USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 ASN : amide:sc=-0.00473 X(o=-0.21,f=-0.31) USER MOD Set 1.2: A 48 MET CE :methyl 166:sc= -0.206 (180deg=-0.336) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.0931 X(o=0.093,f=0) USER MOD Single : A 30 MET CE :methyl 160:sc=-0.00566 (180deg=-0.89) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl -165:sc= -0.439 (180deg=-1.23) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= 1.3 (180deg=1.12) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.13) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 149:sc= 0.435 (180deg=0.168) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.24) USER MOD Single : A 59 TYR OH : rot 1:sc= 0.58 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.0359 K(o=-0.036,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 330 N ASP A 23 -14.107 6.051 13.359 1.00 0.00 N ATOM 331 CA ASP A 23 -14.792 4.864 13.899 1.00 0.00 C ATOM 332 C ASP A 23 -13.954 3.568 13.818 1.00 0.00 C ATOM 333 O ASP A 23 -14.247 2.584 14.508 1.00 0.00 O ATOM 334 CB ASP A 23 -16.127 4.668 13.163 1.00 0.00 C ATOM 335 CG ASP A 23 -17.069 5.870 13.336 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.741 5.970 14.391 1.00 0.00 O ATOM 337 OD2 ASP A 23 -17.145 6.717 12.414 1.00 0.00 O ATOM 0 HA ASP A 23 -14.956 5.053 14.960 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.935 4.509 12.102 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.617 3.769 13.536 1.00 0.00 H new ATOM 342 N THR A 24 -12.892 3.544 13.007 1.00 0.00 N ATOM 343 CA THR A 24 -11.942 2.422 12.930 1.00 0.00 C ATOM 344 C THR A 24 -11.075 2.291 14.191 1.00 0.00 C ATOM 345 O THR A 24 -10.654 1.186 14.528 1.00 0.00 O ATOM 346 CB THR A 24 -11.066 2.492 11.665 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.870 2.762 10.536 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.323 1.165 11.437 1.00 0.00 C ATOM 0 H THR A 24 -12.662 4.312 12.376 1.00 0.00 H new ATOM 0 HA THR A 24 -12.551 1.520 12.865 1.00 0.00 H new ATOM 0 HB THR A 24 -10.337 3.290 11.806 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.306 2.807 9.736 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.711 1.240 10.538 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.684 0.954 12.294 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.047 0.359 11.317 1.00 0.00 H new ATOM 356 N ILE A 25 -10.864 3.385 14.939 1.00 0.00 N ATOM 357 CA ILE A 25 -10.159 3.378 16.235 1.00 0.00 C ATOM 358 C ILE A 25 -10.876 2.454 17.233 1.00 0.00 C ATOM 359 O ILE A 25 -10.241 1.608 17.866 1.00 0.00 O ATOM 360 CB ILE A 25 -10.013 4.821 16.787 1.00 0.00 C ATOM 361 CG1 ILE A 25 -9.059 5.659 15.900 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.508 4.820 18.243 1.00 0.00 C ATOM 363 CD1 ILE A 25 -9.199 7.175 16.085 1.00 0.00 C ATOM 0 H ILE A 25 -11.182 4.313 14.659 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.154 2.984 16.086 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.004 5.275 16.768 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.031 5.371 16.119 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.243 5.413 14.854 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.417 5.847 18.597 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.215 4.280 18.873 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.534 4.333 18.290 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.496 7.688 15.428 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.216 7.479 15.837 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.984 7.436 17.121 1.00 0.00 H new ATOM 375 N PHE A 26 -12.198 2.605 17.372 1.00 0.00 N ATOM 376 CA PHE A 26 -13.002 1.843 18.330 1.00 0.00 C ATOM 377 C PHE A 26 -13.196 0.371 17.917 1.00 0.00 C ATOM 378 O PHE A 26 -13.054 -0.524 18.753 1.00 0.00 O ATOM 379 CB PHE A 26 -14.348 2.558 18.537 1.00 0.00 C ATOM 380 CG PHE A 26 -15.297 1.908 19.536 1.00 0.00 C ATOM 381 CD1 PHE A 26 -14.829 1.429 20.778 1.00 0.00 C ATOM 382 CD2 PHE A 26 -16.670 1.802 19.231 1.00 0.00 C ATOM 383 CE1 PHE A 26 -15.718 0.829 21.690 1.00 0.00 C ATOM 384 CE2 PHE A 26 -17.559 1.213 20.148 1.00 0.00 C ATOM 385 CZ PHE A 26 -17.083 0.721 21.375 1.00 0.00 C ATOM 0 H PHE A 26 -12.743 3.265 16.817 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.460 1.807 19.275 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.149 3.579 18.864 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.854 2.625 17.574 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -13.783 1.523 21.030 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.041 2.175 18.288 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.350 0.451 22.633 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.610 1.139 19.909 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.765 0.261 22.075 1.00 0.00 H new ATOM 395 N GLN A 27 -13.503 0.100 16.640 1.00 0.00 N ATOM 396 CA GLN A 27 -13.821 -1.262 16.173 1.00 0.00 C ATOM 397 C GLN A 27 -12.615 -2.227 16.135 1.00 0.00 C ATOM 398 O GLN A 27 -12.817 -3.443 16.094 1.00 0.00 O ATOM 399 CB GLN A 27 -14.537 -1.203 14.811 1.00 0.00 C ATOM 400 CG GLN A 27 -13.584 -1.063 13.612 1.00 0.00 C ATOM 401 CD GLN A 27 -14.315 -0.709 12.318 1.00 0.00 C ATOM 402 OE1 GLN A 27 -14.382 -1.487 11.374 1.00 0.00 O ATOM 403 NE2 GLN A 27 -14.884 0.474 12.216 1.00 0.00 N ATOM 0 H GLN A 27 -13.538 0.809 15.907 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.491 -1.688 16.920 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.133 -2.107 14.685 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.230 -0.362 14.812 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.844 -0.293 13.829 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.040 -1.998 13.474 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.836 1.132 12.994 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.373 0.733 11.359 1.00 0.00 H new ATOM 412 N ASN A 28 -11.375 -1.713 16.126 1.00 0.00 N ATOM 413 CA ASN A 28 -10.153 -2.494 15.910 1.00 0.00 C ATOM 414 C ASN A 28 -9.068 -2.176 16.970 1.00 0.00 C ATOM 415 O ASN A 28 -8.325 -1.203 16.817 1.00 0.00 O ATOM 416 CB ASN A 28 -9.686 -2.272 14.458 1.00 0.00 C ATOM 417 CG ASN A 28 -8.735 -3.371 14.021 1.00 0.00 C ATOM 418 OD1 ASN A 28 -9.130 -4.494 13.748 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.454 -3.101 13.964 1.00 0.00 N ATOM 0 H ASN A 28 -11.193 -0.720 16.272 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.357 -3.556 16.043 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.550 -2.248 13.794 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.192 -1.304 14.375 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.791 -3.827 13.692 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.120 -2.165 14.191 1.00 0.00 H new ATOM 426 N PRO A 29 -8.943 -2.970 18.056 1.00 0.00 N ATOM 427 CA PRO A 29 -8.158 -2.607 19.246 1.00 0.00 C ATOM 428 C PRO A 29 -6.634 -2.548 19.033 1.00 0.00 C ATOM 429 O PRO A 29 -5.924 -1.958 19.849 1.00 0.00 O ATOM 430 CB PRO A 29 -8.536 -3.643 20.314 1.00 0.00 C ATOM 431 CG PRO A 29 -8.943 -4.865 19.497 1.00 0.00 C ATOM 432 CD PRO A 29 -9.617 -4.243 18.276 1.00 0.00 C ATOM 0 HA PRO A 29 -8.401 -1.585 19.537 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.697 -3.863 20.974 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.353 -3.291 20.943 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.081 -5.471 19.219 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.624 -5.513 20.049 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.523 -4.891 17.405 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.683 -4.096 18.450 1.00 0.00 H new ATOM 440 N MET A 30 -6.124 -3.089 17.919 1.00 0.00 N ATOM 441 CA MET A 30 -4.718 -2.962 17.497 1.00 0.00 C ATOM 442 C MET A 30 -4.271 -1.500 17.334 1.00 0.00 C ATOM 443 O MET A 30 -3.084 -1.201 17.464 1.00 0.00 O ATOM 444 CB MET A 30 -4.505 -3.689 16.160 1.00 0.00 C ATOM 445 CG MET A 30 -4.729 -5.205 16.239 1.00 0.00 C ATOM 446 SD MET A 30 -4.840 -6.050 14.634 1.00 0.00 S ATOM 447 CE MET A 30 -3.293 -5.534 13.842 1.00 0.00 C ATOM 0 H MET A 30 -6.687 -3.639 17.271 1.00 0.00 H new ATOM 0 HA MET A 30 -4.116 -3.411 18.287 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.182 -3.269 15.416 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.490 -3.498 15.811 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.913 -5.648 16.810 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.647 -5.393 16.796 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.049 -6.225 13.035 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.410 -4.529 13.436 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.489 -5.537 14.578 1.00 0.00 H new ATOM 457 N VAL A 31 -5.213 -0.582 17.079 1.00 0.00 N ATOM 458 CA VAL A 31 -4.941 0.856 16.954 1.00 0.00 C ATOM 459 C VAL A 31 -4.294 1.411 18.226 1.00 0.00 C ATOM 460 O VAL A 31 -3.193 1.947 18.158 1.00 0.00 O ATOM 461 CB VAL A 31 -6.208 1.642 16.550 1.00 0.00 C ATOM 462 CG1 VAL A 31 -5.961 3.156 16.554 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.663 1.234 15.141 1.00 0.00 C ATOM 0 H VAL A 31 -6.197 -0.820 16.952 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.221 0.989 16.146 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.978 1.403 17.284 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.875 3.675 16.265 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.664 3.474 17.554 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.168 3.397 15.846 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.557 1.796 14.870 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.869 1.448 14.426 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.887 0.167 15.126 1.00 0.00 H new ATOM 473 N GLN A 32 -4.930 1.251 19.389 1.00 0.00 N ATOM 474 CA GLN A 32 -4.432 1.811 20.655 1.00 0.00 C ATOM 475 C GLN A 32 -3.017 1.318 21.016 1.00 0.00 C ATOM 476 O GLN A 32 -2.193 2.100 21.492 1.00 0.00 O ATOM 477 CB GLN A 32 -5.422 1.511 21.794 1.00 0.00 C ATOM 478 CG GLN A 32 -6.802 2.150 21.556 1.00 0.00 C ATOM 479 CD GLN A 32 -7.685 2.059 22.799 1.00 0.00 C ATOM 480 OE1 GLN A 32 -8.373 1.076 23.041 1.00 0.00 O ATOM 481 NE2 GLN A 32 -7.698 3.073 23.641 1.00 0.00 N ATOM 0 H GLN A 32 -5.803 0.732 19.483 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.355 2.890 20.518 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.537 0.432 21.897 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.012 1.879 22.735 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.676 3.195 21.274 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.295 1.652 20.721 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.130 3.899 23.453 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.276 3.031 24.480 1.00 0.00 H new ATOM 490 N GLU A 33 -2.704 0.048 20.736 1.00 0.00 N ATOM 491 CA GLU A 33 -1.362 -0.530 20.907 1.00 0.00 C ATOM 492 C GLU A 33 -0.299 0.162 20.030 1.00 0.00 C ATOM 493 O GLU A 33 0.816 0.399 20.494 1.00 0.00 O ATOM 494 CB GLU A 33 -1.427 -2.043 20.633 1.00 0.00 C ATOM 495 CG GLU A 33 -0.088 -2.786 20.777 1.00 0.00 C ATOM 496 CD GLU A 33 0.564 -2.628 22.167 1.00 0.00 C ATOM 497 OE1 GLU A 33 -0.144 -2.743 23.196 1.00 0.00 O ATOM 498 OE2 GLU A 33 1.798 -2.413 22.242 1.00 0.00 O ATOM 0 H GLU A 33 -3.386 -0.620 20.378 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.046 -0.361 21.936 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.149 -2.490 21.316 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.805 -2.198 19.623 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.248 -3.846 20.579 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.603 -2.421 20.018 1.00 0.00 H new ATOM 505 N ALA A 34 -0.637 0.536 18.789 1.00 0.00 N ATOM 506 CA ALA A 34 0.258 1.291 17.910 1.00 0.00 C ATOM 507 C ALA A 34 0.598 2.684 18.486 1.00 0.00 C ATOM 508 O ALA A 34 1.779 2.993 18.657 1.00 0.00 O ATOM 509 CB ALA A 34 -0.338 1.351 16.498 1.00 0.00 C ATOM 0 H ALA A 34 -1.541 0.322 18.368 1.00 0.00 H new ATOM 0 HA ALA A 34 1.213 0.770 17.846 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.329 1.913 15.845 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.458 0.339 16.110 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.310 1.843 16.534 1.00 0.00 H new ATOM 515 N ILE A 35 -0.397 3.508 18.856 1.00 0.00 N ATOM 516 CA ILE A 35 -0.142 4.806 19.525 1.00 0.00 C ATOM 517 C ILE A 35 0.702 4.630 20.800 1.00 0.00 C ATOM 518 O ILE A 35 1.638 5.399 21.029 1.00 0.00 O ATOM 519 CB ILE A 35 -1.444 5.596 19.818 1.00 0.00 C ATOM 520 CG1 ILE A 35 -2.107 6.108 18.516 1.00 0.00 C ATOM 521 CG2 ILE A 35 -1.187 6.819 20.721 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.304 5.252 18.107 1.00 0.00 C ATOM 0 H ILE A 35 -1.385 3.304 18.706 1.00 0.00 H new ATOM 0 HA ILE A 35 0.435 5.405 18.820 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.105 4.893 20.326 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.430 7.140 18.655 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.371 6.110 17.712 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.126 7.343 20.900 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.769 6.488 21.672 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.484 7.492 20.230 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.738 5.648 17.189 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.977 4.225 17.941 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.052 5.271 18.899 1.00 0.00 H new ATOM 534 N ARG A 36 0.427 3.595 21.605 1.00 0.00 N ATOM 535 CA ARG A 36 1.181 3.254 22.825 1.00 0.00 C ATOM 536 C ARG A 36 2.690 3.026 22.594 1.00 0.00 C ATOM 537 O ARG A 36 3.474 3.292 23.506 1.00 0.00 O ATOM 538 CB ARG A 36 0.448 2.094 23.537 1.00 0.00 C ATOM 539 CG ARG A 36 1.228 1.388 24.658 1.00 0.00 C ATOM 540 CD ARG A 36 2.065 0.223 24.103 1.00 0.00 C ATOM 541 NE ARG A 36 3.341 0.056 24.817 1.00 0.00 N ATOM 542 CZ ARG A 36 4.282 -0.824 24.529 1.00 0.00 C ATOM 543 NH1 ARG A 36 4.133 -1.732 23.606 1.00 0.00 N ATOM 544 NH2 ARG A 36 5.415 -0.804 25.172 1.00 0.00 N ATOM 0 H ARG A 36 -0.345 2.954 21.424 1.00 0.00 H new ATOM 0 HA ARG A 36 1.191 4.116 23.493 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.481 2.481 23.956 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.174 1.350 22.789 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.881 2.104 25.157 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.532 1.014 25.409 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.489 -0.700 24.174 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.264 0.394 23.045 1.00 0.00 H new ATOM 0 HE ARG A 36 3.514 0.677 25.607 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.264 -1.781 23.075 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.886 -2.393 23.415 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.576 -0.108 25.900 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.141 -1.485 24.948 1.00 0.00 H new ATOM 558 N MET A 37 3.130 2.615 21.397 1.00 0.00 N ATOM 559 CA MET A 37 4.565 2.537 21.056 1.00 0.00 C ATOM 560 C MET A 37 5.218 3.893 20.708 1.00 0.00 C ATOM 561 O MET A 37 6.445 3.967 20.598 1.00 0.00 O ATOM 562 CB MET A 37 4.814 1.559 19.897 1.00 0.00 C ATOM 563 CG MET A 37 4.332 0.130 20.176 1.00 0.00 C ATOM 564 SD MET A 37 5.325 -1.182 19.401 1.00 0.00 S ATOM 565 CE MET A 37 5.581 -0.502 17.737 1.00 0.00 C ATOM 0 H MET A 37 2.510 2.328 20.640 1.00 0.00 H new ATOM 0 HA MET A 37 5.037 2.178 21.970 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.313 1.933 19.004 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.881 1.536 19.677 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.324 -0.030 21.254 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.302 0.036 19.832 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.934 -1.290 17.072 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.640 -0.102 17.358 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.323 0.296 17.780 1.00 0.00 H new ATOM 575 N GLY A 38 4.433 4.962 20.535 1.00 0.00 N ATOM 576 CA GLY A 38 4.891 6.331 20.250 1.00 0.00 C ATOM 577 C GLY A 38 4.399 6.929 18.921 1.00 0.00 C ATOM 578 O GLY A 38 4.706 8.090 18.635 1.00 0.00 O ATOM 0 H GLY A 38 3.417 4.896 20.592 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.567 6.981 21.063 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.981 6.339 20.251 1.00 0.00 H new ATOM 582 N PHE A 39 3.649 6.178 18.104 1.00 0.00 N ATOM 583 CA PHE A 39 3.012 6.694 16.881 1.00 0.00 C ATOM 584 C PHE A 39 1.882 7.707 17.177 1.00 0.00 C ATOM 585 O PHE A 39 1.342 7.766 18.283 1.00 0.00 O ATOM 586 CB PHE A 39 2.456 5.519 16.062 1.00 0.00 C ATOM 587 CG PHE A 39 3.480 4.628 15.382 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.160 5.089 14.237 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.708 3.315 15.838 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.060 4.246 13.560 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.599 2.469 15.158 1.00 0.00 C ATOM 592 CZ PHE A 39 5.272 2.934 14.017 1.00 0.00 C ATOM 0 H PHE A 39 3.465 5.189 18.272 1.00 0.00 H new ATOM 0 HA PHE A 39 3.776 7.227 16.315 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.848 4.900 16.722 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.790 5.920 15.298 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.990 6.093 13.878 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.194 2.956 16.717 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.588 4.607 12.690 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.766 1.462 15.512 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.953 2.283 13.490 1.00 0.00 H new ATOM 602 N SER A 40 1.484 8.483 16.164 1.00 0.00 N ATOM 603 CA SER A 40 0.382 9.461 16.224 1.00 0.00 C ATOM 604 C SER A 40 -0.972 8.827 15.870 1.00 0.00 C ATOM 605 O SER A 40 -1.048 8.022 14.941 1.00 0.00 O ATOM 606 CB SER A 40 0.653 10.598 15.227 1.00 0.00 C ATOM 607 OG SER A 40 1.921 11.199 15.457 1.00 0.00 O ATOM 0 H SER A 40 1.932 8.450 15.248 1.00 0.00 H new ATOM 0 HA SER A 40 0.335 9.834 17.247 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.612 10.209 14.210 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.129 11.352 15.312 1.00 0.00 H new ATOM 0 HG SER A 40 2.065 11.917 14.806 1.00 0.00 H new ATOM 613 N PHE A 41 -2.063 9.237 16.532 1.00 0.00 N ATOM 614 CA PHE A 41 -3.431 8.756 16.247 1.00 0.00 C ATOM 615 C PHE A 41 -3.827 8.906 14.771 1.00 0.00 C ATOM 616 O PHE A 41 -4.338 7.954 14.170 1.00 0.00 O ATOM 617 CB PHE A 41 -4.457 9.454 17.160 1.00 0.00 C ATOM 618 CG PHE A 41 -4.923 8.610 18.334 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.860 7.580 18.120 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.430 8.845 19.631 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.290 6.782 19.196 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.863 8.047 20.706 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.790 7.013 20.489 1.00 0.00 C ATOM 0 H PHE A 41 -2.025 9.919 17.289 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.433 7.687 16.461 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.019 10.376 17.542 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.324 9.736 16.563 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.249 7.403 17.128 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.718 9.639 19.802 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.005 5.991 19.028 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.482 8.229 21.700 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.117 6.397 21.314 1.00 0.00 H new ATOM 633 N LYS A 42 -3.555 10.077 14.179 1.00 0.00 N ATOM 634 CA LYS A 42 -3.788 10.396 12.759 1.00 0.00 C ATOM 635 C LYS A 42 -3.136 9.377 11.819 1.00 0.00 C ATOM 636 O LYS A 42 -3.781 8.916 10.883 1.00 0.00 O ATOM 637 CB LYS A 42 -3.351 11.849 12.484 1.00 0.00 C ATOM 638 CG LYS A 42 -3.559 12.316 11.028 1.00 0.00 C ATOM 639 CD LYS A 42 -2.336 12.100 10.119 1.00 0.00 C ATOM 640 CE LYS A 42 -1.183 13.042 10.496 1.00 0.00 C ATOM 641 NZ LYS A 42 0.135 12.490 10.089 1.00 0.00 N ATOM 0 H LYS A 42 -3.151 10.860 14.694 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.855 10.321 12.548 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.905 12.513 13.148 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.296 11.952 12.738 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.411 11.784 10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.814 13.376 11.030 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.002 11.065 10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.619 12.267 9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.334 14.011 10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.189 13.212 11.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.862 13.230 10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.382 11.691 10.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.085 12.163 9.103 1.00 0.00 H new ATOM 655 N ASP A 43 -1.883 9.004 12.070 1.00 0.00 N ATOM 656 CA ASP A 43 -1.154 8.018 11.262 1.00 0.00 C ATOM 657 C ASP A 43 -1.841 6.645 11.289 1.00 0.00 C ATOM 658 O ASP A 43 -1.993 6.015 10.241 1.00 0.00 O ATOM 659 CB ASP A 43 0.309 7.892 11.724 1.00 0.00 C ATOM 660 CG ASP A 43 1.176 9.078 11.281 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.787 10.244 11.530 1.00 0.00 O ATOM 662 OD2 ASP A 43 2.244 8.854 10.666 1.00 0.00 O ATOM 0 H ASP A 43 -1.337 9.379 12.846 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.162 8.379 10.234 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.337 7.813 12.811 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.733 6.970 11.327 1.00 0.00 H new ATOM 667 N ILE A 44 -2.298 6.192 12.466 1.00 0.00 N ATOM 668 CA ILE A 44 -2.945 4.880 12.587 1.00 0.00 C ATOM 669 C ILE A 44 -4.318 4.860 11.907 1.00 0.00 C ATOM 670 O ILE A 44 -4.583 3.962 11.107 1.00 0.00 O ATOM 671 CB ILE A 44 -3.062 4.365 14.035 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.887 4.696 14.976 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.235 2.836 13.961 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.496 4.402 14.424 1.00 0.00 C ATOM 0 H ILE A 44 -2.232 6.712 13.341 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.277 4.193 12.067 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.912 4.885 14.477 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.939 5.754 15.235 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.017 4.135 15.901 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.322 2.430 14.969 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.136 2.599 13.396 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.370 2.395 13.466 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.255 4.672 15.167 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.413 3.340 14.193 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.334 4.984 13.517 1.00 0.00 H new ATOM 686 N LYS A 45 -5.195 5.848 12.172 1.00 0.00 N ATOM 687 CA LYS A 45 -6.488 5.936 11.464 1.00 0.00 C ATOM 688 C LYS A 45 -6.299 6.041 9.950 1.00 0.00 C ATOM 689 O LYS A 45 -7.034 5.385 9.215 1.00 0.00 O ATOM 690 CB LYS A 45 -7.427 7.014 12.055 1.00 0.00 C ATOM 691 CG LYS A 45 -6.953 8.477 11.990 1.00 0.00 C ATOM 692 CD LYS A 45 -7.196 9.223 10.663 1.00 0.00 C ATOM 693 CE LYS A 45 -8.599 9.829 10.566 1.00 0.00 C ATOM 694 NZ LYS A 45 -8.875 10.315 9.191 1.00 0.00 N ATOM 0 H LYS A 45 -5.036 6.585 12.859 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.011 4.995 11.635 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.385 6.947 11.539 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.610 6.765 13.100 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.448 9.031 12.788 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.884 8.499 12.202 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.456 10.016 10.557 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.046 8.534 9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.342 9.082 10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.692 10.654 11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.746 10.883 9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.080 10.900 8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.993 9.502 8.553 1.00 0.00 H new ATOM 708 N LYS A 46 -5.286 6.788 9.486 1.00 0.00 N ATOM 709 CA LYS A 46 -4.968 6.959 8.059 1.00 0.00 C ATOM 710 C LYS A 46 -4.541 5.643 7.414 1.00 0.00 C ATOM 711 O LYS A 46 -5.082 5.280 6.371 1.00 0.00 O ATOM 712 CB LYS A 46 -3.915 8.073 7.866 1.00 0.00 C ATOM 713 CG LYS A 46 -3.524 8.323 6.398 1.00 0.00 C ATOM 714 CD LYS A 46 -4.679 8.863 5.530 1.00 0.00 C ATOM 715 CE LYS A 46 -4.820 8.108 4.199 1.00 0.00 C ATOM 716 NZ LYS A 46 -3.700 8.390 3.262 1.00 0.00 N ATOM 0 H LYS A 46 -4.654 7.299 10.102 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.876 7.273 7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.301 9.000 8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.019 7.813 8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.697 9.032 6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.161 7.391 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.613 8.788 6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.513 9.921 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.864 7.037 4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.763 8.384 3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.842 7.857 2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.672 9.408 3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.801 8.102 3.699 1.00 0.00 H new ATOM 730 N ILE A 47 -3.586 4.924 8.012 1.00 0.00 N ATOM 731 CA ILE A 47 -3.127 3.652 7.448 1.00 0.00 C ATOM 732 C ILE A 47 -4.223 2.575 7.488 1.00 0.00 C ATOM 733 O ILE A 47 -4.373 1.831 6.523 1.00 0.00 O ATOM 734 CB ILE A 47 -1.795 3.191 8.078 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.027 2.372 7.024 1.00 0.00 C ATOM 736 CG2 ILE A 47 -1.958 2.411 9.394 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.400 2.032 7.443 1.00 0.00 C ATOM 0 H ILE A 47 -3.120 5.198 8.877 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.916 3.821 6.392 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.231 4.079 8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.570 1.448 6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.000 2.932 6.089 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.976 2.124 9.771 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.459 3.040 10.130 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.554 1.516 9.215 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.883 1.455 6.655 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.959 2.953 7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.380 1.446 8.362 1.00 0.00 H new ATOM 749 N MET A 48 -5.030 2.537 8.551 1.00 0.00 N ATOM 750 CA MET A 48 -6.206 1.664 8.657 1.00 0.00 C ATOM 751 C MET A 48 -7.235 1.955 7.560 1.00 0.00 C ATOM 752 O MET A 48 -7.547 1.055 6.782 1.00 0.00 O ATOM 753 CB MET A 48 -6.845 1.783 10.048 1.00 0.00 C ATOM 754 CG MET A 48 -6.086 0.985 11.113 1.00 0.00 C ATOM 755 SD MET A 48 -6.346 -0.809 11.011 1.00 0.00 S ATOM 756 CE MET A 48 -5.119 -1.338 12.233 1.00 0.00 C ATOM 0 H MET A 48 -4.884 3.120 9.375 1.00 0.00 H new ATOM 0 HA MET A 48 -5.864 0.638 8.517 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.878 2.833 10.340 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.876 1.432 10.002 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.020 1.194 11.019 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.393 1.331 12.100 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.294 -2.381 12.496 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.119 -1.232 11.813 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.205 -0.719 13.126 1.00 0.00 H new ATOM 766 N GLU A 49 -7.761 3.182 7.469 1.00 0.00 N ATOM 767 CA GLU A 49 -8.787 3.518 6.473 1.00 0.00 C ATOM 768 C GLU A 49 -8.308 3.265 5.032 1.00 0.00 C ATOM 769 O GLU A 49 -9.056 2.707 4.229 1.00 0.00 O ATOM 770 CB GLU A 49 -9.354 4.943 6.674 1.00 0.00 C ATOM 771 CG GLU A 49 -8.441 6.098 6.232 1.00 0.00 C ATOM 772 CD GLU A 49 -9.059 7.476 6.534 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.031 7.874 5.849 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.548 8.197 7.426 1.00 0.00 O ATOM 0 H GLU A 49 -7.493 3.959 8.073 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.620 2.834 6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.294 5.019 6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.588 5.074 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.480 6.014 6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.246 6.016 5.163 1.00 0.00 H new ATOM 781 N GLU A 50 -7.049 3.590 4.711 1.00 0.00 N ATOM 782 CA GLU A 50 -6.447 3.337 3.396 1.00 0.00 C ATOM 783 C GLU A 50 -6.281 1.833 3.114 1.00 0.00 C ATOM 784 O GLU A 50 -6.705 1.360 2.057 1.00 0.00 O ATOM 785 CB GLU A 50 -5.127 4.124 3.291 1.00 0.00 C ATOM 786 CG GLU A 50 -4.634 4.362 1.851 1.00 0.00 C ATOM 787 CD GLU A 50 -3.712 3.274 1.257 1.00 0.00 C ATOM 788 OE1 GLU A 50 -3.398 2.261 1.923 1.00 0.00 O ATOM 789 OE2 GLU A 50 -3.257 3.462 0.101 1.00 0.00 O ATOM 0 H GLU A 50 -6.412 4.042 5.366 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.119 3.693 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.255 5.089 3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.354 3.587 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.505 4.464 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.103 5.313 1.824 1.00 0.00 H new ATOM 796 N LYS A 51 -5.752 1.052 4.069 1.00 0.00 N ATOM 797 CA LYS A 51 -5.619 -0.412 3.957 1.00 0.00 C ATOM 798 C LYS A 51 -6.964 -1.096 3.719 1.00 0.00 C ATOM 799 O LYS A 51 -7.079 -1.896 2.795 1.00 0.00 O ATOM 800 CB LYS A 51 -4.900 -0.976 5.200 1.00 0.00 C ATOM 801 CG LYS A 51 -4.686 -2.501 5.191 1.00 0.00 C ATOM 802 CD LYS A 51 -3.871 -2.984 3.982 1.00 0.00 C ATOM 803 CE LYS A 51 -3.507 -4.470 4.103 1.00 0.00 C ATOM 804 NZ LYS A 51 -2.327 -4.682 4.984 1.00 0.00 N ATOM 0 H LYS A 51 -5.400 1.422 4.952 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.009 -0.629 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.930 -0.488 5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.476 -0.710 6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.176 -2.796 6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.656 -2.999 5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.443 -2.822 3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.960 -2.392 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.360 -5.022 4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.298 -4.874 3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.410 -5.603 5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.459 -4.666 4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.286 -3.926 5.697 1.00 0.00 H new ATOM 818 N ILE A 52 -7.987 -0.764 4.508 1.00 0.00 N ATOM 819 CA ILE A 52 -9.344 -1.317 4.367 1.00 0.00 C ATOM 820 C ILE A 52 -9.957 -0.922 3.010 1.00 0.00 C ATOM 821 O ILE A 52 -10.509 -1.776 2.321 1.00 0.00 O ATOM 822 CB ILE A 52 -10.244 -0.881 5.547 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.675 -1.345 6.908 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.669 -1.448 5.394 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.209 -0.505 8.072 1.00 0.00 C ATOM 0 H ILE A 52 -7.900 -0.096 5.274 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.275 -2.404 4.393 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.273 0.208 5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.931 -2.392 7.070 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.587 -1.283 6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.281 -1.126 6.237 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.108 -1.082 4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.627 -2.537 5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.782 -0.867 9.008 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.930 0.538 7.926 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.295 -0.588 8.112 1.00 0.00 H new ATOM 837 N GLN A 53 -9.829 0.344 2.597 1.00 0.00 N ATOM 838 CA GLN A 53 -10.329 0.853 1.313 1.00 0.00 C ATOM 839 C GLN A 53 -9.713 0.132 0.096 1.00 0.00 C ATOM 840 O GLN A 53 -10.431 -0.198 -0.853 1.00 0.00 O ATOM 841 CB GLN A 53 -10.082 2.372 1.269 1.00 0.00 C ATOM 842 CG GLN A 53 -10.614 3.068 0.008 1.00 0.00 C ATOM 843 CD GLN A 53 -10.470 4.590 0.100 1.00 0.00 C ATOM 844 OE1 GLN A 53 -9.425 5.132 0.437 1.00 0.00 O ATOM 845 NE2 GLN A 53 -11.509 5.347 -0.190 1.00 0.00 N ATOM 0 H GLN A 53 -9.365 1.059 3.157 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.397 0.648 1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.546 2.828 2.143 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.010 2.555 1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.073 2.703 -0.865 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.663 2.809 -0.136 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.390 4.917 -0.473 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.432 6.362 -0.131 1.00 0.00 H new ATOM 854 N ILE A 54 -8.399 -0.118 0.110 1.00 0.00 N ATOM 855 CA ILE A 54 -7.651 -0.740 -0.996 1.00 0.00 C ATOM 856 C ILE A 54 -7.728 -2.281 -0.960 1.00 0.00 C ATOM 857 O ILE A 54 -8.081 -2.902 -1.963 1.00 0.00 O ATOM 858 CB ILE A 54 -6.192 -0.217 -0.994 1.00 0.00 C ATOM 859 CG1 ILE A 54 -6.113 1.316 -1.212 1.00 0.00 C ATOM 860 CG2 ILE A 54 -5.314 -0.936 -2.035 1.00 0.00 C ATOM 861 CD1 ILE A 54 -6.508 1.831 -2.605 1.00 0.00 C ATOM 0 H ILE A 54 -7.809 0.111 0.909 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.117 -0.450 -1.938 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.803 -0.441 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.755 1.799 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.092 1.638 -1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.301 -0.535 -1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.291 -2.004 -1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.728 -0.779 -3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.412 2.916 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.852 1.389 -3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.541 1.553 -2.816 1.00 0.00 H new ATOM 873 N SER A 55 -7.393 -2.909 0.175 1.00 0.00 N ATOM 874 CA SER A 55 -7.291 -4.373 0.332 1.00 0.00 C ATOM 875 C SER A 55 -8.628 -5.063 0.653 1.00 0.00 C ATOM 876 O SER A 55 -8.855 -6.198 0.231 1.00 0.00 O ATOM 877 CB SER A 55 -6.280 -4.688 1.445 1.00 0.00 C ATOM 878 OG SER A 55 -5.874 -6.048 1.429 1.00 0.00 O ATOM 0 H SER A 55 -7.179 -2.403 1.034 1.00 0.00 H new ATOM 0 HA SER A 55 -6.965 -4.767 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.405 -4.048 1.331 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.723 -4.454 2.413 1.00 0.00 H new ATOM 0 HG SER A 55 -5.230 -6.206 2.151 1.00 0.00 H new ATOM 884 N GLY A 56 -9.516 -4.391 1.399 1.00 0.00 N ATOM 885 CA GLY A 56 -10.854 -4.867 1.784 1.00 0.00 C ATOM 886 C GLY A 56 -11.043 -5.184 3.278 1.00 0.00 C ATOM 887 O GLY A 56 -12.182 -5.364 3.717 1.00 0.00 O ATOM 0 H GLY A 56 -9.314 -3.461 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.585 -4.112 1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.080 -5.765 1.209 1.00 0.00 H new ATOM 891 N SER A 57 -9.966 -5.253 4.073 1.00 0.00 N ATOM 892 CA SER A 57 -9.992 -5.603 5.508 1.00 0.00 C ATOM 893 C SER A 57 -8.857 -4.952 6.320 1.00 0.00 C ATOM 894 O SER A 57 -7.922 -4.376 5.758 1.00 0.00 O ATOM 895 CB SER A 57 -9.962 -7.135 5.668 1.00 0.00 C ATOM 896 OG SER A 57 -8.798 -7.714 5.088 1.00 0.00 O ATOM 0 H SER A 57 -9.025 -5.062 3.730 1.00 0.00 H new ATOM 0 HA SER A 57 -10.920 -5.202 5.916 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.003 -7.389 6.727 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.849 -7.565 5.203 1.00 0.00 H new ATOM 0 HG SER A 57 -8.819 -8.686 5.214 1.00 0.00 H new ATOM 902 N ASN A 58 -8.938 -5.043 7.655 1.00 0.00 N ATOM 903 CA ASN A 58 -7.920 -4.570 8.605 1.00 0.00 C ATOM 904 C ASN A 58 -6.612 -5.394 8.546 1.00 0.00 C ATOM 905 O ASN A 58 -6.551 -6.470 7.943 1.00 0.00 O ATOM 906 CB ASN A 58 -8.512 -4.614 10.032 1.00 0.00 C ATOM 907 CG ASN A 58 -9.715 -3.704 10.227 1.00 0.00 C ATOM 908 OD1 ASN A 58 -10.834 -4.029 9.857 1.00 0.00 O ATOM 909 ND2 ASN A 58 -9.529 -2.541 10.804 1.00 0.00 N ATOM 0 H ASN A 58 -9.743 -5.463 8.120 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.654 -3.550 8.329 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.802 -5.639 10.263 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -7.737 -4.334 10.745 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.317 -1.909 10.944 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.596 -2.269 11.113 1.00 0.00 H new ATOM 916 N TYR A 59 -5.571 -4.909 9.231 1.00 0.00 N ATOM 917 CA TYR A 59 -4.304 -5.621 9.449 1.00 0.00 C ATOM 918 C TYR A 59 -4.473 -6.929 10.255 1.00 0.00 C ATOM 919 O TYR A 59 -5.341 -7.033 11.126 1.00 0.00 O ATOM 920 CB TYR A 59 -3.316 -4.669 10.147 1.00 0.00 C ATOM 921 CG TYR A 59 -2.691 -3.668 9.196 1.00 0.00 C ATOM 922 CD1 TYR A 59 -1.537 -4.044 8.485 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.262 -2.398 8.984 1.00 0.00 C ATOM 924 CE1 TYR A 59 -0.963 -3.164 7.556 1.00 0.00 C ATOM 925 CE2 TYR A 59 -2.690 -1.513 8.049 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.546 -1.901 7.319 1.00 0.00 C ATOM 927 OH TYR A 59 -1.040 -1.094 6.349 1.00 0.00 O ATOM 0 H TYR A 59 -5.585 -3.985 9.662 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.916 -5.923 8.476 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.835 -4.133 10.941 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.528 -5.254 10.620 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.092 -5.013 8.655 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.140 -2.102 9.539 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.071 -3.454 7.020 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.127 -0.538 7.891 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.287 -1.542 5.911 1.00 0.00 H new ATOM 937 N LYS A 60 -3.607 -7.920 9.981 1.00 0.00 N ATOM 938 CA LYS A 60 -3.571 -9.241 10.644 1.00 0.00 C ATOM 939 C LYS A 60 -3.039 -9.177 12.079 1.00 0.00 C ATOM 940 O LYS A 60 -3.677 -9.683 13.003 1.00 0.00 O ATOM 941 CB LYS A 60 -2.715 -10.217 9.815 1.00 0.00 C ATOM 942 CG LYS A 60 -3.451 -10.723 8.562 1.00 0.00 C ATOM 943 CD LYS A 60 -2.556 -11.619 7.684 1.00 0.00 C ATOM 944 CE LYS A 60 -1.496 -10.818 6.908 1.00 0.00 C ATOM 945 NZ LYS A 60 -2.066 -10.148 5.708 1.00 0.00 N ATOM 0 H LYS A 60 -2.886 -7.822 9.266 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.600 -9.594 10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.791 -9.722 9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.434 -11.067 10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.337 -11.282 8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.796 -9.871 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.059 -12.358 8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.179 -12.169 6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.056 -10.069 7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.691 -11.486 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.317 -9.620 5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.463 -10.864 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.817 -9.491 6.001 1.00 0.00 H new ATOM 959 N SER A 61 -1.856 -8.588 12.256 1.00 0.00 N ATOM 960 CA SER A 61 -1.115 -8.493 13.528 1.00 0.00 C ATOM 961 C SER A 61 -0.311 -7.189 13.599 1.00 0.00 C ATOM 962 O SER A 61 -0.081 -6.537 12.575 1.00 0.00 O ATOM 963 CB SER A 61 -0.159 -9.694 13.743 1.00 0.00 C ATOM 964 OG SER A 61 -0.217 -10.687 12.726 1.00 0.00 O ATOM 0 H SER A 61 -1.360 -8.141 11.485 1.00 0.00 H new ATOM 0 HA SER A 61 -1.863 -8.506 14.321 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.863 -9.321 13.810 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.392 -10.160 14.701 1.00 0.00 H new ATOM 0 HG SER A 61 0.415 -11.406 12.935 1.00 0.00 H new ATOM 970 N LEU A 62 0.152 -6.824 14.801 1.00 0.00 N ATOM 971 CA LEU A 62 0.939 -5.605 15.025 1.00 0.00 C ATOM 972 C LEU A 62 2.226 -5.587 14.189 1.00 0.00 C ATOM 973 O LEU A 62 2.586 -4.530 13.685 1.00 0.00 O ATOM 974 CB LEU A 62 1.271 -5.412 16.520 1.00 0.00 C ATOM 975 CG LEU A 62 0.136 -4.963 17.464 1.00 0.00 C ATOM 976 CD1 LEU A 62 -0.579 -3.705 16.968 1.00 0.00 C ATOM 977 CD2 LEU A 62 -0.911 -6.049 17.721 1.00 0.00 C ATOM 0 H LEU A 62 -0.009 -7.368 15.649 1.00 0.00 H new ATOM 0 HA LEU A 62 0.317 -4.771 14.699 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.666 -6.355 16.898 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.074 -4.678 16.591 1.00 0.00 H new ATOM 0 HG LEU A 62 0.645 -4.745 18.403 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.368 -3.434 17.670 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.136 -2.886 16.892 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.016 -3.897 15.988 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.678 -5.663 18.393 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.370 -6.343 16.777 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.432 -6.916 18.177 1.00 0.00 H new ATOM 989 N GLU A 63 2.873 -6.737 13.971 1.00 0.00 N ATOM 990 CA GLU A 63 4.063 -6.884 13.113 1.00 0.00 C ATOM 991 C GLU A 63 3.882 -6.233 11.733 1.00 0.00 C ATOM 992 O GLU A 63 4.705 -5.419 11.313 1.00 0.00 O ATOM 993 CB GLU A 63 4.395 -8.377 12.932 1.00 0.00 C ATOM 994 CG GLU A 63 4.957 -9.057 14.189 1.00 0.00 C ATOM 995 CD GLU A 63 6.386 -8.575 14.507 1.00 0.00 C ATOM 996 OE1 GLU A 63 7.354 -9.076 13.883 1.00 0.00 O ATOM 997 OE2 GLU A 63 6.556 -7.698 15.388 1.00 0.00 O ATOM 0 H GLU A 63 2.579 -7.617 14.396 1.00 0.00 H new ATOM 0 HA GLU A 63 4.882 -6.369 13.614 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.492 -8.903 12.622 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.118 -8.481 12.123 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.305 -8.849 15.038 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.960 -10.138 14.047 1.00 0.00 H new ATOM 1004 N VAL A 64 2.794 -6.574 11.033 1.00 0.00 N ATOM 1005 CA VAL A 64 2.463 -6.020 9.710 1.00 0.00 C ATOM 1006 C VAL A 64 2.065 -4.542 9.817 1.00 0.00 C ATOM 1007 O VAL A 64 2.506 -3.723 9.019 1.00 0.00 O ATOM 1008 CB VAL A 64 1.348 -6.829 9.013 1.00 0.00 C ATOM 1009 CG1 VAL A 64 1.243 -6.453 7.530 1.00 0.00 C ATOM 1010 CG2 VAL A 64 1.587 -8.345 9.073 1.00 0.00 C ATOM 0 H VAL A 64 2.109 -7.250 11.371 1.00 0.00 H new ATOM 0 HA VAL A 64 3.361 -6.095 9.097 1.00 0.00 H new ATOM 0 HB VAL A 64 0.433 -6.583 9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.450 -7.037 7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.014 -5.391 7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.190 -6.663 7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.772 -8.862 8.567 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.529 -8.585 8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.630 -8.666 10.114 1.00 0.00 H new ATOM 1020 N LEU A 65 1.260 -4.198 10.841 1.00 0.00 N ATOM 1021 CA LEU A 65 0.791 -2.832 11.093 1.00 0.00 C ATOM 1022 C LEU A 65 1.973 -1.850 11.258 1.00 0.00 C ATOM 1023 O LEU A 65 2.067 -0.860 10.533 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.152 -2.826 12.325 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.353 -1.849 12.263 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -1.935 -1.633 13.670 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.031 -0.483 11.658 1.00 0.00 C ATOM 0 H LEU A 65 0.916 -4.874 11.522 1.00 0.00 H new ATOM 0 HA LEU A 65 0.225 -2.485 10.228 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.539 -3.835 12.465 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.440 -2.586 13.208 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.073 -2.328 11.600 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.778 -0.945 13.613 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.272 -2.587 14.075 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.168 -1.214 14.321 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.929 0.134 11.655 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.258 0.005 12.251 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.676 -0.612 10.636 1.00 0.00 H new ATOM 1039 N VAL A 66 2.895 -2.125 12.190 1.00 0.00 N ATOM 1040 CA VAL A 66 4.036 -1.248 12.526 1.00 0.00 C ATOM 1041 C VAL A 66 5.087 -1.181 11.416 1.00 0.00 C ATOM 1042 O VAL A 66 5.656 -0.114 11.189 1.00 0.00 O ATOM 1043 CB VAL A 66 4.676 -1.578 13.890 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.614 -1.592 15.002 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.491 -2.878 13.909 1.00 0.00 C ATOM 0 H VAL A 66 2.872 -2.980 12.746 1.00 0.00 H new ATOM 0 HA VAL A 66 3.605 -0.251 12.615 1.00 0.00 H new ATOM 0 HB VAL A 66 5.392 -0.777 14.075 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.088 -1.827 15.955 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.140 -0.613 15.064 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.860 -2.346 14.776 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.905 -3.033 14.905 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.845 -3.717 13.650 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.303 -2.809 13.185 1.00 0.00 H new ATOM 1055 N ALA A 67 5.308 -2.277 10.681 1.00 0.00 N ATOM 1056 CA ALA A 67 6.163 -2.296 9.492 1.00 0.00 C ATOM 1057 C ALA A 67 5.620 -1.362 8.394 1.00 0.00 C ATOM 1058 O ALA A 67 6.357 -0.519 7.870 1.00 0.00 O ATOM 1059 CB ALA A 67 6.291 -3.739 8.991 1.00 0.00 C ATOM 0 H ALA A 67 4.894 -3.183 10.898 1.00 0.00 H new ATOM 0 HA ALA A 67 7.152 -1.922 9.756 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.926 -3.762 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.734 -4.357 9.772 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.304 -4.126 8.739 1.00 0.00 H new ATOM 1065 N ASP A 68 4.333 -1.472 8.068 1.00 0.00 N ATOM 1066 CA ASP A 68 3.684 -0.595 7.089 1.00 0.00 C ATOM 1067 C ASP A 68 3.612 0.867 7.574 1.00 0.00 C ATOM 1068 O ASP A 68 3.798 1.770 6.762 1.00 0.00 O ATOM 1069 CB ASP A 68 2.294 -1.131 6.716 1.00 0.00 C ATOM 1070 CG ASP A 68 2.300 -2.279 5.688 1.00 0.00 C ATOM 1071 OD1 ASP A 68 3.345 -2.932 5.450 1.00 0.00 O ATOM 1072 OD2 ASP A 68 1.227 -2.514 5.080 1.00 0.00 O ATOM 0 H ASP A 68 3.710 -2.170 8.473 1.00 0.00 H new ATOM 0 HA ASP A 68 4.302 -0.596 6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.798 -1.476 7.623 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.697 -0.310 6.319 1.00 0.00 H new ATOM 1077 N LEU A 69 3.420 1.126 8.877 1.00 0.00 N ATOM 1078 CA LEU A 69 3.496 2.470 9.473 1.00 0.00 C ATOM 1079 C LEU A 69 4.853 3.140 9.234 1.00 0.00 C ATOM 1080 O LEU A 69 4.890 4.232 8.661 1.00 0.00 O ATOM 1081 CB LEU A 69 3.187 2.426 10.979 1.00 0.00 C ATOM 1082 CG LEU A 69 1.693 2.366 11.331 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.538 1.950 12.793 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.019 3.731 11.158 1.00 0.00 C ATOM 0 H LEU A 69 3.204 0.397 9.557 1.00 0.00 H new ATOM 0 HA LEU A 69 2.739 3.073 8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.682 1.557 11.412 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.621 3.308 11.450 1.00 0.00 H new ATOM 0 HG LEU A 69 1.222 1.648 10.660 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.479 1.906 13.048 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.988 0.969 12.942 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.036 2.678 13.433 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.037 3.651 11.416 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.498 4.459 11.813 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.116 4.056 10.122 1.00 0.00 H new ATOM 1096 N VAL A 70 5.964 2.519 9.663 1.00 0.00 N ATOM 1097 CA VAL A 70 7.301 3.111 9.457 1.00 0.00 C ATOM 1098 C VAL A 70 7.612 3.297 7.971 1.00 0.00 C ATOM 1099 O VAL A 70 8.119 4.355 7.594 1.00 0.00 O ATOM 1100 CB VAL A 70 8.455 2.390 10.187 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.229 2.379 11.700 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.725 0.954 9.724 1.00 0.00 C ATOM 0 H VAL A 70 5.967 1.621 10.147 1.00 0.00 H new ATOM 0 HA VAL A 70 7.242 4.092 9.929 1.00 0.00 H new ATOM 0 HB VAL A 70 9.336 2.975 9.924 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.057 1.865 12.188 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.172 3.404 12.067 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.297 1.860 11.925 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.553 0.536 10.297 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.833 0.348 9.880 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.982 0.955 8.665 1.00 0.00 H new ATOM 1112 N ASN A 71 7.248 2.345 7.113 1.00 0.00 N ATOM 1113 CA ASN A 71 7.383 2.472 5.663 1.00 0.00 C ATOM 1114 C ASN A 71 6.593 3.673 5.106 1.00 0.00 C ATOM 1115 O ASN A 71 7.162 4.511 4.411 1.00 0.00 O ATOM 1116 CB ASN A 71 6.971 1.141 5.011 1.00 0.00 C ATOM 1117 CG ASN A 71 6.942 1.195 3.488 1.00 0.00 C ATOM 1118 OD1 ASN A 71 5.934 0.912 2.857 1.00 0.00 O ATOM 1119 ND2 ASN A 71 8.027 1.566 2.848 1.00 0.00 N ATOM 0 H ASN A 71 6.847 1.455 7.408 1.00 0.00 H new ATOM 0 HA ASN A 71 8.424 2.679 5.416 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.664 0.361 5.326 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.984 0.857 5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.026 1.617 1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.871 1.803 3.370 1.00 0.00 H new ATOM 1126 N ALA A 72 5.300 3.789 5.429 1.00 0.00 N ATOM 1127 CA ALA A 72 4.430 4.859 4.943 1.00 0.00 C ATOM 1128 C ALA A 72 4.918 6.266 5.344 1.00 0.00 C ATOM 1129 O ALA A 72 4.949 7.163 4.498 1.00 0.00 O ATOM 1130 CB ALA A 72 2.996 4.597 5.422 1.00 0.00 C ATOM 0 H ALA A 72 4.824 3.130 6.045 1.00 0.00 H new ATOM 0 HA ALA A 72 4.458 4.847 3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.342 5.391 5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.651 3.639 5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.975 4.574 6.512 1.00 0.00 H new ATOM 1136 N GLN A 73 5.312 6.474 6.607 1.00 0.00 N ATOM 1137 CA GLN A 73 5.800 7.783 7.067 1.00 0.00 C ATOM 1138 C GLN A 73 7.199 8.144 6.516 1.00 0.00 C ATOM 1139 O GLN A 73 7.461 9.319 6.242 1.00 0.00 O ATOM 1140 CB GLN A 73 5.679 7.905 8.599 1.00 0.00 C ATOM 1141 CG GLN A 73 6.641 7.048 9.442 1.00 0.00 C ATOM 1142 CD GLN A 73 8.014 7.669 9.725 1.00 0.00 C ATOM 1143 OE1 GLN A 73 8.357 8.765 9.307 1.00 0.00 O ATOM 1144 NE2 GLN A 73 8.859 6.990 10.472 1.00 0.00 N ATOM 0 H GLN A 73 5.303 5.754 7.329 1.00 0.00 H new ATOM 0 HA GLN A 73 5.148 8.544 6.639 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.829 8.950 8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.658 7.647 8.881 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.160 6.826 10.395 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.792 6.097 8.932 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.597 6.073 10.833 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.776 7.381 10.689 1.00 0.00 H new