USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 575 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 51 SER OG : rot 180:sc= 0.15 USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0.0386 USER MOD Set 2.1: A 35 SER OG : rot -80:sc= 1.24 USER MOD Set 2.2: A 66 ASN : amide:sc= 0.819 K(o=2.1,f=1.2) USER MOD Set 3.1: A 30 ASN : amide:sc= 1.08 K(o=0.72,f=-4.2) USER MOD Set 3.2: A 98 LYS NZ :NH3+ 164:sc= -0.356 (180deg=-0.571) USER MOD Single : A 25 THR OG1 : rot 20:sc= 1.21 USER MOD Single : A 32 ASN : amide:sc= -0.635 K(o=-0.64,f=-3.4) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -168:sc= -0.355 (180deg=-0.556) USER MOD Single : A 39 SER OG : rot 90:sc= 1.26 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.0319 K(o=0.032,f=-1.6) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.326 USER MOD Single : A 64 GLN : amide:sc= 0.705 K(o=0.7,f=-0.13) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.174 F(o=-0.89,f=-0.17) USER MOD Single : A 84 GLN : amide:sc= 0.295 X(o=0.29,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 90 HIS : no HE2:sc= 0.271 K(o=0.27,f=-1.4) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.74) USER MOD Single : A 106 LYS NZ :NH3+ 165:sc=-0.00596 (180deg=-0.116) USER MOD ----------------------------------------------------------------- ATOM 280 N ASP A 24 -4.270 11.200 4.855 1.00 41.32 N ATOM 281 CA ASP A 24 -3.675 9.952 5.352 1.00 51.53 C ATOM 282 C ASP A 24 -3.103 9.122 4.193 1.00 34.01 C ATOM 283 O ASP A 24 -3.506 9.310 3.044 1.00 74.30 O ATOM 284 CB ASP A 24 -4.684 9.141 6.176 1.00 35.34 C ATOM 285 CG ASP A 24 -5.825 8.556 5.341 1.00 42.52 C ATOM 286 OD1 ASP A 24 -5.622 7.507 4.695 1.00 44.42 O ATOM 287 OD2 ASP A 24 -6.907 9.189 5.351 1.00 14.25 O ATOM 0 HA ASP A 24 -2.851 10.214 6.016 1.00 51.53 H new ATOM 0 HB2 ASP A 24 -4.160 8.329 6.680 1.00 35.34 H new ATOM 0 HB3 ASP A 24 -5.104 9.780 6.953 1.00 35.34 H new ATOM 291 N THR A 25 -2.155 8.228 4.505 1.00 64.32 N ATOM 292 CA THR A 25 -1.479 7.234 3.661 1.00 61.10 C ATOM 293 C THR A 25 -0.565 6.397 4.579 1.00 34.25 C ATOM 294 O THR A 25 -0.117 6.880 5.626 1.00 1.21 O ATOM 295 CB THR A 25 -0.706 7.932 2.513 1.00 0.24 C ATOM 296 OG1 THR A 25 -1.600 8.366 1.510 1.00 15.13 O ATOM 297 CG2 THR A 25 0.355 7.090 1.806 1.00 11.52 C ATOM 0 H THR A 25 -1.805 8.179 5.462 1.00 64.32 H new ATOM 0 HA THR A 25 -2.195 6.571 3.174 1.00 61.10 H new ATOM 0 HB THR A 25 -0.192 8.748 3.021 1.00 0.24 H new ATOM 0 HG1 THR A 25 -2.505 8.425 1.882 1.00 15.13 H new ATOM 0 HG21 THR A 25 0.828 7.683 1.023 1.00 11.52 H new ATOM 0 HG22 THR A 25 1.109 6.774 2.527 1.00 11.52 H new ATOM 0 HG23 THR A 25 -0.114 6.212 1.362 1.00 11.52 H new ATOM 305 N ILE A 26 -0.262 5.157 4.191 1.00 3.14 N ATOM 306 CA ILE A 26 0.722 4.290 4.836 1.00 21.41 C ATOM 307 C ILE A 26 1.912 4.148 3.871 1.00 20.22 C ATOM 308 O ILE A 26 1.728 4.174 2.649 1.00 43.22 O ATOM 309 CB ILE A 26 0.036 2.953 5.218 1.00 75.13 C ATOM 310 CG1 ILE A 26 -0.921 3.093 6.427 1.00 21.24 C ATOM 311 CG2 ILE A 26 1.020 1.795 5.443 1.00 24.11 C ATOM 312 CD1 ILE A 26 -0.246 3.218 7.797 1.00 61.04 C ATOM 0 H ILE A 26 -0.712 4.714 3.390 1.00 3.14 H new ATOM 0 HA ILE A 26 1.110 4.700 5.768 1.00 21.41 H new ATOM 0 HB ILE A 26 -0.561 2.697 4.343 1.00 75.13 H new ATOM 0 HG12 ILE A 26 -1.549 3.970 6.270 1.00 21.24 H new ATOM 0 HG13 ILE A 26 -1.582 2.227 6.446 1.00 21.24 H new ATOM 0 HG21 ILE A 26 0.467 0.894 5.707 1.00 24.11 H new ATOM 0 HG22 ILE A 26 1.588 1.618 4.530 1.00 24.11 H new ATOM 0 HG23 ILE A 26 1.704 2.051 6.252 1.00 24.11 H new ATOM 0 HD11 ILE A 26 -1.008 3.311 8.571 1.00 61.04 H new ATOM 0 HD12 ILE A 26 0.358 2.331 7.987 1.00 61.04 H new ATOM 0 HD13 ILE A 26 0.392 4.101 7.809 1.00 61.04 H new ATOM 323 N ILE A 27 3.125 3.995 4.414 1.00 32.45 N ATOM 324 CA ILE A 27 4.354 3.785 3.653 1.00 31.31 C ATOM 325 C ILE A 27 5.072 2.581 4.277 1.00 20.02 C ATOM 326 O ILE A 27 4.979 2.365 5.486 1.00 72.01 O ATOM 327 CB ILE A 27 5.183 5.096 3.646 1.00 54.12 C ATOM 328 CG1 ILE A 27 6.285 5.175 2.567 1.00 51.13 C ATOM 329 CG2 ILE A 27 5.856 5.389 4.987 1.00 22.25 C ATOM 330 CD1 ILE A 27 5.768 5.882 1.319 1.00 22.32 C ATOM 0 H ILE A 27 3.279 4.015 5.422 1.00 32.45 H new ATOM 0 HA ILE A 27 4.171 3.553 2.604 1.00 31.31 H new ATOM 0 HB ILE A 27 4.419 5.839 3.420 1.00 54.12 H new ATOM 0 HG12 ILE A 27 7.150 5.709 2.962 1.00 51.13 H new ATOM 0 HG13 ILE A 27 6.621 4.171 2.309 1.00 51.13 H new ATOM 0 HG21 ILE A 27 6.420 6.319 4.916 1.00 22.25 H new ATOM 0 HG22 ILE A 27 5.096 5.484 5.762 1.00 22.25 H new ATOM 0 HG23 ILE A 27 6.533 4.573 5.240 1.00 22.25 H new ATOM 0 HD11 ILE A 27 6.560 5.927 0.572 1.00 22.32 H new ATOM 0 HD12 ILE A 27 4.918 5.332 0.915 1.00 22.32 H new ATOM 0 HD13 ILE A 27 5.455 6.894 1.577 1.00 22.32 H new ATOM 341 N LEU A 28 5.797 1.803 3.478 1.00 72.24 N ATOM 342 CA LEU A 28 6.634 0.695 3.937 1.00 15.12 C ATOM 343 C LEU A 28 8.050 1.021 3.506 1.00 42.24 C ATOM 344 O LEU A 28 8.221 1.631 2.449 1.00 14.55 O ATOM 345 CB LEU A 28 6.219 -0.646 3.307 1.00 31.31 C ATOM 346 CG LEU A 28 4.853 -1.239 3.702 1.00 72.13 C ATOM 347 CD1 LEU A 28 4.604 -1.287 5.211 1.00 33.14 C ATOM 348 CD2 LEU A 28 3.692 -0.533 2.998 1.00 20.35 C ATOM 0 H LEU A 28 5.820 1.928 2.466 1.00 72.24 H new ATOM 0 HA LEU A 28 6.535 0.587 5.017 1.00 15.12 H new ATOM 0 HB2 LEU A 28 6.229 -0.523 2.224 1.00 31.31 H new ATOM 0 HB3 LEU A 28 6.986 -1.381 3.552 1.00 31.31 H new ATOM 0 HG LEU A 28 4.897 -2.273 3.360 1.00 72.13 H new ATOM 0 HD11 LEU A 28 3.621 -1.717 5.404 1.00 33.14 H new ATOM 0 HD12 LEU A 28 5.369 -1.901 5.687 1.00 33.14 H new ATOM 0 HD13 LEU A 28 4.644 -0.277 5.619 1.00 33.14 H new ATOM 0 HD21 LEU A 28 2.750 -0.985 3.308 1.00 20.35 H new ATOM 0 HD22 LEU A 28 3.693 0.524 3.266 1.00 20.35 H new ATOM 0 HD23 LEU A 28 3.806 -0.634 1.919 1.00 20.35 H new ATOM 359 N ARG A 29 9.055 0.605 4.274 1.00 43.24 N ATOM 360 CA ARG A 29 10.470 0.861 3.994 1.00 40.22 C ATOM 361 C ARG A 29 11.239 -0.451 4.163 1.00 60.30 C ATOM 362 O ARG A 29 10.629 -1.506 4.350 1.00 11.23 O ATOM 363 CB ARG A 29 11.021 1.988 4.894 1.00 53.52 C ATOM 364 CG ARG A 29 10.164 3.268 4.852 1.00 24.42 C ATOM 365 CD ARG A 29 10.670 4.360 5.794 1.00 30.13 C ATOM 366 NE ARG A 29 11.947 4.950 5.367 1.00 45.30 N ATOM 367 CZ ARG A 29 12.578 5.950 5.998 1.00 1.13 C ATOM 368 NH1 ARG A 29 12.029 6.545 7.056 1.00 72.24 N ATOM 369 NH2 ARG A 29 13.775 6.343 5.581 1.00 33.02 N ATOM 0 H ARG A 29 8.907 0.068 5.128 1.00 43.24 H new ATOM 0 HA ARG A 29 10.593 1.211 2.969 1.00 40.22 H new ATOM 0 HB2 ARG A 29 11.078 1.629 5.922 1.00 53.52 H new ATOM 0 HB3 ARG A 29 12.038 2.228 4.584 1.00 53.52 H new ATOM 0 HG2 ARG A 29 10.148 3.654 3.833 1.00 24.42 H new ATOM 0 HG3 ARG A 29 9.136 3.018 5.114 1.00 24.42 H new ATOM 0 HD2 ARG A 29 9.919 5.147 5.863 1.00 30.13 H new ATOM 0 HD3 ARG A 29 10.787 3.942 6.794 1.00 30.13 H new ATOM 0 HE ARG A 29 12.385 4.570 4.528 1.00 45.30 H new ATOM 0 HH11 ARG A 29 11.117 6.241 7.396 1.00 72.24 H new ATOM 0 HH12 ARG A 29 12.521 7.305 7.526 1.00 72.24 H new ATOM 0 HH21 ARG A 29 14.213 5.884 4.782 1.00 33.02 H new ATOM 0 HH22 ARG A 29 14.257 7.104 6.059 1.00 33.02 H new ATOM 380 N ASN A 30 12.574 -0.390 4.108 1.00 1.31 N ATOM 381 CA ASN A 30 13.475 -1.545 4.134 1.00 73.20 C ATOM 382 C ASN A 30 12.968 -2.640 3.198 1.00 1.32 C ATOM 383 O ASN A 30 12.681 -3.765 3.610 1.00 51.13 O ATOM 384 CB ASN A 30 13.684 -2.073 5.559 1.00 74.01 C ATOM 385 CG ASN A 30 14.723 -3.184 5.611 1.00 73.13 C ATOM 386 OD1 ASN A 30 15.786 -3.103 5.009 1.00 30.11 O ATOM 387 ND2 ASN A 30 14.443 -4.272 6.298 1.00 50.14 N ATOM 0 H ASN A 30 13.073 0.497 4.042 1.00 1.31 H new ATOM 0 HA ASN A 30 14.450 -1.217 3.775 1.00 73.20 H new ATOM 0 HB2 ASN A 30 13.997 -1.254 6.206 1.00 74.01 H new ATOM 0 HB3 ASN A 30 12.737 -2.444 5.950 1.00 74.01 H new ATOM 0 HD21 ASN A 30 15.110 -5.043 6.327 1.00 50.14 H new ATOM 0 HD22 ASN A 30 13.559 -4.344 6.801 1.00 50.14 H new ATOM 393 N LEU A 31 12.874 -2.310 1.914 1.00 33.01 N ATOM 394 CA LEU A 31 12.534 -3.250 0.851 1.00 32.05 C ATOM 395 C LEU A 31 13.733 -3.364 -0.086 1.00 1.43 C ATOM 396 O LEU A 31 14.663 -2.568 0.040 1.00 42.53 O ATOM 397 CB LEU A 31 11.287 -2.755 0.095 1.00 63.00 C ATOM 398 CG LEU A 31 10.040 -2.461 0.944 1.00 32.13 C ATOM 399 CD1 LEU A 31 8.865 -2.030 0.070 1.00 32.31 C ATOM 400 CD2 LEU A 31 9.587 -3.687 1.711 1.00 4.33 C ATOM 0 H LEU A 31 13.035 -1.361 1.576 1.00 33.01 H new ATOM 0 HA LEU A 31 12.304 -4.231 1.266 1.00 32.05 H new ATOM 0 HB2 LEU A 31 11.554 -1.846 -0.445 1.00 63.00 H new ATOM 0 HB3 LEU A 31 11.022 -3.503 -0.652 1.00 63.00 H new ATOM 0 HG LEU A 31 10.326 -1.664 1.631 1.00 32.13 H new ATOM 0 HD11 LEU A 31 7.998 -1.829 0.699 1.00 32.31 H new ATOM 0 HD12 LEU A 31 9.132 -1.127 -0.479 1.00 32.31 H new ATOM 0 HD13 LEU A 31 8.625 -2.826 -0.635 1.00 32.31 H new ATOM 0 HD21 LEU A 31 8.703 -3.442 2.300 1.00 4.33 H new ATOM 0 HD22 LEU A 31 9.346 -4.486 1.010 1.00 4.33 H new ATOM 0 HD23 LEU A 31 10.386 -4.016 2.375 1.00 4.33 H new ATOM 411 N ASN A 32 13.752 -4.335 -1.004 1.00 55.10 N ATOM 412 CA ASN A 32 14.948 -4.650 -1.797 1.00 13.31 C ATOM 413 C ASN A 32 14.667 -4.483 -3.288 1.00 14.13 C ATOM 414 O ASN A 32 13.492 -4.427 -3.654 1.00 2.31 O ATOM 415 CB ASN A 32 15.466 -6.048 -1.404 1.00 3.53 C ATOM 416 CG ASN A 32 16.933 -6.011 -0.994 1.00 31.34 C ATOM 417 OD1 ASN A 32 17.387 -5.050 -0.385 1.00 53.10 O ATOM 418 ND2 ASN A 32 17.712 -7.017 -1.314 1.00 0.15 N ATOM 0 H ASN A 32 12.946 -4.922 -1.219 1.00 55.10 H new ATOM 0 HA ASN A 32 15.749 -3.945 -1.577 1.00 13.31 H new ATOM 0 HB2 ASN A 32 14.868 -6.440 -0.581 1.00 3.53 H new ATOM 0 HB3 ASN A 32 15.340 -6.732 -2.243 1.00 3.53 H new ATOM 0 HD21 ASN A 32 18.699 -7.000 -1.056 1.00 0.15 H new ATOM 0 HD22 ASN A 32 17.331 -7.816 -1.821 1.00 0.15 H new ATOM 424 N PRO A 33 15.665 -4.347 -4.175 1.00 3.55 N ATOM 425 CA PRO A 33 15.378 -3.923 -5.533 1.00 23.45 C ATOM 426 C PRO A 33 14.453 -4.847 -6.308 1.00 54.22 C ATOM 427 O PRO A 33 13.629 -4.362 -7.079 1.00 60.22 O ATOM 428 CB PRO A 33 16.711 -3.780 -6.238 1.00 60.00 C ATOM 429 CG PRO A 33 17.788 -4.199 -5.258 1.00 52.41 C ATOM 430 CD PRO A 33 17.088 -4.251 -3.900 1.00 22.43 C ATOM 0 HA PRO A 33 14.830 -2.982 -5.487 1.00 23.45 H new ATOM 0 HB2 PRO A 33 16.742 -4.403 -7.132 1.00 60.00 H new ATOM 0 HB3 PRO A 33 16.866 -2.751 -6.562 1.00 60.00 H new ATOM 0 HG2 PRO A 33 18.207 -5.169 -5.523 1.00 52.41 H new ATOM 0 HG3 PRO A 33 18.613 -3.487 -5.250 1.00 52.41 H new ATOM 0 HD2 PRO A 33 17.430 -5.108 -3.319 1.00 22.43 H new ATOM 0 HD3 PRO A 33 17.311 -3.359 -3.314 1.00 22.43 H new ATOM 435 N HIS A 34 14.569 -6.151 -6.098 1.00 11.12 N ATOM 436 CA HIS A 34 13.764 -7.159 -6.759 1.00 20.12 C ATOM 437 C HIS A 34 12.591 -7.611 -5.891 1.00 3.55 C ATOM 438 O HIS A 34 11.914 -8.575 -6.266 1.00 21.23 O ATOM 439 CB HIS A 34 14.642 -8.352 -7.152 1.00 74.30 C ATOM 440 CG HIS A 34 15.665 -7.979 -8.196 1.00 22.02 C ATOM 441 ND1 HIS A 34 15.488 -8.039 -9.560 1.00 21.04 N ATOM 442 CD2 HIS A 34 16.900 -7.437 -7.957 1.00 1.13 C ATOM 443 CE1 HIS A 34 16.597 -7.541 -10.131 1.00 13.32 C ATOM 444 NE2 HIS A 34 17.484 -7.151 -9.197 1.00 12.22 N ATOM 0 H HIS A 34 15.246 -6.544 -5.444 1.00 11.12 H new ATOM 0 HA HIS A 34 13.341 -6.714 -7.660 1.00 20.12 H new ATOM 0 HB2 HIS A 34 15.150 -8.736 -6.267 1.00 74.30 H new ATOM 0 HB3 HIS A 34 14.012 -9.156 -7.532 1.00 74.30 H new ATOM 0 HD2 HIS A 34 17.343 -7.262 -6.988 1.00 1.13 H new ATOM 0 HE1 HIS A 34 16.756 -7.464 -11.196 1.00 13.32 H new ATOM 0 HE2 HIS A 34 18.399 -6.731 -9.360 1.00 12.22 H new ATOM 451 N SER A 35 12.328 -6.960 -4.749 1.00 23.21 N ATOM 452 CA SER A 35 11.274 -7.410 -3.865 1.00 22.15 C ATOM 453 C SER A 35 9.924 -7.372 -4.582 1.00 2.35 C ATOM 454 O SER A 35 9.736 -6.672 -5.583 1.00 0.42 O ATOM 455 CB SER A 35 11.250 -6.624 -2.548 1.00 2.55 C ATOM 456 OG SER A 35 11.051 -5.234 -2.709 1.00 11.42 O ATOM 0 H SER A 35 12.830 -6.132 -4.429 1.00 23.21 H new ATOM 0 HA SER A 35 11.482 -8.445 -3.595 1.00 22.15 H new ATOM 0 HB2 SER A 35 10.458 -7.022 -1.914 1.00 2.55 H new ATOM 0 HB3 SER A 35 12.191 -6.787 -2.023 1.00 2.55 H new ATOM 0 HG SER A 35 11.899 -4.809 -2.956 1.00 11.42 H new ATOM 461 N THR A 36 8.972 -8.113 -4.054 1.00 23.24 N ATOM 462 CA THR A 36 7.607 -8.189 -4.555 1.00 32.22 C ATOM 463 C THR A 36 6.658 -7.519 -3.563 1.00 42.32 C ATOM 464 O THR A 36 6.869 -7.531 -2.343 1.00 33.31 O ATOM 465 CB THR A 36 7.201 -9.637 -4.902 1.00 1.24 C ATOM 466 OG1 THR A 36 7.837 -10.602 -4.087 1.00 14.42 O ATOM 467 CG2 THR A 36 7.496 -9.961 -6.369 1.00 15.45 C ATOM 0 H THR A 36 9.128 -8.701 -3.235 1.00 23.24 H new ATOM 0 HA THR A 36 7.542 -7.642 -5.495 1.00 32.22 H new ATOM 0 HB THR A 36 6.128 -9.689 -4.716 1.00 1.24 H new ATOM 0 HG1 THR A 36 7.541 -11.499 -4.350 1.00 14.42 H new ATOM 0 HG21 THR A 36 7.199 -10.988 -6.582 1.00 15.45 H new ATOM 0 HG22 THR A 36 6.937 -9.281 -7.011 1.00 15.45 H new ATOM 0 HG23 THR A 36 8.563 -9.845 -6.560 1.00 15.45 H new ATOM 475 N MET A 37 5.579 -6.941 -4.097 1.00 24.11 N ATOM 476 CA MET A 37 4.534 -6.307 -3.302 1.00 4.34 C ATOM 477 C MET A 37 3.839 -7.321 -2.392 1.00 72.51 C ATOM 478 O MET A 37 3.249 -6.951 -1.382 1.00 63.52 O ATOM 479 CB MET A 37 3.541 -5.603 -4.232 1.00 13.14 C ATOM 480 CG MET A 37 2.363 -6.477 -4.687 1.00 21.53 C ATOM 481 SD MET A 37 1.559 -5.883 -6.187 1.00 34.12 S ATOM 482 CE MET A 37 1.191 -4.175 -5.717 1.00 40.52 C ATOM 0 H MET A 37 5.408 -6.902 -5.102 1.00 24.11 H new ATOM 0 HA MET A 37 4.986 -5.560 -2.649 1.00 4.34 H new ATOM 0 HB2 MET A 37 3.148 -4.723 -3.723 1.00 13.14 H new ATOM 0 HB3 MET A 37 4.076 -5.250 -5.113 1.00 13.14 H new ATOM 0 HG2 MET A 37 2.719 -7.493 -4.854 1.00 21.53 H new ATOM 0 HG3 MET A 37 1.626 -6.525 -3.885 1.00 21.53 H new ATOM 0 HE1 MET A 37 0.510 -3.736 -6.446 1.00 40.52 H new ATOM 0 HE2 MET A 37 0.726 -4.161 -4.731 1.00 40.52 H new ATOM 0 HE3 MET A 37 2.115 -3.598 -5.690 1.00 40.52 H new ATOM 490 N ASP A 38 3.924 -8.596 -2.763 1.00 63.44 N ATOM 491 CA ASP A 38 3.225 -9.724 -2.182 1.00 11.03 C ATOM 492 C ASP A 38 3.575 -9.880 -0.704 1.00 15.14 C ATOM 493 O ASP A 38 2.718 -10.254 0.094 1.00 11.05 O ATOM 494 CB ASP A 38 3.598 -10.983 -2.973 1.00 0.41 C ATOM 495 CG ASP A 38 3.128 -10.876 -4.422 1.00 54.14 C ATOM 496 OD1 ASP A 38 3.679 -10.025 -5.160 1.00 12.13 O ATOM 497 OD2 ASP A 38 2.169 -11.590 -4.786 1.00 31.22 O ATOM 0 H ASP A 38 4.528 -8.881 -3.534 1.00 63.44 H new ATOM 0 HA ASP A 38 2.149 -9.561 -2.239 1.00 11.03 H new ATOM 0 HB2 ASP A 38 4.678 -11.127 -2.947 1.00 0.41 H new ATOM 0 HB3 ASP A 38 3.148 -11.858 -2.504 1.00 0.41 H new ATOM 501 N SER A 39 4.805 -9.520 -0.320 1.00 75.41 N ATOM 502 CA SER A 39 5.281 -9.405 1.048 1.00 75.33 C ATOM 503 C SER A 39 4.311 -8.584 1.896 1.00 53.12 C ATOM 504 O SER A 39 4.041 -8.935 3.041 1.00 73.41 O ATOM 505 CB SER A 39 6.670 -8.736 1.047 1.00 43.34 C ATOM 506 OG SER A 39 7.436 -9.054 -0.112 1.00 73.50 O ATOM 0 H SER A 39 5.530 -9.290 -1.000 1.00 75.41 H new ATOM 0 HA SER A 39 5.350 -10.403 1.481 1.00 75.33 H new ATOM 0 HB2 SER A 39 6.547 -7.655 1.110 1.00 43.34 H new ATOM 0 HB3 SER A 39 7.219 -9.047 1.936 1.00 43.34 H new ATOM 0 HG SER A 39 7.262 -8.390 -0.811 1.00 73.50 H new ATOM 511 N ILE A 40 3.806 -7.482 1.341 1.00 64.33 N ATOM 512 CA ILE A 40 2.955 -6.520 2.016 1.00 42.44 C ATOM 513 C ILE A 40 1.499 -6.986 1.949 1.00 1.14 C ATOM 514 O ILE A 40 0.682 -6.589 2.774 1.00 72.30 O ATOM 515 CB ILE A 40 3.177 -5.114 1.397 1.00 22.11 C ATOM 516 CG1 ILE A 40 4.667 -4.687 1.439 1.00 21.03 C ATOM 517 CG2 ILE A 40 2.359 -4.020 2.093 1.00 4.34 C ATOM 518 CD1 ILE A 40 5.431 -4.997 0.153 1.00 15.25 C ATOM 0 H ILE A 40 3.990 -7.231 0.370 1.00 64.33 H new ATOM 0 HA ILE A 40 3.213 -6.448 3.073 1.00 42.44 H new ATOM 0 HB ILE A 40 2.843 -5.212 0.364 1.00 22.11 H new ATOM 0 HG12 ILE A 40 4.724 -3.616 1.636 1.00 21.03 H new ATOM 0 HG13 ILE A 40 5.157 -5.191 2.272 1.00 21.03 H new ATOM 0 HG21 ILE A 40 2.556 -3.060 1.616 1.00 4.34 H new ATOM 0 HG22 ILE A 40 1.297 -4.254 2.014 1.00 4.34 H new ATOM 0 HG23 ILE A 40 2.641 -3.968 3.144 1.00 4.34 H new ATOM 0 HD11 ILE A 40 6.466 -4.670 0.257 1.00 15.25 H new ATOM 0 HD12 ILE A 40 5.407 -6.070 -0.035 1.00 15.25 H new ATOM 0 HD13 ILE A 40 4.967 -4.472 -0.682 1.00 15.25 H new ATOM 529 N LEU A 41 1.143 -7.821 0.972 1.00 0.21 N ATOM 530 CA LEU A 41 -0.205 -8.355 0.856 1.00 15.44 C ATOM 531 C LEU A 41 -0.385 -9.470 1.877 1.00 44.13 C ATOM 532 O LEU A 41 -1.089 -9.287 2.864 1.00 23.15 O ATOM 533 CB LEU A 41 -0.524 -8.779 -0.585 1.00 41.01 C ATOM 534 CG LEU A 41 -0.629 -7.560 -1.524 1.00 3.44 C ATOM 535 CD1 LEU A 41 -0.749 -8.030 -2.967 1.00 23.42 C ATOM 536 CD2 LEU A 41 -1.834 -6.669 -1.207 1.00 31.23 C ATOM 0 H LEU A 41 1.781 -8.142 0.244 1.00 0.21 H new ATOM 0 HA LEU A 41 -0.934 -7.577 1.084 1.00 15.44 H new ATOM 0 HB2 LEU A 41 0.253 -9.453 -0.947 1.00 41.01 H new ATOM 0 HB3 LEU A 41 -1.462 -9.335 -0.603 1.00 41.01 H new ATOM 0 HG LEU A 41 0.277 -6.972 -1.374 1.00 3.44 H new ATOM 0 HD11 LEU A 41 -0.823 -7.165 -3.626 1.00 23.42 H new ATOM 0 HD12 LEU A 41 0.131 -8.615 -3.233 1.00 23.42 H new ATOM 0 HD13 LEU A 41 -1.641 -8.647 -3.076 1.00 23.42 H new ATOM 0 HD21 LEU A 41 -1.857 -5.828 -1.900 1.00 31.23 H new ATOM 0 HD22 LEU A 41 -2.752 -7.248 -1.310 1.00 31.23 H new ATOM 0 HD23 LEU A 41 -1.752 -6.296 -0.186 1.00 31.23 H new ATOM 547 N GLY A 42 0.271 -10.615 1.696 1.00 4.32 N ATOM 548 CA GLY A 42 0.025 -11.792 2.529 1.00 44.13 C ATOM 549 C GLY A 42 0.328 -11.556 4.008 1.00 63.40 C ATOM 550 O GLY A 42 -0.338 -12.155 4.850 1.00 54.03 O ATOM 0 H GLY A 42 0.980 -10.753 0.976 1.00 4.32 H new ATOM 0 HA2 GLY A 42 -1.017 -12.094 2.422 1.00 44.13 H new ATOM 0 HA3 GLY A 42 0.635 -12.619 2.167 1.00 44.13 H new ATOM 554 N ALA A 43 1.266 -10.661 4.343 1.00 12.22 N ATOM 555 CA ALA A 43 1.577 -10.360 5.740 1.00 75.42 C ATOM 556 C ALA A 43 0.433 -9.625 6.436 1.00 4.13 C ATOM 557 O ALA A 43 0.391 -9.627 7.664 1.00 13.13 O ATOM 558 CB ALA A 43 2.838 -9.494 5.838 1.00 2.24 C ATOM 0 H ALA A 43 1.819 -10.136 3.666 1.00 12.22 H new ATOM 0 HA ALA A 43 1.735 -11.317 6.236 1.00 75.42 H new ATOM 0 HB1 ALA A 43 3.053 -9.281 6.885 1.00 2.24 H new ATOM 0 HB2 ALA A 43 3.680 -10.026 5.396 1.00 2.24 H new ATOM 0 HB3 ALA A 43 2.679 -8.558 5.303 1.00 2.24 H new ATOM 564 N LEU A 44 -0.456 -8.972 5.682 1.00 74.40 N ATOM 565 CA LEU A 44 -1.407 -7.987 6.184 1.00 11.01 C ATOM 566 C LEU A 44 -2.822 -8.280 5.684 1.00 20.11 C ATOM 567 O LEU A 44 -3.727 -7.493 5.946 1.00 31.42 O ATOM 568 CB LEU A 44 -0.985 -6.577 5.728 1.00 74.30 C ATOM 569 CG LEU A 44 0.477 -6.170 5.978 1.00 42.32 C ATOM 570 CD1 LEU A 44 0.728 -4.736 5.512 1.00 0.34 C ATOM 571 CD2 LEU A 44 0.827 -6.219 7.457 1.00 15.35 C ATOM 0 H LEU A 44 -0.533 -9.122 4.676 1.00 74.40 H new ATOM 0 HA LEU A 44 -1.408 -8.041 7.273 1.00 11.01 H new ATOM 0 HB2 LEU A 44 -1.182 -6.494 4.659 1.00 74.30 H new ATOM 0 HB3 LEU A 44 -1.628 -5.853 6.228 1.00 74.30 H new ATOM 0 HG LEU A 44 1.091 -6.878 5.421 1.00 42.32 H new ATOM 0 HD11 LEU A 44 1.768 -4.470 5.699 1.00 0.34 H new ATOM 0 HD12 LEU A 44 0.519 -4.658 4.445 1.00 0.34 H new ATOM 0 HD13 LEU A 44 0.076 -4.056 6.060 1.00 0.34 H new ATOM 0 HD21 LEU A 44 1.868 -5.925 7.595 1.00 15.35 H new ATOM 0 HD22 LEU A 44 0.181 -5.534 8.007 1.00 15.35 H new ATOM 0 HD23 LEU A 44 0.684 -7.233 7.831 1.00 15.35 H new ATOM 582 N ALA A 45 -3.029 -9.361 4.930 1.00 24.21 N ATOM 583 CA ALA A 45 -4.280 -9.674 4.254 1.00 72.22 C ATOM 584 C ALA A 45 -5.471 -9.662 5.228 1.00 44.04 C ATOM 585 O ALA A 45 -6.384 -8.858 5.027 1.00 22.31 O ATOM 586 CB ALA A 45 -4.130 -10.972 3.454 1.00 44.03 C ATOM 0 H ALA A 45 -2.305 -10.062 4.771 1.00 24.21 H new ATOM 0 HA ALA A 45 -4.510 -8.890 3.532 1.00 72.22 H new ATOM 0 HB1 ALA A 45 -5.070 -11.200 2.951 1.00 44.03 H new ATOM 0 HB2 ALA A 45 -3.341 -10.853 2.712 1.00 44.03 H new ATOM 0 HB3 ALA A 45 -3.873 -11.788 4.129 1.00 44.03 H new ATOM 592 N PRO A 46 -5.476 -10.443 6.327 1.00 35.21 N ATOM 593 CA PRO A 46 -6.591 -10.447 7.262 1.00 31.21 C ATOM 594 C PRO A 46 -6.692 -9.189 8.123 1.00 60.13 C ATOM 595 O PRO A 46 -7.638 -9.099 8.905 1.00 15.02 O ATOM 596 CB PRO A 46 -6.390 -11.697 8.127 1.00 73.30 C ATOM 597 CG PRO A 46 -4.874 -11.830 8.163 1.00 44.22 C ATOM 598 CD PRO A 46 -4.490 -11.429 6.743 1.00 53.01 C ATOM 0 HA PRO A 46 -7.532 -10.459 6.713 1.00 31.21 H new ATOM 0 HB2 PRO A 46 -6.811 -11.572 9.125 1.00 73.30 H new ATOM 0 HB3 PRO A 46 -6.864 -12.575 7.689 1.00 73.30 H new ATOM 0 HG2 PRO A 46 -4.424 -11.174 8.908 1.00 44.22 H new ATOM 0 HG3 PRO A 46 -4.559 -12.846 8.400 1.00 44.22 H new ATOM 0 HD2 PRO A 46 -3.484 -11.011 6.714 1.00 53.01 H new ATOM 0 HD3 PRO A 46 -4.496 -12.293 6.078 1.00 53.01 H new ATOM 603 N TYR A 47 -5.794 -8.217 7.991 1.00 74.52 N ATOM 604 CA TYR A 47 -5.799 -6.983 8.774 1.00 24.51 C ATOM 605 C TYR A 47 -6.043 -5.772 7.879 1.00 20.12 C ATOM 606 O TYR A 47 -6.091 -4.651 8.374 1.00 20.11 O ATOM 607 CB TYR A 47 -4.468 -6.882 9.538 1.00 62.23 C ATOM 608 CG TYR A 47 -4.114 -8.125 10.344 1.00 71.13 C ATOM 609 CD1 TYR A 47 -5.117 -8.866 11.003 1.00 35.41 C ATOM 610 CD2 TYR A 47 -2.788 -8.597 10.360 1.00 74.31 C ATOM 611 CE1 TYR A 47 -4.816 -10.094 11.610 1.00 1.13 C ATOM 612 CE2 TYR A 47 -2.473 -9.804 11.007 1.00 30.44 C ATOM 613 CZ TYR A 47 -3.490 -10.575 11.607 1.00 2.15 C ATOM 614 OH TYR A 47 -3.206 -11.797 12.134 1.00 53.01 O ATOM 0 H TYR A 47 -5.025 -8.265 7.322 1.00 74.52 H new ATOM 0 HA TYR A 47 -6.616 -7.000 9.495 1.00 24.51 H new ATOM 0 HB2 TYR A 47 -3.667 -6.685 8.825 1.00 62.23 H new ATOM 0 HB3 TYR A 47 -4.513 -6.026 10.212 1.00 62.23 H new ATOM 0 HD1 TYR A 47 -6.127 -8.484 11.041 1.00 35.41 H new ATOM 0 HD2 TYR A 47 -2.009 -8.029 9.873 1.00 74.31 H new ATOM 0 HE1 TYR A 47 -5.599 -10.671 12.079 1.00 1.13 H new ATOM 0 HE2 TYR A 47 -1.448 -10.142 11.045 1.00 30.44 H new ATOM 0 HH TYR A 47 -2.246 -11.974 12.050 1.00 53.01 H new ATOM 623 N ALA A 48 -6.176 -5.983 6.568 1.00 2.45 N ATOM 624 CA ALA A 48 -6.341 -4.925 5.596 1.00 60.52 C ATOM 625 C ALA A 48 -6.998 -5.558 4.380 1.00 20.51 C ATOM 626 O ALA A 48 -6.347 -6.169 3.523 1.00 11.44 O ATOM 627 CB ALA A 48 -5.012 -4.227 5.292 1.00 15.42 C ATOM 0 H ALA A 48 -6.171 -6.915 6.155 1.00 2.45 H new ATOM 0 HA ALA A 48 -6.977 -4.124 5.973 1.00 60.52 H new ATOM 0 HB1 ALA A 48 -5.175 -3.438 4.558 1.00 15.42 H new ATOM 0 HB2 ALA A 48 -4.611 -3.793 6.208 1.00 15.42 H new ATOM 0 HB3 ALA A 48 -4.303 -4.953 4.894 1.00 15.42 H new ATOM 633 N VAL A 49 -8.319 -5.444 4.356 1.00 54.04 N ATOM 634 CA VAL A 49 -9.197 -5.876 3.285 1.00 13.03 C ATOM 635 C VAL A 49 -8.959 -4.939 2.091 1.00 72.12 C ATOM 636 O VAL A 49 -9.625 -3.912 1.928 1.00 24.42 O ATOM 637 CB VAL A 49 -10.648 -5.896 3.808 1.00 55.11 C ATOM 638 CG1 VAL A 49 -11.610 -6.434 2.753 1.00 53.12 C ATOM 639 CG2 VAL A 49 -10.799 -6.766 5.061 1.00 71.53 C ATOM 0 H VAL A 49 -8.833 -5.023 5.130 1.00 54.04 H new ATOM 0 HA VAL A 49 -8.992 -6.891 2.945 1.00 13.03 H new ATOM 0 HB VAL A 49 -10.889 -4.861 4.051 1.00 55.11 H new ATOM 0 HG11 VAL A 49 -12.624 -6.435 3.152 1.00 53.12 H new ATOM 0 HG12 VAL A 49 -11.570 -5.800 1.867 1.00 53.12 H new ATOM 0 HG13 VAL A 49 -11.324 -7.451 2.485 1.00 53.12 H new ATOM 0 HG21 VAL A 49 -11.837 -6.749 5.393 1.00 71.53 H new ATOM 0 HG22 VAL A 49 -10.508 -7.791 4.830 1.00 71.53 H new ATOM 0 HG23 VAL A 49 -10.159 -6.377 5.853 1.00 71.53 H new ATOM 649 N LEU A 50 -7.940 -5.268 1.301 1.00 60.11 N ATOM 650 CA LEU A 50 -7.478 -4.597 0.094 1.00 2.32 C ATOM 651 C LEU A 50 -6.731 -5.624 -0.762 1.00 73.41 C ATOM 652 O LEU A 50 -6.673 -6.812 -0.417 1.00 44.30 O ATOM 653 CB LEU A 50 -6.642 -3.343 0.445 1.00 54.33 C ATOM 654 CG LEU A 50 -5.353 -3.529 1.281 1.00 32.34 C ATOM 655 CD1 LEU A 50 -4.215 -4.221 0.524 1.00 0.15 C ATOM 656 CD2 LEU A 50 -4.841 -2.162 1.743 1.00 14.05 C ATOM 0 H LEU A 50 -7.367 -6.085 1.511 1.00 60.11 H new ATOM 0 HA LEU A 50 -8.316 -4.219 -0.492 1.00 2.32 H new ATOM 0 HB2 LEU A 50 -6.364 -2.857 -0.490 1.00 54.33 H new ATOM 0 HB3 LEU A 50 -7.290 -2.652 0.983 1.00 54.33 H new ATOM 0 HG LEU A 50 -5.632 -4.170 2.117 1.00 32.34 H new ATOM 0 HD11 LEU A 50 -3.347 -4.314 1.177 1.00 0.15 H new ATOM 0 HD12 LEU A 50 -4.539 -5.212 0.207 1.00 0.15 H new ATOM 0 HD13 LEU A 50 -3.948 -3.629 -0.352 1.00 0.15 H new ATOM 0 HD21 LEU A 50 -3.933 -2.293 2.332 1.00 14.05 H new ATOM 0 HD22 LEU A 50 -4.623 -1.542 0.873 1.00 14.05 H new ATOM 0 HD23 LEU A 50 -5.602 -1.676 2.353 1.00 14.05 H new ATOM 667 N SER A 51 -6.162 -5.184 -1.882 1.00 35.24 N ATOM 668 CA SER A 51 -5.238 -5.945 -2.702 1.00 24.51 C ATOM 669 C SER A 51 -4.282 -4.964 -3.395 1.00 24.22 C ATOM 670 O SER A 51 -4.151 -3.800 -3.002 1.00 74.32 O ATOM 671 CB SER A 51 -6.020 -6.832 -3.683 1.00 60.14 C ATOM 672 OG SER A 51 -5.191 -7.862 -4.192 1.00 41.02 O ATOM 0 H SER A 51 -6.343 -4.251 -2.253 1.00 35.24 H new ATOM 0 HA SER A 51 -4.635 -6.621 -2.097 1.00 24.51 H new ATOM 0 HB2 SER A 51 -6.883 -7.268 -3.179 1.00 60.14 H new ATOM 0 HB3 SER A 51 -6.402 -6.226 -4.504 1.00 60.14 H new ATOM 0 HG SER A 51 -5.705 -8.418 -4.814 1.00 41.02 H new ATOM 677 N SER A 52 -3.588 -5.422 -4.432 1.00 63.31 N ATOM 678 CA SER A 52 -2.624 -4.670 -5.227 1.00 62.32 C ATOM 679 C SER A 52 -3.224 -3.491 -6.012 1.00 32.33 C ATOM 680 O SER A 52 -2.484 -2.767 -6.677 1.00 40.22 O ATOM 681 CB SER A 52 -1.909 -5.660 -6.147 1.00 64.14 C ATOM 682 OG SER A 52 -2.821 -6.514 -6.802 1.00 43.40 O ATOM 0 H SER A 52 -3.689 -6.383 -4.758 1.00 63.31 H new ATOM 0 HA SER A 52 -1.921 -4.192 -4.544 1.00 62.32 H new ATOM 0 HB2 SER A 52 -1.326 -5.113 -6.888 1.00 64.14 H new ATOM 0 HB3 SER A 52 -1.206 -6.256 -5.565 1.00 64.14 H new ATOM 0 HG SER A 52 -2.331 -7.132 -7.383 1.00 43.40 H new ATOM 687 N SER A 53 -4.533 -3.245 -5.906 1.00 20.44 N ATOM 688 CA SER A 53 -5.122 -1.957 -6.247 1.00 52.43 C ATOM 689 C SER A 53 -4.604 -0.835 -5.331 1.00 35.42 C ATOM 690 O SER A 53 -4.552 0.329 -5.744 1.00 71.10 O ATOM 691 CB SER A 53 -6.647 -2.061 -6.134 1.00 74.10 C ATOM 692 OG SER A 53 -7.242 -2.094 -7.408 1.00 62.41 O ATOM 0 H SER A 53 -5.210 -3.936 -5.581 1.00 20.44 H new ATOM 0 HA SER A 53 -4.835 -1.705 -7.268 1.00 52.43 H new ATOM 0 HB2 SER A 53 -6.914 -2.961 -5.580 1.00 74.10 H new ATOM 0 HB3 SER A 53 -7.033 -1.212 -5.570 1.00 74.10 H new ATOM 0 HG SER A 53 -8.215 -2.162 -7.313 1.00 62.41 H new ATOM 697 N ASN A 54 -4.273 -1.142 -4.077 1.00 72.20 N ATOM 698 CA ASN A 54 -3.950 -0.169 -3.041 1.00 13.43 C ATOM 699 C ASN A 54 -2.458 -0.138 -2.772 1.00 61.43 C ATOM 700 O ASN A 54 -1.888 0.945 -2.721 1.00 40.31 O ATOM 701 CB ASN A 54 -4.718 -0.526 -1.777 1.00 15.45 C ATOM 702 CG ASN A 54 -6.173 -0.137 -1.935 1.00 74.00 C ATOM 703 OD1 ASN A 54 -6.822 -0.460 -2.930 1.00 63.41 O ATOM 704 ND2 ASN A 54 -6.703 0.612 -1.009 1.00 75.30 N ATOM 0 H ASN A 54 -4.221 -2.106 -3.747 1.00 72.20 H new ATOM 0 HA ASN A 54 -4.241 0.826 -3.377 1.00 13.43 H new ATOM 0 HB2 ASN A 54 -4.637 -1.595 -1.581 1.00 15.45 H new ATOM 0 HB3 ASN A 54 -4.285 -0.011 -0.919 1.00 15.45 H new ATOM 0 HD21 ASN A 54 -7.665 0.937 -1.104 1.00 75.30 H new ATOM 0 HD22 ASN A 54 -6.156 0.873 -0.189 1.00 75.30 H new ATOM 710 N VAL A 55 -1.826 -1.305 -2.617 1.00 20.03 N ATOM 711 CA VAL A 55 -0.377 -1.401 -2.499 1.00 13.15 C ATOM 712 C VAL A 55 0.229 -1.000 -3.844 1.00 75.24 C ATOM 713 O VAL A 55 -0.069 -1.622 -4.861 1.00 32.15 O ATOM 714 CB VAL A 55 0.043 -2.822 -2.062 1.00 0.13 C ATOM 715 CG1 VAL A 55 1.558 -2.903 -1.810 1.00 1.21 C ATOM 716 CG2 VAL A 55 -0.676 -3.266 -0.780 1.00 13.33 C ATOM 0 H VAL A 55 -2.306 -2.204 -2.571 1.00 20.03 H new ATOM 0 HA VAL A 55 -0.005 -0.727 -1.727 1.00 13.15 H new ATOM 0 HB VAL A 55 -0.237 -3.484 -2.882 1.00 0.13 H new ATOM 0 HG11 VAL A 55 1.822 -3.915 -1.504 1.00 1.21 H new ATOM 0 HG12 VAL A 55 2.093 -2.649 -2.725 1.00 1.21 H new ATOM 0 HG13 VAL A 55 1.834 -2.202 -1.022 1.00 1.21 H new ATOM 0 HG21 VAL A 55 -0.351 -4.271 -0.510 1.00 13.33 H new ATOM 0 HG22 VAL A 55 -0.436 -2.577 0.029 1.00 13.33 H new ATOM 0 HG23 VAL A 55 -1.753 -3.267 -0.948 1.00 13.33 H new ATOM 726 N ARG A 56 1.120 -0.011 -3.854 1.00 61.11 N ATOM 727 CA ARG A 56 1.905 0.384 -5.014 1.00 62.42 C ATOM 728 C ARG A 56 3.373 0.384 -4.625 1.00 31.22 C ATOM 729 O ARG A 56 3.718 0.549 -3.457 1.00 40.32 O ATOM 730 CB ARG A 56 1.467 1.782 -5.476 1.00 33.12 C ATOM 731 CG ARG A 56 1.764 2.069 -6.964 1.00 35.23 C ATOM 732 CD ARG A 56 0.861 1.333 -7.978 1.00 64.44 C ATOM 733 NE ARG A 56 1.350 -0.014 -8.367 1.00 75.21 N ATOM 734 CZ ARG A 56 0.631 -1.154 -8.371 1.00 61.10 C ATOM 735 NH1 ARG A 56 -0.643 -1.154 -8.007 1.00 51.34 N ATOM 736 NH2 ARG A 56 1.201 -2.306 -8.726 1.00 1.23 N ATOM 0 H ARG A 56 1.319 0.553 -3.028 1.00 61.11 H new ATOM 0 HA ARG A 56 1.750 -0.314 -5.837 1.00 62.42 H new ATOM 0 HB2 ARG A 56 0.397 1.893 -5.301 1.00 33.12 H new ATOM 0 HB3 ARG A 56 1.970 2.531 -4.864 1.00 33.12 H new ATOM 0 HG2 ARG A 56 1.672 3.142 -7.134 1.00 35.23 H new ATOM 0 HG3 ARG A 56 2.801 1.802 -7.167 1.00 35.23 H new ATOM 0 HD2 ARG A 56 -0.138 1.235 -7.553 1.00 64.44 H new ATOM 0 HD3 ARG A 56 0.767 1.946 -8.875 1.00 64.44 H new ATOM 0 HE ARG A 56 2.325 -0.083 -8.660 1.00 75.21 H new ATOM 0 HH11 ARG A 56 -1.091 -0.284 -7.719 1.00 51.34 H new ATOM 0 HH12 ARG A 56 -1.176 -2.024 -8.015 1.00 51.34 H new ATOM 0 HH21 ARG A 56 2.184 -2.327 -8.996 1.00 1.23 H new ATOM 0 HH22 ARG A 56 0.654 -3.167 -8.728 1.00 1.23 H new ATOM 747 N VAL A 57 4.259 0.251 -5.602 1.00 75.24 N ATOM 748 CA VAL A 57 5.693 0.234 -5.400 1.00 64.11 C ATOM 749 C VAL A 57 6.329 0.936 -6.590 1.00 40.24 C ATOM 750 O VAL A 57 6.089 0.568 -7.744 1.00 31.21 O ATOM 751 CB VAL A 57 6.155 -1.211 -5.149 1.00 22.31 C ATOM 752 CG1 VAL A 57 5.547 -2.248 -6.104 1.00 35.25 C ATOM 753 CG2 VAL A 57 7.684 -1.318 -5.147 1.00 44.24 C ATOM 0 H VAL A 57 3.989 0.150 -6.580 1.00 75.24 H new ATOM 0 HA VAL A 57 6.011 0.780 -4.512 1.00 64.11 H new ATOM 0 HB VAL A 57 5.774 -1.457 -4.158 1.00 22.31 H new ATOM 0 HG11 VAL A 57 5.927 -3.239 -5.855 1.00 35.25 H new ATOM 0 HG12 VAL A 57 4.461 -2.241 -6.006 1.00 35.25 H new ATOM 0 HG13 VAL A 57 5.820 -2.002 -7.130 1.00 35.25 H new ATOM 0 HG21 VAL A 57 7.976 -2.353 -4.967 1.00 44.24 H new ATOM 0 HG22 VAL A 57 8.073 -0.994 -6.112 1.00 44.24 H new ATOM 0 HG23 VAL A 57 8.092 -0.684 -4.360 1.00 44.24 H new ATOM 763 N ILE A 58 7.022 2.031 -6.299 1.00 60.21 N ATOM 764 CA ILE A 58 7.685 2.877 -7.293 1.00 20.45 C ATOM 765 C ILE A 58 9.102 2.351 -7.584 1.00 64.34 C ATOM 766 O ILE A 58 9.771 1.816 -6.692 1.00 32.23 O ATOM 767 CB ILE A 58 7.689 4.350 -6.810 1.00 64.14 C ATOM 768 CG1 ILE A 58 6.386 4.781 -6.095 1.00 74.33 C ATOM 769 CG2 ILE A 58 7.964 5.314 -7.978 1.00 3.35 C ATOM 770 CD1 ILE A 58 5.108 4.601 -6.925 1.00 13.45 C ATOM 0 H ILE A 58 7.143 2.366 -5.343 1.00 60.21 H new ATOM 0 HA ILE A 58 7.134 2.841 -8.233 1.00 20.45 H new ATOM 0 HB ILE A 58 8.493 4.405 -6.076 1.00 64.14 H new ATOM 0 HG12 ILE A 58 6.287 4.208 -5.173 1.00 74.33 H new ATOM 0 HG13 ILE A 58 6.474 5.830 -5.811 1.00 74.33 H new ATOM 0 HG21 ILE A 58 7.961 6.340 -7.611 1.00 3.35 H new ATOM 0 HG22 ILE A 58 8.936 5.088 -8.415 1.00 3.35 H new ATOM 0 HG23 ILE A 58 7.189 5.198 -8.736 1.00 3.35 H new ATOM 0 HD11 ILE A 58 4.247 4.929 -6.343 1.00 13.45 H new ATOM 0 HD12 ILE A 58 5.179 5.196 -7.835 1.00 13.45 H new ATOM 0 HD13 ILE A 58 4.990 3.550 -7.187 1.00 13.45 H new ATOM 781 N LYS A 59 9.575 2.545 -8.824 1.00 13.15 N ATOM 782 CA LYS A 59 10.951 2.239 -9.245 1.00 55.12 C ATOM 783 C LYS A 59 11.746 3.529 -9.385 1.00 72.33 C ATOM 784 O LYS A 59 11.155 4.609 -9.415 1.00 23.45 O ATOM 785 CB LYS A 59 11.021 1.459 -10.575 1.00 71.41 C ATOM 786 CG LYS A 59 10.162 0.187 -10.573 1.00 63.10 C ATOM 787 CD LYS A 59 10.174 -0.494 -11.948 1.00 51.32 C ATOM 788 CE LYS A 59 9.297 0.229 -12.972 1.00 40.31 C ATOM 789 NZ LYS A 59 9.344 -0.429 -14.292 1.00 3.34 N ATOM 0 H LYS A 59 9.002 2.926 -9.577 1.00 13.15 H new ATOM 0 HA LYS A 59 11.377 1.601 -8.471 1.00 55.12 H new ATOM 0 HB2 LYS A 59 10.696 2.109 -11.388 1.00 71.41 H new ATOM 0 HB3 LYS A 59 12.058 1.190 -10.777 1.00 71.41 H new ATOM 0 HG2 LYS A 59 10.535 -0.505 -9.818 1.00 63.10 H new ATOM 0 HG3 LYS A 59 9.138 0.437 -10.297 1.00 63.10 H new ATOM 0 HD2 LYS A 59 11.198 -0.537 -12.319 1.00 51.32 H new ATOM 0 HD3 LYS A 59 9.830 -1.523 -11.843 1.00 51.32 H new ATOM 0 HE2 LYS A 59 8.267 0.256 -12.615 1.00 40.31 H new ATOM 0 HE3 LYS A 59 9.628 1.263 -13.069 1.00 40.31 H new ATOM 0 HZ1 LYS A 59 8.738 0.089 -14.960 1.00 3.34 H new ATOM 0 HZ2 LYS A 59 10.323 -0.432 -14.644 1.00 3.34 H new ATOM 0 HZ3 LYS A 59 9.005 -1.408 -14.204 1.00 3.34 H new ATOM 799 N ASP A 60 13.070 3.443 -9.480 1.00 0.14 N ATOM 800 CA ASP A 60 13.914 4.630 -9.612 1.00 52.22 C ATOM 801 C ASP A 60 14.068 5.072 -11.068 1.00 20.33 C ATOM 802 O ASP A 60 13.536 4.453 -11.988 1.00 64.14 O ATOM 803 CB ASP A 60 15.281 4.387 -8.952 1.00 35.33 C ATOM 804 CG ASP A 60 16.012 5.688 -8.635 1.00 54.24 C ATOM 805 OD1 ASP A 60 15.365 6.759 -8.619 1.00 71.11 O ATOM 806 OD2 ASP A 60 17.234 5.667 -8.408 1.00 60.02 O ATOM 0 H ASP A 60 13.584 2.562 -9.468 1.00 0.14 H new ATOM 0 HA ASP A 60 13.417 5.449 -9.092 1.00 52.22 H new ATOM 0 HB2 ASP A 60 15.142 3.818 -8.033 1.00 35.33 H new ATOM 0 HB3 ASP A 60 15.898 3.778 -9.613 1.00 35.33 H new ATOM 810 N LYS A 61 14.767 6.188 -11.267 1.00 55.42 N ATOM 811 CA LYS A 61 15.324 6.682 -12.514 1.00 75.03 C ATOM 812 C LYS A 61 16.747 6.150 -12.709 1.00 74.00 C ATOM 813 O LYS A 61 17.083 5.740 -13.817 1.00 55.12 O ATOM 814 CB LYS A 61 15.240 8.206 -12.470 1.00 3.55 C ATOM 815 CG LYS A 61 15.932 8.892 -13.657 1.00 71.02 C ATOM 816 CD LYS A 61 15.399 10.315 -13.862 1.00 24.35 C ATOM 817 CE LYS A 61 14.351 10.431 -14.975 1.00 71.30 C ATOM 818 NZ LYS A 61 14.932 10.387 -16.336 1.00 34.03 N ATOM 0 H LYS A 61 14.972 6.819 -10.492 1.00 55.42 H new ATOM 0 HA LYS A 61 14.765 6.328 -13.380 1.00 75.03 H new ATOM 0 HB2 LYS A 61 14.192 8.504 -12.449 1.00 3.55 H new ATOM 0 HB3 LYS A 61 15.690 8.560 -11.543 1.00 3.55 H new ATOM 0 HG2 LYS A 61 17.008 8.925 -13.485 1.00 71.02 H new ATOM 0 HG3 LYS A 61 15.772 8.307 -14.563 1.00 71.02 H new ATOM 0 HD2 LYS A 61 14.963 10.667 -12.927 1.00 24.35 H new ATOM 0 HD3 LYS A 61 16.235 10.976 -14.093 1.00 24.35 H new ATOM 0 HE2 LYS A 61 13.629 9.621 -14.870 1.00 71.30 H new ATOM 0 HE3 LYS A 61 13.803 11.365 -14.852 1.00 71.30 H new ATOM 0 HZ1 LYS A 61 14.172 10.470 -17.041 1.00 34.03 H new ATOM 0 HZ2 LYS A 61 15.601 11.175 -16.454 1.00 34.03 H new ATOM 0 HZ3 LYS A 61 15.432 9.485 -16.471 1.00 34.03 H new ATOM 828 N GLN A 62 17.578 6.121 -11.655 1.00 61.03 N ATOM 829 CA GLN A 62 18.942 5.588 -11.772 1.00 55.34 C ATOM 830 C GLN A 62 18.953 4.072 -11.940 1.00 23.15 C ATOM 831 O GLN A 62 19.956 3.487 -12.358 1.00 55.52 O ATOM 832 CB GLN A 62 19.796 5.926 -10.553 1.00 14.23 C ATOM 833 CG GLN A 62 19.700 7.382 -10.101 1.00 55.11 C ATOM 834 CD GLN A 62 20.910 7.781 -9.260 1.00 55.40 C ATOM 835 OE1 GLN A 62 21.566 6.948 -8.632 1.00 33.21 O ATOM 836 NE2 GLN A 62 21.279 9.051 -9.253 1.00 44.11 N ATOM 0 H GLN A 62 17.332 6.456 -10.724 1.00 61.03 H new ATOM 0 HA GLN A 62 19.360 6.062 -12.660 1.00 55.34 H new ATOM 0 HB2 GLN A 62 19.499 5.281 -9.726 1.00 14.23 H new ATOM 0 HB3 GLN A 62 20.837 5.696 -10.779 1.00 14.23 H new ATOM 0 HG2 GLN A 62 19.630 8.032 -10.973 1.00 55.11 H new ATOM 0 HG3 GLN A 62 18.788 7.526 -9.522 1.00 55.11 H new ATOM 0 HE21 GLN A 62 20.738 9.742 -9.772 1.00 44.11 H new ATOM 0 HE22 GLN A 62 22.105 9.339 -8.729 1.00 44.11 H new ATOM 843 N THR A 63 17.859 3.416 -11.578 1.00 44.32 N ATOM 844 CA THR A 63 17.678 1.987 -11.651 1.00 13.52 C ATOM 845 C THR A 63 16.405 1.741 -12.453 1.00 52.43 C ATOM 846 O THR A 63 15.772 2.653 -12.989 1.00 1.52 O ATOM 847 CB THR A 63 17.688 1.365 -10.227 1.00 4.42 C ATOM 848 OG1 THR A 63 16.391 1.374 -9.675 1.00 1.25 O ATOM 849 CG2 THR A 63 18.677 2.012 -9.247 1.00 75.44 C ATOM 0 H THR A 63 17.039 3.896 -11.209 1.00 44.32 H new ATOM 0 HA THR A 63 18.498 1.486 -12.165 1.00 13.52 H new ATOM 0 HB THR A 63 18.037 0.342 -10.367 1.00 4.42 H new ATOM 0 HG1 THR A 63 16.414 0.978 -8.779 1.00 1.25 H new ATOM 0 HG21 THR A 63 18.612 1.511 -8.281 1.00 75.44 H new ATOM 0 HG22 THR A 63 19.690 1.917 -9.637 1.00 75.44 H new ATOM 0 HG23 THR A 63 18.432 3.067 -9.126 1.00 75.44 H new ATOM 857 N GLN A 64 16.062 0.470 -12.569 1.00 20.04 N ATOM 858 CA GLN A 64 14.809 -0.039 -13.090 1.00 60.00 C ATOM 859 C GLN A 64 14.179 -0.955 -12.041 1.00 12.42 C ATOM 860 O GLN A 64 13.372 -1.831 -12.362 1.00 35.13 O ATOM 861 CB GLN A 64 15.128 -0.755 -14.404 1.00 14.12 C ATOM 862 CG GLN A 64 15.533 0.183 -15.510 1.00 12.53 C ATOM 863 CD GLN A 64 14.417 1.137 -15.943 1.00 23.05 C ATOM 864 OE1 GLN A 64 13.533 0.770 -16.716 1.00 35.03 O ATOM 865 NE2 GLN A 64 14.350 2.331 -15.379 1.00 63.14 N ATOM 0 H GLN A 64 16.692 -0.280 -12.283 1.00 20.04 H new ATOM 0 HA GLN A 64 14.083 0.748 -13.295 1.00 60.00 H new ATOM 0 HB2 GLN A 64 15.931 -1.472 -14.233 1.00 14.12 H new ATOM 0 HB3 GLN A 64 14.254 -1.324 -14.721 1.00 14.12 H new ATOM 0 HG2 GLN A 64 16.393 0.768 -15.183 1.00 12.53 H new ATOM 0 HG3 GLN A 64 15.854 -0.402 -16.372 1.00 12.53 H new ATOM 0 HE21 GLN A 64 15.083 2.634 -14.738 1.00 63.14 H new ATOM 0 HE22 GLN A 64 13.565 2.949 -15.585 1.00 63.14 H new ATOM 872 N LEU A 65 14.588 -0.795 -10.783 1.00 71.11 N ATOM 873 CA LEU A 65 14.210 -1.576 -9.646 1.00 55.10 C ATOM 874 C LEU A 65 13.481 -0.688 -8.663 1.00 72.42 C ATOM 875 O LEU A 65 13.423 0.536 -8.790 1.00 64.10 O ATOM 876 CB LEU A 65 15.460 -2.086 -8.954 1.00 34.33 C ATOM 877 CG LEU A 65 16.400 -2.928 -9.801 1.00 53.21 C ATOM 878 CD1 LEU A 65 15.766 -4.026 -10.654 1.00 20.01 C ATOM 879 CD2 LEU A 65 17.484 -2.159 -10.499 1.00 41.21 C ATOM 0 H LEU A 65 15.242 -0.054 -10.532 1.00 71.11 H new ATOM 0 HA LEU A 65 13.580 -2.405 -9.970 1.00 55.10 H new ATOM 0 HB2 LEU A 65 16.016 -1.228 -8.575 1.00 34.33 H new ATOM 0 HB3 LEU A 65 15.156 -2.676 -8.089 1.00 34.33 H new ATOM 0 HG LEU A 65 16.915 -3.503 -9.031 1.00 53.21 H new ATOM 0 HD11 LEU A 65 16.544 -4.551 -11.208 1.00 20.01 H new ATOM 0 HD12 LEU A 65 15.242 -4.731 -10.009 1.00 20.01 H new ATOM 0 HD13 LEU A 65 15.060 -3.580 -11.354 1.00 20.01 H new ATOM 0 HD21 LEU A 65 18.102 -2.845 -11.077 1.00 41.21 H new ATOM 0 HD22 LEU A 65 17.036 -1.423 -11.167 1.00 41.21 H new ATOM 0 HD23 LEU A 65 18.102 -1.649 -9.760 1.00 41.21 H new ATOM 890 N ASN A 66 12.981 -1.344 -7.637 1.00 42.40 N ATOM 891 CA ASN A 66 12.163 -0.728 -6.605 1.00 74.12 C ATOM 892 C ASN A 66 13.010 0.250 -5.788 1.00 35.44 C ATOM 893 O ASN A 66 14.179 -0.032 -5.518 1.00 53.43 O ATOM 894 CB ASN A 66 11.651 -1.797 -5.648 1.00 75.22 C ATOM 895 CG ASN A 66 10.848 -2.951 -6.227 1.00 72.33 C ATOM 896 OD1 ASN A 66 10.116 -2.830 -7.205 1.00 74.31 O ATOM 897 ND2 ASN A 66 10.982 -4.113 -5.616 1.00 44.41 N ATOM 0 H ASN A 66 13.133 -2.342 -7.491 1.00 42.40 H new ATOM 0 HA ASN A 66 11.333 -0.211 -7.086 1.00 74.12 H new ATOM 0 HB2 ASN A 66 12.511 -2.218 -5.127 1.00 75.22 H new ATOM 0 HB3 ASN A 66 11.033 -1.304 -4.897 1.00 75.22 H new ATOM 0 HD21 ASN A 66 10.473 -4.929 -5.955 1.00 44.41 H new ATOM 0 HD22 ASN A 66 11.595 -4.195 -4.805 1.00 44.41 H new ATOM 903 N ARG A 67 12.423 1.357 -5.316 1.00 2.22 N ATOM 904 CA ARG A 67 13.129 2.408 -4.553 1.00 64.20 C ATOM 905 C ARG A 67 13.331 2.103 -3.056 1.00 71.04 C ATOM 906 O ARG A 67 13.647 3.005 -2.279 1.00 43.12 O ATOM 907 CB ARG A 67 12.415 3.761 -4.761 1.00 73.01 C ATOM 908 CG ARG A 67 12.920 4.471 -6.018 1.00 52.14 C ATOM 909 CD ARG A 67 12.345 5.897 -6.101 1.00 35.32 C ATOM 910 NE ARG A 67 13.283 6.849 -6.719 1.00 74.10 N ATOM 911 CZ ARG A 67 13.345 8.173 -6.527 1.00 20.12 C ATOM 912 NH1 ARG A 67 12.523 8.804 -5.695 1.00 60.00 N ATOM 913 NH2 ARG A 67 14.236 8.863 -7.220 1.00 12.13 N ATOM 0 H ARG A 67 11.432 1.556 -5.452 1.00 2.22 H new ATOM 0 HA ARG A 67 14.142 2.449 -4.954 1.00 64.20 H new ATOM 0 HB2 ARG A 67 11.340 3.598 -4.840 1.00 73.01 H new ATOM 0 HB3 ARG A 67 12.578 4.398 -3.891 1.00 73.01 H new ATOM 0 HG2 ARG A 67 14.009 4.512 -6.007 1.00 52.14 H new ATOM 0 HG3 ARG A 67 12.632 3.904 -6.903 1.00 52.14 H new ATOM 0 HD2 ARG A 67 11.419 5.879 -6.676 1.00 35.32 H new ATOM 0 HD3 ARG A 67 12.091 6.241 -5.099 1.00 35.32 H new ATOM 0 HE ARG A 67 13.964 6.455 -7.368 1.00 74.10 H new ATOM 0 HH11 ARG A 67 11.817 8.278 -5.179 1.00 60.00 H new ATOM 0 HH12 ARG A 67 12.598 9.814 -5.572 1.00 60.00 H new ATOM 0 HH21 ARG A 67 14.851 8.385 -7.878 1.00 12.13 H new ATOM 0 HH22 ARG A 67 14.308 9.873 -7.096 1.00 12.13 H new ATOM 924 N GLY A 68 13.112 0.872 -2.588 1.00 24.43 N ATOM 925 CA GLY A 68 13.317 0.550 -1.175 1.00 14.52 C ATOM 926 C GLY A 68 12.113 0.926 -0.306 1.00 11.11 C ATOM 927 O GLY A 68 12.224 0.890 0.925 1.00 60.30 O ATOM 0 H GLY A 68 12.796 0.089 -3.161 1.00 24.43 H new ATOM 0 HA2 GLY A 68 13.514 -0.517 -1.074 1.00 14.52 H new ATOM 0 HA3 GLY A 68 14.201 1.074 -0.811 1.00 14.52 H new ATOM 931 N PHE A 69 10.984 1.310 -0.916 1.00 15.14 N ATOM 932 CA PHE A 69 9.760 1.674 -0.221 1.00 31.02 C ATOM 933 C PHE A 69 8.542 1.239 -1.043 1.00 15.35 C ATOM 934 O PHE A 69 8.685 0.786 -2.189 1.00 15.54 O ATOM 935 CB PHE A 69 9.763 3.184 0.072 1.00 55.42 C ATOM 936 CG PHE A 69 9.261 4.049 -1.064 1.00 60.11 C ATOM 937 CD1 PHE A 69 10.135 4.471 -2.077 1.00 55.50 C ATOM 938 CD2 PHE A 69 7.912 4.437 -1.110 1.00 34.34 C ATOM 939 CE1 PHE A 69 9.666 5.283 -3.124 1.00 60.23 C ATOM 940 CE2 PHE A 69 7.440 5.246 -2.155 1.00 73.40 C ATOM 941 CZ PHE A 69 8.318 5.677 -3.161 1.00 72.24 C ATOM 0 H PHE A 69 10.903 1.375 -1.931 1.00 15.14 H new ATOM 0 HA PHE A 69 9.703 1.155 0.736 1.00 31.02 H new ATOM 0 HB2 PHE A 69 9.148 3.371 0.952 1.00 55.42 H new ATOM 0 HB3 PHE A 69 10.779 3.490 0.322 1.00 55.42 H new ATOM 0 HD1 PHE A 69 11.172 4.171 -2.052 1.00 55.50 H new ATOM 0 HD2 PHE A 69 7.233 4.111 -0.336 1.00 34.34 H new ATOM 0 HE1 PHE A 69 10.343 5.605 -3.901 1.00 60.23 H new ATOM 0 HE2 PHE A 69 6.400 5.537 -2.185 1.00 73.40 H new ATOM 0 HZ PHE A 69 7.959 6.309 -3.960 1.00 72.24 H new ATOM 950 N ALA A 70 7.356 1.346 -0.444 1.00 55.51 N ATOM 951 CA ALA A 70 6.067 1.142 -1.098 1.00 71.02 C ATOM 952 C ALA A 70 5.011 2.037 -0.445 1.00 75.04 C ATOM 953 O ALA A 70 5.253 2.584 0.630 1.00 13.53 O ATOM 954 CB ALA A 70 5.692 -0.341 -1.012 1.00 13.44 C ATOM 0 H ALA A 70 7.265 1.585 0.543 1.00 55.51 H new ATOM 0 HA ALA A 70 6.125 1.417 -2.151 1.00 71.02 H new ATOM 0 HB1 ALA A 70 4.730 -0.502 -1.498 1.00 13.44 H new ATOM 0 HB2 ALA A 70 6.455 -0.939 -1.510 1.00 13.44 H new ATOM 0 HB3 ALA A 70 5.624 -0.639 0.034 1.00 13.44 H new ATOM 960 N PHE A 71 3.854 2.169 -1.096 1.00 13.45 N ATOM 961 CA PHE A 71 2.791 3.129 -0.803 1.00 4.14 C ATOM 962 C PHE A 71 1.460 2.384 -0.656 1.00 31.42 C ATOM 963 O PHE A 71 1.265 1.378 -1.344 1.00 62.30 O ATOM 964 CB PHE A 71 2.713 4.163 -1.952 1.00 23.13 C ATOM 965 CG PHE A 71 3.203 5.565 -1.621 1.00 62.32 C ATOM 966 CD1 PHE A 71 2.866 6.191 -0.404 1.00 15.23 C ATOM 967 CD2 PHE A 71 3.980 6.272 -2.559 1.00 15.32 C ATOM 968 CE1 PHE A 71 3.340 7.484 -0.116 1.00 75.42 C ATOM 969 CE2 PHE A 71 4.459 7.562 -2.267 1.00 54.40 C ATOM 970 CZ PHE A 71 4.144 8.167 -1.042 1.00 43.40 C ATOM 0 H PHE A 71 3.621 1.572 -1.890 1.00 13.45 H new ATOM 0 HA PHE A 71 3.002 3.652 0.130 1.00 4.14 H new ATOM 0 HB2 PHE A 71 3.294 3.786 -2.794 1.00 23.13 H new ATOM 0 HB3 PHE A 71 1.677 4.230 -2.284 1.00 23.13 H new ATOM 0 HD1 PHE A 71 2.241 5.676 0.311 1.00 15.23 H new ATOM 0 HD2 PHE A 71 4.210 5.819 -3.512 1.00 15.32 H new ATOM 0 HE1 PHE A 71 3.084 7.953 0.822 1.00 75.42 H new ATOM 0 HE2 PHE A 71 5.070 8.087 -2.987 1.00 54.40 H new ATOM 0 HZ PHE A 71 4.518 9.154 -0.812 1.00 43.40 H new ATOM 979 N ILE A 72 0.543 2.864 0.198 1.00 2.33 N ATOM 980 CA ILE A 72 -0.805 2.312 0.387 1.00 75.33 C ATOM 981 C ILE A 72 -1.795 3.462 0.650 1.00 41.30 C ATOM 982 O ILE A 72 -1.622 4.222 1.608 1.00 14.45 O ATOM 983 CB ILE A 72 -0.838 1.287 1.548 1.00 43.41 C ATOM 984 CG1 ILE A 72 0.140 0.117 1.310 1.00 72.04 C ATOM 985 CG2 ILE A 72 -2.272 0.757 1.766 1.00 11.52 C ATOM 986 CD1 ILE A 72 0.038 -1.007 2.338 1.00 15.14 C ATOM 0 H ILE A 72 0.726 3.672 0.794 1.00 2.33 H new ATOM 0 HA ILE A 72 -1.096 1.783 -0.521 1.00 75.33 H new ATOM 0 HB ILE A 72 -0.514 1.807 2.450 1.00 43.41 H new ATOM 0 HG12 ILE A 72 -0.041 -0.296 0.318 1.00 72.04 H new ATOM 0 HG13 ILE A 72 1.159 0.504 1.313 1.00 72.04 H new ATOM 0 HG21 ILE A 72 -2.274 0.038 2.586 1.00 11.52 H new ATOM 0 HG22 ILE A 72 -2.934 1.588 2.011 1.00 11.52 H new ATOM 0 HG23 ILE A 72 -2.622 0.270 0.856 1.00 11.52 H new ATOM 0 HD11 ILE A 72 0.759 -1.788 2.096 1.00 15.14 H new ATOM 0 HD12 ILE A 72 0.250 -0.612 3.331 1.00 15.14 H new ATOM 0 HD13 ILE A 72 -0.968 -1.425 2.321 1.00 15.14 H new ATOM 997 N GLN A 73 -2.843 3.558 -0.179 1.00 24.03 N ATOM 998 CA GLN A 73 -4.029 4.388 0.062 1.00 13.54 C ATOM 999 C GLN A 73 -4.942 3.708 1.104 1.00 75.22 C ATOM 1000 O GLN A 73 -5.169 2.496 1.014 1.00 63.43 O ATOM 1001 CB GLN A 73 -4.796 4.578 -1.259 1.00 71.42 C ATOM 1002 CG GLN A 73 -4.183 5.626 -2.198 1.00 40.54 C ATOM 1003 CD GLN A 73 -5.155 6.005 -3.316 1.00 42.40 C ATOM 1004 OE1 GLN A 73 -5.844 7.023 -3.255 1.00 34.11 O ATOM 1005 NE2 GLN A 73 -5.251 5.207 -4.364 1.00 40.51 N ATOM 0 H GLN A 73 -2.890 3.046 -1.060 1.00 24.03 H new ATOM 0 HA GLN A 73 -3.719 5.360 0.444 1.00 13.54 H new ATOM 0 HB2 GLN A 73 -4.841 3.622 -1.780 1.00 71.42 H new ATOM 0 HB3 GLN A 73 -5.822 4.866 -1.032 1.00 71.42 H new ATOM 0 HG2 GLN A 73 -3.915 6.516 -1.628 1.00 40.54 H new ATOM 0 HG3 GLN A 73 -3.262 5.236 -2.631 1.00 40.54 H new ATOM 0 HE21 GLN A 73 -4.681 4.363 -4.416 1.00 40.51 H new ATOM 0 HE22 GLN A 73 -5.895 5.435 -5.121 1.00 40.51 H new ATOM 1012 N LEU A 74 -5.459 4.465 2.084 1.00 20.24 N ATOM 1013 CA LEU A 74 -6.167 3.984 3.279 1.00 21.02 C ATOM 1014 C LEU A 74 -7.256 4.989 3.733 1.00 0.51 C ATOM 1015 O LEU A 74 -7.818 5.683 2.883 1.00 74.34 O ATOM 1016 CB LEU A 74 -5.139 3.631 4.375 1.00 4.32 C ATOM 1017 CG LEU A 74 -5.492 2.287 5.047 1.00 33.41 C ATOM 1018 CD1 LEU A 74 -4.778 1.107 4.377 1.00 11.13 C ATOM 1019 CD2 LEU A 74 -5.100 2.318 6.515 1.00 34.43 C ATOM 0 H LEU A 74 -5.390 5.482 2.062 1.00 20.24 H new ATOM 0 HA LEU A 74 -6.712 3.069 3.046 1.00 21.02 H new ATOM 0 HB2 LEU A 74 -4.142 3.574 3.939 1.00 4.32 H new ATOM 0 HB3 LEU A 74 -5.114 4.422 5.125 1.00 4.32 H new ATOM 0 HG LEU A 74 -6.568 2.150 4.941 1.00 33.41 H new ATOM 0 HD11 LEU A 74 -5.054 0.181 4.881 1.00 11.13 H new ATOM 0 HD12 LEU A 74 -5.072 1.052 3.329 1.00 11.13 H new ATOM 0 HD13 LEU A 74 -3.699 1.249 4.444 1.00 11.13 H new ATOM 0 HD21 LEU A 74 -5.353 1.365 6.979 1.00 34.43 H new ATOM 0 HD22 LEU A 74 -4.027 2.490 6.602 1.00 34.43 H new ATOM 0 HD23 LEU A 74 -5.638 3.121 7.018 1.00 34.43 H new ATOM 1030 N SER A 75 -7.646 5.026 5.018 1.00 32.24 N ATOM 1031 CA SER A 75 -8.403 6.136 5.610 1.00 20.32 C ATOM 1032 C SER A 75 -7.916 6.416 7.040 1.00 13.35 C ATOM 1033 O SER A 75 -7.244 5.577 7.641 1.00 60.34 O ATOM 1034 CB SER A 75 -9.910 5.867 5.516 1.00 32.04 C ATOM 1035 OG SER A 75 -10.679 7.023 5.825 1.00 72.11 O ATOM 0 H SER A 75 -7.441 4.277 5.680 1.00 32.24 H new ATOM 0 HA SER A 75 -8.220 7.048 5.042 1.00 20.32 H new ATOM 0 HB2 SER A 75 -10.155 5.527 4.510 1.00 32.04 H new ATOM 0 HB3 SER A 75 -10.177 5.061 6.199 1.00 32.04 H new ATOM 0 HG SER A 75 -11.633 6.810 5.752 1.00 72.11 H new ATOM 1040 N THR A 76 -8.246 7.594 7.586 1.00 11.42 N ATOM 1041 CA THR A 76 -7.471 8.269 8.634 1.00 12.15 C ATOM 1042 C THR A 76 -7.147 7.383 9.837 1.00 55.10 C ATOM 1043 O THR A 76 -5.973 7.105 10.090 1.00 31.45 O ATOM 1044 CB THR A 76 -8.110 9.607 9.072 1.00 23.45 C ATOM 1045 OG1 THR A 76 -9.437 9.462 9.563 1.00 1.53 O ATOM 1046 CG2 THR A 76 -8.119 10.654 7.960 1.00 41.10 C ATOM 0 H THR A 76 -9.077 8.115 7.305 1.00 11.42 H new ATOM 0 HA THR A 76 -6.513 8.497 8.166 1.00 12.15 H new ATOM 0 HB THR A 76 -7.469 9.951 9.884 1.00 23.45 H new ATOM 0 HG1 THR A 76 -9.786 10.339 9.825 1.00 1.53 H new ATOM 0 HG21 THR A 76 -8.580 11.571 8.327 1.00 41.10 H new ATOM 0 HG22 THR A 76 -7.096 10.862 7.648 1.00 41.10 H new ATOM 0 HG23 THR A 76 -8.688 10.277 7.110 1.00 41.10 H new ATOM 1054 N ILE A 77 -8.154 6.978 10.615 1.00 23.22 N ATOM 1055 CA ILE A 77 -7.942 6.249 11.864 1.00 44.53 C ATOM 1056 C ILE A 77 -7.240 4.926 11.560 1.00 54.31 C ATOM 1057 O ILE A 77 -6.352 4.501 12.303 1.00 10.51 O ATOM 1058 CB ILE A 77 -9.282 6.035 12.602 1.00 33.04 C ATOM 1059 CG1 ILE A 77 -9.941 7.397 12.906 1.00 2.12 C ATOM 1060 CG2 ILE A 77 -9.050 5.230 13.889 1.00 12.13 C ATOM 1061 CD1 ILE A 77 -11.280 7.322 13.642 1.00 70.21 C ATOM 0 H ILE A 77 -9.136 7.147 10.396 1.00 23.22 H new ATOM 0 HA ILE A 77 -7.304 6.832 12.528 1.00 44.53 H new ATOM 0 HB ILE A 77 -9.959 5.466 11.964 1.00 33.04 H new ATOM 0 HG12 ILE A 77 -9.250 7.992 13.502 1.00 2.12 H new ATOM 0 HG13 ILE A 77 -10.090 7.928 11.966 1.00 2.12 H new ATOM 0 HG21 ILE A 77 -10.000 5.084 14.403 1.00 12.13 H new ATOM 0 HG22 ILE A 77 -8.620 4.260 13.639 1.00 12.13 H new ATOM 0 HG23 ILE A 77 -8.365 5.774 14.540 1.00 12.13 H new ATOM 0 HD11 ILE A 77 -11.661 8.330 13.808 1.00 70.21 H new ATOM 0 HD12 ILE A 77 -11.994 6.759 13.041 1.00 70.21 H new ATOM 0 HD13 ILE A 77 -11.140 6.824 14.601 1.00 70.21 H new ATOM 1072 N GLU A 78 -7.591 4.303 10.437 1.00 22.15 N ATOM 1073 CA GLU A 78 -7.039 3.013 10.063 1.00 24.45 C ATOM 1074 C GLU A 78 -5.536 3.188 9.807 1.00 11.32 C ATOM 1075 O GLU A 78 -4.735 2.366 10.245 1.00 33.21 O ATOM 1076 CB GLU A 78 -7.823 2.446 8.864 1.00 44.20 C ATOM 1077 CG GLU A 78 -9.336 2.270 9.137 1.00 61.01 C ATOM 1078 CD GLU A 78 -9.740 0.969 9.842 1.00 33.54 C ATOM 1079 OE1 GLU A 78 -8.957 -0.006 9.902 1.00 75.12 O ATOM 1080 OE2 GLU A 78 -10.886 0.896 10.342 1.00 44.03 O ATOM 0 H GLU A 78 -8.262 4.680 9.768 1.00 22.15 H new ATOM 0 HA GLU A 78 -7.144 2.277 10.860 1.00 24.45 H new ATOM 0 HB2 GLU A 78 -7.692 3.109 8.009 1.00 44.20 H new ATOM 0 HB3 GLU A 78 -7.398 1.481 8.587 1.00 44.20 H new ATOM 0 HG2 GLU A 78 -9.677 3.110 9.742 1.00 61.01 H new ATOM 0 HG3 GLU A 78 -9.866 2.326 8.186 1.00 61.01 H new ATOM 1085 N ALA A 79 -5.137 4.327 9.226 1.00 11.25 N ATOM 1086 CA ALA A 79 -3.780 4.659 8.837 1.00 2.25 C ATOM 1087 C ALA A 79 -2.939 5.088 10.041 1.00 3.35 C ATOM 1088 O ALA A 79 -1.750 5.368 9.875 1.00 1.33 O ATOM 1089 CB ALA A 79 -3.826 5.768 7.774 1.00 60.32 C ATOM 0 H ALA A 79 -5.795 5.075 9.007 1.00 11.25 H new ATOM 0 HA ALA A 79 -3.303 3.772 8.420 1.00 2.25 H new ATOM 0 HB1 ALA A 79 -2.811 6.026 7.473 1.00 60.32 H new ATOM 0 HB2 ALA A 79 -4.383 5.417 6.906 1.00 60.32 H new ATOM 0 HB3 ALA A 79 -4.317 6.649 8.188 1.00 60.32 H new ATOM 1095 N ALA A 80 -3.539 5.163 11.235 1.00 63.23 N ATOM 1096 CA ALA A 80 -2.839 5.389 12.484 1.00 64.34 C ATOM 1097 C ALA A 80 -2.775 4.107 13.316 1.00 44.21 C ATOM 1098 O ALA A 80 -1.720 3.777 13.867 1.00 62.04 O ATOM 1099 CB ALA A 80 -3.508 6.518 13.276 1.00 24.22 C ATOM 0 H ALA A 80 -4.548 5.065 11.351 1.00 63.23 H new ATOM 0 HA ALA A 80 -1.817 5.689 12.252 1.00 64.34 H new ATOM 0 HB1 ALA A 80 -2.970 6.675 14.211 1.00 24.22 H new ATOM 0 HB2 ALA A 80 -3.489 7.436 12.688 1.00 24.22 H new ATOM 0 HB3 ALA A 80 -4.541 6.247 13.493 1.00 24.22 H new ATOM 1105 N GLN A 81 -3.904 3.407 13.449 1.00 72.21 N ATOM 1106 CA GLN A 81 -4.040 2.259 14.332 1.00 21.23 C ATOM 1107 C GLN A 81 -3.369 1.017 13.750 1.00 42.23 C ATOM 1108 O GLN A 81 -2.731 0.287 14.508 1.00 25.25 O ATOM 1109 CB GLN A 81 -5.519 2.055 14.700 1.00 25.01 C ATOM 1110 CG GLN A 81 -6.346 1.274 13.674 1.00 23.51 C ATOM 1111 CD GLN A 81 -7.854 1.463 13.857 1.00 71.44 C ATOM 1112 OE1 GLN A 81 -8.621 1.324 12.790 1.00 13.43 O flip ATOM 1113 NE2 GLN A 81 -8.355 1.738 14.943 1.00 13.25 N flip ATOM 0 H GLN A 81 -4.758 3.629 12.937 1.00 72.21 H new ATOM 0 HA GLN A 81 -3.507 2.454 15.263 1.00 21.23 H new ATOM 0 HB2 GLN A 81 -5.570 1.534 15.656 1.00 25.01 H new ATOM 0 HB3 GLN A 81 -5.979 3.033 14.845 1.00 25.01 H new ATOM 0 HG2 GLN A 81 -6.064 1.592 12.670 1.00 23.51 H new ATOM 0 HG3 GLN A 81 -6.106 0.214 13.752 1.00 23.51 H new ATOM 0 HE21 GLN A 81 -7.762 1.845 15.766 1.00 13.25 H new ATOM 0 HE22 GLN A 81 -9.365 1.860 15.023 1.00 13.25 H new ATOM 1120 N LEU A 82 -3.455 0.794 12.427 1.00 63.44 N ATOM 1121 CA LEU A 82 -2.942 -0.443 11.838 1.00 70.21 C ATOM 1122 C LEU A 82 -1.461 -0.595 12.106 1.00 5.24 C ATOM 1123 O LEU A 82 -1.020 -1.699 12.398 1.00 25.35 O ATOM 1124 CB LEU A 82 -3.210 -0.547 10.323 1.00 55.13 C ATOM 1125 CG LEU A 82 -4.440 -1.426 10.054 1.00 24.24 C ATOM 1126 CD1 LEU A 82 -5.032 -1.147 8.671 1.00 24.33 C ATOM 1127 CD2 LEU A 82 -4.075 -2.911 10.177 1.00 73.33 C ATOM 0 H LEU A 82 -3.868 1.445 11.760 1.00 63.44 H new ATOM 0 HA LEU A 82 -3.487 -1.255 12.320 1.00 70.21 H new ATOM 0 HB2 LEU A 82 -3.368 0.448 9.907 1.00 55.13 H new ATOM 0 HB3 LEU A 82 -2.338 -0.967 9.821 1.00 55.13 H new ATOM 0 HG LEU A 82 -5.193 -1.180 10.803 1.00 24.24 H new ATOM 0 HD11 LEU A 82 -5.901 -1.785 8.512 1.00 24.33 H new ATOM 0 HD12 LEU A 82 -5.333 -0.101 8.608 1.00 24.33 H new ATOM 0 HD13 LEU A 82 -4.284 -1.355 7.906 1.00 24.33 H new ATOM 0 HD21 LEU A 82 -4.958 -3.520 9.983 1.00 73.33 H new ATOM 0 HD22 LEU A 82 -3.299 -3.156 9.452 1.00 73.33 H new ATOM 0 HD23 LEU A 82 -3.708 -3.113 11.183 1.00 73.33 H new ATOM 1138 N LEU A 83 -0.706 0.505 12.075 1.00 30.44 N ATOM 1139 CA LEU A 83 0.727 0.501 12.316 1.00 52.51 C ATOM 1140 C LEU A 83 1.083 -0.257 13.599 1.00 33.14 C ATOM 1141 O LEU A 83 2.048 -1.012 13.610 1.00 61.43 O ATOM 1142 CB LEU A 83 1.215 1.956 12.381 1.00 70.00 C ATOM 1143 CG LEU A 83 2.747 2.085 12.457 1.00 5.23 C ATOM 1144 CD1 LEU A 83 3.420 1.619 11.163 1.00 52.12 C ATOM 1145 CD2 LEU A 83 3.111 3.552 12.680 1.00 13.14 C ATOM 0 H LEU A 83 -1.083 1.432 11.879 1.00 30.44 H new ATOM 0 HA LEU A 83 1.226 -0.020 11.499 1.00 52.51 H new ATOM 0 HB2 LEU A 83 0.856 2.491 11.502 1.00 70.00 H new ATOM 0 HB3 LEU A 83 0.773 2.441 13.252 1.00 70.00 H new ATOM 0 HG LEU A 83 3.095 1.458 13.278 1.00 5.23 H new ATOM 0 HD11 LEU A 83 4.501 1.726 11.256 1.00 52.12 H new ATOM 0 HD12 LEU A 83 3.173 0.573 10.981 1.00 52.12 H new ATOM 0 HD13 LEU A 83 3.066 2.226 10.330 1.00 52.12 H new ATOM 0 HD21 LEU A 83 4.195 3.654 12.735 1.00 13.14 H new ATOM 0 HD22 LEU A 83 2.732 4.151 11.852 1.00 13.14 H new ATOM 0 HD23 LEU A 83 2.666 3.900 13.612 1.00 13.14 H new ATOM 1156 N GLN A 84 0.286 -0.098 14.658 1.00 72.40 N ATOM 1157 CA GLN A 84 0.548 -0.679 15.974 1.00 33.55 C ATOM 1158 C GLN A 84 0.168 -2.167 16.025 1.00 1.35 C ATOM 1159 O GLN A 84 0.610 -2.897 16.913 1.00 42.10 O ATOM 1160 CB GLN A 84 -0.224 0.150 17.009 1.00 44.32 C ATOM 1161 CG GLN A 84 0.419 1.537 17.162 1.00 41.53 C ATOM 1162 CD GLN A 84 -0.566 2.586 17.639 1.00 3.15 C ATOM 1163 OE1 GLN A 84 -0.685 2.852 18.831 1.00 53.20 O ATOM 1164 NE2 GLN A 84 -1.285 3.230 16.735 1.00 2.22 N ATOM 0 H GLN A 84 -0.575 0.448 14.623 1.00 72.40 H new ATOM 0 HA GLN A 84 1.615 -0.644 16.195 1.00 33.55 H new ATOM 0 HB2 GLN A 84 -1.264 0.255 16.700 1.00 44.32 H new ATOM 0 HB3 GLN A 84 -0.228 -0.365 17.969 1.00 44.32 H new ATOM 0 HG2 GLN A 84 1.247 1.474 17.868 1.00 41.53 H new ATOM 0 HG3 GLN A 84 0.839 1.846 16.205 1.00 41.53 H new ATOM 0 HE21 GLN A 84 -1.181 3.004 15.746 1.00 2.22 H new ATOM 0 HE22 GLN A 84 -1.943 3.953 17.027 1.00 2.22 H new ATOM 1171 N ILE A 85 -0.619 -2.636 15.057 1.00 42.22 N ATOM 1172 CA ILE A 85 -0.887 -4.043 14.806 1.00 30.25 C ATOM 1173 C ILE A 85 0.302 -4.611 14.015 1.00 50.14 C ATOM 1174 O ILE A 85 0.762 -5.717 14.296 1.00 33.42 O ATOM 1175 CB ILE A 85 -2.233 -4.208 14.058 1.00 1.04 C ATOM 1176 CG1 ILE A 85 -3.359 -3.413 14.760 1.00 21.33 C ATOM 1177 CG2 ILE A 85 -2.596 -5.695 13.943 1.00 2.45 C ATOM 1178 CD1 ILE A 85 -4.723 -3.540 14.087 1.00 4.02 C ATOM 0 H ILE A 85 -1.103 -2.020 14.404 1.00 42.22 H new ATOM 0 HA ILE A 85 -0.987 -4.598 15.738 1.00 30.25 H new ATOM 0 HB ILE A 85 -2.122 -3.802 13.053 1.00 1.04 H new ATOM 0 HG12 ILE A 85 -3.442 -3.755 15.792 1.00 21.33 H new ATOM 0 HG13 ILE A 85 -3.079 -2.360 14.794 1.00 21.33 H new ATOM 0 HG21 ILE A 85 -3.544 -5.798 13.415 1.00 2.45 H new ATOM 0 HG22 ILE A 85 -1.815 -6.219 13.392 1.00 2.45 H new ATOM 0 HG23 ILE A 85 -2.687 -6.125 14.940 1.00 2.45 H new ATOM 0 HD11 ILE A 85 -5.457 -2.954 14.640 1.00 4.02 H new ATOM 0 HD12 ILE A 85 -4.660 -3.171 13.063 1.00 4.02 H new ATOM 0 HD13 ILE A 85 -5.028 -4.587 14.077 1.00 4.02 H new ATOM 1189 N LEU A 86 0.812 -3.868 13.023 1.00 5.32 N ATOM 1190 CA LEU A 86 1.819 -4.364 12.085 1.00 1.13 C ATOM 1191 C LEU A 86 3.184 -4.522 12.753 1.00 71.50 C ATOM 1192 O LEU A 86 3.952 -5.394 12.358 1.00 23.23 O ATOM 1193 CB LEU A 86 1.984 -3.458 10.851 1.00 5.22 C ATOM 1194 CG LEU A 86 0.731 -3.022 10.068 1.00 11.01 C ATOM 1195 CD1 LEU A 86 1.125 -2.682 8.626 1.00 0.01 C ATOM 1196 CD2 LEU A 86 -0.424 -4.034 10.095 1.00 44.21 C ATOM 0 H LEU A 86 0.534 -2.902 12.851 1.00 5.32 H new ATOM 0 HA LEU A 86 1.451 -5.336 11.758 1.00 1.13 H new ATOM 0 HB2 LEU A 86 2.501 -2.554 11.174 1.00 5.22 H new ATOM 0 HB3 LEU A 86 2.646 -3.971 10.153 1.00 5.22 H new ATOM 0 HG LEU A 86 0.341 -2.140 10.576 1.00 11.01 H new ATOM 0 HD11 LEU A 86 0.240 -2.373 8.070 1.00 0.01 H new ATOM 0 HD12 LEU A 86 1.853 -1.871 8.629 1.00 0.01 H new ATOM 0 HD13 LEU A 86 1.563 -3.560 8.152 1.00 0.01 H new ATOM 0 HD21 LEU A 86 -1.263 -3.644 9.519 1.00 44.21 H new ATOM 0 HD22 LEU A 86 -0.092 -4.977 9.660 1.00 44.21 H new ATOM 0 HD23 LEU A 86 -0.738 -4.201 11.125 1.00 44.21 H new ATOM 1207 N GLN A 87 3.475 -3.731 13.791 1.00 74.31 N ATOM 1208 CA GLN A 87 4.717 -3.822 14.563 1.00 71.40 C ATOM 1209 C GLN A 87 4.851 -5.179 15.280 1.00 45.14 C ATOM 1210 O GLN A 87 5.903 -5.449 15.870 1.00 34.25 O ATOM 1211 CB GLN A 87 4.770 -2.668 15.581 1.00 53.23 C ATOM 1212 CG GLN A 87 4.903 -1.284 14.916 1.00 44.20 C ATOM 1213 CD GLN A 87 6.323 -0.746 14.735 1.00 71.02 C ATOM 1214 OE1 GLN A 87 7.329 -1.390 15.015 1.00 22.25 O ATOM 1215 NE2 GLN A 87 6.434 0.492 14.280 1.00 23.35 N ATOM 0 H GLN A 87 2.846 -3.000 14.122 1.00 74.31 H new ATOM 0 HA GLN A 87 5.555 -3.742 13.871 1.00 71.40 H new ATOM 0 HB2 GLN A 87 3.867 -2.687 16.191 1.00 53.23 H new ATOM 0 HB3 GLN A 87 5.612 -2.824 16.255 1.00 53.23 H new ATOM 0 HG2 GLN A 87 4.428 -1.330 13.936 1.00 44.20 H new ATOM 0 HG3 GLN A 87 4.339 -0.565 15.510 1.00 44.20 H new ATOM 0 HE21 GLN A 87 5.597 1.027 14.047 1.00 23.35 H new ATOM 0 HE22 GLN A 87 7.356 0.911 14.162 1.00 23.35 H new ATOM 1222 N ALA A 88 3.815 -6.028 15.257 1.00 24.51 N ATOM 1223 CA ALA A 88 3.746 -7.296 15.967 1.00 45.21 C ATOM 1224 C ALA A 88 3.834 -8.516 15.040 1.00 3.45 C ATOM 1225 O ALA A 88 3.744 -9.644 15.530 1.00 12.21 O ATOM 1226 CB ALA A 88 2.455 -7.329 16.787 1.00 74.13 C ATOM 0 H ALA A 88 2.971 -5.835 14.718 1.00 24.51 H new ATOM 0 HA ALA A 88 4.616 -7.361 16.621 1.00 45.21 H new ATOM 0 HB1 ALA A 88 2.390 -8.275 17.325 1.00 74.13 H new ATOM 0 HB2 ALA A 88 2.456 -6.505 17.500 1.00 74.13 H new ATOM 0 HB3 ALA A 88 1.598 -7.231 16.121 1.00 74.13 H new ATOM 1232 N LEU A 89 4.002 -8.332 13.727 1.00 41.00 N ATOM 1233 CA LEU A 89 4.105 -9.430 12.764 1.00 72.44 C ATOM 1234 C LEU A 89 5.334 -9.225 11.890 1.00 30.55 C ATOM 1235 O LEU A 89 5.814 -8.099 11.768 1.00 45.02 O ATOM 1236 CB LEU A 89 2.805 -9.546 11.943 1.00 32.12 C ATOM 1237 CG LEU A 89 2.518 -8.414 10.930 1.00 21.15 C ATOM 1238 CD1 LEU A 89 3.104 -8.695 9.544 1.00 41.44 C ATOM 1239 CD2 LEU A 89 1.007 -8.196 10.796 1.00 21.12 C ATOM 0 H LEU A 89 4.071 -7.408 13.300 1.00 41.00 H new ATOM 0 HA LEU A 89 4.229 -10.377 13.289 1.00 72.44 H new ATOM 0 HB2 LEU A 89 2.829 -10.490 11.399 1.00 32.12 H new ATOM 0 HB3 LEU A 89 1.967 -9.600 12.638 1.00 32.12 H new ATOM 0 HG LEU A 89 3.001 -7.519 11.321 1.00 21.15 H new ATOM 0 HD11 LEU A 89 2.871 -7.866 8.876 1.00 41.44 H new ATOM 0 HD12 LEU A 89 4.186 -8.805 9.622 1.00 41.44 H new ATOM 0 HD13 LEU A 89 2.673 -9.614 9.146 1.00 41.44 H new ATOM 0 HD21 LEU A 89 0.817 -7.396 10.080 1.00 21.12 H new ATOM 0 HD22 LEU A 89 0.536 -9.115 10.447 1.00 21.12 H new ATOM 0 HD23 LEU A 89 0.592 -7.921 11.766 1.00 21.12 H new ATOM 1250 N HIS A 90 5.799 -10.293 11.244 1.00 64.11 N ATOM 1251 CA HIS A 90 6.871 -10.268 10.252 1.00 34.23 C ATOM 1252 C HIS A 90 6.359 -10.923 8.960 1.00 51.44 C ATOM 1253 O HIS A 90 5.466 -11.773 9.028 1.00 43.32 O ATOM 1254 CB HIS A 90 8.145 -10.926 10.815 1.00 22.22 C ATOM 1255 CG HIS A 90 8.035 -12.356 11.301 1.00 22.54 C ATOM 1256 ND1 HIS A 90 7.010 -13.251 11.068 1.00 24.54 N ATOM 1257 CD2 HIS A 90 8.967 -12.996 12.073 1.00 22.15 C ATOM 1258 CE1 HIS A 90 7.323 -14.405 11.681 1.00 72.12 C ATOM 1259 NE2 HIS A 90 8.510 -14.300 12.311 1.00 22.44 N ATOM 0 H HIS A 90 5.427 -11.230 11.402 1.00 64.11 H new ATOM 0 HA HIS A 90 7.154 -9.243 10.012 1.00 34.23 H new ATOM 0 HB2 HIS A 90 8.912 -10.891 10.041 1.00 22.22 H new ATOM 0 HB3 HIS A 90 8.501 -10.315 11.644 1.00 22.22 H new ATOM 0 HD1 HIS A 90 6.165 -13.069 10.527 1.00 24.54 H new ATOM 0 HD2 HIS A 90 9.892 -12.571 12.435 1.00 22.15 H new ATOM 0 HE1 HIS A 90 6.709 -15.293 11.670 1.00 72.12 H new ATOM 1266 N PRO A 91 6.854 -10.523 7.776 1.00 73.41 N ATOM 1267 CA PRO A 91 6.286 -10.978 6.511 1.00 42.00 C ATOM 1268 C PRO A 91 6.685 -12.418 6.156 1.00 52.13 C ATOM 1269 O PRO A 91 7.706 -12.904 6.641 1.00 11.41 O ATOM 1270 CB PRO A 91 6.809 -9.986 5.469 1.00 31.24 C ATOM 1271 CG PRO A 91 8.148 -9.539 6.050 1.00 40.21 C ATOM 1272 CD PRO A 91 7.866 -9.502 7.550 1.00 23.33 C ATOM 0 HA PRO A 91 5.197 -11.002 6.560 1.00 42.00 H new ATOM 0 HB2 PRO A 91 6.931 -10.455 4.493 1.00 31.24 H new ATOM 0 HB3 PRO A 91 6.128 -9.146 5.336 1.00 31.24 H new ATOM 0 HG2 PRO A 91 8.949 -10.237 5.805 1.00 40.21 H new ATOM 0 HG3 PRO A 91 8.449 -8.563 5.670 1.00 40.21 H new ATOM 0 HD2 PRO A 91 8.769 -9.709 8.125 1.00 23.33 H new ATOM 0 HD3 PRO A 91 7.509 -8.519 7.859 1.00 23.33 H new ATOM 1277 N PRO A 92 5.930 -13.078 5.254 1.00 43.44 N ATOM 1278 CA PRO A 92 6.255 -14.417 4.776 1.00 72.11 C ATOM 1279 C PRO A 92 7.415 -14.384 3.772 1.00 32.45 C ATOM 1280 O PRO A 92 8.214 -15.324 3.722 1.00 14.41 O ATOM 1281 CB PRO A 92 4.957 -14.936 4.145 1.00 32.51 C ATOM 1282 CG PRO A 92 4.268 -13.669 3.635 1.00 55.22 C ATOM 1283 CD PRO A 92 4.695 -12.600 4.642 1.00 2.31 C ATOM 0 HA PRO A 92 6.596 -15.071 5.579 1.00 72.11 H new ATOM 0 HB2 PRO A 92 5.158 -15.636 3.334 1.00 32.51 H new ATOM 0 HB3 PRO A 92 4.340 -15.461 4.874 1.00 32.51 H new ATOM 0 HG2 PRO A 92 4.587 -13.418 2.624 1.00 55.22 H new ATOM 0 HG3 PRO A 92 3.184 -13.785 3.608 1.00 55.22 H new ATOM 0 HD2 PRO A 92 4.853 -11.642 4.147 1.00 2.31 H new ATOM 0 HD3 PRO A 92 3.923 -12.446 5.396 1.00 2.31 H new ATOM 1288 N LEU A 93 7.505 -13.313 2.974 1.00 40.12 N ATOM 1289 CA LEU A 93 8.627 -13.048 2.089 1.00 54.12 C ATOM 1290 C LEU A 93 9.759 -12.454 2.901 1.00 35.52 C ATOM 1291 O LEU A 93 9.583 -11.403 3.525 1.00 31.33 O ATOM 1292 CB LEU A 93 8.244 -12.063 0.970 1.00 44.10 C ATOM 1293 CG LEU A 93 7.792 -12.772 -0.320 1.00 52.20 C ATOM 1294 CD1 LEU A 93 6.344 -12.449 -0.677 1.00 22.12 C ATOM 1295 CD2 LEU A 93 8.738 -12.478 -1.486 1.00 42.43 C ATOM 0 H LEU A 93 6.780 -12.596 2.931 1.00 40.12 H new ATOM 0 HA LEU A 93 8.929 -13.988 1.627 1.00 54.12 H new ATOM 0 HB2 LEU A 93 7.442 -11.414 1.322 1.00 44.10 H new ATOM 0 HB3 LEU A 93 9.098 -11.423 0.747 1.00 44.10 H new ATOM 0 HG LEU A 93 7.838 -13.843 -0.124 1.00 52.20 H new ATOM 0 HD11 LEU A 93 6.070 -12.971 -1.594 1.00 22.12 H new ATOM 0 HD12 LEU A 93 5.689 -12.770 0.133 1.00 22.12 H new ATOM 0 HD13 LEU A 93 6.237 -11.375 -0.826 1.00 22.12 H new ATOM 0 HD21 LEU A 93 8.387 -12.995 -2.379 1.00 42.43 H new ATOM 0 HD22 LEU A 93 8.761 -11.405 -1.674 1.00 42.43 H new ATOM 0 HD23 LEU A 93 9.741 -12.824 -1.237 1.00 42.43 H new ATOM 1306 N THR A 94 10.934 -13.052 2.772 1.00 55.10 N ATOM 1307 CA THR A 94 12.179 -12.582 3.342 1.00 3.42 C ATOM 1308 C THR A 94 13.249 -12.679 2.250 1.00 22.24 C ATOM 1309 O THR A 94 14.171 -13.502 2.276 1.00 42.23 O ATOM 1310 CB THR A 94 12.505 -13.406 4.579 1.00 51.20 C ATOM 1311 OG1 THR A 94 11.396 -13.636 5.424 1.00 20.21 O ATOM 1312 CG2 THR A 94 13.570 -12.702 5.400 1.00 11.32 C ATOM 0 H THR A 94 11.046 -13.917 2.243 1.00 55.10 H new ATOM 0 HA THR A 94 12.120 -11.544 3.670 1.00 3.42 H new ATOM 0 HB THR A 94 12.846 -14.372 4.205 1.00 51.20 H new ATOM 0 HG1 THR A 94 11.678 -14.171 6.195 1.00 20.21 H new ATOM 0 HG21 THR A 94 13.800 -13.296 6.284 1.00 11.32 H new ATOM 0 HG22 THR A 94 14.472 -12.582 4.800 1.00 11.32 H new ATOM 0 HG23 THR A 94 13.205 -11.722 5.706 1.00 11.32 H new ATOM 1320 N ILE A 95 13.063 -11.860 1.225 1.00 11.44 N ATOM 1321 CA ILE A 95 13.971 -11.767 0.088 1.00 15.43 C ATOM 1322 C ILE A 95 15.314 -11.276 0.620 1.00 0.01 C ATOM 1323 O ILE A 95 15.342 -10.366 1.441 1.00 52.23 O ATOM 1324 CB ILE A 95 13.375 -10.886 -1.038 1.00 0.45 C ATOM 1325 CG1 ILE A 95 14.125 -11.021 -2.379 1.00 74.22 C ATOM 1326 CG2 ILE A 95 13.343 -9.390 -0.679 1.00 74.14 C ATOM 1327 CD1 ILE A 95 14.094 -12.421 -2.995 1.00 1.02 C ATOM 0 H ILE A 95 12.264 -11.230 1.158 1.00 11.44 H new ATOM 0 HA ILE A 95 14.121 -12.738 -0.384 1.00 15.43 H new ATOM 0 HB ILE A 95 12.358 -11.264 -1.147 1.00 0.45 H new ATOM 0 HG12 ILE A 95 13.696 -10.317 -3.091 1.00 74.22 H new ATOM 0 HG13 ILE A 95 15.164 -10.729 -2.229 1.00 74.22 H new ATOM 0 HG21 ILE A 95 12.915 -8.826 -1.508 1.00 74.14 H new ATOM 0 HG22 ILE A 95 12.734 -9.243 0.213 1.00 74.14 H new ATOM 0 HG23 ILE A 95 14.357 -9.040 -0.488 1.00 74.14 H new ATOM 0 HD11 ILE A 95 14.647 -12.418 -3.934 1.00 1.02 H new ATOM 0 HD12 ILE A 95 14.552 -13.131 -2.307 1.00 1.02 H new ATOM 0 HD13 ILE A 95 13.061 -12.713 -3.183 1.00 1.02 H new ATOM 1338 N ASP A 96 16.423 -11.893 0.213 1.00 24.55 N ATOM 1339 CA ASP A 96 17.785 -11.511 0.617 1.00 54.11 C ATOM 1340 C ASP A 96 17.966 -11.461 2.145 1.00 53.04 C ATOM 1341 O ASP A 96 18.862 -10.785 2.652 1.00 0.12 O ATOM 1342 CB ASP A 96 18.209 -10.181 -0.033 1.00 53.41 C ATOM 1343 CG ASP A 96 18.239 -10.229 -1.552 1.00 44.01 C ATOM 1344 OD1 ASP A 96 19.158 -10.854 -2.119 1.00 2.14 O ATOM 1345 OD2 ASP A 96 17.365 -9.604 -2.193 1.00 40.21 O ATOM 0 H ASP A 96 16.404 -12.691 -0.422 1.00 24.55 H new ATOM 0 HA ASP A 96 18.444 -12.298 0.251 1.00 54.11 H new ATOM 0 HB2 ASP A 96 17.522 -9.396 0.284 1.00 53.41 H new ATOM 0 HB3 ASP A 96 19.198 -9.906 0.333 1.00 53.41 H new ATOM 1349 N GLY A 97 17.108 -12.140 2.915 1.00 51.31 N ATOM 1350 CA GLY A 97 17.148 -12.113 4.373 1.00 14.43 C ATOM 1351 C GLY A 97 16.451 -10.890 4.990 1.00 54.23 C ATOM 1352 O GLY A 97 16.570 -10.693 6.200 1.00 22.32 O ATOM 0 H GLY A 97 16.364 -12.726 2.537 1.00 51.31 H new ATOM 0 HA2 GLY A 97 16.679 -13.019 4.757 1.00 14.43 H new ATOM 0 HA3 GLY A 97 18.188 -12.130 4.699 1.00 14.43 H new ATOM 1356 N LYS A 98 15.716 -10.068 4.229 1.00 30.44 N ATOM 1357 CA LYS A 98 15.219 -8.773 4.693 1.00 22.12 C ATOM 1358 C LYS A 98 13.729 -8.754 4.970 1.00 74.32 C ATOM 1359 O LYS A 98 12.925 -9.255 4.183 1.00 14.22 O ATOM 1360 CB LYS A 98 15.755 -7.660 3.818 1.00 64.44 C ATOM 1361 CG LYS A 98 15.122 -7.458 2.441 1.00 2.15 C ATOM 1362 CD LYS A 98 14.424 -6.106 2.493 1.00 44.51 C ATOM 1363 CE LYS A 98 15.365 -4.922 2.201 1.00 15.25 C ATOM 1364 NZ LYS A 98 16.645 -4.871 2.931 1.00 31.03 N ATOM 0 H LYS A 98 15.450 -10.287 3.269 1.00 30.44 H new ATOM 0 HA LYS A 98 15.623 -8.581 5.687 1.00 22.12 H new ATOM 0 HB2 LYS A 98 15.657 -6.725 4.370 1.00 64.44 H new ATOM 0 HB3 LYS A 98 16.821 -7.834 3.673 1.00 64.44 H new ATOM 0 HG2 LYS A 98 15.879 -7.476 1.657 1.00 2.15 H new ATOM 0 HG3 LYS A 98 14.413 -8.255 2.217 1.00 2.15 H new ATOM 0 HD2 LYS A 98 13.607 -6.099 1.771 1.00 44.51 H new ATOM 0 HD3 LYS A 98 13.979 -5.973 3.479 1.00 44.51 H new ATOM 0 HE2 LYS A 98 15.587 -4.924 1.134 1.00 15.25 H new ATOM 0 HE3 LYS A 98 14.821 -4.001 2.411 1.00 15.25 H new ATOM 0 HZ1 LYS A 98 17.287 -4.201 2.461 1.00 31.03 H new ATOM 0 HZ2 LYS A 98 16.475 -4.559 3.908 1.00 31.03 H new ATOM 0 HZ3 LYS A 98 17.078 -5.817 2.940 1.00 31.03 H new ATOM 1374 N THR A 99 13.360 -8.161 6.101 1.00 73.22 N ATOM 1375 CA THR A 99 12.002 -8.115 6.612 1.00 73.50 C ATOM 1376 C THR A 99 11.501 -6.680 6.532 1.00 2.42 C ATOM 1377 O THR A 99 12.183 -5.722 6.903 1.00 23.34 O ATOM 1378 CB THR A 99 11.930 -8.678 8.036 1.00 45.00 C ATOM 1379 OG1 THR A 99 12.946 -8.139 8.867 1.00 74.50 O ATOM 1380 CG2 THR A 99 12.032 -10.201 8.011 1.00 32.11 C ATOM 0 H THR A 99 14.027 -7.682 6.707 1.00 73.22 H new ATOM 0 HA THR A 99 11.353 -8.746 6.004 1.00 73.50 H new ATOM 0 HB THR A 99 10.966 -8.387 8.454 1.00 45.00 H new ATOM 0 HG1 THR A 99 12.868 -8.519 9.767 1.00 74.50 H new ATOM 0 HG21 THR A 99 11.979 -10.586 9.029 1.00 32.11 H new ATOM 0 HG22 THR A 99 11.209 -10.611 7.425 1.00 32.11 H new ATOM 0 HG23 THR A 99 12.980 -10.495 7.561 1.00 32.11 H new ATOM 1388 N ILE A 100 10.316 -6.529 5.962 1.00 61.13 N ATOM 1389 CA ILE A 100 9.754 -5.251 5.569 1.00 53.52 C ATOM 1390 C ILE A 100 9.542 -4.416 6.829 1.00 64.33 C ATOM 1391 O ILE A 100 9.139 -4.948 7.870 1.00 64.43 O ATOM 1392 CB ILE A 100 8.457 -5.532 4.782 1.00 33.31 C ATOM 1393 CG1 ILE A 100 8.680 -6.337 3.459 1.00 75.31 C ATOM 1394 CG2 ILE A 100 7.643 -4.239 4.564 1.00 75.43 C ATOM 1395 CD1 ILE A 100 10.115 -6.712 3.012 1.00 13.43 C ATOM 0 H ILE A 100 9.702 -7.317 5.755 1.00 61.13 H new ATOM 0 HA ILE A 100 10.412 -4.677 4.917 1.00 53.52 H new ATOM 0 HB ILE A 100 7.859 -6.195 5.407 1.00 33.31 H new ATOM 0 HG12 ILE A 100 8.115 -7.265 3.545 1.00 75.31 H new ATOM 0 HG13 ILE A 100 8.228 -5.763 2.650 1.00 75.31 H new ATOM 0 HG21 ILE A 100 6.735 -4.470 4.007 1.00 75.43 H new ATOM 0 HG22 ILE A 100 7.376 -3.810 5.530 1.00 75.43 H new ATOM 0 HG23 ILE A 100 8.242 -3.523 4.001 1.00 75.43 H new ATOM 0 HD11 ILE A 100 10.071 -7.267 2.075 1.00 13.43 H new ATOM 0 HD12 ILE A 100 10.700 -5.804 2.869 1.00 13.43 H new ATOM 0 HD13 ILE A 100 10.585 -7.330 3.778 1.00 13.43 H new ATOM 1406 N ASN A 101 9.809 -3.117 6.729 1.00 24.15 N ATOM 1407 CA ASN A 101 9.606 -2.194 7.835 1.00 64.00 C ATOM 1408 C ASN A 101 8.259 -1.529 7.667 1.00 11.25 C ATOM 1409 O ASN A 101 7.769 -1.352 6.551 1.00 32.15 O ATOM 1410 CB ASN A 101 10.683 -1.115 7.836 1.00 74.30 C ATOM 1411 CG ASN A 101 11.976 -1.587 8.448 1.00 74.30 C ATOM 1412 OD1 ASN A 101 12.299 -2.769 8.510 1.00 70.01 O ATOM 1413 ND2 ASN A 101 12.788 -0.650 8.867 1.00 10.32 N ATOM 0 H ASN A 101 10.170 -2.679 5.882 1.00 24.15 H new ATOM 0 HA ASN A 101 9.655 -2.747 8.773 1.00 64.00 H new ATOM 0 HB2 ASN A 101 10.867 -0.790 6.812 1.00 74.30 H new ATOM 0 HB3 ASN A 101 10.321 -0.246 8.386 1.00 74.30 H new ATOM 0 HD21 ASN A 101 13.700 -0.899 9.250 1.00 10.32 H new ATOM 0 HD22 ASN A 101 12.509 0.329 8.811 1.00 10.32 H new ATOM 1419 N VAL A 102 7.689 -1.087 8.785 1.00 24.43 N ATOM 1420 CA VAL A 102 6.373 -0.508 8.848 1.00 22.02 C ATOM 1421 C VAL A 102 6.532 0.972 9.210 1.00 32.14 C ATOM 1422 O VAL A 102 7.439 1.335 9.968 1.00 73.04 O ATOM 1423 CB VAL A 102 5.591 -1.299 9.899 1.00 5.11 C ATOM 1424 CG1 VAL A 102 5.393 -2.766 9.495 1.00 21.04 C ATOM 1425 CG2 VAL A 102 6.106 -1.189 11.333 1.00 22.22 C ATOM 0 H VAL A 102 8.153 -1.128 9.692 1.00 24.43 H new ATOM 0 HA VAL A 102 5.829 -0.558 7.905 1.00 22.02 H new ATOM 0 HB VAL A 102 4.620 -0.803 9.914 1.00 5.11 H new ATOM 0 HG11 VAL A 102 4.833 -3.285 10.273 1.00 21.04 H new ATOM 0 HG12 VAL A 102 4.840 -2.814 8.557 1.00 21.04 H new ATOM 0 HG13 VAL A 102 6.365 -3.243 9.368 1.00 21.04 H new ATOM 0 HG21 VAL A 102 5.478 -1.788 11.992 1.00 22.22 H new ATOM 0 HG22 VAL A 102 7.132 -1.553 11.380 1.00 22.22 H new ATOM 0 HG23 VAL A 102 6.076 -0.147 11.652 1.00 22.22 H new ATOM 1435 N GLU A 103 5.717 1.840 8.603 1.00 1.11 N ATOM 1436 CA GLU A 103 5.744 3.289 8.778 1.00 63.00 C ATOM 1437 C GLU A 103 4.416 3.861 8.252 1.00 64.42 C ATOM 1438 O GLU A 103 3.497 3.112 7.917 1.00 62.44 O ATOM 1439 CB GLU A 103 6.988 3.856 8.071 1.00 3.54 C ATOM 1440 CG GLU A 103 7.301 5.323 8.378 1.00 1.22 C ATOM 1441 CD GLU A 103 8.809 5.578 8.526 1.00 50.42 C ATOM 1442 OE1 GLU A 103 9.493 4.883 9.311 1.00 34.33 O ATOM 1443 OE2 GLU A 103 9.327 6.538 7.912 1.00 63.23 O ATOM 0 H GLU A 103 4.993 1.537 7.951 1.00 1.11 H new ATOM 0 HA GLU A 103 5.827 3.576 9.826 1.00 63.00 H new ATOM 0 HB2 GLU A 103 7.851 3.251 8.349 1.00 3.54 H new ATOM 0 HB3 GLU A 103 6.856 3.747 6.995 1.00 3.54 H new ATOM 0 HG2 GLU A 103 6.905 5.951 7.580 1.00 1.22 H new ATOM 0 HG3 GLU A 103 6.793 5.616 9.297 1.00 1.22 H new ATOM 1448 N PHE A 104 4.269 5.185 8.239 1.00 52.11 N ATOM 1449 CA PHE A 104 3.086 5.898 7.811 1.00 3.13 C ATOM 1450 C PHE A 104 3.490 7.272 7.239 1.00 14.25 C ATOM 1451 O PHE A 104 4.631 7.704 7.434 1.00 51.33 O ATOM 1452 CB PHE A 104 2.110 5.955 8.990 1.00 13.22 C ATOM 1453 CG PHE A 104 2.369 7.007 10.047 1.00 34.01 C ATOM 1454 CD1 PHE A 104 3.662 7.217 10.559 1.00 74.03 C ATOM 1455 CD2 PHE A 104 1.302 7.797 10.508 1.00 21.41 C ATOM 1456 CE1 PHE A 104 3.907 8.272 11.447 1.00 5.14 C ATOM 1457 CE2 PHE A 104 1.544 8.853 11.400 1.00 32.21 C ATOM 1458 CZ PHE A 104 2.852 9.108 11.840 1.00 23.42 C ATOM 0 H PHE A 104 5.014 5.812 8.543 1.00 52.11 H new ATOM 0 HA PHE A 104 2.568 5.389 6.998 1.00 3.13 H new ATOM 0 HB2 PHE A 104 1.108 6.114 8.592 1.00 13.22 H new ATOM 0 HB3 PHE A 104 2.109 4.979 9.476 1.00 13.22 H new ATOM 0 HD1 PHE A 104 4.469 6.562 10.266 1.00 74.03 H new ATOM 0 HD2 PHE A 104 0.295 7.591 10.176 1.00 21.41 H new ATOM 0 HE1 PHE A 104 4.904 8.441 11.827 1.00 5.14 H new ATOM 0 HE2 PHE A 104 0.726 9.467 11.747 1.00 32.21 H new ATOM 0 HZ PHE A 104 3.047 9.952 12.485 1.00 23.42 H new ATOM 1467 N ALA A 105 2.592 7.948 6.509 1.00 75.24 N ATOM 1468 CA ALA A 105 2.930 9.155 5.735 1.00 43.10 C ATOM 1469 C ALA A 105 1.846 10.250 5.751 1.00 64.42 C ATOM 1470 O ALA A 105 1.793 11.086 4.849 1.00 72.23 O ATOM 1471 CB ALA A 105 3.277 8.727 4.301 1.00 53.31 C ATOM 0 H ALA A 105 1.612 7.676 6.437 1.00 75.24 H new ATOM 0 HA ALA A 105 3.787 9.625 6.217 1.00 43.10 H new ATOM 0 HB1 ALA A 105 3.531 9.607 3.710 1.00 53.31 H new ATOM 0 HB2 ALA A 105 4.127 8.045 4.320 1.00 53.31 H new ATOM 0 HB3 ALA A 105 2.419 8.224 3.854 1.00 53.31 H new ATOM 1477 N LYS A 106 0.953 10.244 6.739 1.00 52.52 N ATOM 1478 CA LYS A 106 -0.181 11.171 6.807 1.00 41.34 C ATOM 1479 C LYS A 106 0.193 12.629 7.113 1.00 22.35 C ATOM 1480 O LYS A 106 1.269 12.898 7.655 1.00 40.40 O ATOM 1481 CB LYS A 106 -1.176 10.635 7.837 1.00 42.11 C ATOM 1482 CG LYS A 106 -0.631 10.615 9.274 1.00 1.33 C ATOM 1483 CD LYS A 106 -1.262 11.744 10.087 1.00 74.22 C ATOM 1484 CE LYS A 106 -2.643 11.317 10.581 1.00 13.24 C ATOM 1485 NZ LYS A 106 -2.571 10.352 11.693 1.00 62.00 N ATOM 0 H LYS A 106 0.994 9.592 7.522 1.00 52.52 H new ATOM 0 HA LYS A 106 -0.622 11.211 5.811 1.00 41.34 H new ATOM 0 HB2 LYS A 106 -2.078 11.246 7.809 1.00 42.11 H new ATOM 0 HB3 LYS A 106 -1.467 9.623 7.555 1.00 42.11 H new ATOM 0 HG2 LYS A 106 -0.848 9.654 9.741 1.00 1.33 H new ATOM 0 HG3 LYS A 106 0.453 10.726 9.262 1.00 1.33 H new ATOM 0 HD2 LYS A 106 -0.624 11.995 10.935 1.00 74.22 H new ATOM 0 HD3 LYS A 106 -1.346 12.642 9.475 1.00 74.22 H new ATOM 0 HE2 LYS A 106 -3.198 12.198 10.904 1.00 13.24 H new ATOM 0 HE3 LYS A 106 -3.200 10.874 9.755 1.00 13.24 H new ATOM 0 HZ1 LYS A 106 -3.500 10.287 12.157 1.00 62.00 H new ATOM 0 HZ2 LYS A 106 -2.301 9.417 11.325 1.00 62.00 H new ATOM 0 HZ3 LYS A 106 -1.861 10.670 12.383 1.00 62.00 H new