USER MOD reduce.3.24.130724 H: found=0, std=0, add=1134, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1136 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 83 ASN : amide:sc= 0.227 K(o=0.82,f=0.14) USER MOD Set 1.2: B 84 HIS : no HD1:sc= 0.588 K(o=0.82,f=-4.1!) USER MOD Set 2.1: B 23 THR OG1 : rot 68:sc= 1.25 USER MOD Set 2.2: B 67 HIS : no HD1:sc= -0.0176 X(o=1.2,f=1.2) USER MOD Set 3.1: B 37 ASN : amide:sc= 0.156 K(o=-0.81,f=-2) USER MOD Set 3.2: B 40 ASN : amide:sc= -0.964 K(o=-0.81,f=-2.5!) USER MOD Set 4.1: A 83 ASN : amide:sc= -0.904! K(o=-0.099!,f=-0.75) USER MOD Set 4.2: A 84 HIS : +bothHN:sc= 0.805 K(o=-0.099,f=-8.5!) USER MOD Set 5.1: A 73 MET CE :methyl -104:sc= -2.99 (180deg=-3.66!) USER MOD Set 5.2: A 77 THR OG1 : rot 79:sc= 0.782 USER MOD Set 6.1: A 48 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 7.1: A 37 ASN : amide:sc= 1.16 K(o=0.71,f=-2.1) USER MOD Set 7.2: A 40 ASN : amide:sc= -0.45 K(o=0.71,f=-3.3!) USER MOD Set 8.1: A 23 THR OG1 : rot -152:sc= 1.3 USER MOD Set 8.2: A 67 HIS : no HE2:sc= -0.389 K(o=0.91,f=-7.4!) USER MOD Single : A 21 SER OG : rot 73:sc= 1.02 USER MOD Single : A 26 THR OG1 : rot 76:sc= 0.28 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.311 X(o=0.31,f=-0.03) USER MOD Single : A 45 TYR OH : rot 30:sc= 0.309 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0792 X(o=-0.079,f=0.03) USER MOD Single : A 62 ASN : amide:sc= 0.728 K(o=0.73,f=-7!) USER MOD Single : A 78 LYS NZ :NH3+ -115:sc= -0.0714 (180deg=-2.29!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -15:sc= -0.0353 USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 74:sc= 1.2 USER MOD Single : B 28 TYR OH : rot 59:sc= -0.0893 USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 41 GLN : amide:sc= -0.0426 X(o=-0.043,f=-0.048) USER MOD Single : B 45 TYR OH : rot 180:sc= -1.29! USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 58 GLN :FLIP amide:sc= 0.743 F(o=-0.047,f=0.74) USER MOD Single : B 62 ASN : amide:sc= 0.531 K(o=0.53,f=-5.3!) USER MOD Single : B 73 MET CE :methyl 176:sc= -2.86 (180deg=-2.9!) USER MOD Single : B 77 THR OG1 : rot 76:sc= 0.929 USER MOD Single : B 78 LYS NZ :NH3+ -117:sc= 0.268 (180deg=-2.58!) USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 TYR OH : rot 0:sc= -0.167 USER MOD ----------------------------------------------------------------- ATOM 300 N ALA A 19 13.563 1.461 5.492 1.00 24.12 N ATOM 301 CA ALA A 19 13.284 1.671 6.875 1.00 41.24 C ATOM 302 C ALA A 19 11.821 1.358 7.112 1.00 24.00 C ATOM 303 O ALA A 19 11.432 0.854 8.164 1.00 34.45 O ATOM 304 CB ALA A 19 13.536 3.096 7.211 1.00 21.34 C ATOM 0 HA ALA A 19 13.916 1.034 7.493 1.00 41.24 H new ATOM 0 HB1 ALA A 19 13.325 3.264 8.267 1.00 21.34 H new ATOM 0 HB2 ALA A 19 14.579 3.339 7.007 1.00 21.34 H new ATOM 0 HB3 ALA A 19 12.890 3.732 6.606 1.00 21.34 H new ATOM 310 N ILE A 20 11.023 1.645 6.085 1.00 21.21 N ATOM 311 CA ILE A 20 9.589 1.448 6.102 1.00 44.34 C ATOM 312 C ILE A 20 9.265 -0.040 6.091 1.00 3.53 C ATOM 313 O ILE A 20 8.284 -0.481 6.692 1.00 51.11 O ATOM 314 CB ILE A 20 8.911 2.146 4.881 1.00 40.50 C ATOM 315 CG1 ILE A 20 9.218 3.649 4.879 1.00 3.04 C ATOM 316 CG2 ILE A 20 7.405 1.914 4.876 1.00 72.33 C ATOM 317 CD1 ILE A 20 8.582 4.407 3.730 1.00 32.44 C ATOM 0 H ILE A 20 11.369 2.028 5.205 1.00 21.21 H new ATOM 0 HA ILE A 20 9.197 1.897 7.015 1.00 44.34 H new ATOM 0 HB ILE A 20 9.324 1.703 3.975 1.00 40.50 H new ATOM 0 HG12 ILE A 20 8.875 4.081 5.819 1.00 3.04 H new ATOM 0 HG13 ILE A 20 10.298 3.789 4.839 1.00 3.04 H new ATOM 0 HG21 ILE A 20 6.963 2.413 4.014 1.00 72.33 H new ATOM 0 HG22 ILE A 20 7.202 0.845 4.820 1.00 72.33 H new ATOM 0 HG23 ILE A 20 6.972 2.318 5.791 1.00 72.33 H new ATOM 0 HD11 ILE A 20 8.846 5.462 3.800 1.00 32.44 H new ATOM 0 HD12 ILE A 20 8.943 4.004 2.784 1.00 32.44 H new ATOM 0 HD13 ILE A 20 7.498 4.301 3.779 1.00 32.44 H new ATOM 329 N SER A 21 10.110 -0.812 5.441 1.00 64.43 N ATOM 330 CA SER A 21 9.863 -2.244 5.301 1.00 30.11 C ATOM 331 C SER A 21 9.945 -2.936 6.633 1.00 14.50 C ATOM 332 O SER A 21 9.243 -3.922 6.887 1.00 31.24 O ATOM 333 CB SER A 21 10.806 -2.889 4.268 1.00 64.54 C ATOM 334 OG SER A 21 12.162 -2.679 4.588 1.00 43.30 O ATOM 0 H SER A 21 10.969 -0.482 5.002 1.00 64.43 H new ATOM 0 HA SER A 21 8.848 -2.368 4.923 1.00 30.11 H new ATOM 0 HB2 SER A 21 10.608 -3.959 4.215 1.00 64.54 H new ATOM 0 HB3 SER A 21 10.598 -2.477 3.281 1.00 64.54 H new ATOM 0 HG SER A 21 12.408 -3.239 5.354 1.00 43.30 H new ATOM 340 N GLU A 22 10.777 -2.397 7.491 1.00 33.01 N ATOM 341 CA GLU A 22 10.965 -2.939 8.803 1.00 62.53 C ATOM 342 C GLU A 22 9.774 -2.582 9.664 1.00 32.52 C ATOM 343 O GLU A 22 9.365 -3.349 10.526 1.00 74.31 O ATOM 344 CB GLU A 22 12.251 -2.398 9.411 1.00 50.42 C ATOM 345 CG GLU A 22 13.446 -2.533 8.481 1.00 61.31 C ATOM 346 CD GLU A 22 13.587 -3.925 7.926 1.00 10.01 C ATOM 347 OE1 GLU A 22 13.153 -4.167 6.756 1.00 65.33 O ATOM 348 OE2 GLU A 22 14.098 -4.798 8.629 1.00 71.44 O ATOM 0 H GLU A 22 11.340 -1.570 7.293 1.00 33.01 H new ATOM 0 HA GLU A 22 11.048 -4.024 8.744 1.00 62.53 H new ATOM 0 HB2 GLU A 22 12.113 -1.347 9.667 1.00 50.42 H new ATOM 0 HB3 GLU A 22 12.459 -2.928 10.341 1.00 50.42 H new ATOM 0 HG2 GLU A 22 13.344 -1.825 7.658 1.00 61.31 H new ATOM 0 HG3 GLU A 22 14.355 -2.266 9.020 1.00 61.31 H new ATOM 355 N THR A 23 9.205 -1.424 9.384 1.00 52.12 N ATOM 356 CA THR A 23 8.046 -0.945 10.080 1.00 52.14 C ATOM 357 C THR A 23 6.858 -1.886 9.835 1.00 4.21 C ATOM 358 O THR A 23 6.254 -2.401 10.776 1.00 35.43 O ATOM 359 CB THR A 23 7.685 0.456 9.560 1.00 33.14 C ATOM 360 OG1 THR A 23 8.803 1.340 9.720 1.00 22.11 O ATOM 361 CG2 THR A 23 6.485 1.013 10.284 1.00 24.00 C ATOM 0 H THR A 23 9.544 -0.791 8.660 1.00 52.12 H new ATOM 0 HA THR A 23 8.264 -0.906 11.147 1.00 52.14 H new ATOM 0 HB THR A 23 7.436 0.371 8.502 1.00 33.14 H new ATOM 0 HG1 THR A 23 8.480 2.259 9.828 1.00 22.11 H new ATOM 0 HG21 THR A 23 6.253 2.005 9.895 1.00 24.00 H new ATOM 0 HG22 THR A 23 5.630 0.354 10.131 1.00 24.00 H new ATOM 0 HG23 THR A 23 6.703 1.083 11.350 1.00 24.00 H new ATOM 369 N LEU A 24 6.570 -2.143 8.565 1.00 21.22 N ATOM 370 CA LEU A 24 5.452 -2.993 8.187 1.00 75.03 C ATOM 371 C LEU A 24 5.669 -4.443 8.587 1.00 5.41 C ATOM 372 O LEU A 24 4.711 -5.165 8.839 1.00 64.43 O ATOM 373 CB LEU A 24 5.038 -2.829 6.704 1.00 14.03 C ATOM 374 CG LEU A 24 4.263 -1.527 6.329 1.00 61.15 C ATOM 375 CD1 LEU A 24 5.048 -0.266 6.637 1.00 30.23 C ATOM 376 CD2 LEU A 24 3.848 -1.546 4.867 1.00 70.44 C ATOM 0 H LEU A 24 7.100 -1.772 7.777 1.00 21.22 H new ATOM 0 HA LEU A 24 4.596 -2.643 8.764 1.00 75.03 H new ATOM 0 HB2 LEU A 24 5.939 -2.876 6.093 1.00 14.03 H new ATOM 0 HB3 LEU A 24 4.420 -3.683 6.427 1.00 14.03 H new ATOM 0 HG LEU A 24 3.370 -1.508 6.954 1.00 61.15 H new ATOM 0 HD11 LEU A 24 4.459 0.607 6.355 1.00 30.23 H new ATOM 0 HD12 LEU A 24 5.269 -0.226 7.704 1.00 30.23 H new ATOM 0 HD13 LEU A 24 5.981 -0.272 6.074 1.00 30.23 H new ATOM 0 HD21 LEU A 24 3.310 -0.628 4.630 1.00 70.44 H new ATOM 0 HD22 LEU A 24 4.735 -1.619 4.238 1.00 70.44 H new ATOM 0 HD23 LEU A 24 3.201 -2.404 4.684 1.00 70.44 H new ATOM 388 N GLU A 25 6.934 -4.858 8.641 1.00 60.01 N ATOM 389 CA GLU A 25 7.299 -6.194 9.100 1.00 23.34 C ATOM 390 C GLU A 25 6.777 -6.370 10.543 1.00 50.15 C ATOM 391 O GLU A 25 6.094 -7.352 10.865 1.00 3.12 O ATOM 392 CB GLU A 25 8.847 -6.313 9.040 1.00 60.32 C ATOM 393 CG GLU A 25 9.469 -7.686 9.341 1.00 4.34 C ATOM 394 CD GLU A 25 9.315 -8.162 10.767 1.00 44.14 C ATOM 395 OE1 GLU A 25 8.613 -9.153 11.001 1.00 25.40 O ATOM 396 OE2 GLU A 25 9.903 -7.542 11.675 1.00 21.24 O ATOM 0 H GLU A 25 7.729 -4.280 8.369 1.00 60.01 H new ATOM 0 HA GLU A 25 6.861 -6.973 8.476 1.00 23.34 H new ATOM 0 HB2 GLU A 25 9.169 -6.010 8.044 1.00 60.32 H new ATOM 0 HB3 GLU A 25 9.266 -5.593 9.743 1.00 60.32 H new ATOM 0 HG2 GLU A 25 9.019 -8.424 8.677 1.00 4.34 H new ATOM 0 HG3 GLU A 25 10.531 -7.647 9.100 1.00 4.34 H new ATOM 403 N THR A 26 7.063 -5.383 11.382 1.00 13.45 N ATOM 404 CA THR A 26 6.625 -5.384 12.762 1.00 0.14 C ATOM 405 C THR A 26 5.088 -5.291 12.850 1.00 54.50 C ATOM 406 O THR A 26 4.450 -5.997 13.649 1.00 3.23 O ATOM 407 CB THR A 26 7.271 -4.205 13.526 1.00 50.11 C ATOM 408 OG1 THR A 26 8.704 -4.285 13.396 1.00 43.13 O ATOM 409 CG2 THR A 26 6.907 -4.261 14.997 1.00 71.22 C ATOM 0 H THR A 26 7.606 -4.560 11.120 1.00 13.45 H new ATOM 0 HA THR A 26 6.940 -6.322 13.220 1.00 0.14 H new ATOM 0 HB THR A 26 6.903 -3.270 13.104 1.00 50.11 H new ATOM 0 HG1 THR A 26 8.969 -3.983 12.502 1.00 43.13 H new ATOM 0 HG21 THR A 26 7.370 -3.424 15.519 1.00 71.22 H new ATOM 0 HG22 THR A 26 5.824 -4.202 15.106 1.00 71.22 H new ATOM 0 HG23 THR A 26 7.264 -5.198 15.425 1.00 71.22 H new ATOM 417 N VAL A 27 4.503 -4.431 12.012 1.00 32.44 N ATOM 418 CA VAL A 27 3.051 -4.248 11.969 1.00 5.24 C ATOM 419 C VAL A 27 2.346 -5.565 11.614 1.00 23.42 C ATOM 420 O VAL A 27 1.294 -5.893 12.182 1.00 42.22 O ATOM 421 CB VAL A 27 2.638 -3.132 10.951 1.00 13.31 C ATOM 422 CG1 VAL A 27 1.133 -2.976 10.898 1.00 5.11 C ATOM 423 CG2 VAL A 27 3.271 -1.798 11.319 1.00 14.31 C ATOM 0 H VAL A 27 5.017 -3.848 11.351 1.00 32.44 H new ATOM 0 HA VAL A 27 2.737 -3.933 12.964 1.00 5.24 H new ATOM 0 HB VAL A 27 2.998 -3.438 9.969 1.00 13.31 H new ATOM 0 HG11 VAL A 27 0.873 -2.195 10.184 1.00 5.11 H new ATOM 0 HG12 VAL A 27 0.680 -3.917 10.587 1.00 5.11 H new ATOM 0 HG13 VAL A 27 0.760 -2.703 11.885 1.00 5.11 H new ATOM 0 HG21 VAL A 27 2.968 -1.040 10.596 1.00 14.31 H new ATOM 0 HG22 VAL A 27 2.942 -1.502 12.315 1.00 14.31 H new ATOM 0 HG23 VAL A 27 4.357 -1.895 11.309 1.00 14.31 H new ATOM 433 N TYR A 28 2.951 -6.324 10.701 1.00 4.13 N ATOM 434 CA TYR A 28 2.413 -7.608 10.264 1.00 21.40 C ATOM 435 C TYR A 28 2.220 -8.535 11.459 1.00 21.14 C ATOM 436 O TYR A 28 1.130 -9.059 11.683 1.00 61.13 O ATOM 437 CB TYR A 28 3.355 -8.268 9.217 1.00 41.53 C ATOM 438 CG TYR A 28 2.855 -9.604 8.669 1.00 70.10 C ATOM 439 CD1 TYR A 28 3.139 -10.798 9.320 1.00 64.41 C ATOM 440 CD2 TYR A 28 2.088 -9.661 7.513 1.00 2.50 C ATOM 441 CE1 TYR A 28 2.674 -12.004 8.839 1.00 52.24 C ATOM 442 CE2 TYR A 28 1.611 -10.869 7.026 1.00 15.22 C ATOM 443 CZ TYR A 28 1.909 -12.035 7.697 1.00 23.44 C ATOM 444 OH TYR A 28 1.430 -13.237 7.232 1.00 30.41 O ATOM 0 H TYR A 28 3.826 -6.065 10.245 1.00 4.13 H new ATOM 0 HA TYR A 28 1.444 -7.434 9.795 1.00 21.40 H new ATOM 0 HB2 TYR A 28 3.494 -7.577 8.385 1.00 41.53 H new ATOM 0 HB3 TYR A 28 4.334 -8.420 9.672 1.00 41.53 H new ATOM 0 HD1 TYR A 28 3.735 -10.781 10.220 1.00 64.41 H new ATOM 0 HD2 TYR A 28 1.859 -8.748 6.983 1.00 2.50 H new ATOM 0 HE1 TYR A 28 2.910 -12.921 9.358 1.00 52.24 H new ATOM 0 HE2 TYR A 28 1.011 -10.895 6.128 1.00 15.22 H new ATOM 0 HH TYR A 28 0.907 -13.087 6.417 1.00 30.41 H new ATOM 454 N ARG A 29 3.273 -8.705 12.231 1.00 34.45 N ATOM 455 CA ARG A 29 3.252 -9.585 13.387 1.00 45.34 C ATOM 456 C ARG A 29 2.273 -9.129 14.465 1.00 10.33 C ATOM 457 O ARG A 29 1.618 -9.956 15.097 1.00 1.12 O ATOM 458 CB ARG A 29 4.650 -9.785 13.940 1.00 2.32 C ATOM 459 CG ARG A 29 5.542 -10.628 13.037 1.00 32.33 C ATOM 460 CD ARG A 29 6.955 -10.707 13.576 1.00 55.01 C ATOM 461 NE ARG A 29 7.662 -9.441 13.439 1.00 11.45 N ATOM 462 CZ ARG A 29 8.076 -8.657 14.430 1.00 10.45 C ATOM 463 NH1 ARG A 29 7.744 -8.927 15.690 1.00 40.30 N ATOM 464 NH2 ARG A 29 8.821 -7.601 14.150 1.00 21.11 N ATOM 0 H ARG A 29 4.167 -8.239 12.078 1.00 34.45 H new ATOM 0 HA ARG A 29 2.884 -10.551 13.042 1.00 45.34 H new ATOM 0 HB2 ARG A 29 5.116 -8.811 14.092 1.00 2.32 H new ATOM 0 HB3 ARG A 29 4.581 -10.261 14.918 1.00 2.32 H new ATOM 0 HG2 ARG A 29 5.128 -11.632 12.949 1.00 32.33 H new ATOM 0 HG3 ARG A 29 5.556 -10.200 12.035 1.00 32.33 H new ATOM 0 HD2 ARG A 29 6.927 -10.995 14.627 1.00 55.01 H new ATOM 0 HD3 ARG A 29 7.502 -11.487 13.047 1.00 55.01 H new ATOM 0 HE ARG A 29 7.859 -9.125 12.489 1.00 11.45 H new ATOM 0 HH11 ARG A 29 7.167 -9.741 15.902 1.00 40.30 H new ATOM 0 HH12 ARG A 29 8.066 -8.320 16.444 1.00 40.30 H new ATOM 0 HH21 ARG A 29 9.072 -7.396 13.183 1.00 21.11 H new ATOM 0 HH22 ARG A 29 9.145 -6.992 14.901 1.00 21.11 H new ATOM 478 N ALA A 30 2.148 -7.824 14.648 1.00 20.31 N ATOM 479 CA ALA A 30 1.216 -7.272 15.634 1.00 10.11 C ATOM 480 C ALA A 30 -0.228 -7.624 15.264 1.00 41.41 C ATOM 481 O ALA A 30 -1.059 -7.955 16.126 1.00 63.43 O ATOM 482 CB ALA A 30 1.385 -5.762 15.727 1.00 34.22 C ATOM 0 H ALA A 30 2.677 -7.123 14.130 1.00 20.31 H new ATOM 0 HA ALA A 30 1.439 -7.711 16.607 1.00 10.11 H new ATOM 0 HB1 ALA A 30 0.687 -5.362 16.463 1.00 34.22 H new ATOM 0 HB2 ALA A 30 2.406 -5.528 16.030 1.00 34.22 H new ATOM 0 HB3 ALA A 30 1.183 -5.313 14.755 1.00 34.22 H new ATOM 488 N LEU A 31 -0.514 -7.565 13.981 1.00 32.35 N ATOM 489 CA LEU A 31 -1.831 -7.869 13.464 1.00 70.12 C ATOM 490 C LEU A 31 -2.113 -9.356 13.498 1.00 14.54 C ATOM 491 O LEU A 31 -3.254 -9.765 13.725 1.00 4.13 O ATOM 492 CB LEU A 31 -2.000 -7.268 12.077 1.00 2.42 C ATOM 493 CG LEU A 31 -1.930 -5.743 12.064 1.00 43.51 C ATOM 494 CD1 LEU A 31 -1.920 -5.181 10.676 1.00 11.32 C ATOM 495 CD2 LEU A 31 -3.074 -5.164 12.837 1.00 40.23 C ATOM 0 H LEU A 31 0.163 -7.304 13.264 1.00 32.35 H new ATOM 0 HA LEU A 31 -2.577 -7.410 14.112 1.00 70.12 H new ATOM 0 HB2 LEU A 31 -1.226 -7.665 11.420 1.00 2.42 H new ATOM 0 HB3 LEU A 31 -2.959 -7.584 11.667 1.00 2.42 H new ATOM 0 HG LEU A 31 -0.987 -5.465 12.536 1.00 43.51 H new ATOM 0 HD11 LEU A 31 -1.869 -4.093 10.724 1.00 11.32 H new ATOM 0 HD12 LEU A 31 -1.053 -5.561 10.136 1.00 11.32 H new ATOM 0 HD13 LEU A 31 -2.830 -5.479 10.156 1.00 11.32 H new ATOM 0 HD21 LEU A 31 -3.011 -4.076 12.819 1.00 40.23 H new ATOM 0 HD22 LEU A 31 -4.015 -5.481 12.387 1.00 40.23 H new ATOM 0 HD23 LEU A 31 -3.030 -5.513 13.869 1.00 40.23 H new ATOM 507 N GLU A 32 -1.077 -10.161 13.298 1.00 74.25 N ATOM 508 CA GLU A 32 -1.194 -11.615 13.410 1.00 50.52 C ATOM 509 C GLU A 32 -1.589 -12.007 14.836 1.00 10.13 C ATOM 510 O GLU A 32 -2.434 -12.886 15.038 1.00 71.11 O ATOM 511 CB GLU A 32 0.113 -12.309 13.002 1.00 50.42 C ATOM 512 CG GLU A 32 0.460 -12.185 11.520 1.00 21.34 C ATOM 513 CD GLU A 32 -0.464 -12.985 10.614 1.00 30.53 C ATOM 514 OE1 GLU A 32 -1.585 -12.545 10.342 1.00 45.05 O ATOM 515 OE2 GLU A 32 -0.057 -14.081 10.154 1.00 30.44 O ATOM 0 H GLU A 32 -0.142 -9.833 13.056 1.00 74.25 H new ATOM 0 HA GLU A 32 -1.975 -11.947 12.726 1.00 50.52 H new ATOM 0 HB2 GLU A 32 0.930 -11.891 13.590 1.00 50.42 H new ATOM 0 HB3 GLU A 32 0.044 -13.366 13.259 1.00 50.42 H new ATOM 0 HG2 GLU A 32 0.419 -11.135 11.232 1.00 21.34 H new ATOM 0 HG3 GLU A 32 1.486 -12.518 11.366 1.00 21.34 H new ATOM 522 N GLU A 33 -0.997 -11.326 15.822 1.00 22.34 N ATOM 523 CA GLU A 33 -1.318 -11.556 17.235 1.00 54.04 C ATOM 524 C GLU A 33 -2.787 -11.244 17.517 1.00 62.12 C ATOM 525 O GLU A 33 -3.446 -11.928 18.293 1.00 14.33 O ATOM 526 CB GLU A 33 -0.441 -10.693 18.147 1.00 73.33 C ATOM 527 CG GLU A 33 1.045 -10.980 18.069 1.00 42.44 C ATOM 528 CD GLU A 33 1.386 -12.400 18.430 1.00 35.44 C ATOM 529 OE1 GLU A 33 1.415 -12.731 19.625 1.00 21.02 O ATOM 530 OE2 GLU A 33 1.649 -13.204 17.519 1.00 41.45 O ATOM 0 H GLU A 33 -0.290 -10.608 15.667 1.00 22.34 H new ATOM 0 HA GLU A 33 -1.125 -12.608 17.443 1.00 54.04 H new ATOM 0 HB2 GLU A 33 -0.606 -9.645 17.898 1.00 73.33 H new ATOM 0 HB3 GLU A 33 -0.768 -10.832 19.177 1.00 73.33 H new ATOM 0 HG2 GLU A 33 1.398 -10.772 17.059 1.00 42.44 H new ATOM 0 HG3 GLU A 33 1.576 -10.303 18.738 1.00 42.44 H new ATOM 537 N LYS A 34 -3.292 -10.214 16.878 1.00 73.42 N ATOM 538 CA LYS A 34 -4.681 -9.805 17.056 1.00 4.45 C ATOM 539 C LYS A 34 -5.649 -10.594 16.182 1.00 24.24 C ATOM 540 O LYS A 34 -6.869 -10.484 16.340 1.00 11.10 O ATOM 541 CB LYS A 34 -4.842 -8.318 16.794 1.00 23.15 C ATOM 542 CG LYS A 34 -4.337 -7.398 17.889 1.00 14.45 C ATOM 543 CD LYS A 34 -5.156 -7.584 19.150 1.00 15.32 C ATOM 544 CE LYS A 34 -4.836 -6.539 20.188 1.00 21.25 C ATOM 545 NZ LYS A 34 -5.675 -6.685 21.389 1.00 4.54 N ATOM 0 H LYS A 34 -2.764 -9.636 16.224 1.00 73.42 H new ATOM 0 HA LYS A 34 -4.933 -10.022 18.094 1.00 4.45 H new ATOM 0 HB2 LYS A 34 -4.320 -8.072 15.869 1.00 23.15 H new ATOM 0 HB3 LYS A 34 -5.899 -8.109 16.629 1.00 23.15 H new ATOM 0 HG2 LYS A 34 -3.287 -7.608 18.095 1.00 14.45 H new ATOM 0 HG3 LYS A 34 -4.396 -6.361 17.558 1.00 14.45 H new ATOM 0 HD2 LYS A 34 -6.217 -7.538 18.904 1.00 15.32 H new ATOM 0 HD3 LYS A 34 -4.967 -8.575 19.563 1.00 15.32 H new ATOM 0 HE2 LYS A 34 -3.785 -6.615 20.468 1.00 21.25 H new ATOM 0 HE3 LYS A 34 -4.982 -5.547 19.761 1.00 21.25 H new ATOM 0 HZ1 LYS A 34 -5.425 -5.948 22.079 1.00 4.54 H new ATOM 0 HZ2 LYS A 34 -6.677 -6.588 21.127 1.00 4.54 H new ATOM 0 HZ3 LYS A 34 -5.517 -7.622 21.811 1.00 4.54 H new ATOM 559 N GLY A 35 -5.123 -11.373 15.276 1.00 32.24 N ATOM 560 CA GLY A 35 -5.965 -12.174 14.424 1.00 1.45 C ATOM 561 C GLY A 35 -6.607 -11.370 13.309 1.00 34.33 C ATOM 562 O GLY A 35 -7.651 -11.762 12.783 1.00 22.12 O ATOM 0 H GLY A 35 -4.122 -11.471 15.108 1.00 32.24 H new ATOM 0 HA2 GLY A 35 -5.373 -12.980 13.990 1.00 1.45 H new ATOM 0 HA3 GLY A 35 -6.745 -12.640 15.026 1.00 1.45 H new ATOM 566 N TYR A 36 -5.999 -10.247 12.953 1.00 1.04 N ATOM 567 CA TYR A 36 -6.495 -9.439 11.844 1.00 45.42 C ATOM 568 C TYR A 36 -5.796 -9.880 10.591 1.00 12.45 C ATOM 569 O TYR A 36 -4.945 -10.767 10.628 1.00 33.22 O ATOM 570 CB TYR A 36 -6.187 -7.931 12.010 1.00 22.41 C ATOM 571 CG TYR A 36 -6.831 -7.203 13.162 1.00 65.34 C ATOM 572 CD1 TYR A 36 -6.058 -6.622 14.150 1.00 64.41 C ATOM 573 CD2 TYR A 36 -8.207 -7.067 13.245 1.00 64.21 C ATOM 574 CE1 TYR A 36 -6.638 -5.926 15.192 1.00 10.21 C ATOM 575 CE2 TYR A 36 -8.795 -6.378 14.287 1.00 62.31 C ATOM 576 CZ TYR A 36 -8.003 -5.809 15.257 1.00 61.11 C ATOM 577 OH TYR A 36 -8.576 -5.106 16.295 1.00 3.13 O ATOM 0 H TYR A 36 -5.167 -9.875 13.411 1.00 1.04 H new ATOM 0 HA TYR A 36 -7.576 -9.575 11.809 1.00 45.42 H new ATOM 0 HB2 TYR A 36 -5.107 -7.819 12.105 1.00 22.41 H new ATOM 0 HB3 TYR A 36 -6.480 -7.426 11.089 1.00 22.41 H new ATOM 0 HD1 TYR A 36 -4.983 -6.714 14.106 1.00 64.41 H new ATOM 0 HD2 TYR A 36 -8.831 -7.508 12.481 1.00 64.21 H new ATOM 0 HE1 TYR A 36 -6.019 -5.475 15.953 1.00 10.21 H new ATOM 0 HE2 TYR A 36 -9.870 -6.286 14.340 1.00 62.31 H new ATOM 0 HH TYR A 36 -9.551 -5.115 16.197 1.00 3.13 H new ATOM 587 N ASN A 37 -6.142 -9.273 9.493 1.00 41.30 N ATOM 588 CA ASN A 37 -5.395 -9.468 8.275 1.00 42.02 C ATOM 589 C ASN A 37 -4.508 -8.276 8.115 1.00 32.24 C ATOM 590 O ASN A 37 -5.008 -7.176 7.830 1.00 4.44 O ATOM 591 CB ASN A 37 -6.287 -9.592 7.040 1.00 2.23 C ATOM 592 CG ASN A 37 -7.150 -10.824 7.017 1.00 5.51 C ATOM 593 OD1 ASN A 37 -6.784 -11.868 7.549 1.00 3.23 O ATOM 594 ND2 ASN A 37 -8.285 -10.717 6.399 1.00 60.34 N ATOM 0 H ASN A 37 -6.936 -8.638 9.411 1.00 41.30 H new ATOM 0 HA ASN A 37 -4.838 -10.402 8.352 1.00 42.02 H new ATOM 0 HB2 ASN A 37 -6.929 -8.713 6.981 1.00 2.23 H new ATOM 0 HB3 ASN A 37 -5.657 -9.588 6.150 1.00 2.23 H new ATOM 0 HD21 ASN A 37 -8.912 -11.519 6.342 1.00 60.34 H new ATOM 0 HD22 ASN A 37 -8.551 -9.830 5.970 1.00 60.34 H new ATOM 601 N PRO A 38 -3.189 -8.445 8.353 1.00 34.31 N ATOM 602 CA PRO A 38 -2.195 -7.377 8.247 1.00 3.52 C ATOM 603 C PRO A 38 -2.404 -6.442 7.062 1.00 24.23 C ATOM 604 O PRO A 38 -2.304 -5.229 7.192 1.00 34.15 O ATOM 605 CB PRO A 38 -0.907 -8.147 8.078 1.00 44.20 C ATOM 606 CG PRO A 38 -1.101 -9.362 8.911 1.00 0.42 C ATOM 607 CD PRO A 38 -2.560 -9.704 8.823 1.00 45.13 C ATOM 0 HA PRO A 38 -2.233 -6.714 9.112 1.00 3.52 H new ATOM 0 HB2 PRO A 38 -0.730 -8.404 7.034 1.00 44.20 H new ATOM 0 HB3 PRO A 38 -0.048 -7.566 8.414 1.00 44.20 H new ATOM 0 HG2 PRO A 38 -0.486 -10.185 8.547 1.00 0.42 H new ATOM 0 HG3 PRO A 38 -0.807 -9.176 9.944 1.00 0.42 H new ATOM 0 HD2 PRO A 38 -2.738 -10.524 8.128 1.00 45.13 H new ATOM 0 HD3 PRO A 38 -2.958 -10.014 9.789 1.00 45.13 H new ATOM 615 N ILE A 39 -2.754 -7.009 5.941 1.00 33.45 N ATOM 616 CA ILE A 39 -2.927 -6.258 4.727 1.00 41.32 C ATOM 617 C ILE A 39 -4.126 -5.318 4.803 1.00 52.31 C ATOM 618 O ILE A 39 -4.001 -4.138 4.497 1.00 63.53 O ATOM 619 CB ILE A 39 -3.055 -7.204 3.520 1.00 20.23 C ATOM 620 CG1 ILE A 39 -1.814 -8.092 3.430 1.00 53.52 C ATOM 621 CG2 ILE A 39 -3.248 -6.426 2.233 1.00 71.13 C ATOM 622 CD1 ILE A 39 -0.510 -7.322 3.294 1.00 1.54 C ATOM 0 H ILE A 39 -2.928 -8.009 5.842 1.00 33.45 H new ATOM 0 HA ILE A 39 -2.039 -5.640 4.597 1.00 41.32 H new ATOM 0 HB ILE A 39 -3.935 -7.831 3.661 1.00 20.23 H new ATOM 0 HG12 ILE A 39 -1.763 -8.718 4.321 1.00 53.52 H new ATOM 0 HG13 ILE A 39 -1.920 -8.761 2.576 1.00 53.52 H new ATOM 0 HG21 ILE A 39 -3.335 -7.121 1.398 1.00 71.13 H new ATOM 0 HG22 ILE A 39 -4.156 -5.827 2.303 1.00 71.13 H new ATOM 0 HG23 ILE A 39 -2.392 -5.771 2.072 1.00 71.13 H new ATOM 0 HD11 ILE A 39 0.322 -8.023 3.236 1.00 1.54 H new ATOM 0 HD12 ILE A 39 -0.538 -6.716 2.388 1.00 1.54 H new ATOM 0 HD13 ILE A 39 -0.378 -6.673 4.160 1.00 1.54 H new ATOM 634 N ASN A 40 -5.262 -5.838 5.267 1.00 50.31 N ATOM 635 CA ASN A 40 -6.511 -5.055 5.340 1.00 25.41 C ATOM 636 C ASN A 40 -6.353 -3.855 6.256 1.00 33.20 C ATOM 637 O ASN A 40 -6.905 -2.780 6.005 1.00 50.32 O ATOM 638 CB ASN A 40 -7.691 -5.899 5.856 1.00 50.10 C ATOM 639 CG ASN A 40 -8.046 -7.114 5.002 1.00 52.20 C ATOM 640 OD1 ASN A 40 -8.530 -8.105 5.519 1.00 61.14 O ATOM 641 ND2 ASN A 40 -7.826 -7.047 3.720 1.00 24.22 N ATOM 0 H ASN A 40 -5.351 -6.798 5.600 1.00 50.31 H new ATOM 0 HA ASN A 40 -6.722 -4.725 4.323 1.00 25.41 H new ATOM 0 HB2 ASN A 40 -7.459 -6.240 6.865 1.00 50.10 H new ATOM 0 HB3 ASN A 40 -8.570 -5.258 5.930 1.00 50.10 H new ATOM 0 HD21 ASN A 40 -8.060 -7.838 3.120 1.00 24.22 H new ATOM 0 HD22 ASN A 40 -7.419 -6.203 3.316 1.00 24.22 H new ATOM 648 N GLN A 41 -5.607 -4.037 7.316 1.00 34.43 N ATOM 649 CA GLN A 41 -5.411 -2.977 8.280 1.00 32.52 C ATOM 650 C GLN A 41 -4.464 -1.901 7.734 1.00 22.04 C ATOM 651 O GLN A 41 -4.716 -0.706 7.904 1.00 0.25 O ATOM 652 CB GLN A 41 -4.907 -3.542 9.600 1.00 72.03 C ATOM 653 CG GLN A 41 -5.778 -4.674 10.151 1.00 60.11 C ATOM 654 CD GLN A 41 -7.235 -4.285 10.393 1.00 0.32 C ATOM 655 OE1 GLN A 41 -8.127 -5.117 10.260 1.00 22.45 O ATOM 656 NE2 GLN A 41 -7.482 -3.060 10.787 1.00 12.52 N ATOM 0 H GLN A 41 -5.124 -4.908 7.536 1.00 34.43 H new ATOM 0 HA GLN A 41 -6.374 -2.500 8.464 1.00 32.52 H new ATOM 0 HB2 GLN A 41 -3.890 -3.910 9.464 1.00 72.03 H new ATOM 0 HB3 GLN A 41 -4.860 -2.739 10.336 1.00 72.03 H new ATOM 0 HG2 GLN A 41 -5.749 -5.511 9.454 1.00 60.11 H new ATOM 0 HG3 GLN A 41 -5.347 -5.025 11.089 1.00 60.11 H new ATOM 0 HE21 GLN A 41 -6.717 -2.393 10.887 1.00 12.52 H new ATOM 0 HE22 GLN A 41 -8.439 -2.774 10.993 1.00 12.52 H new ATOM 665 N ILE A 42 -3.388 -2.327 7.062 1.00 5.24 N ATOM 666 CA ILE A 42 -2.423 -1.384 6.488 1.00 64.11 C ATOM 667 C ILE A 42 -3.071 -0.557 5.377 1.00 42.44 C ATOM 668 O ILE A 42 -2.983 0.679 5.385 1.00 72.15 O ATOM 669 CB ILE A 42 -1.133 -2.087 5.960 1.00 62.01 C ATOM 670 CG1 ILE A 42 -0.405 -2.795 7.119 1.00 72.13 C ATOM 671 CG2 ILE A 42 -0.199 -1.072 5.280 1.00 0.23 C ATOM 672 CD1 ILE A 42 0.828 -3.581 6.701 1.00 62.20 C ATOM 0 H ILE A 42 -3.165 -3.310 6.904 1.00 5.24 H new ATOM 0 HA ILE A 42 -2.116 -0.720 7.296 1.00 64.11 H new ATOM 0 HB ILE A 42 -1.423 -2.832 5.219 1.00 62.01 H new ATOM 0 HG12 ILE A 42 -0.112 -2.049 7.857 1.00 72.13 H new ATOM 0 HG13 ILE A 42 -1.103 -3.473 7.610 1.00 72.13 H new ATOM 0 HG21 ILE A 42 0.694 -1.583 4.920 1.00 0.23 H new ATOM 0 HG22 ILE A 42 -0.716 -0.608 4.440 1.00 0.23 H new ATOM 0 HG23 ILE A 42 0.088 -0.304 5.998 1.00 0.23 H new ATOM 0 HD11 ILE A 42 1.278 -4.046 7.578 1.00 62.20 H new ATOM 0 HD12 ILE A 42 0.542 -4.353 5.987 1.00 62.20 H new ATOM 0 HD13 ILE A 42 1.549 -2.907 6.238 1.00 62.20 H new ATOM 684 N VAL A 43 -3.755 -1.232 4.442 1.00 45.22 N ATOM 685 CA VAL A 43 -4.443 -0.526 3.360 1.00 10.10 C ATOM 686 C VAL A 43 -5.494 0.445 3.945 1.00 60.34 C ATOM 687 O VAL A 43 -5.674 1.560 3.443 1.00 10.34 O ATOM 688 CB VAL A 43 -5.075 -1.506 2.283 1.00 73.23 C ATOM 689 CG1 VAL A 43 -6.056 -2.461 2.913 1.00 11.40 C ATOM 690 CG2 VAL A 43 -5.779 -0.727 1.183 1.00 23.32 C ATOM 0 H VAL A 43 -3.844 -2.248 4.415 1.00 45.22 H new ATOM 0 HA VAL A 43 -3.695 0.054 2.820 1.00 10.10 H new ATOM 0 HB VAL A 43 -4.252 -2.077 1.854 1.00 73.23 H new ATOM 0 HG11 VAL A 43 -6.469 -3.117 2.146 1.00 11.40 H new ATOM 0 HG12 VAL A 43 -5.547 -3.061 3.668 1.00 11.40 H new ATOM 0 HG13 VAL A 43 -6.863 -1.897 3.381 1.00 11.40 H new ATOM 0 HG21 VAL A 43 -6.203 -1.423 0.459 1.00 23.32 H new ATOM 0 HG22 VAL A 43 -6.577 -0.124 1.617 1.00 23.32 H new ATOM 0 HG23 VAL A 43 -5.063 -0.075 0.683 1.00 23.32 H new ATOM 700 N GLY A 44 -6.132 0.027 5.046 1.00 3.32 N ATOM 701 CA GLY A 44 -7.079 0.869 5.730 1.00 24.13 C ATOM 702 C GLY A 44 -6.426 2.128 6.270 1.00 54.21 C ATOM 703 O GLY A 44 -6.942 3.237 6.076 1.00 63.22 O ATOM 0 H GLY A 44 -5.999 -0.891 5.470 1.00 3.32 H new ATOM 0 HA2 GLY A 44 -7.883 1.141 5.047 1.00 24.13 H new ATOM 0 HA3 GLY A 44 -7.532 0.314 6.551 1.00 24.13 H new ATOM 707 N TYR A 45 -5.273 1.966 6.931 1.00 44.02 N ATOM 708 CA TYR A 45 -4.540 3.105 7.477 1.00 21.31 C ATOM 709 C TYR A 45 -4.116 4.090 6.399 1.00 42.04 C ATOM 710 O TYR A 45 -4.381 5.281 6.517 1.00 41.33 O ATOM 711 CB TYR A 45 -3.314 2.691 8.343 1.00 23.13 C ATOM 712 CG TYR A 45 -2.453 3.895 8.752 1.00 40.41 C ATOM 713 CD1 TYR A 45 -1.133 4.015 8.340 1.00 0.01 C ATOM 714 CD2 TYR A 45 -2.989 4.930 9.487 1.00 73.01 C ATOM 715 CE1 TYR A 45 -0.385 5.137 8.659 1.00 32.13 C ATOM 716 CE2 TYR A 45 -2.250 6.046 9.822 1.00 73.41 C ATOM 717 CZ TYR A 45 -0.955 6.148 9.406 1.00 71.41 C ATOM 718 OH TYR A 45 -0.234 7.282 9.693 1.00 13.14 O ATOM 0 H TYR A 45 -4.833 1.061 7.098 1.00 44.02 H new ATOM 0 HA TYR A 45 -5.248 3.605 8.138 1.00 21.31 H new ATOM 0 HB2 TYR A 45 -3.662 2.176 9.238 1.00 23.13 H new ATOM 0 HB3 TYR A 45 -2.701 1.982 7.786 1.00 23.13 H new ATOM 0 HD1 TYR A 45 -0.682 3.222 7.762 1.00 0.01 H new ATOM 0 HD2 TYR A 45 -4.017 4.866 9.810 1.00 73.01 H new ATOM 0 HE1 TYR A 45 0.639 5.220 8.325 1.00 32.13 H new ATOM 0 HE2 TYR A 45 -2.695 6.835 10.411 1.00 73.41 H new ATOM 0 HH TYR A 45 0.406 7.454 8.971 1.00 13.14 H new ATOM 728 N LEU A 46 -3.474 3.612 5.356 1.00 2.12 N ATOM 729 CA LEU A 46 -2.982 4.514 4.325 1.00 34.42 C ATOM 730 C LEU A 46 -4.089 5.221 3.553 1.00 21.43 C ATOM 731 O LEU A 46 -3.937 6.391 3.195 1.00 55.21 O ATOM 732 CB LEU A 46 -1.942 3.883 3.381 1.00 44.24 C ATOM 733 CG LEU A 46 -0.535 3.586 3.966 1.00 11.24 C ATOM 734 CD1 LEU A 46 -0.549 2.512 5.023 1.00 11.43 C ATOM 735 CD2 LEU A 46 0.447 3.256 2.869 1.00 70.10 C ATOM 0 H LEU A 46 -3.280 2.624 5.196 1.00 2.12 H new ATOM 0 HA LEU A 46 -2.452 5.284 4.885 1.00 34.42 H new ATOM 0 HB2 LEU A 46 -2.354 2.947 3.003 1.00 44.24 H new ATOM 0 HB3 LEU A 46 -1.818 4.546 2.525 1.00 44.24 H new ATOM 0 HG LEU A 46 -0.208 4.500 4.463 1.00 11.24 H new ATOM 0 HD11 LEU A 46 0.464 2.351 5.392 1.00 11.43 H new ATOM 0 HD12 LEU A 46 -1.191 2.822 5.848 1.00 11.43 H new ATOM 0 HD13 LEU A 46 -0.931 1.585 4.595 1.00 11.43 H new ATOM 0 HD21 LEU A 46 1.425 3.052 3.305 1.00 70.10 H new ATOM 0 HD22 LEU A 46 0.102 2.377 2.324 1.00 70.10 H new ATOM 0 HD23 LEU A 46 0.524 4.100 2.184 1.00 70.10 H new ATOM 747 N LEU A 47 -5.199 4.540 3.314 1.00 43.20 N ATOM 748 CA LEU A 47 -6.301 5.164 2.586 1.00 25.11 C ATOM 749 C LEU A 47 -7.084 6.140 3.463 1.00 44.45 C ATOM 750 O LEU A 47 -7.421 7.234 3.026 1.00 41.23 O ATOM 751 CB LEU A 47 -7.261 4.127 1.980 1.00 31.21 C ATOM 752 CG LEU A 47 -6.688 3.171 0.925 1.00 5.30 C ATOM 753 CD1 LEU A 47 -7.772 2.238 0.418 1.00 51.25 C ATOM 754 CD2 LEU A 47 -6.072 3.938 -0.234 1.00 22.21 C ATOM 0 H LEU A 47 -5.363 3.576 3.605 1.00 43.20 H new ATOM 0 HA LEU A 47 -5.841 5.721 1.770 1.00 25.11 H new ATOM 0 HB2 LEU A 47 -7.667 3.527 2.794 1.00 31.21 H new ATOM 0 HB3 LEU A 47 -8.097 4.663 1.531 1.00 31.21 H new ATOM 0 HG LEU A 47 -5.902 2.581 1.396 1.00 5.30 H new ATOM 0 HD11 LEU A 47 -7.352 1.565 -0.330 1.00 51.25 H new ATOM 0 HD12 LEU A 47 -8.168 1.655 1.249 1.00 51.25 H new ATOM 0 HD13 LEU A 47 -8.575 2.823 -0.030 1.00 51.25 H new ATOM 0 HD21 LEU A 47 -5.674 3.234 -0.965 1.00 22.21 H new ATOM 0 HD22 LEU A 47 -6.834 4.559 -0.705 1.00 22.21 H new ATOM 0 HD23 LEU A 47 -5.266 4.571 0.136 1.00 22.21 H new ATOM 766 N SER A 48 -7.334 5.765 4.703 1.00 53.33 N ATOM 767 CA SER A 48 -8.176 6.581 5.561 1.00 30.14 C ATOM 768 C SER A 48 -7.378 7.609 6.378 1.00 15.42 C ATOM 769 O SER A 48 -7.941 8.581 6.864 1.00 73.21 O ATOM 770 CB SER A 48 -8.999 5.689 6.489 1.00 4.41 C ATOM 771 OG SER A 48 -9.778 4.755 5.743 1.00 25.31 O ATOM 0 H SER A 48 -6.973 4.914 5.135 1.00 53.33 H new ATOM 0 HA SER A 48 -8.842 7.147 4.909 1.00 30.14 H new ATOM 0 HB2 SER A 48 -8.335 5.154 7.168 1.00 4.41 H new ATOM 0 HB3 SER A 48 -9.655 6.305 7.104 1.00 4.41 H new ATOM 0 HG SER A 48 -10.295 4.194 6.359 1.00 25.31 H new ATOM 777 N GLY A 49 -6.072 7.401 6.528 1.00 45.24 N ATOM 778 CA GLY A 49 -5.268 8.329 7.305 1.00 72.22 C ATOM 779 C GLY A 49 -5.462 8.176 8.808 1.00 24.21 C ATOM 780 O GLY A 49 -4.951 8.978 9.586 1.00 42.33 O ATOM 0 H GLY A 49 -5.560 6.614 6.129 1.00 45.24 H new ATOM 0 HA2 GLY A 49 -4.216 8.179 7.064 1.00 72.22 H new ATOM 0 HA3 GLY A 49 -5.519 9.349 7.014 1.00 72.22 H new ATOM 784 N ASP A 50 -6.176 7.141 9.203 1.00 22.24 N ATOM 785 CA ASP A 50 -6.502 6.903 10.611 1.00 24.30 C ATOM 786 C ASP A 50 -5.637 5.799 11.212 1.00 22.43 C ATOM 787 O ASP A 50 -5.746 4.633 10.822 1.00 22.02 O ATOM 788 CB ASP A 50 -7.988 6.567 10.760 1.00 32.23 C ATOM 789 CG ASP A 50 -8.370 6.160 12.166 1.00 33.12 C ATOM 790 OD1 ASP A 50 -8.359 7.017 13.072 1.00 31.12 O ATOM 791 OD2 ASP A 50 -8.728 4.989 12.369 1.00 34.55 O ATOM 0 H ASP A 50 -6.550 6.438 8.566 1.00 22.24 H new ATOM 0 HA ASP A 50 -6.289 7.819 11.163 1.00 24.30 H new ATOM 0 HB2 ASP A 50 -8.581 7.433 10.466 1.00 32.23 H new ATOM 0 HB3 ASP A 50 -8.242 5.759 10.073 1.00 32.23 H new ATOM 796 N PRO A 51 -4.747 6.157 12.164 1.00 24.34 N ATOM 797 CA PRO A 51 -3.816 5.212 12.799 1.00 13.24 C ATOM 798 C PRO A 51 -4.506 4.088 13.575 1.00 1.23 C ATOM 799 O PRO A 51 -3.923 3.021 13.768 1.00 15.23 O ATOM 800 CB PRO A 51 -2.946 6.078 13.716 1.00 43.54 C ATOM 801 CG PRO A 51 -3.723 7.329 13.922 1.00 2.53 C ATOM 802 CD PRO A 51 -4.563 7.528 12.688 1.00 52.41 C ATOM 0 HA PRO A 51 -3.237 4.681 12.043 1.00 13.24 H new ATOM 0 HB2 PRO A 51 -2.750 5.575 14.663 1.00 43.54 H new ATOM 0 HB3 PRO A 51 -1.978 6.286 13.260 1.00 43.54 H new ATOM 0 HG2 PRO A 51 -4.352 7.252 14.809 1.00 2.53 H new ATOM 0 HG3 PRO A 51 -3.056 8.177 14.077 1.00 2.53 H new ATOM 0 HD2 PRO A 51 -5.518 7.998 12.925 1.00 52.41 H new ATOM 0 HD3 PRO A 51 -4.063 8.170 11.963 1.00 52.41 H new ATOM 810 N ALA A 52 -5.745 4.329 14.014 1.00 53.35 N ATOM 811 CA ALA A 52 -6.519 3.348 14.787 1.00 62.05 C ATOM 812 C ALA A 52 -6.761 2.036 14.019 1.00 14.32 C ATOM 813 O ALA A 52 -7.181 1.035 14.610 1.00 3.14 O ATOM 814 CB ALA A 52 -7.826 3.939 15.274 1.00 4.34 C ATOM 0 H ALA A 52 -6.240 5.205 13.846 1.00 53.35 H new ATOM 0 HA ALA A 52 -5.910 3.094 15.655 1.00 62.05 H new ATOM 0 HB1 ALA A 52 -8.375 3.188 15.842 1.00 4.34 H new ATOM 0 HB2 ALA A 52 -7.621 4.799 15.912 1.00 4.34 H new ATOM 0 HB3 ALA A 52 -8.423 4.255 14.419 1.00 4.34 H new ATOM 820 N TYR A 53 -6.493 2.036 12.707 1.00 44.01 N ATOM 821 CA TYR A 53 -6.568 0.811 11.909 1.00 75.15 C ATOM 822 C TYR A 53 -5.511 -0.191 12.338 1.00 51.13 C ATOM 823 O TYR A 53 -5.612 -1.382 12.050 1.00 5.31 O ATOM 824 CB TYR A 53 -6.439 1.102 10.420 1.00 42.22 C ATOM 825 CG TYR A 53 -7.719 1.575 9.820 1.00 32.33 C ATOM 826 CD1 TYR A 53 -8.676 0.655 9.463 1.00 20.13 C ATOM 827 CD2 TYR A 53 -7.985 2.912 9.612 1.00 34.23 C ATOM 828 CE1 TYR A 53 -9.863 1.037 8.918 1.00 63.13 C ATOM 829 CE2 TYR A 53 -9.182 3.315 9.061 1.00 74.05 C ATOM 830 CZ TYR A 53 -10.122 2.372 8.715 1.00 63.45 C ATOM 831 OH TYR A 53 -11.327 2.766 8.156 1.00 22.43 O ATOM 0 H TYR A 53 -6.224 2.867 12.180 1.00 44.01 H new ATOM 0 HA TYR A 53 -7.552 0.376 12.087 1.00 75.15 H new ATOM 0 HB2 TYR A 53 -5.668 1.857 10.266 1.00 42.22 H new ATOM 0 HB3 TYR A 53 -6.110 0.200 9.904 1.00 42.22 H new ATOM 0 HD1 TYR A 53 -8.481 -0.396 9.619 1.00 20.13 H new ATOM 0 HD2 TYR A 53 -7.247 3.652 9.884 1.00 34.23 H new ATOM 0 HE1 TYR A 53 -10.599 0.295 8.646 1.00 63.13 H new ATOM 0 HE2 TYR A 53 -9.381 4.365 8.902 1.00 74.05 H new ATOM 0 HH TYR A 53 -11.350 3.743 8.082 1.00 22.43 H new ATOM 841 N ILE A 54 -4.497 0.298 13.012 1.00 53.34 N ATOM 842 CA ILE A 54 -3.478 -0.539 13.576 1.00 73.43 C ATOM 843 C ILE A 54 -3.626 -0.466 15.104 1.00 32.22 C ATOM 844 O ILE A 54 -3.570 0.622 15.678 1.00 13.25 O ATOM 845 CB ILE A 54 -2.052 -0.071 13.158 1.00 71.22 C ATOM 846 CG1 ILE A 54 -1.934 0.011 11.621 1.00 53.44 C ATOM 847 CG2 ILE A 54 -0.982 -1.011 13.724 1.00 44.51 C ATOM 848 CD1 ILE A 54 -2.182 -1.299 10.895 1.00 12.34 C ATOM 0 H ILE A 54 -4.360 1.294 13.183 1.00 53.34 H new ATOM 0 HA ILE A 54 -3.597 -1.559 13.212 1.00 73.43 H new ATOM 0 HB ILE A 54 -1.889 0.924 13.572 1.00 71.22 H new ATOM 0 HG12 ILE A 54 -2.643 0.753 11.255 1.00 53.44 H new ATOM 0 HG13 ILE A 54 -0.937 0.369 11.365 1.00 53.44 H new ATOM 0 HG21 ILE A 54 0.005 -0.664 13.419 1.00 44.51 H new ATOM 0 HG22 ILE A 54 -1.044 -1.019 14.812 1.00 44.51 H new ATOM 0 HG23 ILE A 54 -1.146 -2.019 13.344 1.00 44.51 H new ATOM 0 HD11 ILE A 54 -2.078 -1.145 9.821 1.00 12.34 H new ATOM 0 HD12 ILE A 54 -1.457 -2.042 11.227 1.00 12.34 H new ATOM 0 HD13 ILE A 54 -3.190 -1.652 11.115 1.00 12.34 H new ATOM 860 N PRO A 55 -3.848 -1.609 15.769 1.00 50.42 N ATOM 861 CA PRO A 55 -4.095 -1.666 17.214 1.00 11.23 C ATOM 862 C PRO A 55 -2.946 -1.119 18.061 1.00 72.25 C ATOM 863 O PRO A 55 -1.763 -1.328 17.757 1.00 41.10 O ATOM 864 CB PRO A 55 -4.277 -3.170 17.490 1.00 52.12 C ATOM 865 CG PRO A 55 -3.624 -3.837 16.341 1.00 30.23 C ATOM 866 CD PRO A 55 -3.869 -2.940 15.172 1.00 23.01 C ATOM 0 HA PRO A 55 -4.951 -1.047 17.483 1.00 11.23 H new ATOM 0 HB2 PRO A 55 -3.814 -3.460 18.433 1.00 52.12 H new ATOM 0 HB3 PRO A 55 -5.332 -3.437 17.557 1.00 52.12 H new ATOM 0 HG2 PRO A 55 -2.557 -3.969 16.518 1.00 30.23 H new ATOM 0 HG3 PRO A 55 -4.044 -4.828 16.171 1.00 30.23 H new ATOM 0 HD2 PRO A 55 -3.099 -3.052 14.409 1.00 23.01 H new ATOM 0 HD3 PRO A 55 -4.825 -3.153 14.694 1.00 23.01 H new ATOM 874 N ARG A 56 -3.306 -0.461 19.157 1.00 53.10 N ATOM 875 CA ARG A 56 -2.340 0.115 20.099 1.00 32.41 C ATOM 876 C ARG A 56 -1.823 -0.933 21.067 1.00 4.01 C ATOM 877 O ARG A 56 -1.249 -0.617 22.105 1.00 23.34 O ATOM 878 CB ARG A 56 -2.930 1.325 20.831 1.00 1.12 C ATOM 879 CG ARG A 56 -4.201 1.040 21.594 1.00 1.54 C ATOM 880 CD ARG A 56 -4.755 2.304 22.210 1.00 73.32 C ATOM 881 NE ARG A 56 -6.046 2.067 22.828 1.00 75.21 N ATOM 882 CZ ARG A 56 -7.045 2.944 22.890 1.00 43.32 C ATOM 883 NH1 ARG A 56 -6.891 4.185 22.419 1.00 40.22 N ATOM 884 NH2 ARG A 56 -8.193 2.576 23.429 1.00 75.04 N ATOM 0 H ARG A 56 -4.279 -0.309 19.423 1.00 53.10 H new ATOM 0 HA ARG A 56 -1.486 0.472 19.523 1.00 32.41 H new ATOM 0 HB2 ARG A 56 -2.184 1.712 21.525 1.00 1.12 H new ATOM 0 HB3 ARG A 56 -3.127 2.112 20.104 1.00 1.12 H new ATOM 0 HG2 ARG A 56 -4.941 0.602 20.925 1.00 1.54 H new ATOM 0 HG3 ARG A 56 -4.004 0.306 22.375 1.00 1.54 H new ATOM 0 HD2 ARG A 56 -4.057 2.684 22.956 1.00 73.32 H new ATOM 0 HD3 ARG A 56 -4.852 3.073 21.443 1.00 73.32 H new ATOM 0 HE ARG A 56 -6.201 1.152 23.250 1.00 75.21 H new ATOM 0 HH11 ARG A 56 -6.002 4.468 22.007 1.00 40.22 H new ATOM 0 HH12 ARG A 56 -7.663 4.850 22.471 1.00 40.22 H new ATOM 0 HH21 ARG A 56 -8.306 1.629 23.792 1.00 75.04 H new ATOM 0 HH22 ARG A 56 -8.967 3.238 23.483 1.00 75.04 H new ATOM 898 N TYR A 57 -2.024 -2.172 20.692 1.00 5.54 N ATOM 899 CA TYR A 57 -1.480 -3.311 21.383 1.00 13.34 C ATOM 900 C TYR A 57 0.042 -3.240 21.344 1.00 20.15 C ATOM 901 O TYR A 57 0.705 -3.427 22.353 1.00 12.12 O ATOM 902 CB TYR A 57 -2.006 -4.590 20.709 1.00 33.31 C ATOM 903 CG TYR A 57 -1.311 -5.879 21.102 1.00 43.35 C ATOM 904 CD1 TYR A 57 -1.093 -6.218 22.428 1.00 63.23 C ATOM 905 CD2 TYR A 57 -0.846 -6.744 20.123 1.00 41.31 C ATOM 906 CE1 TYR A 57 -0.439 -7.382 22.760 1.00 5.31 C ATOM 907 CE2 TYR A 57 -0.189 -7.905 20.449 1.00 63.13 C ATOM 908 CZ TYR A 57 0.013 -8.222 21.764 1.00 54.34 C ATOM 909 OH TYR A 57 0.680 -9.386 22.094 1.00 21.24 O ATOM 0 H TYR A 57 -2.585 -2.421 19.877 1.00 5.54 H new ATOM 0 HA TYR A 57 -1.789 -3.318 22.428 1.00 13.34 H new ATOM 0 HB2 TYR A 57 -3.067 -4.688 20.937 1.00 33.31 H new ATOM 0 HB3 TYR A 57 -1.922 -4.469 19.629 1.00 33.31 H new ATOM 0 HD1 TYR A 57 -1.441 -5.560 23.211 1.00 63.23 H new ATOM 0 HD2 TYR A 57 -1.004 -6.500 19.083 1.00 41.31 H new ATOM 0 HE1 TYR A 57 -0.280 -7.637 23.797 1.00 5.31 H new ATOM 0 HE2 TYR A 57 0.166 -8.564 19.671 1.00 63.13 H new ATOM 0 HH TYR A 57 0.930 -9.863 21.275 1.00 21.24 H new ATOM 919 N GLN A 58 0.568 -2.922 20.185 1.00 14.45 N ATOM 920 CA GLN A 58 1.981 -2.796 19.998 1.00 52.35 C ATOM 921 C GLN A 58 2.307 -1.389 19.571 1.00 63.13 C ATOM 922 O GLN A 58 1.439 -0.660 19.062 1.00 15.22 O ATOM 923 CB GLN A 58 2.483 -3.776 18.928 1.00 33.30 C ATOM 924 CG GLN A 58 2.329 -5.244 19.282 1.00 72.22 C ATOM 925 CD GLN A 58 3.124 -5.633 20.508 1.00 70.05 C ATOM 926 OE1 GLN A 58 2.637 -5.575 21.623 1.00 52.44 O ATOM 927 NE2 GLN A 58 4.342 -6.043 20.304 1.00 45.05 N ATOM 0 H GLN A 58 0.018 -2.744 19.344 1.00 14.45 H new ATOM 0 HA GLN A 58 2.474 -3.027 20.942 1.00 52.35 H new ATOM 0 HB2 GLN A 58 1.946 -3.583 17.999 1.00 33.30 H new ATOM 0 HB3 GLN A 58 3.536 -3.572 18.735 1.00 33.30 H new ATOM 0 HG2 GLN A 58 1.275 -5.464 19.452 1.00 72.22 H new ATOM 0 HG3 GLN A 58 2.650 -5.853 18.437 1.00 72.22 H new ATOM 0 HE21 GLN A 58 4.716 -6.078 19.356 1.00 45.05 H new ATOM 0 HE22 GLN A 58 4.923 -6.329 21.092 1.00 45.05 H new ATOM 936 N ASP A 59 3.547 -1.017 19.752 1.00 60.01 N ATOM 937 CA ASP A 59 4.074 0.296 19.352 1.00 35.13 C ATOM 938 C ASP A 59 4.093 0.444 17.841 1.00 0.43 C ATOM 939 O ASP A 59 4.309 1.531 17.320 1.00 43.21 O ATOM 940 CB ASP A 59 5.462 0.581 19.958 1.00 53.45 C ATOM 941 CG ASP A 59 6.537 -0.400 19.549 1.00 74.31 C ATOM 942 OD1 ASP A 59 6.466 -1.586 19.963 1.00 61.34 O ATOM 943 OD2 ASP A 59 7.497 0.002 18.855 1.00 12.03 O ATOM 0 H ASP A 59 4.246 -1.618 20.189 1.00 60.01 H new ATOM 0 HA ASP A 59 3.393 1.045 19.757 1.00 35.13 H new ATOM 0 HB2 ASP A 59 5.773 1.584 19.666 1.00 53.45 H new ATOM 0 HB3 ASP A 59 5.378 0.577 21.045 1.00 53.45 H new ATOM 948 N ALA A 60 3.875 -0.675 17.147 1.00 14.34 N ATOM 949 CA ALA A 60 3.814 -0.734 15.686 1.00 51.10 C ATOM 950 C ALA A 60 2.875 0.339 15.099 1.00 14.23 C ATOM 951 O ALA A 60 3.138 0.875 14.032 1.00 4.53 O ATOM 952 CB ALA A 60 3.381 -2.121 15.242 1.00 22.11 C ATOM 0 H ALA A 60 3.733 -1.581 17.593 1.00 14.34 H new ATOM 0 HA ALA A 60 4.814 -0.527 15.304 1.00 51.10 H new ATOM 0 HB1 ALA A 60 3.338 -2.158 14.153 1.00 22.11 H new ATOM 0 HB2 ALA A 60 4.098 -2.859 15.602 1.00 22.11 H new ATOM 0 HB3 ALA A 60 2.396 -2.343 15.652 1.00 22.11 H new ATOM 958 N ARG A 61 1.797 0.662 15.816 1.00 74.33 N ATOM 959 CA ARG A 61 0.891 1.730 15.386 1.00 53.01 C ATOM 960 C ARG A 61 1.579 3.097 15.359 1.00 64.24 C ATOM 961 O ARG A 61 1.290 3.933 14.521 1.00 13.52 O ATOM 962 CB ARG A 61 -0.457 1.728 16.164 1.00 21.34 C ATOM 963 CG ARG A 61 -0.369 1.634 17.690 1.00 2.11 C ATOM 964 CD ARG A 61 0.252 2.841 18.354 1.00 72.42 C ATOM 965 NE ARG A 61 0.475 2.618 19.783 1.00 4.51 N ATOM 966 CZ ARG A 61 0.724 3.582 20.675 1.00 11.33 C ATOM 967 NH1 ARG A 61 0.749 4.847 20.295 1.00 42.12 N ATOM 968 NH2 ARG A 61 0.942 3.270 21.935 1.00 4.21 N ATOM 0 H ARG A 61 1.531 0.205 16.688 1.00 74.33 H new ATOM 0 HA ARG A 61 0.622 1.513 14.352 1.00 53.01 H new ATOM 0 HB2 ARG A 61 -0.998 2.639 15.910 1.00 21.34 H new ATOM 0 HB3 ARG A 61 -1.056 0.891 15.805 1.00 21.34 H new ATOM 0 HG2 ARG A 61 -1.372 1.489 18.092 1.00 2.11 H new ATOM 0 HG3 ARG A 61 0.211 0.750 17.955 1.00 2.11 H new ATOM 0 HD2 ARG A 61 1.200 3.075 17.870 1.00 72.42 H new ATOM 0 HD3 ARG A 61 -0.397 3.706 18.218 1.00 72.42 H new ATOM 0 HE ARG A 61 0.438 1.657 20.123 1.00 4.51 H new ATOM 0 HH11 ARG A 61 0.578 5.090 19.319 1.00 42.12 H new ATOM 0 HH12 ARG A 61 0.939 5.581 20.977 1.00 42.12 H new ATOM 0 HH21 ARG A 61 0.921 2.294 22.230 1.00 4.21 H new ATOM 0 HH22 ARG A 61 1.132 4.004 22.617 1.00 4.21 H new ATOM 982 N ASN A 62 2.495 3.305 16.282 1.00 60.14 N ATOM 983 CA ASN A 62 3.260 4.536 16.343 1.00 54.12 C ATOM 984 C ASN A 62 4.334 4.523 15.264 1.00 52.55 C ATOM 985 O ASN A 62 4.679 5.547 14.692 1.00 63.11 O ATOM 986 CB ASN A 62 3.870 4.736 17.748 1.00 75.12 C ATOM 987 CG ASN A 62 4.683 6.022 17.879 1.00 51.12 C ATOM 988 OD1 ASN A 62 4.136 7.087 18.172 1.00 42.14 O ATOM 989 ND2 ASN A 62 5.976 5.931 17.705 1.00 24.01 N ATOM 0 H ASN A 62 2.731 2.629 17.009 1.00 60.14 H new ATOM 0 HA ASN A 62 2.595 5.380 16.159 1.00 54.12 H new ATOM 0 HB2 ASN A 62 3.068 4.745 18.486 1.00 75.12 H new ATOM 0 HB3 ASN A 62 4.510 3.885 17.983 1.00 75.12 H new ATOM 0 HD21 ASN A 62 6.564 6.757 17.811 1.00 24.01 H new ATOM 0 HD22 ASN A 62 6.396 5.034 17.463 1.00 24.01 H new ATOM 996 N LEU A 63 4.825 3.331 14.978 1.00 21.15 N ATOM 997 CA LEU A 63 5.862 3.128 13.980 1.00 1.44 C ATOM 998 C LEU A 63 5.318 3.317 12.565 1.00 65.22 C ATOM 999 O LEU A 63 5.987 3.878 11.705 1.00 45.01 O ATOM 1000 CB LEU A 63 6.472 1.723 14.116 1.00 55.20 C ATOM 1001 CG LEU A 63 7.152 1.388 15.450 1.00 34.42 C ATOM 1002 CD1 LEU A 63 7.682 -0.032 15.421 1.00 64.15 C ATOM 1003 CD2 LEU A 63 8.288 2.356 15.718 1.00 52.32 C ATOM 0 H LEU A 63 4.515 2.472 15.433 1.00 21.15 H new ATOM 0 HA LEU A 63 6.636 3.876 14.154 1.00 1.44 H new ATOM 0 HB2 LEU A 63 5.682 0.992 13.945 1.00 55.20 H new ATOM 0 HB3 LEU A 63 7.205 1.593 13.320 1.00 55.20 H new ATOM 0 HG LEU A 63 6.416 1.478 16.249 1.00 34.42 H new ATOM 0 HD11 LEU A 63 8.163 -0.260 16.372 1.00 64.15 H new ATOM 0 HD12 LEU A 63 6.857 -0.725 15.256 1.00 64.15 H new ATOM 0 HD13 LEU A 63 8.408 -0.133 14.614 1.00 64.15 H new ATOM 0 HD21 LEU A 63 8.762 2.107 16.668 1.00 52.32 H new ATOM 0 HD22 LEU A 63 9.023 2.285 14.916 1.00 52.32 H new ATOM 0 HD23 LEU A 63 7.897 3.372 15.763 1.00 52.32 H new ATOM 1015 N ILE A 64 4.105 2.853 12.324 1.00 44.11 N ATOM 1016 CA ILE A 64 3.520 2.949 10.990 1.00 34.40 C ATOM 1017 C ILE A 64 3.187 4.406 10.657 1.00 34.35 C ATOM 1018 O ILE A 64 3.356 4.848 9.527 1.00 5.54 O ATOM 1019 CB ILE A 64 2.257 2.037 10.832 1.00 44.15 C ATOM 1020 CG1 ILE A 64 1.805 1.984 9.360 1.00 32.33 C ATOM 1021 CG2 ILE A 64 1.118 2.535 11.724 1.00 41.42 C ATOM 1022 CD1 ILE A 64 0.625 1.065 9.105 1.00 43.42 C ATOM 0 H ILE A 64 3.508 2.410 13.023 1.00 44.11 H new ATOM 0 HA ILE A 64 4.263 2.587 10.280 1.00 34.40 H new ATOM 0 HB ILE A 64 2.524 1.028 11.146 1.00 44.15 H new ATOM 0 HG12 ILE A 64 1.544 2.991 9.035 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.644 1.659 8.745 1.00 32.33 H new ATOM 0 HG21 ILE A 64 0.249 1.888 11.600 1.00 41.42 H new ATOM 0 HG22 ILE A 64 1.438 2.518 12.766 1.00 41.42 H new ATOM 0 HG23 ILE A 64 0.854 3.554 11.442 1.00 41.42 H new ATOM 0 HD11 ILE A 64 0.370 1.085 8.045 1.00 43.42 H new ATOM 0 HD12 ILE A 64 0.887 0.048 9.396 1.00 43.42 H new ATOM 0 HD13 ILE A 64 -0.231 1.401 9.690 1.00 43.42 H new ATOM 1034 N ARG A 65 2.789 5.162 11.679 1.00 41.34 N ATOM 1035 CA ARG A 65 2.427 6.563 11.510 1.00 12.42 C ATOM 1036 C ARG A 65 3.682 7.440 11.592 1.00 40.24 C ATOM 1037 O ARG A 65 3.611 8.661 11.639 1.00 31.55 O ATOM 1038 CB ARG A 65 1.398 6.994 12.568 1.00 64.40 C ATOM 1039 CG ARG A 65 1.915 6.954 13.982 1.00 4.23 C ATOM 1040 CD ARG A 65 0.878 7.413 14.996 1.00 62.54 C ATOM 1041 NE ARG A 65 1.458 7.489 16.348 1.00 1.23 N ATOM 1042 CZ ARG A 65 0.787 7.411 17.508 1.00 45.15 C ATOM 1043 NH1 ARG A 65 -0.513 7.100 17.531 1.00 33.25 N ATOM 1044 NH2 ARG A 65 1.437 7.598 18.645 1.00 32.22 N ATOM 0 H ARG A 65 2.710 4.822 12.638 1.00 41.34 H new ATOM 0 HA ARG A 65 1.971 6.688 10.528 1.00 12.42 H new ATOM 0 HB2 ARG A 65 1.065 8.007 12.343 1.00 64.40 H new ATOM 0 HB3 ARG A 65 0.524 6.347 12.494 1.00 64.40 H new ATOM 0 HG2 ARG A 65 2.228 5.938 14.222 1.00 4.23 H new ATOM 0 HG3 ARG A 65 2.799 7.587 14.060 1.00 4.23 H new ATOM 0 HD2 ARG A 65 0.490 8.390 14.708 1.00 62.54 H new ATOM 0 HD3 ARG A 65 0.035 6.723 14.997 1.00 62.54 H new ATOM 0 HE ARG A 65 2.469 7.613 16.409 1.00 1.23 H new ATOM 0 HH11 ARG A 65 -1.009 6.918 16.659 1.00 33.25 H new ATOM 0 HH12 ARG A 65 -1.009 7.045 18.421 1.00 33.25 H new ATOM 0 HH21 ARG A 65 2.437 7.799 18.634 1.00 32.22 H new ATOM 0 HH22 ARG A 65 0.938 7.541 19.533 1.00 32.22 H new ATOM 1058 N ARG A 66 4.833 6.788 11.621 1.00 33.41 N ATOM 1059 CA ARG A 66 6.104 7.470 11.627 1.00 64.32 C ATOM 1060 C ARG A 66 6.447 7.939 10.215 1.00 3.11 C ATOM 1061 O ARG A 66 7.282 8.807 10.028 1.00 61.04 O ATOM 1062 CB ARG A 66 7.214 6.542 12.202 1.00 24.11 C ATOM 1063 CG ARG A 66 8.654 7.065 12.113 1.00 53.41 C ATOM 1064 CD ARG A 66 8.863 8.368 12.868 1.00 61.14 C ATOM 1065 NE ARG A 66 10.227 8.871 12.688 1.00 12.21 N ATOM 1066 CZ ARG A 66 10.600 10.160 12.755 1.00 4.22 C ATOM 1067 NH1 ARG A 66 9.716 11.104 13.054 1.00 34.25 N ATOM 1068 NH2 ARG A 66 11.857 10.492 12.533 1.00 13.34 N ATOM 0 H ARG A 66 4.906 5.771 11.641 1.00 33.41 H new ATOM 0 HA ARG A 66 6.039 8.347 12.271 1.00 64.32 H new ATOM 0 HB2 ARG A 66 6.986 6.345 13.250 1.00 24.11 H new ATOM 0 HB3 ARG A 66 7.165 5.586 11.680 1.00 24.11 H new ATOM 0 HG2 ARG A 66 9.334 6.310 12.508 1.00 53.41 H new ATOM 0 HG3 ARG A 66 8.916 7.213 11.065 1.00 53.41 H new ATOM 0 HD2 ARG A 66 8.149 9.113 12.518 1.00 61.14 H new ATOM 0 HD3 ARG A 66 8.667 8.212 13.929 1.00 61.14 H new ATOM 0 HE ARG A 66 10.956 8.184 12.495 1.00 12.21 H new ATOM 0 HH11 ARG A 66 8.744 10.853 13.235 1.00 34.25 H new ATOM 0 HH12 ARG A 66 10.009 12.080 13.103 1.00 34.25 H new ATOM 0 HH21 ARG A 66 12.543 9.771 12.311 1.00 13.34 H new ATOM 0 HH22 ARG A 66 12.143 11.470 12.583 1.00 13.34 H new ATOM 1082 N HIS A 67 5.768 7.383 9.230 1.00 52.03 N ATOM 1083 CA HIS A 67 6.066 7.693 7.846 1.00 73.20 C ATOM 1084 C HIS A 67 4.788 8.191 7.195 1.00 12.13 C ATOM 1085 O HIS A 67 3.703 7.796 7.605 1.00 45.12 O ATOM 1086 CB HIS A 67 6.523 6.422 7.079 1.00 73.23 C ATOM 1087 CG HIS A 67 7.499 5.526 7.800 1.00 11.22 C ATOM 1088 ND1 HIS A 67 8.866 5.560 7.630 1.00 23.41 N ATOM 1089 CD2 HIS A 67 7.268 4.527 8.685 1.00 51.13 C ATOM 1090 CE1 HIS A 67 9.420 4.629 8.377 1.00 3.54 C ATOM 1091 NE2 HIS A 67 8.475 3.995 9.018 1.00 2.41 N ATOM 0 H HIS A 67 5.008 6.716 9.362 1.00 52.03 H new ATOM 0 HA HIS A 67 6.862 8.437 7.812 1.00 73.20 H new ATOM 0 HB2 HIS A 67 5.639 5.835 6.830 1.00 73.23 H new ATOM 0 HB3 HIS A 67 6.975 6.734 6.137 1.00 73.23 H new ATOM 0 HD1 HIS A 67 9.369 6.205 7.021 1.00 23.41 H new ATOM 0 HD2 HIS A 67 6.305 4.211 9.057 1.00 51.13 H new ATOM 0 HE1 HIS A 67 10.478 4.424 8.448 1.00 3.54 H new ATOM 1100 N GLU A 68 4.915 9.038 6.194 1.00 60.34 N ATOM 1101 CA GLU A 68 3.756 9.515 5.447 1.00 71.14 C ATOM 1102 C GLU A 68 3.119 8.407 4.643 1.00 32.24 C ATOM 1103 O GLU A 68 3.806 7.577 4.055 1.00 61.21 O ATOM 1104 CB GLU A 68 4.121 10.691 4.553 1.00 52.33 C ATOM 1105 CG GLU A 68 4.145 12.020 5.262 1.00 75.10 C ATOM 1106 CD GLU A 68 2.751 12.441 5.674 1.00 0.44 C ATOM 1107 OE1 GLU A 68 2.391 12.299 6.845 1.00 44.04 O ATOM 1108 OE2 GLU A 68 1.991 12.905 4.799 1.00 74.11 O ATOM 0 H GLU A 68 5.808 9.414 5.874 1.00 60.34 H new ATOM 0 HA GLU A 68 3.022 9.860 6.176 1.00 71.14 H new ATOM 0 HB2 GLU A 68 5.102 10.508 4.113 1.00 52.33 H new ATOM 0 HB3 GLU A 68 3.408 10.743 3.731 1.00 52.33 H new ATOM 0 HG2 GLU A 68 4.784 11.955 6.143 1.00 75.10 H new ATOM 0 HG3 GLU A 68 4.579 12.777 4.609 1.00 75.10 H new ATOM 1115 N ARG A 69 1.813 8.419 4.600 1.00 21.22 N ATOM 1116 CA ARG A 69 1.037 7.393 3.934 1.00 35.42 C ATOM 1117 C ARG A 69 1.217 7.451 2.425 1.00 55.33 C ATOM 1118 O ARG A 69 1.243 6.418 1.756 1.00 74.14 O ATOM 1119 CB ARG A 69 -0.426 7.485 4.381 1.00 31.41 C ATOM 1120 CG ARG A 69 -0.556 7.242 5.867 1.00 11.52 C ATOM 1121 CD ARG A 69 -1.914 7.607 6.407 1.00 12.13 C ATOM 1122 NE ARG A 69 -2.175 9.044 6.307 1.00 32.50 N ATOM 1123 CZ ARG A 69 -2.145 9.905 7.344 1.00 70.44 C ATOM 1124 NH1 ARG A 69 -1.689 9.518 8.533 1.00 31.12 N ATOM 1125 NH2 ARG A 69 -2.527 11.157 7.167 1.00 43.30 N ATOM 0 H ARG A 69 1.246 9.149 5.031 1.00 21.22 H new ATOM 0 HA ARG A 69 1.404 6.409 4.228 1.00 35.42 H new ATOM 0 HB2 ARG A 69 -0.824 8.469 4.134 1.00 31.41 H new ATOM 0 HB3 ARG A 69 -1.023 6.754 3.836 1.00 31.41 H new ATOM 0 HG2 ARG A 69 -0.359 6.191 6.076 1.00 11.52 H new ATOM 0 HG3 ARG A 69 0.205 7.820 6.392 1.00 11.52 H new ATOM 0 HD2 ARG A 69 -2.681 7.060 5.859 1.00 12.13 H new ATOM 0 HD3 ARG A 69 -1.985 7.297 7.450 1.00 12.13 H new ATOM 0 HE ARG A 69 -2.396 9.421 5.385 1.00 32.50 H new ATOM 0 HH11 ARG A 69 -1.358 8.562 8.666 1.00 31.12 H new ATOM 0 HH12 ARG A 69 -1.670 10.177 9.311 1.00 31.12 H new ATOM 0 HH21 ARG A 69 -2.843 11.469 6.249 1.00 43.30 H new ATOM 0 HH22 ARG A 69 -2.506 11.812 7.949 1.00 43.30 H new ATOM 1139 N ASP A 70 1.375 8.657 1.901 1.00 34.14 N ATOM 1140 CA ASP A 70 1.679 8.851 0.480 1.00 41.32 C ATOM 1141 C ASP A 70 3.059 8.295 0.179 1.00 52.35 C ATOM 1142 O ASP A 70 3.267 7.591 -0.808 1.00 1.15 O ATOM 1143 CB ASP A 70 1.648 10.348 0.093 1.00 11.53 C ATOM 1144 CG ASP A 70 0.273 10.990 0.131 1.00 72.42 C ATOM 1145 OD1 ASP A 70 -0.357 11.120 -0.945 1.00 11.42 O ATOM 1146 OD2 ASP A 70 -0.192 11.391 1.223 1.00 22.25 O ATOM 0 H ASP A 70 1.299 9.522 2.435 1.00 34.14 H new ATOM 0 HA ASP A 70 0.919 8.328 -0.100 1.00 41.32 H new ATOM 0 HB2 ASP A 70 2.307 10.896 0.766 1.00 11.53 H new ATOM 0 HB3 ASP A 70 2.056 10.457 -0.912 1.00 11.53 H new ATOM 1151 N GLU A 71 3.977 8.589 1.076 1.00 52.52 N ATOM 1152 CA GLU A 71 5.377 8.214 0.959 1.00 62.14 C ATOM 1153 C GLU A 71 5.512 6.679 0.973 1.00 43.42 C ATOM 1154 O GLU A 71 6.171 6.091 0.104 1.00 1.41 O ATOM 1155 CB GLU A 71 6.115 8.807 2.150 1.00 63.42 C ATOM 1156 CG GLU A 71 7.617 8.815 2.058 1.00 72.12 C ATOM 1157 CD GLU A 71 8.138 9.743 0.973 1.00 54.33 C ATOM 1158 OE1 GLU A 71 7.688 10.896 0.911 1.00 51.43 O ATOM 1159 OE2 GLU A 71 9.043 9.344 0.206 1.00 71.40 O ATOM 0 H GLU A 71 3.768 9.108 1.929 1.00 52.52 H new ATOM 0 HA GLU A 71 5.795 8.587 0.024 1.00 62.14 H new ATOM 0 HB2 GLU A 71 5.774 9.833 2.289 1.00 63.42 H new ATOM 0 HB3 GLU A 71 5.828 8.252 3.043 1.00 63.42 H new ATOM 0 HG2 GLU A 71 8.033 9.118 3.019 1.00 72.12 H new ATOM 0 HG3 GLU A 71 7.969 7.802 1.863 1.00 72.12 H new ATOM 1166 N ILE A 72 4.864 6.039 1.966 1.00 23.12 N ATOM 1167 CA ILE A 72 4.874 4.575 2.102 1.00 2.25 C ATOM 1168 C ILE A 72 4.293 3.933 0.850 1.00 61.22 C ATOM 1169 O ILE A 72 4.825 2.954 0.337 1.00 0.13 O ATOM 1170 CB ILE A 72 4.023 4.083 3.327 1.00 34.12 C ATOM 1171 CG1 ILE A 72 4.547 4.644 4.655 1.00 51.34 C ATOM 1172 CG2 ILE A 72 3.975 2.549 3.386 1.00 62.22 C ATOM 1173 CD1 ILE A 72 3.714 4.226 5.861 1.00 11.24 C ATOM 0 H ILE A 72 4.326 6.519 2.687 1.00 23.12 H new ATOM 0 HA ILE A 72 5.913 4.284 2.253 1.00 2.25 H new ATOM 0 HB ILE A 72 3.012 4.462 3.180 1.00 34.12 H new ATOM 0 HG12 ILE A 72 5.575 4.312 4.800 1.00 51.34 H new ATOM 0 HG13 ILE A 72 4.569 5.732 4.598 1.00 51.34 H new ATOM 0 HG21 ILE A 72 3.379 2.236 4.244 1.00 62.22 H new ATOM 0 HG22 ILE A 72 3.524 2.164 2.471 1.00 62.22 H new ATOM 0 HG23 ILE A 72 4.987 2.157 3.485 1.00 62.22 H new ATOM 0 HD11 ILE A 72 4.141 4.658 6.766 1.00 11.24 H new ATOM 0 HD12 ILE A 72 2.691 4.581 5.737 1.00 11.24 H new ATOM 0 HD13 ILE A 72 3.713 3.139 5.943 1.00 11.24 H new ATOM 1185 N MET A 73 3.223 4.521 0.348 1.00 12.11 N ATOM 1186 CA MET A 73 2.497 3.973 -0.779 1.00 35.10 C ATOM 1187 C MET A 73 3.388 3.918 -2.035 1.00 34.00 C ATOM 1188 O MET A 73 3.358 2.930 -2.781 1.00 61.23 O ATOM 1189 CB MET A 73 1.189 4.766 -0.994 1.00 21.52 C ATOM 1190 CG MET A 73 0.188 4.163 -1.984 1.00 53.23 C ATOM 1191 SD MET A 73 0.750 4.156 -3.683 1.00 70.45 S ATOM 1192 CE MET A 73 -0.622 3.380 -4.474 1.00 12.02 C ATOM 0 H MET A 73 2.834 5.391 0.711 1.00 12.11 H new ATOM 0 HA MET A 73 2.217 2.941 -0.567 1.00 35.10 H new ATOM 0 HB2 MET A 73 0.693 4.877 -0.030 1.00 21.52 H new ATOM 0 HB3 MET A 73 1.448 5.768 -1.336 1.00 21.52 H new ATOM 0 HG2 MET A 73 -0.033 3.139 -1.682 1.00 53.23 H new ATOM 0 HG3 MET A 73 -0.746 4.721 -1.924 1.00 53.23 H new ATOM 0 HE1 MET A 73 -0.368 2.347 -4.713 1.00 12.02 H new ATOM 0 HE2 MET A 73 -1.484 3.396 -3.807 1.00 12.02 H new ATOM 0 HE3 MET A 73 -0.864 3.916 -5.392 1.00 12.02 H new ATOM 1202 N GLU A 74 4.205 4.953 -2.253 1.00 42.34 N ATOM 1203 CA GLU A 74 5.142 4.938 -3.382 1.00 1.42 C ATOM 1204 C GLU A 74 6.116 3.791 -3.256 1.00 73.34 C ATOM 1205 O GLU A 74 6.447 3.118 -4.238 1.00 2.14 O ATOM 1206 CB GLU A 74 5.938 6.223 -3.490 1.00 15.23 C ATOM 1207 CG GLU A 74 5.140 7.438 -3.827 1.00 3.13 C ATOM 1208 CD GLU A 74 6.026 8.612 -4.099 1.00 24.40 C ATOM 1209 OE1 GLU A 74 6.233 9.436 -3.199 1.00 74.04 O ATOM 1210 OE2 GLU A 74 6.562 8.705 -5.223 1.00 54.25 O ATOM 0 H GLU A 74 4.238 5.794 -1.677 1.00 42.34 H new ATOM 0 HA GLU A 74 4.532 4.825 -4.278 1.00 1.42 H new ATOM 0 HB2 GLU A 74 6.450 6.395 -2.543 1.00 15.23 H new ATOM 0 HB3 GLU A 74 6.708 6.092 -4.250 1.00 15.23 H new ATOM 0 HG2 GLU A 74 4.520 7.238 -4.701 1.00 3.13 H new ATOM 0 HG3 GLU A 74 4.465 7.672 -3.004 1.00 3.13 H new ATOM 1217 N GLU A 75 6.568 3.573 -2.046 1.00 14.31 N ATOM 1218 CA GLU A 75 7.512 2.532 -1.752 1.00 41.20 C ATOM 1219 C GLU A 75 6.858 1.163 -2.026 1.00 21.43 C ATOM 1220 O GLU A 75 7.481 0.262 -2.599 1.00 24.33 O ATOM 1221 CB GLU A 75 7.966 2.671 -0.293 1.00 32.45 C ATOM 1222 CG GLU A 75 9.091 1.757 0.113 1.00 5.14 C ATOM 1223 CD GLU A 75 10.334 1.958 -0.718 1.00 0.43 C ATOM 1224 OE1 GLU A 75 11.148 2.815 -0.387 1.00 35.21 O ATOM 1225 OE2 GLU A 75 10.509 1.260 -1.709 1.00 60.32 O ATOM 0 H GLU A 75 6.286 4.120 -1.232 1.00 14.31 H new ATOM 0 HA GLU A 75 8.393 2.613 -2.389 1.00 41.20 H new ATOM 0 HB2 GLU A 75 8.275 3.702 -0.121 1.00 32.45 H new ATOM 0 HB3 GLU A 75 7.112 2.482 0.357 1.00 32.45 H new ATOM 0 HG2 GLU A 75 9.330 1.926 1.163 1.00 5.14 H new ATOM 0 HG3 GLU A 75 8.763 0.722 0.023 1.00 5.14 H new ATOM 1232 N LEU A 76 5.578 1.049 -1.657 1.00 71.32 N ATOM 1233 CA LEU A 76 4.792 -0.165 -1.889 1.00 62.52 C ATOM 1234 C LEU A 76 4.673 -0.429 -3.393 1.00 15.41 C ATOM 1235 O LEU A 76 4.926 -1.547 -3.861 1.00 34.22 O ATOM 1236 CB LEU A 76 3.365 -0.019 -1.318 1.00 13.34 C ATOM 1237 CG LEU A 76 3.215 0.323 0.169 1.00 63.12 C ATOM 1238 CD1 LEU A 76 1.755 0.437 0.533 1.00 41.22 C ATOM 1239 CD2 LEU A 76 3.881 -0.710 1.038 1.00 0.25 C ATOM 0 H LEU A 76 5.060 1.794 -1.191 1.00 71.32 H new ATOM 0 HA LEU A 76 5.303 -0.989 -1.391 1.00 62.52 H new ATOM 0 HB2 LEU A 76 2.854 0.754 -1.891 1.00 13.34 H new ATOM 0 HB3 LEU A 76 2.835 -0.954 -1.500 1.00 13.34 H new ATOM 0 HG LEU A 76 3.706 1.281 0.343 1.00 63.12 H new ATOM 0 HD11 LEU A 76 1.662 0.680 1.591 1.00 41.22 H new ATOM 0 HD12 LEU A 76 1.292 1.224 -0.062 1.00 41.22 H new ATOM 0 HD13 LEU A 76 1.255 -0.511 0.333 1.00 41.22 H new ATOM 0 HD21 LEU A 76 3.757 -0.438 2.086 1.00 0.25 H new ATOM 0 HD22 LEU A 76 3.426 -1.684 0.859 1.00 0.25 H new ATOM 0 HD23 LEU A 76 4.943 -0.756 0.799 1.00 0.25 H new ATOM 1251 N THR A 77 4.305 0.623 -4.144 1.00 12.53 N ATOM 1252 CA THR A 77 4.092 0.527 -5.576 1.00 52.32 C ATOM 1253 C THR A 77 5.344 0.007 -6.325 1.00 70.10 C ATOM 1254 O THR A 77 5.233 -0.795 -7.267 1.00 73.02 O ATOM 1255 CB THR A 77 3.669 1.910 -6.129 1.00 73.02 C ATOM 1256 OG1 THR A 77 2.495 2.345 -5.438 1.00 30.34 O ATOM 1257 CG2 THR A 77 3.362 1.850 -7.617 1.00 50.53 C ATOM 0 H THR A 77 4.150 1.557 -3.765 1.00 12.53 H new ATOM 0 HA THR A 77 3.298 -0.200 -5.746 1.00 52.32 H new ATOM 0 HB THR A 77 4.496 2.603 -5.976 1.00 73.02 H new ATOM 0 HG1 THR A 77 2.745 2.697 -4.558 1.00 30.34 H new ATOM 0 HG21 THR A 77 3.069 2.839 -7.968 1.00 50.53 H new ATOM 0 HG22 THR A 77 4.249 1.521 -8.158 1.00 50.53 H new ATOM 0 HG23 THR A 77 2.548 1.147 -7.792 1.00 50.53 H new ATOM 1265 N LYS A 78 6.527 0.424 -5.878 1.00 22.44 N ATOM 1266 CA LYS A 78 7.761 0.029 -6.546 1.00 63.24 C ATOM 1267 C LYS A 78 8.020 -1.464 -6.466 1.00 61.22 C ATOM 1268 O LYS A 78 8.360 -2.079 -7.457 1.00 44.32 O ATOM 1269 CB LYS A 78 8.972 0.805 -6.033 1.00 33.13 C ATOM 1270 CG LYS A 78 8.877 2.297 -6.255 1.00 42.22 C ATOM 1271 CD LYS A 78 10.182 3.074 -5.932 1.00 40.30 C ATOM 1272 CE LYS A 78 10.650 2.943 -4.473 1.00 42.53 C ATOM 1273 NZ LYS A 78 11.239 1.615 -4.147 1.00 52.23 N ATOM 0 H LYS A 78 6.655 1.028 -5.066 1.00 22.44 H new ATOM 0 HA LYS A 78 7.616 0.283 -7.596 1.00 63.24 H new ATOM 0 HB2 LYS A 78 9.091 0.612 -4.967 1.00 33.13 H new ATOM 0 HB3 LYS A 78 9.868 0.430 -6.527 1.00 33.13 H new ATOM 0 HG2 LYS A 78 8.606 2.482 -7.294 1.00 42.22 H new ATOM 0 HG3 LYS A 78 8.070 2.694 -5.639 1.00 42.22 H new ATOM 0 HD2 LYS A 78 10.975 2.718 -6.589 1.00 40.30 H new ATOM 0 HD3 LYS A 78 10.029 4.129 -6.159 1.00 40.30 H new ATOM 0 HE2 LYS A 78 11.389 3.718 -4.267 1.00 42.53 H new ATOM 0 HE3 LYS A 78 9.803 3.126 -3.812 1.00 42.53 H new ATOM 0 HZ1 LYS A 78 10.638 1.130 -3.450 1.00 52.23 H new ATOM 0 HZ2 LYS A 78 11.300 1.040 -5.012 1.00 52.23 H new ATOM 0 HZ3 LYS A 78 12.192 1.746 -3.751 1.00 52.23 H new ATOM 1287 N TYR A 79 7.836 -2.037 -5.302 1.00 43.10 N ATOM 1288 CA TYR A 79 8.085 -3.483 -5.089 1.00 10.33 C ATOM 1289 C TYR A 79 7.174 -4.364 -5.923 1.00 11.12 C ATOM 1290 O TYR A 79 7.569 -5.455 -6.366 1.00 14.22 O ATOM 1291 CB TYR A 79 7.996 -3.857 -3.610 1.00 11.04 C ATOM 1292 CG TYR A 79 9.191 -3.434 -2.787 1.00 61.30 C ATOM 1293 CD1 TYR A 79 9.748 -2.171 -2.917 1.00 30.23 C ATOM 1294 CD2 TYR A 79 9.769 -4.315 -1.887 1.00 3.10 C ATOM 1295 CE1 TYR A 79 10.843 -1.795 -2.170 1.00 41.01 C ATOM 1296 CE2 TYR A 79 10.862 -3.948 -1.135 1.00 53.40 C ATOM 1297 CZ TYR A 79 11.396 -2.684 -1.280 1.00 40.34 C ATOM 1298 OH TYR A 79 12.493 -2.311 -0.531 1.00 62.44 O ATOM 0 H TYR A 79 7.514 -1.541 -4.471 1.00 43.10 H new ATOM 0 HA TYR A 79 9.105 -3.668 -5.427 1.00 10.33 H new ATOM 0 HB2 TYR A 79 7.100 -3.404 -3.186 1.00 11.04 H new ATOM 0 HB3 TYR A 79 7.877 -4.937 -3.527 1.00 11.04 H new ATOM 0 HD1 TYR A 79 9.316 -1.470 -3.616 1.00 30.23 H new ATOM 0 HD2 TYR A 79 9.355 -5.306 -1.774 1.00 3.10 H new ATOM 0 HE1 TYR A 79 11.264 -0.807 -2.283 1.00 41.01 H new ATOM 0 HE2 TYR A 79 11.299 -4.645 -0.436 1.00 53.40 H new ATOM 0 HH TYR A 79 12.760 -3.054 0.050 1.00 62.44 H new ATOM 1308 N TYR A 80 5.978 -3.896 -6.150 1.00 54.12 N ATOM 1309 CA TYR A 80 5.010 -4.633 -6.923 1.00 63.11 C ATOM 1310 C TYR A 80 5.443 -4.672 -8.392 1.00 75.04 C ATOM 1311 O TYR A 80 5.220 -5.655 -9.096 1.00 72.41 O ATOM 1312 CB TYR A 80 3.651 -3.984 -6.772 1.00 41.12 C ATOM 1313 CG TYR A 80 2.525 -4.782 -7.349 1.00 54.14 C ATOM 1314 CD1 TYR A 80 2.146 -5.960 -6.753 1.00 62.13 C ATOM 1315 CD2 TYR A 80 1.834 -4.360 -8.477 1.00 62.22 C ATOM 1316 CE1 TYR A 80 1.121 -6.706 -7.243 1.00 61.21 C ATOM 1317 CE2 TYR A 80 0.790 -5.103 -8.977 1.00 11.31 C ATOM 1318 CZ TYR A 80 0.439 -6.281 -8.353 1.00 12.52 C ATOM 1319 OH TYR A 80 -0.609 -7.030 -8.828 1.00 51.52 O ATOM 0 H TYR A 80 5.645 -2.995 -5.806 1.00 54.12 H new ATOM 0 HA TYR A 80 4.947 -5.659 -6.561 1.00 63.11 H new ATOM 0 HB2 TYR A 80 3.457 -3.815 -5.713 1.00 41.12 H new ATOM 0 HB3 TYR A 80 3.672 -3.006 -7.252 1.00 41.12 H new ATOM 0 HD1 TYR A 80 2.674 -6.301 -5.875 1.00 62.13 H new ATOM 0 HD2 TYR A 80 2.119 -3.440 -8.966 1.00 62.22 H new ATOM 0 HE1 TYR A 80 0.845 -7.631 -6.759 1.00 61.21 H new ATOM 0 HE2 TYR A 80 0.250 -4.767 -9.850 1.00 11.31 H new ATOM 0 HH TYR A 80 -0.581 -7.923 -8.426 1.00 51.52 H new ATOM 1329 N LEU A 81 6.004 -3.593 -8.848 1.00 44.55 N ATOM 1330 CA LEU A 81 6.579 -3.528 -10.173 1.00 30.01 C ATOM 1331 C LEU A 81 7.930 -4.255 -10.265 1.00 53.31 C ATOM 1332 O LEU A 81 8.198 -4.971 -11.237 1.00 21.20 O ATOM 1333 CB LEU A 81 6.690 -2.089 -10.623 1.00 33.44 C ATOM 1334 CG LEU A 81 5.365 -1.371 -10.840 1.00 2.41 C ATOM 1335 CD1 LEU A 81 5.596 0.079 -11.198 1.00 30.20 C ATOM 1336 CD2 LEU A 81 4.575 -2.060 -11.933 1.00 73.20 C ATOM 0 H LEU A 81 6.080 -2.726 -8.316 1.00 44.55 H new ATOM 0 HA LEU A 81 5.906 -4.054 -10.851 1.00 30.01 H new ATOM 0 HB2 LEU A 81 7.266 -1.537 -9.881 1.00 33.44 H new ATOM 0 HB3 LEU A 81 7.257 -2.059 -11.553 1.00 33.44 H new ATOM 0 HG LEU A 81 4.795 -1.408 -9.912 1.00 2.41 H new ATOM 0 HD11 LEU A 81 4.637 0.574 -11.349 1.00 30.20 H new ATOM 0 HD12 LEU A 81 6.135 0.572 -10.389 1.00 30.20 H new ATOM 0 HD13 LEU A 81 6.183 0.138 -12.115 1.00 30.20 H new ATOM 0 HD21 LEU A 81 3.629 -1.540 -12.081 1.00 73.20 H new ATOM 0 HD22 LEU A 81 5.147 -2.044 -12.861 1.00 73.20 H new ATOM 0 HD23 LEU A 81 4.380 -3.093 -11.645 1.00 73.20 H new ATOM 1348 N ALA A 82 8.758 -4.081 -9.230 1.00 10.33 N ATOM 1349 CA ALA A 82 10.140 -4.593 -9.178 1.00 51.15 C ATOM 1350 C ALA A 82 10.269 -6.086 -9.492 1.00 33.20 C ATOM 1351 O ALA A 82 11.217 -6.499 -10.164 1.00 13.51 O ATOM 1352 CB ALA A 82 10.766 -4.286 -7.830 1.00 35.21 C ATOM 0 H ALA A 82 8.487 -3.573 -8.388 1.00 10.33 H new ATOM 0 HA ALA A 82 10.678 -4.073 -9.970 1.00 51.15 H new ATOM 0 HB1 ALA A 82 11.786 -4.670 -7.807 1.00 35.21 H new ATOM 0 HB2 ALA A 82 10.781 -3.208 -7.673 1.00 35.21 H new ATOM 0 HB3 ALA A 82 10.182 -4.760 -7.041 1.00 35.21 H new ATOM 1358 N ASN A 83 9.315 -6.889 -9.040 1.00 70.32 N ATOM 1359 CA ASN A 83 9.351 -8.361 -9.277 1.00 20.03 C ATOM 1360 C ASN A 83 9.195 -8.721 -10.764 1.00 34.23 C ATOM 1361 O ASN A 83 9.365 -9.871 -11.149 1.00 22.23 O ATOM 1362 CB ASN A 83 8.295 -9.107 -8.449 1.00 24.24 C ATOM 1363 CG ASN A 83 6.911 -8.619 -8.733 1.00 3.31 C ATOM 1364 OD1 ASN A 83 6.239 -9.083 -9.656 1.00 64.05 O ATOM 1365 ND2 ASN A 83 6.462 -7.703 -7.941 1.00 40.52 N ATOM 0 H ASN A 83 8.505 -6.568 -8.509 1.00 70.32 H new ATOM 0 HA ASN A 83 10.339 -8.685 -8.951 1.00 20.03 H new ATOM 0 HB2 ASN A 83 8.354 -10.174 -8.664 1.00 24.24 H new ATOM 0 HB3 ASN A 83 8.512 -8.983 -7.388 1.00 24.24 H new ATOM 0 HD21 ASN A 83 5.518 -7.337 -8.068 1.00 40.52 H new ATOM 0 HD22 ASN A 83 7.051 -7.346 -7.189 1.00 40.52 H new ATOM 1372 N HIS A 84 8.855 -7.742 -11.587 1.00 32.34 N ATOM 1373 CA HIS A 84 8.757 -7.933 -13.046 1.00 73.41 C ATOM 1374 C HIS A 84 10.085 -7.640 -13.726 1.00 32.52 C ATOM 1375 O HIS A 84 10.162 -7.564 -14.952 1.00 1.54 O ATOM 1376 CB HIS A 84 7.658 -7.051 -13.655 1.00 31.53 C ATOM 1377 CG HIS A 84 6.261 -7.597 -13.570 1.00 72.01 C ATOM 1378 ND1 HIS A 84 5.717 -8.206 -12.452 1.00 11.31 N ATOM 1379 CD2 HIS A 84 5.293 -7.638 -14.511 1.00 13.25 C ATOM 1380 CE1 HIS A 84 4.487 -8.590 -12.728 1.00 21.20 C ATOM 1381 NE2 HIS A 84 4.212 -8.253 -13.967 1.00 61.34 N ATOM 0 H HIS A 84 8.638 -6.795 -11.277 1.00 32.34 H new ATOM 0 HA HIS A 84 8.496 -8.978 -13.215 1.00 73.41 H new ATOM 0 HB2 HIS A 84 7.680 -6.081 -13.158 1.00 31.53 H new ATOM 0 HB3 HIS A 84 7.897 -6.877 -14.704 1.00 31.53 H new ATOM 0 HD1 HIS A 84 6.192 -8.336 -11.559 1.00 11.31 H new ATOM 0 HD2 HIS A 84 5.366 -7.251 -15.517 1.00 13.25 H new ATOM 0 HE1 HIS A 84 3.817 -9.097 -12.049 1.00 21.20 H new ATOM 0 HE2 HIS A 84 3.327 -8.426 -14.444 1.00 61.34 H new ATOM 1390 N GLY A 85 11.127 -7.472 -12.927 1.00 24.30 N ATOM 1391 CA GLY A 85 12.443 -7.204 -13.465 1.00 14.45 C ATOM 1392 C GLY A 85 12.581 -5.768 -13.881 1.00 1.51 C ATOM 1393 O GLY A 85 13.427 -5.423 -14.700 1.00 35.44 O ATOM 0 H GLY A 85 11.083 -7.517 -11.909 1.00 24.30 H new ATOM 0 HA2 GLY A 85 13.199 -7.442 -12.717 1.00 14.45 H new ATOM 0 HA3 GLY A 85 12.627 -7.852 -14.322 1.00 14.45 H new ATOM 1397 N ILE A 86 11.750 -4.934 -13.314 1.00 63.35 N ATOM 1398 CA ILE A 86 11.751 -3.537 -13.635 1.00 42.24 C ATOM 1399 C ILE A 86 12.600 -2.779 -12.641 1.00 43.44 C ATOM 1400 O ILE A 86 12.468 -2.960 -11.425 1.00 53.21 O ATOM 1401 CB ILE A 86 10.313 -2.950 -13.644 1.00 20.51 C ATOM 1402 CG1 ILE A 86 9.446 -3.677 -14.677 1.00 44.33 C ATOM 1403 CG2 ILE A 86 10.339 -1.448 -13.933 1.00 35.34 C ATOM 1404 CD1 ILE A 86 8.024 -3.168 -14.753 1.00 40.15 C ATOM 0 H ILE A 86 11.056 -5.206 -12.618 1.00 63.35 H new ATOM 0 HA ILE A 86 12.168 -3.428 -14.636 1.00 42.24 H new ATOM 0 HB ILE A 86 9.878 -3.099 -12.656 1.00 20.51 H new ATOM 0 HG12 ILE A 86 9.909 -3.579 -15.659 1.00 44.33 H new ATOM 0 HG13 ILE A 86 9.428 -4.740 -14.438 1.00 44.33 H new ATOM 0 HG21 ILE A 86 9.320 -1.060 -13.934 1.00 35.34 H new ATOM 0 HG22 ILE A 86 10.920 -0.939 -13.164 1.00 35.34 H new ATOM 0 HG23 ILE A 86 10.795 -1.273 -14.907 1.00 35.34 H new ATOM 0 HD11 ILE A 86 7.475 -3.733 -15.507 1.00 40.15 H new ATOM 0 HD12 ILE A 86 7.541 -3.292 -13.784 1.00 40.15 H new ATOM 0 HD13 ILE A 86 8.029 -2.112 -15.024 1.00 40.15 H new ATOM 1416 N ASP A 87 13.478 -1.967 -13.148 1.00 34.11 N ATOM 1417 CA ASP A 87 14.309 -1.126 -12.318 1.00 34.42 C ATOM 1418 C ASP A 87 13.643 0.213 -12.235 1.00 5.13 C ATOM 1419 O ASP A 87 13.413 0.847 -13.257 1.00 14.52 O ATOM 1420 CB ASP A 87 15.706 -0.981 -12.923 1.00 62.32 C ATOM 1421 CG ASP A 87 16.646 -0.187 -12.038 1.00 14.12 C ATOM 1422 OD1 ASP A 87 16.837 1.028 -12.262 1.00 75.15 O ATOM 1423 OD2 ASP A 87 17.222 -0.780 -11.102 1.00 4.42 O ATOM 0 H ASP A 87 13.644 -1.864 -14.149 1.00 34.11 H new ATOM 0 HA ASP A 87 14.424 -1.566 -11.328 1.00 34.42 H new ATOM 0 HB2 ASP A 87 16.127 -1.971 -13.097 1.00 62.32 H new ATOM 0 HB3 ASP A 87 15.628 -0.492 -13.894 1.00 62.32 H new ATOM 1428 N ILE A 88 13.303 0.634 -11.053 1.00 70.23 N ATOM 1429 CA ILE A 88 12.578 1.867 -10.887 1.00 13.51 C ATOM 1430 C ILE A 88 13.473 2.972 -10.364 1.00 64.31 C ATOM 1431 O ILE A 88 14.343 2.741 -9.515 1.00 23.32 O ATOM 1432 CB ILE A 88 11.352 1.667 -9.962 1.00 12.31 C ATOM 1433 CG1 ILE A 88 10.433 0.606 -10.566 1.00 30.52 C ATOM 1434 CG2 ILE A 88 10.593 2.979 -9.745 1.00 74.34 C ATOM 1435 CD1 ILE A 88 9.221 0.305 -9.744 1.00 63.13 C ATOM 0 H ILE A 88 13.515 0.143 -10.185 1.00 70.23 H new ATOM 0 HA ILE A 88 12.218 2.171 -11.870 1.00 13.51 H new ATOM 0 HB ILE A 88 11.703 1.332 -8.986 1.00 12.31 H new ATOM 0 HG12 ILE A 88 10.115 0.937 -11.554 1.00 30.52 H new ATOM 0 HG13 ILE A 88 11.001 -0.314 -10.706 1.00 30.52 H new ATOM 0 HG21 ILE A 88 9.739 2.801 -9.091 1.00 74.34 H new ATOM 0 HG22 ILE A 88 11.256 3.711 -9.285 1.00 74.34 H new ATOM 0 HG23 ILE A 88 10.243 3.360 -10.704 1.00 74.34 H new ATOM 0 HD11 ILE A 88 8.623 -0.457 -10.243 1.00 63.13 H new ATOM 0 HD12 ILE A 88 9.528 -0.059 -8.763 1.00 63.13 H new ATOM 0 HD13 ILE A 88 8.628 1.212 -9.625 1.00 63.13 H new ATOM 1767 N ALA B 19 -3.912 -9.771 -13.563 1.00 44.21 N ATOM 1768 CA ALA B 19 -4.154 -8.618 -14.415 1.00 24.24 C ATOM 1769 C ALA B 19 -3.578 -7.342 -13.832 1.00 43.42 C ATOM 1770 O ALA B 19 -2.974 -6.550 -14.552 1.00 31.24 O ATOM 1771 CB ALA B 19 -5.628 -8.430 -14.557 1.00 64.24 C ATOM 0 HA ALA B 19 -3.671 -8.809 -15.373 1.00 24.24 H new ATOM 0 HB1 ALA B 19 -5.825 -7.568 -15.194 1.00 64.24 H new ATOM 0 HB2 ALA B 19 -6.067 -9.321 -15.006 1.00 64.24 H new ATOM 0 HB3 ALA B 19 -6.070 -8.264 -13.575 1.00 64.24 H new ATOM 1777 N ILE B 20 -3.749 -7.161 -12.520 1.00 60.31 N ATOM 1778 CA ILE B 20 -3.311 -5.942 -11.838 1.00 32.32 C ATOM 1779 C ILE B 20 -1.817 -5.713 -12.046 1.00 60.13 C ATOM 1780 O ILE B 20 -1.376 -4.589 -12.282 1.00 75.25 O ATOM 1781 CB ILE B 20 -3.631 -5.985 -10.302 1.00 52.15 C ATOM 1782 CG1 ILE B 20 -5.142 -6.154 -10.064 1.00 4.04 C ATOM 1783 CG2 ILE B 20 -3.124 -4.720 -9.604 1.00 23.22 C ATOM 1784 CD1 ILE B 20 -5.539 -6.201 -8.596 1.00 14.12 C ATOM 0 H ILE B 20 -4.190 -7.847 -11.907 1.00 60.31 H new ATOM 0 HA ILE B 20 -3.867 -5.113 -12.277 1.00 32.32 H new ATOM 0 HB ILE B 20 -3.114 -6.845 -9.876 1.00 52.15 H new ATOM 0 HG12 ILE B 20 -5.669 -5.330 -10.545 1.00 4.04 H new ATOM 0 HG13 ILE B 20 -5.475 -7.072 -10.549 1.00 4.04 H new ATOM 0 HG21 ILE B 20 -3.357 -4.773 -8.541 1.00 23.22 H new ATOM 0 HG22 ILE B 20 -2.045 -4.640 -9.735 1.00 23.22 H new ATOM 0 HG23 ILE B 20 -3.608 -3.846 -10.039 1.00 23.22 H new ATOM 0 HD11 ILE B 20 -6.619 -6.322 -8.515 1.00 14.12 H new ATOM 0 HD12 ILE B 20 -5.043 -7.042 -8.112 1.00 14.12 H new ATOM 0 HD13 ILE B 20 -5.240 -5.273 -8.108 1.00 14.12 H new ATOM 1796 N SER B 21 -1.063 -6.783 -12.036 1.00 54.31 N ATOM 1797 CA SER B 21 0.379 -6.659 -12.154 1.00 52.21 C ATOM 1798 C SER B 21 0.799 -6.282 -13.572 1.00 35.43 C ATOM 1799 O SER B 21 1.727 -5.490 -13.766 1.00 55.42 O ATOM 1800 CB SER B 21 1.119 -7.902 -11.620 1.00 24.42 C ATOM 1801 OG SER B 21 0.698 -9.101 -12.257 1.00 64.43 O ATOM 0 H SER B 21 -1.410 -7.738 -11.949 1.00 54.31 H new ATOM 0 HA SER B 21 0.684 -5.833 -11.511 1.00 52.21 H new ATOM 0 HB2 SER B 21 2.191 -7.773 -11.767 1.00 24.42 H new ATOM 0 HB3 SER B 21 0.952 -7.987 -10.546 1.00 24.42 H new ATOM 0 HG SER B 21 1.195 -9.860 -11.887 1.00 64.43 H new ATOM 1807 N GLU B 22 0.082 -6.802 -14.551 1.00 1.25 N ATOM 1808 CA GLU B 22 0.362 -6.500 -15.941 1.00 74.15 C ATOM 1809 C GLU B 22 -0.130 -5.091 -16.276 1.00 63.31 C ATOM 1810 O GLU B 22 0.426 -4.407 -17.157 1.00 13.32 O ATOM 1811 CB GLU B 22 -0.295 -7.530 -16.854 1.00 14.35 C ATOM 1812 CG GLU B 22 0.141 -8.960 -16.575 1.00 33.50 C ATOM 1813 CD GLU B 22 1.637 -9.153 -16.701 1.00 43.31 C ATOM 1814 OE1 GLU B 22 2.349 -9.087 -15.673 1.00 54.21 O ATOM 1815 OE2 GLU B 22 2.120 -9.378 -17.820 1.00 13.14 O ATOM 0 H GLU B 22 -0.702 -7.438 -14.407 1.00 1.25 H new ATOM 0 HA GLU B 22 1.439 -6.543 -16.102 1.00 74.15 H new ATOM 0 HB2 GLU B 22 -1.377 -7.462 -16.745 1.00 14.35 H new ATOM 0 HB3 GLU B 22 -0.063 -7.284 -17.890 1.00 14.35 H new ATOM 0 HG2 GLU B 22 -0.173 -9.241 -15.570 1.00 33.50 H new ATOM 0 HG3 GLU B 22 -0.367 -9.631 -17.267 1.00 33.50 H new ATOM 1822 N THR B 23 -1.160 -4.662 -15.561 1.00 0.32 N ATOM 1823 CA THR B 23 -1.727 -3.345 -15.730 1.00 34.14 C ATOM 1824 C THR B 23 -0.712 -2.270 -15.327 1.00 20.45 C ATOM 1825 O THR B 23 -0.367 -1.399 -16.135 1.00 11.35 O ATOM 1826 CB THR B 23 -3.003 -3.188 -14.862 1.00 55.53 C ATOM 1827 OG1 THR B 23 -4.010 -4.130 -15.276 1.00 65.13 O ATOM 1828 CG2 THR B 23 -3.556 -1.777 -14.937 1.00 40.55 C ATOM 0 H THR B 23 -1.623 -5.224 -14.847 1.00 0.32 H new ATOM 0 HA THR B 23 -1.987 -3.223 -16.781 1.00 34.14 H new ATOM 0 HB THR B 23 -2.725 -3.389 -13.828 1.00 55.53 H new ATOM 0 HG1 THR B 23 -3.719 -5.039 -15.054 1.00 65.13 H new ATOM 0 HG21 THR B 23 -4.450 -1.703 -14.317 1.00 40.55 H new ATOM 0 HG22 THR B 23 -2.806 -1.073 -14.578 1.00 40.55 H new ATOM 0 HG23 THR B 23 -3.811 -1.540 -15.970 1.00 40.55 H new ATOM 1836 N LEU B 24 -0.184 -2.374 -14.112 1.00 71.21 N ATOM 1837 CA LEU B 24 0.767 -1.387 -13.617 1.00 23.11 C ATOM 1838 C LEU B 24 2.091 -1.455 -14.356 1.00 31.21 C ATOM 1839 O LEU B 24 2.774 -0.448 -14.497 1.00 1.32 O ATOM 1840 CB LEU B 24 0.950 -1.425 -12.080 1.00 61.23 C ATOM 1841 CG LEU B 24 -0.201 -0.851 -11.203 1.00 62.51 C ATOM 1842 CD1 LEU B 24 -1.515 -1.591 -11.388 1.00 12.31 C ATOM 1843 CD2 LEU B 24 0.205 -0.843 -9.739 1.00 32.23 C ATOM 0 H LEU B 24 -0.397 -3.126 -13.457 1.00 71.21 H new ATOM 0 HA LEU B 24 0.327 -0.414 -13.834 1.00 23.11 H new ATOM 0 HB2 LEU B 24 1.111 -2.462 -11.786 1.00 61.23 H new ATOM 0 HB3 LEU B 24 1.862 -0.880 -11.837 1.00 61.23 H new ATOM 0 HG LEU B 24 -0.372 0.172 -11.538 1.00 62.51 H new ATOM 0 HD11 LEU B 24 -2.277 -1.144 -10.750 1.00 12.31 H new ATOM 0 HD12 LEU B 24 -1.828 -1.522 -12.430 1.00 12.31 H new ATOM 0 HD13 LEU B 24 -1.384 -2.639 -11.117 1.00 12.31 H new ATOM 0 HD21 LEU B 24 -0.610 -0.439 -9.138 1.00 32.23 H new ATOM 0 HD22 LEU B 24 0.424 -1.861 -9.417 1.00 32.23 H new ATOM 0 HD23 LEU B 24 1.092 -0.223 -9.611 1.00 32.23 H new ATOM 1855 N GLU B 25 2.438 -2.649 -14.839 1.00 65.23 N ATOM 1856 CA GLU B 25 3.638 -2.852 -15.651 1.00 32.33 C ATOM 1857 C GLU B 25 3.544 -1.916 -16.869 1.00 20.00 C ATOM 1858 O GLU B 25 4.471 -1.155 -17.172 1.00 11.33 O ATOM 1859 CB GLU B 25 3.666 -4.341 -16.099 1.00 1.33 C ATOM 1860 CG GLU B 25 4.939 -4.858 -16.796 1.00 55.33 C ATOM 1861 CD GLU B 25 5.275 -4.176 -18.102 1.00 14.21 C ATOM 1862 OE1 GLU B 25 6.299 -3.491 -18.171 1.00 54.21 O ATOM 1863 OE2 GLU B 25 4.497 -4.319 -19.081 1.00 31.44 O ATOM 0 H GLU B 25 1.897 -3.499 -14.679 1.00 65.23 H new ATOM 0 HA GLU B 25 4.550 -2.630 -15.097 1.00 32.33 H new ATOM 0 HB2 GLU B 25 3.492 -4.959 -15.218 1.00 1.33 H new ATOM 0 HB3 GLU B 25 2.825 -4.504 -16.774 1.00 1.33 H new ATOM 0 HG2 GLU B 25 5.781 -4.740 -16.115 1.00 55.33 H new ATOM 0 HG3 GLU B 25 4.826 -5.926 -16.980 1.00 55.33 H new ATOM 1870 N THR B 26 2.385 -1.947 -17.511 1.00 22.40 N ATOM 1871 CA THR B 26 2.128 -1.153 -18.685 1.00 52.12 C ATOM 1872 C THR B 26 2.127 0.348 -18.338 1.00 44.02 C ATOM 1873 O THR B 26 2.674 1.176 -19.084 1.00 43.32 O ATOM 1874 CB THR B 26 0.767 -1.545 -19.308 1.00 35.35 C ATOM 1875 OG1 THR B 26 0.731 -2.972 -19.493 1.00 20.24 O ATOM 1876 CG2 THR B 26 0.608 -0.877 -20.663 1.00 21.11 C ATOM 0 H THR B 26 1.598 -2.529 -17.224 1.00 22.40 H new ATOM 0 HA THR B 26 2.922 -1.345 -19.407 1.00 52.12 H new ATOM 0 HB THR B 26 -0.037 -1.225 -18.645 1.00 35.35 H new ATOM 0 HG1 THR B 26 0.623 -3.412 -18.624 1.00 20.24 H new ATOM 0 HG21 THR B 26 -0.352 -1.157 -21.096 1.00 21.11 H new ATOM 0 HG22 THR B 26 0.650 0.205 -20.542 1.00 21.11 H new ATOM 0 HG23 THR B 26 1.412 -1.199 -21.324 1.00 21.11 H new ATOM 1884 N VAL B 27 1.528 0.678 -17.193 1.00 43.01 N ATOM 1885 CA VAL B 27 1.446 2.056 -16.725 1.00 74.40 C ATOM 1886 C VAL B 27 2.843 2.624 -16.463 1.00 44.51 C ATOM 1887 O VAL B 27 3.122 3.779 -16.792 1.00 12.50 O ATOM 1888 CB VAL B 27 0.580 2.179 -15.429 1.00 13.22 C ATOM 1889 CG1 VAL B 27 0.530 3.616 -14.937 1.00 5.04 C ATOM 1890 CG2 VAL B 27 -0.831 1.671 -15.667 1.00 72.40 C ATOM 0 H VAL B 27 1.090 0.000 -16.570 1.00 43.01 H new ATOM 0 HA VAL B 27 0.963 2.632 -17.514 1.00 74.40 H new ATOM 0 HB VAL B 27 1.052 1.563 -14.663 1.00 13.22 H new ATOM 0 HG11 VAL B 27 -0.079 3.671 -14.035 1.00 5.04 H new ATOM 0 HG12 VAL B 27 1.540 3.960 -14.714 1.00 5.04 H new ATOM 0 HG13 VAL B 27 0.093 4.250 -15.709 1.00 5.04 H new ATOM 0 HG21 VAL B 27 -1.412 1.768 -14.750 1.00 72.40 H new ATOM 0 HG22 VAL B 27 -1.300 2.257 -16.457 1.00 72.40 H new ATOM 0 HG23 VAL B 27 -0.795 0.623 -15.965 1.00 72.40 H new ATOM 1900 N TYR B 28 3.724 1.799 -15.912 1.00 14.44 N ATOM 1901 CA TYR B 28 5.058 2.250 -15.565 1.00 64.42 C ATOM 1902 C TYR B 28 5.820 2.705 -16.797 1.00 20.34 C ATOM 1903 O TYR B 28 6.277 3.843 -16.863 1.00 24.12 O ATOM 1904 CB TYR B 28 5.862 1.179 -14.793 1.00 63.42 C ATOM 1905 CG TYR B 28 7.234 1.683 -14.371 1.00 21.43 C ATOM 1906 CD1 TYR B 28 8.362 1.427 -15.138 1.00 63.14 C ATOM 1907 CD2 TYR B 28 7.384 2.455 -13.229 1.00 53.30 C ATOM 1908 CE1 TYR B 28 9.594 1.932 -14.778 1.00 62.44 C ATOM 1909 CE2 TYR B 28 8.615 2.955 -12.858 1.00 65.34 C ATOM 1910 CZ TYR B 28 9.716 2.696 -13.638 1.00 1.44 C ATOM 1911 OH TYR B 28 10.949 3.230 -13.296 1.00 0.42 O ATOM 0 H TYR B 28 3.537 0.819 -15.698 1.00 14.44 H new ATOM 0 HA TYR B 28 4.934 3.103 -14.897 1.00 64.42 H new ATOM 0 HB2 TYR B 28 5.302 0.873 -13.909 1.00 63.42 H new ATOM 0 HB3 TYR B 28 5.979 0.294 -15.418 1.00 63.42 H new ATOM 0 HD1 TYR B 28 8.274 0.824 -16.029 1.00 63.14 H new ATOM 0 HD2 TYR B 28 6.520 2.669 -12.618 1.00 53.30 H new ATOM 0 HE1 TYR B 28 10.461 1.729 -15.389 1.00 62.44 H new ATOM 0 HE2 TYR B 28 8.713 3.547 -11.960 1.00 65.34 H new ATOM 0 HH TYR B 28 11.269 3.805 -14.022 1.00 0.42 H new ATOM 1921 N ARG B 29 5.922 1.833 -17.779 1.00 1.21 N ATOM 1922 CA ARG B 29 6.647 2.159 -19.000 1.00 75.21 C ATOM 1923 C ARG B 29 6.010 3.307 -19.767 1.00 10.53 C ATOM 1924 O ARG B 29 6.707 4.063 -20.443 1.00 4.15 O ATOM 1925 CB ARG B 29 6.860 0.945 -19.884 1.00 60.05 C ATOM 1926 CG ARG B 29 7.848 -0.067 -19.317 1.00 50.44 C ATOM 1927 CD ARG B 29 7.983 -1.260 -20.241 1.00 13.42 C ATOM 1928 NE ARG B 29 6.737 -2.016 -20.319 1.00 45.21 N ATOM 1929 CZ ARG B 29 5.966 -2.149 -21.400 1.00 2.42 C ATOM 1930 NH1 ARG B 29 6.274 -1.516 -22.534 1.00 3.12 N ATOM 1931 NH2 ARG B 29 4.881 -2.906 -21.334 1.00 63.34 N ATOM 0 H ARG B 29 5.516 0.897 -17.761 1.00 1.21 H new ATOM 0 HA ARG B 29 7.632 2.501 -18.684 1.00 75.21 H new ATOM 0 HB2 ARG B 29 5.901 0.452 -20.044 1.00 60.05 H new ATOM 0 HB3 ARG B 29 7.215 1.276 -20.860 1.00 60.05 H new ATOM 0 HG2 ARG B 29 8.821 0.405 -19.180 1.00 50.44 H new ATOM 0 HG3 ARG B 29 7.513 -0.398 -18.334 1.00 50.44 H new ATOM 0 HD2 ARG B 29 8.267 -0.921 -21.237 1.00 13.42 H new ATOM 0 HD3 ARG B 29 8.783 -1.909 -19.885 1.00 13.42 H new ATOM 0 HE ARG B 29 6.427 -2.486 -19.469 1.00 45.21 H new ATOM 0 HH11 ARG B 29 7.104 -0.925 -22.579 1.00 3.12 H new ATOM 0 HH12 ARG B 29 5.679 -1.623 -23.356 1.00 3.12 H new ATOM 0 HH21 ARG B 29 4.642 -3.380 -20.463 1.00 63.34 H new ATOM 0 HH22 ARG B 29 4.284 -3.015 -22.154 1.00 63.34 H new ATOM 1945 N ALA B 30 4.693 3.441 -19.648 1.00 14.25 N ATOM 1946 CA ALA B 30 3.970 4.515 -20.312 1.00 41.21 C ATOM 1947 C ALA B 30 4.529 5.885 -19.909 1.00 33.32 C ATOM 1948 O ALA B 30 4.822 6.725 -20.770 1.00 31.42 O ATOM 1949 CB ALA B 30 2.480 4.433 -20.006 1.00 1.13 C ATOM 0 H ALA B 30 4.105 2.816 -19.096 1.00 14.25 H new ATOM 0 HA ALA B 30 4.106 4.397 -21.387 1.00 41.21 H new ATOM 0 HB1 ALA B 30 1.959 5.246 -20.513 1.00 1.13 H new ATOM 0 HB2 ALA B 30 2.089 3.478 -20.356 1.00 1.13 H new ATOM 0 HB3 ALA B 30 2.324 4.517 -18.930 1.00 1.13 H new ATOM 1955 N LEU B 31 4.689 6.110 -18.607 1.00 51.23 N ATOM 1956 CA LEU B 31 5.237 7.372 -18.156 1.00 60.24 C ATOM 1957 C LEU B 31 6.721 7.503 -18.387 1.00 31.34 C ATOM 1958 O LEU B 31 7.209 8.608 -18.564 1.00 13.23 O ATOM 1959 CB LEU B 31 4.859 7.781 -16.735 1.00 45.42 C ATOM 1960 CG LEU B 31 3.392 8.076 -16.484 1.00 14.05 C ATOM 1961 CD1 LEU B 31 2.579 6.828 -16.210 1.00 50.33 C ATOM 1962 CD2 LEU B 31 3.222 9.097 -15.410 1.00 54.44 C ATOM 0 H LEU B 31 4.452 5.449 -17.867 1.00 51.23 H new ATOM 0 HA LEU B 31 4.738 8.092 -18.805 1.00 60.24 H new ATOM 0 HB2 LEU B 31 5.168 6.985 -16.057 1.00 45.42 H new ATOM 0 HB3 LEU B 31 5.436 8.667 -16.470 1.00 45.42 H new ATOM 0 HG LEU B 31 2.995 8.496 -17.408 1.00 14.05 H new ATOM 0 HD11 LEU B 31 1.538 7.102 -16.038 1.00 50.33 H new ATOM 0 HD12 LEU B 31 2.641 6.158 -17.067 1.00 50.33 H new ATOM 0 HD13 LEU B 31 2.972 6.324 -15.327 1.00 50.33 H new ATOM 0 HD21 LEU B 31 2.160 9.287 -15.253 1.00 54.44 H new ATOM 0 HD22 LEU B 31 3.665 8.729 -14.485 1.00 54.44 H new ATOM 0 HD23 LEU B 31 3.716 10.022 -15.706 1.00 54.44 H new ATOM 1974 N GLU B 32 7.440 6.386 -18.377 1.00 41.25 N ATOM 1975 CA GLU B 32 8.885 6.400 -18.651 1.00 11.53 C ATOM 1976 C GLU B 32 9.148 6.929 -20.061 1.00 23.14 C ATOM 1977 O GLU B 32 10.058 7.728 -20.277 1.00 1.14 O ATOM 1978 CB GLU B 32 9.484 5.004 -18.486 1.00 71.23 C ATOM 1979 CG GLU B 32 9.392 4.454 -17.074 1.00 55.24 C ATOM 1980 CD GLU B 32 10.248 5.203 -16.065 1.00 13.34 C ATOM 1981 OE1 GLU B 32 9.913 6.330 -15.684 1.00 10.14 O ATOM 1982 OE2 GLU B 32 11.255 4.648 -15.606 1.00 4.31 O ATOM 0 H GLU B 32 7.055 5.461 -18.184 1.00 41.25 H new ATOM 0 HA GLU B 32 9.365 7.062 -17.930 1.00 11.53 H new ATOM 0 HB2 GLU B 32 8.976 4.319 -19.165 1.00 71.23 H new ATOM 0 HB3 GLU B 32 10.531 5.032 -18.786 1.00 71.23 H new ATOM 0 HG2 GLU B 32 8.352 4.486 -16.749 1.00 55.24 H new ATOM 0 HG3 GLU B 32 9.691 3.406 -17.082 1.00 55.24 H new ATOM 1989 N GLU B 33 8.317 6.505 -21.006 1.00 31.45 N ATOM 1990 CA GLU B 33 8.412 6.967 -22.389 1.00 51.24 C ATOM 1991 C GLU B 33 8.019 8.437 -22.516 1.00 21.12 C ATOM 1992 O GLU B 33 8.399 9.116 -23.473 1.00 51.45 O ATOM 1993 CB GLU B 33 7.581 6.087 -23.316 1.00 31.42 C ATOM 1994 CG GLU B 33 8.073 4.652 -23.383 1.00 23.12 C ATOM 1995 CD GLU B 33 9.482 4.550 -23.926 1.00 41.13 C ATOM 1996 OE1 GLU B 33 9.647 4.271 -25.124 1.00 24.43 O ATOM 1997 OE2 GLU B 33 10.457 4.750 -23.164 1.00 20.10 O ATOM 0 H GLU B 33 7.564 5.837 -20.839 1.00 31.45 H new ATOM 0 HA GLU B 33 9.455 6.884 -22.696 1.00 51.24 H new ATOM 0 HB2 GLU B 33 6.545 6.093 -22.979 1.00 31.42 H new ATOM 0 HB3 GLU B 33 7.592 6.515 -24.318 1.00 31.42 H new ATOM 0 HG2 GLU B 33 8.038 4.212 -22.386 1.00 23.12 H new ATOM 0 HG3 GLU B 33 7.401 4.069 -24.013 1.00 23.12 H new ATOM 2004 N LYS B 34 7.234 8.907 -21.569 1.00 74.11 N ATOM 2005 CA LYS B 34 6.835 10.308 -21.495 1.00 41.24 C ATOM 2006 C LYS B 34 7.808 11.135 -20.650 1.00 32.35 C ATOM 2007 O LYS B 34 7.701 12.362 -20.590 1.00 60.52 O ATOM 2008 CB LYS B 34 5.421 10.437 -20.936 1.00 53.01 C ATOM 2009 CG LYS B 34 4.297 10.215 -21.934 1.00 40.20 C ATOM 2010 CD LYS B 34 4.270 11.351 -22.950 1.00 45.51 C ATOM 2011 CE LYS B 34 3.070 11.264 -23.873 1.00 72.53 C ATOM 2012 NZ LYS B 34 3.012 12.414 -24.807 1.00 21.43 N ATOM 0 H LYS B 34 6.849 8.329 -20.822 1.00 74.11 H new ATOM 0 HA LYS B 34 6.856 10.702 -22.511 1.00 41.24 H new ATOM 0 HB2 LYS B 34 5.305 9.722 -20.121 1.00 53.01 H new ATOM 0 HB3 LYS B 34 5.309 11.432 -20.506 1.00 53.01 H new ATOM 0 HG2 LYS B 34 4.436 9.262 -22.445 1.00 40.20 H new ATOM 0 HG3 LYS B 34 3.342 10.160 -21.412 1.00 40.20 H new ATOM 0 HD2 LYS B 34 4.254 12.306 -22.425 1.00 45.51 H new ATOM 0 HD3 LYS B 34 5.185 11.328 -23.542 1.00 45.51 H new ATOM 0 HE2 LYS B 34 3.115 10.335 -24.442 1.00 72.53 H new ATOM 0 HE3 LYS B 34 2.156 11.231 -23.280 1.00 72.53 H new ATOM 0 HZ1 LYS B 34 2.179 12.320 -25.422 1.00 21.43 H new ATOM 0 HZ2 LYS B 34 2.944 13.299 -24.265 1.00 21.43 H new ATOM 0 HZ3 LYS B 34 3.873 12.431 -25.390 1.00 21.43 H new ATOM 2026 N GLY B 35 8.730 10.464 -19.991 1.00 24.30 N ATOM 2027 CA GLY B 35 9.716 11.139 -19.174 1.00 13.54 C ATOM 2028 C GLY B 35 9.168 11.615 -17.833 1.00 33.13 C ATOM 2029 O GLY B 35 9.840 12.366 -17.113 1.00 4.14 O ATOM 0 H GLY B 35 8.817 9.448 -20.006 1.00 24.30 H new ATOM 0 HA2 GLY B 35 10.554 10.464 -18.997 1.00 13.54 H new ATOM 0 HA3 GLY B 35 10.107 11.996 -19.723 1.00 13.54 H new ATOM 2033 N TYR B 36 7.971 11.172 -17.481 1.00 2.23 N ATOM 2034 CA TYR B 36 7.341 11.583 -16.228 1.00 70.55 C ATOM 2035 C TYR B 36 7.660 10.576 -15.141 1.00 74.11 C ATOM 2036 O TYR B 36 8.401 9.630 -15.372 1.00 33.41 O ATOM 2037 CB TYR B 36 5.813 11.697 -16.360 1.00 33.31 C ATOM 2038 CG TYR B 36 5.302 12.671 -17.399 1.00 12.54 C ATOM 2039 CD1 TYR B 36 4.336 12.279 -18.309 1.00 41.24 C ATOM 2040 CD2 TYR B 36 5.775 13.973 -17.467 1.00 52.20 C ATOM 2041 CE1 TYR B 36 3.850 13.152 -19.257 1.00 21.34 C ATOM 2042 CE2 TYR B 36 5.295 14.856 -18.418 1.00 54.01 C ATOM 2043 CZ TYR B 36 4.331 14.436 -19.308 1.00 50.42 C ATOM 2044 OH TYR B 36 3.840 15.311 -20.257 1.00 64.32 O ATOM 0 H TYR B 36 7.414 10.528 -18.042 1.00 2.23 H new ATOM 0 HA TYR B 36 7.738 12.566 -15.973 1.00 70.55 H new ATOM 0 HB2 TYR B 36 5.415 10.709 -16.592 1.00 33.31 H new ATOM 0 HB3 TYR B 36 5.406 11.986 -15.391 1.00 33.31 H new ATOM 0 HD1 TYR B 36 3.956 11.269 -18.275 1.00 41.24 H new ATOM 0 HD2 TYR B 36 6.529 14.302 -16.767 1.00 52.20 H new ATOM 0 HE1 TYR B 36 3.094 12.827 -19.957 1.00 21.34 H new ATOM 0 HE2 TYR B 36 5.673 15.867 -18.462 1.00 54.01 H new ATOM 0 HH TYR B 36 4.282 16.180 -20.160 1.00 64.32 H new ATOM 2054 N ASN B 37 7.105 10.779 -13.967 1.00 14.41 N ATOM 2055 CA ASN B 37 7.301 9.854 -12.863 1.00 40.32 C ATOM 2056 C ASN B 37 6.068 8.983 -12.675 1.00 3.43 C ATOM 2057 O ASN B 37 5.043 9.442 -12.149 1.00 44.54 O ATOM 2058 CB ASN B 37 7.644 10.585 -11.560 1.00 35.13 C ATOM 2059 CG ASN B 37 8.999 11.266 -11.584 1.00 72.44 C ATOM 2060 OD1 ASN B 37 9.924 10.832 -12.280 1.00 63.33 O ATOM 2061 ND2 ASN B 37 9.143 12.306 -10.810 1.00 23.13 N ATOM 0 H ASN B 37 6.511 11.579 -13.747 1.00 14.41 H new ATOM 0 HA ASN B 37 8.150 9.218 -13.115 1.00 40.32 H new ATOM 0 HB2 ASN B 37 6.875 11.331 -11.359 1.00 35.13 H new ATOM 0 HB3 ASN B 37 7.620 9.872 -10.736 1.00 35.13 H new ATOM 0 HD21 ASN B 37 10.041 12.788 -10.766 1.00 23.13 H new ATOM 0 HD22 ASN B 37 8.358 12.637 -10.249 1.00 23.13 H new ATOM 2068 N PRO B 38 6.137 7.714 -13.127 1.00 12.54 N ATOM 2069 CA PRO B 38 5.012 6.786 -13.063 1.00 21.22 C ATOM 2070 C PRO B 38 4.524 6.528 -11.653 1.00 34.15 C ATOM 2071 O PRO B 38 3.319 6.503 -11.414 1.00 1.43 O ATOM 2072 CB PRO B 38 5.548 5.483 -13.659 1.00 12.32 C ATOM 2073 CG PRO B 38 6.826 5.830 -14.340 1.00 63.44 C ATOM 2074 CD PRO B 38 7.324 7.107 -13.746 1.00 44.12 C ATOM 0 HA PRO B 38 4.156 7.200 -13.596 1.00 21.22 H new ATOM 0 HB2 PRO B 38 5.712 4.738 -12.881 1.00 12.32 H new ATOM 0 HB3 PRO B 38 4.835 5.056 -14.364 1.00 12.32 H new ATOM 0 HG2 PRO B 38 7.559 5.034 -14.206 1.00 63.44 H new ATOM 0 HG3 PRO B 38 6.670 5.942 -15.413 1.00 63.44 H new ATOM 0 HD2 PRO B 38 8.106 6.923 -13.009 1.00 44.12 H new ATOM 0 HD3 PRO B 38 7.751 7.759 -14.508 1.00 44.12 H new ATOM 2082 N ILE B 39 5.447 6.388 -10.713 1.00 63.52 N ATOM 2083 CA ILE B 39 5.081 6.047 -9.349 1.00 44.15 C ATOM 2084 C ILE B 39 4.288 7.181 -8.721 1.00 45.23 C ATOM 2085 O ILE B 39 3.253 6.941 -8.109 1.00 63.40 O ATOM 2086 CB ILE B 39 6.315 5.682 -8.475 1.00 41.30 C ATOM 2087 CG1 ILE B 39 7.121 4.535 -9.120 1.00 72.44 C ATOM 2088 CG2 ILE B 39 5.890 5.301 -7.059 1.00 41.12 C ATOM 2089 CD1 ILE B 39 6.340 3.251 -9.325 1.00 74.32 C ATOM 0 H ILE B 39 6.448 6.505 -10.869 1.00 63.52 H new ATOM 0 HA ILE B 39 4.456 5.155 -9.392 1.00 44.15 H new ATOM 0 HB ILE B 39 6.954 6.563 -8.414 1.00 41.30 H new ATOM 0 HG12 ILE B 39 7.499 4.872 -10.085 1.00 72.44 H new ATOM 0 HG13 ILE B 39 7.988 4.321 -8.495 1.00 72.44 H new ATOM 0 HG21 ILE B 39 6.772 5.050 -6.469 1.00 41.12 H new ATOM 0 HG22 ILE B 39 5.371 6.141 -6.597 1.00 41.12 H new ATOM 0 HG23 ILE B 39 5.223 4.440 -7.099 1.00 41.12 H new ATOM 0 HD11 ILE B 39 6.986 2.502 -9.783 1.00 74.32 H new ATOM 0 HD12 ILE B 39 5.984 2.884 -8.362 1.00 74.32 H new ATOM 0 HD13 ILE B 39 5.488 3.443 -9.977 1.00 74.32 H new ATOM 2101 N ASN B 40 4.754 8.421 -8.930 1.00 43.21 N ATOM 2102 CA ASN B 40 4.051 9.630 -8.435 1.00 51.15 C ATOM 2103 C ASN B 40 2.616 9.674 -8.922 1.00 11.44 C ATOM 2104 O ASN B 40 1.697 10.037 -8.176 1.00 40.45 O ATOM 2105 CB ASN B 40 4.750 10.935 -8.885 1.00 1.45 C ATOM 2106 CG ASN B 40 6.068 11.237 -8.189 1.00 31.42 C ATOM 2107 OD1 ASN B 40 6.968 11.820 -8.783 1.00 32.53 O ATOM 2108 ND2 ASN B 40 6.176 10.904 -6.934 1.00 21.53 N ATOM 0 H ASN B 40 5.615 8.621 -9.438 1.00 43.21 H new ATOM 0 HA ASN B 40 4.075 9.564 -7.347 1.00 51.15 H new ATOM 0 HB2 ASN B 40 4.929 10.881 -9.959 1.00 1.45 H new ATOM 0 HB3 ASN B 40 4.069 11.769 -8.717 1.00 1.45 H new ATOM 0 HD21 ASN B 40 7.027 11.128 -6.418 1.00 21.53 H new ATOM 0 HD22 ASN B 40 5.409 10.419 -6.467 1.00 21.53 H new ATOM 2115 N GLN B 41 2.416 9.326 -10.168 1.00 10.24 N ATOM 2116 CA GLN B 41 1.103 9.367 -10.736 1.00 43.32 C ATOM 2117 C GLN B 41 0.228 8.206 -10.238 1.00 52.04 C ATOM 2118 O GLN B 41 -0.967 8.382 -10.009 1.00 34.54 O ATOM 2119 CB GLN B 41 1.190 9.439 -12.249 1.00 13.44 C ATOM 2120 CG GLN B 41 2.067 10.602 -12.729 1.00 52.20 C ATOM 2121 CD GLN B 41 1.601 11.972 -12.280 1.00 42.34 C ATOM 2122 OE1 GLN B 41 2.415 12.868 -12.063 1.00 65.25 O ATOM 2123 NE2 GLN B 41 0.316 12.164 -12.196 1.00 34.22 N ATOM 0 H GLN B 41 3.149 9.012 -10.804 1.00 10.24 H new ATOM 0 HA GLN B 41 0.604 10.274 -10.396 1.00 43.32 H new ATOM 0 HB2 GLN B 41 1.593 8.501 -12.632 1.00 13.44 H new ATOM 0 HB3 GLN B 41 0.188 9.548 -12.663 1.00 13.44 H new ATOM 0 HG2 GLN B 41 3.084 10.444 -12.371 1.00 52.20 H new ATOM 0 HG3 GLN B 41 2.106 10.585 -13.818 1.00 52.20 H new ATOM 0 HE21 GLN B 41 -0.328 11.395 -12.384 1.00 34.22 H new ATOM 0 HE22 GLN B 41 -0.047 13.083 -11.943 1.00 34.22 H new ATOM 2132 N ILE B 42 0.834 7.029 -10.052 1.00 45.41 N ATOM 2133 CA ILE B 42 0.106 5.860 -9.537 1.00 11.25 C ATOM 2134 C ILE B 42 -0.339 6.095 -8.089 1.00 62.22 C ATOM 2135 O ILE B 42 -1.522 5.928 -7.763 1.00 41.01 O ATOM 2136 CB ILE B 42 0.934 4.538 -9.638 1.00 33.25 C ATOM 2137 CG1 ILE B 42 1.257 4.221 -11.109 1.00 25.41 C ATOM 2138 CG2 ILE B 42 0.177 3.371 -8.991 1.00 74.01 C ATOM 2139 CD1 ILE B 42 2.105 2.975 -11.312 1.00 13.22 C ATOM 0 H ILE B 42 1.820 6.859 -10.248 1.00 45.41 H new ATOM 0 HA ILE B 42 -0.772 5.737 -10.170 1.00 11.25 H new ATOM 0 HB ILE B 42 1.870 4.677 -9.098 1.00 33.25 H new ATOM 0 HG12 ILE B 42 0.322 4.102 -11.656 1.00 25.41 H new ATOM 0 HG13 ILE B 42 1.776 5.074 -11.546 1.00 25.41 H new ATOM 0 HG21 ILE B 42 0.772 2.461 -9.073 1.00 74.01 H new ATOM 0 HG22 ILE B 42 -0.004 3.593 -7.939 1.00 74.01 H new ATOM 0 HG23 ILE B 42 -0.776 3.228 -9.500 1.00 74.01 H new ATOM 0 HD11 ILE B 42 2.285 2.827 -12.377 1.00 13.22 H new ATOM 0 HD12 ILE B 42 3.058 3.095 -10.797 1.00 13.22 H new ATOM 0 HD13 ILE B 42 1.581 2.109 -10.908 1.00 13.22 H new ATOM 2151 N VAL B 43 0.599 6.515 -7.229 1.00 40.34 N ATOM 2152 CA VAL B 43 0.271 6.808 -5.828 1.00 14.23 C ATOM 2153 C VAL B 43 -0.800 7.915 -5.755 1.00 41.43 C ATOM 2154 O VAL B 43 -1.693 7.891 -4.893 1.00 63.14 O ATOM 2155 CB VAL B 43 1.542 7.166 -4.959 1.00 10.41 C ATOM 2156 CG1 VAL B 43 2.291 8.335 -5.548 1.00 63.25 C ATOM 2157 CG2 VAL B 43 1.150 7.500 -3.528 1.00 71.54 C ATOM 0 H VAL B 43 1.579 6.658 -7.475 1.00 40.34 H new ATOM 0 HA VAL B 43 -0.136 5.896 -5.391 1.00 14.23 H new ATOM 0 HB VAL B 43 2.188 6.288 -4.960 1.00 10.41 H new ATOM 0 HG11 VAL B 43 3.160 8.559 -4.930 1.00 63.25 H new ATOM 0 HG12 VAL B 43 2.618 8.086 -6.558 1.00 63.25 H new ATOM 0 HG13 VAL B 43 1.637 9.206 -5.583 1.00 63.25 H new ATOM 0 HG21 VAL B 43 2.044 7.742 -2.953 1.00 71.54 H new ATOM 0 HG22 VAL B 43 0.474 8.355 -3.526 1.00 71.54 H new ATOM 0 HG23 VAL B 43 0.651 6.642 -3.078 1.00 71.54 H new ATOM 2167 N GLY B 44 -0.716 8.862 -6.689 1.00 4.31 N ATOM 2168 CA GLY B 44 -1.707 9.898 -6.793 1.00 65.31 C ATOM 2169 C GLY B 44 -3.069 9.328 -7.132 1.00 45.00 C ATOM 2170 O GLY B 44 -4.065 9.654 -6.481 1.00 10.21 O ATOM 0 H GLY B 44 0.034 8.921 -7.378 1.00 4.31 H new ATOM 0 HA2 GLY B 44 -1.764 10.445 -5.852 1.00 65.31 H new ATOM 0 HA3 GLY B 44 -1.409 10.613 -7.560 1.00 65.31 H new ATOM 2174 N TYR B 45 -3.115 8.456 -8.135 1.00 31.45 N ATOM 2175 CA TYR B 45 -4.361 7.837 -8.554 1.00 22.11 C ATOM 2176 C TYR B 45 -5.022 7.026 -7.443 1.00 2.41 C ATOM 2177 O TYR B 45 -6.184 7.249 -7.135 1.00 2.23 O ATOM 2178 CB TYR B 45 -4.219 6.983 -9.845 1.00 72.25 C ATOM 2179 CG TYR B 45 -5.483 6.185 -10.151 1.00 43.22 C ATOM 2180 CD1 TYR B 45 -5.488 4.799 -10.089 1.00 73.23 C ATOM 2181 CD2 TYR B 45 -6.676 6.822 -10.432 1.00 3.12 C ATOM 2182 CE1 TYR B 45 -6.646 4.079 -10.298 1.00 31.33 C ATOM 2183 CE2 TYR B 45 -7.836 6.111 -10.654 1.00 13.50 C ATOM 2184 CZ TYR B 45 -7.815 4.742 -10.582 1.00 54.44 C ATOM 2185 OH TYR B 45 -8.976 4.031 -10.753 1.00 51.22 O ATOM 0 H TYR B 45 -2.299 8.164 -8.672 1.00 31.45 H new ATOM 0 HA TYR B 45 -5.019 8.673 -8.791 1.00 22.11 H new ATOM 0 HB2 TYR B 45 -3.991 7.636 -10.687 1.00 72.25 H new ATOM 0 HB3 TYR B 45 -3.377 6.299 -9.735 1.00 72.25 H new ATOM 0 HD1 TYR B 45 -4.569 4.274 -9.873 1.00 73.23 H new ATOM 0 HD2 TYR B 45 -6.701 7.901 -10.479 1.00 3.12 H new ATOM 0 HE1 TYR B 45 -6.634 3.001 -10.239 1.00 31.33 H new ATOM 0 HE2 TYR B 45 -8.755 6.629 -10.883 1.00 13.50 H new ATOM 0 HH TYR B 45 -9.712 4.648 -10.947 1.00 51.22 H new ATOM 2195 N LEU B 46 -4.297 6.104 -6.840 1.00 73.33 N ATOM 2196 CA LEU B 46 -4.903 5.245 -5.825 1.00 15.44 C ATOM 2197 C LEU B 46 -5.353 5.991 -4.582 1.00 70.24 C ATOM 2198 O LEU B 46 -6.407 5.674 -4.016 1.00 32.13 O ATOM 2199 CB LEU B 46 -4.058 4.012 -5.452 1.00 51.35 C ATOM 2200 CG LEU B 46 -3.937 2.876 -6.494 1.00 52.15 C ATOM 2201 CD1 LEU B 46 -3.150 3.283 -7.711 1.00 24.50 C ATOM 2202 CD2 LEU B 46 -3.361 1.629 -5.863 1.00 43.34 C ATOM 0 H LEU B 46 -3.310 5.927 -7.025 1.00 73.33 H new ATOM 0 HA LEU B 46 -5.800 4.870 -6.318 1.00 15.44 H new ATOM 0 HB2 LEU B 46 -3.051 4.356 -5.214 1.00 51.35 H new ATOM 0 HB3 LEU B 46 -4.474 3.586 -4.539 1.00 51.35 H new ATOM 0 HG LEU B 46 -4.947 2.656 -6.840 1.00 52.15 H new ATOM 0 HD11 LEU B 46 -3.098 2.446 -8.407 1.00 24.50 H new ATOM 0 HD12 LEU B 46 -3.640 4.128 -8.195 1.00 24.50 H new ATOM 0 HD13 LEU B 46 -2.142 3.570 -7.413 1.00 24.50 H new ATOM 0 HD21 LEU B 46 -3.285 0.843 -6.614 1.00 43.34 H new ATOM 0 HD22 LEU B 46 -2.370 1.847 -5.464 1.00 43.34 H new ATOM 0 HD23 LEU B 46 -4.012 1.296 -5.055 1.00 43.34 H new ATOM 2214 N LEU B 47 -4.600 6.982 -4.167 1.00 4.41 N ATOM 2215 CA LEU B 47 -4.960 7.700 -2.967 1.00 51.42 C ATOM 2216 C LEU B 47 -6.046 8.742 -3.206 1.00 13.43 C ATOM 2217 O LEU B 47 -6.882 8.964 -2.339 1.00 33.15 O ATOM 2218 CB LEU B 47 -3.738 8.298 -2.261 1.00 75.31 C ATOM 2219 CG LEU B 47 -2.693 7.281 -1.756 1.00 11.21 C ATOM 2220 CD1 LEU B 47 -1.556 7.984 -1.053 1.00 3.50 C ATOM 2221 CD2 LEU B 47 -3.327 6.258 -0.825 1.00 63.53 C ATOM 0 H LEU B 47 -3.751 7.305 -4.631 1.00 4.41 H new ATOM 0 HA LEU B 47 -5.388 6.960 -2.291 1.00 51.42 H new ATOM 0 HB2 LEU B 47 -3.246 8.987 -2.948 1.00 75.31 H new ATOM 0 HB3 LEU B 47 -4.084 8.887 -1.412 1.00 75.31 H new ATOM 0 HG LEU B 47 -2.297 6.757 -2.626 1.00 11.21 H new ATOM 0 HD11 LEU B 47 -0.832 7.247 -0.706 1.00 3.50 H new ATOM 0 HD12 LEU B 47 -1.070 8.672 -1.745 1.00 3.50 H new ATOM 0 HD13 LEU B 47 -1.944 8.541 -0.200 1.00 3.50 H new ATOM 0 HD21 LEU B 47 -2.567 5.555 -0.485 1.00 63.53 H new ATOM 0 HD22 LEU B 47 -3.760 6.768 0.036 1.00 63.53 H new ATOM 0 HD23 LEU B 47 -4.109 5.717 -1.357 1.00 63.53 H new ATOM 2233 N SER B 48 -6.083 9.347 -4.377 1.00 20.42 N ATOM 2234 CA SER B 48 -7.087 10.365 -4.621 1.00 11.31 C ATOM 2235 C SER B 48 -8.343 9.774 -5.291 1.00 55.13 C ATOM 2236 O SER B 48 -9.454 10.285 -5.107 1.00 24.30 O ATOM 2237 CB SER B 48 -6.495 11.485 -5.479 1.00 61.54 C ATOM 2238 OG SER B 48 -7.391 12.579 -5.621 1.00 61.32 O ATOM 0 H SER B 48 -5.450 9.160 -5.154 1.00 20.42 H new ATOM 0 HA SER B 48 -7.394 10.776 -3.659 1.00 11.31 H new ATOM 0 HB2 SER B 48 -5.566 11.834 -5.028 1.00 61.54 H new ATOM 0 HB3 SER B 48 -6.244 11.092 -6.464 1.00 61.54 H new ATOM 0 HG SER B 48 -6.975 13.273 -6.174 1.00 61.32 H new ATOM 2244 N GLY B 49 -8.184 8.673 -6.008 1.00 63.31 N ATOM 2245 CA GLY B 49 -9.304 8.089 -6.702 1.00 55.02 C ATOM 2246 C GLY B 49 -9.668 8.848 -7.948 1.00 63.24 C ATOM 2247 O GLY B 49 -10.809 8.790 -8.403 1.00 32.01 O ATOM 0 H GLY B 49 -7.300 8.176 -6.120 1.00 63.31 H new ATOM 0 HA2 GLY B 49 -9.067 7.058 -6.965 1.00 55.02 H new ATOM 0 HA3 GLY B 49 -10.165 8.058 -6.034 1.00 55.02 H new ATOM 2251 N ASP B 50 -8.714 9.546 -8.512 1.00 30.03 N ATOM 2252 CA ASP B 50 -8.986 10.362 -9.673 1.00 61.30 C ATOM 2253 C ASP B 50 -8.192 9.831 -10.868 1.00 31.42 C ATOM 2254 O ASP B 50 -6.959 9.837 -10.851 1.00 3.14 O ATOM 2255 CB ASP B 50 -8.604 11.807 -9.394 1.00 22.52 C ATOM 2256 CG ASP B 50 -9.158 12.757 -10.418 1.00 53.10 C ATOM 2257 OD1 ASP B 50 -8.670 12.780 -11.562 1.00 41.20 O ATOM 2258 OD2 ASP B 50 -10.083 13.524 -10.072 1.00 4.30 O ATOM 0 H ASP B 50 -7.747 9.567 -8.190 1.00 30.03 H new ATOM 0 HA ASP B 50 -10.051 10.319 -9.902 1.00 61.30 H new ATOM 0 HB2 ASP B 50 -8.967 12.091 -8.406 1.00 22.52 H new ATOM 0 HB3 ASP B 50 -7.518 11.894 -9.372 1.00 22.52 H new ATOM 2263 N PRO B 51 -8.882 9.340 -11.910 1.00 14.55 N ATOM 2264 CA PRO B 51 -8.242 8.728 -13.092 1.00 4.45 C ATOM 2265 C PRO B 51 -7.276 9.650 -13.863 1.00 41.54 C ATOM 2266 O PRO B 51 -6.361 9.163 -14.531 1.00 21.11 O ATOM 2267 CB PRO B 51 -9.418 8.308 -13.980 1.00 23.34 C ATOM 2268 CG PRO B 51 -10.603 8.282 -13.074 1.00 3.41 C ATOM 2269 CD PRO B 51 -10.353 9.325 -12.026 1.00 14.22 C ATOM 0 HA PRO B 51 -7.601 7.904 -12.780 1.00 4.45 H new ATOM 0 HB2 PRO B 51 -9.564 9.012 -14.799 1.00 23.34 H new ATOM 0 HB3 PRO B 51 -9.243 7.330 -14.428 1.00 23.34 H new ATOM 0 HG2 PRO B 51 -11.519 8.496 -13.625 1.00 3.41 H new ATOM 0 HG3 PRO B 51 -10.726 7.298 -12.622 1.00 3.41 H new ATOM 0 HD2 PRO B 51 -10.743 10.298 -12.325 1.00 14.22 H new ATOM 0 HD3 PRO B 51 -10.829 9.067 -11.080 1.00 14.22 H new ATOM 2277 N ALA B 52 -7.465 10.969 -13.744 1.00 2.42 N ATOM 2278 CA ALA B 52 -6.685 11.968 -14.507 1.00 31.14 C ATOM 2279 C ALA B 52 -5.182 11.941 -14.215 1.00 54.43 C ATOM 2280 O ALA B 52 -4.400 12.586 -14.921 1.00 72.55 O ATOM 2281 CB ALA B 52 -7.237 13.365 -14.313 1.00 74.23 C ATOM 0 H ALA B 52 -8.159 11.380 -13.120 1.00 2.42 H new ATOM 0 HA ALA B 52 -6.797 11.681 -15.552 1.00 31.14 H new ATOM 0 HB1 ALA B 52 -6.641 14.075 -14.887 1.00 74.23 H new ATOM 0 HB2 ALA B 52 -8.271 13.398 -14.656 1.00 74.23 H new ATOM 0 HB3 ALA B 52 -7.197 13.629 -13.256 1.00 74.23 H new ATOM 2287 N TYR B 53 -4.780 11.231 -13.179 1.00 62.02 N ATOM 2288 CA TYR B 53 -3.377 11.138 -12.816 1.00 63.43 C ATOM 2289 C TYR B 53 -2.509 10.409 -13.844 1.00 2.22 C ATOM 2290 O TYR B 53 -1.321 10.701 -13.956 1.00 23.34 O ATOM 2291 CB TYR B 53 -3.196 10.531 -11.434 1.00 32.14 C ATOM 2292 CG TYR B 53 -3.495 11.511 -10.348 1.00 71.43 C ATOM 2293 CD1 TYR B 53 -2.533 12.416 -9.969 1.00 72.33 C ATOM 2294 CD2 TYR B 53 -4.719 11.550 -9.709 1.00 23.24 C ATOM 2295 CE1 TYR B 53 -2.767 13.332 -8.991 1.00 60.01 C ATOM 2296 CE2 TYR B 53 -4.968 12.473 -8.716 1.00 22.22 C ATOM 2297 CZ TYR B 53 -3.983 13.363 -8.361 1.00 1.40 C ATOM 2298 OH TYR B 53 -4.217 14.292 -7.373 1.00 11.24 O ATOM 0 H TYR B 53 -5.408 10.707 -12.570 1.00 62.02 H new ATOM 0 HA TYR B 53 -3.022 12.168 -12.800 1.00 63.43 H new ATOM 0 HB2 TYR B 53 -3.849 9.665 -11.330 1.00 32.14 H new ATOM 0 HB3 TYR B 53 -2.172 10.173 -11.327 1.00 32.14 H new ATOM 0 HD1 TYR B 53 -1.570 12.400 -10.458 1.00 72.33 H new ATOM 0 HD2 TYR B 53 -5.490 10.849 -9.991 1.00 23.24 H new ATOM 0 HE1 TYR B 53 -1.995 14.034 -8.712 1.00 60.01 H new ATOM 0 HE2 TYR B 53 -5.928 12.496 -8.222 1.00 22.22 H new ATOM 0 HH TYR B 53 -5.128 14.181 -7.029 1.00 11.24 H new ATOM 2308 N ILE B 54 -3.072 9.490 -14.595 1.00 63.30 N ATOM 2309 CA ILE B 54 -2.267 8.761 -15.573 1.00 32.54 C ATOM 2310 C ILE B 54 -2.459 9.362 -16.970 1.00 1.31 C ATOM 2311 O ILE B 54 -3.586 9.437 -17.466 1.00 50.43 O ATOM 2312 CB ILE B 54 -2.584 7.232 -15.588 1.00 55.11 C ATOM 2313 CG1 ILE B 54 -2.374 6.627 -14.188 1.00 14.53 C ATOM 2314 CG2 ILE B 54 -1.713 6.500 -16.616 1.00 41.22 C ATOM 2315 CD1 ILE B 54 -0.974 6.805 -13.625 1.00 75.41 C ATOM 0 H ILE B 54 -4.057 9.228 -14.558 1.00 63.30 H new ATOM 0 HA ILE B 54 -1.224 8.866 -15.274 1.00 32.54 H new ATOM 0 HB ILE B 54 -3.628 7.107 -15.874 1.00 55.11 H new ATOM 0 HG12 ILE B 54 -3.088 7.080 -13.500 1.00 14.53 H new ATOM 0 HG13 ILE B 54 -2.602 5.562 -14.229 1.00 14.53 H new ATOM 0 HG21 ILE B 54 -1.954 5.437 -16.606 1.00 41.22 H new ATOM 0 HG22 ILE B 54 -1.904 6.906 -17.609 1.00 41.22 H new ATOM 0 HG23 ILE B 54 -0.661 6.636 -16.364 1.00 41.22 H new ATOM 0 HD11 ILE B 54 -0.918 6.348 -12.637 1.00 75.41 H new ATOM 0 HD12 ILE B 54 -0.252 6.327 -14.287 1.00 75.41 H new ATOM 0 HD13 ILE B 54 -0.746 7.868 -13.547 1.00 75.41 H new ATOM 2327 N PRO B 55 -1.359 9.813 -17.611 1.00 51.02 N ATOM 2328 CA PRO B 55 -1.414 10.442 -18.932 1.00 34.24 C ATOM 2329 C PRO B 55 -1.761 9.448 -20.045 1.00 2.04 C ATOM 2330 O PRO B 55 -1.411 8.252 -19.983 1.00 11.41 O ATOM 2331 CB PRO B 55 0.000 10.999 -19.131 1.00 71.34 C ATOM 2332 CG PRO B 55 0.863 10.144 -18.277 1.00 61.13 C ATOM 2333 CD PRO B 55 0.021 9.744 -17.095 1.00 43.21 C ATOM 0 HA PRO B 55 -2.194 11.202 -18.981 1.00 34.24 H new ATOM 0 HB2 PRO B 55 0.303 10.948 -20.177 1.00 71.34 H new ATOM 0 HB3 PRO B 55 0.059 12.046 -18.833 1.00 71.34 H new ATOM 0 HG2 PRO B 55 1.206 9.267 -18.825 1.00 61.13 H new ATOM 0 HG3 PRO B 55 1.752 10.687 -17.956 1.00 61.13 H new ATOM 0 HD2 PRO B 55 0.269 8.741 -16.747 1.00 43.21 H new ATOM 0 HD3 PRO B 55 0.168 10.419 -16.252 1.00 43.21 H new ATOM 2341 N ARG B 56 -2.427 9.936 -21.062 1.00 42.24 N ATOM 2342 CA ARG B 56 -2.857 9.101 -22.151 1.00 71.01 C ATOM 2343 C ARG B 56 -1.777 8.865 -23.204 1.00 71.42 C ATOM 2344 O ARG B 56 -1.754 9.486 -24.265 1.00 52.24 O ATOM 2345 CB ARG B 56 -4.193 9.563 -22.758 1.00 41.21 C ATOM 2346 CG ARG B 56 -4.208 11.007 -23.241 1.00 10.11 C ATOM 2347 CD ARG B 56 -5.567 11.377 -23.777 1.00 1.41 C ATOM 2348 NE ARG B 56 -5.642 12.773 -24.214 1.00 22.14 N ATOM 2349 CZ ARG B 56 -6.671 13.290 -24.894 1.00 73.44 C ATOM 2350 NH1 ARG B 56 -7.644 12.494 -25.333 1.00 42.31 N ATOM 2351 NH2 ARG B 56 -6.709 14.590 -25.172 1.00 72.23 N ATOM 0 H ARG B 56 -2.684 10.918 -21.156 1.00 42.24 H new ATOM 0 HA ARG B 56 -3.043 8.122 -21.710 1.00 71.01 H new ATOM 0 HB2 ARG B 56 -4.440 8.911 -23.596 1.00 41.21 H new ATOM 0 HB3 ARG B 56 -4.978 9.435 -22.013 1.00 41.21 H new ATOM 0 HG2 ARG B 56 -3.942 11.673 -22.420 1.00 10.11 H new ATOM 0 HG3 ARG B 56 -3.456 11.143 -24.018 1.00 10.11 H new ATOM 0 HD2 ARG B 56 -5.812 10.725 -24.615 1.00 1.41 H new ATOM 0 HD3 ARG B 56 -6.317 11.201 -23.006 1.00 1.41 H new ATOM 0 HE ARG B 56 -4.861 13.389 -23.986 1.00 22.14 H new ATOM 0 HH11 ARG B 56 -7.604 11.491 -25.150 1.00 42.31 H new ATOM 0 HH12 ARG B 56 -8.429 12.887 -25.852 1.00 42.31 H new ATOM 0 HH21 ARG B 56 -5.950 15.199 -24.866 1.00 72.23 H new ATOM 0 HH22 ARG B 56 -7.497 14.978 -25.691 1.00 72.23 H new ATOM 2365 N TYR B 57 -0.845 8.019 -22.856 1.00 4.41 N ATOM 2366 CA TYR B 57 0.176 7.579 -23.782 1.00 51.23 C ATOM 2367 C TYR B 57 -0.278 6.283 -24.427 1.00 51.44 C ATOM 2368 O TYR B 57 -0.081 6.061 -25.610 1.00 44.03 O ATOM 2369 CB TYR B 57 1.525 7.401 -23.055 1.00 34.31 C ATOM 2370 CG TYR B 57 2.629 6.800 -23.910 1.00 13.01 C ATOM 2371 CD1 TYR B 57 3.211 7.513 -24.949 1.00 41.43 C ATOM 2372 CD2 TYR B 57 3.077 5.508 -23.676 1.00 44.22 C ATOM 2373 CE1 TYR B 57 4.210 6.954 -25.726 1.00 51.24 C ATOM 2374 CE2 TYR B 57 4.067 4.942 -24.445 1.00 74.30 C ATOM 2375 CZ TYR B 57 4.633 5.667 -25.467 1.00 20.22 C ATOM 2376 OH TYR B 57 5.617 5.096 -26.237 1.00 1.30 O ATOM 0 H TYR B 57 -0.768 7.613 -21.924 1.00 4.41 H new ATOM 0 HA TYR B 57 0.323 8.331 -24.557 1.00 51.23 H new ATOM 0 HB2 TYR B 57 1.856 8.372 -22.687 1.00 34.31 H new ATOM 0 HB3 TYR B 57 1.372 6.765 -22.183 1.00 34.31 H new ATOM 0 HD1 TYR B 57 2.879 8.520 -25.154 1.00 41.43 H new ATOM 0 HD2 TYR B 57 2.639 4.934 -22.873 1.00 44.22 H new ATOM 0 HE1 TYR B 57 4.655 7.521 -26.530 1.00 51.24 H new ATOM 0 HE2 TYR B 57 4.398 3.933 -24.247 1.00 74.30 H new ATOM 0 HH TYR B 57 5.795 4.187 -25.918 1.00 1.30 H new ATOM 2386 N GLN B 58 -0.924 5.461 -23.629 1.00 73.53 N ATOM 2387 CA GLN B 58 -1.456 4.173 -24.039 1.00 11.11 C ATOM 2388 C GLN B 58 -2.762 3.937 -23.312 1.00 11.04 C ATOM 2389 O GLN B 58 -3.163 4.748 -22.463 1.00 1.42 O ATOM 2390 CB GLN B 58 -0.468 3.029 -23.701 1.00 1.13 C ATOM 2391 CG GLN B 58 0.798 2.996 -24.548 1.00 54.35 C ATOM 2392 CD GLN B 58 0.516 2.626 -25.992 1.00 14.34 C ATOM 2393 OE1 GLN B 58 0.601 1.356 -26.294 1.00 61.41 O flip ATOM 2394 NE2 GLN B 58 0.246 3.478 -26.831 1.00 42.11 N flip ATOM 0 H GLN B 58 -1.100 5.674 -22.647 1.00 73.53 H new ATOM 0 HA GLN B 58 -1.611 4.182 -25.118 1.00 11.11 H new ATOM 0 HB2 GLN B 58 -0.183 3.114 -22.652 1.00 1.13 H new ATOM 0 HB3 GLN B 58 -0.987 2.077 -23.814 1.00 1.13 H new ATOM 0 HG2 GLN B 58 1.281 3.972 -24.513 1.00 54.35 H new ATOM 0 HG3 GLN B 58 1.499 2.278 -24.122 1.00 54.35 H new ATOM 0 HE21 GLN B 58 0.188 4.460 -26.560 1.00 42.11 H new ATOM 0 HE22 GLN B 58 0.079 3.205 -27.800 1.00 42.11 H new ATOM 2403 N ASP B 59 -3.396 2.818 -23.608 1.00 33.20 N ATOM 2404 CA ASP B 59 -4.657 2.403 -22.976 1.00 33.13 C ATOM 2405 C ASP B 59 -4.490 2.125 -21.487 1.00 44.51 C ATOM 2406 O ASP B 59 -5.468 1.980 -20.770 1.00 74.35 O ATOM 2407 CB ASP B 59 -5.305 1.217 -23.707 1.00 4.12 C ATOM 2408 CG ASP B 59 -4.404 0.016 -23.827 1.00 72.10 C ATOM 2409 OD1 ASP B 59 -3.515 0.029 -24.711 1.00 21.13 O ATOM 2410 OD2 ASP B 59 -4.579 -0.954 -23.079 1.00 10.31 O ATOM 0 H ASP B 59 -3.053 2.155 -24.303 1.00 33.20 H new ATOM 0 HA ASP B 59 -5.342 3.246 -23.066 1.00 33.13 H new ATOM 0 HB2 ASP B 59 -6.213 0.928 -23.178 1.00 4.12 H new ATOM 0 HB3 ASP B 59 -5.605 1.536 -24.705 1.00 4.12 H new ATOM 2415 N ALA B 60 -3.233 2.060 -21.039 1.00 4.54 N ATOM 2416 CA ALA B 60 -2.873 1.845 -19.628 1.00 22.44 C ATOM 2417 C ALA B 60 -3.628 2.795 -18.682 1.00 50.45 C ATOM 2418 O ALA B 60 -3.973 2.415 -17.566 1.00 72.35 O ATOM 2419 CB ALA B 60 -1.376 2.017 -19.451 1.00 30.42 C ATOM 0 H ALA B 60 -2.423 2.156 -21.652 1.00 4.54 H new ATOM 0 HA ALA B 60 -3.165 0.828 -19.365 1.00 22.44 H new ATOM 0 HB1 ALA B 60 -1.113 1.857 -18.405 1.00 30.42 H new ATOM 0 HB2 ALA B 60 -0.850 1.292 -20.073 1.00 30.42 H new ATOM 0 HB3 ALA B 60 -1.088 3.026 -19.748 1.00 30.42 H new ATOM 2425 N ARG B 61 -3.894 4.016 -19.145 1.00 73.30 N ATOM 2426 CA ARG B 61 -4.661 4.982 -18.363 1.00 43.32 C ATOM 2427 C ARG B 61 -6.081 4.483 -18.079 1.00 14.13 C ATOM 2428 O ARG B 61 -6.648 4.748 -17.025 1.00 74.32 O ATOM 2429 CB ARG B 61 -4.605 6.415 -18.994 1.00 42.15 C ATOM 2430 CG ARG B 61 -4.936 6.528 -20.498 1.00 42.10 C ATOM 2431 CD ARG B 61 -6.399 6.319 -20.841 1.00 35.21 C ATOM 2432 NE ARG B 61 -6.611 6.274 -22.299 1.00 10.13 N ATOM 2433 CZ ARG B 61 -7.676 6.765 -22.945 1.00 54.23 C ATOM 2434 NH1 ARG B 61 -8.576 7.504 -22.304 1.00 23.23 N ATOM 2435 NH2 ARG B 61 -7.804 6.551 -24.247 1.00 54.44 N ATOM 0 H ARG B 61 -3.590 4.358 -20.056 1.00 73.30 H new ATOM 0 HA ARG B 61 -4.186 5.076 -17.386 1.00 43.32 H new ATOM 0 HB2 ARG B 61 -5.296 7.055 -18.445 1.00 42.15 H new ATOM 0 HB3 ARG B 61 -3.604 6.817 -18.835 1.00 42.15 H new ATOM 0 HG2 ARG B 61 -4.631 7.513 -20.850 1.00 42.10 H new ATOM 0 HG3 ARG B 61 -4.340 5.796 -21.044 1.00 42.10 H new ATOM 0 HD2 ARG B 61 -6.750 5.390 -20.392 1.00 35.21 H new ATOM 0 HD3 ARG B 61 -6.993 7.125 -20.411 1.00 35.21 H new ATOM 0 HE ARG B 61 -5.885 5.832 -22.863 1.00 10.13 H new ATOM 0 HH11 ARG B 61 -8.459 7.702 -21.310 1.00 23.23 H new ATOM 0 HH12 ARG B 61 -9.384 7.873 -22.806 1.00 23.23 H new ATOM 0 HH21 ARG B 61 -7.095 6.016 -24.748 1.00 54.44 H new ATOM 0 HH22 ARG B 61 -8.612 6.921 -24.748 1.00 54.44 H new ATOM 2449 N ASN B 62 -6.641 3.768 -19.028 1.00 42.11 N ATOM 2450 CA ASN B 62 -7.942 3.170 -18.858 1.00 21.44 C ATOM 2451 C ASN B 62 -7.821 1.902 -18.004 1.00 33.33 C ATOM 2452 O ASN B 62 -8.652 1.630 -17.153 1.00 53.21 O ATOM 2453 CB ASN B 62 -8.585 2.844 -20.203 1.00 3.32 C ATOM 2454 CG ASN B 62 -10.012 2.355 -20.050 1.00 31.14 C ATOM 2455 OD1 ASN B 62 -10.733 2.766 -19.123 1.00 15.05 O ATOM 2456 ND2 ASN B 62 -10.432 1.491 -20.934 1.00 53.43 N ATOM 0 H ASN B 62 -6.209 3.586 -19.934 1.00 42.11 H new ATOM 0 HA ASN B 62 -8.585 3.889 -18.350 1.00 21.44 H new ATOM 0 HB2 ASN B 62 -8.572 3.732 -20.835 1.00 3.32 H new ATOM 0 HB3 ASN B 62 -7.994 2.082 -20.712 1.00 3.32 H new ATOM 0 HD21 ASN B 62 -11.383 1.127 -20.880 1.00 53.43 H new ATOM 0 HD22 ASN B 62 -9.809 1.180 -21.679 1.00 53.43 H new ATOM 2463 N LEU B 63 -6.751 1.150 -18.242 1.00 20.54 N ATOM 2464 CA LEU B 63 -6.493 -0.117 -17.543 1.00 72.42 C ATOM 2465 C LEU B 63 -6.379 0.072 -16.038 1.00 64.44 C ATOM 2466 O LEU B 63 -6.908 -0.727 -15.260 1.00 44.13 O ATOM 2467 CB LEU B 63 -5.201 -0.777 -18.050 1.00 25.31 C ATOM 2468 CG LEU B 63 -5.132 -1.133 -19.532 1.00 60.43 C ATOM 2469 CD1 LEU B 63 -3.785 -1.772 -19.848 1.00 34.41 C ATOM 2470 CD2 LEU B 63 -6.249 -2.083 -19.894 1.00 12.32 C ATOM 0 H LEU B 63 -6.034 1.397 -18.924 1.00 20.54 H new ATOM 0 HA LEU B 63 -7.347 -0.760 -17.755 1.00 72.42 H new ATOM 0 HB2 LEU B 63 -4.370 -0.109 -17.825 1.00 25.31 H new ATOM 0 HB3 LEU B 63 -5.041 -1.690 -17.476 1.00 25.31 H new ATOM 0 HG LEU B 63 -5.243 -0.221 -20.119 1.00 60.43 H new ATOM 0 HD11 LEU B 63 -3.741 -2.024 -20.908 1.00 34.41 H new ATOM 0 HD12 LEU B 63 -2.985 -1.072 -19.608 1.00 34.41 H new ATOM 0 HD13 LEU B 63 -3.664 -2.678 -19.254 1.00 34.41 H new ATOM 0 HD21 LEU B 63 -6.188 -2.329 -20.954 1.00 12.32 H new ATOM 0 HD22 LEU B 63 -6.157 -2.995 -19.304 1.00 12.32 H new ATOM 0 HD23 LEU B 63 -7.209 -1.612 -19.685 1.00 12.32 H new ATOM 2482 N ILE B 64 -5.703 1.123 -15.627 1.00 43.50 N ATOM 2483 CA ILE B 64 -5.472 1.359 -14.212 1.00 64.11 C ATOM 2484 C ILE B 64 -6.790 1.697 -13.490 1.00 32.33 C ATOM 2485 O ILE B 64 -6.994 1.317 -12.344 1.00 3.31 O ATOM 2486 CB ILE B 64 -4.407 2.469 -13.979 1.00 11.24 C ATOM 2487 CG1 ILE B 64 -4.019 2.542 -12.490 1.00 41.33 C ATOM 2488 CG2 ILE B 64 -4.925 3.823 -14.473 1.00 4.14 C ATOM 2489 CD1 ILE B 64 -2.907 3.527 -12.181 1.00 53.33 C ATOM 0 H ILE B 64 -5.304 1.827 -16.247 1.00 43.50 H new ATOM 0 HA ILE B 64 -5.077 0.437 -13.787 1.00 64.11 H new ATOM 0 HB ILE B 64 -3.514 2.217 -14.551 1.00 11.24 H new ATOM 0 HG12 ILE B 64 -4.901 2.814 -11.910 1.00 41.33 H new ATOM 0 HG13 ILE B 64 -3.712 1.550 -12.158 1.00 41.33 H new ATOM 0 HG21 ILE B 64 -4.167 4.587 -14.302 1.00 4.14 H new ATOM 0 HG22 ILE B 64 -5.144 3.762 -15.539 1.00 4.14 H new ATOM 0 HG23 ILE B 64 -5.833 4.085 -13.930 1.00 4.14 H new ATOM 0 HD11 ILE B 64 -2.697 3.515 -11.111 1.00 53.33 H new ATOM 0 HD12 ILE B 64 -2.009 3.246 -12.730 1.00 53.33 H new ATOM 0 HD13 ILE B 64 -3.215 4.529 -12.479 1.00 53.33 H new ATOM 2501 N ARG B 65 -7.702 2.356 -14.204 1.00 42.35 N ATOM 2502 CA ARG B 65 -8.979 2.753 -13.636 1.00 41.42 C ATOM 2503 C ARG B 65 -10.022 1.654 -13.858 1.00 13.43 C ATOM 2504 O ARG B 65 -11.209 1.820 -13.574 1.00 61.21 O ATOM 2505 CB ARG B 65 -9.451 4.092 -14.230 1.00 4.35 C ATOM 2506 CG ARG B 65 -9.728 4.050 -15.714 1.00 24.23 C ATOM 2507 CD ARG B 65 -10.175 5.390 -16.236 1.00 22.33 C ATOM 2508 NE ARG B 65 -10.565 5.331 -17.649 1.00 65.43 N ATOM 2509 CZ ARG B 65 -10.635 6.388 -18.462 1.00 72.44 C ATOM 2510 NH1 ARG B 65 -10.265 7.594 -18.029 1.00 43.20 N ATOM 2511 NH2 ARG B 65 -11.074 6.241 -19.709 1.00 21.03 N ATOM 0 H ARG B 65 -7.574 2.625 -15.180 1.00 42.35 H new ATOM 0 HA ARG B 65 -8.852 2.894 -12.563 1.00 41.42 H new ATOM 0 HB2 ARG B 65 -10.357 4.407 -13.712 1.00 4.35 H new ATOM 0 HB3 ARG B 65 -8.692 4.850 -14.035 1.00 4.35 H new ATOM 0 HG2 ARG B 65 -8.829 3.735 -16.243 1.00 24.23 H new ATOM 0 HG3 ARG B 65 -10.496 3.305 -15.920 1.00 24.23 H new ATOM 0 HD2 ARG B 65 -11.017 5.747 -15.643 1.00 22.33 H new ATOM 0 HD3 ARG B 65 -9.369 6.113 -16.113 1.00 22.33 H new ATOM 0 HE ARG B 65 -10.799 4.418 -18.038 1.00 65.43 H new ATOM 0 HH11 ARG B 65 -9.927 7.711 -17.074 1.00 43.20 H new ATOM 0 HH12 ARG B 65 -10.320 8.399 -18.653 1.00 43.20 H new ATOM 0 HH21 ARG B 65 -11.357 5.320 -20.045 1.00 21.03 H new ATOM 0 HH22 ARG B 65 -11.127 7.049 -20.329 1.00 21.03 H new ATOM 2525 N ARG B 66 -9.556 0.534 -14.380 1.00 53.45 N ATOM 2526 CA ARG B 66 -10.379 -0.644 -14.597 1.00 54.04 C ATOM 2527 C ARG B 66 -10.325 -1.504 -13.332 1.00 62.14 C ATOM 2528 O ARG B 66 -11.036 -2.501 -13.196 1.00 65.34 O ATOM 2529 CB ARG B 66 -9.833 -1.436 -15.814 1.00 34.15 C ATOM 2530 CG ARG B 66 -10.607 -2.696 -16.202 1.00 44.53 C ATOM 2531 CD ARG B 66 -12.021 -2.380 -16.645 1.00 20.33 C ATOM 2532 NE ARG B 66 -12.753 -3.592 -17.031 1.00 31.43 N ATOM 2533 CZ ARG B 66 -14.017 -3.622 -17.475 1.00 11.34 C ATOM 2534 NH1 ARG B 66 -14.724 -2.498 -17.585 1.00 63.23 N ATOM 2535 NH2 ARG B 66 -14.573 -4.784 -17.804 1.00 31.31 N ATOM 0 H ARG B 66 -8.585 0.414 -14.669 1.00 53.45 H new ATOM 0 HA ARG B 66 -11.411 -0.361 -14.804 1.00 54.04 H new ATOM 0 HB2 ARG B 66 -9.811 -0.768 -16.675 1.00 34.15 H new ATOM 0 HB3 ARG B 66 -8.801 -1.719 -15.604 1.00 34.15 H new ATOM 0 HG2 ARG B 66 -10.082 -3.211 -17.006 1.00 44.53 H new ATOM 0 HG3 ARG B 66 -10.637 -3.379 -15.353 1.00 44.53 H new ATOM 0 HD2 ARG B 66 -12.551 -1.876 -15.837 1.00 20.33 H new ATOM 0 HD3 ARG B 66 -11.992 -1.688 -17.487 1.00 20.33 H new ATOM 0 HE ARG B 66 -12.261 -4.482 -16.955 1.00 31.43 H new ATOM 0 HH11 ARG B 66 -14.304 -1.604 -17.330 1.00 63.23 H new ATOM 0 HH12 ARG B 66 -15.685 -2.531 -17.924 1.00 63.23 H new ATOM 0 HH21 ARG B 66 -14.038 -5.648 -17.718 1.00 31.31 H new ATOM 0 HH22 ARG B 66 -15.535 -4.811 -18.142 1.00 31.31 H new ATOM 2549 N HIS B 67 -9.479 -1.096 -12.407 1.00 2.22 N ATOM 2550 CA HIS B 67 -9.287 -1.802 -11.166 1.00 72.24 C ATOM 2551 C HIS B 67 -9.481 -0.853 -10.016 1.00 3.24 C ATOM 2552 O HIS B 67 -9.144 0.327 -10.123 1.00 22.52 O ATOM 2553 CB HIS B 67 -7.886 -2.412 -11.082 1.00 62.10 C ATOM 2554 CG HIS B 67 -7.566 -3.403 -12.140 1.00 31.14 C ATOM 2555 ND1 HIS B 67 -8.002 -4.697 -12.109 1.00 3.24 N ATOM 2556 CD2 HIS B 67 -6.831 -3.282 -13.265 1.00 45.54 C ATOM 2557 CE1 HIS B 67 -7.547 -5.338 -13.164 1.00 2.42 C ATOM 2558 NE2 HIS B 67 -6.833 -4.498 -13.880 1.00 34.02 N ATOM 0 H HIS B 67 -8.904 -0.259 -12.501 1.00 2.22 H new ATOM 0 HA HIS B 67 -10.017 -2.610 -11.119 1.00 72.24 H new ATOM 0 HB2 HIS B 67 -7.153 -1.607 -11.126 1.00 62.10 H new ATOM 0 HB3 HIS B 67 -7.773 -2.892 -10.110 1.00 62.10 H new ATOM 0 HD2 HIS B 67 -6.334 -2.389 -13.613 1.00 45.54 H new ATOM 0 HE1 HIS B 67 -7.729 -6.376 -13.401 1.00 2.42 H new ATOM 0 HE2 HIS B 67 -6.357 -4.720 -14.754 1.00 34.02 H new ATOM 2567 N GLU B 68 -10.016 -1.349 -8.932 1.00 44.01 N ATOM 2568 CA GLU B 68 -10.231 -0.526 -7.781 1.00 54.53 C ATOM 2569 C GLU B 68 -9.015 -0.407 -6.905 1.00 43.41 C ATOM 2570 O GLU B 68 -8.325 -1.383 -6.595 1.00 45.43 O ATOM 2571 CB GLU B 68 -11.488 -0.886 -7.019 1.00 71.55 C ATOM 2572 CG GLU B 68 -12.743 -0.557 -7.804 1.00 23.42 C ATOM 2573 CD GLU B 68 -12.807 0.924 -8.160 1.00 51.22 C ATOM 2574 OE1 GLU B 68 -13.267 1.724 -7.340 1.00 55.11 O ATOM 2575 OE2 GLU B 68 -12.381 1.314 -9.271 1.00 34.12 O ATOM 0 H GLU B 68 -10.310 -2.320 -8.826 1.00 44.01 H new ATOM 0 HA GLU B 68 -10.407 0.478 -8.167 1.00 54.53 H new ATOM 0 HB2 GLU B 68 -11.477 -1.950 -6.783 1.00 71.55 H new ATOM 0 HB3 GLU B 68 -11.503 -0.349 -6.070 1.00 71.55 H new ATOM 0 HG2 GLU B 68 -12.770 -1.153 -8.716 1.00 23.42 H new ATOM 0 HG3 GLU B 68 -13.621 -0.830 -7.219 1.00 23.42 H new ATOM 2582 N ARG B 69 -8.795 0.804 -6.505 1.00 65.43 N ATOM 2583 CA ARG B 69 -7.612 1.261 -5.801 1.00 52.22 C ATOM 2584 C ARG B 69 -7.410 0.635 -4.422 1.00 11.51 C ATOM 2585 O ARG B 69 -6.317 0.702 -3.882 1.00 20.14 O ATOM 2586 CB ARG B 69 -7.689 2.776 -5.730 1.00 41.41 C ATOM 2587 CG ARG B 69 -7.716 3.386 -7.117 1.00 61.34 C ATOM 2588 CD ARG B 69 -8.365 4.755 -7.137 1.00 0.23 C ATOM 2589 NE ARG B 69 -9.759 4.682 -6.671 1.00 3.44 N ATOM 2590 CZ ARG B 69 -10.747 3.930 -7.232 1.00 2.32 C ATOM 2591 NH1 ARG B 69 -10.564 3.274 -8.401 1.00 32.22 N ATOM 2592 NH2 ARG B 69 -11.915 3.873 -6.642 1.00 24.33 N ATOM 0 H ARG B 69 -9.468 1.554 -6.664 1.00 65.43 H new ATOM 0 HA ARG B 69 -6.733 0.934 -6.357 1.00 52.22 H new ATOM 0 HB2 ARG B 69 -8.583 3.073 -5.181 1.00 41.41 H new ATOM 0 HB3 ARG B 69 -6.833 3.161 -5.176 1.00 41.41 H new ATOM 0 HG2 ARG B 69 -6.697 3.465 -7.495 1.00 61.34 H new ATOM 0 HG3 ARG B 69 -8.256 2.722 -7.792 1.00 61.34 H new ATOM 0 HD2 ARG B 69 -7.801 5.439 -6.503 1.00 0.23 H new ATOM 0 HD3 ARG B 69 -8.336 5.161 -8.148 1.00 0.23 H new ATOM 0 HE ARG B 69 -10.007 5.244 -5.857 1.00 3.44 H new ATOM 0 HH11 ARG B 69 -9.668 3.335 -8.885 1.00 32.22 H new ATOM 0 HH12 ARG B 69 -11.322 2.718 -8.798 1.00 32.22 H new ATOM 0 HH21 ARG B 69 -12.074 4.387 -5.776 1.00 24.33 H new ATOM 0 HH22 ARG B 69 -12.665 3.315 -7.049 1.00 24.33 H new ATOM 2606 N ASP B 70 -8.436 0.016 -3.866 1.00 10.11 N ATOM 2607 CA ASP B 70 -8.298 -0.598 -2.547 1.00 0.22 C ATOM 2608 C ASP B 70 -7.693 -1.976 -2.687 1.00 12.51 C ATOM 2609 O ASP B 70 -6.789 -2.348 -1.942 1.00 4.43 O ATOM 2610 CB ASP B 70 -9.643 -0.652 -1.777 1.00 51.45 C ATOM 2611 CG ASP B 70 -10.685 -1.565 -2.401 1.00 34.22 C ATOM 2612 OD1 ASP B 70 -11.163 -1.264 -3.512 1.00 50.52 O ATOM 2613 OD2 ASP B 70 -11.064 -2.570 -1.775 1.00 43.44 O ATOM 0 H ASP B 70 -9.358 -0.077 -4.292 1.00 10.11 H new ATOM 0 HA ASP B 70 -7.631 0.028 -1.954 1.00 0.22 H new ATOM 0 HB2 ASP B 70 -9.451 -0.984 -0.757 1.00 51.45 H new ATOM 0 HB3 ASP B 70 -10.052 0.356 -1.713 1.00 51.45 H new ATOM 2618 N GLU B 71 -8.150 -2.707 -3.687 1.00 62.30 N ATOM 2619 CA GLU B 71 -7.671 -4.047 -3.935 1.00 74.23 C ATOM 2620 C GLU B 71 -6.247 -4.003 -4.489 1.00 32.32 C ATOM 2621 O GLU B 71 -5.387 -4.801 -4.098 1.00 54.24 O ATOM 2622 CB GLU B 71 -8.615 -4.772 -4.894 1.00 3.53 C ATOM 2623 CG GLU B 71 -8.224 -6.207 -5.174 1.00 3.41 C ATOM 2624 CD GLU B 71 -8.193 -7.062 -3.925 1.00 24.43 C ATOM 2625 OE1 GLU B 71 -7.177 -7.065 -3.229 1.00 24.55 O ATOM 2626 OE2 GLU B 71 -9.190 -7.767 -3.643 1.00 3.23 O ATOM 0 H GLU B 71 -8.860 -2.387 -4.345 1.00 62.30 H new ATOM 0 HA GLU B 71 -7.651 -4.600 -2.996 1.00 74.23 H new ATOM 0 HB2 GLU B 71 -9.622 -4.755 -4.478 1.00 3.53 H new ATOM 0 HB3 GLU B 71 -8.650 -4.225 -5.836 1.00 3.53 H new ATOM 0 HG2 GLU B 71 -8.928 -6.638 -5.886 1.00 3.41 H new ATOM 0 HG3 GLU B 71 -7.242 -6.225 -5.646 1.00 3.41 H new ATOM 2633 N ILE B 72 -5.989 -3.042 -5.386 1.00 64.30 N ATOM 2634 CA ILE B 72 -4.651 -2.870 -5.942 1.00 51.00 C ATOM 2635 C ILE B 72 -3.676 -2.597 -4.803 1.00 31.44 C ATOM 2636 O ILE B 72 -2.591 -3.153 -4.756 1.00 72.31 O ATOM 2637 CB ILE B 72 -4.564 -1.669 -6.926 1.00 24.50 C ATOM 2638 CG1 ILE B 72 -5.583 -1.786 -8.057 1.00 72.30 C ATOM 2639 CG2 ILE B 72 -3.149 -1.560 -7.511 1.00 52.12 C ATOM 2640 CD1 ILE B 72 -5.583 -0.583 -8.987 1.00 22.23 C ATOM 0 H ILE B 72 -6.683 -2.382 -5.735 1.00 64.30 H new ATOM 0 HA ILE B 72 -4.409 -3.783 -6.485 1.00 51.00 H new ATOM 0 HB ILE B 72 -4.794 -0.767 -6.359 1.00 24.50 H new ATOM 0 HG12 ILE B 72 -5.373 -2.685 -8.636 1.00 72.30 H new ATOM 0 HG13 ILE B 72 -6.578 -1.908 -7.630 1.00 72.30 H new ATOM 0 HG21 ILE B 72 -3.103 -0.715 -8.198 1.00 52.12 H new ATOM 0 HG22 ILE B 72 -2.432 -1.411 -6.704 1.00 52.12 H new ATOM 0 HG23 ILE B 72 -2.905 -2.477 -8.047 1.00 52.12 H new ATOM 0 HD11 ILE B 72 -6.329 -0.728 -9.769 1.00 22.23 H new ATOM 0 HD12 ILE B 72 -5.822 0.316 -8.419 1.00 22.23 H new ATOM 0 HD13 ILE B 72 -4.598 -0.474 -9.441 1.00 22.23 H new ATOM 2652 N MET B 73 -4.112 -1.762 -3.870 1.00 34.21 N ATOM 2653 CA MET B 73 -3.288 -1.335 -2.757 1.00 1.43 C ATOM 2654 C MET B 73 -2.976 -2.536 -1.845 1.00 12.12 C ATOM 2655 O MET B 73 -1.830 -2.704 -1.401 1.00 43.33 O ATOM 2656 CB MET B 73 -3.994 -0.191 -2.009 1.00 53.15 C ATOM 2657 CG MET B 73 -3.144 0.606 -1.017 1.00 3.40 C ATOM 2658 SD MET B 73 -2.529 -0.347 0.368 1.00 2.42 S ATOM 2659 CE MET B 73 -1.702 0.918 1.285 1.00 5.15 C ATOM 0 H MET B 73 -5.051 -1.363 -3.867 1.00 34.21 H new ATOM 0 HA MET B 73 -2.333 -0.952 -3.116 1.00 1.43 H new ATOM 0 HB2 MET B 73 -4.395 0.503 -2.748 1.00 53.15 H new ATOM 0 HB3 MET B 73 -4.844 -0.610 -1.470 1.00 53.15 H new ATOM 0 HG2 MET B 73 -2.297 1.038 -1.549 1.00 3.40 H new ATOM 0 HG3 MET B 73 -3.737 1.437 -0.635 1.00 3.40 H new ATOM 0 HE1 MET B 73 -1.323 0.502 2.218 1.00 5.15 H new ATOM 0 HE2 MET B 73 -0.871 1.309 0.698 1.00 5.15 H new ATOM 0 HE3 MET B 73 -2.402 1.724 1.505 1.00 5.15 H new ATOM 2669 N GLU B 74 -3.984 -3.390 -1.589 1.00 73.25 N ATOM 2670 CA GLU B 74 -3.759 -4.617 -0.814 1.00 21.03 C ATOM 2671 C GLU B 74 -2.706 -5.474 -1.475 1.00 4.41 C ATOM 2672 O GLU B 74 -1.770 -5.971 -0.822 1.00 13.32 O ATOM 2673 CB GLU B 74 -5.026 -5.465 -0.668 1.00 74.40 C ATOM 2674 CG GLU B 74 -6.095 -4.903 0.232 1.00 25.23 C ATOM 2675 CD GLU B 74 -7.201 -5.905 0.451 1.00 51.13 C ATOM 2676 OE1 GLU B 74 -6.904 -7.027 0.945 1.00 72.54 O ATOM 2677 OE2 GLU B 74 -8.371 -5.603 0.171 1.00 5.20 O ATOM 0 H GLU B 74 -4.945 -3.254 -1.903 1.00 73.25 H new ATOM 0 HA GLU B 74 -3.437 -4.292 0.175 1.00 21.03 H new ATOM 0 HB2 GLU B 74 -5.455 -5.616 -1.659 1.00 74.40 H new ATOM 0 HB3 GLU B 74 -4.741 -6.447 -0.291 1.00 74.40 H new ATOM 0 HG2 GLU B 74 -5.658 -4.623 1.191 1.00 25.23 H new ATOM 0 HG3 GLU B 74 -6.505 -3.994 -0.208 1.00 25.23 H new ATOM 2684 N GLU B 75 -2.854 -5.632 -2.765 1.00 72.11 N ATOM 2685 CA GLU B 75 -1.974 -6.429 -3.553 1.00 42.24 C ATOM 2686 C GLU B 75 -0.540 -5.839 -3.525 1.00 54.13 C ATOM 2687 O GLU B 75 0.449 -6.580 -3.404 1.00 34.52 O ATOM 2688 CB GLU B 75 -2.549 -6.527 -4.964 1.00 22.13 C ATOM 2689 CG GLU B 75 -1.828 -7.476 -5.869 1.00 71.14 C ATOM 2690 CD GLU B 75 -1.753 -8.866 -5.305 1.00 65.13 C ATOM 2691 OE1 GLU B 75 -2.682 -9.654 -5.510 1.00 54.21 O ATOM 2692 OE2 GLU B 75 -0.770 -9.189 -4.659 1.00 62.23 O ATOM 0 H GLU B 75 -3.607 -5.198 -3.300 1.00 72.11 H new ATOM 0 HA GLU B 75 -1.894 -7.437 -3.146 1.00 42.24 H new ATOM 0 HB2 GLU B 75 -3.593 -6.834 -4.896 1.00 22.13 H new ATOM 0 HB3 GLU B 75 -2.537 -5.535 -5.416 1.00 22.13 H new ATOM 0 HG2 GLU B 75 -2.333 -7.506 -6.835 1.00 71.14 H new ATOM 0 HG3 GLU B 75 -0.819 -7.106 -6.048 1.00 71.14 H new ATOM 2699 N LEU B 76 -0.446 -4.505 -3.591 1.00 51.31 N ATOM 2700 CA LEU B 76 0.840 -3.798 -3.502 1.00 40.25 C ATOM 2701 C LEU B 76 1.500 -4.100 -2.163 1.00 12.22 C ATOM 2702 O LEU B 76 2.682 -4.475 -2.105 1.00 32.45 O ATOM 2703 CB LEU B 76 0.655 -2.265 -3.592 1.00 20.51 C ATOM 2704 CG LEU B 76 -0.007 -1.686 -4.841 1.00 3.44 C ATOM 2705 CD1 LEU B 76 -0.113 -0.181 -4.721 1.00 15.04 C ATOM 2706 CD2 LEU B 76 0.760 -2.047 -6.086 1.00 72.41 C ATOM 0 H LEU B 76 -1.251 -3.889 -3.707 1.00 51.31 H new ATOM 0 HA LEU B 76 1.454 -4.140 -4.335 1.00 40.25 H new ATOM 0 HB2 LEU B 76 0.069 -1.950 -2.729 1.00 20.51 H new ATOM 0 HB3 LEU B 76 1.639 -1.805 -3.494 1.00 20.51 H new ATOM 0 HG LEU B 76 -1.005 -2.116 -4.921 1.00 3.44 H new ATOM 0 HD11 LEU B 76 -0.586 0.223 -5.616 1.00 15.04 H new ATOM 0 HD12 LEU B 76 -0.713 0.073 -3.847 1.00 15.04 H new ATOM 0 HD13 LEU B 76 0.884 0.247 -4.613 1.00 15.04 H new ATOM 0 HD21 LEU B 76 0.262 -1.620 -6.957 1.00 72.41 H new ATOM 0 HD22 LEU B 76 1.773 -1.651 -6.017 1.00 72.41 H new ATOM 0 HD23 LEU B 76 0.800 -3.132 -6.187 1.00 72.41 H new ATOM 2718 N THR B 77 0.717 -3.956 -1.089 1.00 34.22 N ATOM 2719 CA THR B 77 1.210 -4.137 0.252 1.00 12.33 C ATOM 2720 C THR B 77 1.818 -5.551 0.470 1.00 1.41 C ATOM 2721 O THR B 77 2.882 -5.682 1.084 1.00 13.33 O ATOM 2722 CB THR B 77 0.084 -3.852 1.273 1.00 65.02 C ATOM 2723 OG1 THR B 77 -0.428 -2.534 1.040 1.00 44.43 O ATOM 2724 CG2 THR B 77 0.603 -3.919 2.701 1.00 32.10 C ATOM 0 H THR B 77 -0.272 -3.711 -1.140 1.00 34.22 H new ATOM 0 HA THR B 77 2.019 -3.423 0.408 1.00 12.33 H new ATOM 0 HB THR B 77 -0.693 -4.606 1.146 1.00 65.02 H new ATOM 0 HG1 THR B 77 -1.008 -2.543 0.250 1.00 44.43 H new ATOM 0 HG21 THR B 77 -0.213 -3.714 3.395 1.00 32.10 H new ATOM 0 HG22 THR B 77 1.004 -4.914 2.896 1.00 32.10 H new ATOM 0 HG23 THR B 77 1.390 -3.177 2.837 1.00 32.10 H new ATOM 2732 N LYS B 78 1.178 -6.589 -0.078 1.00 41.01 N ATOM 2733 CA LYS B 78 1.672 -7.967 0.109 1.00 32.42 C ATOM 2734 C LYS B 78 3.068 -8.159 -0.459 1.00 22.23 C ATOM 2735 O LYS B 78 3.931 -8.765 0.174 1.00 12.33 O ATOM 2736 CB LYS B 78 0.712 -9.017 -0.464 1.00 13.12 C ATOM 2737 CG LYS B 78 -0.639 -9.007 0.209 1.00 51.44 C ATOM 2738 CD LYS B 78 -1.603 -10.142 -0.223 1.00 71.22 C ATOM 2739 CE LYS B 78 -1.925 -10.161 -1.720 1.00 54.04 C ATOM 2740 NZ LYS B 78 -0.809 -10.667 -2.555 1.00 63.15 N ATOM 0 H LYS B 78 0.333 -6.511 -0.644 1.00 41.01 H new ATOM 0 HA LYS B 78 1.724 -8.118 1.187 1.00 32.42 H new ATOM 0 HB2 LYS B 78 0.582 -8.839 -1.531 1.00 13.12 H new ATOM 0 HB3 LYS B 78 1.158 -10.006 -0.358 1.00 13.12 H new ATOM 0 HG2 LYS B 78 -0.490 -9.070 1.287 1.00 51.44 H new ATOM 0 HG3 LYS B 78 -1.119 -8.049 0.009 1.00 51.44 H new ATOM 0 HD2 LYS B 78 -1.164 -11.100 0.054 1.00 71.22 H new ATOM 0 HD3 LYS B 78 -2.534 -10.044 0.336 1.00 71.22 H new ATOM 0 HE2 LYS B 78 -2.805 -10.782 -1.887 1.00 54.04 H new ATOM 0 HE3 LYS B 78 -2.182 -9.152 -2.042 1.00 54.04 H new ATOM 0 HZ1 LYS B 78 -0.484 -9.913 -3.193 1.00 63.15 H new ATOM 0 HZ2 LYS B 78 -0.024 -10.964 -1.942 1.00 63.15 H new ATOM 0 HZ3 LYS B 78 -1.136 -11.479 -3.117 1.00 63.15 H new ATOM 2754 N TYR B 79 3.286 -7.620 -1.626 1.00 14.02 N ATOM 2755 CA TYR B 79 4.580 -7.724 -2.298 1.00 11.35 C ATOM 2756 C TYR B 79 5.651 -6.957 -1.589 1.00 10.14 C ATOM 2757 O TYR B 79 6.826 -7.336 -1.619 1.00 63.04 O ATOM 2758 CB TYR B 79 4.491 -7.323 -3.758 1.00 34.33 C ATOM 2759 CG TYR B 79 3.843 -8.362 -4.640 1.00 60.25 C ATOM 2760 CD1 TYR B 79 2.765 -9.116 -4.204 1.00 32.22 C ATOM 2761 CD2 TYR B 79 4.330 -8.595 -5.900 1.00 32.53 C ATOM 2762 CE1 TYR B 79 2.190 -10.071 -5.019 1.00 61.53 C ATOM 2763 CE2 TYR B 79 3.775 -9.537 -6.725 1.00 52.02 C ATOM 2764 CZ TYR B 79 2.699 -10.278 -6.284 1.00 72.23 C ATOM 2765 OH TYR B 79 2.135 -11.230 -7.108 1.00 31.25 O ATOM 0 H TYR B 79 2.584 -7.095 -2.148 1.00 14.02 H new ATOM 0 HA TYR B 79 4.863 -8.776 -2.262 1.00 11.35 H new ATOM 0 HB2 TYR B 79 3.928 -6.393 -3.835 1.00 34.33 H new ATOM 0 HB3 TYR B 79 5.495 -7.120 -4.130 1.00 34.33 H new ATOM 0 HD1 TYR B 79 2.369 -8.954 -3.212 1.00 32.22 H new ATOM 0 HD2 TYR B 79 5.174 -8.020 -6.252 1.00 32.53 H new ATOM 0 HE1 TYR B 79 1.349 -10.651 -4.669 1.00 61.53 H new ATOM 0 HE2 TYR B 79 4.177 -9.698 -7.714 1.00 52.02 H new ATOM 0 HH TYR B 79 2.613 -11.247 -7.964 1.00 31.25 H new ATOM 2775 N TYR B 80 5.273 -5.878 -0.964 1.00 62.22 N ATOM 2776 CA TYR B 80 6.216 -5.090 -0.236 1.00 70.21 C ATOM 2777 C TYR B 80 6.739 -5.865 0.971 1.00 74.21 C ATOM 2778 O TYR B 80 7.942 -5.974 1.164 1.00 31.10 O ATOM 2779 CB TYR B 80 5.607 -3.765 0.183 1.00 22.43 C ATOM 2780 CG TYR B 80 6.590 -2.856 0.862 1.00 21.42 C ATOM 2781 CD1 TYR B 80 7.625 -2.305 0.146 1.00 53.43 C ATOM 2782 CD2 TYR B 80 6.491 -2.559 2.213 1.00 4.24 C ATOM 2783 CE1 TYR B 80 8.538 -1.484 0.734 1.00 72.21 C ATOM 2784 CE2 TYR B 80 7.405 -1.728 2.818 1.00 3.25 C ATOM 2785 CZ TYR B 80 8.430 -1.192 2.070 1.00 41.11 C ATOM 2786 OH TYR B 80 9.348 -0.364 2.664 1.00 61.41 O ATOM 0 H TYR B 80 4.316 -5.527 -0.946 1.00 62.22 H new ATOM 0 HA TYR B 80 7.060 -4.872 -0.890 1.00 70.21 H new ATOM 0 HB2 TYR B 80 5.203 -3.263 -0.696 1.00 22.43 H new ATOM 0 HB3 TYR B 80 4.770 -3.953 0.855 1.00 22.43 H new ATOM 0 HD1 TYR B 80 7.716 -2.528 -0.907 1.00 53.43 H new ATOM 0 HD2 TYR B 80 5.688 -2.985 2.796 1.00 4.24 H new ATOM 0 HE1 TYR B 80 9.344 -1.064 0.151 1.00 72.21 H new ATOM 0 HE2 TYR B 80 7.320 -1.498 3.870 1.00 3.25 H new ATOM 0 HH TYR B 80 10.005 -0.073 1.998 1.00 61.41 H new ATOM 2796 N LEU B 81 5.833 -6.428 1.760 1.00 12.32 N ATOM 2797 CA LEU B 81 6.226 -7.204 2.944 1.00 54.12 C ATOM 2798 C LEU B 81 6.927 -8.504 2.571 1.00 60.52 C ATOM 2799 O LEU B 81 7.742 -9.028 3.354 1.00 62.33 O ATOM 2800 CB LEU B 81 5.045 -7.479 3.899 1.00 32.45 C ATOM 2801 CG LEU B 81 4.521 -6.303 4.751 1.00 52.52 C ATOM 2802 CD1 LEU B 81 3.963 -5.181 3.910 1.00 64.11 C ATOM 2803 CD2 LEU B 81 3.485 -6.788 5.741 1.00 1.03 C ATOM 0 H LEU B 81 4.826 -6.367 1.609 1.00 12.32 H new ATOM 0 HA LEU B 81 6.938 -6.578 3.481 1.00 54.12 H new ATOM 0 HB2 LEU B 81 4.214 -7.858 3.304 1.00 32.45 H new ATOM 0 HB3 LEU B 81 5.342 -8.278 4.578 1.00 32.45 H new ATOM 0 HG LEU B 81 5.375 -5.898 5.294 1.00 52.52 H new ATOM 0 HD11 LEU B 81 3.609 -4.381 4.560 1.00 64.11 H new ATOM 0 HD12 LEU B 81 4.743 -4.796 3.253 1.00 64.11 H new ATOM 0 HD13 LEU B 81 3.134 -5.554 3.309 1.00 64.11 H new ATOM 0 HD21 LEU B 81 3.126 -5.947 6.334 1.00 1.03 H new ATOM 0 HD22 LEU B 81 2.649 -7.236 5.203 1.00 1.03 H new ATOM 0 HD23 LEU B 81 3.932 -7.532 6.401 1.00 1.03 H new ATOM 2815 N ALA B 82 6.645 -9.001 1.370 1.00 64.22 N ATOM 2816 CA ALA B 82 7.240 -10.232 0.856 1.00 71.42 C ATOM 2817 C ALA B 82 8.791 -10.235 0.900 1.00 20.41 C ATOM 2818 O ALA B 82 9.405 -11.311 0.901 1.00 0.12 O ATOM 2819 CB ALA B 82 6.746 -10.521 -0.546 1.00 34.03 C ATOM 0 H ALA B 82 5.993 -8.559 0.722 1.00 64.22 H new ATOM 0 HA ALA B 82 6.914 -11.029 1.525 1.00 71.42 H new ATOM 0 HB1 ALA B 82 7.202 -11.442 -0.910 1.00 34.03 H new ATOM 0 HB2 ALA B 82 5.662 -10.633 -0.534 1.00 34.03 H new ATOM 0 HB3 ALA B 82 7.019 -9.697 -1.205 1.00 34.03 H new ATOM 2825 N ASN B 83 9.427 -9.038 0.926 1.00 71.30 N ATOM 2826 CA ASN B 83 10.917 -8.946 0.928 1.00 13.23 C ATOM 2827 C ASN B 83 11.528 -9.644 2.159 1.00 40.23 C ATOM 2828 O ASN B 83 12.661 -10.102 2.117 1.00 13.12 O ATOM 2829 CB ASN B 83 11.446 -7.480 0.859 1.00 55.41 C ATOM 2830 CG ASN B 83 11.350 -6.696 2.178 1.00 40.40 C ATOM 2831 OD1 ASN B 83 12.262 -6.728 2.999 1.00 73.11 O ATOM 2832 ND2 ASN B 83 10.281 -5.984 2.383 1.00 13.45 N ATOM 0 H ASN B 83 8.948 -8.138 0.946 1.00 71.30 H new ATOM 0 HA ASN B 83 11.234 -9.459 0.020 1.00 13.23 H new ATOM 0 HB2 ASN B 83 12.488 -7.500 0.540 1.00 55.41 H new ATOM 0 HB3 ASN B 83 10.888 -6.943 0.092 1.00 55.41 H new ATOM 0 HD21 ASN B 83 10.189 -5.438 3.239 1.00 13.45 H new ATOM 0 HD22 ASN B 83 9.535 -5.972 1.687 1.00 13.45 H new ATOM 2839 N HIS B 84 10.757 -9.750 3.243 1.00 33.12 N ATOM 2840 CA HIS B 84 11.251 -10.413 4.468 1.00 61.43 C ATOM 2841 C HIS B 84 11.046 -11.921 4.440 1.00 4.11 C ATOM 2842 O HIS B 84 11.309 -12.603 5.426 1.00 25.10 O ATOM 2843 CB HIS B 84 10.640 -9.828 5.757 1.00 71.31 C ATOM 2844 CG HIS B 84 11.293 -8.579 6.268 1.00 61.31 C ATOM 2845 ND1 HIS B 84 12.259 -8.606 7.242 1.00 71.30 N ATOM 2846 CD2 HIS B 84 11.102 -7.269 5.974 1.00 55.42 C ATOM 2847 CE1 HIS B 84 12.638 -7.386 7.526 1.00 12.25 C ATOM 2848 NE2 HIS B 84 11.959 -6.553 6.775 1.00 30.13 N ATOM 0 H HIS B 84 9.803 -9.394 3.306 1.00 33.12 H new ATOM 0 HA HIS B 84 12.322 -10.212 4.482 1.00 61.43 H new ATOM 0 HB2 HIS B 84 9.586 -9.619 5.577 1.00 71.31 H new ATOM 0 HB3 HIS B 84 10.686 -10.587 6.538 1.00 71.31 H new ATOM 0 HD2 HIS B 84 10.410 -6.866 5.250 1.00 55.42 H new ATOM 0 HE1 HIS B 84 13.385 -7.111 8.256 1.00 12.25 H new ATOM 0 HE2 HIS B 84 12.052 -5.537 6.784 1.00 30.13 H new ATOM 2857 N GLY B 85 10.596 -12.443 3.316 1.00 62.00 N ATOM 2858 CA GLY B 85 10.348 -13.871 3.224 1.00 32.02 C ATOM 2859 C GLY B 85 9.011 -14.219 3.819 1.00 64.15 C ATOM 2860 O GLY B 85 8.726 -15.379 4.119 1.00 1.22 O ATOM 0 H GLY B 85 10.397 -11.913 2.468 1.00 62.00 H new ATOM 0 HA2 GLY B 85 10.379 -14.184 2.180 1.00 32.02 H new ATOM 0 HA3 GLY B 85 11.136 -14.416 3.744 1.00 32.02 H new ATOM 2864 N ILE B 86 8.195 -13.200 3.994 1.00 71.21 N ATOM 2865 CA ILE B 86 6.889 -13.344 4.573 1.00 41.14 C ATOM 2866 C ILE B 86 5.916 -13.827 3.525 1.00 73.30 C ATOM 2867 O ILE B 86 5.862 -13.279 2.410 1.00 41.42 O ATOM 2868 CB ILE B 86 6.377 -12.001 5.159 1.00 65.23 C ATOM 2869 CG1 ILE B 86 7.334 -11.481 6.233 1.00 73.45 C ATOM 2870 CG2 ILE B 86 4.972 -12.165 5.739 1.00 12.53 C ATOM 2871 CD1 ILE B 86 6.912 -10.158 6.833 1.00 40.21 C ATOM 0 H ILE B 86 8.429 -12.242 3.733 1.00 71.21 H new ATOM 0 HA ILE B 86 6.962 -14.070 5.383 1.00 41.14 H new ATOM 0 HB ILE B 86 6.335 -11.273 4.349 1.00 65.23 H new ATOM 0 HG12 ILE B 86 7.411 -12.222 7.028 1.00 73.45 H new ATOM 0 HG13 ILE B 86 8.328 -11.373 5.800 1.00 73.45 H new ATOM 0 HG21 ILE B 86 4.632 -11.212 6.144 1.00 12.53 H new ATOM 0 HG22 ILE B 86 4.290 -12.489 4.953 1.00 12.53 H new ATOM 0 HG23 ILE B 86 4.991 -12.911 6.533 1.00 12.53 H new ATOM 0 HD11 ILE B 86 7.638 -9.852 7.586 1.00 40.21 H new ATOM 0 HD12 ILE B 86 6.862 -9.402 6.049 1.00 40.21 H new ATOM 0 HD13 ILE B 86 5.931 -10.265 7.296 1.00 40.21 H new ATOM 2883 N ASP B 87 5.175 -14.842 3.857 1.00 32.44 N ATOM 2884 CA ASP B 87 4.168 -15.356 2.963 1.00 33.33 C ATOM 2885 C ASP B 87 2.841 -14.857 3.386 1.00 12.25 C ATOM 2886 O ASP B 87 2.404 -15.113 4.502 1.00 22.23 O ATOM 2887 CB ASP B 87 4.150 -16.877 2.899 1.00 1.31 C ATOM 2888 CG ASP B 87 5.430 -17.460 2.389 1.00 52.34 C ATOM 2889 OD1 ASP B 87 5.893 -17.052 1.302 1.00 12.11 O ATOM 2890 OD2 ASP B 87 5.974 -18.365 3.039 1.00 74.13 O ATOM 0 H ASP B 87 5.246 -15.337 4.746 1.00 32.44 H new ATOM 0 HA ASP B 87 4.412 -15.002 1.961 1.00 33.33 H new ATOM 0 HB2 ASP B 87 3.948 -17.274 3.894 1.00 1.31 H new ATOM 0 HB3 ASP B 87 3.330 -17.198 2.256 1.00 1.31 H new ATOM 2895 N ILE B 88 2.204 -14.144 2.520 1.00 14.33 N ATOM 2896 CA ILE B 88 0.935 -13.558 2.814 1.00 62.13 C ATOM 2897 C ILE B 88 -0.100 -14.198 1.910 1.00 54.11 C ATOM 2898 O ILE B 88 0.243 -14.664 0.820 1.00 33.44 O ATOM 2899 CB ILE B 88 0.966 -12.027 2.587 1.00 75.34 C ATOM 2900 CG1 ILE B 88 2.188 -11.417 3.287 1.00 33.34 C ATOM 2901 CG2 ILE B 88 -0.314 -11.389 3.126 1.00 21.23 C ATOM 2902 CD1 ILE B 88 2.307 -9.929 3.113 1.00 53.44 C ATOM 0 H ILE B 88 2.550 -13.948 1.580 1.00 14.33 H new ATOM 0 HA ILE B 88 0.686 -13.731 3.861 1.00 62.13 H new ATOM 0 HB ILE B 88 1.035 -11.832 1.517 1.00 75.34 H new ATOM 0 HG12 ILE B 88 2.137 -11.646 4.351 1.00 33.34 H new ATOM 0 HG13 ILE B 88 3.090 -11.892 2.902 1.00 33.34 H new ATOM 0 HG21 ILE B 88 -0.281 -10.312 2.961 1.00 21.23 H new ATOM 0 HG22 ILE B 88 -1.176 -11.809 2.608 1.00 21.23 H new ATOM 0 HG23 ILE B 88 -0.399 -11.590 4.194 1.00 21.23 H new ATOM 0 HD11 ILE B 88 3.194 -9.571 3.636 1.00 53.44 H new ATOM 0 HD12 ILE B 88 2.391 -9.692 2.052 1.00 53.44 H new ATOM 0 HD13 ILE B 88 1.423 -9.443 3.525 1.00 53.44 H new