084 -2.531 1.00 1.52 H new ATOM 0 HB3 ARG A 57 -11.424 2.975 -2.917 1.00 1.52 H new ATOM 0 HG2 ARG A 57 -11.271 2.191 -5.287 1.00 41.00 H new ATOM 0 HG3 ARG A 57 -9.818 1.294 -4.895 1.00 41.00 H new ATOM 0 HD2 ARG A 57 -11.781 -0.202 -4.896 1.00 12.12 H new ATOM 0 HD3 ARG A 57 -11.079 -0.115 -3.293 1.00 12.12 H new ATOM 0 HE ARG A 57 -13.359 1.710 -3.903 1.00 63.40 H new ATOM 0 HH11 ARG A 57 -12.177 -1.194 -2.206 1.00 41.42 H new ATOM 0 HH12 ARG A 57 -13.594 -1.281 -1.155 1.00 41.42 H new ATOM 0 HH21 ARG A 57 -15.138 1.582 -2.534 1.00 13.15 H new ATOM 0 HH22 ARG A 57 -15.262 0.285 -1.341 1.00 13.15 H new ATOM 923 N ILE A 58 -8.543 4.865 -1.734 1.00 11.31 N ATOM 924 CA ILE A 58 -8.415 5.689 -0.528 1.00 14.41 C ATOM 925 C ILE A 58 -8.011 7.110 -0.950 1.00 70.54 C ATOM 926 O ILE A 58 -6.933 7.298 -1.535 1.00 14.25 O ATOM 927 CB ILE A 58 -7.338 5.076 0.447 1.00 43.22 C ATOM 928 CG1 ILE A 58 -7.679 3.583 0.761 1.00 32.42 C ATOM 929 CG2 ILE A 58 -7.198 5.914 1.744 1.00 24.33 C ATOM 930 CD1 ILE A 58 -6.605 2.825 1.525 1.00 34.34 C ATOM 0 H ILE A 58 -7.724 4.286 -1.917 1.00 11.31 H new ATOM 0 HA ILE A 58 -9.367 5.718 0.003 1.00 14.41 H new ATOM 0 HB ILE A 58 -6.370 5.107 -0.053 1.00 43.22 H new ATOM 0 HG12 ILE A 58 -8.604 3.551 1.336 1.00 32.42 H new ATOM 0 HG13 ILE A 58 -7.870 3.064 -0.179 1.00 32.42 H new ATOM 0 HG21 ILE A 58 -6.447 5.461 2.391 1.00 24.33 H new ATOM 0 HG22 ILE A 58 -6.893 6.929 1.490 1.00 24.33 H new ATOM 0 HG23 ILE A 58 -8.155 5.942 2.264 1.00 24.33 H new ATOM 0 HD11 ILE A 58 -6.934 1.800 1.695 1.00 34.34 H new ATOM 0 HD12 ILE A 58 -5.682 2.819 0.945 1.00 34.34 H new ATOM 0 HD13 ILE A 58 -6.428 3.312 2.484 1.00 34.34 H new ATOM 942 N GLU A 59 -8.898 8.092 -0.685 1.00 12.14 N ATOM 943 CA GLU A 59 -8.710 9.485 -1.120 1.00 13.32 C ATOM 944 C GLU A 59 -7.474 10.114 -0.427 1.00 4.11 C ATOM 945 O GLU A 59 -7.509 10.483 0.754 1.00 42.44 O ATOM 946 CB GLU A 59 -10.017 10.314 -0.907 1.00 52.33 C ATOM 947 CG GLU A 59 -10.584 10.317 0.530 1.00 13.42 C ATOM 948 CD GLU A 59 -11.930 11.055 0.641 1.00 3.32 C ATOM 949 OE1 GLU A 59 -11.943 12.301 0.550 1.00 34.43 O ATOM 950 OE2 GLU A 59 -12.983 10.390 0.786 1.00 51.50 O ATOM 0 H GLU A 59 -9.762 7.938 -0.164 1.00 12.14 H new ATOM 0 HA GLU A 59 -8.506 9.498 -2.191 1.00 13.32 H new ATOM 0 HB2 GLU A 59 -9.823 11.345 -1.203 1.00 52.33 H new ATOM 0 HB3 GLU A 59 -10.783 9.928 -1.579 1.00 52.33 H new ATOM 0 HG2 GLU A 59 -10.710 9.288 0.867 1.00 13.42 H new ATOM 0 HG3 GLU A 59 -9.862 10.785 1.199 1.00 13.42 H new ATOM 957 N GLY A 60 -6.359 10.150 -1.178 1.00 4.15 N ATOM 958 CA GLY A 60 -5.093 10.675 -0.683 1.00 11.43 C ATOM 959 C GLY A 60 -3.887 9.900 -1.190 1.00 14.13 C ATOM 960 O GLY A 60 -2.763 10.400 -1.116 1.00 63.24 O ATOM 0 H GLY A 60 -6.319 9.815 -2.141 1.00 4.15 H new ATOM 0 HA2 GLY A 60 -4.998 11.719 -0.981 1.00 11.43 H new ATOM 0 HA3 GLY A 60 -5.099 10.654 0.407 1.00 11.43 H new ATOM 964 N VAL A 61 -4.112 8.672 -1.690 1.00 22.23 N ATOM 965 CA VAL A 61 -3.035 7.787 -2.156 1.00 24.25 C ATOM 966 C VAL A 61 -2.585 8.188 -3.577 1.00 41.24 C ATOM 967 O VAL A 61 -3.343 8.064 -4.540 1.00 11.31 O ATOM 968 CB VAL A 61 -3.485 6.279 -2.112 1.00 13.21 C ATOM 969 CG1 VAL A 61 -2.431 5.335 -2.747 1.00 42.43 C ATOM 970 CG2 VAL A 61 -3.801 5.851 -0.655 1.00 22.24 C ATOM 0 H VAL A 61 -5.044 8.268 -1.781 1.00 22.23 H new ATOM 0 HA VAL A 61 -2.185 7.899 -1.483 1.00 24.25 H new ATOM 0 HB VAL A 61 -4.392 6.192 -2.710 1.00 13.21 H new ATOM 0 HG11 VAL A 61 -2.785 4.306 -2.694 1.00 42.43 H new ATOM 0 HG12 VAL A 61 -2.276 5.612 -3.790 1.00 42.43 H new ATOM 0 HG13 VAL A 61 -1.490 5.423 -2.205 1.00 42.43 H new ATOM 0 HG21 VAL A 61 -4.111 4.806 -0.642 1.00 22.24 H new ATOM 0 HG22 VAL A 61 -2.910 5.973 -0.039 1.00 22.24 H new ATOM 0 HG23 VAL A 61 -4.604 6.472 -0.259 1.00 22.24 H new ATOM 980 N LYS A 62 -1.342 8.682 -3.659 1.00 74.02 N ATOM 981 CA LYS A 62 -0.678 9.090 -4.909 1.00 3.14 C ATOM 982 C LYS A 62 -0.243 7.868 -5.707 1.00 35.44 C ATOM 983 O LYS A 62 -0.492 7.759 -6.913 1.00 12.32 O ATOM 984 CB LYS A 62 0.571 9.935 -4.558 1.00 31.21 C ATOM 985 CG LYS A 62 1.331 10.562 -5.750 1.00 20.43 C ATOM 986 CD LYS A 62 0.476 11.572 -6.542 1.00 71.25 C ATOM 987 CE LYS A 62 1.307 12.407 -7.531 1.00 41.34 C ATOM 988 NZ LYS A 62 2.137 11.573 -8.443 1.00 41.12 N ATOM 0 H LYS A 62 -0.753 8.813 -2.837 1.00 74.02 H new ATOM 0 HA LYS A 62 -1.377 9.672 -5.510 1.00 3.14 H new ATOM 0 HB2 LYS A 62 0.264 10.738 -3.888 1.00 31.21 H new ATOM 0 HB3 LYS A 62 1.266 9.305 -4.003 1.00 31.21 H new ATOM 0 HG2 LYS A 62 2.226 11.062 -5.381 1.00 20.43 H new ATOM 0 HG3 LYS A 62 1.662 9.769 -6.421 1.00 20.43 H new ATOM 0 HD2 LYS A 62 -0.300 11.035 -7.088 1.00 71.25 H new ATOM 0 HD3 LYS A 62 -0.029 12.240 -5.844 1.00 71.25 H new ATOM 0 HE2 LYS A 62 0.637 13.029 -8.125 1.00 41.34 H new ATOM 0 HE3 LYS A 62 1.956 13.081 -6.973 1.00 41.34 H new ATOM 0 HZ1 LYS A 62 2.608 12.184 -9.140 1.00 41.12 H new ATOM 0 HZ2 LYS A 62 2.854 11.062 -7.890 1.00 41.12 H new ATOM 0 HZ3 LYS A 62 1.529 10.889 -8.937 1.00 41.12 H new ATOM 1002 N SER A 63 0.423 6.955 -4.995 1.00 3.55 N ATOM 1003 CA SER A 63 1.120 5.814 -5.583 1.00 54.23 C ATOM 1004 C SER A 63 1.204 4.682 -4.554 1.00 14.13 C ATOM 1005 O SER A 63 1.307 4.935 -3.346 1.00 32.13 O ATOM 1006 CB SER A 63 2.541 6.230 -6.045 1.00 50.24 C ATOM 1007 OG SER A 63 2.495 7.263 -7.020 1.00 51.32 O ATOM 0 H SER A 63 0.493 6.991 -3.978 1.00 3.55 H new ATOM 0 HA SER A 63 0.566 5.465 -6.454 1.00 54.23 H new ATOM 0 HB2 SER A 63 3.119 6.567 -5.185 1.00 50.24 H new ATOM 0 HB3 SER A 63 3.058 5.363 -6.457 1.00 50.24 H new ATOM 0 HG SER A 63 3.407 7.501 -7.287 1.00 51.32 H new ATOM 1013 N VAL A 64 1.154 3.442 -5.047 1.00 2.44 N ATOM 1014 CA VAL A 64 1.310 2.228 -4.232 1.00 12.24 C ATOM 1015 C VAL A 64 2.597 1.512 -4.661 1.00 74.11 C ATOM 1016 O VAL A 64 2.848 1.362 -5.853 1.00 71.41 O ATOM 1017 CB VAL A 64 0.080 1.256 -4.390 1.00 71.24 C ATOM 1018 CG1 VAL A 64 0.274 -0.057 -3.592 1.00 61.43 C ATOM 1019 CG2 VAL A 64 -1.231 1.957 -3.977 1.00 51.13 C ATOM 0 H VAL A 64 1.002 3.247 -6.037 1.00 2.44 H new ATOM 0 HA VAL A 64 1.364 2.518 -3.183 1.00 12.24 H new ATOM 0 HB VAL A 64 0.013 0.989 -5.445 1.00 71.24 H new ATOM 0 HG11 VAL A 64 -0.597 -0.698 -3.729 1.00 61.43 H new ATOM 0 HG12 VAL A 64 1.164 -0.573 -3.951 1.00 61.43 H new ATOM 0 HG13 VAL A 64 0.391 0.175 -2.533 1.00 61.43 H new ATOM 0 HG21 VAL A 64 -2.066 1.266 -4.095 1.00 51.13 H new ATOM 0 HG22 VAL A 64 -1.163 2.270 -2.935 1.00 51.13 H new ATOM 0 HG23 VAL A 64 -1.391 2.831 -4.609 1.00 51.13 H new ATOM 1029 N PHE A 65 3.405 1.090 -3.689 1.00 54.22 N ATOM 1030 CA PHE A 65 4.632 0.319 -3.933 1.00 12.44 C ATOM 1031 C PHE A 65 4.607 -0.931 -3.053 1.00 10.45 C ATOM 1032 O PHE A 65 4.194 -0.871 -1.892 1.00 63.14 O ATOM 1033 CB PHE A 65 5.898 1.184 -3.637 1.00 50.51 C ATOM 1034 CG PHE A 65 7.230 0.442 -3.807 1.00 42.42 C ATOM 1035 CD1 PHE A 65 7.716 0.136 -5.078 1.00 23.35 C ATOM 1036 CD2 PHE A 65 7.985 0.030 -2.702 1.00 45.40 C ATOM 1037 CE1 PHE A 65 8.906 -0.549 -5.244 1.00 32.23 C ATOM 1038 CE2 PHE A 65 9.174 -0.658 -2.872 1.00 15.51 C ATOM 1039 CZ PHE A 65 9.634 -0.947 -4.141 1.00 14.43 C ATOM 0 H PHE A 65 3.229 1.273 -2.701 1.00 54.22 H new ATOM 0 HA PHE A 65 4.678 0.025 -4.982 1.00 12.44 H new ATOM 0 HB2 PHE A 65 5.893 2.051 -4.298 1.00 50.51 H new ATOM 0 HB3 PHE A 65 5.834 1.561 -2.616 1.00 50.51 H new ATOM 0 HD1 PHE A 65 7.153 0.439 -5.948 1.00 23.35 H new ATOM 0 HD2 PHE A 65 7.635 0.252 -1.705 1.00 45.40 H new ATOM 0 HE1 PHE A 65 9.266 -0.773 -6.237 1.00 32.23 H new ATOM 0 HE2 PHE A 65 9.744 -0.970 -2.009 1.00 15.51 H new ATOM 0 HZ PHE A 65 10.562 -1.484 -4.271 1.00 14.43 H new ATOM 1049 N PHE A 66 5.017 -2.063 -3.624 1.00 20.21 N ATOM 1050 CA PHE A 66 5.219 -3.312 -2.886 1.00 21.12 C ATOM 1051 C PHE A 66 6.697 -3.705 -2.978 1.00 71.14 C ATOM 1052 O PHE A 66 7.277 -3.729 -4.074 1.00 14.20 O ATOM 1053 CB PHE A 66 4.332 -4.446 -3.450 1.00 30.13 C ATOM 1054 CG PHE A 66 2.820 -4.215 -3.382 1.00 71.01 C ATOM 1055 CD1 PHE A 66 2.224 -3.649 -2.260 1.00 11.11 C ATOM 1056 CD2 PHE A 66 1.996 -4.572 -4.447 1.00 63.35 C ATOM 1057 CE1 PHE A 66 0.855 -3.447 -2.205 1.00 52.40 C ATOM 1058 CE2 PHE A 66 0.631 -4.368 -4.387 1.00 73.25 C ATOM 1059 CZ PHE A 66 0.061 -3.806 -3.269 1.00 12.43 C ATOM 0 H PHE A 66 5.220 -2.141 -4.620 1.00 20.21 H new ATOM 0 HA PHE A 66 4.935 -3.158 -1.845 1.00 21.12 H new ATOM 0 HB2 PHE A 66 4.607 -4.611 -4.492 1.00 30.13 H new ATOM 0 HB3 PHE A 66 4.564 -5.364 -2.910 1.00 30.13 H new ATOM 0 HD1 PHE A 66 2.838 -3.363 -1.419 1.00 11.11 H new ATOM 0 HD2 PHE A 66 2.430 -5.014 -5.331 1.00 63.35 H new ATOM 0 HE1 PHE A 66 0.410 -3.007 -1.325 1.00 52.40 H new ATOM 0 HE2 PHE A 66 0.008 -4.651 -5.223 1.00 73.25 H new ATOM 0 HZ PHE A 66 -1.006 -3.647 -3.227 1.00 12.43 H new ATOM 1069 N GLY A 67 7.281 -4.001 -1.821 1.00 64.53 N ATOM 1070 CA GLY A 67 8.673 -4.426 -1.703 1.00 50.10 C ATOM 1071 C GLY A 67 8.772 -5.688 -0.861 1.00 4.32 C ATOM 1072 O GLY A 67 7.751 -6.153 -0.356 1.00 2.23 O ATOM 0 H GLY A 67 6.794 -3.952 -0.926 1.00 64.53 H new ATOM 0 HA2 GLY A 67 9.089 -4.609 -2.694 1.00 50.10 H new ATOM 0 HA3 GLY A 67 9.265 -3.631 -1.250 1.00 50.10 H new ATOM 1076 N PRO A 68 9.977 -6.298 -0.705 1.00 34.21 N ATOM 1077 CA PRO A 68 10.142 -7.516 0.124 1.00 72.43 C ATOM 1078 C PRO A 68 9.769 -7.261 1.603 1.00 54.03 C ATOM 1079 O PRO A 68 10.250 -6.289 2.207 1.00 14.12 O ATOM 1080 CB PRO A 68 11.641 -7.881 -0.063 1.00 72.31 C ATOM 1081 CG PRO A 68 12.302 -6.609 -0.515 1.00 43.53 C ATOM 1082 CD PRO A 68 11.259 -5.875 -1.332 1.00 13.14 C ATOM 0 HA PRO A 68 9.480 -8.329 -0.175 1.00 72.43 H new ATOM 0 HB2 PRO A 68 12.078 -8.242 0.868 1.00 72.31 H new ATOM 0 HB3 PRO A 68 11.764 -8.673 -0.802 1.00 72.31 H new ATOM 0 HG2 PRO A 68 12.624 -6.011 0.337 1.00 43.53 H new ATOM 0 HG3 PRO A 68 13.190 -6.819 -1.111 1.00 43.53 H new ATOM 0 HD2 PRO A 68 11.395 -4.795 -1.281 1.00 13.14 H new ATOM 0 HD3 PRO A 68 11.303 -6.153 -2.385 1.00 13.14 H new ATOM 1090 N ASP A 69 8.828 -8.091 2.121 1.00 73.11 N ATOM 1091 CA ASP A 69 8.368 -8.102 3.538 1.00 32.12 C ATOM 1092 C ASP A 69 7.324 -6.999 3.846 1.00 34.12 C ATOM 1093 O ASP A 69 6.457 -7.191 4.713 1.00 54.13 O ATOM 1094 CB ASP A 69 9.574 -8.045 4.537 1.00 63.33 C ATOM 1095 CG ASP A 69 9.179 -7.893 6.023 1.00 43.51 C ATOM 1096 OD1 ASP A 69 8.844 -8.912 6.667 1.00 50.13 O ATOM 1097 OD2 ASP A 69 9.235 -6.758 6.546 1.00 53.52 O ATOM 0 H ASP A 69 8.354 -8.791 1.551 1.00 73.11 H new ATOM 0 HA ASP A 69 7.858 -9.054 3.683 1.00 32.12 H new ATOM 0 HB2 ASP A 69 10.164 -8.954 4.424 1.00 63.33 H new ATOM 0 HB3 ASP A 69 10.218 -7.210 4.260 1.00 63.33 H new ATOM 1102 N SER A 70 7.367 -5.871 3.115 1.00 63.40 N ATOM 1103 CA SER A 70 6.602 -4.667 3.485 1.00 55.13 C ATOM 1104 C SER A 70 6.015 -3.947 2.259 1.00 52.34 C ATOM 1105 O SER A 70 6.382 -4.214 1.117 1.00 50.41 O ATOM 1106 CB SER A 70 7.515 -3.719 4.300 1.00 75.04 C ATOM 1107 OG SER A 70 8.700 -3.408 3.586 1.00 44.11 O ATOM 0 H SER A 70 7.923 -5.768 2.266 1.00 63.40 H new ATOM 0 HA SER A 70 5.752 -4.975 4.094 1.00 55.13 H new ATOM 0 HB2 SER A 70 6.975 -2.801 4.532 1.00 75.04 H new ATOM 0 HB3 SER A 70 7.772 -4.186 5.251 1.00 75.04 H new ATOM 0 HG SER A 70 9.466 -3.840 4.019 1.00 44.11 H new ATOM 1113 N ILE A 71 5.108 -3.008 2.545 1.00 14.31 N ATOM 1114 CA ILE A 71 4.414 -2.160 1.557 1.00 43.02 C ATOM 1115 C ILE A 71 4.804 -0.701 1.842 1.00 50.20 C ATOM 1116 O ILE A 71 5.133 -0.366 2.979 1.00 4.21 O ATOM 1117 CB ILE A 71 2.846 -2.353 1.679 1.00 63.01 C ATOM 1118 CG1 ILE A 71 2.474 -3.854 1.428 1.00 42.35 C ATOM 1119 CG2 ILE A 71 2.058 -1.401 0.736 1.00 50.44 C ATOM 1120 CD1 ILE A 71 1.002 -4.194 1.589 1.00 55.30 C ATOM 0 H ILE A 71 4.823 -2.806 3.503 1.00 14.31 H new ATOM 0 HA ILE A 71 4.703 -2.435 0.543 1.00 43.02 H new ATOM 0 HB ILE A 71 2.551 -2.084 2.693 1.00 63.01 H new ATOM 0 HG12 ILE A 71 2.784 -4.124 0.418 1.00 42.35 H new ATOM 0 HG13 ILE A 71 3.050 -4.474 2.115 1.00 42.35 H new ATOM 0 HG21 ILE A 71 0.988 -1.572 0.857 1.00 50.44 H new ATOM 0 HG22 ILE A 71 2.290 -0.366 0.987 1.00 50.44 H new ATOM 0 HG23 ILE A 71 2.342 -1.596 -0.298 1.00 50.44 H new ATOM 0 HD11 ILE A 71 0.850 -5.256 1.394 1.00 55.30 H new ATOM 0 HD12 ILE A 71 0.684 -3.963 2.606 1.00 55.30 H new ATOM 0 HD13 ILE A 71 0.414 -3.608 0.883 1.00 55.30 H new ATOM 1132 N THR A 72 4.827 0.146 0.807 1.00 70.54 N ATOM 1133 CA THR A 72 5.068 1.592 0.947 1.00 11.33 C ATOM 1134 C THR A 72 3.988 2.353 0.164 1.00 12.43 C ATOM 1135 O THR A 72 3.884 2.205 -1.055 1.00 23.11 O ATOM 1136 CB THR A 72 6.495 1.986 0.435 1.00 71.22 C ATOM 1137 OG1 THR A 72 7.477 1.181 1.108 1.00 22.00 O ATOM 1138 CG2 THR A 72 6.809 3.481 0.666 1.00 22.32 C ATOM 0 H THR A 72 4.679 -0.151 -0.157 1.00 70.54 H new ATOM 0 HA THR A 72 5.018 1.858 2.003 1.00 11.33 H new ATOM 0 HB THR A 72 6.523 1.809 -0.640 1.00 71.22 H new ATOM 0 HG1 THR A 72 8.372 1.423 0.790 1.00 22.00 H new ATOM 0 HG21 THR A 72 7.809 3.704 0.294 1.00 22.32 H new ATOM 0 HG22 THR A 72 6.079 4.092 0.135 1.00 22.32 H new ATOM 0 HG23 THR A 72 6.760 3.703 1.732 1.00 22.32 H new ATOM 1146 N VAL A 73 3.181 3.152 0.870 1.00 4.12 N ATOM 1147 CA VAL A 73 2.135 3.985 0.262 1.00 1.01 C ATOM 1148 C VAL A 73 2.607 5.446 0.314 1.00 31.44 C ATOM 1149 O VAL A 73 3.218 5.867 1.301 1.00 44.11 O ATOM 1150 CB VAL A 73 0.757 3.824 1.007 1.00 64.13 C ATOM 1151 CG1 VAL A 73 -0.334 4.726 0.389 1.00 22.01 C ATOM 1152 CG2 VAL A 73 0.300 2.342 1.025 1.00 53.14 C ATOM 0 H VAL A 73 3.234 3.240 1.885 1.00 4.12 H new ATOM 0 HA VAL A 73 1.973 3.670 -0.769 1.00 1.01 H new ATOM 0 HB VAL A 73 0.908 4.146 2.037 1.00 64.13 H new ATOM 0 HG11 VAL A 73 -1.270 4.587 0.930 1.00 22.01 H new ATOM 0 HG12 VAL A 73 -0.026 5.769 0.459 1.00 22.01 H new ATOM 0 HG13 VAL A 73 -0.477 4.459 -0.658 1.00 22.01 H new ATOM 0 HG21 VAL A 73 -0.654 2.262 1.546 1.00 53.14 H new ATOM 0 HG22 VAL A 73 0.186 1.984 0.002 1.00 53.14 H new ATOM 0 HG23 VAL A 73 1.046 1.737 1.540 1.00 53.14 H new ATOM 1162 N THR A 74 2.362 6.196 -0.759 1.00 70.02 N ATOM 1163 CA THR A 74 2.717 7.615 -0.852 1.00 1.12 C ATOM 1164 C THR A 74 1.428 8.457 -0.914 1.00 43.00 C ATOM 1165 O THR A 74 0.442 8.032 -1.521 1.00 44.12 O ATOM 1166 CB THR A 74 3.614 7.863 -2.109 1.00 60.24 C ATOM 1167 OG1 THR A 74 4.758 6.982 -2.058 1.00 53.12 O ATOM 1168 CG2 THR A 74 4.103 9.324 -2.212 1.00 12.03 C ATOM 0 H THR A 74 1.907 5.834 -1.597 1.00 70.02 H new ATOM 0 HA THR A 74 3.287 7.912 0.028 1.00 1.12 H new ATOM 0 HB THR A 74 3.004 7.660 -2.989 1.00 60.24 H new ATOM 0 HG1 THR A 74 5.322 7.133 -2.845 1.00 53.12 H new ATOM 0 HG21 THR A 74 4.721 9.439 -3.103 1.00 12.03 H new ATOM 0 HG22 THR A 74 3.244 9.991 -2.278 1.00 12.03 H new ATOM 0 HG23 THR A 74 4.690 9.574 -1.328 1.00 12.03 H new ATOM 1176 N LYS A 75 1.438 9.627 -0.247 1.00 5.32 N ATOM 1177 CA LYS A 75 0.332 10.608 -0.277 1.00 72.21 C ATOM 1178 C LYS A 75 0.552 11.583 -1.452 1.00 5.25 C ATOM 1179 O LYS A 75 1.694 11.775 -1.892 1.00 24.31 O ATOM 1180 CB LYS A 75 0.274 11.392 1.068 1.00 25.12 C ATOM 1181 CG LYS A 75 1.457 12.366 1.280 1.00 33.44 C ATOM 1182 CD LYS A 75 1.468 13.044 2.662 1.00 35.31 C ATOM 1183 CE LYS A 75 1.714 12.061 3.814 1.00 63.24 C ATOM 1184 NZ LYS A 75 1.846 12.756 5.123 1.00 71.34 N ATOM 0 H LYS A 75 2.222 9.922 0.335 1.00 5.32 H new ATOM 0 HA LYS A 75 -0.615 10.085 -0.412 1.00 72.21 H new ATOM 0 HB2 LYS A 75 -0.659 11.955 1.109 1.00 25.12 H new ATOM 0 HB3 LYS A 75 0.252 10.679 1.892 1.00 25.12 H new ATOM 0 HG2 LYS A 75 2.392 11.821 1.146 1.00 33.44 H new ATOM 0 HG3 LYS A 75 1.424 13.136 0.509 1.00 33.44 H new ATOM 0 HD2 LYS A 75 2.241 13.812 2.677 1.00 35.31 H new ATOM 0 HD3 LYS A 75 0.515 13.548 2.820 1.00 35.31 H new ATOM 0 HE2 LYS A 75 0.891 11.348 3.864 1.00 63.24 H new ATOM 0 HE3 LYS A 75 2.620 11.489 3.615 1.00 63.24 H new ATOM 0 HZ1 LYS A 75 1.960 12.052 5.880 1.00 71.34 H new ATOM 0 HZ2 LYS A 75 2.678 13.380 5.102 1.00 71.34 H new ATOM 0 HZ3 LYS A 75 0.992 13.322 5.303 1.00 71.34 H new ATOM 1198 N GLU A 76 -0.537 12.188 -1.951 1.00 43.34 N ATOM 1199 CA GLU A 76 -0.486 13.094 -3.121 1.00 40.20 C ATOM 1200 C GLU A 76 0.246 14.403 -2.792 1.00 22.25 C ATOM 1201 O GLU A 76 1.256 14.740 -3.421 1.00 11.21 O ATOM 1202 CB GLU A 76 -1.910 13.377 -3.648 1.00 64.01 C ATOM 1203 CG GLU A 76 -2.693 12.116 -4.074 1.00 72.21 C ATOM 1204 CD GLU A 76 -4.090 12.434 -4.624 1.00 62.30 C ATOM 1205 OE1 GLU A 76 -4.226 12.652 -5.849 1.00 30.33 O ATOM 1206 OE2 GLU A 76 -5.047 12.502 -3.827 1.00 3.01 O ATOM 0 H GLU A 76 -1.473 12.068 -1.563 1.00 43.34 H new ATOM 0 HA GLU A 76 0.081 12.593 -3.905 1.00 40.20 H new ATOM 0 HB2 GLU A 76 -2.475 13.896 -2.874 1.00 64.01 H new ATOM 0 HB3 GLU A 76 -1.842 14.053 -4.500 1.00 64.01 H new ATOM 0 HG2 GLU A 76 -2.123 11.581 -4.833 1.00 72.21 H new ATOM 0 HG3 GLU A 76 -2.789 11.448 -3.218 1.00 72.21 H new ATOM 1213 N ASN A 77 -0.255 15.113 -1.783 1.00 51.13 N ATOM 1214 CA ASN A 77 0.320 16.393 -1.330 1.00 52.22 C ATOM 1215 C ASN A 77 0.668 16.288 0.162 1.00 30.23 C ATOM 1216 O ASN A 77 0.136 15.422 0.872 1.00 14.25 O ATOM 1217 CB ASN A 77 -0.660 17.571 -1.596 1.00 4.51 C ATOM 1218 CG ASN A 77 -1.984 17.440 -0.845 1.00 0.51 C ATOM 1219 OD1 ASN A 77 -2.101 17.851 0.307 1.00 20.10 O ATOM 1220 ND2 ASN A 77 -2.992 16.875 -1.489 1.00 54.14 N ATOM 0 H ASN A 77 -1.074 14.822 -1.250 1.00 51.13 H new ATOM 0 HA ASN A 77 1.229 16.598 -1.895 1.00 52.22 H new ATOM 0 HB2 ASN A 77 -0.179 18.506 -1.309 1.00 4.51 H new ATOM 0 HB3 ASN A 77 -0.862 17.632 -2.665 1.00 4.51 H new ATOM 0 HD21 ASN A 77 -3.897 16.771 -1.029 1.00 54.14 H new ATOM 0 HD22 ASN A 77 -2.865 16.543 -2.445 1.00 54.14 H new ATOM 1227 N GLU A 78 1.536 17.200 0.622 1.00 73.44 N ATOM 1228 CA GLU A 78 2.088 17.209 1.995 1.00 71.21 C ATOM 1229 C GLU A 78 1.000 17.456 3.057 1.00 61.13 C ATOM 1230 O GLU A 78 1.129 17.004 4.198 1.00 5.41 O ATOM 1231 CB GLU A 78 3.193 18.294 2.105 1.00 73.32 C ATOM 1232 CG GLU A 78 4.352 18.135 1.094 1.00 72.12 C ATOM 1233 CD GLU A 78 5.357 19.297 1.162 1.00 54.10 C ATOM 1234 OE1 GLU A 78 5.080 20.362 0.570 1.00 32.14 O ATOM 1235 OE2 GLU A 78 6.409 19.165 1.825 1.00 42.35 O ATOM 0 H GLU A 78 1.883 17.967 0.046 1.00 73.44 H new ATOM 0 HA GLU A 78 2.512 16.224 2.188 1.00 71.21 H new ATOM 0 HB2 GLU A 78 2.737 19.274 1.964 1.00 73.32 H new ATOM 0 HB3 GLU A 78 3.603 18.275 3.115 1.00 73.32 H new ATOM 0 HG2 GLU A 78 4.872 17.197 1.288 1.00 72.12 H new ATOM 0 HG3 GLU A 78 3.944 18.071 0.085 1.00 72.12 H new ATOM 1242 N GLU A 79 -0.082 18.152 2.656 1.00 31.23 N ATOM 1243 CA GLU A 79 -1.172 18.555 3.572 1.00 60.12 C ATOM 1244 C GLU A 79 -2.119 17.378 3.894 1.00 53.23 C ATOM 1245 O GLU A 79 -3.043 17.524 4.701 1.00 32.04 O ATOM 1246 CB GLU A 79 -1.964 19.757 2.977 1.00 1.23 C ATOM 1247 CG GLU A 79 -1.093 20.966 2.556 1.00 52.54 C ATOM 1248 CD GLU A 79 -0.195 21.509 3.689 1.00 1.41 C ATOM 1249 OE1 GLU A 79 -0.695 22.271 4.546 1.00 73.43 O ATOM 1250 OE2 GLU A 79 1.013 21.172 3.732 1.00 4.23 O ATOM 0 H GLU A 79 -0.227 18.451 1.692 1.00 31.23 H new ATOM 0 HA GLU A 79 -0.716 18.866 4.512 1.00 60.12 H new ATOM 0 HB2 GLU A 79 -2.523 19.410 2.108 1.00 1.23 H new ATOM 0 HB3 GLU A 79 -2.694 20.093 3.713 1.00 1.23 H new ATOM 0 HG2 GLU A 79 -0.465 20.674 1.715 1.00 52.54 H new ATOM 0 HG3 GLU A 79 -1.744 21.767 2.205 1.00 52.54 H new ATOM 1257 N LEU A 80 -1.891 16.218 3.249 1.00 1.13 N ATOM 1258 CA LEU A 80 -2.594 14.966 3.567 1.00 74.45 C ATOM 1259 C LEU A 80 -1.937 14.302 4.784 1.00 41.43 C ATOM 1260 O LEU A 80 -0.754 13.952 4.762 1.00 2.10 O ATOM 1261 CB LEU A 80 -2.572 14.014 2.354 1.00 41.22 C ATOM 1262 CG LEU A 80 -3.369 14.502 1.106 1.00 2.10 C ATOM 1263 CD1 LEU A 80 -3.076 13.608 -0.093 1.00 41.31 C ATOM 1264 CD2 LEU A 80 -4.887 14.558 1.388 1.00 5.32 C ATOM 0 H LEU A 80 -1.213 16.125 2.493 1.00 1.13 H new ATOM 0 HA LEU A 80 -3.634 15.191 3.804 1.00 74.45 H new ATOM 0 HB2 LEU A 80 -1.535 13.851 2.061 1.00 41.22 H new ATOM 0 HB3 LEU A 80 -2.971 13.048 2.664 1.00 41.22 H new ATOM 0 HG LEU A 80 -3.041 15.516 0.876 1.00 2.10 H new ATOM 0 HD11 LEU A 80 -3.640 13.961 -0.957 1.00 41.31 H new ATOM 0 HD12 LEU A 80 -2.010 13.639 -0.318 1.00 41.31 H new ATOM 0 HD13 LEU A 80 -3.369 12.583 0.137 1.00 41.31 H new ATOM 0 HD21 LEU A 80 -5.410 14.902 0.496 1.00 5.32 H new ATOM 0 HD22 LEU A 80 -5.244 13.564 1.657 1.00 5.32 H new ATOM 0 HD23 LEU A 80 -5.079 15.247 2.210 1.00 5.32 H new ATOM 1276 N ASP A 81 -2.710 14.189 5.846 1.00 15.51 N ATOM 1277 CA ASP A 81 -2.286 13.586 7.117 1.00 11.41 C ATOM 1278 C ASP A 81 -2.515 12.063 7.102 1.00 43.45 C ATOM 1279 O ASP A 81 -3.597 11.606 6.732 1.00 31.02 O ATOM 1280 CB ASP A 81 -3.074 14.261 8.263 1.00 0.34 C ATOM 1281 CG ASP A 81 -2.883 13.585 9.624 1.00 43.23 C ATOM 1282 OD1 ASP A 81 -1.852 13.815 10.280 1.00 50.10 O ATOM 1283 OD2 ASP A 81 -3.760 12.814 10.034 1.00 65.01 O ATOM 0 H ASP A 81 -3.675 14.518 5.861 1.00 15.51 H new ATOM 0 HA ASP A 81 -1.218 13.746 7.267 1.00 11.41 H new ATOM 0 HB2 ASP A 81 -2.766 15.304 8.339 1.00 0.34 H new ATOM 0 HB3 ASP A 81 -4.135 14.260 8.012 1.00 0.34 H new ATOM 1288 N TRP A 82 -1.492 11.289 7.542 1.00 74.53 N ATOM 1289 CA TRP A 82 -1.512 9.808 7.500 1.00 54.35 C ATOM 1290 C TRP A 82 -2.607 9.190 8.387 1.00 62.12 C ATOM 1291 O TRP A 82 -3.124 8.132 8.035 1.00 35.53 O ATOM 1292 CB TRP A 82 -0.121 9.187 7.866 1.00 51.43 C ATOM 1293 CG TRP A 82 0.862 9.115 6.711 1.00 12.11 C ATOM 1294 CD1 TRP A 82 2.136 9.618 6.667 1.00 4.25 C ATOM 1295 CD2 TRP A 82 0.645 8.473 5.434 1.00 62.20 C ATOM 1296 NE1 TRP A 82 2.713 9.340 5.451 1.00 42.41 N ATOM 1297 CE2 TRP A 82 1.818 8.642 4.680 1.00 14.24 C ATOM 1298 CE3 TRP A 82 -0.431 7.773 4.860 1.00 75.14 C ATOM 1299 CZ2 TRP A 82 1.949 8.143 3.388 1.00 52.10 C ATOM 1300 CZ3 TRP A 82 -0.299 7.283 3.576 1.00 3.13 C ATOM 1301 CH2 TRP A 82 0.882 7.470 2.855 1.00 41.53 C ATOM 0 H TRP A 82 -0.633 11.674 7.935 1.00 74.53 H new ATOM 0 HA TRP A 82 -1.746 9.559 6.465 1.00 54.35 H new ATOM 0 HB2 TRP A 82 0.324 9.774 8.669 1.00 51.43 H new ATOM 0 HB3 TRP A 82 -0.278 8.181 8.256 1.00 51.43 H new ATOM 0 HD1 TRP A 82 2.617 10.155 7.471 1.00 4.25 H new ATOM 0 HE1 TRP A 82 3.655 9.609 5.167 1.00 42.41 H new ATOM 0 HE3 TRP A 82 -1.345 7.621 5.414 1.00 75.14 H new ATOM 0 HZ2 TRP A 82 2.860 8.282 2.825 1.00 52.10 H new ATOM 0 HZ3 TRP A 82 -1.120 6.748 3.123 1.00 3.13 H new ATOM 0 HH2 TRP A 82 0.956 7.074 1.853 1.00 41.53 H new ATOM 1312 N ASN A 83 -2.971 9.843 9.519 1.00 40.03 N ATOM 1313 CA ASN A 83 -3.979 9.288 10.471 1.00 2.34 C ATOM 1314 C ASN A 83 -5.345 9.072 9.788 1.00 63.54 C ATOM 1315 O ASN A 83 -6.151 8.265 10.252 1.00 20.43 O ATOM 1316 CB ASN A 83 -4.174 10.191 11.720 1.00 20.04 C ATOM 1317 CG ASN A 83 -2.916 10.349 12.569 1.00 23.23 C ATOM 1318 OD1 ASN A 83 -2.663 9.556 13.471 1.00 31.44 O ATOM 1319 ND2 ASN A 83 -2.129 11.376 12.302 1.00 72.33 N ATOM 0 H ASN A 83 -2.588 10.747 9.798 1.00 40.03 H new ATOM 0 HA ASN A 83 -3.582 8.327 10.798 1.00 2.34 H new ATOM 0 HB2 ASN A 83 -4.508 11.177 11.396 1.00 20.04 H new ATOM 0 HB3 ASN A 83 -4.968 9.773 12.339 1.00 20.04 H new ATOM 0 HD21 ASN A 83 -1.284 11.527 12.852 1.00 72.33 H new ATOM 0 HD22 ASN A 83 -2.367 12.018 11.546 1.00 72.33 H new ATOM 1326 N LEU A 84 -5.591 9.812 8.691 1.00 60.14 N ATOM 1327 CA LEU A 84 -6.842 9.719 7.924 1.00 33.22 C ATOM 1328 C LEU A 84 -6.838 8.464 7.026 1.00 75.32 C ATOM 1329 O LEU A 84 -7.848 7.771 6.922 1.00 75.11 O ATOM 1330 CB LEU A 84 -7.042 11.006 7.078 1.00 54.22 C ATOM 1331 CG LEU A 84 -7.027 12.351 7.874 1.00 52.20 C ATOM 1332 CD1 LEU A 84 -7.267 13.553 6.944 1.00 13.03 C ATOM 1333 CD2 LEU A 84 -8.040 12.335 9.042 1.00 21.24 C ATOM 0 H LEU A 84 -4.928 10.489 8.314 1.00 60.14 H new ATOM 0 HA LEU A 84 -7.676 9.628 8.620 1.00 33.22 H new ATOM 0 HB2 LEU A 84 -6.260 11.045 6.320 1.00 54.22 H new ATOM 0 HB3 LEU A 84 -7.993 10.928 6.551 1.00 54.22 H new ATOM 0 HG LEU A 84 -6.033 12.460 8.308 1.00 52.20 H new ATOM 0 HD11 LEU A 84 -7.251 14.473 7.528 1.00 13.03 H new ATOM 0 HD12 LEU A 84 -6.484 13.589 6.187 1.00 13.03 H new ATOM 0 HD13 LEU A 84 -8.237 13.449 6.458 1.00 13.03 H new ATOM 0 HD21 LEU A 84 -8.000 13.287 9.571 1.00 21.24 H new ATOM 0 HD22 LEU A 84 -9.045 12.180 8.650 1.00 21.24 H new ATOM 0 HD23 LEU A 84 -7.790 11.527 9.729 1.00 21.24 H new ATOM 1345 N LEU A 85 -5.687 8.176 6.391 1.00 54.21 N ATOM 1346 CA LEU A 85 -5.553 7.049 5.448 1.00 4.41 C ATOM 1347 C LEU A 85 -5.334 5.711 6.184 1.00 12.01 C ATOM 1348 O LEU A 85 -5.824 4.686 5.729 1.00 1.14 O ATOM 1349 CB LEU A 85 -4.389 7.290 4.440 1.00 32.25 C ATOM 1350 CG LEU A 85 -4.531 8.519 3.462 1.00 53.35 C ATOM 1351 CD1 LEU A 85 -4.209 9.859 4.148 1.00 13.54 C ATOM 1352 CD2 LEU A 85 -3.677 8.329 2.185 1.00 43.12 C ATOM 0 H LEU A 85 -4.829 8.713 6.515 1.00 54.21 H new ATOM 0 HA LEU A 85 -6.491 6.989 4.896 1.00 4.41 H new ATOM 0 HB2 LEU A 85 -3.468 7.415 5.010 1.00 32.25 H new ATOM 0 HB3 LEU A 85 -4.271 6.389 3.837 1.00 32.25 H new ATOM 0 HG LEU A 85 -5.579 8.558 3.165 1.00 53.35 H new ATOM 0 HD11 LEU A 85 -4.322 10.672 3.430 1.00 13.54 H new ATOM 0 HD12 LEU A 85 -4.893 10.014 4.983 1.00 13.54 H new ATOM 0 HD13 LEU A 85 -3.184 9.841 4.517 1.00 13.54 H new ATOM 0 HD21 LEU A 85 -3.799 9.194 1.534 1.00 43.12 H new ATOM 0 HD22 LEU A 85 -2.627 8.227 2.461 1.00 43.12 H new ATOM 0 HD23 LEU A 85 -4.003 7.431 1.660 1.00 43.12 H new ATOM 1364 N LYS A 86 -4.577 5.733 7.303 1.00 1.43 N ATOM 1365 CA LYS A 86 -4.162 4.508 8.033 1.00 3.51 C ATOM 1366 C LYS A 86 -5.311 3.512 8.371 1.00 23.25 C ATOM 1367 O LYS A 86 -5.126 2.324 8.111 1.00 61.10 O ATOM 1368 CB LYS A 86 -3.374 4.856 9.321 1.00 1.12 C ATOM 1369 CG LYS A 86 -1.947 5.357 9.068 1.00 53.24 C ATOM 1370 CD LYS A 86 -1.178 5.570 10.386 1.00 2.42 C ATOM 1371 CE LYS A 86 0.280 5.957 10.167 1.00 24.44 C ATOM 1372 NZ LYS A 86 1.044 5.951 11.442 1.00 63.10 N ATOM 0 H LYS A 86 -4.236 6.596 7.727 1.00 1.43 H new ATOM 0 HA LYS A 86 -3.516 3.987 7.326 1.00 3.51 H new ATOM 0 HB2 LYS A 86 -3.922 5.619 9.874 1.00 1.12 H new ATOM 0 HB3 LYS A 86 -3.329 3.972 9.956 1.00 1.12 H new ATOM 0 HG2 LYS A 86 -1.413 4.638 8.447 1.00 53.24 H new ATOM 0 HG3 LYS A 86 -1.983 6.294 8.512 1.00 53.24 H new ATOM 0 HD2 LYS A 86 -1.672 6.349 10.967 1.00 2.42 H new ATOM 0 HD3 LYS A 86 -1.221 4.655 10.978 1.00 2.42 H new ATOM 0 HE2 LYS A 86 0.740 5.263 9.463 1.00 24.44 H new ATOM 0 HE3 LYS A 86 0.330 6.948 9.716 1.00 24.44 H new ATOM 0 HZ1 LYS A 86 2.039 6.186 11.252 1.00 63.10 H new ATOM 0 HZ2 LYS A 86 0.640 6.656 12.092 1.00 63.10 H new ATOM 0 HZ3 LYS A 86 0.988 5.008 11.876 1.00 63.10 H new ATOM 1386 N PRO A 87 -6.485 3.939 8.988 1.00 73.32 N ATOM 1387 CA PRO A 87 -7.589 2.990 9.304 1.00 10.15 C ATOM 1388 C PRO A 87 -8.099 2.273 8.035 1.00 4.45 C ATOM 1389 O PRO A 87 -8.475 1.100 8.080 1.00 62.13 O ATOM 1390 CB PRO A 87 -8.684 3.902 9.941 1.00 71.23 C ATOM 1391 CG PRO A 87 -8.335 5.296 9.505 1.00 71.25 C ATOM 1392 CD PRO A 87 -6.828 5.320 9.440 1.00 70.12 C ATOM 0 HA PRO A 87 -7.280 2.184 9.970 1.00 10.15 H new ATOM 0 HB2 PRO A 87 -9.680 3.620 9.599 1.00 71.23 H new ATOM 0 HB3 PRO A 87 -8.684 3.817 11.028 1.00 71.23 H new ATOM 0 HG2 PRO A 87 -8.775 5.528 8.535 1.00 71.25 H new ATOM 0 HG3 PRO A 87 -8.711 6.036 10.211 1.00 71.25 H new ATOM 0 HD2 PRO A 87 -6.467 6.074 8.741 1.00 70.12 H new ATOM 0 HD3 PRO A 87 -6.386 5.548 10.410 1.00 70.12 H new ATOM 1400 N ASP A 88 -8.059 3.008 6.911 1.00 65.42 N ATOM 1401 CA ASP A 88 -8.456 2.520 5.583 1.00 33.22 C ATOM 1402 C ASP A 88 -7.421 1.525 5.034 1.00 32.21 C ATOM 1403 O ASP A 88 -7.789 0.461 4.546 1.00 52.24 O ATOM 1404 CB ASP A 88 -8.620 3.729 4.624 1.00 13.13 C ATOM 1405 CG ASP A 88 -9.795 4.627 5.014 1.00 21.12 C ATOM 1406 OD1 ASP A 88 -9.627 5.494 5.898 1.00 42.44 O ATOM 1407 OD2 ASP A 88 -10.899 4.455 4.460 1.00 32.14 O ATOM 0 H ASP A 88 -7.743 3.978 6.902 1.00 65.42 H new ATOM 0 HA ASP A 88 -9.407 1.994 5.664 1.00 33.22 H new ATOM 0 HB2 ASP A 88 -7.702 4.316 4.624 1.00 13.13 H new ATOM 0 HB3 ASP A 88 -8.766 3.365 3.607 1.00 13.13 H new ATOM 1412 N ILE A 89 -6.120 1.881 5.155 1.00 11.14 N ATOM 1413 CA ILE A 89 -4.999 1.073 4.632 1.00 72.13 C ATOM 1414 C ILE A 89 -4.925 -0.277 5.376 1.00 3.01 C ATOM 1415 O ILE A 89 -4.766 -1.327 4.746 1.00 40.53 O ATOM 1416 CB ILE A 89 -3.622 1.856 4.737 1.00 4.44 C ATOM 1417 CG1 ILE A 89 -3.666 3.146 3.848 1.00 2.34 C ATOM 1418 CG2 ILE A 89 -2.406 0.964 4.363 1.00 42.02 C ATOM 1419 CD1 ILE A 89 -2.439 4.040 3.929 1.00 33.15 C ATOM 0 H ILE A 89 -5.821 2.738 5.619 1.00 11.14 H new ATOM 0 HA ILE A 89 -5.182 0.879 3.575 1.00 72.13 H new ATOM 0 HB ILE A 89 -3.488 2.147 5.779 1.00 4.44 H new ATOM 0 HG12 ILE A 89 -3.807 2.846 2.810 1.00 2.34 H new ATOM 0 HG13 ILE A 89 -4.540 3.732 4.132 1.00 2.34 H new ATOM 0 HG21 ILE A 89 -1.488 1.545 4.450 1.00 42.02 H new ATOM 0 HG22 ILE A 89 -2.360 0.110 5.038 1.00 42.02 H new ATOM 0 HG23 ILE A 89 -2.516 0.611 3.338 1.00 42.02 H new ATOM 0 HD11 ILE A 89 -2.574 4.903 3.276 1.00 33.15 H new ATOM 0 HD12 ILE A 89 -2.303 4.380 4.956 1.00 33.15 H new ATOM 0 HD13 ILE A 89 -1.559 3.480 3.613 1.00 33.15 H new ATOM 1431 N TYR A 90 -5.098 -0.228 6.713 1.00 10.12 N ATOM 1432 CA TYR A 90 -5.045 -1.421 7.577 1.00 3.35 C ATOM 1433 C TYR A 90 -6.233 -2.341 7.292 1.00 61.34 C ATOM 1434 O TYR A 90 -6.050 -3.543 7.126 1.00 73.12 O ATOM 1435 CB TYR A 90 -5.014 -1.040 9.084 1.00 34.12 C ATOM 1436 CG TYR A 90 -3.818 -0.182 9.533 1.00 23.03 C ATOM 1437 CD1 TYR A 90 -2.677 -0.004 8.735 1.00 32.50 C ATOM 1438 CD2 TYR A 90 -3.839 0.451 10.774 1.00 10.23 C ATOM 1439 CE1 TYR A 90 -1.622 0.776 9.164 1.00 20.12 C ATOM 1440 CE2 TYR A 90 -2.787 1.231 11.200 1.00 44.12 C ATOM 1441 CZ TYR A 90 -1.678 1.389 10.398 1.00 44.30 C ATOM 1442 OH TYR A 90 -0.629 2.178 10.822 1.00 21.11 O ATOM 0 H TYR A 90 -5.278 0.638 7.221 1.00 10.12 H new ATOM 0 HA TYR A 90 -4.120 -1.950 7.347 1.00 3.35 H new ATOM 0 HB2 TYR A 90 -5.932 -0.503 9.323 1.00 34.12 H new ATOM 0 HB3 TYR A 90 -5.020 -1.958 9.672 1.00 34.12 H new ATOM 0 HD1 TYR A 90 -2.624 -0.485 7.770 1.00 32.50 H new ATOM 0 HD2 TYR A 90 -4.699 0.327 11.416 1.00 10.23 H new ATOM 0 HE1 TYR A 90 -0.754 0.906 8.534 1.00 20.12 H new ATOM 0 HE2 TYR A 90 -2.831 1.719 12.163 1.00 44.12 H new ATOM 0 HH TYR A 90 -0.828 2.536 11.712 1.00 21.11 H new ATOM 1452 N ALA A 91 -7.447 -1.751 7.217 1.00 11.21 N ATOM 1453 CA ALA A 91 -8.687 -2.503 6.956 1.00 60.03 C ATOM 1454 C ALA A 91 -8.611 -3.239 5.604 1.00 54.14 C ATOM 1455 O ALA A 91 -8.988 -4.409 5.516 1.00 52.45 O ATOM 1456 CB ALA A 91 -9.902 -1.568 6.989 1.00 15.43 C ATOM 0 H ALA A 91 -7.591 -0.748 7.335 1.00 11.21 H new ATOM 0 HA ALA A 91 -8.801 -3.248 7.743 1.00 60.03 H new ATOM 0 HB1 ALA A 91 -10.808 -2.142 6.794 1.00 15.43 H new ATOM 0 HB2 ALA A 91 -9.974 -1.099 7.970 1.00 15.43 H new ATOM 0 HB3 ALA A 91 -9.789 -0.798 6.226 1.00 15.43 H new ATOM 1462 N THR A 92 -8.102 -2.530 4.573 1.00 4.24 N ATOM 1463 CA THR A 92 -7.940 -3.066 3.212 1.00 43.45 C ATOM 1464 C THR A 92 -6.948 -4.256 3.178 1.00 41.14 C ATOM 1465 O THR A 92 -7.273 -5.312 2.622 1.00 22.15 O ATOM 1466 CB THR A 92 -7.482 -1.941 2.222 1.00 4.02 C ATOM 1467 OG1 THR A 92 -8.462 -0.891 2.203 1.00 4.10 O ATOM 1468 CG2 THR A 92 -7.295 -2.458 0.792 1.00 22.52 C ATOM 0 H THR A 92 -7.791 -1.563 4.667 1.00 4.24 H new ATOM 0 HA THR A 92 -8.913 -3.438 2.891 1.00 43.45 H new ATOM 0 HB THR A 92 -6.519 -1.575 2.578 1.00 4.02 H new ATOM 0 HG1 THR A 92 -8.345 -0.320 2.991 1.00 4.10 H new ATOM 0 HG21 THR A 92 -6.978 -1.638 0.147 1.00 22.52 H new ATOM 0 HG22 THR A 92 -6.536 -3.241 0.784 1.00 22.52 H new ATOM 0 HG23 THR A 92 -8.238 -2.863 0.425 1.00 22.52 H new ATOM 1476 N ILE A 93 -5.756 -4.078 3.799 1.00 42.02 N ATOM 1477 CA ILE A 93 -4.688 -5.110 3.807 1.00 61.43 C ATOM 1478 C ILE A 93 -5.130 -6.352 4.620 1.00 45.55 C ATOM 1479 O ILE A 93 -5.046 -7.473 4.117 1.00 52.11 O ATOM 1480 CB ILE A 93 -3.314 -4.550 4.356 1.00 75.30 C ATOM 1481 CG1 ILE A 93 -2.769 -3.405 3.438 1.00 41.13 C ATOM 1482 CG2 ILE A 93 -2.252 -5.674 4.512 1.00 34.34 C ATOM 1483 CD1 ILE A 93 -1.508 -2.718 3.952 1.00 34.34 C ATOM 0 H ILE A 93 -5.509 -3.226 4.303 1.00 42.02 H new ATOM 0 HA ILE A 93 -4.525 -5.405 2.770 1.00 61.43 H new ATOM 0 HB ILE A 93 -3.508 -4.139 5.347 1.00 75.30 H new ATOM 0 HG12 ILE A 93 -2.564 -3.817 2.450 1.00 41.13 H new ATOM 0 HG13 ILE A 93 -3.550 -2.655 3.315 1.00 41.13 H new ATOM 0 HG21 ILE A 93 -1.324 -5.247 4.891 1.00 34.34 H new ATOM 0 HG22 ILE A 93 -2.618 -6.426 5.211 1.00 34.34 H new ATOM 0 HG23 ILE A 93 -2.069 -6.138 3.543 1.00 34.34 H new ATOM 0 HD11 ILE A 93 -1.206 -1.940 3.251 1.00 34.34 H new ATOM 0 HD12 ILE A 93 -1.708 -2.271 4.926 1.00 34.34 H new ATOM 0 HD13 ILE A 93 -0.707 -3.451 4.047 1.00 34.34 H new ATOM 1495 N MET A 94 -5.618 -6.138 5.865 1.00 22.40 N ATOM 1496 CA MET A 94 -6.071 -7.241 6.749 1.00 72.14 C ATOM 1497 C MET A 94 -7.165 -8.086 6.071 1.00 22.32 C ATOM 1498 O MET A 94 -7.089 -9.315 6.088 1.00 71.12 O ATOM 1499 CB MET A 94 -6.593 -6.716 8.119 1.00 12.41 C ATOM 1500 CG MET A 94 -5.535 -6.067 9.020 1.00 51.45 C ATOM 1501 SD MET A 94 -6.190 -5.634 10.653 1.00 12.20 S ATOM 1502 CE MET A 94 -7.487 -4.464 10.237 1.00 11.23 C ATOM 0 H MET A 94 -5.708 -5.211 6.281 1.00 22.40 H new ATOM 0 HA MET A 94 -5.198 -7.867 6.933 1.00 72.14 H new ATOM 0 HB2 MET A 94 -7.383 -5.989 7.933 1.00 12.41 H new ATOM 0 HB3 MET A 94 -7.046 -7.548 8.659 1.00 12.41 H new ATOM 0 HG2 MET A 94 -4.694 -6.750 9.138 1.00 51.45 H new ATOM 0 HG3 MET A 94 -5.151 -5.169 8.536 1.00 51.45 H new ATOM 0 HE1 MET A 94 -7.826 -3.960 11.142 1.00 11.23 H new ATOM 0 HE2 MET A 94 -7.100 -3.726 9.534 1.00 11.23 H new ATOM 0 HE3 MET A 94 -8.323 -4.995 9.782 1.00 11.23 H new ATOM 1512 N ASP A 95 -8.167 -7.400 5.477 1.00 31.13 N ATOM 1513 CA ASP A 95 -9.290 -8.045 4.764 1.00 64.13 C ATOM 1514 C ASP A 95 -8.803 -8.819 3.527 1.00 3.11 C ATOM 1515 O ASP A 95 -9.313 -9.902 3.240 1.00 70.11 O ATOM 1516 CB ASP A 95 -10.349 -6.994 4.337 1.00 65.43 C ATOM 1517 CG ASP A 95 -11.561 -7.620 3.615 1.00 52.31 C ATOM 1518 OD1 ASP A 95 -12.458 -8.153 4.303 1.00 45.03 O ATOM 1519 OD2 ASP A 95 -11.620 -7.590 2.359 1.00 55.33 O ATOM 0 H ASP A 95 -8.219 -6.381 5.479 1.00 31.13 H new ATOM 0 HA ASP A 95 -9.747 -8.753 5.456 1.00 64.13 H new ATOM 0 HB2 ASP A 95 -10.696 -6.457 5.219 1.00 65.43 H new ATOM 0 HB3 ASP A 95 -9.881 -6.260 3.681 1.00 65.43 H new ATOM 1524 N PHE A 96 -7.822 -8.242 2.814 1.00 41.21 N ATOM 1525 CA PHE A 96 -7.256 -8.825 1.582 1.00 72.44 C ATOM 1526 C PHE A 96 -6.583 -10.184 1.879 1.00 34.30 C ATOM 1527 O PHE A 96 -6.724 -11.144 1.113 1.00 30.43 O ATOM 1528 CB PHE A 96 -6.243 -7.827 0.959 1.00 33.34 C ATOM 1529 CG PHE A 96 -5.672 -8.255 -0.384 1.00 55.44 C ATOM 1530 CD1 PHE A 96 -6.410 -8.081 -1.552 1.00 1.42 C ATOM 1531 CD2 PHE A 96 -4.407 -8.835 -0.482 1.00 23.45 C ATOM 1532 CE1 PHE A 96 -5.902 -8.469 -2.770 1.00 13.24 C ATOM 1533 CE2 PHE A 96 -3.904 -9.223 -1.700 1.00 54.52 C ATOM 1534 CZ PHE A 96 -4.650 -9.042 -2.843 1.00 63.44 C ATOM 0 H PHE A 96 -7.396 -7.353 3.076 1.00 41.21 H new ATOM 0 HA PHE A 96 -8.060 -9.006 0.868 1.00 72.44 H new ATOM 0 HB2 PHE A 96 -6.733 -6.861 0.839 1.00 33.34 H new ATOM 0 HB3 PHE A 96 -5.420 -7.682 1.659 1.00 33.34 H new ATOM 0 HD1 PHE A 96 -7.393 -7.636 -1.501 1.00 1.42 H new ATOM 0 HD2 PHE A 96 -3.816 -8.981 0.410 1.00 23.45 H new ATOM 0 HE1 PHE A 96 -6.483 -8.325 -3.669 1.00 13.24 H new ATOM 0 HE2 PHE A 96 -2.923 -9.670 -1.761 1.00 54.52 H new ATOM 0 HZ PHE A 96 -4.253 -9.350 -3.799 1.00 63.44 H new ATOM 1544 N PHE A 97 -5.856 -10.233 3.011 1.00 71.11 N ATOM 1545 CA PHE A 97 -5.151 -11.443 3.483 1.00 72.53 C ATOM 1546 C PHE A 97 -6.130 -12.413 4.176 1.00 20.12 C ATOM 1547 O PHE A 97 -5.954 -13.636 4.104 1.00 41.31 O ATOM 1548 CB PHE A 97 -3.965 -11.055 4.416 1.00 61.00 C ATOM 1549 CG PHE A 97 -2.768 -10.421 3.684 1.00 33.41 C ATOM 1550 CD1 PHE A 97 -2.903 -9.232 2.969 1.00 71.54 C ATOM 1551 CD2 PHE A 97 -1.507 -11.010 3.720 1.00 24.33 C ATOM 1552 CE1 PHE A 97 -1.829 -8.656 2.320 1.00 41.22 C ATOM 1553 CE2 PHE A 97 -0.430 -10.433 3.070 1.00 64.33 C ATOM 1554 CZ PHE A 97 -0.592 -9.257 2.371 1.00 30.33 C ATOM 0 H PHE A 97 -5.740 -9.430 3.629 1.00 71.11 H new ATOM 0 HA PHE A 97 -4.736 -11.963 2.620 1.00 72.53 H new ATOM 0 HB2 PHE A 97 -4.325 -10.357 5.172 1.00 61.00 H new ATOM 0 HB3 PHE A 97 -3.624 -11.947 4.942 1.00 61.00 H new ATOM 0 HD1 PHE A 97 -3.869 -8.751 2.922 1.00 71.54 H new ATOM 0 HD2 PHE A 97 -1.367 -11.932 4.264 1.00 24.33 H new ATOM 0 HE1 PHE A 97 -1.960 -7.734 1.773 1.00 41.22 H new ATOM 0 HE2 PHE A 97 0.540 -10.906 3.111 1.00 64.33 H new ATOM 0 HZ PHE A 97 0.249 -8.808 1.864 1.00 30.33 H new ATOM 1564 N ALA A 98 -7.181 -11.856 4.814 1.00 21.21 N ATOM 1565 CA ALA A 98 -8.266 -12.649 5.444 1.00 65.20 C ATOM 1566 C ALA A 98 -9.116 -13.350 4.369 1.00 73.43 C ATOM 1567 O ALA A 98 -9.686 -14.423 4.609 1.00 4.32 O ATOM 1568 CB ALA A 98 -9.147 -11.756 6.336 1.00 21.44 C ATOM 0 H ALA A 98 -7.304 -10.848 4.909 1.00 21.21 H new ATOM 0 HA ALA A 98 -7.810 -13.413 6.074 1.00 65.20 H new ATOM 0 HB1 ALA A 98 -9.936 -12.358 6.788 1.00 21.44 H new ATOM 0 HB2 ALA A 98 -8.536 -11.310 7.121 1.00 21.44 H new ATOM 0 HB3 ALA A 98 -9.594 -10.966 5.732 1.00 21.44 H new ATOM 1574 N SER A 99 -9.191 -12.716 3.188 1.00 2.01 N ATOM 1575 CA SER A 99 -9.834 -13.280 2.000 1.00 2.22 C ATOM 1576 C SER A 99 -8.870 -14.279 1.342 1.00 41.05 C ATOM 1577 O SER A 99 -9.283 -15.351 0.877 1.00 42.15 O ATOM 1578 CB SER A 99 -10.210 -12.145 1.020 1.00 62.14 C ATOM 1579 OG SER A 99 -10.907 -12.636 -0.114 1.00 0.12 O ATOM 0 H SER A 99 -8.801 -11.786 3.034 1.00 2.01 H new ATOM 0 HA SER A 99 -10.750 -13.802 2.279 1.00 2.22 H new ATOM 0 HB2 SER A 99 -10.828 -11.410 1.536 1.00 62.14 H new ATOM 0 HB3 SER A 99 -9.305 -11.630 0.696 1.00 62.14 H new ATOM 0 HG SER A 99 -11.129 -11.890 -0.710 1.00 0.12 H new ATOM 1585 N GLY A 100 -7.572 -13.911 1.343 1.00 51.44 N ATOM 1586 CA GLY A 100 -6.505 -14.740 0.788 1.00 70.44 C ATOM 1587 C GLY A 100 -6.360 -14.599 -0.719 1.00 44.34 C ATOM 1588 O GLY A 100 -5.966 -15.556 -1.395 1.00 4.52 O ATOM 0 H GLY A 100 -7.243 -13.027 1.732 1.00 51.44 H new ATOM 0 HA2 GLY A 100 -5.561 -14.473 1.264 1.00 70.44 H new ATOM 0 HA3 GLY A 100 -6.701 -15.784 1.032 1.00 70.44 H new ATOM 1592 N LEU A 101 -6.681 -13.400 -1.240 1.00 4.34 N ATOM 1593 CA LEU A 101 -6.552 -13.081 -2.676 1.00 43.22 C ATOM 1594 C LEU A 101 -5.059 -12.931 -3.063 1.00 70.13 C ATOM 1595 O LEU A 101 -4.268 -12.440 -2.239 1.00 40.14 O ATOM 1596 CB LEU A 101 -7.329 -11.773 -3.000 1.00 23.55 C ATOM 1597 CG LEU A 101 -8.877 -11.831 -2.818 1.00 21.44 C ATOM 1598 CD1 LEU A 101 -9.515 -10.436 -2.971 1.00 33.12 C ATOM 1599 CD2 LEU A 101 -9.508 -12.845 -3.797 1.00 52.32 C ATOM 0 H LEU A 101 -7.037 -12.626 -0.679 1.00 4.34 H new ATOM 0 HA LEU A 101 -6.978 -13.898 -3.258 1.00 43.22 H new ATOM 0 HB2 LEU A 101 -6.939 -10.976 -2.367 1.00 23.55 H new ATOM 0 HB3 LEU A 101 -7.115 -11.494 -4.032 1.00 23.55 H new ATOM 0 HG LEU A 101 -9.080 -12.172 -1.803 1.00 21.44 H new ATOM 0 HD11 LEU A 101 -10.594 -10.513 -2.838 1.00 33.12 H new ATOM 0 HD12 LEU A 101 -9.104 -9.763 -2.218 1.00 33.12 H new ATOM 0 HD13 LEU A 101 -9.299 -10.044 -3.965 1.00 33.12 H new ATOM 0 HD21 LEU A 101 -10.588 -12.868 -3.651 1.00 52.32 H new ATOM 0 HD22 LEU A 101 -9.286 -12.547 -4.822 1.00 52.32 H new ATOM 0 HD23 LEU A 101 -9.096 -13.836 -3.610 1.00 52.32 H new ATOM 1611 N PRO A 102 -4.649 -13.377 -4.302 1.00 60.51 N ATOM 1612 CA PRO A 102 -3.271 -13.180 -4.821 1.00 63.31 C ATOM 1613 C PRO A 102 -2.835 -11.702 -4.772 1.00 43.11 C ATOM 1614 O PRO A 102 -3.522 -10.838 -5.335 1.00 31.44 O ATOM 1615 CB PRO A 102 -3.356 -13.688 -6.285 1.00 31.33 C ATOM 1616 CG PRO A 102 -4.470 -14.687 -6.264 1.00 55.33 C ATOM 1617 CD PRO A 102 -5.485 -14.127 -5.282 1.00 24.25 C ATOM 0 HA PRO A 102 -2.528 -13.709 -4.224 1.00 63.31 H new ATOM 0 HB2 PRO A 102 -3.565 -12.873 -6.978 1.00 31.33 H new ATOM 0 HB3 PRO A 102 -2.418 -14.144 -6.603 1.00 31.33 H new ATOM 0 HG2 PRO A 102 -4.907 -14.811 -7.255 1.00 55.33 H new ATOM 0 HG3 PRO A 102 -4.114 -15.667 -5.947 1.00 55.33 H new ATOM 0 HD2 PRO A 102 -6.204 -13.475 -5.777 1.00 24.25 H new ATOM 0 HD3 PRO A 102 -6.055 -14.920 -4.798 1.00 24.25 H new ATOM 1625 N LEU A 103 -1.711 -11.449 -4.067 1.00 22.22 N ATOM 1626 CA LEU A 103 -1.111 -10.113 -3.876 1.00 14.42 C ATOM 1627 C LEU A 103 -0.933 -9.421 -5.241 1.00 23.54 C ATOM 1628 O LEU A 103 -1.313 -8.264 -5.414 1.00 74.14 O ATOM 1629 CB LEU A 103 0.249 -10.265 -3.103 1.00 65.22 C ATOM 1630 CG LEU A 103 0.786 -9.021 -2.308 1.00 74.20 C ATOM 1631 CD1 LEU A 103 1.289 -7.885 -3.220 1.00 50.43 C ATOM 1632 CD2 LEU A 103 -0.277 -8.508 -1.310 1.00 31.13 C ATOM 0 H LEU A 103 -1.183 -12.188 -3.603 1.00 22.22 H new ATOM 0 HA LEU A 103 -1.768 -9.482 -3.278 1.00 14.42 H new ATOM 0 HB2 LEU A 103 0.143 -11.091 -2.400 1.00 65.22 H new ATOM 0 HB3 LEU A 103 1.013 -10.556 -3.824 1.00 65.22 H new ATOM 0 HG LEU A 103 1.656 -9.364 -1.748 1.00 74.20 H new ATOM 0 HD11 LEU A 103 1.646 -7.057 -2.607 1.00 50.43 H new ATOM 0 HD12 LEU A 103 2.104 -8.253 -3.843 1.00 50.43 H new ATOM 0 HD13 LEU A 103 0.473 -7.541 -3.856 1.00 50.43 H new ATOM 0 HD21 LEU A 103 0.116 -7.646 -0.770 1.00 31.13 H new ATOM 0 HD22 LEU A 103 -1.176 -8.216 -1.854 1.00 31.13 H new ATOM 0 HD23 LEU A 103 -0.522 -9.299 -0.601 1.00 31.13 H new ATOM 1644 N VAL A 104 -0.377 -10.175 -6.202 1.00 22.25 N ATOM 1645 CA VAL A 104 -0.217 -9.751 -7.603 1.00 63.41 C ATOM 1646 C VAL A 104 -0.684 -10.901 -8.509 1.00 34.23 C ATOM 1647 O VAL A 104 -0.170 -12.024 -8.419 1.00 22.51 O ATOM 1648 CB VAL A 104 1.269 -9.345 -7.942 1.00 63.11 C ATOM 1649 CG1 VAL A 104 1.453 -9.063 -9.451 1.00 41.32 C ATOM 1650 CG2 VAL A 104 1.712 -8.119 -7.107 1.00 34.41 C ATOM 0 H VAL A 104 -0.019 -11.114 -6.025 1.00 22.25 H new ATOM 0 HA VAL A 104 -0.822 -8.860 -7.771 1.00 63.41 H new ATOM 0 HB VAL A 104 1.903 -10.192 -7.680 1.00 63.11 H new ATOM 0 HG11 VAL A 104 2.489 -8.786 -9.646 1.00 41.32 H new ATOM 0 HG12 VAL A 104 1.203 -9.957 -10.021 1.00 41.32 H new ATOM 0 HG13 VAL A 104 0.797 -8.246 -9.751 1.00 41.32 H new ATOM 0 HG21 VAL A 104 2.740 -7.859 -7.359 1.00 34.41 H new ATOM 0 HG22 VAL A 104 1.060 -7.274 -7.327 1.00 34.41 H new ATOM 0 HG23 VAL A 104 1.649 -8.359 -6.046 1.00 34.41 H new ATOM 1660 N THR A 105 -1.684 -10.610 -9.348 1.00 33.54 N ATOM 1661 CA THR A 105 -2.279 -11.567 -10.282 1.00 70.42 C ATOM 1662 C THR A 105 -1.416 -11.694 -11.562 1.00 44.44 C ATOM 1663 O THR A 105 -0.965 -12.789 -11.906 1.00 74.33 O ATOM 1664 CB THR A 105 -3.744 -11.131 -10.623 1.00 24.22 C ATOM 1665 OG1 THR A 105 -3.759 -9.743 -11.003 1.00 23.02 O ATOM 1666 CG2 THR A 105 -4.704 -11.336 -9.437 1.00 73.25 C ATOM 0 H THR A 105 -2.109 -9.684 -9.396 1.00 33.54 H new ATOM 0 HA THR A 105 -2.312 -12.550 -9.813 1.00 70.42 H new ATOM 0 HB THR A 105 -4.086 -11.759 -11.445 1.00 24.22 H new ATOM 0 HG1 THR A 105 -4.676 -9.472 -11.217 1.00 23.02 H new ATOM 0 HG21 THR A 105 -5.707 -11.019 -9.722 1.00 73.25 H new ATOM 0 HG22 THR A 105 -4.721 -12.390 -9.161 1.00 73.25 H new ATOM 0 HG23 THR A 105 -4.364 -10.744 -8.587 1.00 73.25 H new