USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 717 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: B 51 TYR OH : rot 21:sc= 2.09 USER MOD Set 1.2: B 55 GLN : amide:sc= 0.954 K(o=3,f=1.1) USER MOD Set 2.1: A 51 TYR OH : rot 179:sc= 0.305 USER MOD Set 2.2: A 55 GLN : amide:sc= 1.17 K(o=1.5,f=-0.82) USER MOD Set 3.1: A 25 TYR OH : rot -116:sc= 1.29 USER MOD Set 3.2: A 47 ASN : amide:sc= -0.443 K(o=0.85,f=-4.8!) USER MOD Set 4.1: A 21 GLN : amide:sc= -1.07! K(o=1.6!,f=0.28) USER MOD Set 4.2: A 35 TYR OH : rot -109:sc= 1.49 USER MOD Set 4.3: B 61 LYS NZ :NH3+ -159:sc= 1.16 (180deg=-0.301) USER MOD Single : A 30 THR OG1 : rot -62:sc= 1.18 USER MOD Single : A 61 LYS NZ :NH3+ 159:sc= -1.91! (180deg=-2.09!) USER MOD Single : A 62 ASN : amide:sc= 0.57 K(o=0.57,f=-4.2!) USER MOD Single : B 21 GLN : amide:sc= -5.6! C(o=-5.6!,f=-11!) USER MOD Single : B 25 TYR OH : rot 30:sc= -0.523 USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.799 USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 ASN : amide:sc= -0.599 K(o=-0.6,f=-2.2) USER MOD Single : B 62 ASN : amide:sc= -0.143 K(o=-0.14,f=-3.9!) USER MOD Single : B 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 297 N ASP A 19 25.533 4.108 4.268 1.00 0.00 N ATOM 298 CA ASP A 19 25.001 4.996 3.242 1.00 0.00 C ATOM 299 C ASP A 19 25.880 4.992 2.002 1.00 0.00 C ATOM 300 O ASP A 19 26.673 5.909 1.782 1.00 0.00 O ATOM 301 CB ASP A 19 24.853 6.423 3.776 1.00 0.00 C ATOM 302 CG ASP A 19 23.830 6.526 4.890 1.00 0.00 C ATOM 303 OD1 ASP A 19 24.156 6.149 6.036 1.00 0.00 O ATOM 304 OD2 ASP A 19 22.702 6.996 4.630 1.00 0.00 O ATOM 0 HA ASP A 19 24.015 4.623 2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 19 25.819 6.772 4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 19 24.563 7.084 2.959 1.00 0.00 H new ATOM 309 N VAL A 20 25.765 3.934 1.217 1.00 0.00 N ATOM 310 CA VAL A 20 26.472 3.839 -0.050 1.00 0.00 C ATOM 311 C VAL A 20 25.461 3.764 -1.184 1.00 0.00 C ATOM 312 O VAL A 20 24.913 2.701 -1.477 1.00 0.00 O ATOM 313 CB VAL A 20 27.403 2.609 -0.102 1.00 0.00 C ATOM 314 CG1 VAL A 20 28.269 2.642 -1.352 1.00 0.00 C ATOM 315 CG2 VAL A 20 28.265 2.532 1.148 1.00 0.00 C ATOM 0 H VAL A 20 25.185 3.124 1.436 1.00 0.00 H new ATOM 0 HA VAL A 20 27.095 4.727 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 20 26.782 1.714 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 20 28.917 1.766 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 20 27.632 2.639 -2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 20 28.879 3.545 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 20 28.913 1.658 1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 20 28.875 3.432 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 20 27.625 2.451 2.027 1.00 0.00 H new ATOM 325 N GLN A 21 25.196 4.903 -1.800 1.00 0.00 N ATOM 326 CA GLN A 21 24.154 5.002 -2.807 1.00 0.00 C ATOM 327 C GLN A 21 24.742 5.161 -4.205 1.00 0.00 C ATOM 328 O GLN A 21 25.893 5.564 -4.369 1.00 0.00 O ATOM 329 CB GLN A 21 23.236 6.186 -2.496 1.00 0.00 C ATOM 330 CG GLN A 21 23.983 7.497 -2.312 1.00 0.00 C ATOM 331 CD GLN A 21 23.064 8.697 -2.328 1.00 0.00 C ATOM 332 OE1 GLN A 21 22.556 9.134 -1.296 1.00 0.00 O ATOM 333 NE2 GLN A 21 22.844 9.241 -3.509 1.00 0.00 N ATOM 0 H GLN A 21 25.691 5.776 -1.619 1.00 0.00 H new ATOM 0 HA GLN A 21 23.579 4.076 -2.784 1.00 0.00 H new ATOM 0 HB2 GLN A 21 22.514 6.298 -3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 21 22.670 5.969 -1.590 1.00 0.00 H new ATOM 0 HG2 GLN A 21 24.526 7.472 -1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 21 24.725 7.602 -3.103 1.00 0.00 H new ATOM 0 HE21 GLN A 21 23.284 8.849 -4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 21 22.234 10.054 -3.590 1.00 0.00 H new ATOM 342 N ILE A 22 23.941 4.840 -5.209 1.00 0.00 N ATOM 343 CA ILE A 22 24.331 5.026 -6.597 1.00 0.00 C ATOM 344 C ILE A 22 23.213 5.757 -7.335 1.00 0.00 C ATOM 345 O ILE A 22 22.062 5.735 -6.901 1.00 0.00 O ATOM 346 CB ILE A 22 24.621 3.679 -7.305 1.00 0.00 C ATOM 347 CG1 ILE A 22 25.674 2.870 -6.544 1.00 0.00 C ATOM 348 CG2 ILE A 22 25.096 3.912 -8.728 1.00 0.00 C ATOM 349 CD1 ILE A 22 26.092 1.614 -7.276 1.00 0.00 C ATOM 0 H ILE A 22 23.008 4.446 -5.086 1.00 0.00 H new ATOM 0 HA ILE A 22 25.250 5.612 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 22 23.690 3.113 -7.324 1.00 0.00 H new ATOM 0 HG12 ILE A 22 26.551 3.494 -6.373 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.280 2.600 -5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.294 2.953 -9.207 1.00 0.00 H new ATOM 0 HG22 ILE A 22 24.326 4.444 -9.286 1.00 0.00 H new ATOM 0 HG23 ILE A 22 26.010 4.506 -8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.840 1.082 -6.688 1.00 0.00 H new ATOM 0 HD12 ILE A 22 25.223 0.973 -7.424 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.514 1.881 -8.245 1.00 0.00 H new ATOM 361 N ASP A 23 23.559 6.424 -8.428 1.00 0.00 N ATOM 362 CA ASP A 23 22.588 7.122 -9.247 1.00 0.00 C ATOM 363 C ASP A 23 21.828 6.127 -10.124 1.00 0.00 C ATOM 364 O ASP A 23 21.916 4.914 -9.928 1.00 0.00 O ATOM 365 CB ASP A 23 23.304 8.145 -10.129 1.00 0.00 C ATOM 366 CG ASP A 23 24.124 7.483 -11.218 1.00 0.00 C ATOM 367 OD1 ASP A 23 25.096 6.766 -10.889 1.00 0.00 O ATOM 368 OD2 ASP A 23 23.776 7.655 -12.401 1.00 0.00 O ATOM 0 H ASP A 23 24.518 6.494 -8.768 1.00 0.00 H new ATOM 0 HA ASP A 23 21.878 7.635 -8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 23 22.569 8.810 -10.583 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.955 8.764 -9.511 1.00 0.00 H new ATOM 373 N PHE A 24 21.095 6.647 -11.095 1.00 0.00 N ATOM 374 CA PHE A 24 20.274 5.826 -11.970 1.00 0.00 C ATOM 375 C PHE A 24 21.125 5.084 -13.001 1.00 0.00 C ATOM 376 O PHE A 24 20.790 3.969 -13.407 1.00 0.00 O ATOM 377 CB PHE A 24 19.235 6.704 -12.677 1.00 0.00 C ATOM 378 CG PHE A 24 18.311 5.943 -13.588 1.00 0.00 C ATOM 379 CD1 PHE A 24 17.231 5.246 -13.072 1.00 0.00 C ATOM 380 CD2 PHE A 24 18.528 5.920 -14.957 1.00 0.00 C ATOM 381 CE1 PHE A 24 16.382 4.539 -13.903 1.00 0.00 C ATOM 382 CE2 PHE A 24 17.683 5.215 -15.794 1.00 0.00 C ATOM 383 CZ PHE A 24 16.611 4.523 -15.266 1.00 0.00 C ATOM 0 H PHE A 24 21.052 7.646 -11.298 1.00 0.00 H new ATOM 0 HA PHE A 24 19.766 5.080 -11.359 1.00 0.00 H new ATOM 0 HB2 PHE A 24 18.641 7.224 -11.925 1.00 0.00 H new ATOM 0 HB3 PHE A 24 19.753 7.467 -13.257 1.00 0.00 H new ATOM 0 HD1 PHE A 24 17.050 5.255 -12.007 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.366 6.459 -15.374 1.00 0.00 H new ATOM 0 HE1 PHE A 24 15.542 4.001 -13.488 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.861 5.206 -16.859 1.00 0.00 H new ATOM 0 HZ PHE A 24 15.952 3.969 -15.918 1.00 0.00 H new ATOM 393 N TYR A 25 22.228 5.690 -13.414 1.00 0.00 N ATOM 394 CA TYR A 25 23.037 5.129 -14.483 1.00 0.00 C ATOM 395 C TYR A 25 24.011 4.079 -13.956 1.00 0.00 C ATOM 396 O TYR A 25 24.507 3.249 -14.718 1.00 0.00 O ATOM 397 CB TYR A 25 23.770 6.238 -15.238 1.00 0.00 C ATOM 398 CG TYR A 25 22.822 7.164 -15.969 1.00 0.00 C ATOM 399 CD1 TYR A 25 22.278 6.797 -17.193 1.00 0.00 C ATOM 400 CD2 TYR A 25 22.455 8.394 -15.432 1.00 0.00 C ATOM 401 CE1 TYR A 25 21.397 7.627 -17.862 1.00 0.00 C ATOM 402 CE2 TYR A 25 21.577 9.229 -16.096 1.00 0.00 C ATOM 403 CZ TYR A 25 21.050 8.840 -17.309 1.00 0.00 C ATOM 404 OH TYR A 25 20.174 9.670 -17.974 1.00 0.00 O ATOM 0 H TYR A 25 22.581 6.565 -13.027 1.00 0.00 H new ATOM 0 HA TYR A 25 22.369 4.625 -15.182 1.00 0.00 H new ATOM 0 HB2 TYR A 25 24.369 6.817 -14.535 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.461 5.791 -15.953 1.00 0.00 H new ATOM 0 HD1 TYR A 25 22.548 5.847 -17.630 1.00 0.00 H new ATOM 0 HD2 TYR A 25 22.863 8.701 -14.480 1.00 0.00 H new ATOM 0 HE1 TYR A 25 20.983 7.326 -18.813 1.00 0.00 H new ATOM 0 HE2 TYR A 25 21.305 10.182 -15.667 1.00 0.00 H new ATOM 0 HH TYR A 25 20.632 10.501 -18.218 1.00 0.00 H new ATOM 414 N GLY A 26 24.275 4.102 -12.656 1.00 0.00 N ATOM 415 CA GLY A 26 25.042 3.040 -12.051 1.00 0.00 C ATOM 416 C GLY A 26 26.527 3.325 -12.000 1.00 0.00 C ATOM 417 O GLY A 26 27.331 2.496 -12.424 1.00 0.00 O ATOM 0 H GLY A 26 23.972 4.835 -12.015 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.677 2.870 -11.038 1.00 0.00 H new ATOM 0 HA3 GLY A 26 24.875 2.118 -12.609 1.00 0.00 H new ATOM 421 N ASP A 27 26.900 4.495 -11.503 1.00 0.00 N ATOM 422 CA ASP A 27 28.303 4.768 -11.220 1.00 0.00 C ATOM 423 C ASP A 27 28.561 4.577 -9.728 1.00 0.00 C ATOM 424 O ASP A 27 28.773 3.454 -9.270 1.00 0.00 O ATOM 425 CB ASP A 27 28.703 6.179 -11.666 1.00 0.00 C ATOM 426 CG ASP A 27 30.183 6.450 -11.472 1.00 0.00 C ATOM 427 OD1 ASP A 27 30.994 5.938 -12.273 1.00 0.00 O ATOM 428 OD2 ASP A 27 30.544 7.177 -10.523 1.00 0.00 O ATOM 0 H ASP A 27 26.262 5.261 -11.289 1.00 0.00 H new ATOM 0 HA ASP A 27 28.917 4.068 -11.787 1.00 0.00 H new ATOM 0 HB2 ASP A 27 28.447 6.311 -12.717 1.00 0.00 H new ATOM 0 HB3 ASP A 27 28.125 6.912 -11.103 1.00 0.00 H new ATOM 433 N GLU A 28 28.497 5.669 -8.978 1.00 0.00 N ATOM 434 CA GLU A 28 28.578 5.632 -7.522 1.00 0.00 C ATOM 435 C GLU A 28 28.459 7.047 -6.985 1.00 0.00 C ATOM 436 O GLU A 28 29.229 7.927 -7.364 1.00 0.00 O ATOM 437 CB GLU A 28 29.891 5.011 -7.037 1.00 0.00 C ATOM 438 CG GLU A 28 29.895 4.709 -5.547 1.00 0.00 C ATOM 439 CD GLU A 28 31.215 4.144 -5.062 1.00 0.00 C ATOM 440 OE1 GLU A 28 31.427 2.922 -5.193 1.00 0.00 O ATOM 441 OE2 GLU A 28 32.045 4.920 -4.542 1.00 0.00 O ATOM 0 H GLU A 28 28.387 6.608 -9.362 1.00 0.00 H new ATOM 0 HA GLU A 28 27.763 5.010 -7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 28 30.075 4.089 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 28 30.713 5.689 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.673 5.623 -4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.098 4.000 -5.323 1.00 0.00 H new ATOM 448 N VAL A 29 27.497 7.269 -6.111 1.00 0.00 N ATOM 449 CA VAL A 29 27.260 8.599 -5.590 1.00 0.00 C ATOM 450 C VAL A 29 27.730 8.705 -4.150 1.00 0.00 C ATOM 451 O VAL A 29 27.111 8.150 -3.242 1.00 0.00 O ATOM 452 CB VAL A 29 25.773 8.991 -5.662 1.00 0.00 C ATOM 453 CG1 VAL A 29 25.577 10.420 -5.188 1.00 0.00 C ATOM 454 CG2 VAL A 29 25.243 8.818 -7.074 1.00 0.00 C ATOM 0 H VAL A 29 26.871 6.550 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 29 27.830 9.286 -6.216 1.00 0.00 H new ATOM 0 HB VAL A 29 25.210 8.330 -5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 29 24.520 10.681 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 29 25.918 10.511 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 29 26.152 11.095 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 29 24.191 9.100 -7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 29 25.809 9.453 -7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 29 25.348 7.776 -7.377 1.00 0.00 H new ATOM 464 N THR A 30 28.834 9.396 -3.949 1.00 0.00 N ATOM 465 CA THR A 30 29.312 9.657 -2.610 1.00 0.00 C ATOM 466 C THR A 30 28.770 11.003 -2.148 1.00 0.00 C ATOM 467 O THR A 30 28.390 11.833 -2.972 1.00 0.00 O ATOM 468 CB THR A 30 30.855 9.650 -2.541 1.00 0.00 C ATOM 469 OG1 THR A 30 31.404 10.691 -3.362 1.00 0.00 O ATOM 470 CG2 THR A 30 31.404 8.303 -2.985 1.00 0.00 C ATOM 0 H THR A 30 29.413 9.785 -4.693 1.00 0.00 H new ATOM 0 HA THR A 30 28.957 8.863 -1.953 1.00 0.00 H new ATOM 0 HB THR A 30 31.146 9.827 -1.506 1.00 0.00 H new ATOM 0 HG1 THR A 30 31.155 10.536 -4.297 1.00 0.00 H new ATOM 0 HG21 THR A 30 32.492 8.318 -2.930 1.00 0.00 H new ATOM 0 HG22 THR A 30 31.018 7.520 -2.333 1.00 0.00 H new ATOM 0 HG23 THR A 30 31.096 8.105 -4.012 1.00 0.00 H new ATOM 478 N PRO A 31 28.709 11.241 -0.831 1.00 0.00 N ATOM 479 CA PRO A 31 28.210 12.508 -0.275 1.00 0.00 C ATOM 480 C PRO A 31 29.064 13.719 -0.671 1.00 0.00 C ATOM 481 O PRO A 31 28.789 14.842 -0.257 1.00 0.00 O ATOM 482 CB PRO A 31 28.271 12.288 1.240 1.00 0.00 C ATOM 483 CG PRO A 31 28.352 10.812 1.421 1.00 0.00 C ATOM 484 CD PRO A 31 29.084 10.289 0.222 1.00 0.00 C ATOM 0 HA PRO A 31 27.213 12.738 -0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 31 29.138 12.786 1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 31 27.389 12.697 1.732 1.00 0.00 H new ATOM 0 HG2 PRO A 31 28.880 10.560 2.341 1.00 0.00 H new ATOM 0 HG3 PRO A 31 27.357 10.372 1.493 1.00 0.00 H new ATOM 0 HD2 PRO A 31 30.162 10.269 0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 31 28.780 9.272 -0.025 1.00 0.00 H new ATOM 492 N VAL A 32 30.101 13.479 -1.466 1.00 0.00 N ATOM 493 CA VAL A 32 30.961 14.545 -1.958 1.00 0.00 C ATOM 494 C VAL A 32 30.552 14.930 -3.383 1.00 0.00 C ATOM 495 O VAL A 32 31.081 15.876 -3.968 1.00 0.00 O ATOM 496 CB VAL A 32 32.448 14.113 -1.949 1.00 0.00 C ATOM 497 CG1 VAL A 32 33.370 15.311 -2.127 1.00 0.00 C ATOM 498 CG2 VAL A 32 32.789 13.365 -0.668 1.00 0.00 C ATOM 0 H VAL A 32 30.366 12.547 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 32 30.845 15.403 -1.296 1.00 0.00 H new ATOM 0 HB VAL A 32 32.601 13.439 -2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 32 34.407 14.976 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 32 33.155 15.797 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 32 33.209 16.018 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 32 33.839 13.072 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 32 32.607 14.012 0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 32 32.165 12.474 -0.590 1.00 0.00 H new ATOM 508 N ASP A 33 29.593 14.196 -3.932 1.00 0.00 N ATOM 509 CA ASP A 33 29.133 14.417 -5.299 1.00 0.00 C ATOM 510 C ASP A 33 27.741 15.028 -5.279 1.00 0.00 C ATOM 511 O ASP A 33 26.814 14.435 -4.730 1.00 0.00 O ATOM 512 CB ASP A 33 29.093 13.103 -6.095 1.00 0.00 C ATOM 513 CG ASP A 33 30.423 12.376 -6.131 1.00 0.00 C ATOM 514 OD1 ASP A 33 31.423 12.966 -6.596 1.00 0.00 O ATOM 515 OD2 ASP A 33 30.478 11.207 -5.685 1.00 0.00 O ATOM 0 H ASP A 33 29.115 13.436 -3.448 1.00 0.00 H new ATOM 0 HA ASP A 33 29.836 15.095 -5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 33 28.341 12.446 -5.659 1.00 0.00 H new ATOM 0 HB3 ASP A 33 28.777 13.316 -7.116 1.00 0.00 H new ATOM 520 N ASP A 34 27.594 16.214 -5.857 1.00 0.00 N ATOM 521 CA ASP A 34 26.295 16.881 -5.900 1.00 0.00 C ATOM 522 C ASP A 34 25.310 16.087 -6.745 1.00 0.00 C ATOM 523 O ASP A 34 25.587 15.759 -7.905 1.00 0.00 O ATOM 524 CB ASP A 34 26.421 18.306 -6.447 1.00 0.00 C ATOM 525 CG ASP A 34 27.037 19.268 -5.452 1.00 0.00 C ATOM 526 OD1 ASP A 34 26.327 19.700 -4.520 1.00 0.00 O ATOM 527 OD2 ASP A 34 28.230 19.614 -5.607 1.00 0.00 O ATOM 0 H ASP A 34 28.352 16.733 -6.300 1.00 0.00 H new ATOM 0 HA ASP A 34 25.920 16.937 -4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 34 27.028 18.290 -7.352 1.00 0.00 H new ATOM 0 HB3 ASP A 34 25.433 18.669 -6.732 1.00 0.00 H new ATOM 532 N TYR A 35 24.161 15.777 -6.167 1.00 0.00 N ATOM 533 CA TYR A 35 23.161 14.987 -6.859 1.00 0.00 C ATOM 534 C TYR A 35 21.759 15.416 -6.459 1.00 0.00 C ATOM 535 O TYR A 35 21.573 16.160 -5.499 1.00 0.00 O ATOM 536 CB TYR A 35 23.359 13.494 -6.574 1.00 0.00 C ATOM 537 CG TYR A 35 23.128 13.092 -5.133 1.00 0.00 C ATOM 538 CD1 TYR A 35 24.114 13.275 -4.170 1.00 0.00 C ATOM 539 CD2 TYR A 35 21.932 12.508 -4.740 1.00 0.00 C ATOM 540 CE1 TYR A 35 23.914 12.892 -2.859 1.00 0.00 C ATOM 541 CE2 TYR A 35 21.724 12.117 -3.432 1.00 0.00 C ATOM 542 CZ TYR A 35 22.721 12.311 -2.495 1.00 0.00 C ATOM 543 OH TYR A 35 22.528 11.911 -1.191 1.00 0.00 O ATOM 0 H TYR A 35 23.900 16.060 -5.223 1.00 0.00 H new ATOM 0 HA TYR A 35 23.281 15.157 -7.929 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.682 12.923 -7.210 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.374 13.215 -6.857 1.00 0.00 H new ATOM 0 HD1 TYR A 35 25.054 13.725 -4.453 1.00 0.00 H new ATOM 0 HD2 TYR A 35 21.150 12.357 -5.470 1.00 0.00 H new ATOM 0 HE1 TYR A 35 24.689 13.047 -2.123 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.788 11.662 -3.143 1.00 0.00 H new ATOM 0 HH TYR A 35 22.525 10.932 -1.146 1.00 0.00 H new ATOM 553 N VAL A 36 20.779 14.940 -7.202 1.00 0.00 N ATOM 554 CA VAL A 36 19.393 15.291 -6.959 1.00 0.00 C ATOM 555 C VAL A 36 18.536 14.032 -6.957 1.00 0.00 C ATOM 556 O VAL A 36 18.794 13.094 -7.714 1.00 0.00 O ATOM 557 CB VAL A 36 18.886 16.290 -8.027 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.390 16.537 -7.923 1.00 0.00 C ATOM 559 CG2 VAL A 36 19.640 17.602 -7.913 1.00 0.00 C ATOM 0 H VAL A 36 20.919 14.303 -7.986 1.00 0.00 H new ATOM 0 HA VAL A 36 19.319 15.773 -5.984 1.00 0.00 H new ATOM 0 HB VAL A 36 19.073 15.843 -9.003 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.084 17.245 -8.693 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.856 15.597 -8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.156 16.947 -6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.276 18.298 -8.669 1.00 0.00 H new ATOM 0 HG22 VAL A 36 19.482 18.027 -6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 36 20.704 17.424 -8.066 1.00 0.00 H new ATOM 569 N ILE A 37 17.547 14.000 -6.079 1.00 0.00 N ATOM 570 CA ILE A 37 16.654 12.861 -5.979 1.00 0.00 C ATOM 571 C ILE A 37 15.288 13.193 -6.570 1.00 0.00 C ATOM 572 O ILE A 37 14.622 14.145 -6.138 1.00 0.00 O ATOM 573 CB ILE A 37 16.498 12.394 -4.514 1.00 0.00 C ATOM 574 CG1 ILE A 37 17.823 11.812 -4.007 1.00 0.00 C ATOM 575 CG2 ILE A 37 15.375 11.373 -4.388 1.00 0.00 C ATOM 576 CD1 ILE A 37 17.724 11.175 -2.638 1.00 0.00 C ATOM 0 H ILE A 37 17.343 14.754 -5.423 1.00 0.00 H new ATOM 0 HA ILE A 37 17.097 12.046 -6.551 1.00 0.00 H new ATOM 0 HB ILE A 37 16.236 13.255 -3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 37 18.179 11.068 -4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 37 18.570 12.605 -3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.284 11.059 -3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.437 11.822 -4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.599 10.507 -5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 37 18.700 10.786 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 37 17.399 11.921 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 37 17.002 10.359 -2.668 1.00 0.00 H new ATOM 588 N ASP A 38 14.879 12.408 -7.563 1.00 0.00 N ATOM 589 CA ASP A 38 13.579 12.591 -8.198 1.00 0.00 C ATOM 590 C ASP A 38 12.564 11.680 -7.526 1.00 0.00 C ATOM 591 O ASP A 38 12.385 10.528 -7.918 1.00 0.00 O ATOM 592 CB ASP A 38 13.643 12.289 -9.703 1.00 0.00 C ATOM 593 CG ASP A 38 12.435 12.819 -10.467 1.00 0.00 C ATOM 594 OD1 ASP A 38 11.343 12.213 -10.379 1.00 0.00 O ATOM 595 OD2 ASP A 38 12.577 13.841 -11.167 1.00 0.00 O ATOM 0 H ASP A 38 15.430 11.639 -7.945 1.00 0.00 H new ATOM 0 HA ASP A 38 13.279 13.632 -8.082 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.550 12.728 -10.118 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.715 11.211 -9.849 1.00 0.00 H new ATOM 600 N GLY A 39 11.966 12.174 -6.449 1.00 0.00 N ATOM 601 CA GLY A 39 10.970 11.404 -5.725 1.00 0.00 C ATOM 602 C GLY A 39 11.578 10.350 -4.820 1.00 0.00 C ATOM 603 O GLY A 39 11.156 10.188 -3.676 1.00 0.00 O ATOM 0 H GLY A 39 12.154 13.099 -6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.360 12.081 -5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.303 10.921 -6.439 1.00 0.00 H new ATOM 607 N GLY A 40 12.586 9.660 -5.325 1.00 0.00 N ATOM 608 CA GLY A 40 13.189 8.565 -4.601 1.00 0.00 C ATOM 609 C GLY A 40 14.405 8.031 -5.326 1.00 0.00 C ATOM 610 O GLY A 40 15.346 7.548 -4.700 1.00 0.00 O ATOM 0 H GLY A 40 13.002 9.843 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.475 8.899 -3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.459 7.766 -4.472 1.00 0.00 H new ATOM 614 N GLU A 41 14.388 8.128 -6.651 1.00 0.00 N ATOM 615 CA GLU A 41 15.515 7.686 -7.455 1.00 0.00 C ATOM 616 C GLU A 41 16.602 8.759 -7.487 1.00 0.00 C ATOM 617 O GLU A 41 16.317 9.957 -7.466 1.00 0.00 O ATOM 618 CB GLU A 41 15.057 7.320 -8.870 1.00 0.00 C ATOM 619 CG GLU A 41 13.986 6.238 -8.880 1.00 0.00 C ATOM 620 CD GLU A 41 13.771 5.618 -10.245 1.00 0.00 C ATOM 621 OE1 GLU A 41 14.517 4.677 -10.592 1.00 0.00 O ATOM 622 OE2 GLU A 41 12.844 6.048 -10.966 1.00 0.00 O ATOM 0 H GLU A 41 13.608 8.508 -7.187 1.00 0.00 H new ATOM 0 HA GLU A 41 15.938 6.791 -6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.671 8.212 -9.365 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.916 6.981 -9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.263 5.456 -8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.046 6.664 -8.530 1.00 0.00 H new ATOM 629 N ILE A 42 17.846 8.307 -7.525 1.00 0.00 N ATOM 630 CA ILE A 42 19.006 9.182 -7.404 1.00 0.00 C ATOM 631 C ILE A 42 19.646 9.431 -8.763 1.00 0.00 C ATOM 632 O ILE A 42 19.783 8.510 -9.563 1.00 0.00 O ATOM 633 CB ILE A 42 20.055 8.541 -6.470 1.00 0.00 C ATOM 634 CG1 ILE A 42 19.449 8.292 -5.088 1.00 0.00 C ATOM 635 CG2 ILE A 42 21.295 9.420 -6.363 1.00 0.00 C ATOM 636 CD1 ILE A 42 20.252 7.344 -4.227 1.00 0.00 C ATOM 0 H ILE A 42 18.082 7.321 -7.641 1.00 0.00 H new ATOM 0 HA ILE A 42 18.667 10.132 -6.991 1.00 0.00 H new ATOM 0 HB ILE A 42 20.357 7.584 -6.896 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.352 9.245 -4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.443 7.892 -5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 42 22.020 8.948 -5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.737 9.548 -7.351 1.00 0.00 H new ATOM 0 HG23 ILE A 42 21.017 10.394 -5.961 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.757 7.219 -3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 42 20.328 6.377 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 42 21.251 7.751 -4.071 1.00 0.00 H new ATOM 648 N ILE A 43 20.019 10.675 -9.033 1.00 0.00 N ATOM 649 CA ILE A 43 20.736 11.003 -10.258 1.00 0.00 C ATOM 650 C ILE A 43 21.853 11.999 -9.963 1.00 0.00 C ATOM 651 O ILE A 43 21.623 13.014 -9.302 1.00 0.00 O ATOM 652 CB ILE A 43 19.820 11.618 -11.349 1.00 0.00 C ATOM 653 CG1 ILE A 43 18.480 10.882 -11.457 1.00 0.00 C ATOM 654 CG2 ILE A 43 20.526 11.598 -12.697 1.00 0.00 C ATOM 655 CD1 ILE A 43 17.422 11.387 -10.496 1.00 0.00 C ATOM 0 H ILE A 43 19.838 11.471 -8.422 1.00 0.00 H new ATOM 0 HA ILE A 43 21.136 10.062 -10.636 1.00 0.00 H new ATOM 0 HB ILE A 43 19.612 12.647 -11.056 1.00 0.00 H new ATOM 0 HG12 ILE A 43 18.106 10.977 -12.476 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.644 9.820 -11.275 1.00 0.00 H new ATOM 0 HG21 ILE A 43 19.874 12.032 -13.455 1.00 0.00 H new ATOM 0 HG22 ILE A 43 21.446 12.178 -12.634 1.00 0.00 H new ATOM 0 HG23 ILE A 43 20.764 10.569 -12.968 1.00 0.00 H new ATOM 0 HD11 ILE A 43 16.503 10.817 -10.634 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.774 11.267 -9.471 1.00 0.00 H new ATOM 0 HD13 ILE A 43 17.227 12.441 -10.691 1.00 0.00 H new ATOM 667 N LEU A 44 23.064 11.692 -10.428 1.00 0.00 N ATOM 668 CA LEU A 44 24.167 12.648 -10.365 1.00 0.00 C ATOM 669 C LEU A 44 23.809 13.915 -11.124 1.00 0.00 C ATOM 670 O LEU A 44 23.055 13.870 -12.094 1.00 0.00 O ATOM 671 CB LEU A 44 25.445 12.056 -10.965 1.00 0.00 C ATOM 672 CG LEU A 44 26.122 10.989 -10.120 1.00 0.00 C ATOM 673 CD1 LEU A 44 27.269 10.349 -10.888 1.00 0.00 C ATOM 674 CD2 LEU A 44 26.621 11.586 -8.812 1.00 0.00 C ATOM 0 H LEU A 44 23.304 10.795 -10.850 1.00 0.00 H new ATOM 0 HA LEU A 44 24.342 12.881 -9.315 1.00 0.00 H new ATOM 0 HB2 LEU A 44 25.206 11.628 -11.939 1.00 0.00 H new ATOM 0 HB3 LEU A 44 26.155 12.865 -11.138 1.00 0.00 H new ATOM 0 HG LEU A 44 25.390 10.215 -9.889 1.00 0.00 H new ATOM 0 HD11 LEU A 44 27.742 9.588 -10.268 1.00 0.00 H new ATOM 0 HD12 LEU A 44 26.885 9.888 -11.798 1.00 0.00 H new ATOM 0 HD13 LEU A 44 28.003 11.112 -11.149 1.00 0.00 H new ATOM 0 HD21 LEU A 44 27.103 10.809 -8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 44 27.338 12.379 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 44 25.779 11.998 -8.256 1.00 0.00 H new ATOM 686 N ARG A 45 24.363 15.038 -10.696 1.00 0.00 N ATOM 687 CA ARG A 45 24.125 16.305 -11.374 1.00 0.00 C ATOM 688 C ARG A 45 24.785 16.333 -12.750 1.00 0.00 C ATOM 689 O ARG A 45 24.576 17.267 -13.520 1.00 0.00 O ATOM 690 CB ARG A 45 24.620 17.475 -10.516 1.00 0.00 C ATOM 691 CG ARG A 45 23.506 18.176 -9.752 1.00 0.00 C ATOM 692 CD ARG A 45 23.025 19.429 -10.477 1.00 0.00 C ATOM 693 NE ARG A 45 22.894 19.231 -11.924 1.00 0.00 N ATOM 694 CZ ARG A 45 23.138 20.181 -12.831 1.00 0.00 C ATOM 695 NH1 ARG A 45 23.476 21.407 -12.449 1.00 0.00 N ATOM 696 NH2 ARG A 45 23.040 19.910 -14.126 1.00 0.00 N ATOM 0 H ARG A 45 24.979 15.100 -9.885 1.00 0.00 H new ATOM 0 HA ARG A 45 23.050 16.408 -11.519 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.362 17.108 -9.807 1.00 0.00 H new ATOM 0 HB3 ARG A 45 25.123 18.199 -11.157 1.00 0.00 H new ATOM 0 HG2 ARG A 45 22.670 17.490 -9.618 1.00 0.00 H new ATOM 0 HG3 ARG A 45 23.861 18.445 -8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 45 22.062 19.733 -10.068 1.00 0.00 H new ATOM 0 HD3 ARG A 45 23.724 20.244 -10.288 1.00 0.00 H new ATOM 0 HE ARG A 45 22.599 18.313 -12.258 1.00 0.00 H new ATOM 0 HH11 ARG A 45 23.551 21.629 -11.456 1.00 0.00 H new ATOM 0 HH12 ARG A 45 23.661 22.126 -13.148 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.777 18.973 -14.433 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.227 20.638 -14.815 1.00 0.00 H new ATOM 710 N GLU A 46 25.554 15.293 -13.065 1.00 0.00 N ATOM 711 CA GLU A 46 26.240 15.219 -14.349 1.00 0.00 C ATOM 712 C GLU A 46 25.221 15.106 -15.487 1.00 0.00 C ATOM 713 O GLU A 46 25.186 15.937 -16.394 1.00 0.00 O ATOM 714 CB GLU A 46 27.191 14.016 -14.355 1.00 0.00 C ATOM 715 CG GLU A 46 28.506 14.262 -15.084 1.00 0.00 C ATOM 716 CD GLU A 46 28.337 14.445 -16.578 1.00 0.00 C ATOM 717 OE1 GLU A 46 28.022 15.568 -17.014 1.00 0.00 O ATOM 718 OE2 GLU A 46 28.522 13.461 -17.325 1.00 0.00 O ATOM 0 H GLU A 46 25.716 14.495 -12.451 1.00 0.00 H new ATOM 0 HA GLU A 46 26.821 16.129 -14.500 1.00 0.00 H new ATOM 0 HB2 GLU A 46 27.407 13.733 -13.325 1.00 0.00 H new ATOM 0 HB3 GLU A 46 26.685 13.169 -14.818 1.00 0.00 H new ATOM 0 HG2 GLU A 46 28.984 15.149 -14.668 1.00 0.00 H new ATOM 0 HG3 GLU A 46 29.177 13.423 -14.901 1.00 0.00 H new ATOM 725 N ASN A 47 24.360 14.100 -15.404 1.00 0.00 N ATOM 726 CA ASN A 47 23.386 13.830 -16.460 1.00 0.00 C ATOM 727 C ASN A 47 21.978 13.936 -15.881 1.00 0.00 C ATOM 728 O ASN A 47 21.016 13.366 -16.392 1.00 0.00 O ATOM 729 CB ASN A 47 23.644 12.437 -17.059 1.00 0.00 C ATOM 730 CG ASN A 47 22.952 12.222 -18.396 1.00 0.00 C ATOM 731 OD1 ASN A 47 21.838 11.710 -18.458 1.00 0.00 O ATOM 732 ND2 ASN A 47 23.615 12.603 -19.477 1.00 0.00 N ATOM 0 H ASN A 47 24.314 13.455 -14.615 1.00 0.00 H new ATOM 0 HA ASN A 47 23.486 14.563 -17.261 1.00 0.00 H new ATOM 0 HB2 ASN A 47 24.717 12.296 -17.186 1.00 0.00 H new ATOM 0 HB3 ASN A 47 23.304 11.677 -16.355 1.00 0.00 H new ATOM 0 HD21 ASN A 47 23.202 12.474 -20.401 1.00 0.00 H new ATOM 0 HD22 ASN A 47 24.539 13.025 -19.386 1.00 0.00 H new ATOM 739 N LEU A 48 21.881 14.715 -14.812 1.00 0.00 N ATOM 740 CA LEU A 48 20.638 14.894 -14.071 1.00 0.00 C ATOM 741 C LEU A 48 19.503 15.381 -14.962 1.00 0.00 C ATOM 742 O LEU A 48 18.415 14.809 -14.968 1.00 0.00 O ATOM 743 CB LEU A 48 20.857 15.907 -12.948 1.00 0.00 C ATOM 744 CG LEU A 48 19.610 16.266 -12.145 1.00 0.00 C ATOM 745 CD1 LEU A 48 19.181 15.102 -11.266 1.00 0.00 C ATOM 746 CD2 LEU A 48 19.858 17.514 -11.317 1.00 0.00 C ATOM 0 H LEU A 48 22.666 15.244 -14.432 1.00 0.00 H new ATOM 0 HA LEU A 48 20.355 13.922 -13.666 1.00 0.00 H new ATOM 0 HB2 LEU A 48 21.608 15.511 -12.265 1.00 0.00 H new ATOM 0 HB3 LEU A 48 21.268 16.820 -13.379 1.00 0.00 H new ATOM 0 HG LEU A 48 18.797 16.474 -12.840 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.290 15.380 -10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.960 14.237 -11.891 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.985 14.853 -10.574 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.960 17.758 -10.749 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.685 17.336 -10.629 1.00 0.00 H new ATOM 0 HD23 LEU A 48 20.107 18.345 -11.977 1.00 0.00 H new ATOM 758 N GLU A 49 19.776 16.431 -15.721 1.00 0.00 N ATOM 759 CA GLU A 49 18.744 17.117 -16.493 1.00 0.00 C ATOM 760 C GLU A 49 18.124 16.198 -17.542 1.00 0.00 C ATOM 761 O GLU A 49 16.953 16.348 -17.896 1.00 0.00 O ATOM 762 CB GLU A 49 19.333 18.370 -17.136 1.00 0.00 C ATOM 763 CG GLU A 49 19.830 19.374 -16.107 1.00 0.00 C ATOM 764 CD GLU A 49 20.655 20.483 -16.714 1.00 0.00 C ATOM 765 OE1 GLU A 49 21.836 20.237 -17.036 1.00 0.00 O ATOM 766 OE2 GLU A 49 20.136 21.612 -16.855 1.00 0.00 O ATOM 0 H GLU A 49 20.709 16.831 -15.821 1.00 0.00 H new ATOM 0 HA GLU A 49 17.942 17.410 -15.816 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.158 18.086 -17.789 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.577 18.842 -17.764 1.00 0.00 H new ATOM 0 HG2 GLU A 49 18.975 19.807 -15.588 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.427 18.853 -15.358 1.00 0.00 H new ATOM 773 N ARG A 50 18.901 15.234 -18.012 1.00 0.00 N ATOM 774 CA ARG A 50 18.403 14.250 -18.960 1.00 0.00 C ATOM 775 C ARG A 50 17.307 13.402 -18.316 1.00 0.00 C ATOM 776 O ARG A 50 16.222 13.243 -18.872 1.00 0.00 O ATOM 777 CB ARG A 50 19.546 13.351 -19.441 1.00 0.00 C ATOM 778 CG ARG A 50 19.111 12.239 -20.387 1.00 0.00 C ATOM 779 CD ARG A 50 19.137 12.675 -21.846 1.00 0.00 C ATOM 780 NE ARG A 50 18.322 13.861 -22.099 1.00 0.00 N ATOM 781 CZ ARG A 50 17.152 13.838 -22.735 1.00 0.00 C ATOM 782 NH1 ARG A 50 16.594 12.682 -23.079 1.00 0.00 N ATOM 783 NH2 ARG A 50 16.531 14.977 -23.013 1.00 0.00 N ATOM 0 H ARG A 50 19.880 15.112 -17.752 1.00 0.00 H new ATOM 0 HA ARG A 50 17.983 14.776 -19.818 1.00 0.00 H new ATOM 0 HB2 ARG A 50 20.292 13.968 -19.942 1.00 0.00 H new ATOM 0 HB3 ARG A 50 20.032 12.905 -18.573 1.00 0.00 H new ATOM 0 HG2 ARG A 50 19.766 11.378 -20.256 1.00 0.00 H new ATOM 0 HG3 ARG A 50 18.103 11.916 -20.125 1.00 0.00 H new ATOM 0 HD2 ARG A 50 20.166 12.878 -22.141 1.00 0.00 H new ATOM 0 HD3 ARG A 50 18.782 11.856 -22.471 1.00 0.00 H new ATOM 0 HE ARG A 50 18.670 14.761 -21.769 1.00 0.00 H new ATOM 0 HH11 ARG A 50 17.062 11.804 -22.856 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.698 12.673 -23.566 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.950 15.866 -22.740 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.635 14.964 -23.500 1.00 0.00 H new ATOM 797 N TYR A 51 17.583 12.887 -17.123 1.00 0.00 N ATOM 798 CA TYR A 51 16.636 12.017 -16.444 1.00 0.00 C ATOM 799 C TYR A 51 15.482 12.823 -15.852 1.00 0.00 C ATOM 800 O TYR A 51 14.388 12.299 -15.658 1.00 0.00 O ATOM 801 CB TYR A 51 17.325 11.191 -15.358 1.00 0.00 C ATOM 802 CG TYR A 51 16.456 10.070 -14.823 1.00 0.00 C ATOM 803 CD1 TYR A 51 16.040 9.034 -15.653 1.00 0.00 C ATOM 804 CD2 TYR A 51 16.045 10.048 -13.496 1.00 0.00 C ATOM 805 CE1 TYR A 51 15.243 8.012 -15.175 1.00 0.00 C ATOM 806 CE2 TYR A 51 15.249 9.028 -13.011 1.00 0.00 C ATOM 807 CZ TYR A 51 14.853 8.012 -13.854 1.00 0.00 C ATOM 808 OH TYR A 51 14.063 6.992 -13.378 1.00 0.00 O ATOM 0 H TYR A 51 18.449 13.056 -16.611 1.00 0.00 H new ATOM 0 HA TYR A 51 16.229 11.329 -17.185 1.00 0.00 H new ATOM 0 HB2 TYR A 51 18.246 10.769 -15.760 1.00 0.00 H new ATOM 0 HB3 TYR A 51 17.608 11.847 -14.535 1.00 0.00 H new ATOM 0 HD1 TYR A 51 16.345 9.029 -16.689 1.00 0.00 H new ATOM 0 HD2 TYR A 51 16.353 10.842 -12.832 1.00 0.00 H new ATOM 0 HE1 TYR A 51 14.927 7.217 -15.834 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.939 9.027 -11.977 1.00 0.00 H new ATOM 0 HH TYR A 51 13.890 7.130 -12.423 1.00 0.00 H new ATOM 818 N LEU A 52 15.719 14.100 -15.578 1.00 0.00 N ATOM 819 CA LEU A 52 14.648 14.983 -15.123 1.00 0.00 C ATOM 820 C LEU A 52 13.667 15.249 -16.255 1.00 0.00 C ATOM 821 O LEU A 52 12.497 15.526 -16.027 1.00 0.00 O ATOM 822 CB LEU A 52 15.205 16.308 -14.599 1.00 0.00 C ATOM 823 CG LEU A 52 15.962 16.221 -13.274 1.00 0.00 C ATOM 824 CD1 LEU A 52 16.408 17.605 -12.832 1.00 0.00 C ATOM 825 CD2 LEU A 52 15.094 15.572 -12.207 1.00 0.00 C ATOM 0 H LEU A 52 16.633 14.546 -15.661 1.00 0.00 H new ATOM 0 HA LEU A 52 14.129 14.483 -14.305 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.872 16.726 -15.353 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.379 17.009 -14.481 1.00 0.00 H new ATOM 0 HG LEU A 52 16.847 15.601 -13.418 1.00 0.00 H new ATOM 0 HD11 LEU A 52 16.946 17.529 -11.887 1.00 0.00 H new ATOM 0 HD12 LEU A 52 17.063 18.035 -13.589 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.535 18.244 -12.702 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.649 15.518 -11.270 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.192 16.166 -12.061 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.819 14.566 -12.524 1.00 0.00 H new ATOM 837 N ARG A 53 14.142 15.162 -17.481 1.00 0.00 N ATOM 838 CA ARG A 53 13.258 15.295 -18.627 1.00 0.00 C ATOM 839 C ARG A 53 12.649 13.940 -18.947 1.00 0.00 C ATOM 840 O ARG A 53 11.622 13.840 -19.615 1.00 0.00 O ATOM 841 CB ARG A 53 14.003 15.839 -19.846 1.00 0.00 C ATOM 842 CG ARG A 53 13.079 16.206 -20.997 1.00 0.00 C ATOM 843 CD ARG A 53 13.853 16.709 -22.200 1.00 0.00 C ATOM 844 NE ARG A 53 14.705 17.848 -21.864 1.00 0.00 N ATOM 845 CZ ARG A 53 15.088 18.774 -22.738 1.00 0.00 C ATOM 846 NH1 ARG A 53 14.653 18.737 -23.994 1.00 0.00 N ATOM 847 NH2 ARG A 53 15.892 19.752 -22.348 1.00 0.00 N ATOM 0 H ARG A 53 15.123 15.002 -17.711 1.00 0.00 H new ATOM 0 HA ARG A 53 12.470 16.006 -18.378 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.574 16.720 -19.552 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.721 15.093 -20.188 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.489 15.335 -21.282 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.377 16.973 -20.670 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.467 15.902 -22.600 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.155 16.997 -22.986 1.00 0.00 H new ATOM 0 HE ARG A 53 15.025 17.938 -20.900 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.021 17.995 -24.293 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.951 19.451 -24.658 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.214 19.792 -21.381 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.189 20.465 -23.015 1.00 0.00 H new ATOM 861 N GLU A 54 13.294 12.898 -18.454 1.00 0.00 N ATOM 862 CA GLU A 54 12.810 11.547 -18.637 1.00 0.00 C ATOM 863 C GLU A 54 11.682 11.254 -17.652 1.00 0.00 C ATOM 864 O GLU A 54 10.591 10.848 -18.047 1.00 0.00 O ATOM 865 CB GLU A 54 13.951 10.547 -18.435 1.00 0.00 C ATOM 866 CG GLU A 54 14.065 9.516 -19.542 1.00 0.00 C ATOM 867 CD GLU A 54 14.508 10.120 -20.859 1.00 0.00 C ATOM 868 OE1 GLU A 54 13.650 10.652 -21.593 1.00 0.00 O ATOM 869 OE2 GLU A 54 15.718 10.057 -21.165 1.00 0.00 O ATOM 0 H GLU A 54 14.161 12.966 -17.920 1.00 0.00 H new ATOM 0 HA GLU A 54 12.427 11.448 -19.653 1.00 0.00 H new ATOM 0 HB2 GLU A 54 14.891 11.093 -18.362 1.00 0.00 H new ATOM 0 HB3 GLU A 54 13.806 10.032 -17.485 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.775 8.745 -19.243 1.00 0.00 H new ATOM 0 HG3 GLU A 54 13.101 9.026 -19.678 1.00 0.00 H new ATOM 876 N GLN A 55 11.948 11.468 -16.366 1.00 0.00 N ATOM 877 CA GLN A 55 10.988 11.141 -15.337 1.00 0.00 C ATOM 878 C GLN A 55 10.282 12.388 -14.812 1.00 0.00 C ATOM 879 O GLN A 55 9.102 12.587 -15.109 1.00 0.00 O ATOM 880 CB GLN A 55 11.709 10.397 -14.206 1.00 0.00 C ATOM 881 CG GLN A 55 10.846 10.101 -12.992 1.00 0.00 C ATOM 882 CD GLN A 55 11.496 9.094 -12.063 1.00 0.00 C ATOM 883 OE1 GLN A 55 12.246 9.454 -11.164 1.00 0.00 O ATOM 884 NE2 GLN A 55 11.219 7.818 -12.281 1.00 0.00 N ATOM 0 H GLN A 55 12.821 11.866 -16.021 1.00 0.00 H new ATOM 0 HA GLN A 55 10.216 10.499 -15.761 1.00 0.00 H new ATOM 0 HB2 GLN A 55 12.097 9.457 -14.597 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.568 10.989 -13.889 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.657 11.026 -12.448 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.879 9.720 -13.319 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.590 7.555 -13.039 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.635 7.098 -11.691 1.00 0.00 H new ATOM 893 N LEU A 56 11.034 13.261 -14.117 1.00 0.00 N ATOM 894 CA LEU A 56 10.454 14.378 -13.342 1.00 0.00 C ATOM 895 C LEU A 56 9.099 13.962 -12.774 1.00 0.00 C ATOM 896 O LEU A 56 8.095 14.669 -12.907 1.00 0.00 O ATOM 897 CB LEU A 56 10.301 15.632 -14.212 1.00 0.00 C ATOM 898 CG LEU A 56 10.579 16.974 -13.517 1.00 0.00 C ATOM 899 CD1 LEU A 56 10.607 18.101 -14.538 1.00 0.00 C ATOM 900 CD2 LEU A 56 9.540 17.265 -12.444 1.00 0.00 C ATOM 0 H LEU A 56 12.052 13.215 -14.075 1.00 0.00 H new ATOM 0 HA LEU A 56 11.131 14.618 -12.522 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.973 15.542 -15.065 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.285 15.654 -14.607 1.00 0.00 H new ATOM 0 HG LEU A 56 11.554 16.906 -13.034 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.805 19.046 -14.032 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.392 17.910 -15.269 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.644 18.156 -15.046 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.764 18.221 -11.971 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.550 17.308 -12.898 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.561 16.475 -11.694 1.00 0.00 H new ATOM 912 N GLY A 57 9.072 12.787 -12.176 1.00 0.00 N ATOM 913 CA GLY A 57 7.813 12.206 -11.777 1.00 0.00 C ATOM 914 C GLY A 57 7.693 11.980 -10.293 1.00 0.00 C ATOM 915 O GLY A 57 6.582 11.799 -9.791 1.00 0.00 O ATOM 0 H GLY A 57 9.896 12.226 -11.960 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.003 12.858 -12.103 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.683 11.254 -12.292 1.00 0.00 H new ATOM 919 N PHE A 58 8.825 11.974 -9.590 1.00 0.00 N ATOM 920 CA PHE A 58 8.833 11.706 -8.154 1.00 0.00 C ATOM 921 C PHE A 58 8.111 10.392 -7.894 1.00 0.00 C ATOM 922 O PHE A 58 8.117 9.500 -8.744 1.00 0.00 O ATOM 923 CB PHE A 58 8.155 12.854 -7.391 1.00 0.00 C ATOM 924 CG PHE A 58 8.640 14.224 -7.789 1.00 0.00 C ATOM 925 CD1 PHE A 58 9.991 14.476 -7.976 1.00 0.00 C ATOM 926 CD2 PHE A 58 7.737 15.257 -7.988 1.00 0.00 C ATOM 927 CE1 PHE A 58 10.432 15.732 -8.349 1.00 0.00 C ATOM 928 CE2 PHE A 58 8.173 16.515 -8.360 1.00 0.00 C ATOM 929 CZ PHE A 58 9.520 16.754 -8.542 1.00 0.00 C ATOM 0 H PHE A 58 9.746 12.151 -9.991 1.00 0.00 H new ATOM 0 HA PHE A 58 9.862 11.631 -7.802 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.079 12.799 -7.554 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.323 12.716 -6.323 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.707 13.681 -7.828 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.681 15.077 -7.851 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.487 15.915 -8.490 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.459 17.312 -8.508 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.861 17.736 -8.834 1.00 0.00 H new ATOM 939 N GLU A 59 7.514 10.246 -6.729 1.00 0.00 N ATOM 940 CA GLU A 59 6.581 9.146 -6.539 1.00 0.00 C ATOM 941 C GLU A 59 5.192 9.665 -6.191 1.00 0.00 C ATOM 942 O GLU A 59 4.924 10.042 -5.050 1.00 0.00 O ATOM 943 CB GLU A 59 7.058 8.172 -5.463 1.00 0.00 C ATOM 944 CG GLU A 59 8.258 7.336 -5.874 1.00 0.00 C ATOM 945 CD GLU A 59 8.349 6.047 -5.082 1.00 0.00 C ATOM 946 OE1 GLU A 59 7.716 5.051 -5.496 1.00 0.00 O ATOM 947 OE2 GLU A 59 9.019 6.031 -4.035 1.00 0.00 O ATOM 0 H GLU A 59 7.649 10.852 -5.920 1.00 0.00 H new ATOM 0 HA GLU A 59 6.532 8.605 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.311 8.735 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.236 7.505 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.192 7.105 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.170 7.915 -5.730 1.00 0.00 H new ATOM 954 N PHE A 60 4.309 9.660 -7.182 1.00 0.00 N ATOM 955 CA PHE A 60 2.914 10.013 -6.967 1.00 0.00 C ATOM 956 C PHE A 60 2.161 8.789 -6.480 1.00 0.00 C ATOM 957 O PHE A 60 2.119 7.766 -7.165 1.00 0.00 O ATOM 958 CB PHE A 60 2.265 10.540 -8.256 1.00 0.00 C ATOM 959 CG PHE A 60 2.819 11.851 -8.740 1.00 0.00 C ATOM 960 CD1 PHE A 60 2.778 12.973 -7.931 1.00 0.00 C ATOM 961 CD2 PHE A 60 3.374 11.961 -10.004 1.00 0.00 C ATOM 962 CE1 PHE A 60 3.282 14.181 -8.371 1.00 0.00 C ATOM 963 CE2 PHE A 60 3.878 13.169 -10.452 1.00 0.00 C ATOM 964 CZ PHE A 60 3.832 14.279 -9.633 1.00 0.00 C ATOM 0 H PHE A 60 4.537 9.414 -8.145 1.00 0.00 H new ATOM 0 HA PHE A 60 2.869 10.805 -6.220 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.389 9.795 -9.042 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.194 10.652 -8.089 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.347 12.903 -6.943 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.414 11.094 -10.647 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.246 15.048 -7.728 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.307 13.243 -11.441 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.226 15.223 -9.979 1.00 0.00 H new ATOM 974 N LYS A 61 1.584 8.878 -5.295 1.00 0.00 N ATOM 975 CA LYS A 61 0.888 7.737 -4.722 1.00 0.00 C ATOM 976 C LYS A 61 -0.591 8.028 -4.518 1.00 0.00 C ATOM 977 O LYS A 61 -0.982 8.723 -3.580 1.00 0.00 O ATOM 978 CB LYS A 61 1.536 7.323 -3.400 1.00 0.00 C ATOM 979 CG LYS A 61 2.905 6.681 -3.559 1.00 0.00 C ATOM 980 CD LYS A 61 2.809 5.340 -4.267 1.00 0.00 C ATOM 981 CE LYS A 61 4.169 4.673 -4.390 1.00 0.00 C ATOM 982 NZ LYS A 61 5.107 5.470 -5.224 1.00 0.00 N ATOM 0 H LYS A 61 1.582 9.717 -4.715 1.00 0.00 H new ATOM 0 HA LYS A 61 0.970 6.912 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.630 8.202 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.876 6.625 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.557 7.347 -4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.361 6.545 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.131 4.686 -3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.382 5.482 -5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.596 4.534 -3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.048 3.682 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.086 5.195 -5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.915 5.291 -6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.978 6.482 -5.021 1.00 0.00 H new ATOM 996 N ASN A 62 -1.412 7.501 -5.413 1.00 0.00 N ATOM 997 CA ASN A 62 -2.853 7.605 -5.266 1.00 0.00 C ATOM 998 C ASN A 62 -3.343 6.569 -4.266 1.00 0.00 C ATOM 999 O ASN A 62 -2.657 5.582 -3.999 1.00 0.00 O ATOM 1000 CB ASN A 62 -3.567 7.413 -6.611 1.00 0.00 C ATOM 1001 CG ASN A 62 -3.418 8.609 -7.535 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -3.271 9.745 -7.087 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -3.477 8.365 -8.836 1.00 0.00 N ATOM 0 H ASN A 62 -1.105 6.999 -6.246 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.087 8.605 -4.901 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.169 6.527 -7.105 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.626 7.229 -6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.400 9.133 -9.503 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.600 7.409 -9.171 1.00 0.00 H new ATOM 1010 N ALA A 63 -4.532 6.791 -3.733 1.00 0.00 N ATOM 1011 CA ALA A 63 -5.130 5.898 -2.740 1.00 0.00 C ATOM 1012 C ALA A 63 -5.624 4.580 -3.352 1.00 0.00 C ATOM 1013 O ALA A 63 -6.610 4.011 -2.877 1.00 0.00 O ATOM 1014 CB ALA A 63 -6.287 6.610 -2.056 1.00 0.00 C ATOM 0 H ALA A 63 -5.115 7.593 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.354 5.645 -2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.735 5.948 -1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.920 7.510 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.036 6.883 -2.799 1.00 0.00 H new ATOM 1477 N ASP B 19 4.147 -0.497 6.890 1.00 0.00 N ATOM 1478 CA ASP B 19 5.125 0.464 7.390 1.00 0.00 C ATOM 1479 C ASP B 19 4.446 1.534 8.234 1.00 0.00 C ATOM 1480 O ASP B 19 5.025 2.035 9.195 1.00 0.00 O ATOM 1481 CB ASP B 19 5.862 1.136 6.226 1.00 0.00 C ATOM 1482 CG ASP B 19 6.765 0.186 5.468 1.00 0.00 C ATOM 1483 OD1 ASP B 19 6.246 -0.784 4.874 1.00 0.00 O ATOM 1484 OD2 ASP B 19 7.995 0.408 5.463 1.00 0.00 O ATOM 0 HA ASP B 19 5.841 -0.080 8.007 1.00 0.00 H new ATOM 0 HB2 ASP B 19 5.131 1.560 5.538 1.00 0.00 H new ATOM 0 HB3 ASP B 19 6.457 1.965 6.610 1.00 0.00 H new ATOM 1489 N VAL B 20 3.203 1.849 7.877 1.00 0.00 N ATOM 1490 CA VAL B 20 2.459 2.935 8.507 1.00 0.00 C ATOM 1491 C VAL B 20 3.258 4.226 8.394 1.00 0.00 C ATOM 1492 O VAL B 20 3.900 4.671 9.348 1.00 0.00 O ATOM 1493 CB VAL B 20 2.120 2.646 9.992 1.00 0.00 C ATOM 1494 CG1 VAL B 20 1.240 3.746 10.572 1.00 0.00 C ATOM 1495 CG2 VAL B 20 1.441 1.291 10.136 1.00 0.00 C ATOM 0 H VAL B 20 2.686 1.361 7.146 1.00 0.00 H new ATOM 0 HA VAL B 20 1.509 3.031 7.981 1.00 0.00 H new ATOM 0 HB VAL B 20 3.055 2.625 10.552 1.00 0.00 H new ATOM 0 HG11 VAL B 20 1.016 3.521 11.615 1.00 0.00 H new ATOM 0 HG12 VAL B 20 1.763 4.700 10.511 1.00 0.00 H new ATOM 0 HG13 VAL B 20 0.311 3.805 10.006 1.00 0.00 H new ATOM 0 HG21 VAL B 20 1.212 1.109 11.186 1.00 0.00 H new ATOM 0 HG22 VAL B 20 0.518 1.283 9.557 1.00 0.00 H new ATOM 0 HG23 VAL B 20 2.106 0.510 9.769 1.00 0.00 H new ATOM 1505 N GLN B 21 3.248 4.803 7.205 1.00 0.00 N ATOM 1506 CA GLN B 21 4.051 5.980 6.941 1.00 0.00 C ATOM 1507 C GLN B 21 3.243 7.243 7.176 1.00 0.00 C ATOM 1508 O GLN B 21 2.019 7.254 7.034 1.00 0.00 O ATOM 1509 CB GLN B 21 4.651 5.935 5.527 1.00 0.00 C ATOM 1510 CG GLN B 21 3.674 5.567 4.416 1.00 0.00 C ATOM 1511 CD GLN B 21 2.875 6.747 3.904 1.00 0.00 C ATOM 1512 OE1 GLN B 21 3.323 7.887 3.959 1.00 0.00 O ATOM 1513 NE2 GLN B 21 1.698 6.480 3.374 1.00 0.00 N ATOM 0 H GLN B 21 2.695 4.477 6.412 1.00 0.00 H new ATOM 0 HA GLN B 21 4.887 5.991 7.641 1.00 0.00 H new ATOM 0 HB2 GLN B 21 5.081 6.911 5.301 1.00 0.00 H new ATOM 0 HB3 GLN B 21 5.470 5.216 5.521 1.00 0.00 H new ATOM 0 HG2 GLN B 21 4.227 5.125 3.587 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.987 4.805 4.784 1.00 0.00 H new ATOM 0 HE21 GLN B 21 1.358 5.519 3.346 1.00 0.00 H new ATOM 0 HE22 GLN B 21 1.128 7.235 2.992 1.00 0.00 H new ATOM 1522 N ILE B 22 3.937 8.289 7.574 1.00 0.00 N ATOM 1523 CA ILE B 22 3.301 9.549 7.890 1.00 0.00 C ATOM 1524 C ILE B 22 3.960 10.672 7.100 1.00 0.00 C ATOM 1525 O ILE B 22 5.158 10.616 6.807 1.00 0.00 O ATOM 1526 CB ILE B 22 3.378 9.856 9.404 1.00 0.00 C ATOM 1527 CG1 ILE B 22 2.793 8.698 10.218 1.00 0.00 C ATOM 1528 CG2 ILE B 22 2.633 11.139 9.723 1.00 0.00 C ATOM 1529 CD1 ILE B 22 2.884 8.899 11.716 1.00 0.00 C ATOM 0 H ILE B 22 4.951 8.290 7.687 1.00 0.00 H new ATOM 0 HA ILE B 22 2.249 9.475 7.614 1.00 0.00 H new ATOM 0 HB ILE B 22 4.427 9.980 9.674 1.00 0.00 H new ATOM 0 HG12 ILE B 22 1.747 8.563 9.941 1.00 0.00 H new ATOM 0 HG13 ILE B 22 3.314 7.779 9.951 1.00 0.00 H new ATOM 0 HG21 ILE B 22 2.697 11.341 10.792 1.00 0.00 H new ATOM 0 HG22 ILE B 22 3.079 11.966 9.171 1.00 0.00 H new ATOM 0 HG23 ILE B 22 1.587 11.033 9.436 1.00 0.00 H new ATOM 0 HD11 ILE B 22 2.450 8.039 12.226 1.00 0.00 H new ATOM 0 HD12 ILE B 22 3.929 9.003 12.006 1.00 0.00 H new ATOM 0 HD13 ILE B 22 2.338 9.800 11.996 1.00 0.00 H new ATOM 1541 N ASP B 23 3.177 11.677 6.749 1.00 0.00 N ATOM 1542 CA ASP B 23 3.655 12.776 5.939 1.00 0.00 C ATOM 1543 C ASP B 23 4.297 13.853 6.812 1.00 0.00 C ATOM 1544 O ASP B 23 4.610 13.621 7.983 1.00 0.00 O ATOM 1545 CB ASP B 23 2.493 13.376 5.148 1.00 0.00 C ATOM 1546 CG ASP B 23 1.582 14.219 6.013 1.00 0.00 C ATOM 1547 OD1 ASP B 23 1.000 13.680 6.978 1.00 0.00 O ATOM 1548 OD2 ASP B 23 1.476 15.431 5.738 1.00 0.00 O ATOM 0 H ASP B 23 2.196 11.751 7.018 1.00 0.00 H new ATOM 0 HA ASP B 23 4.409 12.396 5.249 1.00 0.00 H new ATOM 0 HB2 ASP B 23 2.887 13.987 4.336 1.00 0.00 H new ATOM 0 HB3 ASP B 23 1.915 12.573 4.691 1.00 0.00 H new ATOM 1553 N PHE B 24 4.478 15.033 6.232 1.00 0.00 N ATOM 1554 CA PHE B 24 5.089 16.157 6.922 1.00 0.00 C ATOM 1555 C PHE B 24 4.181 16.682 8.044 1.00 0.00 C ATOM 1556 O PHE B 24 4.672 17.213 9.045 1.00 0.00 O ATOM 1557 CB PHE B 24 5.408 17.267 5.914 1.00 0.00 C ATOM 1558 CG PHE B 24 6.192 18.412 6.491 1.00 0.00 C ATOM 1559 CD1 PHE B 24 7.575 18.360 6.539 1.00 0.00 C ATOM 1560 CD2 PHE B 24 5.549 19.537 6.984 1.00 0.00 C ATOM 1561 CE1 PHE B 24 8.302 19.409 7.066 1.00 0.00 C ATOM 1562 CE2 PHE B 24 6.272 20.588 7.512 1.00 0.00 C ATOM 1563 CZ PHE B 24 7.650 20.524 7.553 1.00 0.00 C ATOM 0 H PHE B 24 4.205 15.235 5.270 1.00 0.00 H new ATOM 0 HA PHE B 24 6.016 15.819 7.386 1.00 0.00 H new ATOM 0 HB2 PHE B 24 5.969 16.839 5.083 1.00 0.00 H new ATOM 0 HB3 PHE B 24 4.474 17.650 5.504 1.00 0.00 H new ATOM 0 HD1 PHE B 24 8.090 17.490 6.160 1.00 0.00 H new ATOM 0 HD2 PHE B 24 4.471 19.592 6.955 1.00 0.00 H new ATOM 0 HE1 PHE B 24 9.380 19.357 7.097 1.00 0.00 H new ATOM 0 HE2 PHE B 24 5.760 21.459 7.893 1.00 0.00 H new ATOM 0 HZ PHE B 24 8.217 21.345 7.966 1.00 0.00 H new ATOM 1573 N TYR B 25 2.862 16.529 7.885 1.00 0.00 N ATOM 1574 CA TYR B 25 1.911 16.945 8.919 1.00 0.00 C ATOM 1575 C TYR B 25 2.168 16.205 10.228 1.00 0.00 C ATOM 1576 O TYR B 25 2.162 16.807 11.301 1.00 0.00 O ATOM 1577 CB TYR B 25 0.459 16.713 8.480 1.00 0.00 C ATOM 1578 CG TYR B 25 -0.148 17.857 7.695 1.00 0.00 C ATOM 1579 CD1 TYR B 25 -0.312 19.110 8.274 1.00 0.00 C ATOM 1580 CD2 TYR B 25 -0.575 17.681 6.384 1.00 0.00 C ATOM 1581 CE1 TYR B 25 -0.882 20.154 7.570 1.00 0.00 C ATOM 1582 CE2 TYR B 25 -1.144 18.720 5.671 1.00 0.00 C ATOM 1583 CZ TYR B 25 -1.294 19.955 6.270 1.00 0.00 C ATOM 1584 OH TYR B 25 -1.864 20.995 5.565 1.00 0.00 O ATOM 0 H TYR B 25 2.431 16.122 7.055 1.00 0.00 H new ATOM 0 HA TYR B 25 2.060 18.013 9.074 1.00 0.00 H new ATOM 0 HB2 TYR B 25 0.416 15.809 7.873 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -0.151 16.532 9.365 1.00 0.00 H new ATOM 0 HD1 TYR B 25 0.012 19.271 9.292 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -0.460 16.715 5.914 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -1.004 21.121 8.036 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -1.469 18.567 4.653 1.00 0.00 H new ATOM 0 HH TYR B 25 -1.496 21.846 5.882 1.00 0.00 H new ATOM 1594 N GLY B 26 2.394 14.903 10.137 1.00 0.00 N ATOM 1595 CA GLY B 26 2.705 14.125 11.320 1.00 0.00 C ATOM 1596 C GLY B 26 1.487 13.470 11.935 1.00 0.00 C ATOM 1597 O GLY B 26 1.510 13.083 13.102 1.00 0.00 O ATOM 0 H GLY B 26 2.368 14.371 9.267 1.00 0.00 H new ATOM 0 HA2 GLY B 26 3.432 13.356 11.061 1.00 0.00 H new ATOM 0 HA3 GLY B 26 3.175 14.772 12.060 1.00 0.00 H new ATOM 1601 N ASP B 27 0.421 13.343 11.157 1.00 0.00 N ATOM 1602 CA ASP B 27 -0.778 12.663 11.628 1.00 0.00 C ATOM 1603 C ASP B 27 -0.731 11.189 11.255 1.00 0.00 C ATOM 1604 O ASP B 27 -0.300 10.353 12.049 1.00 0.00 O ATOM 1605 CB ASP B 27 -2.043 13.321 11.069 1.00 0.00 C ATOM 1606 CG ASP B 27 -2.401 14.597 11.804 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -1.898 15.673 11.422 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -3.183 14.525 12.778 1.00 0.00 O ATOM 0 H ASP B 27 0.361 13.699 10.203 1.00 0.00 H new ATOM 0 HA ASP B 27 -0.811 12.747 12.714 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -1.898 13.542 10.012 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -2.875 12.620 11.137 1.00 0.00 H new ATOM 1613 N GLU B 28 -1.157 10.878 10.042 1.00 0.00 N ATOM 1614 CA GLU B 28 -1.096 9.520 9.522 1.00 0.00 C ATOM 1615 C GLU B 28 -1.411 9.536 8.040 1.00 0.00 C ATOM 1616 O GLU B 28 -2.257 10.313 7.592 1.00 0.00 O ATOM 1617 CB GLU B 28 -2.091 8.599 10.234 1.00 0.00 C ATOM 1618 CG GLU B 28 -1.892 7.129 9.902 1.00 0.00 C ATOM 1619 CD GLU B 28 -2.983 6.245 10.468 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -2.881 5.846 11.648 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -3.946 5.940 9.737 1.00 0.00 O ATOM 0 H GLU B 28 -1.554 11.556 9.391 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.090 9.137 9.696 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.997 8.737 11.311 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -3.105 8.892 9.962 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.858 7.007 8.819 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.928 6.801 10.290 1.00 0.00 H new ATOM 1628 N VAL B 29 -0.724 8.706 7.275 1.00 0.00 N ATOM 1629 CA VAL B 29 -1.031 8.564 5.868 1.00 0.00 C ATOM 1630 C VAL B 29 -1.329 7.108 5.545 1.00 0.00 C ATOM 1631 O VAL B 29 -0.444 6.331 5.189 1.00 0.00 O ATOM 1632 CB VAL B 29 0.104 9.089 4.966 1.00 0.00 C ATOM 1633 CG1 VAL B 29 -0.326 9.095 3.512 1.00 0.00 C ATOM 1634 CG2 VAL B 29 0.523 10.483 5.391 1.00 0.00 C ATOM 0 H VAL B 29 0.046 8.124 7.605 1.00 0.00 H new ATOM 0 HA VAL B 29 -1.912 9.172 5.663 1.00 0.00 H new ATOM 0 HB VAL B 29 0.958 8.420 5.074 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.490 9.469 2.893 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.580 8.081 3.204 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -1.197 9.740 3.393 1.00 0.00 H new ATOM 0 HG21 VAL B 29 1.325 10.836 4.742 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -0.329 11.158 5.314 1.00 0.00 H new ATOM 0 HG23 VAL B 29 0.875 10.459 6.422 1.00 0.00 H new ATOM 1644 N THR B 30 -2.577 6.736 5.732 1.00 0.00 N ATOM 1645 CA THR B 30 -3.044 5.410 5.383 1.00 0.00 C ATOM 1646 C THR B 30 -3.339 5.362 3.881 1.00 0.00 C ATOM 1647 O THR B 30 -3.593 6.401 3.275 1.00 0.00 O ATOM 1648 CB THR B 30 -4.291 5.039 6.234 1.00 0.00 C ATOM 1649 OG1 THR B 30 -5.037 3.970 5.645 1.00 0.00 O ATOM 1650 CG2 THR B 30 -5.197 6.239 6.443 1.00 0.00 C ATOM 0 H THR B 30 -3.295 7.342 6.129 1.00 0.00 H new ATOM 0 HA THR B 30 -2.274 4.671 5.603 1.00 0.00 H new ATOM 0 HB THR B 30 -3.918 4.707 7.203 1.00 0.00 H new ATOM 0 HG1 THR B 30 -5.812 3.763 6.208 1.00 0.00 H new ATOM 0 HG21 THR B 30 -6.059 5.944 7.042 1.00 0.00 H new ATOM 0 HG22 THR B 30 -4.647 7.025 6.961 1.00 0.00 H new ATOM 0 HG23 THR B 30 -5.537 6.611 5.476 1.00 0.00 H new ATOM 1658 N PRO B 31 -3.262 4.170 3.249 1.00 0.00 N ATOM 1659 CA PRO B 31 -3.448 4.008 1.789 1.00 0.00 C ATOM 1660 C PRO B 31 -4.821 4.457 1.260 1.00 0.00 C ATOM 1661 O PRO B 31 -5.172 4.158 0.118 1.00 0.00 O ATOM 1662 CB PRO B 31 -3.279 2.501 1.571 1.00 0.00 C ATOM 1663 CG PRO B 31 -2.501 2.030 2.747 1.00 0.00 C ATOM 1664 CD PRO B 31 -2.946 2.886 3.895 1.00 0.00 C ATOM 0 HA PRO B 31 -2.739 4.637 1.250 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -4.245 2.000 1.510 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -2.752 2.293 0.640 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -2.693 0.976 2.947 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -1.430 2.132 2.574 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -3.815 2.464 4.400 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -2.163 2.994 4.645 1.00 0.00 H new ATOM 1672 N VAL B 32 -5.594 5.154 2.078 1.00 0.00 N ATOM 1673 CA VAL B 32 -6.855 5.732 1.630 1.00 0.00 C ATOM 1674 C VAL B 32 -6.697 7.234 1.400 1.00 0.00 C ATOM 1675 O VAL B 32 -7.611 7.902 0.914 1.00 0.00 O ATOM 1676 CB VAL B 32 -7.996 5.482 2.641 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -8.231 3.990 2.828 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -7.696 6.151 3.974 1.00 0.00 C ATOM 0 H VAL B 32 -5.372 5.334 3.057 1.00 0.00 H new ATOM 0 HA VAL B 32 -7.120 5.242 0.693 1.00 0.00 H new ATOM 0 HB VAL B 32 -8.908 5.924 2.239 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -9.038 3.836 3.544 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -8.503 3.542 1.872 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -7.320 3.522 3.202 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -8.514 5.961 4.669 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -6.770 5.747 4.384 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -7.589 7.226 3.826 1.00 0.00 H new ATOM 1688 N ASP B 33 -5.526 7.751 1.746 1.00 0.00 N ATOM 1689 CA ASP B 33 -5.232 9.172 1.598 1.00 0.00 C ATOM 1690 C ASP B 33 -4.404 9.437 0.350 1.00 0.00 C ATOM 1691 O ASP B 33 -3.701 8.554 -0.143 1.00 0.00 O ATOM 1692 CB ASP B 33 -4.484 9.699 2.827 1.00 0.00 C ATOM 1693 CG ASP B 33 -5.406 9.996 3.991 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -5.964 11.113 4.037 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -5.567 9.129 4.874 1.00 0.00 O ATOM 0 H ASP B 33 -4.758 7.203 2.134 1.00 0.00 H new ATOM 0 HA ASP B 33 -6.184 9.694 1.503 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -3.740 8.965 3.137 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -3.943 10.606 2.557 1.00 0.00 H new ATOM 1700 N ASP B 34 -4.493 10.659 -0.157 1.00 0.00 N ATOM 1701 CA ASP B 34 -3.708 11.069 -1.314 1.00 0.00 C ATOM 1702 C ASP B 34 -2.382 11.644 -0.850 1.00 0.00 C ATOM 1703 O ASP B 34 -2.352 12.652 -0.141 1.00 0.00 O ATOM 1704 CB ASP B 34 -4.445 12.130 -2.138 1.00 0.00 C ATOM 1705 CG ASP B 34 -5.761 11.640 -2.712 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -6.771 11.612 -1.979 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -5.793 11.300 -3.912 1.00 0.00 O ATOM 0 H ASP B 34 -5.103 11.386 0.216 1.00 0.00 H new ATOM 0 HA ASP B 34 -3.545 10.191 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -4.633 13.001 -1.510 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -3.801 12.458 -2.954 1.00 0.00 H new ATOM 1712 N TYR B 35 -1.281 11.027 -1.245 1.00 0.00 N ATOM 1713 CA TYR B 35 0.024 11.523 -0.829 1.00 0.00 C ATOM 1714 C TYR B 35 1.066 11.352 -1.924 1.00 0.00 C ATOM 1715 O TYR B 35 0.894 10.567 -2.852 1.00 0.00 O ATOM 1716 CB TYR B 35 0.487 10.830 0.459 1.00 0.00 C ATOM 1717 CG TYR B 35 0.979 9.412 0.278 1.00 0.00 C ATOM 1718 CD1 TYR B 35 0.094 8.348 0.154 1.00 0.00 C ATOM 1719 CD2 TYR B 35 2.340 9.137 0.248 1.00 0.00 C ATOM 1720 CE1 TYR B 35 0.553 7.052 0.009 1.00 0.00 C ATOM 1721 CE2 TYR B 35 2.807 7.848 0.099 1.00 0.00 C ATOM 1722 CZ TYR B 35 1.911 6.808 -0.019 1.00 0.00 C ATOM 1723 OH TYR B 35 2.376 5.521 -0.161 1.00 0.00 O ATOM 0 H TYR B 35 -1.260 10.199 -1.840 1.00 0.00 H new ATOM 0 HA TYR B 35 -0.083 12.590 -0.633 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.286 11.422 0.906 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -0.340 10.824 1.169 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -0.969 8.536 0.171 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.046 9.948 0.343 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -0.147 6.235 -0.082 1.00 0.00 H new ATOM 0 HE2 TYR B 35 3.869 7.655 0.075 1.00 0.00 H new ATOM 0 HH TYR B 35 3.356 5.526 -0.162 1.00 0.00 H new ATOM 1733 N VAL B 36 2.140 12.106 -1.810 1.00 0.00 N ATOM 1734 CA VAL B 36 3.236 12.032 -2.758 1.00 0.00 C ATOM 1735 C VAL B 36 4.557 11.973 -2.007 1.00 0.00 C ATOM 1736 O VAL B 36 4.681 12.524 -0.912 1.00 0.00 O ATOM 1737 CB VAL B 36 3.234 13.243 -3.723 1.00 0.00 C ATOM 1738 CG1 VAL B 36 4.402 13.186 -4.700 1.00 0.00 C ATOM 1739 CG2 VAL B 36 1.920 13.325 -4.480 1.00 0.00 C ATOM 0 H VAL B 36 2.279 12.785 -1.062 1.00 0.00 H new ATOM 0 HA VAL B 36 3.109 11.128 -3.354 1.00 0.00 H new ATOM 0 HB VAL B 36 3.348 14.142 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL B 36 4.366 14.052 -5.361 1.00 0.00 H new ATOM 0 HG12 VAL B 36 5.341 13.191 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.336 12.274 -5.294 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.940 14.183 -5.152 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.777 12.413 -5.060 1.00 0.00 H new ATOM 0 HG23 VAL B 36 1.099 13.438 -3.772 1.00 0.00 H new ATOM 1749 N ILE B 37 5.521 11.262 -2.572 1.00 0.00 N ATOM 1750 CA ILE B 37 6.856 11.217 -2.007 1.00 0.00 C ATOM 1751 C ILE B 37 7.775 12.112 -2.823 1.00 0.00 C ATOM 1752 O ILE B 37 8.229 11.742 -3.916 1.00 0.00 O ATOM 1753 CB ILE B 37 7.416 9.781 -1.952 1.00 0.00 C ATOM 1754 CG1 ILE B 37 6.420 8.853 -1.249 1.00 0.00 C ATOM 1755 CG2 ILE B 37 8.757 9.763 -1.231 1.00 0.00 C ATOM 1756 CD1 ILE B 37 6.861 7.405 -1.193 1.00 0.00 C ATOM 0 H ILE B 37 5.401 10.709 -3.421 1.00 0.00 H new ATOM 0 HA ILE B 37 6.802 11.576 -0.979 1.00 0.00 H new ATOM 0 HB ILE B 37 7.567 9.425 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.259 9.213 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE B 37 5.461 8.910 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE B 37 9.140 8.743 -1.200 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.464 10.400 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE B 37 8.628 10.133 -0.214 1.00 0.00 H new ATOM 0 HD11 ILE B 37 6.103 6.813 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE B 37 6.994 7.026 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE B 37 7.805 7.333 -0.652 1.00 0.00 H new ATOM 1768 N ASP B 38 8.006 13.304 -2.296 1.00 0.00 N ATOM 1769 CA ASP B 38 8.799 14.313 -2.974 1.00 0.00 C ATOM 1770 C ASP B 38 10.234 14.283 -2.477 1.00 0.00 C ATOM 1771 O ASP B 38 10.579 14.914 -1.479 1.00 0.00 O ATOM 1772 CB ASP B 38 8.198 15.707 -2.762 1.00 0.00 C ATOM 1773 CG ASP B 38 6.831 15.863 -3.401 1.00 0.00 C ATOM 1774 OD1 ASP B 38 5.824 15.532 -2.741 1.00 0.00 O ATOM 1775 OD2 ASP B 38 6.766 16.322 -4.560 1.00 0.00 O ATOM 0 H ASP B 38 7.649 13.598 -1.387 1.00 0.00 H new ATOM 0 HA ASP B 38 8.792 14.090 -4.041 1.00 0.00 H new ATOM 0 HB2 ASP B 38 8.119 15.904 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP B 38 8.874 16.456 -3.175 1.00 0.00 H new ATOM 1780 N GLY B 39 11.053 13.494 -3.152 1.00 0.00 N ATOM 1781 CA GLY B 39 12.466 13.437 -2.832 1.00 0.00 C ATOM 1782 C GLY B 39 12.737 12.711 -1.532 1.00 0.00 C ATOM 1783 O GLY B 39 13.622 13.095 -0.770 1.00 0.00 O ATOM 0 H GLY B 39 10.765 12.888 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY B 39 12.999 12.937 -3.641 1.00 0.00 H new ATOM 0 HA3 GLY B 39 12.862 14.451 -2.768 1.00 0.00 H new ATOM 1787 N GLY B 40 11.971 11.662 -1.270 1.00 0.00 N ATOM 1788 CA GLY B 40 12.169 10.886 -0.063 1.00 0.00 C ATOM 1789 C GLY B 40 11.217 11.282 1.046 1.00 0.00 C ATOM 1790 O GLY B 40 10.903 10.473 1.918 1.00 0.00 O ATOM 0 H GLY B 40 11.216 11.334 -1.872 1.00 0.00 H new ATOM 0 HA2 GLY B 40 12.037 9.828 -0.290 1.00 0.00 H new ATOM 0 HA3 GLY B 40 13.195 11.012 0.282 1.00 0.00 H new ATOM 1794 N GLU B 41 10.754 12.524 1.018 1.00 0.00 N ATOM 1795 CA GLU B 41 9.841 13.014 2.038 1.00 0.00 C ATOM 1796 C GLU B 41 8.396 12.808 1.593 1.00 0.00 C ATOM 1797 O GLU B 41 8.077 12.940 0.416 1.00 0.00 O ATOM 1798 CB GLU B 41 10.118 14.492 2.337 1.00 0.00 C ATOM 1799 CG GLU B 41 9.301 15.045 3.494 1.00 0.00 C ATOM 1800 CD GLU B 41 9.791 16.402 3.955 1.00 0.00 C ATOM 1801 OE1 GLU B 41 9.383 17.421 3.365 1.00 0.00 O ATOM 1802 OE2 GLU B 41 10.596 16.453 4.911 1.00 0.00 O ATOM 0 H GLU B 41 10.996 13.208 0.301 1.00 0.00 H new ATOM 0 HA GLU B 41 10.000 12.448 2.956 1.00 0.00 H new ATOM 0 HB2 GLU B 41 11.178 14.616 2.560 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.910 15.080 1.443 1.00 0.00 H new ATOM 0 HG2 GLU B 41 8.257 15.123 3.192 1.00 0.00 H new ATOM 0 HG3 GLU B 41 9.340 14.345 4.329 1.00 0.00 H new ATOM 1809 N ILE B 42 7.538 12.463 2.536 1.00 0.00 N ATOM 1810 CA ILE B 42 6.143 12.178 2.243 1.00 0.00 C ATOM 1811 C ILE B 42 5.269 13.376 2.591 1.00 0.00 C ATOM 1812 O ILE B 42 5.362 13.918 3.692 1.00 0.00 O ATOM 1813 CB ILE B 42 5.668 10.938 3.031 1.00 0.00 C ATOM 1814 CG1 ILE B 42 6.473 9.707 2.608 1.00 0.00 C ATOM 1815 CG2 ILE B 42 4.180 10.700 2.824 1.00 0.00 C ATOM 1816 CD1 ILE B 42 6.360 8.543 3.567 1.00 0.00 C ATOM 0 H ILE B 42 7.785 12.373 3.521 1.00 0.00 H new ATOM 0 HA ILE B 42 6.054 11.974 1.176 1.00 0.00 H new ATOM 0 HB ILE B 42 5.834 11.119 4.093 1.00 0.00 H new ATOM 0 HG12 ILE B 42 6.137 9.387 1.622 1.00 0.00 H new ATOM 0 HG13 ILE B 42 7.522 9.986 2.513 1.00 0.00 H new ATOM 0 HG21 ILE B 42 3.870 9.821 3.389 1.00 0.00 H new ATOM 0 HG22 ILE B 42 3.621 11.570 3.170 1.00 0.00 H new ATOM 0 HG23 ILE B 42 3.981 10.539 1.764 1.00 0.00 H new ATOM 0 HD11 ILE B 42 6.958 7.709 3.199 1.00 0.00 H new ATOM 0 HD12 ILE B 42 6.724 8.844 4.549 1.00 0.00 H new ATOM 0 HD13 ILE B 42 5.317 8.236 3.645 1.00 0.00 H new ATOM 1828 N ILE B 43 4.443 13.807 1.648 1.00 0.00 N ATOM 1829 CA ILE B 43 3.536 14.921 1.882 1.00 0.00 C ATOM 1830 C ILE B 43 2.108 14.522 1.546 1.00 0.00 C ATOM 1831 O ILE B 43 1.834 14.020 0.452 1.00 0.00 O ATOM 1832 CB ILE B 43 3.902 16.180 1.050 1.00 0.00 C ATOM 1833 CG1 ILE B 43 5.350 16.612 1.287 1.00 0.00 C ATOM 1834 CG2 ILE B 43 2.962 17.331 1.373 1.00 0.00 C ATOM 1835 CD1 ILE B 43 6.355 15.829 0.476 1.00 0.00 C ATOM 0 H ILE B 43 4.382 13.402 0.714 1.00 0.00 H new ATOM 0 HA ILE B 43 3.629 15.171 2.939 1.00 0.00 H new ATOM 0 HB ILE B 43 3.794 15.914 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE B 43 5.448 17.671 1.048 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.585 16.501 2.346 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.237 18.203 0.779 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.938 17.041 1.139 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.037 17.576 2.433 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.360 16.190 0.695 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.285 14.772 0.732 1.00 0.00 H new ATOM 0 HD13 ILE B 43 6.146 15.959 -0.586 1.00 0.00 H new ATOM 1847 N LEU B 44 1.202 14.725 2.492 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.212 14.530 2.236 1.00 0.00 C ATOM 1849 C LEU B 44 -0.679 15.629 1.288 1.00 0.00 C ATOM 1850 O LEU B 44 -0.343 16.801 1.477 1.00 0.00 O ATOM 1851 CB LEU B 44 -0.993 14.570 3.554 1.00 0.00 C ATOM 1852 CG LEU B 44 -2.168 13.591 3.664 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -2.684 13.548 5.091 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -3.292 13.971 2.714 1.00 0.00 C ATOM 0 H LEU B 44 1.424 15.024 3.442 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.388 13.557 1.778 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -0.300 14.370 4.371 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -1.373 15.581 3.699 1.00 0.00 H new ATOM 0 HG LEU B 44 -1.808 12.601 3.384 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -3.518 12.849 5.155 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -1.885 13.222 5.757 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -3.020 14.542 5.387 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.110 13.258 2.815 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.650 14.972 2.956 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -2.923 13.956 1.689 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.448 15.263 0.268 1.00 0.00 N ATOM 1867 CA ARG B 45 -1.786 16.204 -0.797 1.00 0.00 C ATOM 1868 C ARG B 45 -2.721 17.314 -0.338 1.00 0.00 C ATOM 1869 O ARG B 45 -3.074 18.197 -1.118 1.00 0.00 O ATOM 1870 CB ARG B 45 -2.344 15.484 -2.023 1.00 0.00 C ATOM 1871 CG ARG B 45 -1.266 14.743 -2.795 1.00 0.00 C ATOM 1872 CD ARG B 45 -1.610 14.602 -4.268 1.00 0.00 C ATOM 1873 NE ARG B 45 -2.732 13.709 -4.469 1.00 0.00 N ATOM 1874 CZ ARG B 45 -2.872 12.909 -5.533 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -2.038 13.018 -6.566 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -3.865 12.030 -5.590 1.00 0.00 N ATOM 0 H ARG B 45 -1.846 14.331 0.155 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.851 16.687 -1.082 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -3.113 14.778 -1.709 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -2.825 16.209 -2.680 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -0.319 15.274 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -1.125 13.754 -2.360 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -1.845 15.582 -4.683 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -0.743 14.226 -4.811 1.00 0.00 H new ATOM 0 HE ARG B 45 -3.461 13.688 -3.756 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -1.291 13.712 -6.547 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -2.147 12.407 -7.376 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -4.529 11.960 -4.819 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -3.964 11.424 -6.405 1.00 0.00 H new ATOM 1890 N GLU B 46 -3.087 17.290 0.932 1.00 0.00 N ATOM 1891 CA GLU B 46 -3.829 18.389 1.527 1.00 0.00 C ATOM 1892 C GLU B 46 -2.944 19.630 1.639 1.00 0.00 C ATOM 1893 O GLU B 46 -3.437 20.744 1.814 1.00 0.00 O ATOM 1894 CB GLU B 46 -4.354 17.990 2.905 1.00 0.00 C ATOM 1895 CG GLU B 46 -5.409 16.899 2.857 1.00 0.00 C ATOM 1896 CD GLU B 46 -6.635 17.321 2.079 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -7.427 18.133 2.605 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -6.811 16.853 0.935 1.00 0.00 O ATOM 0 H GLU B 46 -2.883 16.522 1.571 1.00 0.00 H new ATOM 0 HA GLU B 46 -4.677 18.623 0.883 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -3.520 17.651 3.519 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -4.773 18.869 3.394 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -4.983 16.004 2.403 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.700 16.633 3.873 1.00 0.00 H new ATOM 1905 N ASN B 47 -1.628 19.431 1.554 1.00 0.00 N ATOM 1906 CA ASN B 47 -0.688 20.549 1.588 1.00 0.00 C ATOM 1907 C ASN B 47 0.299 20.478 0.420 1.00 0.00 C ATOM 1908 O ASN B 47 1.196 21.316 0.307 1.00 0.00 O ATOM 1909 CB ASN B 47 0.089 20.560 2.909 1.00 0.00 C ATOM 1910 CG ASN B 47 0.829 21.870 3.145 1.00 0.00 C ATOM 1911 OD1 ASN B 47 0.358 22.943 2.761 1.00 0.00 O ATOM 1912 ND2 ASN B 47 1.999 21.794 3.761 1.00 0.00 N ATOM 0 H ASN B 47 -1.193 18.513 1.462 1.00 0.00 H new ATOM 0 HA ASN B 47 -1.268 21.468 1.502 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -0.602 20.384 3.734 1.00 0.00 H new ATOM 0 HB3 ASN B 47 0.805 19.738 2.912 1.00 0.00 H new ATOM 0 HD21 ASN B 47 2.542 22.641 3.932 1.00 0.00 H new ATOM 0 HD22 ASN B 47 2.358 20.889 4.065 1.00 0.00 H new ATOM 1919 N LEU B 48 0.125 19.494 -0.467 1.00 0.00 N ATOM 1920 CA LEU B 48 1.084 19.284 -1.558 1.00 0.00 C ATOM 1921 C LEU B 48 1.222 20.538 -2.420 1.00 0.00 C ATOM 1922 O LEU B 48 2.305 20.837 -2.923 1.00 0.00 O ATOM 1923 CB LEU B 48 0.703 18.081 -2.443 1.00 0.00 C ATOM 1924 CG LEU B 48 1.673 17.825 -3.600 1.00 0.00 C ATOM 1925 CD1 LEU B 48 3.047 17.450 -3.066 1.00 0.00 C ATOM 1926 CD2 LEU B 48 1.148 16.739 -4.518 1.00 0.00 C ATOM 0 H LEU B 48 -0.657 18.839 -0.454 1.00 0.00 H new ATOM 0 HA LEU B 48 2.044 19.067 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU B 48 0.652 17.187 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.295 18.244 -2.849 1.00 0.00 H new ATOM 0 HG LEU B 48 1.761 18.744 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU B 48 3.725 17.271 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.433 18.264 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU B 48 2.968 16.546 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU B 48 1.855 16.577 -5.331 1.00 0.00 H new ATOM 0 HD22 LEU B 48 1.025 15.814 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.186 17.044 -4.930 1.00 0.00 H new ATOM 1938 N GLU B 49 0.129 21.280 -2.560 1.00 0.00 N ATOM 1939 CA GLU B 49 0.132 22.507 -3.348 1.00 0.00 C ATOM 1940 C GLU B 49 1.179 23.486 -2.822 1.00 0.00 C ATOM 1941 O GLU B 49 2.039 23.958 -3.567 1.00 0.00 O ATOM 1942 CB GLU B 49 -1.246 23.165 -3.314 1.00 0.00 C ATOM 1943 CG GLU B 49 -2.378 22.224 -3.682 1.00 0.00 C ATOM 1944 CD GLU B 49 -3.685 22.953 -3.895 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -4.234 23.497 -2.919 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -4.154 23.002 -5.053 1.00 0.00 O ATOM 0 H GLU B 49 -0.771 21.053 -2.138 1.00 0.00 H new ATOM 0 HA GLU B 49 0.380 22.246 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -1.425 23.562 -2.315 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -1.252 24.012 -4.000 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -2.115 21.681 -4.590 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -2.503 21.483 -2.892 1.00 0.00 H new ATOM 1953 N ARG B 50 1.122 23.763 -1.524 1.00 0.00 N ATOM 1954 CA ARG B 50 2.043 24.709 -0.907 1.00 0.00 C ATOM 1955 C ARG B 50 3.447 24.129 -0.833 1.00 0.00 C ATOM 1956 O ARG B 50 4.431 24.858 -0.934 1.00 0.00 O ATOM 1957 CB ARG B 50 1.562 25.117 0.488 1.00 0.00 C ATOM 1958 CG ARG B 50 0.608 26.306 0.488 1.00 0.00 C ATOM 1959 CD ARG B 50 -0.663 26.024 -0.295 1.00 0.00 C ATOM 1960 NE ARG B 50 -1.559 27.179 -0.320 1.00 0.00 N ATOM 1961 CZ ARG B 50 -2.871 27.099 -0.560 1.00 0.00 C ATOM 1962 NH1 ARG B 50 -3.422 25.933 -0.880 1.00 0.00 N ATOM 1963 NH2 ARG B 50 -3.630 28.184 -0.489 1.00 0.00 N ATOM 0 H ARG B 50 0.449 23.347 -0.880 1.00 0.00 H new ATOM 0 HA ARG B 50 2.070 25.601 -1.533 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.066 24.266 0.954 1.00 0.00 H new ATOM 0 HB3 ARG B 50 2.428 25.358 1.104 1.00 0.00 H new ATOM 0 HG2 ARG B 50 0.350 26.562 1.516 1.00 0.00 H new ATOM 0 HG3 ARG B 50 1.111 27.173 0.060 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -0.405 25.743 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -1.181 25.173 0.148 1.00 0.00 H new ATOM 0 HE ARG B 50 -1.159 28.101 -0.144 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -2.843 25.096 -0.943 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -4.424 25.875 -1.063 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -3.213 29.084 -0.251 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -4.631 28.119 -0.673 1.00 0.00 H new ATOM 1977 N TYR B 51 3.541 22.814 -0.685 1.00 0.00 N ATOM 1978 CA TYR B 51 4.839 22.164 -0.625 1.00 0.00 C ATOM 1979 C TYR B 51 5.564 22.302 -1.962 1.00 0.00 C ATOM 1980 O TYR B 51 6.773 22.522 -2.000 1.00 0.00 O ATOM 1981 CB TYR B 51 4.708 20.691 -0.244 1.00 0.00 C ATOM 1982 CG TYR B 51 6.041 20.056 0.080 1.00 0.00 C ATOM 1983 CD1 TYR B 51 6.625 20.239 1.327 1.00 0.00 C ATOM 1984 CD2 TYR B 51 6.728 19.300 -0.863 1.00 0.00 C ATOM 1985 CE1 TYR B 51 7.851 19.685 1.628 1.00 0.00 C ATOM 1986 CE2 TYR B 51 7.959 18.745 -0.569 1.00 0.00 C ATOM 1987 CZ TYR B 51 8.514 18.941 0.677 1.00 0.00 C ATOM 1988 OH TYR B 51 9.742 18.397 0.976 1.00 0.00 O ATOM 0 H TYR B 51 2.742 22.184 -0.605 1.00 0.00 H new ATOM 0 HA TYR B 51 5.424 22.659 0.150 1.00 0.00 H new ATOM 0 HB2 TYR B 51 4.047 20.599 0.618 1.00 0.00 H new ATOM 0 HB3 TYR B 51 4.240 20.147 -1.064 1.00 0.00 H new ATOM 0 HD1 TYR B 51 6.110 20.825 2.073 1.00 0.00 H new ATOM 0 HD2 TYR B 51 6.293 19.144 -1.839 1.00 0.00 H new ATOM 0 HE1 TYR B 51 8.289 19.833 2.604 1.00 0.00 H new ATOM 0 HE2 TYR B 51 8.483 18.161 -1.311 1.00 0.00 H new ATOM 0 HH TYR B 51 9.845 18.336 1.949 1.00 0.00 H new ATOM 1998 N LEU B 52 4.826 22.181 -3.058 1.00 0.00 N ATOM 1999 CA LEU B 52 5.407 22.360 -4.382 1.00 0.00 C ATOM 2000 C LEU B 52 5.784 23.816 -4.620 1.00 0.00 C ATOM 2001 O LEU B 52 6.718 24.112 -5.356 1.00 0.00 O ATOM 2002 CB LEU B 52 4.454 21.884 -5.479 1.00 0.00 C ATOM 2003 CG LEU B 52 4.166 20.382 -5.489 1.00 0.00 C ATOM 2004 CD1 LEU B 52 3.385 20.010 -6.736 1.00 0.00 C ATOM 2005 CD2 LEU B 52 5.458 19.583 -5.415 1.00 0.00 C ATOM 0 H LEU B 52 3.830 21.961 -3.057 1.00 0.00 H new ATOM 0 HA LEU B 52 6.310 21.751 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU B 52 3.509 22.418 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.871 22.164 -6.446 1.00 0.00 H new ATOM 0 HG LEU B 52 3.567 20.140 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU B 52 3.185 18.939 -6.734 1.00 0.00 H new ATOM 0 HD12 LEU B 52 2.441 20.555 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU B 52 3.967 20.269 -7.621 1.00 0.00 H new ATOM 0 HD21 LEU B 52 5.228 18.518 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.085 19.826 -6.273 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.988 19.832 -4.496 1.00 0.00 H new ATOM 2017 N ARG B 53 5.058 24.725 -3.986 1.00 0.00 N ATOM 2018 CA ARG B 53 5.375 26.144 -4.075 1.00 0.00 C ATOM 2019 C ARG B 53 6.725 26.437 -3.416 1.00 0.00 C ATOM 2020 O ARG B 53 7.466 27.316 -3.855 1.00 0.00 O ATOM 2021 CB ARG B 53 4.269 26.982 -3.423 1.00 0.00 C ATOM 2022 CG ARG B 53 2.929 26.869 -4.134 1.00 0.00 C ATOM 2023 CD ARG B 53 1.813 27.571 -3.372 1.00 0.00 C ATOM 2024 NE ARG B 53 2.018 29.014 -3.278 1.00 0.00 N ATOM 2025 CZ ARG B 53 1.149 29.918 -3.725 1.00 0.00 C ATOM 2026 NH1 ARG B 53 0.023 29.531 -4.314 1.00 0.00 N ATOM 2027 NH2 ARG B 53 1.398 31.212 -3.576 1.00 0.00 N ATOM 0 H ARG B 53 4.248 24.507 -3.406 1.00 0.00 H new ATOM 0 HA ARG B 53 5.440 26.415 -5.129 1.00 0.00 H new ATOM 0 HB2 ARG B 53 4.149 26.669 -2.386 1.00 0.00 H new ATOM 0 HB3 ARG B 53 4.577 28.028 -3.407 1.00 0.00 H new ATOM 0 HG2 ARG B 53 3.012 27.299 -5.132 1.00 0.00 H new ATOM 0 HG3 ARG B 53 2.674 25.817 -4.261 1.00 0.00 H new ATOM 0 HD2 ARG B 53 0.861 27.374 -3.866 1.00 0.00 H new ATOM 0 HD3 ARG B 53 1.744 27.152 -2.368 1.00 0.00 H new ATOM 0 HE ARG B 53 2.878 29.349 -2.844 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -0.179 28.537 -4.425 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -0.640 30.227 -4.655 1.00 0.00 H new ATOM 0 HH21 ARG B 53 2.257 31.517 -3.118 1.00 0.00 H new ATOM 0 HH22 ARG B 53 0.731 31.903 -3.919 1.00 0.00 H new ATOM 2041 N GLU B 54 7.046 25.678 -2.371 1.00 0.00 N ATOM 2042 CA GLU B 54 8.297 25.867 -1.645 1.00 0.00 C ATOM 2043 C GLU B 54 9.400 24.936 -2.161 1.00 0.00 C ATOM 2044 O GLU B 54 10.422 25.397 -2.673 1.00 0.00 O ATOM 2045 CB GLU B 54 8.071 25.627 -0.152 1.00 0.00 C ATOM 2046 CG GLU B 54 6.984 26.511 0.440 1.00 0.00 C ATOM 2047 CD GLU B 54 6.874 26.372 1.939 1.00 0.00 C ATOM 2048 OE1 GLU B 54 7.555 27.134 2.656 1.00 0.00 O ATOM 2049 OE2 GLU B 54 6.096 25.517 2.412 1.00 0.00 O ATOM 0 H GLU B 54 6.457 24.928 -2.009 1.00 0.00 H new ATOM 0 HA GLU B 54 8.625 26.894 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU B 54 7.806 24.582 0.005 1.00 0.00 H new ATOM 0 HB3 GLU B 54 9.004 25.803 0.383 1.00 0.00 H new ATOM 0 HG2 GLU B 54 7.191 27.552 0.190 1.00 0.00 H new ATOM 0 HG3 GLU B 54 6.027 26.258 -0.016 1.00 0.00 H new ATOM 2056 N GLN B 55 9.184 23.634 -2.032 1.00 0.00 N ATOM 2057 CA GLN B 55 10.193 22.637 -2.387 1.00 0.00 C ATOM 2058 C GLN B 55 10.130 22.299 -3.872 1.00 0.00 C ATOM 2059 O GLN B 55 11.163 22.154 -4.529 1.00 0.00 O ATOM 2060 CB GLN B 55 9.971 21.363 -1.573 1.00 0.00 C ATOM 2061 CG GLN B 55 11.045 20.307 -1.772 1.00 0.00 C ATOM 2062 CD GLN B 55 12.215 20.491 -0.829 1.00 0.00 C ATOM 2063 OE1 GLN B 55 13.176 21.198 -1.133 1.00 0.00 O ATOM 2064 NE2 GLN B 55 12.138 19.848 0.322 1.00 0.00 N ATOM 0 H GLN B 55 8.312 23.238 -1.681 1.00 0.00 H new ATOM 0 HA GLN B 55 11.175 23.055 -2.164 1.00 0.00 H new ATOM 0 HB2 GLN B 55 9.924 21.623 -0.516 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.004 20.937 -1.840 1.00 0.00 H new ATOM 0 HG2 GLN B 55 10.612 19.318 -1.621 1.00 0.00 H new ATOM 0 HG3 GLN B 55 11.402 20.344 -2.801 1.00 0.00 H new ATOM 0 HE21 GLN B 55 11.322 19.273 0.531 1.00 0.00 H new ATOM 0 HE22 GLN B 55 12.895 19.926 1.002 1.00 0.00 H new ATOM 2073 N LEU B 56 8.903 22.157 -4.372 1.00 0.00 N ATOM 2074 CA LEU B 56 8.635 21.801 -5.771 1.00 0.00 C ATOM 2075 C LEU B 56 8.936 20.323 -6.032 1.00 0.00 C ATOM 2076 O LEU B 56 9.012 19.885 -7.176 1.00 0.00 O ATOM 2077 CB LEU B 56 9.425 22.701 -6.737 1.00 0.00 C ATOM 2078 CG LEU B 56 8.993 22.628 -8.204 1.00 0.00 C ATOM 2079 CD1 LEU B 56 7.553 23.085 -8.362 1.00 0.00 C ATOM 2080 CD2 LEU B 56 9.917 23.468 -9.073 1.00 0.00 C ATOM 0 H LEU B 56 8.058 22.286 -3.816 1.00 0.00 H new ATOM 0 HA LEU B 56 7.573 21.965 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU B 56 9.335 23.734 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU B 56 10.480 22.436 -6.673 1.00 0.00 H new ATOM 0 HG LEU B 56 9.060 21.590 -8.530 1.00 0.00 H new ATOM 0 HD11 LEU B 56 7.266 23.026 -9.412 1.00 0.00 H new ATOM 0 HD12 LEU B 56 6.901 22.443 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU B 56 7.458 24.115 -8.018 1.00 0.00 H new ATOM 0 HD21 LEU B 56 9.596 23.405 -10.113 1.00 0.00 H new ATOM 0 HD22 LEU B 56 9.881 24.507 -8.744 1.00 0.00 H new ATOM 0 HD23 LEU B 56 10.937 23.095 -8.985 1.00 0.00 H new ATOM 2092 N GLY B 57 9.106 19.559 -4.958 1.00 0.00 N ATOM 2093 CA GLY B 57 9.250 18.116 -5.081 1.00 0.00 C ATOM 2094 C GLY B 57 10.684 17.667 -5.287 1.00 0.00 C ATOM 2095 O GLY B 57 11.056 16.556 -4.904 1.00 0.00 O ATOM 0 H GLY B 57 9.147 19.912 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY B 57 8.854 17.641 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY B 57 8.645 17.768 -5.918 1.00 0.00 H new ATOM 2099 N PHE B 58 11.486 18.519 -5.901 1.00 0.00 N ATOM 2100 CA PHE B 58 12.877 18.189 -6.180 1.00 0.00 C ATOM 2101 C PHE B 58 13.695 18.139 -4.900 1.00 0.00 C ATOM 2102 O PHE B 58 13.715 19.100 -4.132 1.00 0.00 O ATOM 2103 CB PHE B 58 13.503 19.225 -7.116 1.00 0.00 C ATOM 2104 CG PHE B 58 12.912 19.261 -8.495 1.00 0.00 C ATOM 2105 CD1 PHE B 58 13.399 18.433 -9.491 1.00 0.00 C ATOM 2106 CD2 PHE B 58 11.885 20.138 -8.799 1.00 0.00 C ATOM 2107 CE1 PHE B 58 12.870 18.478 -10.765 1.00 0.00 C ATOM 2108 CE2 PHE B 58 11.350 20.185 -10.070 1.00 0.00 C ATOM 2109 CZ PHE B 58 11.843 19.355 -11.055 1.00 0.00 C ATOM 0 H PHE B 58 11.200 19.446 -6.217 1.00 0.00 H new ATOM 0 HA PHE B 58 12.886 17.208 -6.655 1.00 0.00 H new ATOM 0 HB2 PHE B 58 13.399 20.212 -6.665 1.00 0.00 H new ATOM 0 HB3 PHE B 58 14.571 19.022 -7.198 1.00 0.00 H new ATOM 0 HD1 PHE B 58 14.201 17.745 -9.269 1.00 0.00 H new ATOM 0 HD2 PHE B 58 11.498 20.793 -8.032 1.00 0.00 H new ATOM 0 HE1 PHE B 58 13.259 17.828 -11.535 1.00 0.00 H new ATOM 0 HE2 PHE B 58 10.546 20.871 -10.293 1.00 0.00 H new ATOM 0 HZ PHE B 58 11.427 19.391 -12.051 1.00 0.00 H new ATOM 2119 N GLU B 59 14.383 17.028 -4.673 1.00 0.00 N ATOM 2120 CA GLU B 59 15.377 16.994 -3.619 1.00 0.00 C ATOM 2121 C GLU B 59 16.726 17.349 -4.224 1.00 0.00 C ATOM 2122 O GLU B 59 17.368 16.529 -4.876 1.00 0.00 O ATOM 2123 CB GLU B 59 15.430 15.613 -2.948 1.00 0.00 C ATOM 2124 CG GLU B 59 16.651 15.389 -2.057 1.00 0.00 C ATOM 2125 CD GLU B 59 16.736 16.348 -0.879 1.00 0.00 C ATOM 2126 OE1 GLU B 59 17.099 17.525 -1.086 1.00 0.00 O ATOM 2127 OE2 GLU B 59 16.472 15.918 0.263 1.00 0.00 O ATOM 0 H GLU B 59 14.272 16.158 -5.194 1.00 0.00 H new ATOM 0 HA GLU B 59 15.112 17.715 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU B 59 14.529 15.479 -2.349 1.00 0.00 H new ATOM 0 HB3 GLU B 59 15.415 14.846 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU B 59 16.631 14.366 -1.680 1.00 0.00 H new ATOM 0 HG3 GLU B 59 17.553 15.489 -2.661 1.00 0.00 H new ATOM 2134 N PHE B 60 17.138 18.586 -4.007 1.00 0.00 N ATOM 2135 CA PHE B 60 18.411 19.061 -4.509 1.00 0.00 C ATOM 2136 C PHE B 60 19.457 18.846 -3.442 1.00 0.00 C ATOM 2137 O PHE B 60 19.735 19.736 -2.639 1.00 0.00 O ATOM 2138 CB PHE B 60 18.326 20.539 -4.892 1.00 0.00 C ATOM 2139 CG PHE B 60 18.711 20.819 -6.316 1.00 0.00 C ATOM 2140 CD1 PHE B 60 20.029 21.081 -6.654 1.00 0.00 C ATOM 2141 CD2 PHE B 60 17.753 20.817 -7.319 1.00 0.00 C ATOM 2142 CE1 PHE B 60 20.384 21.337 -7.965 1.00 0.00 C ATOM 2143 CE2 PHE B 60 18.103 21.072 -8.631 1.00 0.00 C ATOM 2144 CZ PHE B 60 19.420 21.333 -8.955 1.00 0.00 C ATOM 0 H PHE B 60 16.605 19.281 -3.484 1.00 0.00 H new ATOM 0 HA PHE B 60 18.681 18.506 -5.407 1.00 0.00 H new ATOM 0 HB2 PHE B 60 17.308 20.890 -4.725 1.00 0.00 H new ATOM 0 HB3 PHE B 60 18.974 21.114 -4.230 1.00 0.00 H new ATOM 0 HD1 PHE B 60 20.787 21.085 -5.885 1.00 0.00 H new ATOM 0 HD2 PHE B 60 16.722 20.614 -7.072 1.00 0.00 H new ATOM 0 HE1 PHE B 60 21.415 21.540 -8.216 1.00 0.00 H new ATOM 0 HE2 PHE B 60 17.347 21.067 -9.403 1.00 0.00 H new ATOM 0 HZ PHE B 60 19.696 21.534 -9.980 1.00 0.00 H new ATOM 2154 N LYS B 61 20.025 17.655 -3.427 1.00 0.00 N ATOM 2155 CA LYS B 61 20.843 17.227 -2.312 1.00 0.00 C ATOM 2156 C LYS B 61 22.270 17.736 -2.466 1.00 0.00 C ATOM 2157 O LYS B 61 23.107 17.119 -3.129 1.00 0.00 O ATOM 2158 CB LYS B 61 20.786 15.705 -2.181 1.00 0.00 C ATOM 2159 CG LYS B 61 20.920 15.212 -0.752 1.00 0.00 C ATOM 2160 CD LYS B 61 20.242 13.865 -0.567 1.00 0.00 C ATOM 2161 CE LYS B 61 20.429 13.324 0.843 1.00 0.00 C ATOM 2162 NZ LYS B 61 21.864 13.130 1.176 1.00 0.00 N ATOM 0 H LYS B 61 19.934 16.968 -4.175 1.00 0.00 H new ATOM 0 HA LYS B 61 20.450 17.656 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS B 61 19.842 15.349 -2.592 1.00 0.00 H new ATOM 0 HB3 LYS B 61 21.582 15.267 -2.784 1.00 0.00 H new ATOM 0 HG2 LYS B 61 21.975 15.129 -0.491 1.00 0.00 H new ATOM 0 HG3 LYS B 61 20.479 15.940 -0.071 1.00 0.00 H new ATOM 0 HD2 LYS B 61 19.177 13.962 -0.780 1.00 0.00 H new ATOM 0 HD3 LYS B 61 20.647 13.153 -1.286 1.00 0.00 H new ATOM 0 HE2 LYS B 61 19.980 14.013 1.559 1.00 0.00 H new ATOM 0 HE3 LYS B 61 19.902 12.375 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 21.950 12.454 1.961 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 22.367 12.760 0.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 22.282 14.040 1.456 1.00 0.00 H new ATOM 2176 N ASN B 62 22.514 18.888 -1.857 1.00 0.00 N ATOM 2177 CA ASN B 62 23.795 19.577 -1.946 1.00 0.00 C ATOM 2178 C ASN B 62 24.890 18.768 -1.268 1.00 0.00 C ATOM 2179 O ASN B 62 24.762 18.387 -0.100 1.00 0.00 O ATOM 2180 CB ASN B 62 23.669 20.959 -1.287 1.00 0.00 C ATOM 2181 CG ASN B 62 24.818 21.901 -1.607 1.00 0.00 C ATOM 2182 OD1 ASN B 62 25.964 21.490 -1.778 1.00 0.00 O ATOM 2183 ND2 ASN B 62 24.506 23.185 -1.698 1.00 0.00 N ATOM 0 H ASN B 62 21.825 19.374 -1.284 1.00 0.00 H new ATOM 0 HA ASN B 62 24.065 19.695 -2.995 1.00 0.00 H new ATOM 0 HB2 ASN B 62 22.735 21.420 -1.607 1.00 0.00 H new ATOM 0 HB3 ASN B 62 23.607 20.831 -0.206 1.00 0.00 H new ATOM 0 HD21 ASN B 62 25.228 23.871 -1.917 1.00 0.00 H new ATOM 0 HD22 ASN B 62 23.543 23.488 -1.549 1.00 0.00 H new ATOM 2190 N ALA B 63 25.965 18.510 -1.998 1.00 0.00 N ATOM 2191 CA ALA B 63 27.087 17.757 -1.460 1.00 0.00 C ATOM 2192 C ALA B 63 28.015 18.670 -0.676 1.00 0.00 C ATOM 2193 O ALA B 63 29.155 18.915 -1.077 1.00 0.00 O ATOM 2194 CB ALA B 63 27.848 17.049 -2.565 1.00 0.00 C ATOM 0 H ALA B 63 26.084 18.811 -2.965 1.00 0.00 H new ATOM 0 HA ALA B 63 26.691 17.000 -0.783 1.00 0.00 H new ATOM 0 HB1 ALA B 63 28.681 16.494 -2.135 1.00 0.00 H new ATOM 0 HB2 ALA B 63 27.181 16.359 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA B 63 28.229 17.785 -3.273 1.00 0.00 H new ATOM 2200 N GLN B 64 27.495 19.214 0.414 1.00 0.00 N ATOM 2201 CA GLN B 64 28.286 20.034 1.316 1.00 0.00 C ATOM 2202 C GLN B 64 29.173 19.138 2.166 1.00 0.00 C ATOM 2203 O GLN B 64 30.393 19.289 2.187 1.00 0.00 O ATOM 2204 CB GLN B 64 27.363 20.865 2.209 1.00 0.00 C ATOM 2205 CG GLN B 64 28.099 21.765 3.188 1.00 0.00 C ATOM 2206 CD GLN B 64 27.154 22.489 4.123 1.00 0.00 C ATOM 2207 OE1 GLN B 64 26.836 21.994 5.206 1.00 0.00 O ATOM 2208 NE2 GLN B 64 26.706 23.664 3.715 1.00 0.00 N ATOM 0 H GLN B 64 26.521 19.100 0.696 1.00 0.00 H new ATOM 0 HA GLN B 64 28.913 20.712 0.736 1.00 0.00 H new ATOM 0 HB2 GLN B 64 26.720 21.479 1.578 1.00 0.00 H new ATOM 0 HB3 GLN B 64 26.712 20.192 2.768 1.00 0.00 H new ATOM 0 HG2 GLN B 64 28.798 21.167 3.773 1.00 0.00 H new ATOM 0 HG3 GLN B 64 28.689 22.495 2.634 1.00 0.00 H new ATOM 0 HE21 GLN B 64 26.997 24.034 2.810 1.00 0.00 H new ATOM 0 HE22 GLN B 64 26.070 24.200 4.305 1.00 0.00 H new ATOM 2217 N LEU B 65 28.525 18.206 2.859 1.00 0.00 N ATOM 2218 CA LEU B 65 29.199 17.180 3.647 1.00 0.00 C ATOM 2219 C LEU B 65 30.212 17.776 4.622 1.00 0.00 C ATOM 2220 O LEU B 65 31.425 17.625 4.451 1.00 0.00 O ATOM 2221 CB LEU B 65 29.889 16.165 2.730 1.00 0.00 C ATOM 2222 CG LEU B 65 30.383 14.901 3.433 1.00 0.00 C ATOM 2223 CD1 LEU B 65 29.204 14.110 3.976 1.00 0.00 C ATOM 2224 CD2 LEU B 65 31.217 14.048 2.491 1.00 0.00 C ATOM 0 H LEU B 65 27.507 18.142 2.889 1.00 0.00 H new ATOM 0 HA LEU B 65 28.433 16.674 4.235 1.00 0.00 H new ATOM 0 HB2 LEU B 65 29.194 15.877 1.941 1.00 0.00 H new ATOM 0 HB3 LEU B 65 30.737 16.650 2.247 1.00 0.00 H new ATOM 0 HG LEU B 65 31.019 15.195 4.268 1.00 0.00 H new ATOM 0 HD11 LEU B 65 29.567 13.212 4.475 1.00 0.00 H new ATOM 0 HD12 LEU B 65 28.652 14.723 4.689 1.00 0.00 H new ATOM 0 HD13 LEU B 65 28.546 13.828 3.154 1.00 0.00 H new ATOM 0 HD21 LEU B 65 31.557 13.154 3.014 1.00 0.00 H new ATOM 0 HD22 LEU B 65 30.613 13.758 1.632 1.00 0.00 H new ATOM 0 HD23 LEU B 65 32.080 14.620 2.151 1.00 0.00 H new