USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=19 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 18 THR OG1 : rot 65:sc= 0.785 USER MOD Set 1.2: A 23 SER OG : rot 60:sc= 0.527 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0434 K(o=-0.043,f=-1.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0188 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 171:sc= -3.32 (180deg=-3.84!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A 49 SER OG : rot 74:sc= 0.592 USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.562 USER MOD Single : A 70 SER OG : rot -70:sc= 0.25 USER MOD Single : A 72 THR OG1 : rot 170:sc= -0.129 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= 1.09 (180deg=0.904) USER MOD Single : A 77 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.8!) USER MOD Single : A 83 ASN : amide:sc= 0.569 K(o=0.57,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 81:sc= 0.532 USER MOD Single : A 94 MET CE :methyl -174:sc= -0.565 (180deg=-0.643) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 201 N ILE A 13 0.214 -4.680 11.576 1.00 53.45 N ATOM 202 CA ILE A 13 0.987 -3.935 10.572 1.00 23.14 C ATOM 203 C ILE A 13 1.756 -2.814 11.283 1.00 11.12 C ATOM 204 O ILE A 13 1.147 -1.928 11.895 1.00 65.44 O ATOM 205 CB ILE A 13 0.047 -3.321 9.459 1.00 72.30 C ATOM 206 CG1 ILE A 13 -0.819 -4.433 8.784 1.00 75.32 C ATOM 207 CG2 ILE A 13 0.860 -2.526 8.401 1.00 64.24 C ATOM 208 CD1 ILE A 13 -1.844 -3.931 7.783 1.00 51.53 C ATOM 0 HA ILE A 13 1.678 -4.618 10.078 1.00 23.14 H new ATOM 0 HB ILE A 13 -0.627 -2.618 9.948 1.00 72.30 H new ATOM 0 HG12 ILE A 13 -0.154 -5.134 8.279 1.00 75.32 H new ATOM 0 HG13 ILE A 13 -1.338 -4.991 9.563 1.00 75.32 H new ATOM 0 HG21 ILE A 13 0.181 -2.118 7.652 1.00 64.24 H new ATOM 0 HG22 ILE A 13 1.393 -1.711 8.889 1.00 64.24 H new ATOM 0 HG23 ILE A 13 1.577 -3.190 7.918 1.00 64.24 H new ATOM 0 HD11 ILE A 13 -2.394 -4.777 7.370 1.00 51.53 H new ATOM 0 HD12 ILE A 13 -2.539 -3.255 8.282 1.00 51.53 H new ATOM 0 HD13 ILE A 13 -1.336 -3.400 6.978 1.00 51.53 H new ATOM 220 N GLN A 14 3.086 -2.861 11.191 1.00 70.25 N ATOM 221 CA GLN A 14 3.985 -1.894 11.842 1.00 51.03 C ATOM 222 C GLN A 14 4.372 -0.806 10.821 1.00 45.14 C ATOM 223 O GLN A 14 4.622 -1.108 9.646 1.00 42.12 O ATOM 224 CB GLN A 14 5.239 -2.639 12.397 1.00 31.23 C ATOM 225 CG GLN A 14 5.977 -3.507 11.367 1.00 35.42 C ATOM 226 CD GLN A 14 7.137 -4.336 11.938 1.00 52.00 C ATOM 227 OE1 GLN A 14 6.947 -5.468 12.380 1.00 34.25 O ATOM 228 NE2 GLN A 14 8.346 -3.790 11.930 1.00 21.02 N ATOM 0 H GLN A 14 3.579 -3.577 10.658 1.00 70.25 H new ATOM 0 HA GLN A 14 3.486 -1.413 12.683 1.00 51.03 H new ATOM 0 HB2 GLN A 14 5.935 -1.902 12.797 1.00 31.23 H new ATOM 0 HB3 GLN A 14 4.931 -3.271 13.230 1.00 31.23 H new ATOM 0 HG2 GLN A 14 5.260 -4.183 10.902 1.00 35.42 H new ATOM 0 HG3 GLN A 14 6.364 -2.861 10.579 1.00 35.42 H new ATOM 0 HE21 GLN A 14 8.478 -2.849 11.558 1.00 21.02 H new ATOM 0 HE22 GLN A 14 9.143 -4.311 12.296 1.00 21.02 H new ATOM 237 N THR A 15 4.400 0.458 11.264 1.00 22.31 N ATOM 238 CA THR A 15 4.759 1.591 10.404 1.00 23.31 C ATOM 239 C THR A 15 6.218 1.993 10.654 1.00 1.12 C ATOM 240 O THR A 15 6.674 2.070 11.800 1.00 60.53 O ATOM 241 CB THR A 15 3.805 2.811 10.636 1.00 12.42 C ATOM 242 OG1 THR A 15 3.698 3.107 12.038 1.00 42.13 O ATOM 243 CG2 THR A 15 2.402 2.559 10.055 1.00 23.44 C ATOM 0 H THR A 15 4.176 0.722 12.223 1.00 22.31 H new ATOM 0 HA THR A 15 4.646 1.280 9.365 1.00 23.31 H new ATOM 0 HB THR A 15 4.241 3.664 10.115 1.00 12.42 H new ATOM 0 HG1 THR A 15 3.100 3.873 12.166 1.00 42.13 H new ATOM 0 HG21 THR A 15 1.771 3.429 10.237 1.00 23.44 H new ATOM 0 HG22 THR A 15 2.479 2.384 8.982 1.00 23.44 H new ATOM 0 HG23 THR A 15 1.961 1.685 10.534 1.00 23.44 H new ATOM 251 N GLN A 16 6.935 2.201 9.554 1.00 64.53 N ATOM 252 CA GLN A 16 8.335 2.612 9.527 1.00 71.31 C ATOM 253 C GLN A 16 8.422 3.880 8.677 1.00 43.44 C ATOM 254 O GLN A 16 7.948 3.887 7.531 1.00 4.05 O ATOM 255 CB GLN A 16 9.207 1.495 8.893 1.00 24.53 C ATOM 256 CG GLN A 16 10.689 1.877 8.705 1.00 73.33 C ATOM 257 CD GLN A 16 11.487 0.852 7.900 1.00 12.33 C ATOM 258 OE1 GLN A 16 11.213 -0.348 7.935 1.00 22.12 O ATOM 259 NE2 GLN A 16 12.480 1.319 7.163 1.00 50.24 N ATOM 0 H GLN A 16 6.541 2.083 8.620 1.00 64.53 H new ATOM 0 HA GLN A 16 8.699 2.796 10.538 1.00 71.31 H new ATOM 0 HB2 GLN A 16 9.150 0.606 9.520 1.00 24.53 H new ATOM 0 HB3 GLN A 16 8.787 1.229 7.923 1.00 24.53 H new ATOM 0 HG2 GLN A 16 10.746 2.844 8.205 1.00 73.33 H new ATOM 0 HG3 GLN A 16 11.152 1.997 9.685 1.00 73.33 H new ATOM 0 HE21 GLN A 16 12.683 2.319 7.155 1.00 50.24 H new ATOM 0 HE22 GLN A 16 13.044 0.680 6.603 1.00 50.24 H new ATOM 268 N ASP A 17 9.015 4.941 9.231 1.00 71.23 N ATOM 269 CA ASP A 17 9.228 6.191 8.493 1.00 71.32 C ATOM 270 C ASP A 17 10.361 6.020 7.473 1.00 53.44 C ATOM 271 O ASP A 17 11.211 5.121 7.596 1.00 51.04 O ATOM 272 CB ASP A 17 9.513 7.375 9.456 1.00 74.22 C ATOM 273 CG ASP A 17 10.864 7.254 10.181 1.00 3.12 C ATOM 274 OD1 ASP A 17 10.945 6.511 11.175 1.00 1.40 O ATOM 275 OD2 ASP A 17 11.844 7.893 9.755 1.00 75.32 O ATOM 0 H ASP A 17 9.358 4.960 10.192 1.00 71.23 H new ATOM 0 HA ASP A 17 8.312 6.428 7.952 1.00 71.32 H new ATOM 0 HB2 ASP A 17 9.493 8.307 8.891 1.00 74.22 H new ATOM 0 HB3 ASP A 17 8.715 7.433 10.196 1.00 74.22 H new ATOM 280 N THR A 18 10.358 6.901 6.483 1.00 54.24 N ATOM 281 CA THR A 18 11.282 6.880 5.347 1.00 11.11 C ATOM 282 C THR A 18 11.865 8.313 5.161 1.00 15.21 C ATOM 283 O THR A 18 11.271 9.271 5.686 1.00 72.24 O ATOM 284 CB THR A 18 10.533 6.380 4.048 1.00 24.14 C ATOM 285 OG1 THR A 18 9.406 7.208 3.781 1.00 33.13 O ATOM 286 CG2 THR A 18 10.062 4.912 4.138 1.00 43.14 C ATOM 0 H THR A 18 9.695 7.675 6.442 1.00 54.24 H new ATOM 0 HA THR A 18 12.102 6.187 5.533 1.00 11.11 H new ATOM 0 HB THR A 18 11.261 6.442 3.239 1.00 24.14 H new ATOM 0 HG1 THR A 18 9.709 8.116 3.573 1.00 33.13 H new ATOM 0 HG21 THR A 18 9.556 4.635 3.213 1.00 43.14 H new ATOM 0 HG22 THR A 18 10.924 4.262 4.289 1.00 43.14 H new ATOM 0 HG23 THR A 18 9.373 4.802 4.975 1.00 43.14 H new ATOM 294 N PRO A 19 13.033 8.494 4.449 1.00 51.24 N ATOM 295 CA PRO A 19 13.665 9.833 4.225 1.00 34.43 C ATOM 296 C PRO A 19 12.689 10.901 3.671 1.00 74.23 C ATOM 297 O PRO A 19 12.852 12.098 3.942 1.00 44.22 O ATOM 298 CB PRO A 19 14.822 9.530 3.227 1.00 35.24 C ATOM 299 CG PRO A 19 14.555 8.143 2.715 1.00 43.32 C ATOM 300 CD PRO A 19 13.870 7.425 3.850 1.00 3.01 C ATOM 0 HA PRO A 19 14.006 10.274 5.162 1.00 34.43 H new ATOM 0 HB2 PRO A 19 14.837 10.253 2.412 1.00 35.24 H new ATOM 0 HB3 PRO A 19 15.792 9.586 3.721 1.00 35.24 H new ATOM 0 HG2 PRO A 19 13.924 8.166 1.827 1.00 43.32 H new ATOM 0 HG3 PRO A 19 15.482 7.642 2.435 1.00 43.32 H new ATOM 0 HD2 PRO A 19 13.267 6.589 3.496 1.00 3.01 H new ATOM 0 HD3 PRO A 19 14.586 7.022 4.566 1.00 3.01 H new ATOM 308 N ASN A 20 11.679 10.448 2.903 1.00 10.55 N ATOM 309 CA ASN A 20 10.589 11.303 2.390 1.00 64.44 C ATOM 310 C ASN A 20 9.309 11.039 3.223 1.00 23.35 C ATOM 311 O ASN A 20 8.779 9.928 3.169 1.00 10.25 O ATOM 312 CB ASN A 20 10.329 11.004 0.886 1.00 62.44 C ATOM 313 CG ASN A 20 11.576 11.227 0.014 1.00 73.45 C ATOM 314 OD1 ASN A 20 12.406 10.332 -0.142 1.00 14.53 O ATOM 315 ND2 ASN A 20 11.729 12.412 -0.559 1.00 32.43 N ATOM 0 H ASN A 20 11.595 9.472 2.619 1.00 10.55 H new ATOM 0 HA ASN A 20 10.873 12.351 2.482 1.00 64.44 H new ATOM 0 HB2 ASN A 20 9.994 9.972 0.777 1.00 62.44 H new ATOM 0 HB3 ASN A 20 9.521 11.641 0.527 1.00 62.44 H new ATOM 0 HD21 ASN A 20 12.546 12.595 -1.142 1.00 32.43 H new ATOM 0 HD22 ASN A 20 11.030 13.141 -0.418 1.00 32.43 H new ATOM 322 N PRO A 21 8.797 12.037 4.027 1.00 4.04 N ATOM 323 CA PRO A 21 7.533 11.886 4.822 1.00 21.53 C ATOM 324 C PRO A 21 6.270 11.765 3.943 1.00 50.33 C ATOM 325 O PRO A 21 5.170 11.467 4.445 1.00 13.30 O ATOM 326 CB PRO A 21 7.500 13.170 5.690 1.00 5.24 C ATOM 327 CG PRO A 21 8.334 14.163 4.939 1.00 71.13 C ATOM 328 CD PRO A 21 9.422 13.364 4.262 1.00 2.02 C ATOM 0 HA PRO A 21 7.530 10.965 5.406 1.00 21.53 H new ATOM 0 HB2 PRO A 21 6.480 13.531 5.823 1.00 5.24 H new ATOM 0 HB3 PRO A 21 7.905 12.985 6.685 1.00 5.24 H new ATOM 0 HG2 PRO A 21 7.733 14.703 4.207 1.00 71.13 H new ATOM 0 HG3 PRO A 21 8.758 14.906 5.614 1.00 71.13 H new ATOM 0 HD2 PRO A 21 9.736 13.829 3.327 1.00 2.02 H new ATOM 0 HD3 PRO A 21 10.308 13.282 4.891 1.00 2.02 H new ATOM 336 N ASN A 22 6.438 12.014 2.632 1.00 45.35 N ATOM 337 CA ASN A 22 5.390 11.821 1.614 1.00 52.10 C ATOM 338 C ASN A 22 5.102 10.326 1.396 1.00 64.20 C ATOM 339 O ASN A 22 4.049 9.964 0.886 1.00 20.42 O ATOM 340 CB ASN A 22 5.808 12.487 0.277 1.00 12.41 C ATOM 341 CG ASN A 22 5.900 14.018 0.346 1.00 42.32 C ATOM 342 OD1 ASN A 22 6.167 14.605 1.396 1.00 50.54 O ATOM 343 ND2 ASN A 22 5.693 14.673 -0.787 1.00 34.41 N ATOM 0 H ASN A 22 7.316 12.359 2.245 1.00 45.35 H new ATOM 0 HA ASN A 22 4.477 12.295 1.974 1.00 52.10 H new ATOM 0 HB2 ASN A 22 6.775 12.088 -0.029 1.00 12.41 H new ATOM 0 HB3 ASN A 22 5.090 12.210 -0.495 1.00 12.41 H new ATOM 0 HD21 ASN A 22 5.753 15.691 -0.806 1.00 34.41 H new ATOM 0 HD22 ASN A 22 5.474 14.159 -1.640 1.00 34.41 H new ATOM 350 N SER A 23 6.052 9.473 1.786 1.00 31.25 N ATOM 351 CA SER A 23 5.911 8.010 1.737 1.00 61.11 C ATOM 352 C SER A 23 6.028 7.442 3.162 1.00 12.14 C ATOM 353 O SER A 23 6.786 7.962 3.968 1.00 13.41 O ATOM 354 CB SER A 23 6.983 7.409 0.789 1.00 33.35 C ATOM 355 OG SER A 23 8.296 7.856 1.114 1.00 20.43 O ATOM 0 H SER A 23 6.954 9.780 2.150 1.00 31.25 H new ATOM 0 HA SER A 23 4.932 7.739 1.341 1.00 61.11 H new ATOM 0 HB2 SER A 23 6.947 6.321 0.845 1.00 33.35 H new ATOM 0 HB3 SER A 23 6.751 7.683 -0.240 1.00 33.35 H new ATOM 0 HG SER A 23 8.517 7.583 2.029 1.00 20.43 H new ATOM 361 N LEU A 24 5.224 6.419 3.478 1.00 70.35 N ATOM 362 CA LEU A 24 5.301 5.693 4.762 1.00 53.42 C ATOM 363 C LEU A 24 5.271 4.199 4.462 1.00 12.13 C ATOM 364 O LEU A 24 4.463 3.750 3.643 1.00 22.52 O ATOM 365 CB LEU A 24 4.119 6.088 5.693 1.00 34.51 C ATOM 366 CG LEU A 24 4.111 5.461 7.129 1.00 30.31 C ATOM 367 CD1 LEU A 24 5.357 5.863 7.937 1.00 11.43 C ATOM 368 CD2 LEU A 24 2.812 5.826 7.879 1.00 51.24 C ATOM 0 H LEU A 24 4.499 6.067 2.853 1.00 70.35 H new ATOM 0 HA LEU A 24 6.224 5.953 5.281 1.00 53.42 H new ATOM 0 HB2 LEU A 24 4.116 7.173 5.796 1.00 34.51 H new ATOM 0 HB3 LEU A 24 3.189 5.812 5.197 1.00 34.51 H new ATOM 0 HG LEU A 24 4.143 4.377 7.015 1.00 30.31 H new ATOM 0 HD11 LEU A 24 5.312 5.407 8.926 1.00 11.43 H new ATOM 0 HD12 LEU A 24 6.253 5.519 7.420 1.00 11.43 H new ATOM 0 HD13 LEU A 24 5.390 6.948 8.039 1.00 11.43 H new ATOM 0 HD21 LEU A 24 2.828 5.380 8.873 1.00 51.24 H new ATOM 0 HD22 LEU A 24 2.736 6.910 7.969 1.00 51.24 H new ATOM 0 HD23 LEU A 24 1.953 5.446 7.325 1.00 51.24 H new ATOM 380 N LYS A 25 6.156 3.439 5.111 1.00 41.52 N ATOM 381 CA LYS A 25 6.294 2.000 4.880 1.00 62.31 C ATOM 382 C LYS A 25 5.456 1.215 5.911 1.00 12.20 C ATOM 383 O LYS A 25 5.619 1.382 7.113 1.00 42.10 O ATOM 384 CB LYS A 25 7.797 1.616 4.948 1.00 14.22 C ATOM 385 CG LYS A 25 8.082 0.119 4.689 1.00 22.45 C ATOM 386 CD LYS A 25 9.590 -0.196 4.549 1.00 64.54 C ATOM 387 CE LYS A 25 10.207 0.454 3.302 1.00 42.33 C ATOM 388 NZ LYS A 25 11.636 0.080 3.125 1.00 30.15 N ATOM 0 H LYS A 25 6.799 3.806 5.813 1.00 41.52 H new ATOM 0 HA LYS A 25 5.918 1.742 3.890 1.00 62.31 H new ATOM 0 HB2 LYS A 25 8.345 2.210 4.217 1.00 14.22 H new ATOM 0 HB3 LYS A 25 8.184 1.883 5.931 1.00 14.22 H new ATOM 0 HG2 LYS A 25 7.668 -0.470 5.507 1.00 22.45 H new ATOM 0 HG3 LYS A 25 7.566 -0.191 3.780 1.00 22.45 H new ATOM 0 HD2 LYS A 25 10.116 0.154 5.437 1.00 64.54 H new ATOM 0 HD3 LYS A 25 9.731 -1.276 4.501 1.00 64.54 H new ATOM 0 HE2 LYS A 25 9.642 0.153 2.420 1.00 42.33 H new ATOM 0 HE3 LYS A 25 10.123 1.538 3.380 1.00 42.33 H new ATOM 0 HZ1 LYS A 25 12.012 0.541 2.272 1.00 30.15 H new ATOM 0 HZ2 LYS A 25 12.181 0.390 3.955 1.00 30.15 H new ATOM 0 HZ3 LYS A 25 11.715 -0.952 3.024 1.00 30.15 H new ATOM 402 N PHE A 26 4.554 0.376 5.408 1.00 42.14 N ATOM 403 CA PHE A 26 3.643 -0.467 6.205 1.00 41.42 C ATOM 404 C PHE A 26 4.068 -1.936 6.048 1.00 53.45 C ATOM 405 O PHE A 26 3.809 -2.542 5.006 1.00 34.54 O ATOM 406 CB PHE A 26 2.178 -0.294 5.687 1.00 4.53 C ATOM 407 CG PHE A 26 1.623 1.132 5.771 1.00 55.34 C ATOM 408 CD1 PHE A 26 1.848 2.060 4.747 1.00 5.42 C ATOM 409 CD2 PHE A 26 0.875 1.545 6.874 1.00 64.24 C ATOM 410 CE1 PHE A 26 1.341 3.345 4.829 1.00 4.12 C ATOM 411 CE2 PHE A 26 0.369 2.830 6.951 1.00 31.11 C ATOM 412 CZ PHE A 26 0.604 3.729 5.931 1.00 52.32 C ATOM 0 H PHE A 26 4.427 0.254 4.403 1.00 42.14 H new ATOM 0 HA PHE A 26 3.689 -0.173 7.253 1.00 41.42 H new ATOM 0 HB2 PHE A 26 2.135 -0.623 4.649 1.00 4.53 H new ATOM 0 HB3 PHE A 26 1.527 -0.955 6.259 1.00 4.53 H new ATOM 0 HD1 PHE A 26 2.425 1.769 3.882 1.00 5.42 H new ATOM 0 HD2 PHE A 26 0.688 0.851 7.680 1.00 64.24 H new ATOM 0 HE1 PHE A 26 1.522 4.048 4.030 1.00 4.12 H new ATOM 0 HE2 PHE A 26 -0.211 3.130 7.811 1.00 31.11 H new ATOM 0 HZ PHE A 26 0.211 4.733 5.995 1.00 52.32 H new ATOM 422 N ILE A 27 4.754 -2.494 7.053 1.00 55.32 N ATOM 423 CA ILE A 27 5.161 -3.909 7.039 1.00 74.23 C ATOM 424 C ILE A 27 3.969 -4.747 7.583 1.00 51.41 C ATOM 425 O ILE A 27 3.661 -4.646 8.775 1.00 60.40 O ATOM 426 CB ILE A 27 6.464 -4.186 7.906 1.00 0.54 C ATOM 427 CG1 ILE A 27 7.721 -3.379 7.403 1.00 32.00 C ATOM 428 CG2 ILE A 27 6.780 -5.706 7.999 1.00 73.32 C ATOM 429 CD1 ILE A 27 7.744 -1.894 7.786 1.00 2.13 C ATOM 0 H ILE A 27 5.041 -1.987 7.890 1.00 55.32 H new ATOM 0 HA ILE A 27 5.413 -4.189 6.016 1.00 74.23 H new ATOM 0 HB ILE A 27 6.239 -3.823 8.909 1.00 0.54 H new ATOM 0 HG12 ILE A 27 8.619 -3.853 7.799 1.00 32.00 H new ATOM 0 HG13 ILE A 27 7.772 -3.458 6.317 1.00 32.00 H new ATOM 0 HG21 ILE A 27 7.677 -5.855 8.599 1.00 73.32 H new ATOM 0 HG22 ILE A 27 5.942 -6.224 8.465 1.00 73.32 H new ATOM 0 HG23 ILE A 27 6.943 -6.106 6.998 1.00 73.32 H new ATOM 0 HD11 ILE A 27 8.649 -1.431 7.393 1.00 2.13 H new ATOM 0 HD12 ILE A 27 6.870 -1.396 7.366 1.00 2.13 H new ATOM 0 HD13 ILE A 27 7.730 -1.798 8.872 1.00 2.13 H new ATOM 441 N PRO A 28 3.276 -5.571 6.732 1.00 5.20 N ATOM 442 CA PRO A 28 2.093 -6.359 7.167 1.00 31.33 C ATOM 443 C PRO A 28 2.467 -7.665 7.891 1.00 20.13 C ATOM 444 O PRO A 28 1.590 -8.443 8.284 1.00 25.42 O ATOM 445 CB PRO A 28 1.372 -6.624 5.828 1.00 45.41 C ATOM 446 CG PRO A 28 2.479 -6.757 4.826 1.00 13.34 C ATOM 447 CD PRO A 28 3.575 -5.808 5.282 1.00 31.43 C ATOM 0 HA PRO A 28 1.483 -5.836 7.903 1.00 31.33 H new ATOM 0 HB2 PRO A 28 0.768 -7.530 5.875 1.00 45.41 H new ATOM 0 HB3 PRO A 28 0.700 -5.806 5.570 1.00 45.41 H new ATOM 0 HG2 PRO A 28 2.845 -7.783 4.783 1.00 13.34 H new ATOM 0 HG3 PRO A 28 2.132 -6.500 3.825 1.00 13.34 H new ATOM 0 HD2 PRO A 28 4.564 -6.246 5.146 1.00 31.43 H new ATOM 0 HD3 PRO A 28 3.558 -4.878 4.714 1.00 31.43 H new ATOM 455 N GLY A 29 3.784 -7.895 8.062 1.00 74.44 N ATOM 456 CA GLY A 29 4.307 -9.110 8.676 1.00 40.22 C ATOM 457 C GLY A 29 4.691 -10.144 7.630 1.00 61.42 C ATOM 458 O GLY A 29 5.812 -10.665 7.644 1.00 42.30 O ATOM 0 H GLY A 29 4.508 -7.236 7.774 1.00 74.44 H new ATOM 0 HA2 GLY A 29 5.178 -8.865 9.284 1.00 40.22 H new ATOM 0 HA3 GLY A 29 3.558 -9.531 9.347 1.00 40.22 H new ATOM 462 N LYS A 30 3.753 -10.442 6.716 1.00 74.44 N ATOM 463 CA LYS A 30 3.977 -11.387 5.606 1.00 25.40 C ATOM 464 C LYS A 30 4.786 -10.717 4.462 1.00 43.41 C ATOM 465 O LYS A 30 4.562 -9.534 4.159 1.00 63.23 O ATOM 466 CB LYS A 30 2.622 -11.923 5.055 1.00 55.12 C ATOM 467 CG LYS A 30 1.839 -12.816 6.046 1.00 64.22 C ATOM 468 CD LYS A 30 0.563 -13.428 5.423 1.00 72.42 C ATOM 469 CE LYS A 30 0.860 -14.316 4.208 1.00 3.52 C ATOM 470 NZ LYS A 30 -0.386 -14.891 3.636 1.00 43.43 N ATOM 0 H LYS A 30 2.818 -10.035 6.725 1.00 74.44 H new ATOM 0 HA LYS A 30 4.554 -12.226 5.995 1.00 25.40 H new ATOM 0 HB2 LYS A 30 1.996 -11.075 4.776 1.00 55.12 H new ATOM 0 HB3 LYS A 30 2.813 -12.492 4.145 1.00 55.12 H new ATOM 0 HG2 LYS A 30 2.488 -13.619 6.395 1.00 64.22 H new ATOM 0 HG3 LYS A 30 1.564 -12.226 6.920 1.00 64.22 H new ATOM 0 HD2 LYS A 30 0.042 -14.016 6.178 1.00 72.42 H new ATOM 0 HD3 LYS A 30 -0.111 -12.625 5.124 1.00 72.42 H new ATOM 0 HE2 LYS A 30 1.375 -13.731 3.446 1.00 3.52 H new ATOM 0 HE3 LYS A 30 1.533 -15.122 4.501 1.00 3.52 H new ATOM 0 HZ1 LYS A 30 -0.149 -15.486 2.816 1.00 43.43 H new ATOM 0 HZ2 LYS A 30 -0.864 -15.469 4.356 1.00 43.43 H new ATOM 0 HZ3 LYS A 30 -1.017 -14.121 3.334 1.00 43.43 H new ATOM 484 N PRO A 31 5.763 -11.455 3.833 1.00 4.23 N ATOM 485 CA PRO A 31 6.454 -10.990 2.608 1.00 53.14 C ATOM 486 C PRO A 31 5.483 -10.914 1.411 1.00 4.43 C ATOM 487 O PRO A 31 5.124 -11.941 0.817 1.00 12.15 O ATOM 488 CB PRO A 31 7.579 -12.042 2.403 1.00 45.13 C ATOM 489 CG PRO A 31 7.092 -13.271 3.107 1.00 64.33 C ATOM 490 CD PRO A 31 6.299 -12.770 4.291 1.00 64.14 C ATOM 0 HA PRO A 31 6.853 -9.979 2.695 1.00 53.14 H new ATOM 0 HB2 PRO A 31 7.751 -12.235 1.344 1.00 45.13 H new ATOM 0 HB3 PRO A 31 8.524 -11.696 2.821 1.00 45.13 H new ATOM 0 HG2 PRO A 31 6.472 -13.881 2.449 1.00 64.33 H new ATOM 0 HG3 PRO A 31 7.926 -13.895 3.429 1.00 64.33 H new ATOM 0 HD2 PRO A 31 5.496 -13.459 4.555 1.00 64.14 H new ATOM 0 HD3 PRO A 31 6.927 -12.659 5.175 1.00 64.14 H new ATOM 498 N VAL A 32 4.994 -9.687 1.122 1.00 74.50 N ATOM 499 CA VAL A 32 4.080 -9.442 -0.012 1.00 52.33 C ATOM 500 C VAL A 32 4.801 -9.664 -1.359 1.00 64.54 C ATOM 501 O VAL A 32 4.270 -10.350 -2.236 1.00 3.12 O ATOM 502 CB VAL A 32 3.399 -8.018 0.062 1.00 43.21 C ATOM 503 CG1 VAL A 32 2.427 -7.938 1.266 1.00 44.21 C ATOM 504 CG2 VAL A 32 4.443 -6.878 0.098 1.00 50.04 C ATOM 0 H VAL A 32 5.219 -8.851 1.661 1.00 74.50 H new ATOM 0 HA VAL A 32 3.273 -10.171 0.059 1.00 52.33 H new ATOM 0 HB VAL A 32 2.819 -7.882 -0.851 1.00 43.21 H new ATOM 0 HG11 VAL A 32 1.969 -6.950 1.299 1.00 44.21 H new ATOM 0 HG12 VAL A 32 1.650 -8.695 1.157 1.00 44.21 H new ATOM 0 HG13 VAL A 32 2.977 -8.113 2.190 1.00 44.21 H new ATOM 0 HG21 VAL A 32 3.931 -5.917 0.149 1.00 50.04 H new ATOM 0 HG22 VAL A 32 5.081 -6.996 0.974 1.00 50.04 H new ATOM 0 HG23 VAL A 32 5.055 -6.916 -0.803 1.00 50.04 H new ATOM 514 N LEU A 33 6.036 -9.122 -1.488 1.00 52.02 N ATOM 515 CA LEU A 33 6.918 -9.351 -2.653 1.00 2.20 C ATOM 516 C LEU A 33 8.375 -9.556 -2.192 1.00 42.24 C ATOM 517 O LEU A 33 9.189 -8.638 -2.263 1.00 50.11 O ATOM 518 CB LEU A 33 6.844 -8.180 -3.686 1.00 54.33 C ATOM 519 CG LEU A 33 5.525 -8.014 -4.498 1.00 54.23 C ATOM 520 CD1 LEU A 33 5.684 -6.924 -5.577 1.00 61.42 C ATOM 521 CD2 LEU A 33 5.069 -9.349 -5.121 1.00 62.02 C ATOM 0 H LEU A 33 6.448 -8.511 -0.783 1.00 52.02 H new ATOM 0 HA LEU A 33 6.565 -10.254 -3.152 1.00 2.20 H new ATOM 0 HB2 LEU A 33 7.028 -7.248 -3.151 1.00 54.33 H new ATOM 0 HB3 LEU A 33 7.661 -8.307 -4.396 1.00 54.33 H new ATOM 0 HG LEU A 33 4.746 -7.698 -3.804 1.00 54.23 H new ATOM 0 HD11 LEU A 33 4.752 -6.824 -6.133 1.00 61.42 H new ATOM 0 HD12 LEU A 33 5.927 -5.974 -5.101 1.00 61.42 H new ATOM 0 HD13 LEU A 33 6.486 -7.203 -6.261 1.00 61.42 H new ATOM 0 HD21 LEU A 33 4.146 -9.193 -5.679 1.00 62.02 H new ATOM 0 HD22 LEU A 33 5.842 -9.719 -5.794 1.00 62.02 H new ATOM 0 HD23 LEU A 33 4.896 -10.079 -4.330 1.00 62.02 H new ATOM 533 N GLU A 34 8.687 -10.759 -1.679 1.00 53.43 N ATOM 534 CA GLU A 34 10.078 -11.156 -1.356 1.00 50.02 C ATOM 535 C GLU A 34 10.872 -11.442 -2.651 1.00 62.24 C ATOM 536 O GLU A 34 12.093 -11.241 -2.714 1.00 11.50 O ATOM 537 CB GLU A 34 10.091 -12.408 -0.437 1.00 5.42 C ATOM 538 CG GLU A 34 9.368 -13.651 -1.010 1.00 42.11 C ATOM 539 CD GLU A 34 9.516 -14.903 -0.134 1.00 65.54 C ATOM 540 OE1 GLU A 34 10.486 -15.661 -0.331 1.00 31.30 O ATOM 541 OE2 GLU A 34 8.667 -15.135 0.752 1.00 2.23 O ATOM 0 H GLU A 34 7.994 -11.480 -1.477 1.00 53.43 H new ATOM 0 HA GLU A 34 10.553 -10.330 -0.826 1.00 50.02 H new ATOM 0 HB2 GLU A 34 11.127 -12.674 -0.227 1.00 5.42 H new ATOM 0 HB3 GLU A 34 9.630 -12.145 0.515 1.00 5.42 H new ATOM 0 HG2 GLU A 34 8.309 -13.423 -1.128 1.00 42.11 H new ATOM 0 HG3 GLU A 34 9.761 -13.864 -2.004 1.00 42.11 H new ATOM 548 N THR A 35 10.137 -11.895 -3.680 1.00 33.11 N ATOM 549 CA THR A 35 10.685 -12.354 -4.964 1.00 42.44 C ATOM 550 C THR A 35 11.030 -11.186 -5.909 1.00 71.43 C ATOM 551 O THR A 35 11.897 -11.327 -6.778 1.00 51.25 O ATOM 552 CB THR A 35 9.657 -13.299 -5.670 1.00 13.00 C ATOM 553 OG1 THR A 35 8.400 -12.619 -5.840 1.00 64.44 O ATOM 554 CG2 THR A 35 9.426 -14.601 -4.879 1.00 41.24 C ATOM 0 H THR A 35 9.119 -11.953 -3.639 1.00 33.11 H new ATOM 0 HA THR A 35 11.609 -12.889 -4.746 1.00 42.44 H new ATOM 0 HB THR A 35 10.077 -13.564 -6.640 1.00 13.00 H new ATOM 0 HG1 THR A 35 7.762 -13.216 -6.284 1.00 64.44 H new ATOM 0 HG21 THR A 35 8.705 -15.225 -5.408 1.00 41.24 H new ATOM 0 HG22 THR A 35 10.369 -15.139 -4.781 1.00 41.24 H new ATOM 0 HG23 THR A 35 9.040 -14.361 -3.888 1.00 41.24 H new ATOM 562 N ARG A 36 10.365 -10.032 -5.712 1.00 33.14 N ATOM 563 CA ARG A 36 10.375 -8.918 -6.686 1.00 11.54 C ATOM 564 C ARG A 36 9.953 -7.586 -6.025 1.00 42.43 C ATOM 565 O ARG A 36 9.838 -7.497 -4.802 1.00 62.22 O ATOM 566 CB ARG A 36 9.405 -9.277 -7.853 1.00 12.32 C ATOM 567 CG ARG A 36 7.957 -9.544 -7.389 1.00 62.44 C ATOM 568 CD ARG A 36 7.045 -10.121 -8.475 1.00 24.23 C ATOM 569 NE ARG A 36 6.762 -9.181 -9.571 1.00 22.54 N ATOM 570 CZ ARG A 36 5.844 -9.388 -10.532 1.00 32.52 C ATOM 571 NH1 ARG A 36 5.113 -10.504 -10.544 1.00 51.11 N ATOM 572 NH2 ARG A 36 5.666 -8.482 -11.491 1.00 0.41 N ATOM 0 H ARG A 36 9.808 -9.844 -4.879 1.00 33.14 H new ATOM 0 HA ARG A 36 11.388 -8.782 -7.065 1.00 11.54 H new ATOM 0 HB2 ARG A 36 9.402 -8.462 -8.576 1.00 12.32 H new ATOM 0 HB3 ARG A 36 9.781 -10.160 -8.369 1.00 12.32 H new ATOM 0 HG2 ARG A 36 7.979 -10.234 -6.545 1.00 62.44 H new ATOM 0 HG3 ARG A 36 7.526 -8.611 -7.027 1.00 62.44 H new ATOM 0 HD2 ARG A 36 7.508 -11.017 -8.888 1.00 24.23 H new ATOM 0 HD3 ARG A 36 6.104 -10.429 -8.020 1.00 24.23 H new ATOM 0 HE ARG A 36 7.298 -8.314 -9.604 1.00 22.54 H new ATOM 0 HH11 ARG A 36 5.248 -11.210 -9.820 1.00 51.11 H new ATOM 0 HH12 ARG A 36 4.419 -10.651 -11.277 1.00 51.11 H new ATOM 0 HH21 ARG A 36 6.226 -7.630 -11.498 1.00 0.41 H new ATOM 0 HH22 ARG A 36 4.970 -8.640 -12.219 1.00 0.41 H new ATOM 586 N THR A 37 9.770 -6.547 -6.859 1.00 10.53 N ATOM 587 CA THR A 37 9.165 -5.257 -6.470 1.00 20.00 C ATOM 588 C THR A 37 8.181 -4.808 -7.573 1.00 13.25 C ATOM 589 O THR A 37 8.348 -5.179 -8.745 1.00 63.02 O ATOM 590 CB THR A 37 10.252 -4.143 -6.258 1.00 65.11 C ATOM 591 OG1 THR A 37 11.128 -4.090 -7.396 1.00 73.21 O ATOM 592 CG2 THR A 37 11.090 -4.363 -4.985 1.00 13.22 C ATOM 0 H THR A 37 10.043 -6.579 -7.841 1.00 10.53 H new ATOM 0 HA THR A 37 8.643 -5.399 -5.524 1.00 20.00 H new ATOM 0 HB THR A 37 9.718 -3.200 -6.142 1.00 65.11 H new ATOM 0 HG1 THR A 37 11.802 -3.392 -7.258 1.00 73.21 H new ATOM 0 HG21 THR A 37 11.824 -3.563 -4.890 1.00 13.22 H new ATOM 0 HG22 THR A 37 10.435 -4.360 -4.113 1.00 13.22 H new ATOM 0 HG23 THR A 37 11.604 -5.322 -5.049 1.00 13.22 H new ATOM 600 N MET A 38 7.156 -4.025 -7.183 1.00 61.12 N ATOM 601 CA MET A 38 6.177 -3.408 -8.108 1.00 54.33 C ATOM 602 C MET A 38 5.810 -2.008 -7.571 1.00 34.55 C ATOM 603 O MET A 38 5.556 -1.851 -6.378 1.00 32.52 O ATOM 604 CB MET A 38 4.875 -4.262 -8.270 1.00 60.12 C ATOM 605 CG MET A 38 5.030 -5.600 -9.008 1.00 53.24 C ATOM 606 SD MET A 38 3.444 -6.362 -9.443 1.00 61.34 S ATOM 607 CE MET A 38 2.616 -6.490 -7.857 1.00 74.14 C ATOM 0 H MET A 38 6.980 -3.799 -6.204 1.00 61.12 H new ATOM 0 HA MET A 38 6.640 -3.346 -9.093 1.00 54.33 H new ATOM 0 HB2 MET A 38 4.471 -4.463 -7.278 1.00 60.12 H new ATOM 0 HB3 MET A 38 4.135 -3.662 -8.800 1.00 60.12 H new ATOM 0 HG2 MET A 38 5.611 -5.441 -9.916 1.00 53.24 H new ATOM 0 HG3 MET A 38 5.598 -6.289 -8.383 1.00 53.24 H new ATOM 0 HE1 MET A 38 1.580 -6.791 -8.011 1.00 74.14 H new ATOM 0 HE2 MET A 38 3.122 -7.233 -7.241 1.00 74.14 H new ATOM 0 HE3 MET A 38 2.642 -5.523 -7.354 1.00 74.14 H new ATOM 617 N ASP A 39 5.778 -1.017 -8.469 1.00 12.44 N ATOM 618 CA ASP A 39 5.419 0.381 -8.145 1.00 12.05 C ATOM 619 C ASP A 39 4.303 0.830 -9.097 1.00 35.42 C ATOM 620 O ASP A 39 4.315 0.504 -10.297 1.00 51.54 O ATOM 621 CB ASP A 39 6.662 1.312 -8.238 1.00 13.24 C ATOM 622 CG ASP A 39 7.292 1.354 -9.639 1.00 75.22 C ATOM 623 OD1 ASP A 39 7.929 0.354 -10.043 1.00 62.10 O ATOM 624 OD2 ASP A 39 7.133 2.366 -10.355 1.00 55.05 O ATOM 0 H ASP A 39 6.002 -1.158 -9.454 1.00 12.44 H new ATOM 0 HA ASP A 39 5.060 0.443 -7.118 1.00 12.05 H new ATOM 0 HB2 ASP A 39 6.372 2.322 -7.948 1.00 13.24 H new ATOM 0 HB3 ASP A 39 7.412 0.977 -7.521 1.00 13.24 H new ATOM 629 N PHE A 40 3.325 1.547 -8.535 1.00 24.41 N ATOM 630 CA PHE A 40 2.098 1.959 -9.229 1.00 30.31 C ATOM 631 C PHE A 40 1.942 3.478 -9.077 1.00 74.43 C ATOM 632 O PHE A 40 1.465 3.936 -8.036 1.00 3.15 O ATOM 633 CB PHE A 40 0.866 1.212 -8.637 1.00 61.44 C ATOM 634 CG PHE A 40 1.079 -0.289 -8.473 1.00 43.35 C ATOM 635 CD1 PHE A 40 1.117 -1.127 -9.578 1.00 44.22 C ATOM 636 CD2 PHE A 40 1.267 -0.857 -7.214 1.00 14.43 C ATOM 637 CE1 PHE A 40 1.323 -2.481 -9.435 1.00 44.44 C ATOM 638 CE2 PHE A 40 1.476 -2.208 -7.072 1.00 34.11 C ATOM 639 CZ PHE A 40 1.501 -3.020 -8.183 1.00 31.43 C ATOM 0 H PHE A 40 3.363 1.864 -7.566 1.00 24.41 H new ATOM 0 HA PHE A 40 2.161 1.704 -10.287 1.00 30.31 H new ATOM 0 HB2 PHE A 40 0.623 1.644 -7.666 1.00 61.44 H new ATOM 0 HB3 PHE A 40 0.005 1.379 -9.285 1.00 61.44 H new ATOM 0 HD1 PHE A 40 0.983 -0.711 -10.566 1.00 44.22 H new ATOM 0 HD2 PHE A 40 1.248 -0.226 -6.337 1.00 14.43 H new ATOM 0 HE1 PHE A 40 1.345 -3.119 -10.306 1.00 44.44 H new ATOM 0 HE2 PHE A 40 1.621 -2.632 -6.089 1.00 34.11 H new ATOM 0 HZ PHE A 40 1.661 -4.082 -8.071 1.00 31.43 H new ATOM 649 N PRO A 41 2.412 4.285 -10.074 1.00 31.45 N ATOM 650 CA PRO A 41 2.232 5.756 -10.063 1.00 21.43 C ATOM 651 C PRO A 41 0.792 6.189 -10.407 1.00 63.11 C ATOM 652 O PRO A 41 0.402 7.326 -10.122 1.00 13.02 O ATOM 653 CB PRO A 41 3.255 6.238 -11.119 1.00 10.12 C ATOM 654 CG PRO A 41 3.394 5.093 -12.080 1.00 51.32 C ATOM 655 CD PRO A 41 3.195 3.831 -11.270 1.00 11.25 C ATOM 0 HA PRO A 41 2.395 6.189 -9.076 1.00 21.43 H new ATOM 0 HB2 PRO A 41 2.905 7.137 -11.625 1.00 10.12 H new ATOM 0 HB3 PRO A 41 4.212 6.484 -10.658 1.00 10.12 H new ATOM 0 HG2 PRO A 41 2.655 5.163 -12.878 1.00 51.32 H new ATOM 0 HG3 PRO A 41 4.376 5.100 -12.554 1.00 51.32 H new ATOM 0 HD2 PRO A 41 2.653 3.074 -11.837 1.00 11.25 H new ATOM 0 HD3 PRO A 41 4.148 3.390 -10.979 1.00 11.25 H new ATOM 663 N THR A 42 0.012 5.270 -11.023 1.00 32.34 N ATOM 664 CA THR A 42 -1.380 5.511 -11.445 1.00 40.12 C ATOM 665 C THR A 42 -2.296 4.346 -10.966 1.00 5.50 C ATOM 666 O THR A 42 -1.812 3.216 -10.776 1.00 5.13 O ATOM 667 CB THR A 42 -1.476 5.642 -13.009 1.00 62.45 C ATOM 668 OG1 THR A 42 -1.017 4.439 -13.649 1.00 65.13 O ATOM 669 CG2 THR A 42 -0.681 6.846 -13.547 1.00 0.43 C ATOM 0 H THR A 42 0.340 4.329 -11.242 1.00 32.34 H new ATOM 0 HA THR A 42 -1.713 6.445 -10.993 1.00 40.12 H new ATOM 0 HB THR A 42 -2.528 5.804 -13.244 1.00 62.45 H new ATOM 0 HG1 THR A 42 -1.086 4.539 -14.621 1.00 65.13 H new ATOM 0 HG21 THR A 42 -0.780 6.892 -14.632 1.00 0.43 H new ATOM 0 HG22 THR A 42 -1.070 7.765 -13.108 1.00 0.43 H new ATOM 0 HG23 THR A 42 0.371 6.735 -13.283 1.00 0.43 H new ATOM 677 N PRO A 43 -3.638 4.600 -10.763 1.00 1.32 N ATOM 678 CA PRO A 43 -4.632 3.528 -10.461 1.00 21.04 C ATOM 679 C PRO A 43 -4.791 2.517 -11.622 1.00 14.41 C ATOM 680 O PRO A 43 -5.248 1.382 -11.408 1.00 41.12 O ATOM 681 CB PRO A 43 -5.952 4.302 -10.208 1.00 64.33 C ATOM 682 CG PRO A 43 -5.531 5.721 -9.949 1.00 42.34 C ATOM 683 CD PRO A 43 -4.287 5.939 -10.774 1.00 11.12 C ATOM 0 HA PRO A 43 -4.322 2.921 -9.611 1.00 21.04 H new ATOM 0 HB2 PRO A 43 -6.617 4.239 -11.069 1.00 64.33 H new ATOM 0 HB3 PRO A 43 -6.494 3.890 -9.357 1.00 64.33 H new ATOM 0 HG2 PRO A 43 -6.317 6.420 -10.235 1.00 42.34 H new ATOM 0 HG3 PRO A 43 -5.331 5.882 -8.890 1.00 42.34 H new ATOM 0 HD2 PRO A 43 -4.526 6.263 -11.787 1.00 11.12 H new ATOM 0 HD3 PRO A 43 -3.643 6.703 -10.339 1.00 11.12 H new ATOM 691 N ALA A 44 -4.410 2.947 -12.843 1.00 24.11 N ATOM 692 CA ALA A 44 -4.414 2.090 -14.039 1.00 12.12 C ATOM 693 C ALA A 44 -3.317 1.025 -13.926 1.00 45.45 C ATOM 694 O ALA A 44 -3.596 -0.163 -14.080 1.00 2.41 O ATOM 695 CB ALA A 44 -4.216 2.936 -15.308 1.00 53.41 C ATOM 0 H ALA A 44 -4.091 3.899 -13.024 1.00 24.11 H new ATOM 0 HA ALA A 44 -5.380 1.590 -14.109 1.00 12.12 H new ATOM 0 HB1 ALA A 44 -4.222 2.286 -16.183 1.00 53.41 H new ATOM 0 HB2 ALA A 44 -5.024 3.663 -15.391 1.00 53.41 H new ATOM 0 HB3 ALA A 44 -3.262 3.460 -15.251 1.00 53.41 H new ATOM 701 N ALA A 45 -2.080 1.480 -13.591 1.00 30.31 N ATOM 702 CA ALA A 45 -0.887 0.612 -13.404 1.00 23.11 C ATOM 703 C ALA A 45 -1.091 -0.443 -12.297 1.00 43.24 C ATOM 704 O ALA A 45 -0.448 -1.506 -12.306 1.00 24.21 O ATOM 705 CB ALA A 45 0.356 1.472 -13.089 1.00 71.32 C ATOM 0 H ALA A 45 -1.882 2.469 -13.442 1.00 30.31 H new ATOM 0 HA ALA A 45 -0.735 0.075 -14.340 1.00 23.11 H new ATOM 0 HB1 ALA A 45 1.222 0.824 -12.954 1.00 71.32 H new ATOM 0 HB2 ALA A 45 0.542 2.159 -13.914 1.00 71.32 H new ATOM 0 HB3 ALA A 45 0.183 2.041 -12.175 1.00 71.32 H new ATOM 711 N ALA A 46 -2.012 -0.140 -11.365 1.00 2.25 N ATOM 712 CA ALA A 46 -2.370 -1.008 -10.228 1.00 42.51 C ATOM 713 C ALA A 46 -3.083 -2.323 -10.640 1.00 73.31 C ATOM 714 O ALA A 46 -3.405 -3.129 -9.762 1.00 73.50 O ATOM 715 CB ALA A 46 -3.226 -0.199 -9.250 1.00 40.42 C ATOM 0 H ALA A 46 -2.539 0.733 -11.381 1.00 2.25 H new ATOM 0 HA ALA A 46 -1.443 -1.330 -9.753 1.00 42.51 H new ATOM 0 HB1 ALA A 46 -3.500 -0.826 -8.402 1.00 40.42 H new ATOM 0 HB2 ALA A 46 -2.659 0.662 -8.896 1.00 40.42 H new ATOM 0 HB3 ALA A 46 -4.129 0.144 -9.755 1.00 40.42 H new ATOM 721 N PHE A 47 -3.301 -2.545 -11.961 1.00 62.22 N ATOM 722 CA PHE A 47 -3.917 -3.784 -12.515 1.00 44.21 C ATOM 723 C PHE A 47 -3.191 -5.075 -12.075 1.00 52.35 C ATOM 724 O PHE A 47 -3.789 -6.155 -12.059 1.00 22.42 O ATOM 725 CB PHE A 47 -3.976 -3.721 -14.079 1.00 0.33 C ATOM 726 CG PHE A 47 -2.613 -3.736 -14.798 1.00 53.11 C ATOM 727 CD1 PHE A 47 -2.007 -4.936 -15.164 1.00 43.41 C ATOM 728 CD2 PHE A 47 -1.940 -2.555 -15.107 1.00 65.31 C ATOM 729 CE1 PHE A 47 -0.786 -4.948 -15.803 1.00 54.15 C ATOM 730 CE2 PHE A 47 -0.714 -2.570 -15.748 1.00 12.10 C ATOM 731 CZ PHE A 47 -0.140 -3.765 -16.094 1.00 53.34 C ATOM 0 H PHE A 47 -3.053 -1.865 -12.680 1.00 62.22 H new ATOM 0 HA PHE A 47 -4.927 -3.827 -12.107 1.00 44.21 H new ATOM 0 HB2 PHE A 47 -4.565 -4.566 -14.437 1.00 0.33 H new ATOM 0 HB3 PHE A 47 -4.509 -2.816 -14.368 1.00 0.33 H new ATOM 0 HD1 PHE A 47 -2.501 -5.871 -14.944 1.00 43.41 H new ATOM 0 HD2 PHE A 47 -2.385 -1.608 -14.840 1.00 65.31 H new ATOM 0 HE1 PHE A 47 -0.333 -5.889 -16.077 1.00 54.15 H new ATOM 0 HE2 PHE A 47 -0.211 -1.642 -15.975 1.00 12.10 H new ATOM 0 HZ PHE A 47 0.817 -3.780 -16.594 1.00 53.34 H new ATOM 741 N ARG A 48 -1.889 -4.944 -11.755 1.00 0.42 N ATOM 742 CA ARG A 48 -1.016 -6.079 -11.404 1.00 75.11 C ATOM 743 C ARG A 48 -1.439 -6.780 -10.098 1.00 3.00 C ATOM 744 O ARG A 48 -1.153 -7.967 -9.908 1.00 15.02 O ATOM 745 CB ARG A 48 0.454 -5.601 -11.292 1.00 12.42 C ATOM 746 CG ARG A 48 1.011 -4.919 -12.560 1.00 14.20 C ATOM 747 CD ARG A 48 2.485 -4.521 -12.424 1.00 34.20 C ATOM 748 NE ARG A 48 2.938 -3.751 -13.595 1.00 1.53 N ATOM 749 CZ ARG A 48 3.295 -2.450 -13.585 1.00 22.41 C ATOM 750 NH1 ARG A 48 3.251 -1.741 -12.459 1.00 45.41 N ATOM 751 NH2 ARG A 48 3.701 -1.872 -14.707 1.00 40.40 N ATOM 0 H ARG A 48 -1.412 -4.043 -11.733 1.00 0.42 H new ATOM 0 HA ARG A 48 -1.112 -6.812 -12.205 1.00 75.11 H new ATOM 0 HB2 ARG A 48 0.532 -4.904 -10.457 1.00 12.42 H new ATOM 0 HB3 ARG A 48 1.083 -6.458 -11.051 1.00 12.42 H new ATOM 0 HG2 ARG A 48 0.899 -5.594 -13.409 1.00 14.20 H new ATOM 0 HG3 ARG A 48 0.419 -4.031 -12.779 1.00 14.20 H new ATOM 0 HD2 ARG A 48 2.623 -3.928 -11.520 1.00 34.20 H new ATOM 0 HD3 ARG A 48 3.098 -5.416 -12.314 1.00 34.20 H new ATOM 0 HE ARG A 48 2.986 -4.242 -14.488 1.00 1.53 H new ATOM 0 HH11 ARG A 48 2.945 -2.181 -11.591 1.00 45.41 H new ATOM 0 HH12 ARG A 48 3.523 -0.758 -12.464 1.00 45.41 H new ATOM 0 HH21 ARG A 48 3.742 -2.411 -15.572 1.00 40.40 H new ATOM 0 HH22 ARG A 48 3.972 -0.889 -14.705 1.00 40.40 H new ATOM 765 N SER A 49 -2.136 -6.038 -9.225 1.00 30.30 N ATOM 766 CA SER A 49 -2.525 -6.513 -7.895 1.00 52.13 C ATOM 767 C SER A 49 -3.932 -5.989 -7.536 1.00 21.05 C ATOM 768 O SER A 49 -4.215 -4.797 -7.721 1.00 11.23 O ATOM 769 CB SER A 49 -1.486 -6.045 -6.852 1.00 2.01 C ATOM 770 OG SER A 49 -1.895 -6.346 -5.523 1.00 73.30 O ATOM 0 H SER A 49 -2.446 -5.087 -9.426 1.00 30.30 H new ATOM 0 HA SER A 49 -2.555 -7.603 -7.895 1.00 52.13 H new ATOM 0 HB2 SER A 49 -0.528 -6.524 -7.054 1.00 2.01 H new ATOM 0 HB3 SER A 49 -1.332 -4.970 -6.950 1.00 2.01 H new ATOM 0 HG SER A 49 -1.793 -7.307 -5.359 1.00 73.30 H new ATOM 776 N PRO A 50 -4.840 -6.865 -6.999 1.00 51.11 N ATOM 777 CA PRO A 50 -6.153 -6.426 -6.473 1.00 62.05 C ATOM 778 C PRO A 50 -5.972 -5.471 -5.275 1.00 60.31 C ATOM 779 O PRO A 50 -6.699 -4.480 -5.144 1.00 15.23 O ATOM 780 CB PRO A 50 -6.849 -7.746 -6.045 1.00 34.13 C ATOM 781 CG PRO A 50 -6.086 -8.836 -6.745 1.00 12.05 C ATOM 782 CD PRO A 50 -4.667 -8.336 -6.865 1.00 72.24 C ATOM 0 HA PRO A 50 -6.738 -5.871 -7.207 1.00 62.05 H new ATOM 0 HB2 PRO A 50 -6.818 -7.875 -4.963 1.00 34.13 H new ATOM 0 HB3 PRO A 50 -7.899 -7.750 -6.336 1.00 34.13 H new ATOM 0 HG2 PRO A 50 -6.126 -9.766 -6.178 1.00 12.05 H new ATOM 0 HG3 PRO A 50 -6.512 -9.042 -7.727 1.00 12.05 H new ATOM 0 HD2 PRO A 50 -4.073 -8.594 -5.988 1.00 72.24 H new ATOM 0 HD3 PRO A 50 -4.161 -8.763 -7.731 1.00 72.24 H new ATOM 790 N LEU A 51 -4.940 -5.759 -4.443 1.00 13.45 N ATOM 791 CA LEU A 51 -4.625 -4.979 -3.235 1.00 31.21 C ATOM 792 C LEU A 51 -4.186 -3.556 -3.614 1.00 34.24 C ATOM 793 O LEU A 51 -4.562 -2.600 -2.937 1.00 2.43 O ATOM 794 CB LEU A 51 -3.514 -5.678 -2.395 1.00 0.42 C ATOM 795 CG LEU A 51 -3.066 -4.956 -1.075 1.00 10.52 C ATOM 796 CD1 LEU A 51 -4.263 -4.637 -0.156 1.00 34.44 C ATOM 797 CD2 LEU A 51 -1.982 -5.777 -0.333 1.00 12.40 C ATOM 0 H LEU A 51 -4.305 -6.542 -4.598 1.00 13.45 H new ATOM 0 HA LEU A 51 -5.528 -4.919 -2.627 1.00 31.21 H new ATOM 0 HB2 LEU A 51 -3.863 -6.677 -2.134 1.00 0.42 H new ATOM 0 HB3 LEU A 51 -2.636 -5.802 -3.029 1.00 0.42 H new ATOM 0 HG LEU A 51 -2.625 -4.001 -1.360 1.00 10.52 H new ATOM 0 HD11 LEU A 51 -3.907 -4.138 0.745 1.00 34.44 H new ATOM 0 HD12 LEU A 51 -4.961 -3.984 -0.681 1.00 34.44 H new ATOM 0 HD13 LEU A 51 -4.768 -5.563 0.118 1.00 34.44 H new ATOM 0 HD21 LEU A 51 -1.690 -5.254 0.578 1.00 12.40 H new ATOM 0 HD22 LEU A 51 -2.381 -6.758 -0.076 1.00 12.40 H new ATOM 0 HD23 LEU A 51 -1.111 -5.897 -0.978 1.00 12.40 H new ATOM 809 N ALA A 52 -3.430 -3.441 -4.724 1.00 40.40 N ATOM 810 CA ALA A 52 -2.932 -2.147 -5.234 1.00 72.14 C ATOM 811 C ALA A 52 -4.097 -1.201 -5.567 1.00 24.51 C ATOM 812 O ALA A 52 -4.125 -0.056 -5.105 1.00 4.10 O ATOM 813 CB ALA A 52 -2.057 -2.372 -6.471 1.00 21.33 C ATOM 0 H ALA A 52 -3.148 -4.240 -5.291 1.00 40.40 H new ATOM 0 HA ALA A 52 -2.331 -1.679 -4.454 1.00 72.14 H new ATOM 0 HB1 ALA A 52 -1.695 -1.412 -6.840 1.00 21.33 H new ATOM 0 HB2 ALA A 52 -1.208 -3.003 -6.207 1.00 21.33 H new ATOM 0 HB3 ALA A 52 -2.644 -2.861 -7.248 1.00 21.33 H new ATOM 819 N ARG A 53 -5.076 -1.731 -6.337 1.00 62.42 N ATOM 820 CA ARG A 53 -6.294 -0.986 -6.723 1.00 74.24 C ATOM 821 C ARG A 53 -7.154 -0.612 -5.495 1.00 41.34 C ATOM 822 O ARG A 53 -7.742 0.473 -5.454 1.00 62.10 O ATOM 823 CB ARG A 53 -7.148 -1.797 -7.744 1.00 32.23 C ATOM 824 CG ARG A 53 -6.529 -1.934 -9.155 1.00 65.20 C ATOM 825 CD ARG A 53 -7.521 -2.518 -10.181 1.00 30.40 C ATOM 826 NE ARG A 53 -6.992 -2.526 -11.553 1.00 14.42 N ATOM 827 CZ ARG A 53 -7.042 -1.494 -12.419 1.00 12.52 C ATOM 828 NH1 ARG A 53 -7.568 -0.322 -12.075 1.00 75.14 N ATOM 829 NH2 ARG A 53 -6.590 -1.652 -13.652 1.00 60.35 N ATOM 0 H ARG A 53 -5.043 -2.682 -6.705 1.00 62.42 H new ATOM 0 HA ARG A 53 -5.962 -0.062 -7.196 1.00 74.24 H new ATOM 0 HB2 ARG A 53 -7.318 -2.795 -7.340 1.00 32.23 H new ATOM 0 HB3 ARG A 53 -8.124 -1.321 -7.837 1.00 32.23 H new ATOM 0 HG2 ARG A 53 -6.192 -0.955 -9.497 1.00 65.20 H new ATOM 0 HG3 ARG A 53 -5.648 -2.574 -9.101 1.00 65.20 H new ATOM 0 HD2 ARG A 53 -7.777 -3.537 -9.891 1.00 30.40 H new ATOM 0 HD3 ARG A 53 -8.444 -1.938 -10.157 1.00 30.40 H new ATOM 0 HE ARG A 53 -6.549 -3.386 -11.877 1.00 14.42 H new ATOM 0 HH11 ARG A 53 -7.946 -0.188 -11.137 1.00 75.14 H new ATOM 0 HH12 ARG A 53 -7.594 0.443 -12.749 1.00 75.14 H new ATOM 0 HH21 ARG A 53 -6.206 -2.551 -13.943 1.00 60.35 H new ATOM 0 HH22 ARG A 53 -6.625 -0.875 -14.312 1.00 60.35 H new ATOM 843 N GLN A 54 -7.200 -1.511 -4.492 1.00 54.10 N ATOM 844 CA GLN A 54 -7.962 -1.289 -3.245 1.00 20.13 C ATOM 845 C GLN A 54 -7.301 -0.204 -2.364 1.00 23.51 C ATOM 846 O GLN A 54 -7.985 0.500 -1.618 1.00 65.14 O ATOM 847 CB GLN A 54 -8.119 -2.607 -2.453 1.00 52.15 C ATOM 848 CG GLN A 54 -8.976 -3.683 -3.128 1.00 54.22 C ATOM 849 CD GLN A 54 -9.058 -4.970 -2.301 1.00 14.31 C ATOM 850 OE1 GLN A 54 -8.104 -5.871 -2.491 1.00 74.14 O flip ATOM 851 NE2 GLN A 54 -9.959 -5.144 -1.482 1.00 74.04 N flip ATOM 0 H GLN A 54 -6.713 -2.407 -4.522 1.00 54.10 H new ATOM 0 HA GLN A 54 -8.954 -0.934 -3.526 1.00 20.13 H new ATOM 0 HB2 GLN A 54 -7.127 -3.020 -2.268 1.00 52.15 H new ATOM 0 HB3 GLN A 54 -8.555 -2.377 -1.481 1.00 52.15 H new ATOM 0 HG2 GLN A 54 -9.981 -3.294 -3.290 1.00 54.22 H new ATOM 0 HG3 GLN A 54 -8.561 -3.911 -4.110 1.00 54.22 H new ATOM 0 HE21 GLN A 54 -10.680 -4.433 -1.358 1.00 74.04 H new ATOM 0 HE22 GLN A 54 -9.986 -5.999 -0.927 1.00 74.04 H new ATOM 860 N LEU A 55 -5.963 -0.098 -2.443 1.00 12.41 N ATOM 861 CA LEU A 55 -5.203 0.972 -1.761 1.00 73.31 C ATOM 862 C LEU A 55 -5.430 2.326 -2.465 1.00 35.23 C ATOM 863 O LEU A 55 -5.432 3.364 -1.814 1.00 22.22 O ATOM 864 CB LEU A 55 -3.693 0.607 -1.657 1.00 41.24 C ATOM 865 CG LEU A 55 -3.342 -0.580 -0.694 1.00 74.01 C ATOM 866 CD1 LEU A 55 -1.854 -0.974 -0.796 1.00 24.53 C ATOM 867 CD2 LEU A 55 -3.731 -0.252 0.768 1.00 12.24 C ATOM 0 H LEU A 55 -5.380 -0.744 -2.975 1.00 12.41 H new ATOM 0 HA LEU A 55 -5.574 1.068 -0.740 1.00 73.31 H new ATOM 0 HB2 LEU A 55 -3.329 0.361 -2.654 1.00 41.24 H new ATOM 0 HB3 LEU A 55 -3.147 1.491 -1.328 1.00 41.24 H new ATOM 0 HG LEU A 55 -3.932 -1.440 -1.012 1.00 74.01 H new ATOM 0 HD11 LEU A 55 -1.649 -1.799 -0.114 1.00 24.53 H new ATOM 0 HD12 LEU A 55 -1.628 -1.282 -1.817 1.00 24.53 H new ATOM 0 HD13 LEU A 55 -1.232 -0.120 -0.529 1.00 24.53 H new ATOM 0 HD21 LEU A 55 -3.475 -1.095 1.410 1.00 12.24 H new ATOM 0 HD22 LEU A 55 -3.189 0.634 1.099 1.00 12.24 H new ATOM 0 HD23 LEU A 55 -4.803 -0.064 0.826 1.00 12.24 H new ATOM 879 N PHE A 56 -5.668 2.302 -3.794 1.00 65.55 N ATOM 880 CA PHE A 56 -6.081 3.511 -4.559 1.00 32.20 C ATOM 881 C PHE A 56 -7.557 3.887 -4.293 1.00 42.45 C ATOM 882 O PHE A 56 -7.959 5.015 -4.574 1.00 73.14 O ATOM 883 CB PHE A 56 -5.830 3.328 -6.087 1.00 1.41 C ATOM 884 CG PHE A 56 -4.374 3.545 -6.505 1.00 21.21 C ATOM 885 CD1 PHE A 56 -3.865 4.836 -6.633 1.00 13.42 C ATOM 886 CD2 PHE A 56 -3.523 2.477 -6.771 1.00 50.44 C ATOM 887 CE1 PHE A 56 -2.555 5.045 -7.012 1.00 63.41 C ATOM 888 CE2 PHE A 56 -2.211 2.689 -7.150 1.00 71.53 C ATOM 889 CZ PHE A 56 -1.729 3.974 -7.269 1.00 3.40 C ATOM 0 H PHE A 56 -5.583 1.461 -4.365 1.00 65.55 H new ATOM 0 HA PHE A 56 -5.461 4.335 -4.206 1.00 32.20 H new ATOM 0 HB2 PHE A 56 -6.136 2.323 -6.378 1.00 1.41 H new ATOM 0 HB3 PHE A 56 -6.463 4.025 -6.636 1.00 1.41 H new ATOM 0 HD1 PHE A 56 -4.504 5.683 -6.433 1.00 13.42 H new ATOM 0 HD2 PHE A 56 -3.893 1.467 -6.680 1.00 50.44 H new ATOM 0 HE1 PHE A 56 -2.176 6.052 -7.107 1.00 63.41 H new ATOM 0 HE2 PHE A 56 -1.564 1.848 -7.353 1.00 71.53 H new ATOM 0 HZ PHE A 56 -0.704 4.141 -7.564 1.00 3.40 H new ATOM 899 N ARG A 57 -8.362 2.949 -3.760 1.00 45.11 N ATOM 900 CA ARG A 57 -9.748 3.242 -3.299 1.00 10.30 C ATOM 901 C ARG A 57 -9.744 4.119 -2.026 1.00 52.52 C ATOM 902 O ARG A 57 -10.776 4.667 -1.638 1.00 4.22 O ATOM 903 CB ARG A 57 -10.539 1.936 -3.031 1.00 64.13 C ATOM 904 CG ARG A 57 -10.853 1.097 -4.291 1.00 41.44 C ATOM 905 CD ARG A 57 -11.575 -0.223 -3.948 1.00 43.50 C ATOM 906 NE ARG A 57 -12.827 0.006 -3.202 1.00 32.04 N ATOM 907 CZ ARG A 57 -13.438 -0.892 -2.396 1.00 44.34 C ATOM 908 NH1 ARG A 57 -12.923 -2.109 -2.191 1.00 43.51 N ATOM 909 NH2 ARG A 57 -14.580 -0.561 -1.811 1.00 42.53 N ATOM 0 H ARG A 57 -8.083 1.976 -3.634 1.00 45.11 H new ATOM 0 HA ARG A 57 -10.241 3.792 -4.100 1.00 10.30 H new ATOM 0 HB2 ARG A 57 -9.970 1.320 -2.334 1.00 64.13 H new ATOM 0 HB3 ARG A 57 -11.477 2.191 -2.538 1.00 64.13 H new ATOM 0 HG2 ARG A 57 -11.473 1.682 -4.970 1.00 41.44 H new ATOM 0 HG3 ARG A 57 -9.925 0.875 -4.818 1.00 41.44 H new ATOM 0 HD2 ARG A 57 -11.796 -0.764 -4.868 1.00 43.50 H new ATOM 0 HD3 ARG A 57 -10.912 -0.855 -3.357 1.00 43.50 H new ATOM 0 HE ARG A 57 -13.270 0.919 -3.303 1.00 32.04 H new ATOM 0 HH11 ARG A 57 -12.051 -2.377 -2.647 1.00 43.51 H new ATOM 0 HH12 ARG A 57 -13.402 -2.769 -1.579 1.00 43.51 H new ATOM 0 HH21 ARG A 57 -14.987 0.361 -1.971 1.00 42.53 H new ATOM 0 HH22 ARG A 57 -15.052 -1.228 -1.201 1.00 42.53 H new ATOM 923 N ILE A 58 -8.570 4.233 -1.394 1.00 45.51 N ATOM 924 CA ILE A 58 -8.339 5.077 -0.216 1.00 31.42 C ATOM 925 C ILE A 58 -7.932 6.480 -0.695 1.00 32.45 C ATOM 926 O ILE A 58 -7.000 6.610 -1.506 1.00 73.22 O ATOM 927 CB ILE A 58 -7.192 4.457 0.672 1.00 23.14 C ATOM 928 CG1 ILE A 58 -7.560 2.989 1.068 1.00 43.13 C ATOM 929 CG2 ILE A 58 -6.870 5.337 1.910 1.00 64.21 C ATOM 930 CD1 ILE A 58 -6.435 2.200 1.702 1.00 44.50 C ATOM 0 H ILE A 58 -7.735 3.730 -1.694 1.00 45.51 H new ATOM 0 HA ILE A 58 -9.247 5.137 0.384 1.00 31.42 H new ATOM 0 HB ILE A 58 -6.277 4.431 0.081 1.00 23.14 H new ATOM 0 HG12 ILE A 58 -8.402 3.015 1.760 1.00 43.13 H new ATOM 0 HG13 ILE A 58 -7.897 2.461 0.176 1.00 43.13 H new ATOM 0 HG21 ILE A 58 -6.075 4.870 2.491 1.00 64.21 H new ATOM 0 HG22 ILE A 58 -6.547 6.324 1.580 1.00 64.21 H new ATOM 0 HG23 ILE A 58 -7.762 5.435 2.529 1.00 64.21 H new ATOM 0 HD11 ILE A 58 -6.785 1.196 1.942 1.00 44.50 H new ATOM 0 HD12 ILE A 58 -5.598 2.136 1.006 1.00 44.50 H new ATOM 0 HD13 ILE A 58 -6.110 2.699 2.615 1.00 44.50 H new ATOM 942 N GLU A 59 -8.662 7.516 -0.236 1.00 21.44 N ATOM 943 CA GLU A 59 -8.345 8.912 -0.560 1.00 21.42 C ATOM 944 C GLU A 59 -7.020 9.314 0.103 1.00 1.40 C ATOM 945 O GLU A 59 -6.736 8.926 1.253 1.00 41.20 O ATOM 946 CB GLU A 59 -9.489 9.876 -0.138 1.00 54.11 C ATOM 947 CG GLU A 59 -9.790 9.931 1.374 1.00 23.04 C ATOM 948 CD GLU A 59 -10.768 11.047 1.755 1.00 23.14 C ATOM 949 OE1 GLU A 59 -10.317 12.190 1.985 1.00 40.12 O ATOM 950 OE2 GLU A 59 -11.988 10.795 1.815 1.00 51.25 O ATOM 0 H GLU A 59 -9.480 7.406 0.364 1.00 21.44 H new ATOM 0 HA GLU A 59 -8.241 8.993 -1.642 1.00 21.42 H new ATOM 0 HB2 GLU A 59 -9.237 10.881 -0.477 1.00 54.11 H new ATOM 0 HB3 GLU A 59 -10.399 9.582 -0.661 1.00 54.11 H new ATOM 0 HG2 GLU A 59 -10.201 8.973 1.691 1.00 23.04 H new ATOM 0 HG3 GLU A 59 -8.857 10.073 1.919 1.00 23.04 H new ATOM 957 N GLY A 60 -6.203 10.055 -0.646 1.00 53.00 N ATOM 958 CA GLY A 60 -4.899 10.490 -0.186 1.00 42.11 C ATOM 959 C GLY A 60 -3.764 9.733 -0.850 1.00 24.21 C ATOM 960 O GLY A 60 -2.642 10.216 -0.857 1.00 5.40 O ATOM 0 H GLY A 60 -6.434 10.367 -1.589 1.00 53.00 H new ATOM 0 HA2 GLY A 60 -4.785 11.556 -0.384 1.00 42.11 H new ATOM 0 HA3 GLY A 60 -4.836 10.358 0.894 1.00 42.11 H new ATOM 964 N VAL A 61 -4.053 8.543 -1.414 1.00 21.31 N ATOM 965 CA VAL A 61 -3.032 7.687 -2.043 1.00 11.14 C ATOM 966 C VAL A 61 -2.716 8.171 -3.473 1.00 44.42 C ATOM 967 O VAL A 61 -3.596 8.224 -4.338 1.00 54.43 O ATOM 968 CB VAL A 61 -3.482 6.177 -2.042 1.00 34.24 C ATOM 969 CG1 VAL A 61 -2.467 5.266 -2.779 1.00 41.34 C ATOM 970 CG2 VAL A 61 -3.726 5.695 -0.589 1.00 41.45 C ATOM 0 H VAL A 61 -4.995 8.152 -1.445 1.00 21.31 H new ATOM 0 HA VAL A 61 -2.118 7.762 -1.453 1.00 11.14 H new ATOM 0 HB VAL A 61 -4.419 6.105 -2.594 1.00 34.24 H new ATOM 0 HG11 VAL A 61 -2.818 4.234 -2.753 1.00 41.34 H new ATOM 0 HG12 VAL A 61 -2.372 5.591 -3.815 1.00 41.34 H new ATOM 0 HG13 VAL A 61 -1.496 5.331 -2.288 1.00 41.34 H new ATOM 0 HG21 VAL A 61 -4.037 4.650 -0.600 1.00 41.45 H new ATOM 0 HG22 VAL A 61 -2.806 5.794 -0.013 1.00 41.45 H new ATOM 0 HG23 VAL A 61 -4.508 6.301 -0.131 1.00 41.45 H new ATOM 980 N LYS A 62 -1.455 8.566 -3.673 1.00 22.15 N ATOM 981 CA LYS A 62 -0.894 8.927 -4.989 1.00 61.34 C ATOM 982 C LYS A 62 -0.360 7.686 -5.697 1.00 11.51 C ATOM 983 O LYS A 62 -0.553 7.500 -6.905 1.00 62.24 O ATOM 984 CB LYS A 62 0.265 9.946 -4.804 1.00 51.31 C ATOM 985 CG LYS A 62 1.009 10.381 -6.090 1.00 2.00 C ATOM 986 CD LYS A 62 0.098 11.092 -7.108 1.00 50.42 C ATOM 987 CE LYS A 62 -0.445 12.433 -6.601 1.00 21.10 C ATOM 988 NZ LYS A 62 -1.370 13.053 -7.582 1.00 44.42 N ATOM 0 H LYS A 62 -0.779 8.647 -2.914 1.00 22.15 H new ATOM 0 HA LYS A 62 -1.685 9.372 -5.593 1.00 61.34 H new ATOM 0 HB2 LYS A 62 -0.137 10.838 -4.323 1.00 51.31 H new ATOM 0 HB3 LYS A 62 0.993 9.515 -4.117 1.00 51.31 H new ATOM 0 HG2 LYS A 62 1.829 11.046 -5.820 1.00 2.00 H new ATOM 0 HG3 LYS A 62 1.452 9.503 -6.560 1.00 2.00 H new ATOM 0 HD2 LYS A 62 0.655 11.258 -8.030 1.00 50.42 H new ATOM 0 HD3 LYS A 62 -0.739 10.439 -7.355 1.00 50.42 H new ATOM 0 HE2 LYS A 62 -0.965 12.282 -5.655 1.00 21.10 H new ATOM 0 HE3 LYS A 62 0.385 13.111 -6.404 1.00 21.10 H new ATOM 0 HZ1 LYS A 62 -1.718 13.958 -7.207 1.00 44.42 H new ATOM 0 HZ2 LYS A 62 -0.866 13.220 -8.477 1.00 44.42 H new ATOM 0 HZ3 LYS A 62 -2.174 12.416 -7.751 1.00 44.42 H new ATOM 1002 N SER A 63 0.325 6.846 -4.922 1.00 54.03 N ATOM 1003 CA SER A 63 1.104 5.722 -5.442 1.00 61.33 C ATOM 1004 C SER A 63 1.204 4.607 -4.402 1.00 34.23 C ATOM 1005 O SER A 63 1.123 4.851 -3.192 1.00 22.03 O ATOM 1006 CB SER A 63 2.520 6.192 -5.873 1.00 45.23 C ATOM 1007 OG SER A 63 2.457 7.117 -6.953 1.00 44.30 O ATOM 0 H SER A 63 0.355 6.927 -3.906 1.00 54.03 H new ATOM 0 HA SER A 63 0.590 5.328 -6.319 1.00 61.33 H new ATOM 0 HB2 SER A 63 3.024 6.655 -5.025 1.00 45.23 H new ATOM 0 HB3 SER A 63 3.117 5.329 -6.166 1.00 45.23 H new ATOM 0 HG SER A 63 3.364 7.395 -7.199 1.00 44.30 H new ATOM 1013 N VAL A 64 1.372 3.381 -4.905 1.00 71.05 N ATOM 1014 CA VAL A 64 1.531 2.168 -4.081 1.00 32.04 C ATOM 1015 C VAL A 64 2.806 1.446 -4.519 1.00 3.10 C ATOM 1016 O VAL A 64 3.049 1.283 -5.709 1.00 14.23 O ATOM 1017 CB VAL A 64 0.294 1.197 -4.225 1.00 54.22 C ATOM 1018 CG1 VAL A 64 0.518 -0.136 -3.470 1.00 43.53 C ATOM 1019 CG2 VAL A 64 -1.013 1.884 -3.774 1.00 73.21 C ATOM 0 H VAL A 64 1.403 3.195 -5.907 1.00 71.05 H new ATOM 0 HA VAL A 64 1.595 2.464 -3.034 1.00 32.04 H new ATOM 0 HB VAL A 64 0.195 0.955 -5.283 1.00 54.22 H new ATOM 0 HG11 VAL A 64 -0.356 -0.776 -3.594 1.00 43.53 H new ATOM 0 HG12 VAL A 64 1.397 -0.639 -3.873 1.00 43.53 H new ATOM 0 HG13 VAL A 64 0.671 0.067 -2.410 1.00 43.53 H new ATOM 0 HG21 VAL A 64 -1.846 1.190 -3.885 1.00 73.21 H new ATOM 0 HG22 VAL A 64 -0.926 2.182 -2.729 1.00 73.21 H new ATOM 0 HG23 VAL A 64 -1.191 2.766 -4.389 1.00 73.21 H new ATOM 1029 N PHE A 65 3.624 1.031 -3.552 1.00 0.14 N ATOM 1030 CA PHE A 65 4.850 0.263 -3.803 1.00 11.13 C ATOM 1031 C PHE A 65 4.821 -0.995 -2.932 1.00 53.22 C ATOM 1032 O PHE A 65 4.770 -0.903 -1.704 1.00 50.44 O ATOM 1033 CB PHE A 65 6.107 1.125 -3.484 1.00 4.41 C ATOM 1034 CG PHE A 65 7.444 0.381 -3.619 1.00 74.54 C ATOM 1035 CD1 PHE A 65 7.942 0.035 -4.875 1.00 22.23 C ATOM 1036 CD2 PHE A 65 8.191 0.017 -2.493 1.00 3.34 C ATOM 1037 CE1 PHE A 65 9.140 -0.645 -5.001 1.00 62.51 C ATOM 1038 CE2 PHE A 65 9.388 -0.665 -2.622 1.00 73.35 C ATOM 1039 CZ PHE A 65 9.861 -0.993 -3.877 1.00 23.12 C ATOM 0 H PHE A 65 3.456 1.218 -2.564 1.00 0.14 H new ATOM 0 HA PHE A 65 4.902 -0.020 -4.854 1.00 11.13 H new ATOM 0 HB2 PHE A 65 6.118 1.988 -4.150 1.00 4.41 H new ATOM 0 HB3 PHE A 65 6.020 1.508 -2.467 1.00 4.41 H new ATOM 0 HD1 PHE A 65 7.385 0.302 -5.761 1.00 22.23 H new ATOM 0 HD2 PHE A 65 7.828 0.272 -1.508 1.00 3.34 H new ATOM 0 HE1 PHE A 65 9.512 -0.904 -5.981 1.00 62.51 H new ATOM 0 HE2 PHE A 65 9.951 -0.940 -1.743 1.00 73.35 H new ATOM 0 HZ PHE A 65 10.797 -1.523 -3.979 1.00 23.12 H new ATOM 1049 N PHE A 66 4.807 -2.160 -3.578 1.00 21.13 N ATOM 1050 CA PHE A 66 5.007 -3.445 -2.905 1.00 0.42 C ATOM 1051 C PHE A 66 6.488 -3.817 -3.021 1.00 44.23 C ATOM 1052 O PHE A 66 7.035 -3.903 -4.128 1.00 63.43 O ATOM 1053 CB PHE A 66 4.124 -4.551 -3.530 1.00 45.31 C ATOM 1054 CG PHE A 66 2.623 -4.325 -3.425 1.00 44.04 C ATOM 1055 CD1 PHE A 66 2.051 -3.847 -2.253 1.00 14.24 C ATOM 1056 CD2 PHE A 66 1.783 -4.607 -4.496 1.00 2.13 C ATOM 1057 CE1 PHE A 66 0.684 -3.654 -2.158 1.00 32.02 C ATOM 1058 CE2 PHE A 66 0.426 -4.414 -4.398 1.00 33.53 C ATOM 1059 CZ PHE A 66 -0.125 -3.939 -3.232 1.00 61.44 C ATOM 0 H PHE A 66 4.657 -2.241 -4.584 1.00 21.13 H new ATOM 0 HA PHE A 66 4.717 -3.356 -1.858 1.00 0.42 H new ATOM 0 HB2 PHE A 66 4.387 -4.650 -4.583 1.00 45.31 H new ATOM 0 HB3 PHE A 66 4.366 -5.500 -3.051 1.00 45.31 H new ATOM 0 HD1 PHE A 66 2.681 -3.623 -1.405 1.00 14.24 H new ATOM 0 HD2 PHE A 66 2.202 -4.983 -5.418 1.00 2.13 H new ATOM 0 HE1 PHE A 66 0.253 -3.280 -1.241 1.00 32.02 H new ATOM 0 HE2 PHE A 66 -0.211 -4.637 -5.241 1.00 33.53 H new ATOM 0 HZ PHE A 66 -1.192 -3.790 -3.160 1.00 61.44 H new ATOM 1069 N GLY A 67 7.112 -4.012 -1.865 1.00 44.44 N ATOM 1070 CA GLY A 67 8.524 -4.331 -1.752 1.00 72.54 C ATOM 1071 C GLY A 67 8.762 -5.570 -0.878 1.00 11.15 C ATOM 1072 O GLY A 67 7.795 -6.161 -0.366 1.00 31.53 O ATOM 0 H GLY A 67 6.638 -3.951 -0.964 1.00 44.44 H new ATOM 0 HA2 GLY A 67 8.938 -4.502 -2.746 1.00 72.54 H new ATOM 0 HA3 GLY A 67 9.056 -3.480 -1.327 1.00 72.54 H new ATOM 1076 N PRO A 68 10.043 -6.022 -0.733 1.00 74.00 N ATOM 1077 CA PRO A 68 10.415 -7.154 0.154 1.00 64.43 C ATOM 1078 C PRO A 68 9.943 -6.952 1.612 1.00 51.23 C ATOM 1079 O PRO A 68 10.417 -6.040 2.310 1.00 61.24 O ATOM 1080 CB PRO A 68 11.956 -7.216 0.023 1.00 33.01 C ATOM 1081 CG PRO A 68 12.242 -6.590 -1.313 1.00 12.42 C ATOM 1082 CD PRO A 68 11.225 -5.485 -1.450 1.00 45.32 C ATOM 0 HA PRO A 68 9.933 -8.089 -0.133 1.00 64.43 H new ATOM 0 HB2 PRO A 68 12.446 -6.671 0.830 1.00 33.01 H new ATOM 0 HB3 PRO A 68 12.318 -8.243 0.066 1.00 33.01 H new ATOM 0 HG2 PRO A 68 13.258 -6.199 -1.356 1.00 12.42 H new ATOM 0 HG3 PRO A 68 12.146 -7.318 -2.119 1.00 12.42 H new ATOM 0 HD2 PRO A 68 11.578 -4.555 -1.004 1.00 45.32 H new ATOM 0 HD3 PRO A 68 11.000 -5.272 -2.495 1.00 45.32 H new ATOM 1090 N ASP A 69 8.932 -7.766 2.000 1.00 11.34 N ATOM 1091 CA ASP A 69 8.379 -7.842 3.372 1.00 15.34 C ATOM 1092 C ASP A 69 7.570 -6.598 3.784 1.00 71.11 C ATOM 1093 O ASP A 69 7.108 -6.527 4.924 1.00 64.35 O ATOM 1094 CB ASP A 69 9.486 -8.161 4.422 1.00 65.03 C ATOM 1095 CG ASP A 69 10.142 -9.531 4.193 1.00 3.44 C ATOM 1096 OD1 ASP A 69 9.602 -10.545 4.681 1.00 33.41 O ATOM 1097 OD2 ASP A 69 11.193 -9.596 3.522 1.00 44.15 O ATOM 0 H ASP A 69 8.468 -8.402 1.352 1.00 11.34 H new ATOM 0 HA ASP A 69 7.672 -8.671 3.353 1.00 15.34 H new ATOM 0 HB2 ASP A 69 10.251 -7.385 4.385 1.00 65.03 H new ATOM 0 HB3 ASP A 69 9.052 -8.133 5.422 1.00 65.03 H new ATOM 1102 N SER A 70 7.329 -5.662 2.846 1.00 35.12 N ATOM 1103 CA SER A 70 6.763 -4.338 3.183 1.00 44.04 C ATOM 1104 C SER A 70 5.926 -3.748 2.032 1.00 70.22 C ATOM 1105 O SER A 70 6.089 -4.121 0.876 1.00 11.03 O ATOM 1106 CB SER A 70 7.925 -3.393 3.539 1.00 41.04 C ATOM 1107 OG SER A 70 8.875 -3.351 2.487 1.00 43.13 O ATOM 0 H SER A 70 7.516 -5.796 1.852 1.00 35.12 H new ATOM 0 HA SER A 70 6.086 -4.454 4.030 1.00 44.04 H new ATOM 0 HB2 SER A 70 7.541 -2.391 3.729 1.00 41.04 H new ATOM 0 HB3 SER A 70 8.406 -3.729 4.457 1.00 41.04 H new ATOM 0 HG SER A 70 9.354 -4.205 2.445 1.00 43.13 H new ATOM 1113 N ILE A 71 5.022 -2.813 2.388 1.00 4.04 N ATOM 1114 CA ILE A 71 4.174 -2.056 1.441 1.00 50.13 C ATOM 1115 C ILE A 71 4.359 -0.560 1.733 1.00 71.11 C ATOM 1116 O ILE A 71 3.820 -0.060 2.715 1.00 72.31 O ATOM 1117 CB ILE A 71 2.640 -2.426 1.620 1.00 32.50 C ATOM 1118 CG1 ILE A 71 2.398 -3.954 1.417 1.00 13.22 C ATOM 1119 CG2 ILE A 71 1.741 -1.573 0.686 1.00 52.21 C ATOM 1120 CD1 ILE A 71 0.970 -4.412 1.659 1.00 33.13 C ATOM 0 H ILE A 71 4.857 -2.557 3.361 1.00 4.04 H new ATOM 0 HA ILE A 71 4.468 -2.304 0.421 1.00 50.13 H new ATOM 0 HB ILE A 71 2.359 -2.187 2.646 1.00 32.50 H new ATOM 0 HG12 ILE A 71 2.682 -4.220 0.399 1.00 13.22 H new ATOM 0 HG13 ILE A 71 3.059 -4.504 2.087 1.00 13.22 H new ATOM 0 HG21 ILE A 71 0.697 -1.850 0.833 1.00 52.21 H new ATOM 0 HG22 ILE A 71 1.872 -0.517 0.920 1.00 52.21 H new ATOM 0 HG23 ILE A 71 2.021 -1.752 -0.352 1.00 52.21 H new ATOM 0 HD11 ILE A 71 0.900 -5.487 1.494 1.00 33.13 H new ATOM 0 HD12 ILE A 71 0.684 -4.183 2.685 1.00 33.13 H new ATOM 0 HD13 ILE A 71 0.301 -3.895 0.972 1.00 33.13 H new ATOM 1132 N THR A 72 5.108 0.163 0.898 1.00 52.34 N ATOM 1133 CA THR A 72 5.306 1.603 1.079 1.00 62.42 C ATOM 1134 C THR A 72 4.259 2.354 0.234 1.00 73.10 C ATOM 1135 O THR A 72 4.243 2.235 -0.989 1.00 61.52 O ATOM 1136 CB THR A 72 6.750 2.024 0.661 1.00 11.13 C ATOM 1137 OG1 THR A 72 7.711 1.154 1.285 1.00 44.54 O ATOM 1138 CG2 THR A 72 7.062 3.488 1.048 1.00 15.31 C ATOM 0 H THR A 72 5.589 -0.226 0.087 1.00 52.34 H new ATOM 0 HA THR A 72 5.182 1.856 2.132 1.00 62.42 H new ATOM 0 HB THR A 72 6.813 1.941 -0.424 1.00 11.13 H new ATOM 0 HG1 THR A 72 8.597 1.315 0.899 1.00 44.54 H new ATOM 0 HG21 THR A 72 8.077 3.738 0.738 1.00 15.31 H new ATOM 0 HG22 THR A 72 6.357 4.154 0.551 1.00 15.31 H new ATOM 0 HG23 THR A 72 6.973 3.606 2.128 1.00 15.31 H new ATOM 1146 N VAL A 73 3.383 3.116 0.898 1.00 12.44 N ATOM 1147 CA VAL A 73 2.334 3.914 0.236 1.00 74.12 C ATOM 1148 C VAL A 73 2.821 5.370 0.203 1.00 74.01 C ATOM 1149 O VAL A 73 3.489 5.814 1.135 1.00 62.10 O ATOM 1150 CB VAL A 73 0.954 3.804 1.007 1.00 74.31 C ATOM 1151 CG1 VAL A 73 -0.149 4.679 0.367 1.00 1.14 C ATOM 1152 CG2 VAL A 73 0.491 2.329 1.123 1.00 70.33 C ATOM 0 H VAL A 73 3.378 3.200 1.915 1.00 12.44 H new ATOM 0 HA VAL A 73 2.160 3.541 -0.773 1.00 74.12 H new ATOM 0 HB VAL A 73 1.126 4.189 2.012 1.00 74.31 H new ATOM 0 HG11 VAL A 73 -1.075 4.569 0.932 1.00 1.14 H new ATOM 0 HG12 VAL A 73 0.162 5.724 0.380 1.00 1.14 H new ATOM 0 HG13 VAL A 73 -0.313 4.362 -0.663 1.00 1.14 H new ATOM 0 HG21 VAL A 73 -0.458 2.287 1.657 1.00 70.33 H new ATOM 0 HG22 VAL A 73 0.366 1.907 0.126 1.00 70.33 H new ATOM 0 HG23 VAL A 73 1.240 1.754 1.668 1.00 70.33 H new ATOM 1162 N THR A 74 2.518 6.093 -0.878 1.00 72.35 N ATOM 1163 CA THR A 74 2.860 7.511 -1.016 1.00 25.44 C ATOM 1164 C THR A 74 1.560 8.327 -1.080 1.00 34.44 C ATOM 1165 O THR A 74 0.632 7.951 -1.804 1.00 72.32 O ATOM 1166 CB THR A 74 3.721 7.745 -2.301 1.00 73.22 C ATOM 1167 OG1 THR A 74 4.872 6.883 -2.275 1.00 42.24 O ATOM 1168 CG2 THR A 74 4.194 9.206 -2.442 1.00 51.21 C ATOM 0 H THR A 74 2.027 5.710 -1.685 1.00 72.35 H new ATOM 0 HA THR A 74 3.451 7.831 -0.158 1.00 25.44 H new ATOM 0 HB THR A 74 3.085 7.518 -3.156 1.00 73.22 H new ATOM 0 HG1 THR A 74 5.409 7.030 -3.082 1.00 42.24 H new ATOM 0 HG21 THR A 74 4.787 9.310 -3.351 1.00 51.21 H new ATOM 0 HG22 THR A 74 3.328 9.865 -2.496 1.00 51.21 H new ATOM 0 HG23 THR A 74 4.802 9.476 -1.579 1.00 51.21 H new ATOM 1176 N LYS A 75 1.502 9.420 -0.299 1.00 35.33 N ATOM 1177 CA LYS A 75 0.378 10.372 -0.294 1.00 65.33 C ATOM 1178 C LYS A 75 0.475 11.304 -1.514 1.00 24.20 C ATOM 1179 O LYS A 75 1.511 11.339 -2.194 1.00 24.33 O ATOM 1180 CB LYS A 75 0.374 11.207 1.022 1.00 22.33 C ATOM 1181 CG LYS A 75 1.502 12.264 1.118 1.00 23.33 C ATOM 1182 CD LYS A 75 1.488 13.051 2.448 1.00 21.22 C ATOM 1183 CE LYS A 75 1.850 12.194 3.660 1.00 15.24 C ATOM 1184 NZ LYS A 75 1.766 12.958 4.941 1.00 2.55 N ATOM 0 H LYS A 75 2.244 9.670 0.355 1.00 35.33 H new ATOM 0 HA LYS A 75 -0.555 9.811 -0.348 1.00 65.33 H new ATOM 0 HB2 LYS A 75 -0.588 11.712 1.114 1.00 22.33 H new ATOM 0 HB3 LYS A 75 0.459 10.526 1.869 1.00 22.33 H new ATOM 0 HG2 LYS A 75 2.466 11.768 1.007 1.00 23.33 H new ATOM 0 HG3 LYS A 75 1.406 12.964 0.288 1.00 23.33 H new ATOM 0 HD2 LYS A 75 2.189 13.883 2.377 1.00 21.22 H new ATOM 0 HD3 LYS A 75 0.497 13.480 2.598 1.00 21.22 H new ATOM 0 HE2 LYS A 75 1.181 11.335 3.708 1.00 15.24 H new ATOM 0 HE3 LYS A 75 2.861 11.804 3.538 1.00 15.24 H new ATOM 0 HZ1 LYS A 75 1.785 12.295 5.742 1.00 2.55 H new ATOM 0 HZ2 LYS A 75 2.574 13.609 5.011 1.00 2.55 H new ATOM 0 HZ3 LYS A 75 0.880 13.503 4.963 1.00 2.55 H new ATOM 1198 N GLU A 76 -0.598 12.057 -1.782 1.00 1.14 N ATOM 1199 CA GLU A 76 -0.651 12.992 -2.922 1.00 64.53 C ATOM 1200 C GLU A 76 0.233 14.213 -2.666 1.00 60.34 C ATOM 1201 O GLU A 76 1.156 14.507 -3.435 1.00 1.53 O ATOM 1202 CB GLU A 76 -2.113 13.405 -3.211 1.00 71.33 C ATOM 1203 CG GLU A 76 -3.042 12.213 -3.499 1.00 72.21 C ATOM 1204 CD GLU A 76 -4.475 12.620 -3.838 1.00 1.32 C ATOM 1205 OE1 GLU A 76 -4.756 12.891 -5.022 1.00 74.32 O ATOM 1206 OE2 GLU A 76 -5.328 12.672 -2.932 1.00 72.54 O ATOM 0 H GLU A 76 -1.450 12.039 -1.222 1.00 1.14 H new ATOM 0 HA GLU A 76 -0.262 12.485 -3.805 1.00 64.53 H new ATOM 0 HB2 GLU A 76 -2.501 13.960 -2.357 1.00 71.33 H new ATOM 0 HB3 GLU A 76 -2.129 14.082 -4.065 1.00 71.33 H new ATOM 0 HG2 GLU A 76 -2.632 11.636 -4.328 1.00 72.21 H new ATOM 0 HG3 GLU A 76 -3.056 11.556 -2.629 1.00 72.21 H new ATOM 1213 N ASN A 77 -0.042 14.876 -1.550 1.00 74.01 N ATOM 1214 CA ASN A 77 0.640 16.110 -1.143 1.00 21.54 C ATOM 1215 C ASN A 77 0.642 16.223 0.388 1.00 20.51 C ATOM 1216 O ASN A 77 -0.135 15.536 1.068 1.00 3.55 O ATOM 1217 CB ASN A 77 -0.027 17.348 -1.823 1.00 62.33 C ATOM 1218 CG ASN A 77 -1.511 17.561 -1.470 1.00 51.32 C ATOM 1219 OD1 ASN A 77 -2.251 16.623 -1.183 1.00 60.14 O ATOM 1220 ND2 ASN A 77 -1.961 18.807 -1.522 1.00 64.22 N ATOM 0 H ASN A 77 -0.756 14.571 -0.888 1.00 74.01 H new ATOM 0 HA ASN A 77 1.678 16.081 -1.475 1.00 21.54 H new ATOM 0 HB2 ASN A 77 0.530 18.242 -1.543 1.00 62.33 H new ATOM 0 HB3 ASN A 77 0.063 17.242 -2.904 1.00 62.33 H new ATOM 0 HD21 ASN A 77 -2.941 19.004 -1.321 1.00 64.22 H new ATOM 0 HD22 ASN A 77 -1.327 19.569 -1.763 1.00 64.22 H new ATOM 1227 N GLU A 78 1.505 17.113 0.917 1.00 31.23 N ATOM 1228 CA GLU A 78 1.753 17.265 2.372 1.00 0.31 C ATOM 1229 C GLU A 78 0.554 17.891 3.119 1.00 12.13 C ATOM 1230 O GLU A 78 0.553 17.951 4.355 1.00 21.05 O ATOM 1231 CB GLU A 78 3.038 18.099 2.595 1.00 21.45 C ATOM 1232 CG GLU A 78 4.316 17.464 2.011 1.00 71.21 C ATOM 1233 CD GLU A 78 5.568 18.309 2.256 1.00 34.51 C ATOM 1234 OE1 GLU A 78 6.188 18.172 3.331 1.00 73.52 O ATOM 1235 OE2 GLU A 78 5.936 19.127 1.384 1.00 32.44 O ATOM 0 H GLU A 78 2.056 17.753 0.345 1.00 31.23 H new ATOM 0 HA GLU A 78 1.887 16.268 2.791 1.00 0.31 H new ATOM 0 HB2 GLU A 78 2.900 19.084 2.149 1.00 21.45 H new ATOM 0 HB3 GLU A 78 3.178 18.250 3.665 1.00 21.45 H new ATOM 0 HG2 GLU A 78 4.459 16.477 2.451 1.00 71.21 H new ATOM 0 HG3 GLU A 78 4.186 17.319 0.939 1.00 71.21 H new ATOM 1242 N GLU A 79 -0.455 18.342 2.351 1.00 65.44 N ATOM 1243 CA GLU A 79 -1.766 18.762 2.884 1.00 21.11 C ATOM 1244 C GLU A 79 -2.413 17.608 3.685 1.00 53.33 C ATOM 1245 O GLU A 79 -3.020 17.817 4.734 1.00 42.33 O ATOM 1246 CB GLU A 79 -2.684 19.176 1.705 1.00 41.44 C ATOM 1247 CG GLU A 79 -4.039 19.797 2.101 1.00 44.13 C ATOM 1248 CD GLU A 79 -3.908 21.222 2.672 1.00 2.23 C ATOM 1249 OE1 GLU A 79 -3.676 21.375 3.890 1.00 54.34 O ATOM 1250 OE2 GLU A 79 -4.035 22.198 1.895 1.00 14.41 O ATOM 0 H GLU A 79 -0.384 18.426 1.337 1.00 65.44 H new ATOM 0 HA GLU A 79 -1.630 19.611 3.555 1.00 21.11 H new ATOM 0 HB2 GLU A 79 -2.145 19.890 1.082 1.00 41.44 H new ATOM 0 HB3 GLU A 79 -2.874 18.297 1.090 1.00 41.44 H new ATOM 0 HG2 GLU A 79 -4.690 19.821 1.227 1.00 44.13 H new ATOM 0 HG3 GLU A 79 -4.522 19.159 2.841 1.00 44.13 H new ATOM 1257 N LEU A 80 -2.220 16.393 3.165 1.00 32.52 N ATOM 1258 CA LEU A 80 -2.787 15.148 3.689 1.00 12.01 C ATOM 1259 C LEU A 80 -1.849 14.518 4.714 1.00 71.31 C ATOM 1260 O LEU A 80 -0.681 14.280 4.425 1.00 31.41 O ATOM 1261 CB LEU A 80 -2.994 14.186 2.495 1.00 53.21 C ATOM 1262 CG LEU A 80 -4.014 14.674 1.420 1.00 2.34 C ATOM 1263 CD1 LEU A 80 -3.790 13.943 0.094 1.00 12.13 C ATOM 1264 CD2 LEU A 80 -5.464 14.522 1.913 1.00 41.24 C ATOM 0 H LEU A 80 -1.643 16.244 2.337 1.00 32.52 H new ATOM 0 HA LEU A 80 -3.735 15.350 4.188 1.00 12.01 H new ATOM 0 HB2 LEU A 80 -2.031 14.020 2.011 1.00 53.21 H new ATOM 0 HB3 LEU A 80 -3.328 13.222 2.879 1.00 53.21 H new ATOM 0 HG LEU A 80 -3.844 15.737 1.249 1.00 2.34 H new ATOM 0 HD11 LEU A 80 -4.511 14.297 -0.643 1.00 12.13 H new ATOM 0 HD12 LEU A 80 -2.779 14.140 -0.264 1.00 12.13 H new ATOM 0 HD13 LEU A 80 -3.920 12.871 0.243 1.00 12.13 H new ATOM 0 HD21 LEU A 80 -6.149 14.871 1.141 1.00 41.24 H new ATOM 0 HD22 LEU A 80 -5.666 13.473 2.131 1.00 41.24 H new ATOM 0 HD23 LEU A 80 -5.605 15.114 2.817 1.00 41.24 H new ATOM 1276 N ASP A 81 -2.362 14.286 5.912 1.00 22.15 N ATOM 1277 CA ASP A 81 -1.623 13.588 6.992 1.00 61.15 C ATOM 1278 C ASP A 81 -1.923 12.077 6.943 1.00 60.32 C ATOM 1279 O ASP A 81 -2.999 11.680 6.490 1.00 31.10 O ATOM 1280 CB ASP A 81 -2.016 14.177 8.374 1.00 34.10 C ATOM 1281 CG ASP A 81 -1.101 13.691 9.520 1.00 32.00 C ATOM 1282 OD1 ASP A 81 -0.035 14.304 9.747 1.00 23.24 O ATOM 1283 OD2 ASP A 81 -1.418 12.684 10.173 1.00 73.25 O ATOM 0 H ASP A 81 -3.304 14.571 6.179 1.00 22.15 H new ATOM 0 HA ASP A 81 -0.553 13.736 6.845 1.00 61.15 H new ATOM 0 HB2 ASP A 81 -1.978 15.265 8.323 1.00 34.10 H new ATOM 0 HB3 ASP A 81 -3.047 13.904 8.599 1.00 34.10 H new ATOM 1288 N TRP A 82 -0.992 11.246 7.453 1.00 63.22 N ATOM 1289 CA TRP A 82 -1.119 9.772 7.406 1.00 55.44 C ATOM 1290 C TRP A 82 -2.231 9.230 8.324 1.00 63.23 C ATOM 1291 O TRP A 82 -2.723 8.139 8.071 1.00 51.22 O ATOM 1292 CB TRP A 82 0.243 9.082 7.713 1.00 4.40 C ATOM 1293 CG TRP A 82 1.226 9.133 6.560 1.00 4.22 C ATOM 1294 CD1 TRP A 82 2.424 9.794 6.499 1.00 31.32 C ATOM 1295 CD2 TRP A 82 1.066 8.485 5.286 1.00 73.30 C ATOM 1296 NE1 TRP A 82 3.004 9.602 5.270 1.00 31.34 N ATOM 1297 CE2 TRP A 82 2.191 8.805 4.509 1.00 60.23 C ATOM 1298 CE3 TRP A 82 0.078 7.666 4.730 1.00 61.41 C ATOM 1299 CZ2 TRP A 82 2.355 8.338 3.210 1.00 54.12 C ATOM 1300 CZ3 TRP A 82 0.241 7.206 3.441 1.00 12.32 C ATOM 1301 CH2 TRP A 82 1.370 7.544 2.694 1.00 10.12 C ATOM 0 H TRP A 82 -0.138 11.572 7.905 1.00 63.22 H new ATOM 0 HA TRP A 82 -1.414 9.524 6.386 1.00 55.44 H new ATOM 0 HB2 TRP A 82 0.693 9.558 8.584 1.00 4.40 H new ATOM 0 HB3 TRP A 82 0.061 8.040 7.978 1.00 4.40 H new ATOM 0 HD1 TRP A 82 2.850 10.380 7.300 1.00 31.32 H new ATOM 0 HE1 TRP A 82 3.898 9.991 4.971 1.00 31.34 H new ATOM 0 HE3 TRP A 82 -0.798 7.398 5.301 1.00 61.41 H new ATOM 0 HZ2 TRP A 82 3.229 8.594 2.630 1.00 54.12 H new ATOM 0 HZ3 TRP A 82 -0.517 6.574 3.002 1.00 12.32 H new ATOM 0 HH2 TRP A 82 1.467 7.170 1.686 1.00 10.12 H new ATOM 1312 N ASN A 83 -2.660 10.004 9.353 1.00 74.12 N ATOM 1313 CA ASN A 83 -3.765 9.590 10.273 1.00 55.50 C ATOM 1314 C ASN A 83 -5.079 9.340 9.509 1.00 44.21 C ATOM 1315 O ASN A 83 -5.903 8.531 9.943 1.00 13.52 O ATOM 1316 CB ASN A 83 -4.030 10.645 11.407 1.00 50.54 C ATOM 1317 CG ASN A 83 -3.073 10.524 12.604 1.00 75.32 C ATOM 1318 OD1 ASN A 83 -3.257 9.665 13.465 1.00 44.04 O ATOM 1319 ND2 ASN A 83 -2.103 11.418 12.721 1.00 72.52 N ATOM 0 H ASN A 83 -2.262 10.918 9.571 1.00 74.12 H new ATOM 0 HA ASN A 83 -3.430 8.661 10.733 1.00 55.50 H new ATOM 0 HB2 ASN A 83 -3.945 11.647 10.986 1.00 50.54 H new ATOM 0 HB3 ASN A 83 -5.055 10.534 11.761 1.00 50.54 H new ATOM 0 HD21 ASN A 83 -1.491 11.403 13.537 1.00 72.52 H new ATOM 0 HD22 ASN A 83 -1.968 12.122 11.995 1.00 72.52 H new ATOM 1326 N LEU A 84 -5.237 10.021 8.364 1.00 51.33 N ATOM 1327 CA LEU A 84 -6.451 9.941 7.540 1.00 52.25 C ATOM 1328 C LEU A 84 -6.500 8.577 6.820 1.00 53.51 C ATOM 1329 O LEU A 84 -7.545 7.932 6.764 1.00 70.33 O ATOM 1330 CB LEU A 84 -6.474 11.115 6.508 1.00 72.03 C ATOM 1331 CG LEU A 84 -6.155 12.544 7.066 1.00 34.12 C ATOM 1332 CD1 LEU A 84 -6.259 13.613 5.955 1.00 61.11 C ATOM 1333 CD2 LEU A 84 -7.032 12.896 8.289 1.00 30.15 C ATOM 0 H LEU A 84 -4.525 10.644 7.983 1.00 51.33 H new ATOM 0 HA LEU A 84 -7.330 10.029 8.178 1.00 52.25 H new ATOM 0 HB2 LEU A 84 -5.757 10.889 5.719 1.00 72.03 H new ATOM 0 HB3 LEU A 84 -7.460 11.142 6.044 1.00 72.03 H new ATOM 0 HG LEU A 84 -5.123 12.535 7.415 1.00 34.12 H new ATOM 0 HD11 LEU A 84 -6.032 14.594 6.372 1.00 61.11 H new ATOM 0 HD12 LEU A 84 -5.548 13.383 5.161 1.00 61.11 H new ATOM 0 HD13 LEU A 84 -7.270 13.617 5.547 1.00 61.11 H new ATOM 0 HD21 LEU A 84 -6.778 13.895 8.644 1.00 30.15 H new ATOM 0 HD22 LEU A 84 -8.083 12.869 8.003 1.00 30.15 H new ATOM 0 HD23 LEU A 84 -6.854 12.172 9.085 1.00 30.15 H new ATOM 1345 N LEU A 85 -5.330 8.143 6.317 1.00 65.52 N ATOM 1346 CA LEU A 85 -5.187 6.942 5.473 1.00 74.33 C ATOM 1347 C LEU A 85 -5.001 5.657 6.309 1.00 62.43 C ATOM 1348 O LEU A 85 -5.566 4.635 5.957 1.00 73.04 O ATOM 1349 CB LEU A 85 -3.978 7.098 4.498 1.00 54.05 C ATOM 1350 CG LEU A 85 -4.016 8.296 3.472 1.00 5.23 C ATOM 1351 CD1 LEU A 85 -3.668 9.649 4.121 1.00 35.41 C ATOM 1352 CD2 LEU A 85 -3.115 8.012 2.251 1.00 60.45 C ATOM 0 H LEU A 85 -4.446 8.622 6.487 1.00 65.52 H new ATOM 0 HA LEU A 85 -6.113 6.847 4.906 1.00 74.33 H new ATOM 0 HB2 LEU A 85 -3.074 7.198 5.098 1.00 54.05 H new ATOM 0 HB3 LEU A 85 -3.883 6.172 3.930 1.00 54.05 H new ATOM 0 HG LEU A 85 -5.046 8.376 3.125 1.00 5.23 H new ATOM 0 HD11 LEU A 85 -3.710 10.436 3.368 1.00 35.41 H new ATOM 0 HD12 LEU A 85 -4.384 9.867 4.914 1.00 35.41 H new ATOM 0 HD13 LEU A 85 -2.663 9.603 4.542 1.00 35.41 H new ATOM 0 HD21 LEU A 85 -3.161 8.855 1.561 1.00 60.45 H new ATOM 0 HD22 LEU A 85 -2.086 7.871 2.583 1.00 60.45 H new ATOM 0 HD23 LEU A 85 -3.461 7.110 1.746 1.00 60.45 H new ATOM 1364 N LYS A 86 -4.207 5.738 7.407 1.00 24.14 N ATOM 1365 CA LYS A 86 -3.797 4.561 8.239 1.00 52.15 C ATOM 1366 C LYS A 86 -4.942 3.538 8.552 1.00 1.44 C ATOM 1367 O LYS A 86 -4.769 2.369 8.214 1.00 52.52 O ATOM 1368 CB LYS A 86 -3.089 5.015 9.557 1.00 21.22 C ATOM 1369 CG LYS A 86 -1.626 5.481 9.389 1.00 54.40 C ATOM 1370 CD LYS A 86 -1.054 6.085 10.693 1.00 55.11 C ATOM 1371 CE LYS A 86 0.397 6.560 10.536 1.00 14.41 C ATOM 1372 NZ LYS A 86 0.871 7.285 11.749 1.00 54.23 N ATOM 0 H LYS A 86 -3.828 6.622 7.747 1.00 24.14 H new ATOM 0 HA LYS A 86 -3.089 4.018 7.613 1.00 52.15 H new ATOM 0 HB2 LYS A 86 -3.665 5.829 9.998 1.00 21.22 H new ATOM 0 HB3 LYS A 86 -3.111 4.188 10.266 1.00 21.22 H new ATOM 0 HG2 LYS A 86 -1.010 4.636 9.081 1.00 54.40 H new ATOM 0 HG3 LYS A 86 -1.572 6.223 8.592 1.00 54.40 H new ATOM 0 HD2 LYS A 86 -1.676 6.925 11.004 1.00 55.11 H new ATOM 0 HD3 LYS A 86 -1.105 5.340 11.487 1.00 55.11 H new ATOM 0 HE2 LYS A 86 1.043 5.702 10.348 1.00 14.41 H new ATOM 0 HE3 LYS A 86 0.475 7.214 9.667 1.00 14.41 H new ATOM 0 HZ1 LYS A 86 1.855 7.591 11.608 1.00 54.23 H new ATOM 0 HZ2 LYS A 86 0.269 8.117 11.913 1.00 54.23 H new ATOM 0 HZ3 LYS A 86 0.820 6.653 12.573 1.00 54.23 H new ATOM 1386 N PRO A 87 -6.136 3.942 9.143 1.00 75.41 N ATOM 1387 CA PRO A 87 -7.238 2.979 9.450 1.00 53.11 C ATOM 1388 C PRO A 87 -7.775 2.284 8.179 1.00 13.41 C ATOM 1389 O PRO A 87 -8.105 1.086 8.194 1.00 3.45 O ATOM 1390 CB PRO A 87 -8.338 3.854 10.120 1.00 1.44 C ATOM 1391 CG PRO A 87 -7.627 5.099 10.548 1.00 3.02 C ATOM 1392 CD PRO A 87 -6.543 5.327 9.520 1.00 44.35 C ATOM 0 HA PRO A 87 -6.897 2.167 10.092 1.00 53.11 H new ATOM 0 HB2 PRO A 87 -9.144 4.079 9.422 1.00 1.44 H new ATOM 0 HB3 PRO A 87 -8.787 3.342 10.971 1.00 1.44 H new ATOM 0 HG2 PRO A 87 -8.312 5.946 10.589 1.00 3.02 H new ATOM 0 HG3 PRO A 87 -7.202 4.984 11.545 1.00 3.02 H new ATOM 0 HD2 PRO A 87 -6.914 5.886 8.661 1.00 44.35 H new ATOM 0 HD3 PRO A 87 -5.709 5.894 9.933 1.00 44.35 H new ATOM 1400 N ASP A 88 -7.800 3.051 7.073 1.00 32.41 N ATOM 1401 CA ASP A 88 -8.243 2.575 5.757 1.00 74.14 C ATOM 1402 C ASP A 88 -7.242 1.553 5.185 1.00 24.44 C ATOM 1403 O ASP A 88 -7.647 0.513 4.675 1.00 61.50 O ATOM 1404 CB ASP A 88 -8.384 3.775 4.780 1.00 43.23 C ATOM 1405 CG ASP A 88 -9.494 4.760 5.156 1.00 74.54 C ATOM 1406 OD1 ASP A 88 -9.294 5.583 6.071 1.00 63.52 O ATOM 1407 OD2 ASP A 88 -10.576 4.719 4.531 1.00 71.32 O ATOM 0 H ASP A 88 -7.509 4.029 7.072 1.00 32.41 H new ATOM 0 HA ASP A 88 -9.211 2.088 5.873 1.00 74.14 H new ATOM 0 HB2 ASP A 88 -7.436 4.311 4.740 1.00 43.23 H new ATOM 0 HB3 ASP A 88 -8.576 3.393 3.777 1.00 43.23 H new ATOM 1412 N ILE A 89 -5.935 1.868 5.309 1.00 2.53 N ATOM 1413 CA ILE A 89 -4.835 1.048 4.754 1.00 42.52 C ATOM 1414 C ILE A 89 -4.749 -0.303 5.481 1.00 42.24 C ATOM 1415 O ILE A 89 -4.616 -1.341 4.833 1.00 62.24 O ATOM 1416 CB ILE A 89 -3.453 1.826 4.806 1.00 22.42 C ATOM 1417 CG1 ILE A 89 -3.511 3.086 3.871 1.00 10.24 C ATOM 1418 CG2 ILE A 89 -2.253 0.915 4.432 1.00 21.31 C ATOM 1419 CD1 ILE A 89 -2.242 3.920 3.812 1.00 23.51 C ATOM 0 H ILE A 89 -5.611 2.702 5.799 1.00 2.53 H new ATOM 0 HA ILE A 89 -5.054 0.851 3.704 1.00 42.52 H new ATOM 0 HB ILE A 89 -3.293 2.151 5.834 1.00 22.42 H new ATOM 0 HG12 ILE A 89 -3.754 2.756 2.861 1.00 10.24 H new ATOM 0 HG13 ILE A 89 -4.329 3.725 4.203 1.00 10.24 H new ATOM 0 HG21 ILE A 89 -1.329 1.491 4.482 1.00 21.31 H new ATOM 0 HG22 ILE A 89 -2.198 0.080 5.131 1.00 21.31 H new ATOM 0 HG23 ILE A 89 -2.388 0.532 3.420 1.00 21.31 H new ATOM 0 HD11 ILE A 89 -2.392 4.764 3.138 1.00 23.51 H new ATOM 0 HD12 ILE A 89 -2.003 4.290 4.809 1.00 23.51 H new ATOM 0 HD13 ILE A 89 -1.419 3.305 3.446 1.00 23.51 H new ATOM 1431 N TYR A 90 -4.876 -0.278 6.827 1.00 35.14 N ATOM 1432 CA TYR A 90 -4.863 -1.511 7.645 1.00 32.55 C ATOM 1433 C TYR A 90 -6.067 -2.392 7.276 1.00 23.45 C ATOM 1434 O TYR A 90 -5.906 -3.576 6.991 1.00 63.22 O ATOM 1435 CB TYR A 90 -4.872 -1.203 9.170 1.00 4.33 C ATOM 1436 CG TYR A 90 -3.728 -0.297 9.663 1.00 34.41 C ATOM 1437 CD1 TYR A 90 -2.452 -0.337 9.081 1.00 62.31 C ATOM 1438 CD2 TYR A 90 -3.934 0.614 10.705 1.00 24.33 C ATOM 1439 CE1 TYR A 90 -1.441 0.496 9.521 1.00 14.31 C ATOM 1440 CE2 TYR A 90 -2.924 1.448 11.136 1.00 12.40 C ATOM 1441 CZ TYR A 90 -1.684 1.382 10.544 1.00 55.03 C ATOM 1442 OH TYR A 90 -0.679 2.225 10.959 1.00 71.33 O ATOM 0 H TYR A 90 -4.988 0.580 7.368 1.00 35.14 H new ATOM 0 HA TYR A 90 -3.937 -2.043 7.428 1.00 32.55 H new ATOM 0 HB2 TYR A 90 -5.822 -0.732 9.424 1.00 4.33 H new ATOM 0 HB3 TYR A 90 -4.828 -2.146 9.715 1.00 4.33 H new ATOM 0 HD1 TYR A 90 -2.257 -1.030 8.276 1.00 62.31 H new ATOM 0 HD2 TYR A 90 -4.902 0.665 11.181 1.00 24.33 H new ATOM 0 HE1 TYR A 90 -0.464 0.451 9.063 1.00 14.31 H new ATOM 0 HE2 TYR A 90 -3.106 2.151 11.936 1.00 12.40 H new ATOM 0 HH TYR A 90 -1.007 2.791 11.689 1.00 71.33 H new ATOM 1452 N ALA A 91 -7.258 -1.762 7.226 1.00 25.44 N ATOM 1453 CA ALA A 91 -8.526 -2.442 6.890 1.00 10.52 C ATOM 1454 C ALA A 91 -8.464 -3.113 5.501 1.00 53.41 C ATOM 1455 O ALA A 91 -8.872 -4.254 5.354 1.00 12.54 O ATOM 1456 CB ALA A 91 -9.689 -1.444 6.934 1.00 23.04 C ATOM 0 H ALA A 91 -7.368 -0.766 7.418 1.00 25.44 H new ATOM 0 HA ALA A 91 -8.687 -3.223 7.633 1.00 10.52 H new ATOM 0 HB1 ALA A 91 -10.618 -1.957 6.685 1.00 23.04 H new ATOM 0 HB2 ALA A 91 -9.766 -1.019 7.935 1.00 23.04 H new ATOM 0 HB3 ALA A 91 -9.511 -0.646 6.214 1.00 23.04 H new ATOM 1462 N THR A 92 -7.926 -2.373 4.510 1.00 22.23 N ATOM 1463 CA THR A 92 -7.807 -2.821 3.103 1.00 24.22 C ATOM 1464 C THR A 92 -6.845 -4.027 2.944 1.00 64.24 C ATOM 1465 O THR A 92 -7.187 -5.010 2.274 1.00 23.14 O ATOM 1466 CB THR A 92 -7.335 -1.630 2.197 1.00 63.51 C ATOM 1467 OG1 THR A 92 -8.353 -0.609 2.163 1.00 53.43 O ATOM 1468 CG2 THR A 92 -7.010 -2.050 0.760 1.00 20.53 C ATOM 0 H THR A 92 -7.557 -1.435 4.664 1.00 22.23 H new ATOM 0 HA THR A 92 -8.795 -3.155 2.786 1.00 24.22 H new ATOM 0 HB THR A 92 -6.414 -1.253 2.642 1.00 63.51 H new ATOM 0 HG1 THR A 92 -8.290 -0.057 2.970 1.00 53.43 H new ATOM 0 HG21 THR A 92 -6.690 -1.178 0.190 1.00 20.53 H new ATOM 0 HG22 THR A 92 -6.210 -2.791 0.769 1.00 20.53 H new ATOM 0 HG23 THR A 92 -7.898 -2.481 0.297 1.00 20.53 H new ATOM 1476 N ILE A 93 -5.645 -3.925 3.559 1.00 35.34 N ATOM 1477 CA ILE A 93 -4.619 -4.990 3.515 1.00 14.33 C ATOM 1478 C ILE A 93 -5.173 -6.283 4.151 1.00 44.31 C ATOM 1479 O ILE A 93 -5.194 -7.341 3.508 1.00 22.01 O ATOM 1480 CB ILE A 93 -3.272 -4.528 4.213 1.00 13.52 C ATOM 1481 CG1 ILE A 93 -2.608 -3.355 3.406 1.00 30.40 C ATOM 1482 CG2 ILE A 93 -2.271 -5.697 4.398 1.00 72.23 C ATOM 1483 CD1 ILE A 93 -1.352 -2.764 4.042 1.00 33.21 C ATOM 0 H ILE A 93 -5.362 -3.106 4.097 1.00 35.34 H new ATOM 0 HA ILE A 93 -4.379 -5.195 2.472 1.00 14.33 H new ATOM 0 HB ILE A 93 -3.534 -4.171 5.209 1.00 13.52 H new ATOM 0 HG12 ILE A 93 -2.356 -3.717 2.409 1.00 30.40 H new ATOM 0 HG13 ILE A 93 -3.342 -2.559 3.280 1.00 30.40 H new ATOM 0 HG21 ILE A 93 -1.366 -5.328 4.880 1.00 72.23 H new ATOM 0 HG22 ILE A 93 -2.724 -6.469 5.020 1.00 72.23 H new ATOM 0 HG23 ILE A 93 -2.018 -6.117 3.424 1.00 72.23 H new ATOM 0 HD11 ILE A 93 -0.968 -1.962 3.412 1.00 33.21 H new ATOM 0 HD12 ILE A 93 -1.596 -2.366 5.027 1.00 33.21 H new ATOM 0 HD13 ILE A 93 -0.595 -3.541 4.142 1.00 33.21 H new ATOM 1495 N MET A 94 -5.708 -6.155 5.381 1.00 23.31 N ATOM 1496 CA MET A 94 -6.251 -7.299 6.143 1.00 41.41 C ATOM 1497 C MET A 94 -7.439 -7.954 5.395 1.00 33.04 C ATOM 1498 O MET A 94 -7.524 -9.181 5.326 1.00 65.40 O ATOM 1499 CB MET A 94 -6.681 -6.861 7.577 1.00 10.15 C ATOM 1500 CG MET A 94 -5.533 -6.333 8.458 1.00 51.43 C ATOM 1501 SD MET A 94 -6.051 -5.899 10.141 1.00 34.33 S ATOM 1502 CE MET A 94 -7.385 -4.724 9.878 1.00 72.34 C ATOM 0 H MET A 94 -5.776 -5.264 5.872 1.00 23.31 H new ATOM 0 HA MET A 94 -5.458 -8.041 6.236 1.00 41.41 H new ATOM 0 HB2 MET A 94 -7.443 -6.086 7.493 1.00 10.15 H new ATOM 0 HB3 MET A 94 -7.145 -7.711 8.078 1.00 10.15 H new ATOM 0 HG2 MET A 94 -4.750 -7.089 8.511 1.00 51.43 H new ATOM 0 HG3 MET A 94 -5.096 -5.454 7.983 1.00 51.43 H new ATOM 0 HE1 MET A 94 -7.703 -4.314 10.837 1.00 72.34 H new ATOM 0 HE2 MET A 94 -7.036 -3.916 9.235 1.00 72.34 H new ATOM 0 HE3 MET A 94 -8.226 -5.229 9.403 1.00 72.34 H new ATOM 1512 N ASP A 95 -8.318 -7.109 4.822 1.00 13.44 N ATOM 1513 CA ASP A 95 -9.518 -7.544 4.063 1.00 34.23 C ATOM 1514 C ASP A 95 -9.150 -8.327 2.787 1.00 52.25 C ATOM 1515 O ASP A 95 -9.849 -9.269 2.405 1.00 14.13 O ATOM 1516 CB ASP A 95 -10.393 -6.320 3.690 1.00 10.52 C ATOM 1517 CG ASP A 95 -11.651 -6.710 2.898 1.00 74.24 C ATOM 1518 OD1 ASP A 95 -12.580 -7.294 3.500 1.00 74.12 O ATOM 1519 OD2 ASP A 95 -11.726 -6.434 1.680 1.00 51.33 O ATOM 0 H ASP A 95 -8.219 -6.095 4.871 1.00 13.44 H new ATOM 0 HA ASP A 95 -10.081 -8.214 4.713 1.00 34.23 H new ATOM 0 HB2 ASP A 95 -10.689 -5.799 4.601 1.00 10.52 H new ATOM 0 HB3 ASP A 95 -9.800 -5.621 3.101 1.00 10.52 H new ATOM 1524 N PHE A 96 -8.060 -7.897 2.136 1.00 1.11 N ATOM 1525 CA PHE A 96 -7.479 -8.580 0.962 1.00 71.41 C ATOM 1526 C PHE A 96 -7.039 -10.017 1.328 1.00 73.45 C ATOM 1527 O PHE A 96 -7.322 -10.974 0.588 1.00 65.00 O ATOM 1528 CB PHE A 96 -6.283 -7.753 0.417 1.00 64.12 C ATOM 1529 CG PHE A 96 -5.485 -8.422 -0.699 1.00 3.03 C ATOM 1530 CD1 PHE A 96 -5.986 -8.483 -1.997 1.00 72.44 C ATOM 1531 CD2 PHE A 96 -4.235 -9.002 -0.447 1.00 63.04 C ATOM 1532 CE1 PHE A 96 -5.268 -9.093 -3.004 1.00 4.44 C ATOM 1533 CE2 PHE A 96 -3.524 -9.613 -1.461 1.00 12.14 C ATOM 1534 CZ PHE A 96 -4.043 -9.656 -2.736 1.00 44.34 C ATOM 0 H PHE A 96 -7.549 -7.058 2.409 1.00 1.11 H new ATOM 0 HA PHE A 96 -8.237 -8.655 0.182 1.00 71.41 H new ATOM 0 HB2 PHE A 96 -6.659 -6.798 0.050 1.00 64.12 H new ATOM 0 HB3 PHE A 96 -5.607 -7.533 1.244 1.00 64.12 H new ATOM 0 HD1 PHE A 96 -6.949 -8.047 -2.218 1.00 72.44 H new ATOM 0 HD2 PHE A 96 -3.823 -8.971 0.551 1.00 63.04 H new ATOM 0 HE1 PHE A 96 -5.669 -9.128 -4.006 1.00 4.44 H new ATOM 0 HE2 PHE A 96 -2.561 -10.057 -1.254 1.00 12.14 H new ATOM 0 HZ PHE A 96 -3.486 -10.134 -3.528 1.00 44.34 H new ATOM 1544 N PHE A 97 -6.357 -10.146 2.481 1.00 12.45 N ATOM 1545 CA PHE A 97 -5.929 -11.464 3.010 1.00 70.24 C ATOM 1546 C PHE A 97 -7.145 -12.281 3.526 1.00 63.31 C ATOM 1547 O PHE A 97 -7.141 -13.513 3.469 1.00 63.30 O ATOM 1548 CB PHE A 97 -4.846 -11.292 4.116 1.00 41.13 C ATOM 1549 CG PHE A 97 -3.478 -10.811 3.588 1.00 43.21 C ATOM 1550 CD1 PHE A 97 -2.595 -11.701 2.973 1.00 2.32 C ATOM 1551 CD2 PHE A 97 -3.076 -9.479 3.697 1.00 10.00 C ATOM 1552 CE1 PHE A 97 -1.368 -11.274 2.490 1.00 73.11 C ATOM 1553 CE2 PHE A 97 -1.849 -9.055 3.209 1.00 20.03 C ATOM 1554 CZ PHE A 97 -0.998 -9.953 2.607 1.00 42.21 C ATOM 0 H PHE A 97 -6.088 -9.356 3.068 1.00 12.45 H new ATOM 0 HA PHE A 97 -5.480 -12.028 2.192 1.00 70.24 H new ATOM 0 HB2 PHE A 97 -5.209 -10.579 4.857 1.00 41.13 H new ATOM 0 HB3 PHE A 97 -4.711 -12.244 4.629 1.00 41.13 H new ATOM 0 HD1 PHE A 97 -2.873 -12.740 2.872 1.00 2.32 H new ATOM 0 HD2 PHE A 97 -3.733 -8.765 4.171 1.00 10.00 H new ATOM 0 HE1 PHE A 97 -0.700 -11.980 2.020 1.00 73.11 H new ATOM 0 HE2 PHE A 97 -1.561 -8.018 3.302 1.00 20.03 H new ATOM 0 HZ PHE A 97 -0.042 -9.623 2.227 1.00 42.21 H new ATOM 1564 N ALA A 98 -8.192 -11.577 3.993 1.00 53.31 N ATOM 1565 CA ALA A 98 -9.461 -12.196 4.456 1.00 72.20 C ATOM 1566 C ALA A 98 -10.285 -12.745 3.281 1.00 2.45 C ATOM 1567 O ALA A 98 -11.024 -13.720 3.435 1.00 63.13 O ATOM 1568 CB ALA A 98 -10.296 -11.192 5.272 1.00 64.03 C ATOM 0 H ALA A 98 -8.188 -10.559 4.063 1.00 53.31 H new ATOM 0 HA ALA A 98 -9.196 -13.035 5.100 1.00 72.20 H new ATOM 0 HB1 ALA A 98 -11.220 -11.669 5.600 1.00 64.03 H new ATOM 0 HB2 ALA A 98 -9.726 -10.868 6.143 1.00 64.03 H new ATOM 0 HB3 ALA A 98 -10.534 -10.328 4.652 1.00 64.03 H new ATOM 1574 N SER A 99 -10.156 -12.090 2.118 1.00 32.20 N ATOM 1575 CA SER A 99 -10.789 -12.531 0.862 1.00 42.41 C ATOM 1576 C SER A 99 -10.032 -13.740 0.287 1.00 41.33 C ATOM 1577 O SER A 99 -10.616 -14.573 -0.416 1.00 74.21 O ATOM 1578 CB SER A 99 -10.816 -11.366 -0.154 1.00 32.14 C ATOM 1579 OG SER A 99 -11.475 -11.728 -1.360 1.00 34.53 O ATOM 0 H SER A 99 -9.608 -11.236 2.020 1.00 32.20 H new ATOM 0 HA SER A 99 -11.816 -12.834 1.065 1.00 42.41 H new ATOM 0 HB2 SER A 99 -11.320 -10.508 0.291 1.00 32.14 H new ATOM 0 HB3 SER A 99 -9.795 -11.056 -0.377 1.00 32.14 H new ATOM 0 HG SER A 99 -11.473 -10.965 -1.976 1.00 34.53 H new ATOM 1585 N GLY A 100 -8.722 -13.815 0.602 1.00 2.00 N ATOM 1586 CA GLY A 100 -7.877 -14.924 0.182 1.00 32.25 C ATOM 1587 C GLY A 100 -7.498 -14.847 -1.286 1.00 3.43 C ATOM 1588 O GLY A 100 -7.580 -15.843 -2.014 1.00 70.55 O ATOM 0 H GLY A 100 -8.234 -13.107 1.151 1.00 2.00 H new ATOM 0 HA2 GLY A 100 -6.971 -14.934 0.787 1.00 32.25 H new ATOM 0 HA3 GLY A 100 -8.397 -15.863 0.370 1.00 32.25 H new ATOM 1592 N LEU A 101 -7.071 -13.649 -1.711 1.00 13.13 N ATOM 1593 CA LEU A 101 -6.672 -13.377 -3.104 1.00 42.32 C ATOM 1594 C LEU A 101 -5.130 -13.404 -3.224 1.00 21.34 C ATOM 1595 O LEU A 101 -4.440 -12.992 -2.281 1.00 64.22 O ATOM 1596 CB LEU A 101 -7.234 -12.003 -3.575 1.00 15.10 C ATOM 1597 CG LEU A 101 -8.787 -11.853 -3.570 1.00 11.50 C ATOM 1598 CD1 LEU A 101 -9.219 -10.450 -4.052 1.00 10.24 C ATOM 1599 CD2 LEU A 101 -9.463 -12.965 -4.397 1.00 0.05 C ATOM 0 H LEU A 101 -6.992 -12.837 -1.098 1.00 13.13 H new ATOM 0 HA LEU A 101 -7.088 -14.152 -3.748 1.00 42.32 H new ATOM 0 HB2 LEU A 101 -6.813 -11.225 -2.938 1.00 15.10 H new ATOM 0 HB3 LEU A 101 -6.875 -11.815 -4.587 1.00 15.10 H new ATOM 0 HG LEU A 101 -9.123 -11.963 -2.539 1.00 11.50 H new ATOM 0 HD11 LEU A 101 -10.307 -10.379 -4.036 1.00 10.24 H new ATOM 0 HD12 LEU A 101 -8.796 -9.692 -3.392 1.00 10.24 H new ATOM 0 HD13 LEU A 101 -8.859 -10.288 -5.068 1.00 10.24 H new ATOM 0 HD21 LEU A 101 -10.544 -12.830 -4.372 1.00 0.05 H new ATOM 0 HD22 LEU A 101 -9.114 -12.914 -5.429 1.00 0.05 H new ATOM 0 HD23 LEU A 101 -9.209 -13.938 -3.976 1.00 0.05 H new ATOM 1611 N PRO A 102 -4.565 -13.913 -4.366 1.00 53.21 N ATOM 1612 CA PRO A 102 -3.105 -13.842 -4.636 1.00 42.13 C ATOM 1613 C PRO A 102 -2.642 -12.375 -4.795 1.00 31.23 C ATOM 1614 O PRO A 102 -3.383 -11.545 -5.352 1.00 15.54 O ATOM 1615 CB PRO A 102 -2.936 -14.656 -5.948 1.00 24.03 C ATOM 1616 CG PRO A 102 -4.285 -14.638 -6.595 1.00 33.35 C ATOM 1617 CD PRO A 102 -5.290 -14.614 -5.466 1.00 2.21 C ATOM 0 HA PRO A 102 -2.497 -14.241 -3.824 1.00 42.13 H new ATOM 0 HB2 PRO A 102 -2.182 -14.208 -6.596 1.00 24.03 H new ATOM 0 HB3 PRO A 102 -2.612 -15.676 -5.740 1.00 24.03 H new ATOM 0 HG2 PRO A 102 -4.398 -13.764 -7.236 1.00 33.35 H new ATOM 0 HG3 PRO A 102 -4.427 -15.516 -7.225 1.00 33.35 H new ATOM 0 HD2 PRO A 102 -6.199 -14.083 -5.749 1.00 2.21 H new ATOM 0 HD3 PRO A 102 -5.587 -15.621 -5.172 1.00 2.21 H new ATOM 1625 N LEU A 103 -1.434 -12.068 -4.281 1.00 34.02 N ATOM 1626 CA LEU A 103 -0.870 -10.702 -4.275 1.00 63.51 C ATOM 1627 C LEU A 103 -0.748 -10.177 -5.719 1.00 24.22 C ATOM 1628 O LEU A 103 -1.216 -9.082 -6.017 1.00 5.20 O ATOM 1629 CB LEU A 103 0.497 -10.686 -3.504 1.00 33.51 C ATOM 1630 CG LEU A 103 1.013 -9.309 -2.927 1.00 51.01 C ATOM 1631 CD1 LEU A 103 1.467 -8.312 -4.018 1.00 31.15 C ATOM 1632 CD2 LEU A 103 -0.035 -8.660 -1.989 1.00 22.31 C ATOM 0 H LEU A 103 -0.819 -12.763 -3.857 1.00 34.02 H new ATOM 0 HA LEU A 103 -1.540 -10.026 -3.745 1.00 63.51 H new ATOM 0 HB2 LEU A 103 0.419 -11.387 -2.673 1.00 33.51 H new ATOM 0 HB3 LEU A 103 1.263 -11.073 -4.176 1.00 33.51 H new ATOM 0 HG LEU A 103 1.902 -9.550 -2.344 1.00 51.01 H new ATOM 0 HD11 LEU A 103 1.808 -7.389 -3.548 1.00 31.15 H new ATOM 0 HD12 LEU A 103 2.283 -8.749 -4.594 1.00 31.15 H new ATOM 0 HD13 LEU A 103 0.631 -8.093 -4.682 1.00 31.15 H new ATOM 0 HD21 LEU A 103 0.352 -7.714 -1.610 1.00 22.31 H new ATOM 0 HD22 LEU A 103 -0.956 -8.479 -2.543 1.00 22.31 H new ATOM 0 HD23 LEU A 103 -0.240 -9.329 -1.154 1.00 22.31 H new ATOM 1644 N VAL A 104 -0.171 -10.988 -6.622 1.00 50.20 N ATOM 1645 CA VAL A 104 0.025 -10.603 -8.038 1.00 60.44 C ATOM 1646 C VAL A 104 -0.856 -11.478 -8.941 1.00 75.31 C ATOM 1647 O VAL A 104 -0.648 -12.697 -9.032 1.00 11.20 O ATOM 1648 CB VAL A 104 1.529 -10.726 -8.493 1.00 41.33 C ATOM 1649 CG1 VAL A 104 1.738 -10.152 -9.916 1.00 33.31 C ATOM 1650 CG2 VAL A 104 2.480 -10.067 -7.478 1.00 74.43 C ATOM 0 H VAL A 104 0.172 -11.922 -6.398 1.00 50.20 H new ATOM 0 HA VAL A 104 -0.261 -9.555 -8.130 1.00 60.44 H new ATOM 0 HB VAL A 104 1.773 -11.788 -8.528 1.00 41.33 H new ATOM 0 HG11 VAL A 104 2.786 -10.253 -10.199 1.00 33.31 H new ATOM 0 HG12 VAL A 104 1.117 -10.700 -10.624 1.00 33.31 H new ATOM 0 HG13 VAL A 104 1.459 -9.099 -9.928 1.00 33.31 H new ATOM 0 HG21 VAL A 104 3.509 -10.170 -7.823 1.00 74.43 H new ATOM 0 HG22 VAL A 104 2.234 -9.009 -7.382 1.00 74.43 H new ATOM 0 HG23 VAL A 104 2.372 -10.554 -6.509 1.00 74.43 H new ATOM 1660 N THR A 105 -1.841 -10.854 -9.597 1.00 22.53 N ATOM 1661 CA THR A 105 -2.757 -11.529 -10.521 1.00 11.33 C ATOM 1662 C THR A 105 -2.337 -11.309 -11.988 1.00 64.12 C ATOM 1663 O THR A 105 -2.585 -12.171 -12.835 1.00 63.35 O ATOM 1664 CB THR A 105 -4.222 -11.047 -10.287 1.00 33.02 C ATOM 1665 OG1 THR A 105 -4.265 -9.606 -10.288 1.00 75.10 O ATOM 1666 CG2 THR A 105 -4.783 -11.582 -8.955 1.00 33.54 C ATOM 0 H THR A 105 -2.026 -9.856 -9.500 1.00 22.53 H new ATOM 0 HA THR A 105 -2.708 -12.599 -10.320 1.00 11.33 H new ATOM 0 HB THR A 105 -4.840 -11.436 -11.096 1.00 33.02 H new ATOM 0 HG1 THR A 105 -5.187 -9.306 -10.143 1.00 75.10 H new ATOM 0 HG21 THR A 105 -5.805 -11.228 -8.822 1.00 33.54 H new ATOM 0 HG22 THR A 105 -4.775 -12.672 -8.969 1.00 33.54 H new ATOM 0 HG23 THR A 105 -4.166 -11.225 -8.131 1.00 33.54 H new