USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=13 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 25 TYR OH : rot 150:sc= 0.18 USER MOD Set 1.2: B 47 ASN :FLIP amide:sc= 0.0588 F(o=-0.47,f=0.24) USER MOD Set 2.1: A 51 TYR OH : rot 30:sc= -0.0711 USER MOD Set 2.2: A 55 GLN : amide:sc= 1.1 K(o=1,f=-1.3) USER MOD Single : A 21 GLN : amide:sc= -0.437 K(o=-0.44,f=-1.8) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -52:sc= 0.609 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN :FLIP amide:sc= -0.708 F(o=-1.3!,f=-0.71) USER MOD Single : A 61 LYS NZ :NH3+ 155:sc= 1.24 (180deg=1.04) USER MOD Single : A 62 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.016) USER MOD Single : B 21 GLN : amide:sc= -2.84 K(o=-2.8,f=-4.5!) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.538 USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 TYR OH : rot -127:sc= 1.31 USER MOD Single : B 55 GLN : amide:sc= -2.45! C(o=-2.5!,f=-5.2!) USER MOD Single : B 61 LYS NZ :NH3+ 172:sc= 0.956 (180deg=0.567) USER MOD Single : B 62 ASN : amide:sc= 0.15 X(o=0.15,f=-0.051) USER MOD Single : B 64 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD ----------------------------------------------------------------- ATOM 297 N ASP A 19 26.103 5.588 4.616 1.00 0.00 N ATOM 298 CA ASP A 19 26.371 6.947 4.151 1.00 0.00 C ATOM 299 C ASP A 19 26.782 6.893 2.681 1.00 0.00 C ATOM 300 O ASP A 19 27.378 7.821 2.135 1.00 0.00 O ATOM 301 CB ASP A 19 27.474 7.581 5.016 1.00 0.00 C ATOM 302 CG ASP A 19 27.718 9.050 4.708 1.00 0.00 C ATOM 303 OD1 ASP A 19 26.749 9.841 4.740 1.00 0.00 O ATOM 304 OD2 ASP A 19 28.883 9.417 4.439 1.00 0.00 O ATOM 0 HA ASP A 19 25.477 7.564 4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 19 27.204 7.478 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 19 28.402 7.028 4.870 1.00 0.00 H new ATOM 309 N VAL A 20 26.441 5.779 2.048 1.00 0.00 N ATOM 310 CA VAL A 20 26.781 5.542 0.652 1.00 0.00 C ATOM 311 C VAL A 20 25.516 5.262 -0.154 1.00 0.00 C ATOM 312 O VAL A 20 24.766 4.330 0.154 1.00 0.00 O ATOM 313 CB VAL A 20 27.747 4.345 0.501 1.00 0.00 C ATOM 314 CG1 VAL A 20 28.196 4.190 -0.944 1.00 0.00 C ATOM 315 CG2 VAL A 20 28.948 4.492 1.424 1.00 0.00 C ATOM 0 H VAL A 20 25.923 5.017 2.486 1.00 0.00 H new ATOM 0 HA VAL A 20 27.274 6.439 0.277 1.00 0.00 H new ATOM 0 HB VAL A 20 27.208 3.443 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 20 28.875 3.341 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 20 27.326 4.021 -1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 20 28.709 5.097 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.611 3.636 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.486 5.408 1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.608 4.538 2.459 1.00 0.00 H new ATOM 325 N GLN A 21 25.272 6.074 -1.172 1.00 0.00 N ATOM 326 CA GLN A 21 24.110 5.898 -2.028 1.00 0.00 C ATOM 327 C GLN A 21 24.565 5.539 -3.432 1.00 0.00 C ATOM 328 O GLN A 21 25.759 5.563 -3.727 1.00 0.00 O ATOM 329 CB GLN A 21 23.255 7.181 -2.107 1.00 0.00 C ATOM 330 CG GLN A 21 23.055 7.919 -0.790 1.00 0.00 C ATOM 331 CD GLN A 21 24.202 8.861 -0.467 1.00 0.00 C ATOM 332 OE1 GLN A 21 25.140 8.502 0.240 1.00 0.00 O ATOM 333 NE2 GLN A 21 24.146 10.066 -1.011 1.00 0.00 N ATOM 0 H GLN A 21 25.866 6.864 -1.425 1.00 0.00 H new ATOM 0 HA GLN A 21 23.503 5.101 -1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 21 23.720 7.863 -2.818 1.00 0.00 H new ATOM 0 HB3 GLN A 21 22.276 6.920 -2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 21 22.125 8.486 -0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 21 22.948 7.193 0.016 1.00 0.00 H new ATOM 0 HE21 GLN A 21 23.350 10.327 -1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 21 24.899 10.734 -0.849 1.00 0.00 H new ATOM 342 N ILE A 22 23.620 5.183 -4.286 1.00 0.00 N ATOM 343 CA ILE A 22 23.876 5.090 -5.714 1.00 0.00 C ATOM 344 C ILE A 22 22.717 5.720 -6.470 1.00 0.00 C ATOM 345 O ILE A 22 21.555 5.557 -6.091 1.00 0.00 O ATOM 346 CB ILE A 22 24.080 3.639 -6.210 1.00 0.00 C ATOM 347 CG1 ILE A 22 25.250 2.967 -5.495 1.00 0.00 C ATOM 348 CG2 ILE A 22 24.338 3.636 -7.706 1.00 0.00 C ATOM 349 CD1 ILE A 22 25.614 1.627 -6.092 1.00 0.00 C ATOM 0 H ILE A 22 22.664 4.953 -4.014 1.00 0.00 H new ATOM 0 HA ILE A 22 24.808 5.621 -5.904 1.00 0.00 H new ATOM 0 HB ILE A 22 23.172 3.079 -5.988 1.00 0.00 H new ATOM 0 HG12 ILE A 22 26.119 3.624 -5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.998 2.834 -4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 22 24.481 2.611 -8.049 1.00 0.00 H new ATOM 0 HG22 ILE A 22 23.485 4.076 -8.223 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.233 4.219 -7.922 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.452 1.199 -5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.757 0.956 -6.029 1.00 0.00 H new ATOM 0 HD13 ILE A 22 25.896 1.759 -7.137 1.00 0.00 H new ATOM 361 N ASP A 23 23.035 6.454 -7.521 1.00 0.00 N ATOM 362 CA ASP A 23 22.033 7.160 -8.287 1.00 0.00 C ATOM 363 C ASP A 23 21.476 6.268 -9.401 1.00 0.00 C ATOM 364 O ASP A 23 21.701 5.055 -9.415 1.00 0.00 O ATOM 365 CB ASP A 23 22.648 8.430 -8.870 1.00 0.00 C ATOM 366 CG ASP A 23 23.411 8.178 -10.152 1.00 0.00 C ATOM 367 OD1 ASP A 23 24.376 7.386 -10.131 1.00 0.00 O ATOM 368 OD2 ASP A 23 23.019 8.753 -11.190 1.00 0.00 O ATOM 0 H ASP A 23 23.988 6.575 -7.863 1.00 0.00 H new ATOM 0 HA ASP A 23 21.205 7.430 -7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.858 9.157 -9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.319 8.874 -8.135 1.00 0.00 H new ATOM 373 N PHE A 24 20.754 6.881 -10.329 1.00 0.00 N ATOM 374 CA PHE A 24 20.121 6.169 -11.429 1.00 0.00 C ATOM 375 C PHE A 24 21.159 5.663 -12.435 1.00 0.00 C ATOM 376 O PHE A 24 20.886 4.754 -13.220 1.00 0.00 O ATOM 377 CB PHE A 24 19.113 7.096 -12.118 1.00 0.00 C ATOM 378 CG PHE A 24 18.297 6.431 -13.189 1.00 0.00 C ATOM 379 CD1 PHE A 24 17.298 5.530 -12.858 1.00 0.00 C ATOM 380 CD2 PHE A 24 18.529 6.709 -14.524 1.00 0.00 C ATOM 381 CE1 PHE A 24 16.546 4.917 -13.843 1.00 0.00 C ATOM 382 CE2 PHE A 24 17.781 6.100 -15.513 1.00 0.00 C ATOM 383 CZ PHE A 24 16.788 5.203 -15.172 1.00 0.00 C ATOM 0 H PHE A 24 20.591 7.888 -10.340 1.00 0.00 H new ATOM 0 HA PHE A 24 19.602 5.298 -11.029 1.00 0.00 H new ATOM 0 HB2 PHE A 24 18.439 7.505 -11.365 1.00 0.00 H new ATOM 0 HB3 PHE A 24 19.650 7.937 -12.556 1.00 0.00 H new ATOM 0 HD1 PHE A 24 17.105 5.304 -11.820 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.304 7.410 -14.796 1.00 0.00 H new ATOM 0 HE1 PHE A 24 15.770 4.215 -13.573 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.973 6.325 -16.552 1.00 0.00 H new ATOM 0 HZ PHE A 24 16.202 4.726 -15.943 1.00 0.00 H new ATOM 393 N TYR A 25 22.349 6.253 -12.412 1.00 0.00 N ATOM 394 CA TYR A 25 23.409 5.852 -13.325 1.00 0.00 C ATOM 395 C TYR A 25 24.011 4.514 -12.894 1.00 0.00 C ATOM 396 O TYR A 25 24.448 3.723 -13.729 1.00 0.00 O ATOM 397 CB TYR A 25 24.492 6.931 -13.398 1.00 0.00 C ATOM 398 CG TYR A 25 25.408 6.792 -14.592 1.00 0.00 C ATOM 399 CD1 TYR A 25 25.002 7.227 -15.847 1.00 0.00 C ATOM 400 CD2 TYR A 25 26.672 6.231 -14.468 1.00 0.00 C ATOM 401 CE1 TYR A 25 25.828 7.104 -16.946 1.00 0.00 C ATOM 402 CE2 TYR A 25 27.505 6.104 -15.564 1.00 0.00 C ATOM 403 CZ TYR A 25 27.078 6.543 -16.801 1.00 0.00 C ATOM 404 OH TYR A 25 27.901 6.418 -17.897 1.00 0.00 O ATOM 0 H TYR A 25 22.602 7.007 -11.773 1.00 0.00 H new ATOM 0 HA TYR A 25 22.979 5.730 -14.319 1.00 0.00 H new ATOM 0 HB2 TYR A 25 24.015 7.911 -13.429 1.00 0.00 H new ATOM 0 HB3 TYR A 25 25.089 6.896 -12.487 1.00 0.00 H new ATOM 0 HD1 TYR A 25 24.024 7.669 -15.965 1.00 0.00 H new ATOM 0 HD2 TYR A 25 27.010 5.889 -13.501 1.00 0.00 H new ATOM 0 HE1 TYR A 25 25.496 7.446 -17.915 1.00 0.00 H new ATOM 0 HE2 TYR A 25 28.485 5.664 -15.453 1.00 0.00 H new ATOM 0 HH TYR A 25 28.747 6.004 -17.625 1.00 0.00 H new ATOM 414 N GLY A 26 24.040 4.266 -11.588 1.00 0.00 N ATOM 415 CA GLY A 26 24.479 2.978 -11.098 1.00 0.00 C ATOM 416 C GLY A 26 25.969 2.917 -10.837 1.00 0.00 C ATOM 417 O GLY A 26 26.566 1.841 -10.889 1.00 0.00 O ATOM 0 H GLY A 26 23.768 4.933 -10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.945 2.746 -10.177 1.00 0.00 H new ATOM 0 HA3 GLY A 26 24.212 2.210 -11.824 1.00 0.00 H new ATOM 421 N ASP A 27 26.576 4.065 -10.569 1.00 0.00 N ATOM 422 CA ASP A 27 27.984 4.102 -10.201 1.00 0.00 C ATOM 423 C ASP A 27 28.115 4.142 -8.681 1.00 0.00 C ATOM 424 O ASP A 27 28.246 3.098 -8.036 1.00 0.00 O ATOM 425 CB ASP A 27 28.686 5.306 -10.834 1.00 0.00 C ATOM 426 CG ASP A 27 30.190 5.273 -10.626 1.00 0.00 C ATOM 427 OD1 ASP A 27 30.664 5.762 -9.582 1.00 0.00 O ATOM 428 OD2 ASP A 27 30.905 4.756 -11.507 1.00 0.00 O ATOM 0 H ASP A 27 26.119 4.977 -10.599 1.00 0.00 H new ATOM 0 HA ASP A 27 28.468 3.201 -10.578 1.00 0.00 H new ATOM 0 HB2 ASP A 27 28.470 5.329 -11.902 1.00 0.00 H new ATOM 0 HB3 ASP A 27 28.283 6.224 -10.407 1.00 0.00 H new ATOM 433 N GLU A 28 28.047 5.343 -8.114 1.00 0.00 N ATOM 434 CA GLU A 28 28.034 5.520 -6.669 1.00 0.00 C ATOM 435 C GLU A 28 27.871 6.998 -6.339 1.00 0.00 C ATOM 436 O GLU A 28 28.280 7.861 -7.112 1.00 0.00 O ATOM 437 CB GLU A 28 29.317 4.982 -6.029 1.00 0.00 C ATOM 438 CG GLU A 28 29.134 4.581 -4.577 1.00 0.00 C ATOM 439 CD GLU A 28 30.416 4.097 -3.937 1.00 0.00 C ATOM 440 OE1 GLU A 28 30.718 2.885 -4.036 1.00 0.00 O ATOM 441 OE2 GLU A 28 31.132 4.918 -3.332 1.00 0.00 O ATOM 0 H GLU A 28 28.000 6.215 -8.641 1.00 0.00 H new ATOM 0 HA GLU A 28 27.195 4.956 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 28 29.665 4.119 -6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 28 30.095 5.742 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 28 28.752 5.433 -4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.382 3.794 -4.514 1.00 0.00 H new ATOM 448 N VAL A 29 27.261 7.279 -5.199 1.00 0.00 N ATOM 449 CA VAL A 29 27.019 8.647 -4.772 1.00 0.00 C ATOM 450 C VAL A 29 27.471 8.840 -3.334 1.00 0.00 C ATOM 451 O VAL A 29 26.954 8.196 -2.418 1.00 0.00 O ATOM 452 CB VAL A 29 25.528 9.028 -4.888 1.00 0.00 C ATOM 453 CG1 VAL A 29 25.303 10.466 -4.455 1.00 0.00 C ATOM 454 CG2 VAL A 29 25.024 8.821 -6.306 1.00 0.00 C ATOM 0 H VAL A 29 26.922 6.571 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 29 27.594 9.296 -5.433 1.00 0.00 H new ATOM 0 HB VAL A 29 24.964 8.374 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 29 24.245 10.712 -4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 29 25.616 10.587 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 29 25.886 11.133 -5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 29 23.971 9.096 -6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 29 25.599 9.444 -6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 29 25.140 7.774 -6.584 1.00 0.00 H new ATOM 464 N THR A 30 28.446 9.711 -3.148 1.00 0.00 N ATOM 465 CA THR A 30 28.944 10.034 -1.821 1.00 0.00 C ATOM 466 C THR A 30 28.672 11.508 -1.508 1.00 0.00 C ATOM 467 O THR A 30 28.299 12.266 -2.402 1.00 0.00 O ATOM 468 CB THR A 30 30.455 9.727 -1.706 1.00 0.00 C ATOM 469 OG1 THR A 30 31.187 10.407 -2.735 1.00 0.00 O ATOM 470 CG2 THR A 30 30.712 8.231 -1.807 1.00 0.00 C ATOM 0 H THR A 30 28.912 10.211 -3.905 1.00 0.00 H new ATOM 0 HA THR A 30 28.420 9.413 -1.094 1.00 0.00 H new ATOM 0 HB THR A 30 30.793 10.080 -0.732 1.00 0.00 H new ATOM 0 HG1 THR A 30 30.791 10.202 -3.608 1.00 0.00 H new ATOM 0 HG21 THR A 30 31.782 8.039 -1.723 1.00 0.00 H new ATOM 0 HG22 THR A 30 30.187 7.716 -1.002 1.00 0.00 H new ATOM 0 HG23 THR A 30 30.352 7.864 -2.768 1.00 0.00 H new ATOM 478 N PRO A 31 28.845 11.939 -0.242 1.00 0.00 N ATOM 479 CA PRO A 31 28.590 13.334 0.168 1.00 0.00 C ATOM 480 C PRO A 31 29.574 14.343 -0.431 1.00 0.00 C ATOM 481 O PRO A 31 29.604 15.506 -0.030 1.00 0.00 O ATOM 482 CB PRO A 31 28.729 13.291 1.694 1.00 0.00 C ATOM 483 CG PRO A 31 29.596 12.112 1.966 1.00 0.00 C ATOM 484 CD PRO A 31 29.264 11.105 0.901 1.00 0.00 C ATOM 0 HA PRO A 31 27.615 13.672 -0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 31 29.178 14.208 2.076 1.00 0.00 H new ATOM 0 HB3 PRO A 31 27.757 13.187 2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 31 30.651 12.386 1.930 1.00 0.00 H new ATOM 0 HG3 PRO A 31 29.405 11.707 2.960 1.00 0.00 H new ATOM 0 HD2 PRO A 31 30.126 10.486 0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 31 28.468 10.431 1.219 1.00 0.00 H new ATOM 492 N VAL A 32 30.388 13.898 -1.380 1.00 0.00 N ATOM 493 CA VAL A 32 31.264 14.800 -2.115 1.00 0.00 C ATOM 494 C VAL A 32 30.844 14.856 -3.581 1.00 0.00 C ATOM 495 O VAL A 32 31.514 15.470 -4.414 1.00 0.00 O ATOM 496 CB VAL A 32 32.751 14.394 -2.007 1.00 0.00 C ATOM 497 CG1 VAL A 32 33.220 14.471 -0.561 1.00 0.00 C ATOM 498 CG2 VAL A 32 32.983 13.004 -2.578 1.00 0.00 C ATOM 0 H VAL A 32 30.459 12.919 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 32 31.164 15.787 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 32 33.338 15.097 -2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 32 34.269 14.182 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 32 33.104 15.491 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 32 32.623 13.795 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 32 34.038 12.745 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 32 32.384 12.279 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 32 32.694 12.989 -3.629 1.00 0.00 H new ATOM 508 N ASP A 33 29.718 14.217 -3.883 1.00 0.00 N ATOM 509 CA ASP A 33 29.169 14.207 -5.233 1.00 0.00 C ATOM 510 C ASP A 33 27.898 15.042 -5.284 1.00 0.00 C ATOM 511 O ASP A 33 27.155 15.109 -4.307 1.00 0.00 O ATOM 512 CB ASP A 33 28.856 12.777 -5.697 1.00 0.00 C ATOM 513 CG ASP A 33 30.084 11.892 -5.767 1.00 0.00 C ATOM 514 OD1 ASP A 33 31.016 12.223 -6.530 1.00 0.00 O ATOM 515 OD2 ASP A 33 30.125 10.865 -5.052 1.00 0.00 O ATOM 0 H ASP A 33 29.164 13.695 -3.204 1.00 0.00 H new ATOM 0 HA ASP A 33 29.918 14.632 -5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 33 28.132 12.331 -5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 33 28.387 12.815 -6.680 1.00 0.00 H new ATOM 520 N ASP A 34 27.657 15.682 -6.418 1.00 0.00 N ATOM 521 CA ASP A 34 26.455 16.489 -6.597 1.00 0.00 C ATOM 522 C ASP A 34 25.362 15.647 -7.233 1.00 0.00 C ATOM 523 O ASP A 34 25.556 15.068 -8.308 1.00 0.00 O ATOM 524 CB ASP A 34 26.735 17.716 -7.472 1.00 0.00 C ATOM 525 CG ASP A 34 27.797 18.627 -6.893 1.00 0.00 C ATOM 526 OD1 ASP A 34 28.998 18.368 -7.132 1.00 0.00 O ATOM 527 OD2 ASP A 34 27.443 19.615 -6.213 1.00 0.00 O ATOM 0 H ASP A 34 28.276 15.660 -7.229 1.00 0.00 H new ATOM 0 HA ASP A 34 26.130 16.836 -5.616 1.00 0.00 H new ATOM 0 HB2 ASP A 34 27.049 17.385 -8.462 1.00 0.00 H new ATOM 0 HB3 ASP A 34 25.812 18.281 -7.602 1.00 0.00 H new ATOM 532 N TYR A 35 24.218 15.576 -6.577 1.00 0.00 N ATOM 533 CA TYR A 35 23.114 14.770 -7.066 1.00 0.00 C ATOM 534 C TYR A 35 21.781 15.404 -6.701 1.00 0.00 C ATOM 535 O TYR A 35 21.709 16.286 -5.848 1.00 0.00 O ATOM 536 CB TYR A 35 23.193 13.345 -6.501 1.00 0.00 C ATOM 537 CG TYR A 35 22.908 13.248 -5.017 1.00 0.00 C ATOM 538 CD1 TYR A 35 23.886 13.544 -4.077 1.00 0.00 C ATOM 539 CD2 TYR A 35 21.657 12.851 -4.558 1.00 0.00 C ATOM 540 CE1 TYR A 35 23.626 13.450 -2.724 1.00 0.00 C ATOM 541 CE2 TYR A 35 21.389 12.755 -3.208 1.00 0.00 C ATOM 542 CZ TYR A 35 22.377 13.055 -2.296 1.00 0.00 C ATOM 543 OH TYR A 35 22.112 12.963 -0.949 1.00 0.00 O ATOM 0 H TYR A 35 24.029 16.067 -5.703 1.00 0.00 H new ATOM 0 HA TYR A 35 23.188 14.720 -8.152 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.484 12.714 -7.037 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.188 12.944 -6.695 1.00 0.00 H new ATOM 0 HD1 TYR A 35 24.866 13.853 -4.409 1.00 0.00 H new ATOM 0 HD2 TYR A 35 20.881 12.614 -5.271 1.00 0.00 H new ATOM 0 HE1 TYR A 35 24.397 13.685 -2.005 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.411 12.447 -2.868 1.00 0.00 H new ATOM 0 HH TYR A 35 21.185 12.672 -0.817 1.00 0.00 H new ATOM 553 N VAL A 36 20.729 14.959 -7.355 1.00 0.00 N ATOM 554 CA VAL A 36 19.394 15.449 -7.080 1.00 0.00 C ATOM 555 C VAL A 36 18.427 14.277 -7.040 1.00 0.00 C ATOM 556 O VAL A 36 18.520 13.360 -7.854 1.00 0.00 O ATOM 557 CB VAL A 36 18.932 16.469 -8.145 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.543 17.006 -7.833 1.00 0.00 C ATOM 559 CG2 VAL A 36 19.928 17.611 -8.266 1.00 0.00 C ATOM 0 H VAL A 36 20.774 14.251 -8.088 1.00 0.00 H new ATOM 0 HA VAL A 36 19.409 15.957 -6.116 1.00 0.00 H new ATOM 0 HB VAL A 36 18.884 15.948 -9.101 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.248 17.721 -8.601 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.830 16.181 -7.812 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.554 17.501 -6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.582 18.317 -9.021 1.00 0.00 H new ATOM 0 HG22 VAL A 36 20.016 18.121 -7.306 1.00 0.00 H new ATOM 0 HG23 VAL A 36 20.901 17.216 -8.557 1.00 0.00 H new ATOM 569 N ILE A 37 17.526 14.293 -6.077 1.00 0.00 N ATOM 570 CA ILE A 37 16.546 13.233 -5.940 1.00 0.00 C ATOM 571 C ILE A 37 15.215 13.664 -6.536 1.00 0.00 C ATOM 572 O ILE A 37 14.641 14.672 -6.123 1.00 0.00 O ATOM 573 CB ILE A 37 16.350 12.836 -4.463 1.00 0.00 C ATOM 574 CG1 ILE A 37 17.659 12.290 -3.888 1.00 0.00 C ATOM 575 CG2 ILE A 37 15.237 11.808 -4.324 1.00 0.00 C ATOM 576 CD1 ILE A 37 17.531 11.785 -2.470 1.00 0.00 C ATOM 0 H ILE A 37 17.452 15.030 -5.376 1.00 0.00 H new ATOM 0 HA ILE A 37 16.921 12.364 -6.481 1.00 0.00 H new ATOM 0 HB ILE A 37 16.062 13.724 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 37 18.015 11.479 -4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 37 18.415 13.074 -3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.116 11.542 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.305 12.228 -4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.492 10.916 -4.897 1.00 0.00 H new ATOM 0 HD11 ILE A 37 18.497 11.413 -2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 37 17.205 12.599 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 37 16.799 10.978 -2.436 1.00 0.00 H new ATOM 588 N ASP A 38 14.733 12.899 -7.509 1.00 0.00 N ATOM 589 CA ASP A 38 13.456 13.202 -8.149 1.00 0.00 C ATOM 590 C ASP A 38 12.345 12.462 -7.426 1.00 0.00 C ATOM 591 O ASP A 38 12.015 11.322 -7.759 1.00 0.00 O ATOM 592 CB ASP A 38 13.469 12.826 -9.639 1.00 0.00 C ATOM 593 CG ASP A 38 12.195 13.241 -10.367 1.00 0.00 C ATOM 594 OD1 ASP A 38 12.026 14.444 -10.628 1.00 0.00 O ATOM 595 OD2 ASP A 38 11.370 12.359 -10.699 1.00 0.00 O ATOM 0 H ASP A 38 15.203 12.069 -7.871 1.00 0.00 H new ATOM 0 HA ASP A 38 13.283 14.276 -8.086 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.326 13.297 -10.120 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.602 11.748 -9.735 1.00 0.00 H new ATOM 600 N GLY A 39 11.830 13.085 -6.377 1.00 0.00 N ATOM 601 CA GLY A 39 10.748 12.497 -5.610 1.00 0.00 C ATOM 602 C GLY A 39 11.197 11.398 -4.660 1.00 0.00 C ATOM 603 O GLY A 39 10.682 11.283 -3.553 1.00 0.00 O ATOM 0 H GLY A 39 12.144 13.995 -6.040 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.254 13.281 -5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.007 12.090 -6.298 1.00 0.00 H new ATOM 607 N GLY A 40 12.171 10.608 -5.068 1.00 0.00 N ATOM 608 CA GLY A 40 12.584 9.471 -4.274 1.00 0.00 C ATOM 609 C GLY A 40 13.732 8.732 -4.916 1.00 0.00 C ATOM 610 O GLY A 40 14.543 8.112 -4.229 1.00 0.00 O ATOM 0 H GLY A 40 12.687 10.732 -5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.878 9.808 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.741 8.792 -4.144 1.00 0.00 H new ATOM 614 N GLU A 41 13.795 8.804 -6.237 1.00 0.00 N ATOM 615 CA GLU A 41 14.892 8.218 -6.984 1.00 0.00 C ATOM 616 C GLU A 41 16.073 9.177 -7.018 1.00 0.00 C ATOM 617 O GLU A 41 15.906 10.377 -7.233 1.00 0.00 O ATOM 618 CB GLU A 41 14.440 7.872 -8.403 1.00 0.00 C ATOM 619 CG GLU A 41 13.342 6.820 -8.445 1.00 0.00 C ATOM 620 CD GLU A 41 13.818 5.468 -7.954 1.00 0.00 C ATOM 621 OE1 GLU A 41 13.806 5.229 -6.730 1.00 0.00 O ATOM 622 OE2 GLU A 41 14.211 4.634 -8.797 1.00 0.00 O ATOM 0 H GLU A 41 13.093 9.266 -6.815 1.00 0.00 H new ATOM 0 HA GLU A 41 15.206 7.299 -6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.085 8.778 -8.895 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.298 7.515 -8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.502 7.151 -7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.974 6.724 -9.466 1.00 0.00 H new ATOM 629 N ILE A 42 17.256 8.643 -6.783 1.00 0.00 N ATOM 630 CA ILE A 42 18.476 9.434 -6.752 1.00 0.00 C ATOM 631 C ILE A 42 19.105 9.472 -8.133 1.00 0.00 C ATOM 632 O ILE A 42 19.208 8.445 -8.795 1.00 0.00 O ATOM 633 CB ILE A 42 19.495 8.841 -5.751 1.00 0.00 C ATOM 634 CG1 ILE A 42 18.865 8.718 -4.363 1.00 0.00 C ATOM 635 CG2 ILE A 42 20.755 9.697 -5.693 1.00 0.00 C ATOM 636 CD1 ILE A 42 19.760 8.053 -3.339 1.00 0.00 C ATOM 0 H ILE A 42 17.401 7.649 -6.608 1.00 0.00 H new ATOM 0 HA ILE A 42 18.214 10.443 -6.434 1.00 0.00 H new ATOM 0 HB ILE A 42 19.776 7.846 -6.095 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.599 9.713 -4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.938 8.150 -4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 42 21.458 9.262 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.214 9.736 -6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 42 20.495 10.706 -5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.242 8.003 -2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 42 20.006 7.045 -3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 42 20.677 8.632 -3.226 1.00 0.00 H new ATOM 648 N ILE A 43 19.496 10.654 -8.582 1.00 0.00 N ATOM 649 CA ILE A 43 20.198 10.792 -9.848 1.00 0.00 C ATOM 650 C ILE A 43 21.353 11.769 -9.682 1.00 0.00 C ATOM 651 O ILE A 43 21.184 12.817 -9.059 1.00 0.00 O ATOM 652 CB ILE A 43 19.287 11.306 -10.993 1.00 0.00 C ATOM 653 CG1 ILE A 43 17.892 10.678 -10.944 1.00 0.00 C ATOM 654 CG2 ILE A 43 19.929 11.010 -12.335 1.00 0.00 C ATOM 655 CD1 ILE A 43 16.913 11.443 -10.084 1.00 0.00 C ATOM 0 H ILE A 43 19.339 11.532 -8.088 1.00 0.00 H new ATOM 0 HA ILE A 43 20.550 9.797 -10.121 1.00 0.00 H new ATOM 0 HB ILE A 43 19.173 12.382 -10.862 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.497 10.611 -11.958 1.00 0.00 H new ATOM 0 HG13 ILE A 43 17.975 9.659 -10.567 1.00 0.00 H new ATOM 0 HG21 ILE A 43 19.284 11.374 -13.135 1.00 0.00 H new ATOM 0 HG22 ILE A 43 20.896 11.509 -12.394 1.00 0.00 H new ATOM 0 HG23 ILE A 43 20.069 9.934 -12.442 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.946 10.939 -10.097 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.285 11.487 -9.061 1.00 0.00 H new ATOM 0 HD13 ILE A 43 16.800 12.455 -10.473 1.00 0.00 H new ATOM 667 N LEU A 44 22.533 11.423 -10.199 1.00 0.00 N ATOM 668 CA LEU A 44 23.644 12.375 -10.230 1.00 0.00 C ATOM 669 C LEU A 44 23.210 13.653 -10.918 1.00 0.00 C ATOM 670 O LEU A 44 22.350 13.630 -11.795 1.00 0.00 O ATOM 671 CB LEU A 44 24.862 11.811 -10.966 1.00 0.00 C ATOM 672 CG LEU A 44 25.628 10.730 -10.219 1.00 0.00 C ATOM 673 CD1 LEU A 44 26.788 10.215 -11.055 1.00 0.00 C ATOM 674 CD2 LEU A 44 26.123 11.254 -8.879 1.00 0.00 C ATOM 0 H LEU A 44 22.742 10.507 -10.596 1.00 0.00 H new ATOM 0 HA LEU A 44 23.927 12.573 -9.196 1.00 0.00 H new ATOM 0 HB2 LEU A 44 24.532 11.405 -11.922 1.00 0.00 H new ATOM 0 HB3 LEU A 44 25.545 12.631 -11.186 1.00 0.00 H new ATOM 0 HG LEU A 44 24.949 9.898 -10.033 1.00 0.00 H new ATOM 0 HD11 LEU A 44 27.321 9.443 -10.501 1.00 0.00 H new ATOM 0 HD12 LEU A 44 26.407 9.796 -11.986 1.00 0.00 H new ATOM 0 HD13 LEU A 44 27.468 11.037 -11.278 1.00 0.00 H new ATOM 0 HD21 LEU A 44 26.669 10.466 -8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 44 26.783 12.106 -9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 44 25.272 11.566 -8.274 1.00 0.00 H new ATOM 686 N ARG A 45 23.822 14.764 -10.544 1.00 0.00 N ATOM 687 CA ARG A 45 23.486 16.046 -11.141 1.00 0.00 C ATOM 688 C ARG A 45 23.892 16.069 -12.618 1.00 0.00 C ATOM 689 O ARG A 45 23.542 16.992 -13.353 1.00 0.00 O ATOM 690 CB ARG A 45 24.162 17.183 -10.370 1.00 0.00 C ATOM 691 CG ARG A 45 23.231 18.342 -10.034 1.00 0.00 C ATOM 692 CD ARG A 45 22.867 19.158 -11.266 1.00 0.00 C ATOM 693 NE ARG A 45 24.046 19.774 -11.869 1.00 0.00 N ATOM 694 CZ ARG A 45 24.024 20.909 -12.568 1.00 0.00 C ATOM 695 NH1 ARG A 45 22.877 21.533 -12.798 1.00 0.00 N ATOM 696 NH2 ARG A 45 25.157 21.417 -13.034 1.00 0.00 N ATOM 0 H ARG A 45 24.552 14.805 -9.832 1.00 0.00 H new ATOM 0 HA ARG A 45 22.407 16.189 -11.084 1.00 0.00 H new ATOM 0 HB2 ARG A 45 24.578 16.784 -9.445 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.998 17.561 -10.958 1.00 0.00 H new ATOM 0 HG2 ARG A 45 22.322 17.955 -9.574 1.00 0.00 H new ATOM 0 HG3 ARG A 45 23.709 18.989 -9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 45 22.377 18.515 -11.997 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.151 19.933 -10.992 1.00 0.00 H new ATOM 0 HE ARG A 45 24.944 19.306 -11.748 1.00 0.00 H new ATOM 0 HH11 ARG A 45 22.004 21.145 -12.439 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.867 22.401 -13.334 1.00 0.00 H new ATOM 0 HH21 ARG A 45 26.041 20.940 -12.857 1.00 0.00 H new ATOM 0 HH22 ARG A 45 25.145 22.285 -13.569 1.00 0.00 H new ATOM 710 N GLU A 46 24.607 15.035 -13.059 1.00 0.00 N ATOM 711 CA GLU A 46 24.978 14.925 -14.463 1.00 0.00 C ATOM 712 C GLU A 46 23.872 14.212 -15.233 1.00 0.00 C ATOM 713 O GLU A 46 23.455 14.651 -16.305 1.00 0.00 O ATOM 714 CB GLU A 46 26.293 14.160 -14.627 1.00 0.00 C ATOM 715 CG GLU A 46 26.757 14.074 -16.073 1.00 0.00 C ATOM 716 CD GLU A 46 27.879 13.081 -16.268 1.00 0.00 C ATOM 717 OE1 GLU A 46 27.595 11.870 -16.326 1.00 0.00 O ATOM 718 OE2 GLU A 46 29.048 13.508 -16.368 1.00 0.00 O ATOM 0 H GLU A 46 24.936 14.271 -12.469 1.00 0.00 H new ATOM 0 HA GLU A 46 25.114 15.931 -14.860 1.00 0.00 H new ATOM 0 HB2 GLU A 46 27.066 14.646 -14.032 1.00 0.00 H new ATOM 0 HB3 GLU A 46 26.172 13.152 -14.230 1.00 0.00 H new ATOM 0 HG2 GLU A 46 25.914 13.792 -16.704 1.00 0.00 H new ATOM 0 HG3 GLU A 46 27.088 15.059 -16.403 1.00 0.00 H new ATOM 725 N ASN A 47 23.385 13.120 -14.657 1.00 0.00 N ATOM 726 CA ASN A 47 22.361 12.294 -15.293 1.00 0.00 C ATOM 727 C ASN A 47 20.968 12.844 -14.980 1.00 0.00 C ATOM 728 O ASN A 47 19.956 12.361 -15.494 1.00 0.00 O ATOM 729 CB ASN A 47 22.499 10.845 -14.798 1.00 0.00 C ATOM 730 CG ASN A 47 21.601 9.858 -15.527 1.00 0.00 C ATOM 731 OD1 ASN A 47 21.226 8.786 -14.845 1.00 0.00 O flip ATOM 732 ND2 ASN A 47 21.264 10.044 -16.696 1.00 0.00 N flip ATOM 0 H ASN A 47 23.685 12.782 -13.742 1.00 0.00 H new ATOM 0 HA ASN A 47 22.496 12.314 -16.374 1.00 0.00 H new ATOM 0 HB2 ASN A 47 23.536 10.530 -14.911 1.00 0.00 H new ATOM 0 HB3 ASN A 47 22.270 10.812 -13.733 1.00 0.00 H new ATOM 0 HD21 ASN A 47 21.573 10.882 -17.189 1.00 0.00 H new ATOM 0 HD22 ASN A 47 20.676 9.360 -17.172 1.00 0.00 H new ATOM 739 N LEU A 48 20.941 13.870 -14.132 1.00 0.00 N ATOM 740 CA LEU A 48 19.699 14.502 -13.697 1.00 0.00 C ATOM 741 C LEU A 48 18.864 14.963 -14.880 1.00 0.00 C ATOM 742 O LEU A 48 17.678 14.646 -14.975 1.00 0.00 O ATOM 743 CB LEU A 48 20.007 15.702 -12.794 1.00 0.00 C ATOM 744 CG LEU A 48 18.779 16.482 -12.323 1.00 0.00 C ATOM 745 CD1 LEU A 48 17.942 15.637 -11.375 1.00 0.00 C ATOM 746 CD2 LEU A 48 19.197 17.787 -11.664 1.00 0.00 C ATOM 0 H LEU A 48 21.780 14.286 -13.728 1.00 0.00 H new ATOM 0 HA LEU A 48 19.127 13.758 -13.142 1.00 0.00 H new ATOM 0 HB2 LEU A 48 20.554 15.350 -11.919 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.668 16.382 -13.331 1.00 0.00 H new ATOM 0 HG LEU A 48 18.167 16.723 -13.192 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.072 16.208 -11.050 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.612 14.734 -11.888 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.541 15.363 -10.507 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.310 18.329 -11.335 1.00 0.00 H new ATOM 0 HD22 LEU A 48 19.832 17.573 -10.804 1.00 0.00 H new ATOM 0 HD23 LEU A 48 19.749 18.396 -12.380 1.00 0.00 H new ATOM 758 N GLU A 49 19.501 15.700 -15.782 1.00 0.00 N ATOM 759 CA GLU A 49 18.823 16.278 -16.935 1.00 0.00 C ATOM 760 C GLU A 49 18.052 15.217 -17.714 1.00 0.00 C ATOM 761 O GLU A 49 16.874 15.397 -18.020 1.00 0.00 O ATOM 762 CB GLU A 49 19.838 16.965 -17.847 1.00 0.00 C ATOM 763 CG GLU A 49 20.636 18.053 -17.150 1.00 0.00 C ATOM 764 CD GLU A 49 21.627 18.731 -18.069 1.00 0.00 C ATOM 765 OE1 GLU A 49 21.218 19.632 -18.832 1.00 0.00 O ATOM 766 OE2 GLU A 49 22.823 18.372 -18.030 1.00 0.00 O ATOM 0 H GLU A 49 20.497 15.913 -15.735 1.00 0.00 H new ATOM 0 HA GLU A 49 18.107 17.015 -16.572 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.525 16.217 -18.242 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.315 17.398 -18.699 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.951 18.799 -16.748 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.169 17.621 -16.303 1.00 0.00 H new ATOM 773 N ARG A 50 18.716 14.107 -18.012 1.00 0.00 N ATOM 774 CA ARG A 50 18.101 13.023 -18.768 1.00 0.00 C ATOM 775 C ARG A 50 16.868 12.487 -18.041 1.00 0.00 C ATOM 776 O ARG A 50 15.793 12.377 -18.623 1.00 0.00 O ATOM 777 CB ARG A 50 19.106 11.891 -18.976 1.00 0.00 C ATOM 778 CG ARG A 50 18.763 10.967 -20.130 1.00 0.00 C ATOM 779 CD ARG A 50 19.062 11.626 -21.467 1.00 0.00 C ATOM 780 NE ARG A 50 17.864 11.829 -22.285 1.00 0.00 N ATOM 781 CZ ARG A 50 17.841 11.648 -23.609 1.00 0.00 C ATOM 782 NH1 ARG A 50 18.937 11.256 -24.244 1.00 0.00 N ATOM 783 NH2 ARG A 50 16.728 11.851 -24.299 1.00 0.00 N ATOM 0 H ARG A 50 19.684 13.934 -17.741 1.00 0.00 H new ATOM 0 HA ARG A 50 17.793 13.416 -19.737 1.00 0.00 H new ATOM 0 HB2 ARG A 50 20.092 12.322 -19.149 1.00 0.00 H new ATOM 0 HB3 ARG A 50 19.171 11.303 -18.060 1.00 0.00 H new ATOM 0 HG2 ARG A 50 19.333 10.042 -20.041 1.00 0.00 H new ATOM 0 HG3 ARG A 50 17.708 10.697 -20.082 1.00 0.00 H new ATOM 0 HD2 ARG A 50 19.543 12.588 -21.292 1.00 0.00 H new ATOM 0 HD3 ARG A 50 19.772 11.010 -22.019 1.00 0.00 H new ATOM 0 HE ARG A 50 17.005 12.123 -21.821 1.00 0.00 H new ATOM 0 HH11 ARG A 50 19.798 11.092 -23.722 1.00 0.00 H new ATOM 0 HH12 ARG A 50 18.919 11.118 -25.254 1.00 0.00 H new ATOM 0 HH21 ARG A 50 15.878 12.148 -23.820 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.721 11.710 -25.309 1.00 0.00 H new ATOM 797 N TYR A 51 17.027 12.197 -16.754 1.00 0.00 N ATOM 798 CA TYR A 51 15.962 11.587 -15.967 1.00 0.00 C ATOM 799 C TYR A 51 14.759 12.526 -15.844 1.00 0.00 C ATOM 800 O TYR A 51 13.610 12.077 -15.793 1.00 0.00 O ATOM 801 CB TYR A 51 16.485 11.209 -14.581 1.00 0.00 C ATOM 802 CG TYR A 51 15.592 10.245 -13.833 1.00 0.00 C ATOM 803 CD1 TYR A 51 15.563 8.900 -14.175 1.00 0.00 C ATOM 804 CD2 TYR A 51 14.783 10.674 -12.787 1.00 0.00 C ATOM 805 CE1 TYR A 51 14.755 8.008 -13.499 1.00 0.00 C ATOM 806 CE2 TYR A 51 13.973 9.785 -12.105 1.00 0.00 C ATOM 807 CZ TYR A 51 13.964 8.453 -12.465 1.00 0.00 C ATOM 808 OH TYR A 51 13.159 7.564 -11.790 1.00 0.00 O ATOM 0 H TYR A 51 17.886 12.375 -16.233 1.00 0.00 H new ATOM 0 HA TYR A 51 15.632 10.684 -16.481 1.00 0.00 H new ATOM 0 HB2 TYR A 51 17.475 10.766 -14.685 1.00 0.00 H new ATOM 0 HB3 TYR A 51 16.602 12.116 -13.988 1.00 0.00 H new ATOM 0 HD1 TYR A 51 16.184 8.545 -14.984 1.00 0.00 H new ATOM 0 HD2 TYR A 51 14.787 11.716 -12.503 1.00 0.00 H new ATOM 0 HE1 TYR A 51 14.744 6.965 -13.781 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.350 10.132 -11.294 1.00 0.00 H new ATOM 0 HH TYR A 51 13.572 6.675 -11.800 1.00 0.00 H new ATOM 818 N LEU A 52 15.029 13.829 -15.805 1.00 0.00 N ATOM 819 CA LEU A 52 13.964 14.824 -15.739 1.00 0.00 C ATOM 820 C LEU A 52 13.237 14.920 -17.076 1.00 0.00 C ATOM 821 O LEU A 52 12.082 15.329 -17.142 1.00 0.00 O ATOM 822 CB LEU A 52 14.516 16.198 -15.351 1.00 0.00 C ATOM 823 CG LEU A 52 15.188 16.273 -13.977 1.00 0.00 C ATOM 824 CD1 LEU A 52 15.491 17.718 -13.622 1.00 0.00 C ATOM 825 CD2 LEU A 52 14.317 15.629 -12.909 1.00 0.00 C ATOM 0 H LEU A 52 15.972 14.218 -15.818 1.00 0.00 H new ATOM 0 HA LEU A 52 13.259 14.504 -14.971 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.238 16.507 -16.107 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.699 16.919 -15.377 1.00 0.00 H new ATOM 0 HG LEU A 52 16.126 15.719 -14.022 1.00 0.00 H new ATOM 0 HD11 LEU A 52 15.969 17.760 -12.643 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.159 18.144 -14.370 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.563 18.289 -13.597 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.817 15.696 -11.943 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.360 16.148 -12.859 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.149 14.581 -13.159 1.00 0.00 H new ATOM 837 N ARG A 53 13.925 14.540 -18.139 1.00 0.00 N ATOM 838 CA ARG A 53 13.318 14.496 -19.463 1.00 0.00 C ATOM 839 C ARG A 53 12.347 13.330 -19.540 1.00 0.00 C ATOM 840 O ARG A 53 11.274 13.431 -20.140 1.00 0.00 O ATOM 841 CB ARG A 53 14.382 14.330 -20.548 1.00 0.00 C ATOM 842 CG ARG A 53 15.367 15.476 -20.644 1.00 0.00 C ATOM 843 CD ARG A 53 16.500 15.151 -21.604 1.00 0.00 C ATOM 844 NE ARG A 53 17.515 16.195 -21.607 1.00 0.00 N ATOM 845 CZ ARG A 53 18.790 16.018 -21.947 1.00 0.00 C ATOM 846 NH1 ARG A 53 19.210 14.836 -22.382 1.00 0.00 N ATOM 847 NH2 ARG A 53 19.636 17.037 -21.869 1.00 0.00 N ATOM 0 H ARG A 53 14.905 14.257 -18.114 1.00 0.00 H new ATOM 0 HA ARG A 53 12.792 15.436 -19.628 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.933 13.409 -20.360 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.885 14.213 -21.511 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.850 16.375 -20.979 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.775 15.692 -19.656 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.955 14.201 -21.323 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.101 15.028 -22.611 1.00 0.00 H new ATOM 0 HE ARG A 53 17.227 17.133 -21.327 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.555 14.058 -22.457 1.00 0.00 H new ATOM 0 HH12 ARG A 53 20.188 14.706 -22.641 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.308 17.949 -21.550 1.00 0.00 H new ATOM 0 HH22 ARG A 53 20.614 16.909 -22.128 1.00 0.00 H new ATOM 861 N GLU A 54 12.742 12.222 -18.927 1.00 0.00 N ATOM 862 CA GLU A 54 11.941 11.012 -18.953 1.00 0.00 C ATOM 863 C GLU A 54 10.663 11.160 -18.138 1.00 0.00 C ATOM 864 O GLU A 54 9.570 11.204 -18.707 1.00 0.00 O ATOM 865 CB GLU A 54 12.758 9.822 -18.442 1.00 0.00 C ATOM 866 CG GLU A 54 13.490 9.057 -19.536 1.00 0.00 C ATOM 867 CD GLU A 54 14.489 9.898 -20.311 1.00 0.00 C ATOM 868 OE1 GLU A 54 14.077 10.587 -21.272 1.00 0.00 O ATOM 869 OE2 GLU A 54 15.689 9.843 -19.989 1.00 0.00 O ATOM 0 H GLU A 54 13.615 12.139 -18.405 1.00 0.00 H new ATOM 0 HA GLU A 54 11.653 10.832 -19.989 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.486 10.180 -17.714 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.093 9.137 -17.917 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.012 8.212 -19.088 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.758 8.647 -20.232 1.00 0.00 H new ATOM 876 N GLN A 55 10.777 11.252 -16.815 1.00 0.00 N ATOM 877 CA GLN A 55 9.577 11.321 -15.992 1.00 0.00 C ATOM 878 C GLN A 55 9.295 12.732 -15.479 1.00 0.00 C ATOM 879 O GLN A 55 8.192 13.240 -15.692 1.00 0.00 O ATOM 880 CB GLN A 55 9.604 10.305 -14.838 1.00 0.00 C ATOM 881 CG GLN A 55 10.563 10.609 -13.694 1.00 0.00 C ATOM 882 CD GLN A 55 10.487 9.548 -12.614 1.00 0.00 C ATOM 883 OE1 GLN A 55 10.209 8.382 -12.896 1.00 0.00 O ATOM 884 NE2 GLN A 55 10.729 9.934 -11.373 1.00 0.00 N ATOM 0 H GLN A 55 11.660 11.280 -16.304 1.00 0.00 H new ATOM 0 HA GLN A 55 8.750 11.050 -16.648 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.597 10.225 -14.428 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.859 9.328 -15.248 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.582 10.669 -14.077 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.325 11.583 -13.267 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.956 10.909 -11.177 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.689 9.257 -10.611 1.00 0.00 H new ATOM 893 N LEU A 56 10.284 13.369 -14.831 1.00 0.00 N ATOM 894 CA LEU A 56 10.053 14.635 -14.117 1.00 0.00 C ATOM 895 C LEU A 56 8.804 14.507 -13.236 1.00 0.00 C ATOM 896 O LEU A 56 7.973 15.415 -13.171 1.00 0.00 O ATOM 897 CB LEU A 56 9.873 15.779 -15.126 1.00 0.00 C ATOM 898 CG LEU A 56 9.964 17.194 -14.551 1.00 0.00 C ATOM 899 CD1 LEU A 56 11.386 17.501 -14.118 1.00 0.00 C ATOM 900 CD2 LEU A 56 9.476 18.215 -15.569 1.00 0.00 C ATOM 0 H LEU A 56 11.245 13.031 -14.787 1.00 0.00 H new ATOM 0 HA LEU A 56 10.914 14.856 -13.486 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.629 15.674 -15.904 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.902 15.664 -15.607 1.00 0.00 H new ATOM 0 HG LEU A 56 9.320 17.254 -13.673 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.432 18.511 -13.712 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.696 16.788 -13.354 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.052 17.425 -14.977 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.548 19.216 -15.143 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.092 18.157 -16.466 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.438 18.004 -15.827 1.00 0.00 H new ATOM 912 N GLY A 57 8.684 13.376 -12.548 1.00 0.00 N ATOM 913 CA GLY A 57 7.413 13.019 -11.951 1.00 0.00 C ATOM 914 C GLY A 57 7.463 12.778 -10.457 1.00 0.00 C ATOM 915 O GLY A 57 6.417 12.525 -9.849 1.00 0.00 O ATOM 0 H GLY A 57 9.438 12.706 -12.395 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.695 13.814 -12.154 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.038 12.119 -12.438 1.00 0.00 H new ATOM 919 N PHE A 58 8.660 12.838 -9.863 1.00 0.00 N ATOM 920 CA PHE A 58 8.811 12.688 -8.408 1.00 0.00 C ATOM 921 C PHE A 58 8.286 11.316 -7.986 1.00 0.00 C ATOM 922 O PHE A 58 8.184 10.407 -8.817 1.00 0.00 O ATOM 923 CB PHE A 58 8.046 13.809 -7.678 1.00 0.00 C ATOM 924 CG PHE A 58 8.153 15.158 -8.345 1.00 0.00 C ATOM 925 CD1 PHE A 58 9.294 15.522 -9.051 1.00 0.00 C ATOM 926 CD2 PHE A 58 7.096 16.051 -8.285 1.00 0.00 C ATOM 927 CE1 PHE A 58 9.376 16.751 -9.673 1.00 0.00 C ATOM 928 CE2 PHE A 58 7.174 17.283 -8.907 1.00 0.00 C ATOM 929 CZ PHE A 58 8.314 17.632 -9.602 1.00 0.00 C ATOM 0 H PHE A 58 9.536 12.989 -10.363 1.00 0.00 H new ATOM 0 HA PHE A 58 9.865 12.764 -8.140 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.994 13.532 -7.608 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.423 13.888 -6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.125 14.835 -9.113 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.200 15.781 -7.746 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.269 17.024 -10.215 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.344 17.971 -8.849 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.376 18.593 -10.090 1.00 0.00 H new ATOM 939 N GLU A 59 7.964 11.141 -6.712 1.00 0.00 N ATOM 940 CA GLU A 59 7.233 9.957 -6.306 1.00 0.00 C ATOM 941 C GLU A 59 5.796 10.356 -6.024 1.00 0.00 C ATOM 942 O GLU A 59 5.484 10.909 -4.971 1.00 0.00 O ATOM 943 CB GLU A 59 7.879 9.302 -5.084 1.00 0.00 C ATOM 944 CG GLU A 59 8.990 8.318 -5.424 1.00 0.00 C ATOM 945 CD GLU A 59 8.478 7.087 -6.149 1.00 0.00 C ATOM 946 OE1 GLU A 59 8.080 6.114 -5.472 1.00 0.00 O ATOM 947 OE2 GLU A 59 8.464 7.084 -7.396 1.00 0.00 O ATOM 0 H GLU A 59 8.193 11.790 -5.959 1.00 0.00 H new ATOM 0 HA GLU A 59 7.256 9.217 -7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.283 10.081 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.109 8.782 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.735 8.817 -6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.493 8.012 -4.506 1.00 0.00 H new ATOM 954 N PHE A 60 4.924 10.068 -6.970 1.00 0.00 N ATOM 955 CA PHE A 60 3.563 10.558 -6.915 1.00 0.00 C ATOM 956 C PHE A 60 2.605 9.412 -6.656 1.00 0.00 C ATOM 957 O PHE A 60 2.336 8.604 -7.542 1.00 0.00 O ATOM 958 CB PHE A 60 3.210 11.262 -8.227 1.00 0.00 C ATOM 959 CG PHE A 60 2.238 12.390 -8.065 1.00 0.00 C ATOM 960 CD1 PHE A 60 0.871 12.167 -8.098 1.00 0.00 C ATOM 961 CD2 PHE A 60 2.701 13.680 -7.884 1.00 0.00 C ATOM 962 CE1 PHE A 60 -0.016 13.217 -7.951 1.00 0.00 C ATOM 963 CE2 PHE A 60 1.821 14.732 -7.736 1.00 0.00 C ATOM 964 CZ PHE A 60 0.460 14.502 -7.770 1.00 0.00 C ATOM 0 H PHE A 60 5.135 9.496 -7.787 1.00 0.00 H new ATOM 0 HA PHE A 60 3.475 11.274 -6.098 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.124 11.645 -8.681 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.792 10.531 -8.920 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.495 11.164 -8.240 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.764 13.866 -7.858 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.080 13.033 -7.978 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.196 15.735 -7.594 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.231 15.324 -7.655 1.00 0.00 H new ATOM 974 N LYS A 61 2.114 9.328 -5.434 1.00 0.00 N ATOM 975 CA LYS A 61 1.199 8.266 -5.065 1.00 0.00 C ATOM 976 C LYS A 61 -0.222 8.806 -5.045 1.00 0.00 C ATOM 977 O LYS A 61 -0.438 10.001 -4.832 1.00 0.00 O ATOM 978 CB LYS A 61 1.569 7.685 -3.696 1.00 0.00 C ATOM 979 CG LYS A 61 3.054 7.383 -3.541 1.00 0.00 C ATOM 980 CD LYS A 61 3.549 6.386 -4.577 1.00 0.00 C ATOM 981 CE LYS A 61 5.050 6.182 -4.463 1.00 0.00 C ATOM 982 NZ LYS A 61 5.564 5.206 -5.457 1.00 0.00 N ATOM 0 H LYS A 61 2.333 9.981 -4.682 1.00 0.00 H new ATOM 0 HA LYS A 61 1.269 7.465 -5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.267 8.387 -2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.002 6.768 -3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.622 8.309 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.240 6.989 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.038 5.433 -4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.302 6.742 -5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.556 7.138 -4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.292 5.835 -3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.569 5.397 -5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.458 4.241 -5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.025 5.295 -6.342 1.00 0.00 H new ATOM 996 N ASN A 62 -1.181 7.935 -5.286 1.00 0.00 N ATOM 997 CA ASN A 62 -2.579 8.330 -5.329 1.00 0.00 C ATOM 998 C ASN A 62 -3.445 7.121 -5.027 1.00 0.00 C ATOM 999 O ASN A 62 -3.051 5.990 -5.325 1.00 0.00 O ATOM 1000 CB ASN A 62 -2.921 8.909 -6.710 1.00 0.00 C ATOM 1001 CG ASN A 62 -4.311 9.517 -6.776 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -5.283 8.844 -7.122 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -4.415 10.796 -6.450 1.00 0.00 N ATOM 0 H ASN A 62 -1.019 6.943 -5.456 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.767 9.101 -4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.186 9.670 -6.970 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.841 8.120 -7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.324 11.258 -6.480 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.586 11.320 -6.168 1.00 0.00 H new ATOM 1010 N ALA A 63 -4.608 7.349 -4.432 1.00 0.00 N ATOM 1011 CA ALA A 63 -5.522 6.263 -4.092 1.00 0.00 C ATOM 1012 C ALA A 63 -6.137 5.641 -5.346 1.00 0.00 C ATOM 1013 O ALA A 63 -6.856 4.644 -5.262 1.00 0.00 O ATOM 1014 CB ALA A 63 -6.611 6.766 -3.157 1.00 0.00 C ATOM 0 H ALA A 63 -4.943 8.277 -4.174 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.950 5.487 -3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.286 5.947 -2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.157 7.149 -2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.171 7.563 -3.646 1.00 0.00 H new ATOM 1477 N ASP B 19 1.700 -1.306 4.335 1.00 0.00 N ATOM 1478 CA ASP B 19 1.076 -0.226 3.580 1.00 0.00 C ATOM 1479 C ASP B 19 0.757 0.925 4.511 1.00 0.00 C ATOM 1480 O ASP B 19 -0.198 1.672 4.299 1.00 0.00 O ATOM 1481 CB ASP B 19 -0.202 -0.708 2.881 1.00 0.00 C ATOM 1482 CG ASP B 19 0.085 -1.575 1.672 1.00 0.00 C ATOM 1483 OD1 ASP B 19 0.318 -1.021 0.577 1.00 0.00 O ATOM 1484 OD2 ASP B 19 0.076 -2.814 1.810 1.00 0.00 O ATOM 0 HA ASP B 19 1.774 0.108 2.812 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -0.809 -1.270 3.590 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -0.790 0.156 2.572 1.00 0.00 H new ATOM 1489 N VAL B 20 1.571 1.066 5.546 1.00 0.00 N ATOM 1490 CA VAL B 20 1.346 2.080 6.560 1.00 0.00 C ATOM 1491 C VAL B 20 2.549 3.006 6.667 1.00 0.00 C ATOM 1492 O VAL B 20 3.664 2.562 6.951 1.00 0.00 O ATOM 1493 CB VAL B 20 1.081 1.448 7.942 1.00 0.00 C ATOM 1494 CG1 VAL B 20 0.496 2.474 8.902 1.00 0.00 C ATOM 1495 CG2 VAL B 20 0.173 0.233 7.816 1.00 0.00 C ATOM 0 H VAL B 20 2.396 0.488 5.704 1.00 0.00 H new ATOM 0 HA VAL B 20 0.467 2.648 6.256 1.00 0.00 H new ATOM 0 HB VAL B 20 2.034 1.112 8.352 1.00 0.00 H new ATOM 0 HG11 VAL B 20 0.317 2.006 9.870 1.00 0.00 H new ATOM 0 HG12 VAL B 20 1.196 3.301 9.022 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -0.445 2.851 8.502 1.00 0.00 H new ATOM 0 HG21 VAL B 20 0.000 -0.196 8.803 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -0.779 0.534 7.379 1.00 0.00 H new ATOM 0 HG23 VAL B 20 0.647 -0.511 7.175 1.00 0.00 H new ATOM 1505 N GLN B 21 2.321 4.284 6.415 1.00 0.00 N ATOM 1506 CA GLN B 21 3.356 5.294 6.562 1.00 0.00 C ATOM 1507 C GLN B 21 2.739 6.616 7.011 1.00 0.00 C ATOM 1508 O GLN B 21 1.518 6.736 7.110 1.00 0.00 O ATOM 1509 CB GLN B 21 4.163 5.463 5.260 1.00 0.00 C ATOM 1510 CG GLN B 21 3.370 5.256 3.972 1.00 0.00 C ATOM 1511 CD GLN B 21 2.215 6.221 3.809 1.00 0.00 C ATOM 1512 OE1 GLN B 21 1.093 5.932 4.207 1.00 0.00 O ATOM 1513 NE2 GLN B 21 2.486 7.374 3.226 1.00 0.00 N ATOM 0 H GLN B 21 1.420 4.649 6.105 1.00 0.00 H new ATOM 0 HA GLN B 21 4.055 4.963 7.330 1.00 0.00 H new ATOM 0 HB2 GLN B 21 4.594 6.464 5.246 1.00 0.00 H new ATOM 0 HB3 GLN B 21 4.995 4.759 5.273 1.00 0.00 H new ATOM 0 HG2 GLN B 21 4.042 5.360 3.121 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.986 4.236 3.952 1.00 0.00 H new ATOM 0 HE21 GLN B 21 3.435 7.575 2.909 1.00 0.00 H new ATOM 0 HE22 GLN B 21 1.747 8.064 3.092 1.00 0.00 H new ATOM 1522 N ILE B 22 3.578 7.596 7.306 1.00 0.00 N ATOM 1523 CA ILE B 22 3.097 8.884 7.781 1.00 0.00 C ATOM 1524 C ILE B 22 3.739 10.021 6.985 1.00 0.00 C ATOM 1525 O ILE B 22 4.807 9.847 6.398 1.00 0.00 O ATOM 1526 CB ILE B 22 3.379 9.078 9.294 1.00 0.00 C ATOM 1527 CG1 ILE B 22 2.800 7.915 10.107 1.00 0.00 C ATOM 1528 CG2 ILE B 22 2.789 10.389 9.781 1.00 0.00 C ATOM 1529 CD1 ILE B 22 2.939 8.094 11.604 1.00 0.00 C ATOM 0 H ILE B 22 4.592 7.525 7.225 1.00 0.00 H new ATOM 0 HA ILE B 22 2.017 8.904 7.632 1.00 0.00 H new ATOM 0 HB ILE B 22 4.460 9.101 9.435 1.00 0.00 H new ATOM 0 HG12 ILE B 22 1.745 7.800 9.860 1.00 0.00 H new ATOM 0 HG13 ILE B 22 3.299 6.992 9.812 1.00 0.00 H new ATOM 0 HG21 ILE B 22 2.996 10.509 10.844 1.00 0.00 H new ATOM 0 HG22 ILE B 22 3.235 11.216 9.229 1.00 0.00 H new ATOM 0 HG23 ILE B 22 1.711 10.385 9.620 1.00 0.00 H new ATOM 0 HD11 ILE B 22 2.508 7.233 12.115 1.00 0.00 H new ATOM 0 HD12 ILE B 22 3.994 8.179 11.864 1.00 0.00 H new ATOM 0 HD13 ILE B 22 2.415 8.999 11.912 1.00 0.00 H new ATOM 1541 N ASP B 23 3.066 11.165 6.951 1.00 0.00 N ATOM 1542 CA ASP B 23 3.540 12.334 6.237 1.00 0.00 C ATOM 1543 C ASP B 23 4.579 13.102 7.063 1.00 0.00 C ATOM 1544 O ASP B 23 5.143 12.580 8.025 1.00 0.00 O ATOM 1545 CB ASP B 23 2.354 13.249 5.929 1.00 0.00 C ATOM 1546 CG ASP B 23 1.808 13.922 7.174 1.00 0.00 C ATOM 1547 OD1 ASP B 23 1.294 13.213 8.069 1.00 0.00 O ATOM 1548 OD2 ASP B 23 1.909 15.161 7.262 1.00 0.00 O ATOM 0 H ASP B 23 2.172 11.304 7.422 1.00 0.00 H new ATOM 0 HA ASP B 23 4.014 12.008 5.311 1.00 0.00 H new ATOM 0 HB2 ASP B 23 2.662 14.010 5.212 1.00 0.00 H new ATOM 0 HB3 ASP B 23 1.563 12.668 5.456 1.00 0.00 H new ATOM 1553 N PHE B 24 4.800 14.353 6.682 1.00 0.00 N ATOM 1554 CA PHE B 24 5.807 15.202 7.302 1.00 0.00 C ATOM 1555 C PHE B 24 5.341 15.736 8.660 1.00 0.00 C ATOM 1556 O PHE B 24 6.157 15.972 9.551 1.00 0.00 O ATOM 1557 CB PHE B 24 6.140 16.363 6.356 1.00 0.00 C ATOM 1558 CG PHE B 24 7.185 17.310 6.876 1.00 0.00 C ATOM 1559 CD1 PHE B 24 8.525 16.961 6.858 1.00 0.00 C ATOM 1560 CD2 PHE B 24 6.826 18.550 7.382 1.00 0.00 C ATOM 1561 CE1 PHE B 24 9.487 17.829 7.334 1.00 0.00 C ATOM 1562 CE2 PHE B 24 7.784 19.422 7.859 1.00 0.00 C ATOM 1563 CZ PHE B 24 9.116 19.062 7.837 1.00 0.00 C ATOM 0 H PHE B 24 4.283 14.809 5.930 1.00 0.00 H new ATOM 0 HA PHE B 24 6.700 14.603 7.481 1.00 0.00 H new ATOM 0 HB2 PHE B 24 6.480 15.954 5.405 1.00 0.00 H new ATOM 0 HB3 PHE B 24 5.227 16.924 6.154 1.00 0.00 H new ATOM 0 HD1 PHE B 24 8.821 15.999 6.467 1.00 0.00 H new ATOM 0 HD2 PHE B 24 5.785 18.837 7.403 1.00 0.00 H new ATOM 0 HE1 PHE B 24 10.529 17.545 7.313 1.00 0.00 H new ATOM 0 HE2 PHE B 24 7.491 20.386 8.249 1.00 0.00 H new ATOM 0 HZ PHE B 24 9.867 19.742 8.212 1.00 0.00 H new ATOM 1573 N TYR B 25 4.034 15.922 8.818 1.00 0.00 N ATOM 1574 CA TYR B 25 3.494 16.480 10.054 1.00 0.00 C ATOM 1575 C TYR B 25 3.386 15.417 11.141 1.00 0.00 C ATOM 1576 O TYR B 25 3.297 15.737 12.329 1.00 0.00 O ATOM 1577 CB TYR B 25 2.127 17.123 9.809 1.00 0.00 C ATOM 1578 CG TYR B 25 2.191 18.391 8.989 1.00 0.00 C ATOM 1579 CD1 TYR B 25 2.693 19.564 9.535 1.00 0.00 C ATOM 1580 CD2 TYR B 25 1.744 18.417 7.675 1.00 0.00 C ATOM 1581 CE1 TYR B 25 2.749 20.730 8.797 1.00 0.00 C ATOM 1582 CE2 TYR B 25 1.799 19.580 6.928 1.00 0.00 C ATOM 1583 CZ TYR B 25 2.301 20.734 7.495 1.00 0.00 C ATOM 1584 OH TYR B 25 2.352 21.896 6.755 1.00 0.00 O ATOM 0 H TYR B 25 3.333 15.697 8.112 1.00 0.00 H new ATOM 0 HA TYR B 25 4.187 17.249 10.396 1.00 0.00 H new ATOM 0 HB2 TYR B 25 1.483 16.405 9.302 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.662 17.345 10.770 1.00 0.00 H new ATOM 0 HD1 TYR B 25 3.046 19.565 10.556 1.00 0.00 H new ATOM 0 HD2 TYR B 25 1.348 17.516 7.230 1.00 0.00 H new ATOM 0 HE1 TYR B 25 3.142 21.634 9.239 1.00 0.00 H new ATOM 0 HE2 TYR B 25 1.451 19.585 5.906 1.00 0.00 H new ATOM 0 HH TYR B 25 2.470 21.675 5.807 1.00 0.00 H new ATOM 1594 N GLY B 26 3.385 14.156 10.735 1.00 0.00 N ATOM 1595 CA GLY B 26 3.370 13.078 11.695 1.00 0.00 C ATOM 1596 C GLY B 26 1.975 12.748 12.177 1.00 0.00 C ATOM 1597 O GLY B 26 1.770 12.509 13.368 1.00 0.00 O ATOM 0 H GLY B 26 3.394 13.863 9.758 1.00 0.00 H new ATOM 0 HA2 GLY B 26 3.815 12.190 11.246 1.00 0.00 H new ATOM 0 HA3 GLY B 26 3.991 13.348 12.549 1.00 0.00 H new ATOM 1601 N ASP B 27 1.013 12.744 11.265 1.00 0.00 N ATOM 1602 CA ASP B 27 -0.347 12.352 11.612 1.00 0.00 C ATOM 1603 C ASP B 27 -0.569 10.884 11.266 1.00 0.00 C ATOM 1604 O ASP B 27 -0.441 10.012 12.126 1.00 0.00 O ATOM 1605 CB ASP B 27 -1.373 13.228 10.888 1.00 0.00 C ATOM 1606 CG ASP B 27 -2.782 12.992 11.392 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -3.178 13.652 12.374 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -3.501 12.146 10.817 1.00 0.00 O ATOM 0 H ASP B 27 1.146 13.005 10.288 1.00 0.00 H new ATOM 0 HA ASP B 27 -0.481 12.491 12.685 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -1.112 14.278 11.022 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -1.332 13.024 9.818 1.00 0.00 H new ATOM 1613 N GLU B 28 -0.877 10.626 9.997 1.00 0.00 N ATOM 1614 CA GLU B 28 -1.055 9.273 9.480 1.00 0.00 C ATOM 1615 C GLU B 28 -1.445 9.352 8.018 1.00 0.00 C ATOM 1616 O GLU B 28 -2.201 10.237 7.619 1.00 0.00 O ATOM 1617 CB GLU B 28 -2.150 8.516 10.243 1.00 0.00 C ATOM 1618 CG GLU B 28 -2.118 7.016 10.026 1.00 0.00 C ATOM 1619 CD GLU B 28 -3.250 6.306 10.738 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -3.317 6.381 11.983 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -4.082 5.664 10.062 1.00 0.00 O ATOM 0 H GLU B 28 -1.011 11.354 9.295 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.115 8.735 9.605 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -2.047 8.722 11.308 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -3.124 8.898 9.937 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -2.175 6.805 8.958 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -1.166 6.621 10.379 1.00 0.00 H new ATOM 1628 N VAL B 29 -0.917 8.449 7.215 1.00 0.00 N ATOM 1629 CA VAL B 29 -1.316 8.360 5.827 1.00 0.00 C ATOM 1630 C VAL B 29 -1.750 6.936 5.520 1.00 0.00 C ATOM 1631 O VAL B 29 -1.178 5.975 6.037 1.00 0.00 O ATOM 1632 CB VAL B 29 -0.189 8.790 4.864 1.00 0.00 C ATOM 1633 CG1 VAL B 29 -0.708 8.863 3.438 1.00 0.00 C ATOM 1634 CG2 VAL B 29 0.404 10.128 5.275 1.00 0.00 C ATOM 0 H VAL B 29 -0.213 7.769 7.500 1.00 0.00 H new ATOM 0 HA VAL B 29 -2.147 9.048 5.673 1.00 0.00 H new ATOM 0 HB VAL B 29 0.599 8.039 4.915 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.099 9.168 2.772 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.078 7.884 3.135 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -1.518 9.590 3.382 1.00 0.00 H new ATOM 0 HG21 VAL B 29 1.195 10.405 4.578 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -0.375 10.891 5.261 1.00 0.00 H new ATOM 0 HG23 VAL B 29 0.817 10.049 6.281 1.00 0.00 H new ATOM 1644 N THR B 30 -2.782 6.800 4.712 1.00 0.00 N ATOM 1645 CA THR B 30 -3.325 5.498 4.399 1.00 0.00 C ATOM 1646 C THR B 30 -3.347 5.292 2.886 1.00 0.00 C ATOM 1647 O THR B 30 -3.371 6.264 2.137 1.00 0.00 O ATOM 1648 CB THR B 30 -4.748 5.362 4.980 1.00 0.00 C ATOM 1649 OG1 THR B 30 -5.599 6.383 4.437 1.00 0.00 O ATOM 1650 CG2 THR B 30 -4.720 5.479 6.501 1.00 0.00 C ATOM 0 H THR B 30 -3.261 7.579 4.260 1.00 0.00 H new ATOM 0 HA THR B 30 -2.692 4.733 4.848 1.00 0.00 H new ATOM 0 HB THR B 30 -5.138 4.381 4.709 1.00 0.00 H new ATOM 0 HG1 THR B 30 -6.501 6.289 4.809 1.00 0.00 H new ATOM 0 HG21 THR B 30 -5.733 5.381 6.892 1.00 0.00 H new ATOM 0 HG22 THR B 30 -4.093 4.690 6.915 1.00 0.00 H new ATOM 0 HG23 THR B 30 -4.315 6.451 6.784 1.00 0.00 H new ATOM 1658 N PRO B 31 -3.337 4.031 2.416 1.00 0.00 N ATOM 1659 CA PRO B 31 -3.357 3.716 0.977 1.00 0.00 C ATOM 1660 C PRO B 31 -4.626 4.216 0.281 1.00 0.00 C ATOM 1661 O PRO B 31 -4.683 4.288 -0.945 1.00 0.00 O ATOM 1662 CB PRO B 31 -3.291 2.185 0.938 1.00 0.00 C ATOM 1663 CG PRO B 31 -3.729 1.740 2.291 1.00 0.00 C ATOM 1664 CD PRO B 31 -3.284 2.814 3.242 1.00 0.00 C ATOM 0 HA PRO B 31 -2.537 4.203 0.449 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -3.942 1.783 0.161 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -2.281 1.840 0.718 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -4.810 1.609 2.328 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -3.283 0.780 2.550 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -3.943 2.885 4.108 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -2.279 2.627 3.621 1.00 0.00 H new ATOM 1672 N VAL B 32 -5.634 4.559 1.073 1.00 0.00 N ATOM 1673 CA VAL B 32 -6.882 5.092 0.537 1.00 0.00 C ATOM 1674 C VAL B 32 -6.845 6.623 0.572 1.00 0.00 C ATOM 1675 O VAL B 32 -7.847 7.298 0.332 1.00 0.00 O ATOM 1676 CB VAL B 32 -8.100 4.575 1.341 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -9.397 4.797 0.573 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -7.928 3.104 1.690 1.00 0.00 C ATOM 0 H VAL B 32 -5.613 4.478 2.090 1.00 0.00 H new ATOM 0 HA VAL B 32 -6.987 4.752 -0.493 1.00 0.00 H new ATOM 0 HB VAL B 32 -8.157 5.144 2.269 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -10.236 4.425 1.161 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -9.530 5.862 0.384 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -9.354 4.263 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -8.795 2.760 2.255 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -7.838 2.521 0.774 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -7.028 2.976 2.292 1.00 0.00 H new ATOM 1688 N ASP B 33 -5.669 7.158 0.867 1.00 0.00 N ATOM 1689 CA ASP B 33 -5.462 8.597 0.940 1.00 0.00 C ATOM 1690 C ASP B 33 -4.320 8.995 0.020 1.00 0.00 C ATOM 1691 O ASP B 33 -3.405 8.203 -0.213 1.00 0.00 O ATOM 1692 CB ASP B 33 -5.141 9.021 2.374 1.00 0.00 C ATOM 1693 CG ASP B 33 -6.187 9.949 2.955 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -7.225 9.451 3.441 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -5.971 11.175 2.941 1.00 0.00 O ATOM 0 H ASP B 33 -4.833 6.608 1.062 1.00 0.00 H new ATOM 0 HA ASP B 33 -6.377 9.099 0.625 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -5.059 8.134 3.002 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -4.170 9.516 2.394 1.00 0.00 H new ATOM 1700 N ASP B 34 -4.366 10.210 -0.501 1.00 0.00 N ATOM 1701 CA ASP B 34 -3.340 10.663 -1.431 1.00 0.00 C ATOM 1702 C ASP B 34 -2.154 11.244 -0.682 1.00 0.00 C ATOM 1703 O ASP B 34 -2.308 12.095 0.199 1.00 0.00 O ATOM 1704 CB ASP B 34 -3.873 11.718 -2.409 1.00 0.00 C ATOM 1705 CG ASP B 34 -4.917 11.187 -3.372 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -4.986 9.956 -3.575 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -5.662 12.012 -3.949 1.00 0.00 O ATOM 0 H ASP B 34 -5.094 10.896 -0.300 1.00 0.00 H new ATOM 0 HA ASP B 34 -3.028 9.788 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -4.303 12.543 -1.841 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -3.039 12.125 -2.980 1.00 0.00 H new ATOM 1712 N TYR B 35 -0.969 10.785 -1.037 1.00 0.00 N ATOM 1713 CA TYR B 35 0.257 11.339 -0.498 1.00 0.00 C ATOM 1714 C TYR B 35 1.322 11.337 -1.578 1.00 0.00 C ATOM 1715 O TYR B 35 1.287 10.510 -2.488 1.00 0.00 O ATOM 1716 CB TYR B 35 0.741 10.546 0.723 1.00 0.00 C ATOM 1717 CG TYR B 35 1.342 9.192 0.400 1.00 0.00 C ATOM 1718 CD1 TYR B 35 0.546 8.058 0.280 1.00 0.00 C ATOM 1719 CD2 TYR B 35 2.714 9.052 0.226 1.00 0.00 C ATOM 1720 CE1 TYR B 35 1.103 6.826 -0.005 1.00 0.00 C ATOM 1721 CE2 TYR B 35 3.276 7.826 -0.056 1.00 0.00 C ATOM 1722 CZ TYR B 35 2.468 6.716 -0.171 1.00 0.00 C ATOM 1723 OH TYR B 35 3.026 5.492 -0.450 1.00 0.00 O ATOM 0 H TYR B 35 -0.830 10.024 -1.702 1.00 0.00 H new ATOM 0 HA TYR B 35 0.062 12.360 -0.171 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.484 11.141 1.255 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -0.099 10.403 1.403 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -0.523 8.141 0.411 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.351 9.920 0.313 1.00 0.00 H new ATOM 0 HE1 TYR B 35 0.473 5.954 -0.097 1.00 0.00 H new ATOM 0 HE2 TYR B 35 4.344 7.736 -0.186 1.00 0.00 H new ATOM 0 HH TYR B 35 3.997 5.588 -0.538 1.00 0.00 H new ATOM 1733 N VAL B 36 2.257 12.257 -1.490 1.00 0.00 N ATOM 1734 CA VAL B 36 3.313 12.349 -2.477 1.00 0.00 C ATOM 1735 C VAL B 36 4.666 12.410 -1.787 1.00 0.00 C ATOM 1736 O VAL B 36 4.812 13.043 -0.740 1.00 0.00 O ATOM 1737 CB VAL B 36 3.104 13.574 -3.396 1.00 0.00 C ATOM 1738 CG1 VAL B 36 4.285 13.794 -4.329 1.00 0.00 C ATOM 1739 CG2 VAL B 36 1.830 13.406 -4.206 1.00 0.00 C ATOM 0 H VAL B 36 2.309 12.953 -0.746 1.00 0.00 H new ATOM 0 HA VAL B 36 3.283 11.458 -3.104 1.00 0.00 H new ATOM 0 HB VAL B 36 3.019 14.453 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL B 36 4.096 14.665 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL B 36 5.187 13.960 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.419 12.915 -4.959 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.691 14.274 -4.850 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.904 12.507 -4.819 1.00 0.00 H new ATOM 0 HG23 VAL B 36 0.979 13.316 -3.531 1.00 0.00 H new ATOM 1749 N ILE B 37 5.636 11.716 -2.360 1.00 0.00 N ATOM 1750 CA ILE B 37 6.977 11.668 -1.811 1.00 0.00 C ATOM 1751 C ILE B 37 7.881 12.609 -2.586 1.00 0.00 C ATOM 1752 O ILE B 37 8.098 12.452 -3.801 1.00 0.00 O ATOM 1753 CB ILE B 37 7.540 10.229 -1.808 1.00 0.00 C ATOM 1754 CG1 ILE B 37 6.608 9.303 -1.017 1.00 0.00 C ATOM 1755 CG2 ILE B 37 8.942 10.200 -1.217 1.00 0.00 C ATOM 1756 CD1 ILE B 37 7.078 7.863 -0.954 1.00 0.00 C ATOM 0 H ILE B 37 5.515 11.173 -3.215 1.00 0.00 H new ATOM 0 HA ILE B 37 6.936 11.994 -0.772 1.00 0.00 H new ATOM 0 HB ILE B 37 7.598 9.877 -2.838 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.508 9.686 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE B 37 5.616 9.331 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE B 37 9.319 9.177 -1.225 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.600 10.834 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE B 37 8.912 10.568 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE B 37 6.366 7.273 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.151 7.459 -1.964 1.00 0.00 H new ATOM 0 HD13 ILE B 37 8.056 7.820 -0.475 1.00 0.00 H new ATOM 1768 N ASP B 38 8.373 13.603 -1.863 1.00 0.00 N ATOM 1769 CA ASP B 38 9.192 14.660 -2.430 1.00 0.00 C ATOM 1770 C ASP B 38 10.610 14.547 -1.883 1.00 0.00 C ATOM 1771 O ASP B 38 10.921 15.033 -0.798 1.00 0.00 O ATOM 1772 CB ASP B 38 8.588 16.030 -2.081 1.00 0.00 C ATOM 1773 CG ASP B 38 9.269 17.198 -2.776 1.00 0.00 C ATOM 1774 OD1 ASP B 38 10.469 17.098 -3.094 1.00 0.00 O ATOM 1775 OD2 ASP B 38 8.591 18.222 -3.021 1.00 0.00 O ATOM 0 H ASP B 38 8.214 13.698 -0.860 1.00 0.00 H new ATOM 0 HA ASP B 38 9.221 14.561 -3.515 1.00 0.00 H new ATOM 0 HB2 ASP B 38 7.531 16.028 -2.346 1.00 0.00 H new ATOM 0 HB3 ASP B 38 8.646 16.178 -1.003 1.00 0.00 H new ATOM 1780 N GLY B 39 11.431 13.807 -2.602 1.00 0.00 N ATOM 1781 CA GLY B 39 12.840 13.709 -2.277 1.00 0.00 C ATOM 1782 C GLY B 39 13.126 12.616 -1.268 1.00 0.00 C ATOM 1783 O GLY B 39 14.281 12.329 -0.955 1.00 0.00 O ATOM 0 H GLY B 39 11.146 13.264 -3.417 1.00 0.00 H new ATOM 0 HA2 GLY B 39 13.407 13.516 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY B 39 13.186 14.664 -1.882 1.00 0.00 H new ATOM 1787 N GLY B 40 12.071 11.992 -0.777 1.00 0.00 N ATOM 1788 CA GLY B 40 12.214 10.976 0.242 1.00 0.00 C ATOM 1789 C GLY B 40 11.265 11.217 1.389 1.00 0.00 C ATOM 1790 O GLY B 40 10.899 10.290 2.114 1.00 0.00 O ATOM 0 H GLY B 40 11.110 12.172 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY B 40 12.024 9.994 -0.191 1.00 0.00 H new ATOM 0 HA3 GLY B 40 13.240 10.969 0.611 1.00 0.00 H new ATOM 1794 N GLU B 41 10.857 12.469 1.545 1.00 0.00 N ATOM 1795 CA GLU B 41 9.897 12.832 2.572 1.00 0.00 C ATOM 1796 C GLU B 41 8.478 12.656 2.054 1.00 0.00 C ATOM 1797 O GLU B 41 8.195 12.904 0.881 1.00 0.00 O ATOM 1798 CB GLU B 41 10.126 14.270 3.040 1.00 0.00 C ATOM 1799 CG GLU B 41 11.443 14.460 3.774 1.00 0.00 C ATOM 1800 CD GLU B 41 11.644 15.879 4.265 1.00 0.00 C ATOM 1801 OE1 GLU B 41 10.648 16.619 4.390 1.00 0.00 O ATOM 1802 OE2 GLU B 41 12.805 16.255 4.542 1.00 0.00 O ATOM 0 H GLU B 41 11.178 13.249 0.972 1.00 0.00 H new ATOM 0 HA GLU B 41 10.038 12.170 3.427 1.00 0.00 H new ATOM 0 HB2 GLU B 41 10.100 14.934 2.176 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.307 14.567 3.695 1.00 0.00 H new ATOM 0 HG2 GLU B 41 11.482 13.778 4.623 1.00 0.00 H new ATOM 0 HG3 GLU B 41 12.265 14.190 3.111 1.00 0.00 H new ATOM 1809 N ILE B 42 7.600 12.209 2.932 1.00 0.00 N ATOM 1810 CA ILE B 42 6.213 11.965 2.584 1.00 0.00 C ATOM 1811 C ILE B 42 5.353 13.156 2.982 1.00 0.00 C ATOM 1812 O ILE B 42 5.434 13.633 4.106 1.00 0.00 O ATOM 1813 CB ILE B 42 5.686 10.695 3.294 1.00 0.00 C ATOM 1814 CG1 ILE B 42 6.504 9.475 2.867 1.00 0.00 C ATOM 1815 CG2 ILE B 42 4.209 10.483 2.988 1.00 0.00 C ATOM 1816 CD1 ILE B 42 6.133 8.204 3.597 1.00 0.00 C ATOM 0 H ILE B 42 7.828 12.005 3.905 1.00 0.00 H new ATOM 0 HA ILE B 42 6.156 11.819 1.505 1.00 0.00 H new ATOM 0 HB ILE B 42 5.794 10.828 4.370 1.00 0.00 H new ATOM 0 HG12 ILE B 42 6.374 9.319 1.796 1.00 0.00 H new ATOM 0 HG13 ILE B 42 7.561 9.682 3.033 1.00 0.00 H new ATOM 0 HG21 ILE B 42 3.857 9.585 3.496 1.00 0.00 H new ATOM 0 HG22 ILE B 42 3.638 11.344 3.336 1.00 0.00 H new ATOM 0 HG23 ILE B 42 4.073 10.368 1.913 1.00 0.00 H new ATOM 0 HD11 ILE B 42 6.756 7.384 3.240 1.00 0.00 H new ATOM 0 HD12 ILE B 42 6.291 8.340 4.667 1.00 0.00 H new ATOM 0 HD13 ILE B 42 5.085 7.971 3.411 1.00 0.00 H new ATOM 1828 N ILE B 43 4.553 13.652 2.057 1.00 0.00 N ATOM 1829 CA ILE B 43 3.636 14.736 2.363 1.00 0.00 C ATOM 1830 C ILE B 43 2.210 14.305 2.059 1.00 0.00 C ATOM 1831 O ILE B 43 1.941 13.777 0.978 1.00 0.00 O ATOM 1832 CB ILE B 43 3.940 16.027 1.557 1.00 0.00 C ATOM 1833 CG1 ILE B 43 5.409 16.444 1.685 1.00 0.00 C ATOM 1834 CG2 ILE B 43 3.043 17.164 2.019 1.00 0.00 C ATOM 1835 CD1 ILE B 43 6.327 15.751 0.703 1.00 0.00 C ATOM 0 H ILE B 43 4.519 13.324 1.092 1.00 0.00 H new ATOM 0 HA ILE B 43 3.762 14.961 3.422 1.00 0.00 H new ATOM 0 HB ILE B 43 3.740 15.809 0.508 1.00 0.00 H new ATOM 0 HG12 ILE B 43 5.485 17.522 1.541 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.750 16.233 2.698 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.269 18.062 1.444 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.999 16.889 1.867 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.217 17.358 3.077 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.349 16.097 0.854 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.282 14.673 0.861 1.00 0.00 H new ATOM 0 HD13 ILE B 43 6.012 15.982 -0.315 1.00 0.00 H new ATOM 1847 N LEU B 44 1.305 14.494 3.018 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.105 14.320 2.750 1.00 0.00 C ATOM 1849 C LEU B 44 -0.483 15.277 1.637 1.00 0.00 C ATOM 1850 O LEU B 44 -0.151 16.461 1.694 1.00 0.00 O ATOM 1851 CB LEU B 44 -0.939 14.593 4.004 1.00 0.00 C ATOM 1852 CG LEU B 44 -2.431 14.282 3.875 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -2.648 12.794 3.654 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -3.179 14.755 5.111 1.00 0.00 C ATOM 0 H LEU B 44 1.528 14.765 3.976 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.305 13.291 2.451 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -0.532 14.005 4.827 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -0.825 15.643 4.275 1.00 0.00 H new ATOM 0 HG LEU B 44 -2.823 14.817 3.010 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -3.715 12.591 3.565 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -2.142 12.484 2.740 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -2.243 12.238 4.499 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.239 14.527 5.004 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -2.785 14.247 5.991 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.049 15.831 5.225 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.173 14.769 0.634 1.00 0.00 N ATOM 1867 CA ARG B 45 -1.363 15.507 -0.608 1.00 0.00 C ATOM 1868 C ARG B 45 -2.299 16.700 -0.431 1.00 0.00 C ATOM 1869 O ARG B 45 -2.564 17.435 -1.382 1.00 0.00 O ATOM 1870 CB ARG B 45 -1.874 14.562 -1.689 1.00 0.00 C ATOM 1871 CG ARG B 45 -1.224 14.794 -3.039 1.00 0.00 C ATOM 1872 CD ARG B 45 -2.136 15.551 -3.977 1.00 0.00 C ATOM 1873 NE ARG B 45 -3.365 14.807 -4.204 1.00 0.00 N ATOM 1874 CZ ARG B 45 -4.447 15.290 -4.812 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -4.484 16.557 -5.214 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -5.507 14.505 -4.983 1.00 0.00 N ATOM 0 H ARG B 45 -1.613 13.849 0.651 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.399 15.914 -0.913 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -1.694 13.533 -1.378 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -2.953 14.681 -1.787 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -0.297 15.351 -2.905 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -0.959 13.835 -3.485 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -2.369 16.529 -3.557 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -1.628 15.724 -4.926 1.00 0.00 H new ATOM 0 HE ARG B 45 -3.401 13.843 -3.873 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -3.680 17.165 -5.057 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -5.316 16.920 -5.679 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -5.487 13.541 -4.649 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -6.340 14.867 -5.448 1.00 0.00 H new ATOM 1890 N GLU B 46 -2.777 16.906 0.788 1.00 0.00 N ATOM 1891 CA GLU B 46 -3.610 18.062 1.087 1.00 0.00 C ATOM 1892 C GLU B 46 -2.733 19.243 1.483 1.00 0.00 C ATOM 1893 O GLU B 46 -3.208 20.366 1.657 1.00 0.00 O ATOM 1894 CB GLU B 46 -4.610 17.745 2.195 1.00 0.00 C ATOM 1895 CG GLU B 46 -5.640 16.708 1.791 1.00 0.00 C ATOM 1896 CD GLU B 46 -6.703 16.516 2.846 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -7.612 17.369 2.938 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -6.640 15.513 3.579 1.00 0.00 O ATOM 0 H GLU B 46 -2.603 16.291 1.583 1.00 0.00 H new ATOM 0 HA GLU B 46 -4.175 18.322 0.192 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -4.070 17.389 3.072 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -5.122 18.662 2.487 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -6.110 17.011 0.855 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.141 15.757 1.604 1.00 0.00 H new ATOM 1905 N ASN B 47 -1.445 18.968 1.626 1.00 0.00 N ATOM 1906 CA ASN B 47 -0.460 19.998 1.916 1.00 0.00 C ATOM 1907 C ASN B 47 0.686 19.872 0.916 1.00 0.00 C ATOM 1908 O ASN B 47 1.792 20.371 1.134 1.00 0.00 O ATOM 1909 CB ASN B 47 0.049 19.852 3.357 1.00 0.00 C ATOM 1910 CG ASN B 47 0.731 21.108 3.883 1.00 0.00 C ATOM 1911 OD1 ASN B 47 2.046 21.184 3.745 1.00 0.00 O flip ATOM 1912 ND2 ASN B 47 0.079 21.997 4.426 1.00 0.00 N flip ATOM 0 H ASN B 47 -1.055 18.029 1.545 1.00 0.00 H new ATOM 0 HA ASN B 47 -0.912 20.986 1.822 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -0.789 19.602 4.008 1.00 0.00 H new ATOM 0 HB3 ASN B 47 0.750 19.019 3.405 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -0.933 21.905 4.515 1.00 0.00 H new ATOM 0 HD22 ASN B 47 0.550 22.827 4.787 1.00 0.00 H new ATOM 1919 N LEU B 48 0.403 19.212 -0.200 1.00 0.00 N ATOM 1920 CA LEU B 48 1.411 18.983 -1.221 1.00 0.00 C ATOM 1921 C LEU B 48 1.734 20.285 -1.933 1.00 0.00 C ATOM 1922 O LEU B 48 2.888 20.561 -2.255 1.00 0.00 O ATOM 1923 CB LEU B 48 0.940 17.944 -2.246 1.00 0.00 C ATOM 1924 CG LEU B 48 1.952 17.670 -3.359 1.00 0.00 C ATOM 1925 CD1 LEU B 48 3.207 17.026 -2.793 1.00 0.00 C ATOM 1926 CD2 LEU B 48 1.337 16.801 -4.439 1.00 0.00 C ATOM 0 H LEU B 48 -0.516 18.827 -0.419 1.00 0.00 H new ATOM 0 HA LEU B 48 2.305 18.600 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU B 48 0.722 17.010 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU B 48 0.007 18.286 -2.693 1.00 0.00 H new ATOM 0 HG LEU B 48 2.233 18.621 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU B 48 3.915 16.839 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.660 17.694 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU B 48 2.947 16.083 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU B 48 2.073 16.618 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU B 48 1.023 15.851 -4.007 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.472 17.309 -4.866 1.00 0.00 H new ATOM 1938 N GLU B 49 0.701 21.082 -2.154 1.00 0.00 N ATOM 1939 CA GLU B 49 0.826 22.347 -2.863 1.00 0.00 C ATOM 1940 C GLU B 49 1.888 23.232 -2.218 1.00 0.00 C ATOM 1941 O GLU B 49 2.721 23.823 -2.906 1.00 0.00 O ATOM 1942 CB GLU B 49 -0.515 23.091 -2.893 1.00 0.00 C ATOM 1943 CG GLU B 49 -1.703 22.222 -3.281 1.00 0.00 C ATOM 1944 CD GLU B 49 -2.376 21.573 -2.084 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -1.770 20.676 -1.462 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -3.512 21.965 -1.755 1.00 0.00 O ATOM 0 H GLU B 49 -0.249 20.871 -1.847 1.00 0.00 H new ATOM 0 HA GLU B 49 1.129 22.122 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -0.701 23.522 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -0.441 23.921 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -2.432 22.830 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -1.369 21.445 -3.969 1.00 0.00 H new ATOM 1953 N ARG B 50 1.861 23.307 -0.893 1.00 0.00 N ATOM 1954 CA ARG B 50 2.831 24.103 -0.156 1.00 0.00 C ATOM 1955 C ARG B 50 4.242 23.561 -0.349 1.00 0.00 C ATOM 1956 O ARG B 50 5.179 24.320 -0.613 1.00 0.00 O ATOM 1957 CB ARG B 50 2.487 24.130 1.334 1.00 0.00 C ATOM 1958 CG ARG B 50 3.446 24.974 2.157 1.00 0.00 C ATOM 1959 CD ARG B 50 3.506 26.397 1.635 1.00 0.00 C ATOM 1960 NE ARG B 50 4.404 27.237 2.419 1.00 0.00 N ATOM 1961 CZ ARG B 50 4.124 28.492 2.761 1.00 0.00 C ATOM 1962 NH1 ARG B 50 3.002 29.061 2.336 1.00 0.00 N ATOM 1963 NH2 ARG B 50 4.968 29.179 3.518 1.00 0.00 N ATOM 0 H ARG B 50 1.178 22.826 -0.308 1.00 0.00 H new ATOM 0 HA ARG B 50 2.791 25.119 -0.548 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.475 24.516 1.459 1.00 0.00 H new ATOM 0 HB3 ARG B 50 2.489 23.110 1.719 1.00 0.00 H new ATOM 0 HG2 ARG B 50 3.128 24.979 3.200 1.00 0.00 H new ATOM 0 HG3 ARG B 50 4.441 24.531 2.129 1.00 0.00 H new ATOM 0 HD2 ARG B 50 3.836 26.387 0.596 1.00 0.00 H new ATOM 0 HD3 ARG B 50 2.505 26.829 1.647 1.00 0.00 H new ATOM 0 HE ARG B 50 5.294 26.841 2.721 1.00 0.00 H new ATOM 0 HH11 ARG B 50 2.355 28.536 1.748 1.00 0.00 H new ATOM 0 HH12 ARG B 50 2.787 30.023 2.598 1.00 0.00 H new ATOM 0 HH21 ARG B 50 5.834 28.746 3.839 1.00 0.00 H new ATOM 0 HH22 ARG B 50 4.752 30.141 3.779 1.00 0.00 H new ATOM 1977 N TYR B 51 4.390 22.251 -0.229 1.00 0.00 N ATOM 1978 CA TYR B 51 5.706 21.637 -0.317 1.00 0.00 C ATOM 1979 C TYR B 51 6.239 21.744 -1.744 1.00 0.00 C ATOM 1980 O TYR B 51 7.436 21.899 -1.954 1.00 0.00 O ATOM 1981 CB TYR B 51 5.663 20.177 0.140 1.00 0.00 C ATOM 1982 CG TYR B 51 6.963 19.707 0.766 1.00 0.00 C ATOM 1983 CD1 TYR B 51 7.985 19.177 -0.011 1.00 0.00 C ATOM 1984 CD2 TYR B 51 7.167 19.805 2.138 1.00 0.00 C ATOM 1985 CE1 TYR B 51 9.175 18.762 0.560 1.00 0.00 C ATOM 1986 CE2 TYR B 51 8.353 19.389 2.716 1.00 0.00 C ATOM 1987 CZ TYR B 51 9.355 18.870 1.923 1.00 0.00 C ATOM 1988 OH TYR B 51 10.543 18.463 2.492 1.00 0.00 O ATOM 0 H TYR B 51 3.623 21.597 -0.072 1.00 0.00 H new ATOM 0 HA TYR B 51 6.382 22.172 0.350 1.00 0.00 H new ATOM 0 HB2 TYR B 51 4.855 20.052 0.861 1.00 0.00 H new ATOM 0 HB3 TYR B 51 5.429 19.542 -0.715 1.00 0.00 H new ATOM 0 HD1 TYR B 51 7.849 19.087 -1.079 1.00 0.00 H new ATOM 0 HD2 TYR B 51 6.386 20.213 2.763 1.00 0.00 H new ATOM 0 HE1 TYR B 51 9.960 18.355 -0.060 1.00 0.00 H new ATOM 0 HE2 TYR B 51 8.494 19.470 3.784 1.00 0.00 H new ATOM 0 HH TYR B 51 10.358 17.838 3.224 1.00 0.00 H new ATOM 1998 N LEU B 52 5.342 21.694 -2.724 1.00 0.00 N ATOM 1999 CA LEU B 52 5.735 21.869 -4.117 1.00 0.00 C ATOM 2000 C LEU B 52 6.082 23.325 -4.406 1.00 0.00 C ATOM 2001 O LEU B 52 6.887 23.612 -5.283 1.00 0.00 O ATOM 2002 CB LEU B 52 4.637 21.405 -5.075 1.00 0.00 C ATOM 2003 CG LEU B 52 4.345 19.902 -5.067 1.00 0.00 C ATOM 2004 CD1 LEU B 52 3.362 19.551 -6.170 1.00 0.00 C ATOM 2005 CD2 LEU B 52 5.626 19.100 -5.232 1.00 0.00 C ATOM 0 H LEU B 52 4.345 21.535 -2.581 1.00 0.00 H new ATOM 0 HA LEU B 52 6.618 21.251 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU B 52 3.718 21.937 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.915 21.698 -6.087 1.00 0.00 H new ATOM 0 HG LEU B 52 3.903 19.646 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU B 52 3.163 18.479 -6.153 1.00 0.00 H new ATOM 0 HD12 LEU B 52 2.431 20.095 -6.014 1.00 0.00 H new ATOM 0 HD13 LEU B 52 3.786 19.826 -7.136 1.00 0.00 H new ATOM 0 HD21 LEU B 52 5.392 18.035 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.099 19.360 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU B 52 6.307 19.329 -4.412 1.00 0.00 H new ATOM 2017 N ARG B 53 5.471 24.242 -3.671 1.00 0.00 N ATOM 2018 CA ARG B 53 5.774 25.659 -3.833 1.00 0.00 C ATOM 2019 C ARG B 53 7.224 25.930 -3.447 1.00 0.00 C ATOM 2020 O ARG B 53 7.928 26.690 -4.108 1.00 0.00 O ATOM 2021 CB ARG B 53 4.856 26.516 -2.960 1.00 0.00 C ATOM 2022 CG ARG B 53 4.922 28.000 -3.285 1.00 0.00 C ATOM 2023 CD ARG B 53 4.821 28.857 -2.033 1.00 0.00 C ATOM 2024 NE ARG B 53 6.067 28.849 -1.262 1.00 0.00 N ATOM 2025 CZ ARG B 53 6.411 29.799 -0.388 1.00 0.00 C ATOM 2026 NH1 ARG B 53 5.583 30.799 -0.129 1.00 0.00 N ATOM 2027 NH2 ARG B 53 7.580 29.744 0.240 1.00 0.00 N ATOM 0 H ARG B 53 4.768 24.035 -2.962 1.00 0.00 H new ATOM 0 HA ARG B 53 5.614 25.921 -4.879 1.00 0.00 H new ATOM 0 HB2 ARG B 53 3.829 26.171 -3.079 1.00 0.00 H new ATOM 0 HB3 ARG B 53 5.122 26.369 -1.913 1.00 0.00 H new ATOM 0 HG2 ARG B 53 5.857 28.218 -3.800 1.00 0.00 H new ATOM 0 HG3 ARG B 53 4.114 28.259 -3.969 1.00 0.00 H new ATOM 0 HD2 ARG B 53 4.574 29.881 -2.313 1.00 0.00 H new ATOM 0 HD3 ARG B 53 4.006 28.492 -1.408 1.00 0.00 H new ATOM 0 HE ARG B 53 6.711 28.070 -1.401 1.00 0.00 H new ATOM 0 HH11 ARG B 53 4.678 30.846 -0.597 1.00 0.00 H new ATOM 0 HH12 ARG B 53 5.850 31.522 0.539 1.00 0.00 H new ATOM 0 HH21 ARG B 53 8.222 28.973 0.056 1.00 0.00 H new ATOM 0 HH22 ARG B 53 7.836 30.473 0.906 1.00 0.00 H new ATOM 2041 N GLU B 54 7.661 25.300 -2.366 1.00 0.00 N ATOM 2042 CA GLU B 54 9.004 25.518 -1.848 1.00 0.00 C ATOM 2043 C GLU B 54 10.013 24.527 -2.441 1.00 0.00 C ATOM 2044 O GLU B 54 11.050 24.931 -2.966 1.00 0.00 O ATOM 2045 CB GLU B 54 8.986 25.439 -0.317 1.00 0.00 C ATOM 2046 CG GLU B 54 8.079 26.487 0.319 1.00 0.00 C ATOM 2047 CD GLU B 54 8.095 26.465 1.836 1.00 0.00 C ATOM 2048 OE1 GLU B 54 9.184 26.613 2.425 1.00 0.00 O ATOM 2049 OE2 GLU B 54 7.016 26.323 2.449 1.00 0.00 O ATOM 0 H GLU B 54 7.105 24.633 -1.830 1.00 0.00 H new ATOM 0 HA GLU B 54 9.329 26.514 -2.149 1.00 0.00 H new ATOM 0 HB2 GLU B 54 8.655 24.446 -0.013 1.00 0.00 H new ATOM 0 HB3 GLU B 54 10.001 25.566 0.061 1.00 0.00 H new ATOM 0 HG2 GLU B 54 8.383 27.476 -0.025 1.00 0.00 H new ATOM 0 HG3 GLU B 54 7.058 26.330 -0.027 1.00 0.00 H new ATOM 2056 N GLN B 55 9.695 23.239 -2.386 1.00 0.00 N ATOM 2057 CA GLN B 55 10.624 22.198 -2.821 1.00 0.00 C ATOM 2058 C GLN B 55 10.371 21.797 -4.278 1.00 0.00 C ATOM 2059 O GLN B 55 11.291 21.815 -5.100 1.00 0.00 O ATOM 2060 CB GLN B 55 10.500 20.978 -1.911 1.00 0.00 C ATOM 2061 CG GLN B 55 11.555 19.916 -2.159 1.00 0.00 C ATOM 2062 CD GLN B 55 12.936 20.332 -1.697 1.00 0.00 C ATOM 2063 OE1 GLN B 55 13.293 21.513 -1.711 1.00 0.00 O ATOM 2064 NE2 GLN B 55 13.719 19.358 -1.271 1.00 0.00 N ATOM 0 H GLN B 55 8.800 22.888 -2.044 1.00 0.00 H new ATOM 0 HA GLN B 55 11.636 22.598 -2.755 1.00 0.00 H new ATOM 0 HB2 GLN B 55 10.563 21.304 -0.873 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.513 20.535 -2.046 1.00 0.00 H new ATOM 0 HG2 GLN B 55 11.267 18.999 -1.645 1.00 0.00 H new ATOM 0 HG3 GLN B 55 11.588 19.687 -3.224 1.00 0.00 H new ATOM 0 HE21 GLN B 55 13.384 18.395 -1.277 1.00 0.00 H new ATOM 0 HE22 GLN B 55 14.659 19.569 -0.936 1.00 0.00 H new ATOM 2073 N LEU B 56 9.125 21.420 -4.576 1.00 0.00 N ATOM 2074 CA LEU B 56 8.675 21.136 -5.949 1.00 0.00 C ATOM 2075 C LEU B 56 9.198 19.790 -6.465 1.00 0.00 C ATOM 2076 O LEU B 56 9.453 19.629 -7.654 1.00 0.00 O ATOM 2077 CB LEU B 56 9.082 22.276 -6.901 1.00 0.00 C ATOM 2078 CG LEU B 56 8.460 22.228 -8.303 1.00 0.00 C ATOM 2079 CD1 LEU B 56 6.949 22.392 -8.234 1.00 0.00 C ATOM 2080 CD2 LEU B 56 9.072 23.295 -9.194 1.00 0.00 C ATOM 0 H LEU B 56 8.395 21.302 -3.873 1.00 0.00 H new ATOM 0 HA LEU B 56 7.587 21.070 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU B 56 8.813 23.225 -6.437 1.00 0.00 H new ATOM 0 HB3 LEU B 56 10.167 22.268 -7.005 1.00 0.00 H new ATOM 0 HG LEU B 56 8.675 21.251 -8.735 1.00 0.00 H new ATOM 0 HD11 LEU B 56 6.533 22.354 -9.241 1.00 0.00 H new ATOM 0 HD12 LEU B 56 6.523 21.588 -7.635 1.00 0.00 H new ATOM 0 HD13 LEU B 56 6.708 23.352 -7.777 1.00 0.00 H new ATOM 0 HD21 LEU B 56 8.619 23.246 -10.184 1.00 0.00 H new ATOM 0 HD22 LEU B 56 8.891 24.279 -8.760 1.00 0.00 H new ATOM 0 HD23 LEU B 56 10.146 23.127 -9.278 1.00 0.00 H new ATOM 2092 N GLY B 57 9.334 18.817 -5.574 1.00 0.00 N ATOM 2093 CA GLY B 57 9.678 17.466 -5.995 1.00 0.00 C ATOM 2094 C GLY B 57 11.167 17.244 -6.164 1.00 0.00 C ATOM 2095 O GLY B 57 11.619 16.104 -6.309 1.00 0.00 O ATOM 0 H GLY B 57 9.213 18.935 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY B 57 9.294 16.757 -5.261 1.00 0.00 H new ATOM 0 HA3 GLY B 57 9.177 17.250 -6.939 1.00 0.00 H new ATOM 2099 N PHE B 58 11.931 18.322 -6.137 1.00 0.00 N ATOM 2100 CA PHE B 58 13.358 18.237 -6.387 1.00 0.00 C ATOM 2101 C PHE B 58 14.153 18.387 -5.102 1.00 0.00 C ATOM 2102 O PHE B 58 14.221 19.476 -4.530 1.00 0.00 O ATOM 2103 CB PHE B 58 13.799 19.318 -7.379 1.00 0.00 C ATOM 2104 CG PHE B 58 13.063 19.284 -8.687 1.00 0.00 C ATOM 2105 CD1 PHE B 58 13.249 18.238 -9.575 1.00 0.00 C ATOM 2106 CD2 PHE B 58 12.189 20.303 -9.026 1.00 0.00 C ATOM 2107 CE1 PHE B 58 12.572 18.209 -10.778 1.00 0.00 C ATOM 2108 CE2 PHE B 58 11.510 20.279 -10.230 1.00 0.00 C ATOM 2109 CZ PHE B 58 11.704 19.232 -11.107 1.00 0.00 C ATOM 0 H PHE B 58 11.588 19.263 -5.945 1.00 0.00 H new ATOM 0 HA PHE B 58 13.554 17.252 -6.810 1.00 0.00 H new ATOM 0 HB2 PHE B 58 13.658 20.297 -6.920 1.00 0.00 H new ATOM 0 HB3 PHE B 58 14.866 19.206 -7.571 1.00 0.00 H new ATOM 0 HD1 PHE B 58 13.930 17.438 -9.324 1.00 0.00 H new ATOM 0 HD2 PHE B 58 12.036 21.125 -8.343 1.00 0.00 H new ATOM 0 HE1 PHE B 58 12.721 17.386 -11.462 1.00 0.00 H new ATOM 0 HE2 PHE B 58 10.829 21.078 -10.483 1.00 0.00 H new ATOM 0 HZ PHE B 58 11.178 19.212 -12.050 1.00 0.00 H new ATOM 2119 N GLU B 59 14.770 17.303 -4.659 1.00 0.00 N ATOM 2120 CA GLU B 59 15.711 17.388 -3.556 1.00 0.00 C ATOM 2121 C GLU B 59 17.104 17.594 -4.120 1.00 0.00 C ATOM 2122 O GLU B 59 17.747 16.659 -4.599 1.00 0.00 O ATOM 2123 CB GLU B 59 15.658 16.127 -2.690 1.00 0.00 C ATOM 2124 CG GLU B 59 14.982 16.338 -1.342 1.00 0.00 C ATOM 2125 CD GLU B 59 15.825 17.158 -0.377 1.00 0.00 C ATOM 2126 OE1 GLU B 59 16.265 18.271 -0.747 1.00 0.00 O ATOM 2127 OE2 GLU B 59 16.066 16.686 0.755 1.00 0.00 O ATOM 0 H GLU B 59 14.638 16.366 -5.041 1.00 0.00 H new ATOM 0 HA GLU B 59 15.445 18.231 -2.918 1.00 0.00 H new ATOM 0 HB2 GLU B 59 15.128 15.345 -3.234 1.00 0.00 H new ATOM 0 HB3 GLU B 59 16.674 15.767 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU B 59 14.026 16.838 -1.496 1.00 0.00 H new ATOM 0 HG3 GLU B 59 14.766 15.368 -0.894 1.00 0.00 H new ATOM 2134 N PHE B 60 17.560 18.832 -4.054 1.00 0.00 N ATOM 2135 CA PHE B 60 18.790 19.242 -4.711 1.00 0.00 C ATOM 2136 C PHE B 60 19.953 19.161 -3.737 1.00 0.00 C ATOM 2137 O PHE B 60 20.034 19.948 -2.793 1.00 0.00 O ATOM 2138 CB PHE B 60 18.633 20.675 -5.230 1.00 0.00 C ATOM 2139 CG PHE B 60 19.272 20.917 -6.568 1.00 0.00 C ATOM 2140 CD1 PHE B 60 20.628 21.178 -6.672 1.00 0.00 C ATOM 2141 CD2 PHE B 60 18.507 20.891 -7.724 1.00 0.00 C ATOM 2142 CE1 PHE B 60 21.209 21.406 -7.906 1.00 0.00 C ATOM 2143 CE2 PHE B 60 19.083 21.116 -8.959 1.00 0.00 C ATOM 2144 CZ PHE B 60 20.436 21.376 -9.050 1.00 0.00 C ATOM 0 H PHE B 60 17.090 19.581 -3.545 1.00 0.00 H new ATOM 0 HA PHE B 60 18.993 18.576 -5.549 1.00 0.00 H new ATOM 0 HB2 PHE B 60 17.571 20.911 -5.299 1.00 0.00 H new ATOM 0 HB3 PHE B 60 19.066 21.363 -4.503 1.00 0.00 H new ATOM 0 HD1 PHE B 60 21.238 21.204 -5.781 1.00 0.00 H new ATOM 0 HD2 PHE B 60 17.447 20.692 -7.658 1.00 0.00 H new ATOM 0 HE1 PHE B 60 22.268 21.608 -7.975 1.00 0.00 H new ATOM 0 HE2 PHE B 60 18.476 21.089 -9.852 1.00 0.00 H new ATOM 0 HZ PHE B 60 20.889 21.556 -10.014 1.00 0.00 H new ATOM 2154 N LYS B 61 20.844 18.207 -3.956 1.00 0.00 N ATOM 2155 CA LYS B 61 21.965 18.006 -3.050 1.00 0.00 C ATOM 2156 C LYS B 61 23.292 18.273 -3.746 1.00 0.00 C ATOM 2157 O LYS B 61 23.821 17.415 -4.450 1.00 0.00 O ATOM 2158 CB LYS B 61 21.966 16.582 -2.490 1.00 0.00 C ATOM 2159 CG LYS B 61 20.662 16.164 -1.831 1.00 0.00 C ATOM 2160 CD LYS B 61 20.305 17.055 -0.651 1.00 0.00 C ATOM 2161 CE LYS B 61 19.028 16.587 0.023 1.00 0.00 C ATOM 2162 NZ LYS B 61 18.553 17.535 1.066 1.00 0.00 N ATOM 0 H LYS B 61 20.814 17.564 -4.747 1.00 0.00 H new ATOM 0 HA LYS B 61 21.848 18.715 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS B 61 22.189 15.887 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS B 61 22.772 16.492 -1.762 1.00 0.00 H new ATOM 0 HG2 LYS B 61 19.858 16.198 -2.566 1.00 0.00 H new ATOM 0 HG3 LYS B 61 20.742 15.131 -1.493 1.00 0.00 H new ATOM 0 HD2 LYS B 61 21.122 17.052 0.070 1.00 0.00 H new ATOM 0 HD3 LYS B 61 20.184 18.083 -0.992 1.00 0.00 H new ATOM 0 HE2 LYS B 61 18.250 16.460 -0.729 1.00 0.00 H new ATOM 0 HE3 LYS B 61 19.197 15.610 0.475 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 17.613 17.241 1.400 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 19.219 17.535 1.864 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 18.494 18.492 0.664 1.00 0.00 H new ATOM 2176 N ASN B 62 23.820 19.470 -3.564 1.00 0.00 N ATOM 2177 CA ASN B 62 25.148 19.778 -4.060 1.00 0.00 C ATOM 2178 C ASN B 62 26.178 19.342 -3.039 1.00 0.00 C ATOM 2179 O ASN B 62 25.845 19.137 -1.870 1.00 0.00 O ATOM 2180 CB ASN B 62 25.318 21.273 -4.347 1.00 0.00 C ATOM 2181 CG ASN B 62 24.504 21.749 -5.529 1.00 0.00 C ATOM 2182 OD1 ASN B 62 23.407 22.285 -5.371 1.00 0.00 O ATOM 2183 ND2 ASN B 62 25.036 21.547 -6.724 1.00 0.00 N ATOM 0 H ASN B 62 23.354 20.238 -3.081 1.00 0.00 H new ATOM 0 HA ASN B 62 25.289 19.240 -4.997 1.00 0.00 H new ATOM 0 HB2 ASN B 62 25.029 21.841 -3.463 1.00 0.00 H new ATOM 0 HB3 ASN B 62 26.371 21.484 -4.531 1.00 0.00 H new ATOM 0 HD21 ASN B 62 24.534 21.840 -7.562 1.00 0.00 H new ATOM 0 HD22 ASN B 62 25.948 21.099 -6.807 1.00 0.00 H new ATOM 2190 N ALA B 63 27.427 19.226 -3.462 1.00 0.00 N ATOM 2191 CA ALA B 63 28.502 18.848 -2.552 1.00 0.00 C ATOM 2192 C ALA B 63 28.917 20.024 -1.672 1.00 0.00 C ATOM 2193 O ALA B 63 29.929 19.968 -0.968 1.00 0.00 O ATOM 2194 CB ALA B 63 29.692 18.305 -3.320 1.00 0.00 C ATOM 0 H ALA B 63 27.723 19.387 -4.425 1.00 0.00 H new ATOM 0 HA ALA B 63 28.127 18.058 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA B 63 30.481 18.030 -2.621 1.00 0.00 H new ATOM 0 HB2 ALA B 63 29.388 17.426 -3.888 1.00 0.00 H new ATOM 0 HB3 ALA B 63 30.063 19.069 -4.004 1.00 0.00 H new ATOM 2200 N GLN B 64 28.127 21.087 -1.705 1.00 0.00 N ATOM 2201 CA GLN B 64 28.344 22.223 -0.831 1.00 0.00 C ATOM 2202 C GLN B 64 27.715 21.942 0.532 1.00 0.00 C ATOM 2203 O GLN B 64 26.609 22.395 0.833 1.00 0.00 O ATOM 2204 CB GLN B 64 27.769 23.507 -1.444 1.00 0.00 C ATOM 2205 CG GLN B 64 27.967 24.745 -0.578 1.00 0.00 C ATOM 2206 CD GLN B 64 27.378 26.004 -1.196 1.00 0.00 C ATOM 2207 OE1 GLN B 64 27.394 26.088 -2.518 1.00 0.00 O flip ATOM 2208 NE2 GLN B 64 26.922 26.901 -0.486 1.00 0.00 N flip ATOM 0 H GLN B 64 27.328 21.184 -2.331 1.00 0.00 H new ATOM 0 HA GLN B 64 29.416 22.373 -0.705 1.00 0.00 H new ATOM 0 HB2 GLN B 64 28.236 23.676 -2.414 1.00 0.00 H new ATOM 0 HB3 GLN B 64 26.703 23.367 -1.623 1.00 0.00 H new ATOM 0 HG2 GLN B 64 27.509 24.577 0.397 1.00 0.00 H new ATOM 0 HG3 GLN B 64 29.033 24.895 -0.407 1.00 0.00 H new ATOM 0 HE21 GLN B 64 26.927 26.800 0.529 1.00 0.00 H new ATOM 0 HE22 GLN B 64 26.539 27.745 -0.913 1.00 0.00 H new ATOM 2217 N LEU B 65 28.398 21.123 1.319 1.00 0.00 N ATOM 2218 CA LEU B 65 27.959 20.818 2.675 1.00 0.00 C ATOM 2219 C LEU B 65 28.795 21.600 3.674 1.00 0.00 C ATOM 2220 O LEU B 65 28.499 21.621 4.872 1.00 0.00 O ATOM 2221 CB LEU B 65 28.064 19.313 2.978 1.00 0.00 C ATOM 2222 CG LEU B 65 27.109 18.390 2.204 1.00 0.00 C ATOM 2223 CD1 LEU B 65 25.724 19.004 2.089 1.00 0.00 C ATOM 2224 CD2 LEU B 65 27.664 18.053 0.831 1.00 0.00 C ATOM 0 H LEU B 65 29.261 20.656 1.041 1.00 0.00 H new ATOM 0 HA LEU B 65 26.912 21.107 2.761 1.00 0.00 H new ATOM 0 HB2 LEU B 65 29.086 18.994 2.774 1.00 0.00 H new ATOM 0 HB3 LEU B 65 27.891 19.167 4.044 1.00 0.00 H new ATOM 0 HG LEU B 65 27.020 17.462 2.769 1.00 0.00 H new ATOM 0 HD11 LEU B 65 25.071 18.328 1.537 1.00 0.00 H new ATOM 0 HD12 LEU B 65 25.315 19.169 3.086 1.00 0.00 H new ATOM 0 HD13 LEU B 65 25.791 19.956 1.562 1.00 0.00 H new ATOM 0 HD21 LEU B 65 26.967 17.399 0.307 1.00 0.00 H new ATOM 0 HD22 LEU B 65 27.801 18.970 0.259 1.00 0.00 H new ATOM 0 HD23 LEU B 65 28.623 17.547 0.940 1.00 0.00 H new