USER MOD reduce.3.24.130724 H: found=0, std=0, add=1134, rem=0, adj=30 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: A 21 SER OG : rot -28:sc= 1.21 USER MOD Set 1.2: B 80 TYR OH : rot 150:sc= 1.11 USER MOD Set 2.1: A 79 TYR OH : rot 90:sc=0.000627 USER MOD Set 2.2: A 83 ASN : amide:sc= 1.11 K(o=1.3,f=-0.51) USER MOD Set 2.3: B 79 TYR OH : rot 110:sc= 0.156 USER MOD Set 3.1: A 80 TYR OH : rot -104:sc= 1.25 USER MOD Set 3.2: B 21 SER OG : rot 180:sc= 1.06 USER MOD Set 4.1: A 73 MET CE :methyl 159:sc= -1.27 (180deg=-2.1!) USER MOD Set 4.2: B 73 MET CE :methyl -120:sc= -1.92 (180deg=-3.24!) USER MOD Set 5.1: A 40 ASN : amide:sc= 0.00212 X(o=0.23,f=0.26) USER MOD Set 5.2: A 41 GLN : amide:sc= 0.23 X(o=0.23,f=0.26) USER MOD Set 6.1: A 23 THR OG1 : rot 75:sc= 1.21 USER MOD Set 6.2: A 67 HIS : no HD1:sc= -0.293 X(o=0.92,f=0.85) USER MOD Single : A 26 THR OG1 : rot 77:sc= 1.08 USER MOD Single : A 28 TYR OH : rot 130:sc= -0.542 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 37 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 45 TYR OH : rot 50:sc= 0.769 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.27 K(o=-1.3,f=-5!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 77 THR OG1 : rot 100:sc= 0.424 USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= 0.462 (180deg=0.194) USER MOD Single : A 84 HIS : no HE2:sc= -0.487 K(o=-0.49,f=-4.3!) USER MOD Single : B 23 THR OG1 : rot 83:sc= 1.25 USER MOD Single : B 26 THR OG1 : rot -11:sc= 0.246 USER MOD Single : B 28 TYR OH : rot 110:sc= -0.361 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 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 ASN : amide:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : B 41 GLN :FLIP amide:sc= -0.101 F(o=-1.2,f=-0.1) USER MOD Single : B 45 TYR OH : rot 60:sc= 1.16 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 63:sc= 0.548 USER MOD Single : B 58 GLN : amide:sc= -0.66 K(o=-0.66,f=-5.3!) USER MOD Single : B 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 67 HIS : no HD1:sc= -0.0401 X(o=-0.04,f=-0.0011) USER MOD Single : B 77 THR OG1 : rot 79:sc= 0.459 USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 ASN : amide:sc= 0.854 K(o=0.85,f=-0.0074) USER MOD Single : B 84 HIS : no HE2:sc= -1.23 X(o=-1.2,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 300 N ALA A 19 13.553 0.721 6.032 1.00 41.51 N ATOM 301 CA ALA A 19 13.153 0.763 7.418 1.00 24.32 C ATOM 302 C ALA A 19 11.645 0.740 7.447 1.00 62.42 C ATOM 303 O ALA A 19 11.022 0.242 8.385 1.00 11.43 O ATOM 304 CB ALA A 19 13.644 2.035 8.048 1.00 23.53 C ATOM 0 HA ALA A 19 13.569 -0.082 7.967 1.00 24.32 H new ATOM 0 HB1 ALA A 19 13.340 2.064 9.094 1.00 23.53 H new ATOM 0 HB2 ALA A 19 14.731 2.076 7.984 1.00 23.53 H new ATOM 0 HB3 ALA A 19 13.217 2.889 7.523 1.00 23.53 H new ATOM 310 N ILE A 20 11.060 1.287 6.380 1.00 22.03 N ATOM 311 CA ILE A 20 9.632 1.268 6.168 1.00 73.00 C ATOM 312 C ILE A 20 9.187 -0.190 6.035 1.00 30.20 C ATOM 313 O ILE A 20 8.111 -0.574 6.495 1.00 23.21 O ATOM 314 CB ILE A 20 9.260 2.039 4.867 1.00 44.40 C ATOM 315 CG1 ILE A 20 9.741 3.498 4.958 1.00 44.43 C ATOM 316 CG2 ILE A 20 7.758 1.984 4.613 1.00 55.14 C ATOM 317 CD1 ILE A 20 9.476 4.328 3.714 1.00 32.10 C ATOM 0 H ILE A 20 11.579 1.757 5.638 1.00 22.03 H new ATOM 0 HA ILE A 20 9.134 1.750 7.009 1.00 73.00 H new ATOM 0 HB ILE A 20 9.761 1.558 4.027 1.00 44.40 H new ATOM 0 HG12 ILE A 20 9.254 3.975 5.808 1.00 44.43 H new ATOM 0 HG13 ILE A 20 10.812 3.502 5.161 1.00 44.43 H new ATOM 0 HG21 ILE A 20 7.523 2.530 3.699 1.00 55.14 H new ATOM 0 HG22 ILE A 20 7.445 0.945 4.506 1.00 55.14 H new ATOM 0 HG23 ILE A 20 7.230 2.438 5.452 1.00 55.14 H new ATOM 0 HD11 ILE A 20 9.847 5.341 3.867 1.00 32.10 H new ATOM 0 HD12 ILE A 20 9.986 3.879 2.862 1.00 32.10 H new ATOM 0 HD13 ILE A 20 8.404 4.360 3.519 1.00 32.10 H new ATOM 329 N SER A 21 10.068 -0.998 5.462 1.00 52.00 N ATOM 330 CA SER A 21 9.794 -2.403 5.256 1.00 4.35 C ATOM 331 C SER A 21 9.763 -3.106 6.611 1.00 50.44 C ATOM 332 O SER A 21 8.857 -3.890 6.894 1.00 52.11 O ATOM 333 CB SER A 21 10.866 -3.018 4.352 1.00 74.00 C ATOM 334 OG SER A 21 11.004 -2.272 3.140 1.00 62.31 O ATOM 0 H SER A 21 10.984 -0.696 5.131 1.00 52.00 H new ATOM 0 HA SER A 21 8.827 -2.525 4.767 1.00 4.35 H new ATOM 0 HB2 SER A 21 11.820 -3.043 4.878 1.00 74.00 H new ATOM 0 HB3 SER A 21 10.603 -4.050 4.120 1.00 74.00 H new ATOM 0 HG SER A 21 10.153 -1.837 2.925 1.00 62.31 H new ATOM 340 N GLU A 22 10.744 -2.770 7.459 1.00 3.42 N ATOM 341 CA GLU A 22 10.847 -3.303 8.820 1.00 32.12 C ATOM 342 C GLU A 22 9.586 -2.941 9.596 1.00 10.00 C ATOM 343 O GLU A 22 8.978 -3.779 10.288 1.00 75.24 O ATOM 344 CB GLU A 22 12.050 -2.669 9.537 1.00 3.11 C ATOM 345 CG GLU A 22 13.390 -2.853 8.845 1.00 43.34 C ATOM 346 CD GLU A 22 13.811 -4.291 8.742 1.00 35.31 C ATOM 347 OE1 GLU A 22 13.611 -4.909 7.676 1.00 52.15 O ATOM 348 OE2 GLU A 22 14.361 -4.822 9.718 1.00 21.54 O ATOM 0 H GLU A 22 11.490 -2.118 7.217 1.00 3.42 H new ATOM 0 HA GLU A 22 10.970 -4.385 8.770 1.00 32.12 H new ATOM 0 HB2 GLU A 22 11.862 -1.601 9.651 1.00 3.11 H new ATOM 0 HB3 GLU A 22 12.117 -3.090 10.540 1.00 3.11 H new ATOM 0 HG2 GLU A 22 13.337 -2.424 7.844 1.00 43.34 H new ATOM 0 HG3 GLU A 22 14.152 -2.296 9.390 1.00 43.34 H new ATOM 355 N THR A 23 9.194 -1.687 9.452 1.00 31.14 N ATOM 356 CA THR A 23 8.043 -1.145 10.123 1.00 60.33 C ATOM 357 C THR A 23 6.767 -1.914 9.745 1.00 74.31 C ATOM 358 O THR A 23 6.065 -2.423 10.617 1.00 43.44 O ATOM 359 CB THR A 23 7.869 0.352 9.751 1.00 32.34 C ATOM 360 OG1 THR A 23 9.058 1.085 10.090 1.00 30.22 O ATOM 361 CG2 THR A 23 6.684 0.964 10.480 1.00 52.00 C ATOM 0 H THR A 23 9.677 -1.015 8.857 1.00 31.14 H new ATOM 0 HA THR A 23 8.203 -1.243 11.197 1.00 60.33 H new ATOM 0 HB THR A 23 7.690 0.410 8.677 1.00 32.34 H new ATOM 0 HG1 THR A 23 9.764 0.882 9.441 1.00 30.22 H new ATOM 0 HG21 THR A 23 6.587 2.013 10.200 1.00 52.00 H new ATOM 0 HG22 THR A 23 5.774 0.430 10.208 1.00 52.00 H new ATOM 0 HG23 THR A 23 6.841 0.889 11.556 1.00 52.00 H new ATOM 369 N LEU A 24 6.513 -2.045 8.453 1.00 42.01 N ATOM 370 CA LEU A 24 5.290 -2.678 7.980 1.00 14.22 C ATOM 371 C LEU A 24 5.266 -4.173 8.266 1.00 2.02 C ATOM 372 O LEU A 24 4.209 -4.736 8.535 1.00 10.25 O ATOM 373 CB LEU A 24 5.062 -2.394 6.497 1.00 64.43 C ATOM 374 CG LEU A 24 4.921 -0.916 6.110 1.00 61.24 C ATOM 375 CD1 LEU A 24 4.690 -0.778 4.621 1.00 11.42 C ATOM 376 CD2 LEU A 24 3.793 -0.248 6.891 1.00 62.35 C ATOM 0 H LEU A 24 7.136 -1.722 7.713 1.00 42.01 H new ATOM 0 HA LEU A 24 4.466 -2.237 8.540 1.00 14.22 H new ATOM 0 HB2 LEU A 24 5.893 -2.819 5.934 1.00 64.43 H new ATOM 0 HB3 LEU A 24 4.161 -2.920 6.181 1.00 64.43 H new ATOM 0 HG LEU A 24 5.852 -0.410 6.366 1.00 61.24 H new ATOM 0 HD11 LEU A 24 4.592 0.277 4.364 1.00 11.42 H new ATOM 0 HD12 LEU A 24 5.534 -1.206 4.081 1.00 11.42 H new ATOM 0 HD13 LEU A 24 3.777 -1.305 4.344 1.00 11.42 H new ATOM 0 HD21 LEU A 24 3.716 0.799 6.596 1.00 62.35 H new ATOM 0 HD22 LEU A 24 2.852 -0.755 6.677 1.00 62.35 H new ATOM 0 HD23 LEU A 24 4.004 -0.310 7.959 1.00 62.35 H new ATOM 388 N GLU A 25 6.433 -4.807 8.231 1.00 32.24 N ATOM 389 CA GLU A 25 6.550 -6.230 8.520 1.00 52.20 C ATOM 390 C GLU A 25 6.150 -6.458 9.987 1.00 24.24 C ATOM 391 O GLU A 25 5.426 -7.395 10.313 1.00 73.11 O ATOM 392 CB GLU A 25 8.006 -6.672 8.198 1.00 65.02 C ATOM 393 CG GLU A 25 8.329 -8.182 8.198 1.00 44.01 C ATOM 394 CD GLU A 25 8.453 -8.831 9.564 1.00 61.01 C ATOM 395 OE1 GLU A 25 7.609 -9.674 9.927 1.00 24.20 O ATOM 396 OE2 GLU A 25 9.441 -8.536 10.275 1.00 13.14 O ATOM 0 H GLU A 25 7.317 -4.353 8.003 1.00 32.24 H new ATOM 0 HA GLU A 25 5.885 -6.838 7.907 1.00 52.20 H new ATOM 0 HB2 GLU A 25 8.264 -6.277 7.215 1.00 65.02 H new ATOM 0 HB3 GLU A 25 8.667 -6.191 8.919 1.00 65.02 H new ATOM 0 HG2 GLU A 25 7.550 -8.701 7.640 1.00 44.01 H new ATOM 0 HG3 GLU A 25 9.264 -8.334 7.658 1.00 44.01 H new ATOM 403 N THR A 26 6.566 -5.530 10.848 1.00 63.51 N ATOM 404 CA THR A 26 6.221 -5.567 12.256 1.00 63.35 C ATOM 405 C THR A 26 4.705 -5.309 12.446 1.00 74.25 C ATOM 406 O THR A 26 4.028 -6.018 13.211 1.00 1.01 O ATOM 407 CB THR A 26 7.028 -4.506 13.041 1.00 42.50 C ATOM 408 OG1 THR A 26 8.443 -4.736 12.862 1.00 2.33 O ATOM 409 CG2 THR A 26 6.703 -4.568 14.522 1.00 3.32 C ATOM 0 H THR A 26 7.150 -4.736 10.584 1.00 63.51 H new ATOM 0 HA THR A 26 6.468 -6.557 12.640 1.00 63.35 H new ATOM 0 HB THR A 26 6.757 -3.522 12.658 1.00 42.50 H new ATOM 0 HG1 THR A 26 8.718 -4.412 11.979 1.00 2.33 H new ATOM 0 HG21 THR A 26 7.282 -3.813 15.054 1.00 3.32 H new ATOM 0 HG22 THR A 26 5.640 -4.380 14.669 1.00 3.32 H new ATOM 0 HG23 THR A 26 6.953 -5.556 14.908 1.00 3.32 H new ATOM 417 N VAL A 27 4.185 -4.304 11.731 1.00 25.43 N ATOM 418 CA VAL A 27 2.760 -3.956 11.782 1.00 25.22 C ATOM 419 C VAL A 27 1.907 -5.156 11.366 1.00 31.32 C ATOM 420 O VAL A 27 0.872 -5.453 11.986 1.00 2.42 O ATOM 421 CB VAL A 27 2.429 -2.733 10.868 1.00 15.54 C ATOM 422 CG1 VAL A 27 0.950 -2.426 10.901 1.00 33.13 C ATOM 423 CG2 VAL A 27 3.209 -1.499 11.297 1.00 22.14 C ATOM 0 H VAL A 27 4.734 -3.714 11.106 1.00 25.43 H new ATOM 0 HA VAL A 27 2.528 -3.681 12.811 1.00 25.22 H new ATOM 0 HB VAL A 27 2.720 -2.998 9.851 1.00 15.54 H new ATOM 0 HG11 VAL A 27 0.741 -1.571 10.258 1.00 33.13 H new ATOM 0 HG12 VAL A 27 0.391 -3.292 10.547 1.00 33.13 H new ATOM 0 HG13 VAL A 27 0.649 -2.193 11.923 1.00 33.13 H new ATOM 0 HG21 VAL A 27 2.958 -0.664 10.643 1.00 22.14 H new ATOM 0 HG22 VAL A 27 2.951 -1.245 12.325 1.00 22.14 H new ATOM 0 HG23 VAL A 27 4.278 -1.703 11.231 1.00 22.14 H new ATOM 433 N TYR A 28 2.369 -5.851 10.340 1.00 55.03 N ATOM 434 CA TYR A 28 1.700 -7.030 9.838 1.00 5.13 C ATOM 435 C TYR A 28 1.577 -8.070 10.942 1.00 20.04 C ATOM 436 O TYR A 28 0.501 -8.621 11.156 1.00 34.32 O ATOM 437 CB TYR A 28 2.475 -7.616 8.638 1.00 11.14 C ATOM 438 CG TYR A 28 1.838 -8.849 8.010 1.00 24.33 C ATOM 439 CD1 TYR A 28 2.072 -10.118 8.522 1.00 62.42 C ATOM 440 CD2 TYR A 28 1.001 -8.740 6.908 1.00 74.55 C ATOM 441 CE1 TYR A 28 1.496 -11.235 7.961 1.00 71.41 C ATOM 442 CE2 TYR A 28 0.417 -9.859 6.339 1.00 52.20 C ATOM 443 CZ TYR A 28 0.670 -11.101 6.872 1.00 75.40 C ATOM 444 OH TYR A 28 0.094 -12.215 6.312 1.00 52.52 O ATOM 0 H TYR A 28 3.221 -5.609 9.834 1.00 55.03 H new ATOM 0 HA TYR A 28 0.701 -6.750 9.504 1.00 5.13 H new ATOM 0 HB2 TYR A 28 2.572 -6.845 7.874 1.00 11.14 H new ATOM 0 HB3 TYR A 28 3.484 -7.871 8.964 1.00 11.14 H new ATOM 0 HD1 TYR A 28 2.720 -10.231 9.379 1.00 62.42 H new ATOM 0 HD2 TYR A 28 0.802 -7.765 6.487 1.00 74.55 H new ATOM 0 HE1 TYR A 28 1.693 -12.213 8.375 1.00 71.41 H new ATOM 0 HE2 TYR A 28 -0.233 -9.757 5.482 1.00 52.20 H new ATOM 0 HH TYR A 28 -0.869 -12.067 6.207 1.00 52.52 H new ATOM 454 N ARG A 29 2.679 -8.299 11.661 1.00 53.03 N ATOM 455 CA ARG A 29 2.722 -9.311 12.716 1.00 11.31 C ATOM 456 C ARG A 29 1.717 -9.010 13.812 1.00 13.43 C ATOM 457 O ARG A 29 1.003 -9.898 14.281 1.00 14.12 O ATOM 458 CB ARG A 29 4.113 -9.433 13.336 1.00 1.54 C ATOM 459 CG ARG A 29 5.238 -9.718 12.355 1.00 60.02 C ATOM 460 CD ARG A 29 4.949 -10.909 11.439 1.00 40.22 C ATOM 461 NE ARG A 29 4.571 -12.125 12.170 1.00 53.44 N ATOM 462 CZ ARG A 29 5.311 -13.232 12.267 1.00 23.35 C ATOM 463 NH1 ARG A 29 6.576 -13.245 11.838 1.00 71.44 N ATOM 464 NH2 ARG A 29 4.797 -14.311 12.830 1.00 33.01 N ATOM 0 H ARG A 29 3.556 -7.794 11.530 1.00 53.03 H new ATOM 0 HA ARG A 29 2.467 -10.258 12.241 1.00 11.31 H new ATOM 0 HB2 ARG A 29 4.340 -8.507 13.865 1.00 1.54 H new ATOM 0 HB3 ARG A 29 4.092 -10.228 14.081 1.00 1.54 H new ATOM 0 HG2 ARG A 29 5.413 -8.832 11.745 1.00 60.02 H new ATOM 0 HG3 ARG A 29 6.156 -9.909 12.910 1.00 60.02 H new ATOM 0 HD2 ARG A 29 4.147 -10.643 10.751 1.00 40.22 H new ATOM 0 HD3 ARG A 29 5.832 -11.116 10.835 1.00 40.22 H new ATOM 0 HE ARG A 29 3.667 -12.124 12.643 1.00 53.44 H new ATOM 0 HH11 ARG A 29 6.985 -12.404 11.432 1.00 71.44 H new ATOM 0 HH12 ARG A 29 7.133 -14.096 11.917 1.00 71.44 H new ATOM 0 HH21 ARG A 29 3.842 -14.294 13.187 1.00 33.01 H new ATOM 0 HH22 ARG A 29 5.356 -15.161 12.908 1.00 33.01 H new ATOM 478 N ALA A 30 1.648 -7.754 14.201 1.00 12.50 N ATOM 479 CA ALA A 30 0.742 -7.329 15.251 1.00 53.10 C ATOM 480 C ALA A 30 -0.697 -7.641 14.865 1.00 1.31 C ATOM 481 O ALA A 30 -1.477 -8.180 15.656 1.00 23.23 O ATOM 482 CB ALA A 30 0.914 -5.839 15.522 1.00 2.11 C ATOM 0 H ALA A 30 2.213 -7.003 13.803 1.00 12.50 H new ATOM 0 HA ALA A 30 0.979 -7.876 16.163 1.00 53.10 H new ATOM 0 HB1 ALA A 30 0.229 -5.531 16.312 1.00 2.11 H new ATOM 0 HB2 ALA A 30 1.940 -5.642 15.834 1.00 2.11 H new ATOM 0 HB3 ALA A 30 0.697 -5.277 14.614 1.00 2.11 H new ATOM 488 N LEU A 31 -1.022 -7.317 13.651 1.00 63.03 N ATOM 489 CA LEU A 31 -2.341 -7.518 13.120 1.00 51.01 C ATOM 490 C LEU A 31 -2.673 -8.967 12.799 1.00 15.22 C ATOM 491 O LEU A 31 -3.839 -9.345 12.861 1.00 42.55 O ATOM 492 CB LEU A 31 -2.559 -6.618 11.947 1.00 61.24 C ATOM 493 CG LEU A 31 -2.628 -5.152 12.297 1.00 3.52 C ATOM 494 CD1 LEU A 31 -2.495 -4.304 11.068 1.00 42.30 C ATOM 495 CD2 LEU A 31 -3.947 -4.855 12.978 1.00 10.01 C ATOM 0 H LEU A 31 -0.369 -6.898 12.988 1.00 63.03 H new ATOM 0 HA LEU A 31 -3.042 -7.252 13.911 1.00 51.01 H new ATOM 0 HB2 LEU A 31 -1.752 -6.771 11.231 1.00 61.24 H new ATOM 0 HB3 LEU A 31 -3.485 -6.905 11.450 1.00 61.24 H new ATOM 0 HG LEU A 31 -1.804 -4.917 12.970 1.00 3.52 H new ATOM 0 HD11 LEU A 31 -2.548 -3.251 11.345 1.00 42.30 H new ATOM 0 HD12 LEU A 31 -1.537 -4.506 10.589 1.00 42.30 H new ATOM 0 HD13 LEU A 31 -3.304 -4.538 10.375 1.00 42.30 H new ATOM 0 HD21 LEU A 31 -3.996 -3.796 13.230 1.00 10.01 H new ATOM 0 HD22 LEU A 31 -4.768 -5.106 12.306 1.00 10.01 H new ATOM 0 HD23 LEU A 31 -4.028 -5.449 13.888 1.00 10.01 H new ATOM 507 N GLU A 32 -1.683 -9.779 12.446 1.00 71.32 N ATOM 508 CA GLU A 32 -1.968 -11.182 12.169 1.00 1.53 C ATOM 509 C GLU A 32 -2.208 -11.994 13.427 1.00 52.34 C ATOM 510 O GLU A 32 -2.997 -12.940 13.429 1.00 22.11 O ATOM 511 CB GLU A 32 -1.015 -11.835 11.132 1.00 32.24 C ATOM 512 CG GLU A 32 0.500 -11.767 11.369 1.00 73.02 C ATOM 513 CD GLU A 32 1.029 -12.671 12.459 1.00 30.34 C ATOM 514 OE1 GLU A 32 0.505 -13.784 12.612 1.00 3.44 O ATOM 515 OE2 GLU A 32 2.034 -12.316 13.117 1.00 43.54 O ATOM 0 H GLU A 32 -0.706 -9.503 12.347 1.00 71.32 H new ATOM 0 HA GLU A 32 -2.927 -11.191 11.651 1.00 1.53 H new ATOM 0 HB2 GLU A 32 -1.289 -12.887 11.050 1.00 32.24 H new ATOM 0 HB3 GLU A 32 -1.218 -11.377 10.164 1.00 32.24 H new ATOM 0 HG2 GLU A 32 1.008 -12.015 10.437 1.00 73.02 H new ATOM 0 HG3 GLU A 32 0.766 -10.739 11.613 1.00 73.02 H new ATOM 522 N GLU A 33 -1.562 -11.598 14.493 1.00 34.54 N ATOM 523 CA GLU A 33 -1.817 -12.169 15.820 1.00 13.31 C ATOM 524 C GLU A 33 -3.196 -11.745 16.332 1.00 21.12 C ATOM 525 O GLU A 33 -3.835 -12.458 17.102 1.00 23.13 O ATOM 526 CB GLU A 33 -0.744 -11.725 16.807 1.00 43.42 C ATOM 527 CG GLU A 33 0.604 -12.367 16.583 1.00 14.44 C ATOM 528 CD GLU A 33 0.608 -13.835 16.954 1.00 53.54 C ATOM 529 OE1 GLU A 33 0.216 -14.695 16.132 1.00 21.34 O ATOM 530 OE2 GLU A 33 1.013 -14.157 18.089 1.00 64.04 O ATOM 0 H GLU A 33 -0.844 -10.874 14.482 1.00 34.54 H new ATOM 0 HA GLU A 33 -1.791 -13.255 15.732 1.00 13.31 H new ATOM 0 HB2 GLU A 33 -0.634 -10.642 16.744 1.00 43.42 H new ATOM 0 HB3 GLU A 33 -1.079 -11.953 17.819 1.00 43.42 H new ATOM 0 HG2 GLU A 33 0.887 -12.258 15.536 1.00 14.44 H new ATOM 0 HG3 GLU A 33 1.356 -11.843 17.173 1.00 14.44 H new ATOM 537 N LYS A 34 -3.642 -10.585 15.893 1.00 2.13 N ATOM 538 CA LYS A 34 -4.932 -10.061 16.298 1.00 0.12 C ATOM 539 C LYS A 34 -6.048 -10.413 15.317 1.00 60.13 C ATOM 540 O LYS A 34 -7.217 -10.209 15.619 1.00 12.33 O ATOM 541 CB LYS A 34 -4.856 -8.552 16.437 1.00 74.13 C ATOM 542 CG LYS A 34 -4.110 -8.033 17.649 1.00 25.12 C ATOM 543 CD LYS A 34 -4.840 -8.404 18.922 1.00 52.00 C ATOM 544 CE LYS A 34 -4.212 -7.754 20.131 1.00 4.21 C ATOM 545 NZ LYS A 34 -4.913 -8.120 21.377 1.00 1.04 N ATOM 0 H LYS A 34 -3.126 -9.983 15.251 1.00 2.13 H new ATOM 0 HA LYS A 34 -5.173 -10.525 17.255 1.00 0.12 H new ATOM 0 HB2 LYS A 34 -4.381 -8.148 15.543 1.00 74.13 H new ATOM 0 HB3 LYS A 34 -5.872 -8.158 16.464 1.00 74.13 H new ATOM 0 HG2 LYS A 34 -3.102 -8.447 17.667 1.00 25.12 H new ATOM 0 HG3 LYS A 34 -4.008 -6.950 17.584 1.00 25.12 H new ATOM 0 HD2 LYS A 34 -5.884 -8.100 18.846 1.00 52.00 H new ATOM 0 HD3 LYS A 34 -4.832 -9.487 19.045 1.00 52.00 H new ATOM 0 HE2 LYS A 34 -3.166 -8.052 20.202 1.00 4.21 H new ATOM 0 HE3 LYS A 34 -4.227 -6.671 20.010 1.00 4.21 H new ATOM 0 HZ1 LYS A 34 -4.452 -7.654 22.184 1.00 1.04 H new ATOM 0 HZ2 LYS A 34 -5.905 -7.813 21.320 1.00 1.04 H new ATOM 0 HZ3 LYS A 34 -4.877 -9.151 21.506 1.00 1.04 H new ATOM 559 N GLY A 35 -5.685 -10.925 14.155 1.00 71.33 N ATOM 560 CA GLY A 35 -6.671 -11.340 13.168 1.00 73.34 C ATOM 561 C GLY A 35 -7.555 -10.196 12.662 1.00 54.34 C ATOM 562 O GLY A 35 -8.741 -10.391 12.439 1.00 31.44 O ATOM 0 H GLY A 35 -4.716 -11.064 13.870 1.00 71.33 H new ATOM 0 HA2 GLY A 35 -6.156 -11.791 12.320 1.00 73.34 H new ATOM 0 HA3 GLY A 35 -7.305 -12.112 13.603 1.00 73.34 H new ATOM 566 N TYR A 36 -6.989 -9.008 12.479 1.00 24.20 N ATOM 567 CA TYR A 36 -7.800 -7.858 12.019 1.00 21.43 C ATOM 568 C TYR A 36 -7.598 -7.582 10.537 1.00 72.11 C ATOM 569 O TYR A 36 -7.984 -6.518 10.055 1.00 53.23 O ATOM 570 CB TYR A 36 -7.471 -6.563 12.792 1.00 74.44 C ATOM 571 CG TYR A 36 -7.758 -6.575 14.275 1.00 63.44 C ATOM 572 CD1 TYR A 36 -6.803 -6.138 15.180 1.00 21.24 C ATOM 573 CD2 TYR A 36 -8.992 -6.984 14.770 1.00 52.24 C ATOM 574 CE1 TYR A 36 -7.067 -6.120 16.544 1.00 41.31 C ATOM 575 CE2 TYR A 36 -9.260 -6.967 16.130 1.00 72.53 C ATOM 576 CZ TYR A 36 -8.293 -6.534 17.011 1.00 25.12 C ATOM 577 OH TYR A 36 -8.549 -6.523 18.372 1.00 21.10 O ATOM 0 H TYR A 36 -6.001 -8.806 12.633 1.00 24.20 H new ATOM 0 HA TYR A 36 -8.836 -8.140 12.208 1.00 21.43 H new ATOM 0 HB2 TYR A 36 -6.414 -6.340 12.650 1.00 74.44 H new ATOM 0 HB3 TYR A 36 -8.033 -5.744 12.342 1.00 74.44 H new ATOM 0 HD1 TYR A 36 -5.840 -5.807 14.820 1.00 21.24 H new ATOM 0 HD2 TYR A 36 -9.754 -7.321 14.083 1.00 52.24 H new ATOM 0 HE1 TYR A 36 -6.311 -5.781 17.237 1.00 41.31 H new ATOM 0 HE2 TYR A 36 -10.222 -7.292 16.497 1.00 72.53 H new ATOM 0 HH TYR A 36 -9.460 -6.844 18.536 1.00 21.10 H new ATOM 587 N ASN A 37 -7.052 -8.553 9.815 1.00 65.42 N ATOM 588 CA ASN A 37 -6.669 -8.371 8.403 1.00 62.45 C ATOM 589 C ASN A 37 -5.588 -7.308 8.292 1.00 72.24 C ATOM 590 O ASN A 37 -5.882 -6.136 8.017 1.00 2.13 O ATOM 591 CB ASN A 37 -7.855 -8.028 7.456 1.00 22.20 C ATOM 592 CG ASN A 37 -8.882 -9.137 7.297 1.00 55.45 C ATOM 593 OD1 ASN A 37 -9.105 -9.944 8.194 1.00 40.03 O ATOM 594 ND2 ASN A 37 -9.518 -9.176 6.155 1.00 34.20 N ATOM 0 H ASN A 37 -6.860 -9.486 10.180 1.00 65.42 H new ATOM 0 HA ASN A 37 -6.292 -9.337 8.068 1.00 62.45 H new ATOM 0 HB2 ASN A 37 -8.358 -7.137 7.833 1.00 22.20 H new ATOM 0 HB3 ASN A 37 -7.456 -7.777 6.473 1.00 22.20 H new ATOM 0 HD21 ASN A 37 -10.224 -9.893 5.989 1.00 34.20 H new ATOM 0 HD22 ASN A 37 -9.308 -8.489 5.431 1.00 34.20 H new ATOM 601 N PRO A 38 -4.309 -7.691 8.577 1.00 62.51 N ATOM 602 CA PRO A 38 -3.160 -6.773 8.569 1.00 2.33 C ATOM 603 C PRO A 38 -3.109 -5.860 7.363 1.00 51.34 C ATOM 604 O PRO A 38 -2.837 -4.671 7.487 1.00 31.42 O ATOM 605 CB PRO A 38 -1.938 -7.716 8.560 1.00 34.15 C ATOM 606 CG PRO A 38 -2.493 -9.097 8.425 1.00 22.41 C ATOM 607 CD PRO A 38 -3.877 -9.043 8.964 1.00 23.02 C ATOM 0 HA PRO A 38 -3.207 -6.097 9.422 1.00 2.33 H new ATOM 0 HB2 PRO A 38 -1.268 -7.481 7.733 1.00 34.15 H new ATOM 0 HB3 PRO A 38 -1.359 -7.615 9.478 1.00 34.15 H new ATOM 0 HG2 PRO A 38 -2.493 -9.416 7.383 1.00 22.41 H new ATOM 0 HG3 PRO A 38 -1.888 -9.815 8.978 1.00 22.41 H new ATOM 0 HD2 PRO A 38 -4.513 -9.814 8.529 1.00 23.02 H new ATOM 0 HD3 PRO A 38 -3.899 -9.184 10.045 1.00 23.02 H new ATOM 615 N ILE A 39 -3.419 -6.405 6.219 1.00 33.25 N ATOM 616 CA ILE A 39 -3.329 -5.679 4.981 1.00 71.15 C ATOM 617 C ILE A 39 -4.347 -4.542 4.923 1.00 34.21 C ATOM 618 O ILE A 39 -3.987 -3.423 4.595 1.00 12.04 O ATOM 619 CB ILE A 39 -3.481 -6.625 3.775 1.00 11.01 C ATOM 620 CG1 ILE A 39 -2.434 -7.749 3.862 1.00 2.13 C ATOM 621 CG2 ILE A 39 -3.332 -5.861 2.467 1.00 35.14 C ATOM 622 CD1 ILE A 39 -0.992 -7.265 3.873 1.00 73.12 C ATOM 0 H ILE A 39 -3.742 -7.367 6.118 1.00 33.25 H new ATOM 0 HA ILE A 39 -2.337 -5.230 4.933 1.00 71.15 H new ATOM 0 HB ILE A 39 -4.479 -7.064 3.798 1.00 11.01 H new ATOM 0 HG12 ILE A 39 -2.616 -8.330 4.766 1.00 2.13 H new ATOM 0 HG13 ILE A 39 -2.572 -8.423 3.017 1.00 2.13 H new ATOM 0 HG21 ILE A 39 -3.443 -6.549 1.629 1.00 35.14 H new ATOM 0 HG22 ILE A 39 -4.099 -5.089 2.407 1.00 35.14 H new ATOM 0 HG23 ILE A 39 -2.347 -5.397 2.427 1.00 35.14 H new ATOM 0 HD11 ILE A 39 -0.321 -8.122 3.936 1.00 73.12 H new ATOM 0 HD12 ILE A 39 -0.787 -6.710 2.957 1.00 73.12 H new ATOM 0 HD13 ILE A 39 -0.833 -6.615 4.734 1.00 73.12 H new ATOM 634 N ASN A 40 -5.593 -4.826 5.315 1.00 25.44 N ATOM 635 CA ASN A 40 -6.667 -3.871 5.302 1.00 72.21 C ATOM 636 C ASN A 40 -6.384 -2.693 6.222 1.00 41.14 C ATOM 637 O ASN A 40 -6.717 -1.547 5.916 1.00 61.41 O ATOM 638 CB ASN A 40 -7.960 -4.593 5.690 1.00 5.43 C ATOM 639 CG ASN A 40 -9.079 -3.672 6.063 1.00 44.11 C ATOM 640 OD1 ASN A 40 -9.840 -3.204 5.224 1.00 40.53 O ATOM 641 ND2 ASN A 40 -9.224 -3.453 7.334 1.00 44.01 N ATOM 0 H ASN A 40 -5.872 -5.747 5.653 1.00 25.44 H new ATOM 0 HA ASN A 40 -6.769 -3.453 4.300 1.00 72.21 H new ATOM 0 HB2 ASN A 40 -8.280 -5.219 4.857 1.00 5.43 H new ATOM 0 HB3 ASN A 40 -7.755 -5.259 6.528 1.00 5.43 H new ATOM 0 HD21 ASN A 40 -9.994 -2.872 7.667 1.00 44.01 H new ATOM 0 HD22 ASN A 40 -8.568 -3.861 8.000 1.00 44.01 H new ATOM 648 N GLN A 41 -5.750 -2.970 7.325 1.00 42.41 N ATOM 649 CA GLN A 41 -5.436 -1.935 8.281 1.00 4.24 C ATOM 650 C GLN A 41 -4.297 -1.052 7.752 1.00 50.11 C ATOM 651 O GLN A 41 -4.337 0.174 7.884 1.00 2.21 O ATOM 652 CB GLN A 41 -5.067 -2.560 9.612 1.00 31.21 C ATOM 653 CG GLN A 41 -6.122 -3.535 10.141 1.00 21.04 C ATOM 654 CD GLN A 41 -7.468 -2.889 10.436 1.00 11.32 C ATOM 655 OE1 GLN A 41 -8.511 -3.520 10.291 1.00 34.42 O ATOM 656 NE2 GLN A 41 -7.456 -1.677 10.917 1.00 34.14 N ATOM 0 H GLN A 41 -5.438 -3.904 7.589 1.00 42.41 H new ATOM 0 HA GLN A 41 -6.312 -1.303 8.428 1.00 4.24 H new ATOM 0 HB2 GLN A 41 -4.118 -3.086 9.507 1.00 31.21 H new ATOM 0 HB3 GLN A 41 -4.914 -1.769 10.346 1.00 31.21 H new ATOM 0 HG2 GLN A 41 -6.265 -4.331 9.411 1.00 21.04 H new ATOM 0 HG3 GLN A 41 -5.747 -4.001 11.052 1.00 21.04 H new ATOM 0 HE21 GLN A 41 -6.572 -1.180 11.025 1.00 34.14 H new ATOM 0 HE22 GLN A 41 -8.331 -1.226 11.185 1.00 34.14 H new ATOM 665 N ILE A 42 -3.297 -1.683 7.132 1.00 33.11 N ATOM 666 CA ILE A 42 -2.165 -0.954 6.564 1.00 30.22 C ATOM 667 C ILE A 42 -2.615 -0.099 5.377 1.00 23.52 C ATOM 668 O ILE A 42 -2.353 1.110 5.343 1.00 13.04 O ATOM 669 CB ILE A 42 -1.005 -1.902 6.131 1.00 13.50 C ATOM 670 CG1 ILE A 42 -0.468 -2.678 7.346 1.00 51.43 C ATOM 671 CG2 ILE A 42 0.122 -1.105 5.469 1.00 61.35 C ATOM 672 CD1 ILE A 42 0.628 -3.679 7.017 1.00 24.45 C ATOM 0 H ILE A 42 -3.250 -2.695 7.012 1.00 33.11 H new ATOM 0 HA ILE A 42 -1.780 -0.305 7.351 1.00 30.22 H new ATOM 0 HB ILE A 42 -1.395 -2.615 5.405 1.00 13.50 H new ATOM 0 HG12 ILE A 42 -0.085 -1.965 8.077 1.00 51.43 H new ATOM 0 HG13 ILE A 42 -1.296 -3.206 7.819 1.00 51.43 H new ATOM 0 HG21 ILE A 42 0.922 -1.783 5.174 1.00 61.35 H new ATOM 0 HG22 ILE A 42 -0.264 -0.593 4.587 1.00 61.35 H new ATOM 0 HG23 ILE A 42 0.511 -0.370 6.174 1.00 61.35 H new ATOM 0 HD11 ILE A 42 0.948 -4.181 7.930 1.00 24.45 H new ATOM 0 HD12 ILE A 42 0.247 -4.417 6.312 1.00 24.45 H new ATOM 0 HD13 ILE A 42 1.476 -3.157 6.573 1.00 24.45 H new ATOM 684 N VAL A 43 -3.323 -0.720 4.423 1.00 5.14 N ATOM 685 CA VAL A 43 -3.827 0.002 3.253 1.00 5.35 C ATOM 686 C VAL A 43 -4.768 1.128 3.696 1.00 65.05 C ATOM 687 O VAL A 43 -4.735 2.218 3.150 1.00 31.21 O ATOM 688 CB VAL A 43 -4.528 -0.942 2.188 1.00 70.13 C ATOM 689 CG1 VAL A 43 -5.699 -1.692 2.782 1.00 53.33 C ATOM 690 CG2 VAL A 43 -5.009 -0.152 0.994 1.00 64.42 C ATOM 0 H VAL A 43 -3.557 -1.713 4.440 1.00 5.14 H new ATOM 0 HA VAL A 43 -2.963 0.432 2.747 1.00 5.35 H new ATOM 0 HB VAL A 43 -3.774 -1.663 1.871 1.00 70.13 H new ATOM 0 HG11 VAL A 43 -6.150 -2.326 2.019 1.00 53.33 H new ATOM 0 HG12 VAL A 43 -5.353 -2.311 3.610 1.00 53.33 H new ATOM 0 HG13 VAL A 43 -6.440 -0.980 3.146 1.00 53.33 H new ATOM 0 HG21 VAL A 43 -5.485 -0.825 0.281 1.00 64.42 H new ATOM 0 HG22 VAL A 43 -5.728 0.599 1.320 1.00 64.42 H new ATOM 0 HG23 VAL A 43 -4.161 0.340 0.518 1.00 64.42 H new ATOM 700 N GLY A 44 -5.553 0.861 4.729 1.00 1.45 N ATOM 701 CA GLY A 44 -6.464 1.848 5.261 1.00 61.53 C ATOM 702 C GLY A 44 -5.729 3.047 5.815 1.00 64.13 C ATOM 703 O GLY A 44 -6.107 4.197 5.555 1.00 13.12 O ATOM 0 H GLY A 44 -5.573 -0.037 5.213 1.00 1.45 H new ATOM 0 HA2 GLY A 44 -7.149 2.171 4.477 1.00 61.53 H new ATOM 0 HA3 GLY A 44 -7.070 1.398 6.047 1.00 61.53 H new ATOM 707 N TYR A 45 -4.670 2.786 6.579 1.00 12.14 N ATOM 708 CA TYR A 45 -3.840 3.850 7.124 1.00 22.34 C ATOM 709 C TYR A 45 -3.242 4.669 6.003 1.00 45.10 C ATOM 710 O TYR A 45 -3.256 5.885 6.038 1.00 33.33 O ATOM 711 CB TYR A 45 -2.718 3.288 8.022 1.00 3.11 C ATOM 712 CG TYR A 45 -1.729 4.346 8.508 1.00 3.13 C ATOM 713 CD1 TYR A 45 -0.510 4.532 7.867 1.00 11.42 C ATOM 714 CD2 TYR A 45 -2.020 5.154 9.593 1.00 32.14 C ATOM 715 CE1 TYR A 45 0.386 5.490 8.297 1.00 0.11 C ATOM 716 CE2 TYR A 45 -1.127 6.120 10.027 1.00 34.52 C ATOM 717 CZ TYR A 45 0.069 6.285 9.379 1.00 13.05 C ATOM 718 OH TYR A 45 0.959 7.250 9.811 1.00 32.54 O ATOM 0 H TYR A 45 -4.369 1.845 6.833 1.00 12.14 H new ATOM 0 HA TYR A 45 -4.476 4.487 7.739 1.00 22.34 H new ATOM 0 HB2 TYR A 45 -3.168 2.800 8.887 1.00 3.11 H new ATOM 0 HB3 TYR A 45 -2.174 2.521 7.471 1.00 3.11 H new ATOM 0 HD1 TYR A 45 -0.259 3.915 7.017 1.00 11.42 H new ATOM 0 HD2 TYR A 45 -2.960 5.029 10.110 1.00 32.14 H new ATOM 0 HE1 TYR A 45 1.331 5.617 7.789 1.00 0.11 H new ATOM 0 HE2 TYR A 45 -1.373 6.742 10.875 1.00 34.52 H new ATOM 0 HH TYR A 45 1.250 7.792 9.048 1.00 32.54 H new ATOM 728 N LEU A 46 -2.739 3.997 5.016 1.00 4.22 N ATOM 729 CA LEU A 46 -2.116 4.641 3.896 1.00 60.05 C ATOM 730 C LEU A 46 -3.122 5.411 3.030 1.00 53.35 C ATOM 731 O LEU A 46 -2.811 6.474 2.506 1.00 22.43 O ATOM 732 CB LEU A 46 -1.314 3.624 3.110 1.00 41.35 C ATOM 733 CG LEU A 46 -0.188 2.960 3.917 1.00 25.43 C ATOM 734 CD1 LEU A 46 0.473 1.861 3.133 1.00 43.13 C ATOM 735 CD2 LEU A 46 0.838 3.992 4.353 1.00 10.04 C ATOM 0 H LEU A 46 -2.748 2.978 4.961 1.00 4.22 H new ATOM 0 HA LEU A 46 -1.428 5.400 4.267 1.00 60.05 H new ATOM 0 HB2 LEU A 46 -1.988 2.851 2.741 1.00 41.35 H new ATOM 0 HB3 LEU A 46 -0.882 4.113 2.237 1.00 41.35 H new ATOM 0 HG LEU A 46 -0.635 2.515 4.806 1.00 25.43 H new ATOM 0 HD11 LEU A 46 1.265 1.412 3.732 1.00 43.13 H new ATOM 0 HD12 LEU A 46 -0.265 1.100 2.879 1.00 43.13 H new ATOM 0 HD13 LEU A 46 0.899 2.272 2.218 1.00 43.13 H new ATOM 0 HD21 LEU A 46 1.627 3.502 4.923 1.00 10.04 H new ATOM 0 HD22 LEU A 46 1.269 4.470 3.474 1.00 10.04 H new ATOM 0 HD23 LEU A 46 0.355 4.745 4.975 1.00 10.04 H new ATOM 747 N LEU A 47 -4.320 4.894 2.896 1.00 13.23 N ATOM 748 CA LEU A 47 -5.341 5.574 2.118 1.00 2.23 C ATOM 749 C LEU A 47 -5.920 6.785 2.840 1.00 33.32 C ATOM 750 O LEU A 47 -6.260 7.764 2.195 1.00 44.42 O ATOM 751 CB LEU A 47 -6.476 4.631 1.690 1.00 63.41 C ATOM 752 CG LEU A 47 -6.104 3.479 0.748 1.00 74.33 C ATOM 753 CD1 LEU A 47 -7.334 2.654 0.403 1.00 62.24 C ATOM 754 CD2 LEU A 47 -5.440 4.000 -0.516 1.00 10.42 C ATOM 0 H LEU A 47 -4.616 4.010 3.311 1.00 13.23 H new ATOM 0 HA LEU A 47 -4.831 5.927 1.222 1.00 2.23 H new ATOM 0 HB2 LEU A 47 -6.919 4.204 2.590 1.00 63.41 H new ATOM 0 HB3 LEU A 47 -7.249 5.228 1.206 1.00 63.41 H new ATOM 0 HG LEU A 47 -5.390 2.838 1.265 1.00 74.33 H new ATOM 0 HD11 LEU A 47 -7.051 1.841 -0.266 1.00 62.24 H new ATOM 0 HD12 LEU A 47 -7.762 2.240 1.316 1.00 62.24 H new ATOM 0 HD13 LEU A 47 -8.072 3.288 -0.088 1.00 62.24 H new ATOM 0 HD21 LEU A 47 -5.187 3.162 -1.166 1.00 10.42 H new ATOM 0 HD22 LEU A 47 -6.124 4.669 -1.037 1.00 10.42 H new ATOM 0 HD23 LEU A 47 -4.532 4.542 -0.253 1.00 10.42 H new ATOM 766 N SER A 48 -6.010 6.738 4.163 1.00 71.35 N ATOM 767 CA SER A 48 -6.669 7.823 4.893 1.00 71.40 C ATOM 768 C SER A 48 -5.695 8.722 5.717 1.00 23.03 C ATOM 769 O SER A 48 -5.992 9.894 5.960 1.00 64.53 O ATOM 770 CB SER A 48 -7.785 7.242 5.789 1.00 54.43 C ATOM 771 OG SER A 48 -8.577 8.263 6.394 1.00 4.11 O ATOM 0 H SER A 48 -5.647 5.983 4.744 1.00 71.35 H new ATOM 0 HA SER A 48 -7.101 8.487 4.144 1.00 71.40 H new ATOM 0 HB2 SER A 48 -8.426 6.593 5.193 1.00 54.43 H new ATOM 0 HB3 SER A 48 -7.339 6.622 6.567 1.00 54.43 H new ATOM 0 HG SER A 48 -9.271 7.852 6.950 1.00 4.11 H new ATOM 777 N GLY A 49 -4.529 8.204 6.100 1.00 50.13 N ATOM 778 CA GLY A 49 -3.619 8.966 6.933 1.00 44.15 C ATOM 779 C GLY A 49 -4.083 9.097 8.388 1.00 54.32 C ATOM 780 O GLY A 49 -3.996 10.182 8.971 1.00 12.22 O ATOM 0 H GLY A 49 -4.201 7.272 5.848 1.00 50.13 H new ATOM 0 HA2 GLY A 49 -2.638 8.491 6.915 1.00 44.15 H new ATOM 0 HA3 GLY A 49 -3.498 9.962 6.508 1.00 44.15 H new ATOM 784 N ASP A 50 -4.586 8.014 8.977 1.00 5.31 N ATOM 785 CA ASP A 50 -5.024 8.070 10.381 1.00 65.41 C ATOM 786 C ASP A 50 -4.510 6.851 11.161 1.00 25.03 C ATOM 787 O ASP A 50 -4.829 5.705 10.822 1.00 24.53 O ATOM 788 CB ASP A 50 -6.553 8.165 10.510 1.00 73.25 C ATOM 789 CG ASP A 50 -6.996 8.435 11.952 1.00 72.03 C ATOM 790 OD1 ASP A 50 -7.457 9.566 12.253 1.00 54.34 O ATOM 791 OD2 ASP A 50 -6.872 7.549 12.810 1.00 22.44 O ATOM 0 H ASP A 50 -4.701 7.107 8.524 1.00 5.31 H new ATOM 0 HA ASP A 50 -4.597 8.978 10.808 1.00 65.41 H new ATOM 0 HB2 ASP A 50 -6.922 8.961 9.863 1.00 73.25 H new ATOM 0 HB3 ASP A 50 -7.004 7.236 10.161 1.00 73.25 H new ATOM 796 N PRO A 51 -3.691 7.099 12.203 1.00 2.13 N ATOM 797 CA PRO A 51 -3.080 6.057 13.069 1.00 35.23 C ATOM 798 C PRO A 51 -4.056 5.022 13.685 1.00 14.31 C ATOM 799 O PRO A 51 -3.631 3.914 14.041 1.00 3.11 O ATOM 800 CB PRO A 51 -2.397 6.865 14.172 1.00 15.12 C ATOM 801 CG PRO A 51 -2.111 8.177 13.546 1.00 25.34 C ATOM 802 CD PRO A 51 -3.248 8.452 12.614 1.00 2.21 C ATOM 0 HA PRO A 51 -2.418 5.430 12.471 1.00 35.23 H new ATOM 0 HB2 PRO A 51 -3.043 6.973 15.043 1.00 15.12 H new ATOM 0 HB3 PRO A 51 -1.482 6.379 14.512 1.00 15.12 H new ATOM 0 HG2 PRO A 51 -2.029 8.959 14.301 1.00 25.34 H new ATOM 0 HG3 PRO A 51 -1.164 8.153 13.008 1.00 25.34 H new ATOM 0 HD2 PRO A 51 -4.048 9.004 13.108 1.00 2.21 H new ATOM 0 HD3 PRO A 51 -2.931 9.048 11.758 1.00 2.21 H new ATOM 810 N ALA A 52 -5.349 5.376 13.823 1.00 64.43 N ATOM 811 CA ALA A 52 -6.349 4.498 14.488 1.00 4.42 C ATOM 812 C ALA A 52 -6.505 3.132 13.801 1.00 25.33 C ATOM 813 O ALA A 52 -7.110 2.207 14.360 1.00 33.21 O ATOM 814 CB ALA A 52 -7.697 5.190 14.619 1.00 71.21 C ATOM 0 H ALA A 52 -5.731 6.260 13.486 1.00 64.43 H new ATOM 0 HA ALA A 52 -5.959 4.305 15.487 1.00 4.42 H new ATOM 0 HB1 ALA A 52 -8.404 4.520 15.109 1.00 71.21 H new ATOM 0 HB2 ALA A 52 -7.584 6.097 15.213 1.00 71.21 H new ATOM 0 HB3 ALA A 52 -8.070 5.450 13.628 1.00 71.21 H new ATOM 820 N TYR A 53 -5.965 3.011 12.606 1.00 34.32 N ATOM 821 CA TYR A 53 -5.966 1.759 11.883 1.00 13.33 C ATOM 822 C TYR A 53 -5.114 0.682 12.533 1.00 3.22 C ATOM 823 O TYR A 53 -5.280 -0.498 12.233 1.00 60.42 O ATOM 824 CB TYR A 53 -5.525 1.956 10.452 1.00 75.23 C ATOM 825 CG TYR A 53 -6.628 2.416 9.574 1.00 31.43 C ATOM 826 CD1 TYR A 53 -7.499 1.489 9.057 1.00 73.50 C ATOM 827 CD2 TYR A 53 -6.812 3.746 9.255 1.00 24.25 C ATOM 828 CE1 TYR A 53 -8.520 1.850 8.246 1.00 50.54 C ATOM 829 CE2 TYR A 53 -7.848 4.130 8.432 1.00 51.12 C ATOM 830 CZ TYR A 53 -8.700 3.170 7.926 1.00 72.42 C ATOM 831 OH TYR A 53 -9.729 3.528 7.097 1.00 52.53 O ATOM 0 H TYR A 53 -5.513 3.779 12.110 1.00 34.32 H new ATOM 0 HA TYR A 53 -6.999 1.411 11.907 1.00 13.33 H new ATOM 0 HB2 TYR A 53 -4.714 2.684 10.422 1.00 75.23 H new ATOM 0 HB3 TYR A 53 -5.125 1.018 10.066 1.00 75.23 H new ATOM 0 HD1 TYR A 53 -7.366 0.446 9.304 1.00 73.50 H new ATOM 0 HD2 TYR A 53 -6.139 4.491 9.653 1.00 24.25 H new ATOM 0 HE1 TYR A 53 -9.191 1.101 7.852 1.00 50.54 H new ATOM 0 HE2 TYR A 53 -7.992 5.172 8.186 1.00 51.12 H new ATOM 0 HH TYR A 53 -9.722 4.499 6.968 1.00 52.53 H new ATOM 841 N ILE A 54 -4.200 1.068 13.401 1.00 24.32 N ATOM 842 CA ILE A 54 -3.331 0.095 14.026 1.00 3.34 C ATOM 843 C ILE A 54 -3.571 0.067 15.548 1.00 22.44 C ATOM 844 O ILE A 54 -3.302 1.052 16.242 1.00 51.32 O ATOM 845 CB ILE A 54 -1.829 0.388 13.737 1.00 73.11 C ATOM 846 CG1 ILE A 54 -1.587 0.614 12.223 1.00 63.44 C ATOM 847 CG2 ILE A 54 -0.956 -0.766 14.240 1.00 53.22 C ATOM 848 CD1 ILE A 54 -1.993 -0.543 11.328 1.00 12.04 C ATOM 0 H ILE A 54 -4.042 2.035 13.686 1.00 24.32 H new ATOM 0 HA ILE A 54 -3.571 -0.878 13.599 1.00 3.34 H new ATOM 0 HB ILE A 54 -1.556 1.300 14.268 1.00 73.11 H new ATOM 0 HG12 ILE A 54 -2.135 1.504 11.912 1.00 63.44 H new ATOM 0 HG13 ILE A 54 -0.528 0.820 12.067 1.00 63.44 H new ATOM 0 HG21 ILE A 54 0.091 -0.548 14.031 1.00 53.22 H new ATOM 0 HG22 ILE A 54 -1.095 -0.886 15.315 1.00 53.22 H new ATOM 0 HG23 ILE A 54 -1.243 -1.687 13.733 1.00 53.22 H new ATOM 0 HD11 ILE A 54 -1.785 -0.289 10.289 1.00 12.04 H new ATOM 0 HD12 ILE A 54 -1.427 -1.433 11.605 1.00 12.04 H new ATOM 0 HD13 ILE A 54 -3.059 -0.739 11.447 1.00 12.04 H new ATOM 860 N PRO A 55 -4.111 -1.052 16.068 1.00 32.14 N ATOM 861 CA PRO A 55 -4.394 -1.227 17.504 1.00 22.12 C ATOM 862 C PRO A 55 -3.130 -1.510 18.336 1.00 72.33 C ATOM 863 O PRO A 55 -2.069 -1.876 17.796 1.00 52.43 O ATOM 864 CB PRO A 55 -5.312 -2.442 17.533 1.00 31.51 C ATOM 865 CG PRO A 55 -4.936 -3.227 16.331 1.00 3.50 C ATOM 866 CD PRO A 55 -4.503 -2.236 15.290 1.00 30.43 C ATOM 0 HA PRO A 55 -4.823 -0.324 17.938 1.00 22.12 H new ATOM 0 HB2 PRO A 55 -5.172 -3.023 18.445 1.00 31.51 H new ATOM 0 HB3 PRO A 55 -6.361 -2.147 17.501 1.00 31.51 H new ATOM 0 HG2 PRO A 55 -4.131 -3.925 16.560 1.00 3.50 H new ATOM 0 HG3 PRO A 55 -5.779 -3.819 15.975 1.00 3.50 H new ATOM 0 HD2 PRO A 55 -3.672 -2.617 14.697 1.00 30.43 H new ATOM 0 HD3 PRO A 55 -5.311 -2.008 14.595 1.00 30.43 H new ATOM 874 N ARG A 56 -3.237 -1.351 19.645 1.00 43.40 N ATOM 875 CA ARG A 56 -2.106 -1.564 20.512 1.00 70.34 C ATOM 876 C ARG A 56 -1.895 -3.036 20.869 1.00 21.33 C ATOM 877 O ARG A 56 -2.491 -3.563 21.811 1.00 53.13 O ATOM 878 CB ARG A 56 -2.176 -0.715 21.791 1.00 41.04 C ATOM 879 CG ARG A 56 -0.940 -0.868 22.675 1.00 41.44 C ATOM 880 CD ARG A 56 -1.031 -0.044 23.942 1.00 63.02 C ATOM 881 NE ARG A 56 0.195 -0.162 24.738 1.00 1.52 N ATOM 882 CZ ARG A 56 0.513 0.588 25.796 1.00 33.01 C ATOM 883 NH1 ARG A 56 -0.333 1.496 26.262 1.00 31.15 N ATOM 884 NH2 ARG A 56 1.682 0.414 26.392 1.00 73.01 N ATOM 0 H ARG A 56 -4.095 -1.076 20.123 1.00 43.40 H new ATOM 0 HA ARG A 56 -1.242 -1.237 19.933 1.00 70.34 H new ATOM 0 HB2 ARG A 56 -2.294 0.334 21.519 1.00 41.04 H new ATOM 0 HB3 ARG A 56 -3.061 -0.998 22.361 1.00 41.04 H new ATOM 0 HG2 ARG A 56 -0.811 -1.918 22.936 1.00 41.44 H new ATOM 0 HG3 ARG A 56 -0.055 -0.569 22.113 1.00 41.44 H new ATOM 0 HD2 ARG A 56 -1.204 1.002 23.688 1.00 63.02 H new ATOM 0 HD3 ARG A 56 -1.885 -0.374 24.533 1.00 63.02 H new ATOM 0 HE ARG A 56 0.864 -0.880 24.459 1.00 1.52 H new ATOM 0 HH11 ARG A 56 -1.239 1.628 25.812 1.00 31.15 H new ATOM 0 HH12 ARG A 56 -0.078 2.063 27.071 1.00 31.15 H new ATOM 0 HH21 ARG A 56 2.333 -0.289 26.043 1.00 73.01 H new ATOM 0 HH22 ARG A 56 1.932 0.983 27.201 1.00 73.01 H new ATOM 898 N TYR A 57 -1.118 -3.698 20.065 1.00 35.43 N ATOM 899 CA TYR A 57 -0.624 -5.029 20.391 1.00 40.12 C ATOM 900 C TYR A 57 0.859 -4.943 20.673 1.00 63.00 C ATOM 901 O TYR A 57 1.382 -5.584 21.588 1.00 11.05 O ATOM 902 CB TYR A 57 -0.891 -6.029 19.246 1.00 0.53 C ATOM 903 CG TYR A 57 -0.173 -7.372 19.409 1.00 72.45 C ATOM 904 CD1 TYR A 57 -0.611 -8.331 20.312 1.00 44.02 C ATOM 905 CD2 TYR A 57 0.949 -7.665 18.645 1.00 73.11 C ATOM 906 CE1 TYR A 57 0.053 -9.540 20.447 1.00 21.12 C ATOM 907 CE2 TYR A 57 1.613 -8.863 18.773 1.00 73.45 C ATOM 908 CZ TYR A 57 1.165 -9.799 19.673 1.00 32.32 C ATOM 909 OH TYR A 57 1.841 -10.997 19.805 1.00 24.40 O ATOM 0 H TYR A 57 -0.801 -3.343 19.163 1.00 35.43 H new ATOM 0 HA TYR A 57 -1.154 -5.394 21.271 1.00 40.12 H new ATOM 0 HB2 TYR A 57 -1.964 -6.209 19.178 1.00 0.53 H new ATOM 0 HB3 TYR A 57 -0.583 -5.576 18.303 1.00 0.53 H new ATOM 0 HD1 TYR A 57 -1.482 -8.132 20.918 1.00 44.02 H new ATOM 0 HD2 TYR A 57 1.309 -6.936 17.934 1.00 73.11 H new ATOM 0 HE1 TYR A 57 -0.299 -10.276 21.155 1.00 21.12 H new ATOM 0 HE2 TYR A 57 2.484 -9.067 18.168 1.00 73.45 H new ATOM 0 HH TYR A 57 2.599 -11.015 19.184 1.00 24.40 H new ATOM 919 N GLN A 58 1.516 -4.122 19.909 1.00 50.25 N ATOM 920 CA GLN A 58 2.927 -3.963 19.977 1.00 54.03 C ATOM 921 C GLN A 58 3.199 -2.511 19.549 1.00 0.43 C ATOM 922 O GLN A 58 2.251 -1.815 19.127 1.00 3.14 O ATOM 923 CB GLN A 58 3.562 -5.063 19.037 1.00 71.22 C ATOM 924 CG GLN A 58 5.094 -5.272 19.062 1.00 50.12 C ATOM 925 CD GLN A 58 5.880 -4.241 18.301 1.00 60.41 C ATOM 926 OE1 GLN A 58 5.403 -3.690 17.329 1.00 42.15 O ATOM 927 NE2 GLN A 58 7.081 -3.969 18.739 1.00 61.42 N ATOM 0 H GLN A 58 1.069 -3.533 19.206 1.00 50.25 H new ATOM 0 HA GLN A 58 3.370 -4.109 20.962 1.00 54.03 H new ATOM 0 HB2 GLN A 58 3.095 -6.017 19.283 1.00 71.22 H new ATOM 0 HB3 GLN A 58 3.278 -4.824 18.012 1.00 71.22 H new ATOM 0 HG2 GLN A 58 5.430 -5.273 20.099 1.00 50.12 H new ATOM 0 HG3 GLN A 58 5.320 -6.257 18.653 1.00 50.12 H new ATOM 0 HE21 GLN A 58 7.447 -4.453 19.559 1.00 61.42 H new ATOM 0 HE22 GLN A 58 7.653 -3.273 18.261 1.00 61.42 H new ATOM 936 N ASP A 59 4.437 -2.057 19.663 1.00 3.24 N ATOM 937 CA ASP A 59 4.862 -0.673 19.314 1.00 2.00 C ATOM 938 C ASP A 59 4.518 -0.285 17.874 1.00 72.50 C ATOM 939 O ASP A 59 4.643 0.860 17.516 1.00 13.52 O ATOM 940 CB ASP A 59 6.370 -0.475 19.502 1.00 63.21 C ATOM 941 CG ASP A 59 6.869 -0.814 20.881 1.00 33.13 C ATOM 942 OD1 ASP A 59 7.358 -1.936 21.080 1.00 55.32 O ATOM 943 OD2 ASP A 59 6.785 0.036 21.787 1.00 12.22 O ATOM 0 H ASP A 59 5.204 -2.636 20.005 1.00 3.24 H new ATOM 0 HA ASP A 59 4.306 -0.032 19.999 1.00 2.00 H new ATOM 0 HB2 ASP A 59 6.899 -1.090 18.775 1.00 63.21 H new ATOM 0 HB3 ASP A 59 6.619 0.563 19.283 1.00 63.21 H new ATOM 948 N ALA A 60 4.115 -1.256 17.065 1.00 1.21 N ATOM 949 CA ALA A 60 3.820 -1.087 15.642 1.00 43.12 C ATOM 950 C ALA A 60 2.919 0.117 15.339 1.00 42.04 C ATOM 951 O ALA A 60 3.123 0.788 14.331 1.00 43.13 O ATOM 952 CB ALA A 60 3.190 -2.355 15.101 1.00 20.22 C ATOM 0 H ALA A 60 3.979 -2.214 17.388 1.00 1.21 H new ATOM 0 HA ALA A 60 4.770 -0.889 15.146 1.00 43.12 H new ATOM 0 HB1 ALA A 60 2.970 -2.229 14.041 1.00 20.22 H new ATOM 0 HB2 ALA A 60 3.880 -3.189 15.232 1.00 20.22 H new ATOM 0 HB3 ALA A 60 2.266 -2.561 15.641 1.00 20.22 H new ATOM 958 N ARG A 61 1.951 0.407 16.211 1.00 73.42 N ATOM 959 CA ARG A 61 1.084 1.575 16.004 1.00 1.23 C ATOM 960 C ARG A 61 1.892 2.872 16.103 1.00 23.13 C ATOM 961 O ARG A 61 1.620 3.840 15.421 1.00 1.23 O ATOM 962 CB ARG A 61 -0.109 1.588 16.974 1.00 62.03 C ATOM 963 CG ARG A 61 0.264 1.609 18.441 1.00 73.31 C ATOM 964 CD ARG A 61 -0.971 1.638 19.326 1.00 23.35 C ATOM 965 NE ARG A 61 -1.795 2.829 19.112 1.00 11.33 N ATOM 966 CZ ARG A 61 -2.244 3.643 20.084 1.00 34.14 C ATOM 967 NH1 ARG A 61 -1.824 3.493 21.342 1.00 74.31 N ATOM 968 NH2 ARG A 61 -3.079 4.624 19.780 1.00 41.21 N ATOM 0 H ARG A 61 1.748 -0.136 17.050 1.00 73.42 H new ATOM 0 HA ARG A 61 0.672 1.502 14.997 1.00 1.23 H new ATOM 0 HB2 ARG A 61 -0.725 2.461 16.758 1.00 62.03 H new ATOM 0 HB3 ARG A 61 -0.724 0.709 16.783 1.00 62.03 H new ATOM 0 HG2 ARG A 61 0.863 0.730 18.678 1.00 73.31 H new ATOM 0 HG3 ARG A 61 0.883 2.482 18.648 1.00 73.31 H new ATOM 0 HD2 ARG A 61 -1.570 0.748 19.135 1.00 23.35 H new ATOM 0 HD3 ARG A 61 -0.664 1.597 20.371 1.00 23.35 H new ATOM 0 HE ARG A 61 -2.048 3.059 18.151 1.00 11.33 H new ATOM 0 HH11 ARG A 61 -1.157 2.756 21.573 1.00 74.31 H new ATOM 0 HH12 ARG A 61 -2.170 4.115 22.073 1.00 74.31 H new ATOM 0 HH21 ARG A 61 -3.378 4.759 18.814 1.00 41.21 H new ATOM 0 HH22 ARG A 61 -3.424 5.245 20.512 1.00 41.21 H new ATOM 982 N ASN A 62 2.878 2.860 16.967 1.00 5.35 N ATOM 983 CA ASN A 62 3.784 3.980 17.146 1.00 11.31 C ATOM 984 C ASN A 62 4.778 4.006 15.994 1.00 50.23 C ATOM 985 O ASN A 62 5.054 5.044 15.430 1.00 75.41 O ATOM 986 CB ASN A 62 4.552 3.828 18.472 1.00 2.43 C ATOM 987 CG ASN A 62 5.452 5.011 18.780 1.00 11.41 C ATOM 988 OD1 ASN A 62 6.623 5.035 18.402 1.00 2.11 O ATOM 989 ND2 ASN A 62 4.919 5.989 19.470 1.00 71.23 N ATOM 0 H ASN A 62 3.080 2.066 17.575 1.00 5.35 H new ATOM 0 HA ASN A 62 3.211 4.907 17.167 1.00 11.31 H new ATOM 0 HB2 ASN A 62 3.838 3.701 19.286 1.00 2.43 H new ATOM 0 HB3 ASN A 62 5.155 2.921 18.433 1.00 2.43 H new ATOM 0 HD21 ASN A 62 5.479 6.807 19.712 1.00 71.23 H new ATOM 0 HD22 ASN A 62 3.944 5.933 19.766 1.00 71.23 H new ATOM 996 N LEU A 63 5.285 2.826 15.647 1.00 3.32 N ATOM 997 CA LEU A 63 6.298 2.655 14.599 1.00 35.43 C ATOM 998 C LEU A 63 5.803 3.146 13.255 1.00 51.41 C ATOM 999 O LEU A 63 6.517 3.854 12.538 1.00 44.11 O ATOM 1000 CB LEU A 63 6.718 1.185 14.478 1.00 45.10 C ATOM 1001 CG LEU A 63 7.265 0.527 15.745 1.00 30.32 C ATOM 1002 CD1 LEU A 63 7.680 -0.908 15.470 1.00 63.12 C ATOM 1003 CD2 LEU A 63 8.417 1.324 16.316 1.00 53.45 C ATOM 0 H LEU A 63 5.004 1.950 16.088 1.00 3.32 H new ATOM 0 HA LEU A 63 7.160 3.255 14.892 1.00 35.43 H new ATOM 0 HB2 LEU A 63 5.856 0.610 14.140 1.00 45.10 H new ATOM 0 HB3 LEU A 63 7.477 1.110 13.699 1.00 45.10 H new ATOM 0 HG LEU A 63 6.468 0.512 16.489 1.00 30.32 H new ATOM 0 HD11 LEU A 63 8.066 -1.357 16.385 1.00 63.12 H new ATOM 0 HD12 LEU A 63 6.817 -1.476 15.123 1.00 63.12 H new ATOM 0 HD13 LEU A 63 8.455 -0.922 14.704 1.00 63.12 H new ATOM 0 HD21 LEU A 63 8.787 0.834 17.217 1.00 53.45 H new ATOM 0 HD22 LEU A 63 9.218 1.384 15.580 1.00 53.45 H new ATOM 0 HD23 LEU A 63 8.076 2.329 16.564 1.00 53.45 H new ATOM 1015 N ILE A 64 4.572 2.796 12.920 1.00 15.31 N ATOM 1016 CA ILE A 64 3.985 3.192 11.648 1.00 14.41 C ATOM 1017 C ILE A 64 3.749 4.697 11.664 1.00 62.52 C ATOM 1018 O ILE A 64 3.804 5.369 10.640 1.00 25.44 O ATOM 1019 CB ILE A 64 2.622 2.461 11.398 1.00 0.14 C ATOM 1020 CG1 ILE A 64 2.177 2.630 9.941 1.00 34.40 C ATOM 1021 CG2 ILE A 64 1.530 3.012 12.349 1.00 44.03 C ATOM 1022 CD1 ILE A 64 0.919 1.858 9.587 1.00 20.41 C ATOM 0 H ILE A 64 3.958 2.237 13.512 1.00 15.31 H new ATOM 0 HA ILE A 64 4.672 2.917 10.848 1.00 14.41 H new ATOM 0 HB ILE A 64 2.765 1.399 11.600 1.00 0.14 H new ATOM 0 HG12 ILE A 64 2.009 3.689 9.743 1.00 34.40 H new ATOM 0 HG13 ILE A 64 2.986 2.308 9.285 1.00 34.40 H new ATOM 0 HG21 ILE A 64 0.590 2.494 12.162 1.00 44.03 H new ATOM 0 HG22 ILE A 64 1.834 2.851 13.383 1.00 44.03 H new ATOM 0 HG23 ILE A 64 1.397 4.079 12.171 1.00 44.03 H new ATOM 0 HD11 ILE A 64 0.670 2.029 8.540 1.00 20.41 H new ATOM 0 HD12 ILE A 64 1.087 0.794 9.751 1.00 20.41 H new ATOM 0 HD13 ILE A 64 0.096 2.196 10.216 1.00 20.41 H new ATOM 1034 N ARG A 65 3.571 5.207 12.865 1.00 65.35 N ATOM 1035 CA ARG A 65 3.206 6.559 13.093 1.00 72.42 C ATOM 1036 C ARG A 65 4.466 7.431 13.111 1.00 35.24 C ATOM 1037 O ARG A 65 4.403 8.661 13.203 1.00 52.43 O ATOM 1038 CB ARG A 65 2.469 6.638 14.413 1.00 60.43 C ATOM 1039 CG ARG A 65 1.657 7.855 14.550 1.00 14.41 C ATOM 1040 CD ARG A 65 1.032 7.969 15.911 1.00 24.54 C ATOM 1041 NE ARG A 65 0.110 9.104 15.969 1.00 33.22 N ATOM 1042 CZ ARG A 65 -0.812 9.285 16.912 1.00 41.14 C ATOM 1043 NH1 ARG A 65 -0.869 8.464 17.957 1.00 64.33 N ATOM 1044 NH2 ARG A 65 -1.667 10.293 16.808 1.00 72.11 N ATOM 0 H ARG A 65 3.683 4.665 13.722 1.00 65.35 H new ATOM 0 HA ARG A 65 2.555 6.923 12.299 1.00 72.42 H new ATOM 0 HB2 ARG A 65 1.824 5.765 14.515 1.00 60.43 H new ATOM 0 HB3 ARG A 65 3.191 6.597 15.228 1.00 60.43 H new ATOM 0 HG2 ARG A 65 2.281 8.729 14.364 1.00 14.41 H new ATOM 0 HG3 ARG A 65 0.874 7.855 13.791 1.00 14.41 H new ATOM 0 HD2 ARG A 65 0.498 7.049 16.148 1.00 24.54 H new ATOM 0 HD3 ARG A 65 1.811 8.089 16.664 1.00 24.54 H new ATOM 0 HE ARG A 65 0.179 9.807 15.234 1.00 33.22 H new ATOM 0 HH11 ARG A 65 -0.205 7.694 18.037 1.00 64.33 H new ATOM 0 HH12 ARG A 65 -1.576 8.605 18.678 1.00 64.33 H new ATOM 0 HH21 ARG A 65 -1.616 10.925 16.009 1.00 72.11 H new ATOM 0 HH22 ARG A 65 -2.376 10.437 17.527 1.00 72.11 H new ATOM 1058 N ARG A 66 5.614 6.769 13.026 1.00 65.41 N ATOM 1059 CA ARG A 66 6.889 7.445 12.895 1.00 61.42 C ATOM 1060 C ARG A 66 7.136 7.714 11.418 1.00 0.43 C ATOM 1061 O ARG A 66 8.170 8.229 11.007 1.00 0.14 O ATOM 1062 CB ARG A 66 8.027 6.613 13.494 1.00 70.34 C ATOM 1063 CG ARG A 66 7.881 6.353 14.982 1.00 2.31 C ATOM 1064 CD ARG A 66 9.079 5.609 15.538 1.00 52.11 C ATOM 1065 NE ARG A 66 10.320 6.380 15.379 1.00 20.32 N ATOM 1066 CZ ARG A 66 11.543 5.971 15.744 1.00 73.11 C ATOM 1067 NH1 ARG A 66 11.720 4.783 16.327 1.00 22.21 N ATOM 1068 NH2 ARG A 66 12.583 6.761 15.528 1.00 52.03 N ATOM 0 H ARG A 66 5.682 5.751 13.046 1.00 65.41 H new ATOM 0 HA ARG A 66 6.860 8.385 13.447 1.00 61.42 H new ATOM 0 HB2 ARG A 66 8.080 5.658 12.972 1.00 70.34 H new ATOM 0 HB3 ARG A 66 8.972 7.126 13.316 1.00 70.34 H new ATOM 0 HG2 ARG A 66 7.764 7.301 15.508 1.00 2.31 H new ATOM 0 HG3 ARG A 66 6.976 5.774 15.164 1.00 2.31 H new ATOM 0 HD2 ARG A 66 8.916 5.395 16.594 1.00 52.11 H new ATOM 0 HD3 ARG A 66 9.179 4.650 15.030 1.00 52.11 H new ATOM 0 HE ARG A 66 10.244 7.305 14.955 1.00 20.32 H new ATOM 0 HH11 ARG A 66 10.919 4.175 16.499 1.00 22.21 H new ATOM 0 HH12 ARG A 66 12.656 4.483 16.600 1.00 22.21 H new ATOM 0 HH21 ARG A 66 12.449 7.671 15.088 1.00 52.03 H new ATOM 0 HH22 ARG A 66 13.518 6.459 15.802 1.00 52.03 H new ATOM 1082 N HIS A 67 6.165 7.339 10.631 1.00 33.35 N ATOM 1083 CA HIS A 67 6.151 7.571 9.227 1.00 44.24 C ATOM 1084 C HIS A 67 4.846 8.286 8.917 1.00 5.50 C ATOM 1085 O HIS A 67 4.027 8.470 9.819 1.00 3.14 O ATOM 1086 CB HIS A 67 6.309 6.253 8.442 1.00 42.35 C ATOM 1087 CG HIS A 67 7.638 5.562 8.681 1.00 65.44 C ATOM 1088 ND1 HIS A 67 8.711 5.671 7.830 1.00 74.00 N ATOM 1089 CD2 HIS A 67 8.059 4.767 9.698 1.00 75.24 C ATOM 1090 CE1 HIS A 67 9.727 4.985 8.309 1.00 45.23 C ATOM 1091 NE2 HIS A 67 9.362 4.426 9.441 1.00 34.13 N ATOM 0 H HIS A 67 5.337 6.848 10.969 1.00 33.35 H new ATOM 0 HA HIS A 67 6.994 8.189 8.918 1.00 44.24 H new ATOM 0 HB2 HIS A 67 5.501 5.575 8.719 1.00 42.35 H new ATOM 0 HB3 HIS A 67 6.202 6.459 7.377 1.00 42.35 H new ATOM 0 HD2 HIS A 67 7.475 4.460 10.553 1.00 75.24 H new ATOM 0 HE1 HIS A 67 10.700 4.896 7.848 1.00 45.23 H new ATOM 0 HE2 HIS A 67 9.950 3.837 10.030 1.00 34.13 H new ATOM 1100 N GLU A 68 4.637 8.694 7.708 1.00 34.31 N ATOM 1101 CA GLU A 68 3.484 9.516 7.407 1.00 44.31 C ATOM 1102 C GLU A 68 2.385 8.793 6.637 1.00 4.34 C ATOM 1103 O GLU A 68 1.378 8.405 7.240 1.00 62.31 O ATOM 1104 CB GLU A 68 3.883 10.886 6.759 1.00 11.41 C ATOM 1105 CG GLU A 68 4.649 10.823 5.427 1.00 15.01 C ATOM 1106 CD GLU A 68 5.892 9.993 5.511 1.00 22.03 C ATOM 1107 OE1 GLU A 68 5.798 8.769 5.257 1.00 53.04 O ATOM 1108 OE2 GLU A 68 6.962 10.524 5.862 1.00 43.20 O ATOM 0 H GLU A 68 5.237 8.480 6.911 1.00 34.31 H new ATOM 0 HA GLU A 68 3.035 9.744 8.374 1.00 44.31 H new ATOM 0 HB2 GLU A 68 2.973 11.466 6.601 1.00 11.41 H new ATOM 0 HB3 GLU A 68 4.492 11.437 7.476 1.00 11.41 H new ATOM 0 HG2 GLU A 68 3.996 10.414 4.657 1.00 15.01 H new ATOM 0 HG3 GLU A 68 4.913 11.834 5.117 1.00 15.01 H new ATOM 1115 N ARG A 69 2.590 8.579 5.328 1.00 21.20 N ATOM 1116 CA ARG A 69 1.559 8.013 4.455 1.00 54.12 C ATOM 1117 C ARG A 69 2.045 7.886 2.990 1.00 24.30 C ATOM 1118 O ARG A 69 2.230 6.773 2.495 1.00 20.34 O ATOM 1119 CB ARG A 69 0.257 8.865 4.546 1.00 23.24 C ATOM 1120 CG ARG A 69 -0.859 8.522 3.597 1.00 51.14 C ATOM 1121 CD ARG A 69 -1.962 9.553 3.751 1.00 43.31 C ATOM 1122 NE ARG A 69 -3.105 9.340 2.863 1.00 12.22 N ATOM 1123 CZ ARG A 69 -3.847 10.345 2.350 1.00 13.31 C ATOM 1124 NH1 ARG A 69 -3.463 11.609 2.515 1.00 1.11 N ATOM 1125 NH2 ARG A 69 -4.953 10.088 1.670 1.00 65.43 N ATOM 0 H ARG A 69 3.467 8.792 4.852 1.00 21.20 H new ATOM 0 HA ARG A 69 1.342 7.002 4.801 1.00 54.12 H new ATOM 0 HB2 ARG A 69 -0.128 8.785 5.563 1.00 23.24 H new ATOM 0 HB3 ARG A 69 0.525 9.910 4.388 1.00 23.24 H new ATOM 0 HG2 ARG A 69 -0.492 8.511 2.571 1.00 51.14 H new ATOM 0 HG3 ARG A 69 -1.242 7.524 3.809 1.00 51.14 H new ATOM 0 HD2 ARG A 69 -2.311 9.545 4.784 1.00 43.31 H new ATOM 0 HD3 ARG A 69 -1.548 10.544 3.562 1.00 43.31 H new ATOM 0 HE ARG A 69 -3.355 8.382 2.618 1.00 12.22 H new ATOM 0 HH11 ARG A 69 -2.608 11.819 3.029 1.00 1.11 H new ATOM 0 HH12 ARG A 69 -4.024 12.367 2.127 1.00 1.11 H new ATOM 0 HH21 ARG A 69 -5.252 9.123 1.529 1.00 65.43 H new ATOM 0 HH22 ARG A 69 -5.506 10.855 1.287 1.00 65.43 H new ATOM 1139 N ASP A 70 2.290 9.017 2.311 1.00 52.53 N ATOM 1140 CA ASP A 70 2.621 8.955 0.857 1.00 13.45 C ATOM 1141 C ASP A 70 4.033 8.455 0.568 1.00 21.12 C ATOM 1142 O ASP A 70 4.237 7.725 -0.408 1.00 34.32 O ATOM 1143 CB ASP A 70 2.323 10.259 0.087 1.00 4.23 C ATOM 1144 CG ASP A 70 3.165 11.442 0.502 1.00 63.44 C ATOM 1145 OD1 ASP A 70 2.687 12.264 1.307 1.00 70.11 O ATOM 1146 OD2 ASP A 70 4.289 11.571 0.025 1.00 33.34 O ATOM 0 H ASP A 70 2.270 9.954 2.713 1.00 52.53 H new ATOM 0 HA ASP A 70 1.933 8.202 0.472 1.00 13.45 H new ATOM 0 HB2 ASP A 70 2.473 10.079 -0.978 1.00 4.23 H new ATOM 0 HB3 ASP A 70 1.272 10.513 0.222 1.00 4.23 H new ATOM 1151 N GLU A 71 4.998 8.824 1.416 1.00 73.05 N ATOM 1152 CA GLU A 71 6.389 8.356 1.268 1.00 40.44 C ATOM 1153 C GLU A 71 6.421 6.833 1.240 1.00 25.41 C ATOM 1154 O GLU A 71 7.082 6.218 0.391 1.00 13.11 O ATOM 1155 CB GLU A 71 7.224 8.846 2.444 1.00 11.52 C ATOM 1156 CG GLU A 71 7.356 10.356 2.559 1.00 11.32 C ATOM 1157 CD GLU A 71 8.175 10.951 1.470 1.00 72.23 C ATOM 1158 OE1 GLU A 71 7.618 11.463 0.501 1.00 0.24 O ATOM 1159 OE2 GLU A 71 9.404 10.894 1.559 1.00 74.25 O ATOM 0 H GLU A 71 4.847 9.444 2.212 1.00 73.05 H new ATOM 0 HA GLU A 71 6.797 8.749 0.337 1.00 40.44 H new ATOM 0 HB2 GLU A 71 6.784 8.465 3.365 1.00 11.52 H new ATOM 0 HB3 GLU A 71 8.222 8.415 2.365 1.00 11.52 H new ATOM 0 HG2 GLU A 71 6.363 10.804 2.546 1.00 11.32 H new ATOM 0 HG3 GLU A 71 7.805 10.604 3.521 1.00 11.32 H new ATOM 1166 N ILE A 72 5.675 6.245 2.166 1.00 50.02 N ATOM 1167 CA ILE A 72 5.544 4.807 2.296 1.00 63.43 C ATOM 1168 C ILE A 72 4.957 4.219 1.023 1.00 71.52 C ATOM 1169 O ILE A 72 5.500 3.276 0.456 1.00 3.23 O ATOM 1170 CB ILE A 72 4.591 4.447 3.473 1.00 20.21 C ATOM 1171 CG1 ILE A 72 5.098 5.031 4.798 1.00 44.44 C ATOM 1172 CG2 ILE A 72 4.410 2.930 3.586 1.00 71.30 C ATOM 1173 CD1 ILE A 72 4.175 4.770 5.973 1.00 21.44 C ATOM 0 H ILE A 72 5.136 6.766 2.858 1.00 50.02 H new ATOM 0 HA ILE A 72 6.537 4.398 2.483 1.00 63.43 H new ATOM 0 HB ILE A 72 3.620 4.893 3.259 1.00 20.21 H new ATOM 0 HG12 ILE A 72 6.079 4.611 5.018 1.00 44.44 H new ATOM 0 HG13 ILE A 72 5.230 6.107 4.683 1.00 44.44 H new ATOM 0 HG21 ILE A 72 3.740 2.704 4.416 1.00 71.30 H new ATOM 0 HG22 ILE A 72 3.984 2.544 2.660 1.00 71.30 H new ATOM 0 HG23 ILE A 72 5.378 2.460 3.763 1.00 71.30 H new ATOM 0 HD11 ILE A 72 4.599 5.212 6.874 1.00 21.44 H new ATOM 0 HD12 ILE A 72 3.200 5.215 5.775 1.00 21.44 H new ATOM 0 HD13 ILE A 72 4.062 3.695 6.115 1.00 21.44 H new ATOM 1185 N MET A 73 3.868 4.817 0.564 1.00 4.35 N ATOM 1186 CA MET A 73 3.120 4.307 -0.576 1.00 5.13 C ATOM 1187 C MET A 73 3.996 4.314 -1.841 1.00 72.05 C ATOM 1188 O MET A 73 4.056 3.315 -2.575 1.00 42.40 O ATOM 1189 CB MET A 73 1.836 5.128 -0.766 1.00 42.41 C ATOM 1190 CG MET A 73 0.754 4.460 -1.622 1.00 11.14 C ATOM 1191 SD MET A 73 1.237 4.102 -3.316 1.00 41.23 S ATOM 1192 CE MET A 73 -0.243 3.333 -3.923 1.00 21.21 C ATOM 0 H MET A 73 3.478 5.668 0.970 1.00 4.35 H new ATOM 0 HA MET A 73 2.833 3.273 -0.387 1.00 5.13 H new ATOM 0 HB2 MET A 73 1.416 5.348 0.215 1.00 42.41 H new ATOM 0 HB3 MET A 73 2.099 6.083 -1.221 1.00 42.41 H new ATOM 0 HG2 MET A 73 0.455 3.529 -1.141 1.00 11.14 H new ATOM 0 HG3 MET A 73 -0.124 5.106 -1.639 1.00 11.14 H new ATOM 0 HE1 MET A 73 -0.261 3.388 -5.011 1.00 21.21 H new ATOM 0 HE2 MET A 73 -0.264 2.289 -3.612 1.00 21.21 H new ATOM 0 HE3 MET A 73 -1.114 3.850 -3.519 1.00 21.21 H new ATOM 1202 N GLU A 74 4.702 5.416 -2.084 1.00 62.31 N ATOM 1203 CA GLU A 74 5.594 5.487 -3.238 1.00 3.20 C ATOM 1204 C GLU A 74 6.719 4.472 -3.137 1.00 32.24 C ATOM 1205 O GLU A 74 7.234 3.982 -4.149 1.00 1.54 O ATOM 1206 CB GLU A 74 6.166 6.882 -3.454 1.00 35.00 C ATOM 1207 CG GLU A 74 5.153 7.912 -3.885 1.00 61.52 C ATOM 1208 CD GLU A 74 5.790 9.241 -4.193 1.00 33.31 C ATOM 1209 OE1 GLU A 74 6.343 9.411 -5.299 1.00 14.54 O ATOM 1210 OE2 GLU A 74 5.771 10.129 -3.335 1.00 22.44 O ATOM 0 H GLU A 74 4.675 6.258 -1.509 1.00 62.31 H new ATOM 0 HA GLU A 74 4.980 5.246 -4.106 1.00 3.20 H new ATOM 0 HB2 GLU A 74 6.634 7.216 -2.528 1.00 35.00 H new ATOM 0 HB3 GLU A 74 6.952 6.826 -4.207 1.00 35.00 H new ATOM 0 HG2 GLU A 74 4.623 7.552 -4.767 1.00 61.52 H new ATOM 0 HG3 GLU A 74 4.410 8.041 -3.098 1.00 61.52 H new ATOM 1217 N GLU A 75 7.118 4.164 -1.934 1.00 31.21 N ATOM 1218 CA GLU A 75 8.150 3.192 -1.729 1.00 22.43 C ATOM 1219 C GLU A 75 7.602 1.789 -2.042 1.00 51.04 C ATOM 1220 O GLU A 75 8.301 0.953 -2.645 1.00 50.43 O ATOM 1221 CB GLU A 75 8.690 3.291 -0.311 1.00 70.52 C ATOM 1222 CG GLU A 75 10.010 2.585 -0.106 1.00 63.20 C ATOM 1223 CD GLU A 75 11.055 3.066 -1.097 1.00 32.41 C ATOM 1224 OE1 GLU A 75 11.772 2.222 -1.668 1.00 25.14 O ATOM 1225 OE2 GLU A 75 11.127 4.290 -1.374 1.00 35.13 O ATOM 0 H GLU A 75 6.741 4.575 -1.080 1.00 31.21 H new ATOM 0 HA GLU A 75 8.983 3.386 -2.405 1.00 22.43 H new ATOM 0 HB2 GLU A 75 8.808 4.343 -0.051 1.00 70.52 H new ATOM 0 HB3 GLU A 75 7.955 2.873 0.377 1.00 70.52 H new ATOM 0 HG2 GLU A 75 10.363 2.759 0.910 1.00 63.20 H new ATOM 0 HG3 GLU A 75 9.870 1.510 -0.216 1.00 63.20 H new ATOM 1232 N LEU A 76 6.330 1.563 -1.670 1.00 30.45 N ATOM 1233 CA LEU A 76 5.641 0.297 -1.935 1.00 75.55 C ATOM 1234 C LEU A 76 5.537 0.080 -3.433 1.00 43.42 C ATOM 1235 O LEU A 76 5.909 -0.986 -3.949 1.00 2.12 O ATOM 1236 CB LEU A 76 4.203 0.316 -1.376 1.00 23.22 C ATOM 1237 CG LEU A 76 4.011 0.618 0.109 1.00 4.00 C ATOM 1238 CD1 LEU A 76 2.542 0.578 0.462 1.00 70.44 C ATOM 1239 CD2 LEU A 76 4.776 -0.352 0.970 1.00 35.13 C ATOM 0 H LEU A 76 5.757 2.251 -1.181 1.00 30.45 H new ATOM 0 HA LEU A 76 6.215 -0.496 -1.455 1.00 75.55 H new ATOM 0 HB2 LEU A 76 3.635 1.054 -1.942 1.00 23.22 H new ATOM 0 HB3 LEU A 76 3.754 -0.656 -1.579 1.00 23.22 H new ATOM 0 HG LEU A 76 4.400 1.618 0.301 1.00 4.00 H new ATOM 0 HD11 LEU A 76 2.417 0.795 1.523 1.00 70.44 H new ATOM 0 HD12 LEU A 76 2.006 1.323 -0.126 1.00 70.44 H new ATOM 0 HD13 LEU A 76 2.142 -0.412 0.244 1.00 70.44 H new ATOM 0 HD21 LEU A 76 4.618 -0.109 2.021 1.00 35.13 H new ATOM 0 HD22 LEU A 76 4.426 -1.366 0.775 1.00 35.13 H new ATOM 0 HD23 LEU A 76 5.839 -0.284 0.738 1.00 35.13 H new ATOM 1251 N THR A 77 5.056 1.112 -4.133 1.00 34.14 N ATOM 1252 CA THR A 77 4.863 1.047 -5.562 1.00 52.44 C ATOM 1253 C THR A 77 6.188 0.762 -6.295 1.00 5.44 C ATOM 1254 O THR A 77 6.229 -0.054 -7.230 1.00 61.45 O ATOM 1255 CB THR A 77 4.205 2.345 -6.080 1.00 50.13 C ATOM 1256 OG1 THR A 77 2.962 2.540 -5.387 1.00 1.15 O ATOM 1257 CG2 THR A 77 3.924 2.264 -7.575 1.00 21.24 C ATOM 0 H THR A 77 4.795 2.006 -3.716 1.00 34.14 H new ATOM 0 HA THR A 77 4.190 0.216 -5.774 1.00 52.44 H new ATOM 0 HB THR A 77 4.888 3.175 -5.901 1.00 50.13 H new ATOM 0 HG1 THR A 77 3.086 3.198 -4.672 1.00 1.15 H new ATOM 0 HG21 THR A 77 3.461 3.193 -7.909 1.00 21.24 H new ATOM 0 HG22 THR A 77 4.859 2.111 -8.113 1.00 21.24 H new ATOM 0 HG23 THR A 77 3.250 1.431 -7.774 1.00 21.24 H new ATOM 1265 N LYS A 78 7.277 1.396 -5.842 1.00 71.42 N ATOM 1266 CA LYS A 78 8.571 1.164 -6.463 1.00 32.10 C ATOM 1267 C LYS A 78 9.031 -0.253 -6.300 1.00 74.44 C ATOM 1268 O LYS A 78 9.441 -0.869 -7.253 1.00 33.10 O ATOM 1269 CB LYS A 78 9.668 2.116 -5.983 1.00 44.32 C ATOM 1270 CG LYS A 78 9.453 3.555 -6.364 1.00 30.44 C ATOM 1271 CD LYS A 78 10.706 4.395 -6.122 1.00 60.12 C ATOM 1272 CE LYS A 78 11.133 4.385 -4.668 1.00 3.31 C ATOM 1273 NZ LYS A 78 10.128 5.013 -3.785 1.00 24.44 N ATOM 0 H LYS A 78 7.282 2.057 -5.065 1.00 71.42 H new ATOM 0 HA LYS A 78 8.404 1.368 -7.521 1.00 32.10 H new ATOM 0 HB2 LYS A 78 9.742 2.047 -4.898 1.00 44.32 H new ATOM 0 HB3 LYS A 78 10.623 1.784 -6.389 1.00 44.32 H new ATOM 0 HG2 LYS A 78 9.171 3.615 -7.415 1.00 30.44 H new ATOM 0 HG3 LYS A 78 8.623 3.964 -5.788 1.00 30.44 H new ATOM 0 HD2 LYS A 78 11.520 4.016 -6.740 1.00 60.12 H new ATOM 0 HD3 LYS A 78 10.519 5.422 -6.436 1.00 60.12 H new ATOM 0 HE2 LYS A 78 11.303 3.357 -4.348 1.00 3.31 H new ATOM 0 HE3 LYS A 78 12.082 4.911 -4.567 1.00 3.31 H new ATOM 0 HZ1 LYS A 78 10.431 4.923 -2.794 1.00 24.44 H new ATOM 0 HZ2 LYS A 78 10.033 6.020 -4.028 1.00 24.44 H new ATOM 0 HZ3 LYS A 78 9.211 4.539 -3.911 1.00 24.44 H new ATOM 1287 N TYR A 79 8.935 -0.771 -5.098 1.00 33.44 N ATOM 1288 CA TYR A 79 9.415 -2.122 -4.824 1.00 64.04 C ATOM 1289 C TYR A 79 8.642 -3.173 -5.625 1.00 32.03 C ATOM 1290 O TYR A 79 9.231 -4.120 -6.172 1.00 63.04 O ATOM 1291 CB TYR A 79 9.373 -2.438 -3.329 1.00 70.11 C ATOM 1292 CG TYR A 79 9.822 -3.842 -3.027 1.00 31.55 C ATOM 1293 CD1 TYR A 79 11.159 -4.183 -3.099 1.00 63.44 C ATOM 1294 CD2 TYR A 79 8.908 -4.830 -2.689 1.00 4.21 C ATOM 1295 CE1 TYR A 79 11.574 -5.467 -2.849 1.00 62.52 C ATOM 1296 CE2 TYR A 79 9.317 -6.112 -2.433 1.00 65.55 C ATOM 1297 CZ TYR A 79 10.652 -6.425 -2.517 1.00 1.33 C ATOM 1298 OH TYR A 79 11.063 -7.699 -2.282 1.00 54.40 O ATOM 0 H TYR A 79 8.533 -0.289 -4.294 1.00 33.44 H new ATOM 0 HA TYR A 79 10.455 -2.161 -5.147 1.00 64.04 H new ATOM 0 HB2 TYR A 79 10.009 -1.733 -2.793 1.00 70.11 H new ATOM 0 HB3 TYR A 79 8.358 -2.297 -2.959 1.00 70.11 H new ATOM 0 HD1 TYR A 79 11.888 -3.428 -3.356 1.00 63.44 H new ATOM 0 HD2 TYR A 79 7.858 -4.584 -2.627 1.00 4.21 H new ATOM 0 HE1 TYR A 79 12.622 -5.721 -2.914 1.00 62.52 H new ATOM 0 HE2 TYR A 79 8.596 -6.871 -2.167 1.00 65.55 H new ATOM 0 HH TYR A 79 11.275 -7.804 -1.331 1.00 54.40 H new ATOM 1308 N TYR A 80 7.343 -2.989 -5.701 1.00 11.13 N ATOM 1309 CA TYR A 80 6.459 -3.885 -6.423 1.00 31.40 C ATOM 1310 C TYR A 80 6.896 -3.966 -7.896 1.00 30.23 C ATOM 1311 O TYR A 80 7.047 -5.060 -8.475 1.00 3.45 O ATOM 1312 CB TYR A 80 5.033 -3.330 -6.313 1.00 75.12 C ATOM 1313 CG TYR A 80 3.932 -4.182 -6.907 1.00 64.24 C ATOM 1314 CD1 TYR A 80 3.272 -5.120 -6.128 1.00 71.41 C ATOM 1315 CD2 TYR A 80 3.526 -4.024 -8.226 1.00 44.54 C ATOM 1316 CE1 TYR A 80 2.244 -5.881 -6.643 1.00 23.35 C ATOM 1317 CE2 TYR A 80 2.493 -4.776 -8.746 1.00 41.32 C ATOM 1318 CZ TYR A 80 1.855 -5.704 -7.950 1.00 53.43 C ATOM 1319 OH TYR A 80 0.818 -6.447 -8.460 1.00 53.43 O ATOM 0 H TYR A 80 6.862 -2.205 -5.259 1.00 11.13 H new ATOM 0 HA TYR A 80 6.498 -4.890 -6.002 1.00 31.40 H new ATOM 0 HB2 TYR A 80 4.809 -3.169 -5.258 1.00 75.12 H new ATOM 0 HB3 TYR A 80 5.008 -2.354 -6.797 1.00 75.12 H new ATOM 0 HD1 TYR A 80 3.569 -5.257 -5.099 1.00 71.41 H new ATOM 0 HD2 TYR A 80 4.027 -3.302 -8.854 1.00 44.54 H new ATOM 0 HE1 TYR A 80 1.747 -6.612 -6.023 1.00 23.35 H new ATOM 0 HE2 TYR A 80 2.185 -4.639 -9.772 1.00 41.32 H new ATOM 0 HH TYR A 80 1.175 -7.155 -9.036 1.00 53.43 H new ATOM 1329 N LEU A 81 7.097 -2.818 -8.490 1.00 71.31 N ATOM 1330 CA LEU A 81 7.527 -2.730 -9.866 1.00 70.32 C ATOM 1331 C LEU A 81 9.004 -3.106 -10.056 1.00 51.35 C ATOM 1332 O LEU A 81 9.375 -3.646 -11.094 1.00 74.21 O ATOM 1333 CB LEU A 81 7.202 -1.356 -10.437 1.00 62.32 C ATOM 1334 CG LEU A 81 5.704 -1.014 -10.470 1.00 12.40 C ATOM 1335 CD1 LEU A 81 5.482 0.390 -10.981 1.00 3.03 C ATOM 1336 CD2 LEU A 81 4.946 -2.014 -11.332 1.00 33.30 C ATOM 0 H LEU A 81 6.967 -1.915 -8.034 1.00 71.31 H new ATOM 0 HA LEU A 81 6.965 -3.473 -10.432 1.00 70.32 H new ATOM 0 HB2 LEU A 81 7.721 -0.600 -9.847 1.00 62.32 H new ATOM 0 HB3 LEU A 81 7.597 -1.296 -11.451 1.00 62.32 H new ATOM 0 HG LEU A 81 5.323 -1.072 -9.450 1.00 12.40 H new ATOM 0 HD11 LEU A 81 4.414 0.608 -10.995 1.00 3.03 H new ATOM 0 HD12 LEU A 81 5.989 1.100 -10.327 1.00 3.03 H new ATOM 0 HD13 LEU A 81 5.883 0.477 -11.991 1.00 3.03 H new ATOM 0 HD21 LEU A 81 3.887 -1.756 -11.343 1.00 33.30 H new ATOM 0 HD22 LEU A 81 5.337 -1.987 -12.349 1.00 33.30 H new ATOM 0 HD23 LEU A 81 5.071 -3.016 -10.922 1.00 33.30 H new ATOM 1348 N ALA A 82 9.823 -2.863 -9.042 1.00 44.20 N ATOM 1349 CA ALA A 82 11.261 -3.131 -9.108 1.00 34.33 C ATOM 1350 C ALA A 82 11.555 -4.602 -9.355 1.00 22.33 C ATOM 1351 O ALA A 82 12.462 -4.943 -10.121 1.00 43.42 O ATOM 1352 CB ALA A 82 11.962 -2.655 -7.846 1.00 31.03 C ATOM 0 H ALA A 82 9.514 -2.475 -8.150 1.00 44.20 H new ATOM 0 HA ALA A 82 11.651 -2.570 -9.957 1.00 34.33 H new ATOM 0 HB1 ALA A 82 13.029 -2.866 -7.921 1.00 31.03 H new ATOM 0 HB2 ALA A 82 11.812 -1.582 -7.729 1.00 31.03 H new ATOM 0 HB3 ALA A 82 11.549 -3.176 -6.982 1.00 31.03 H new ATOM 1358 N ASN A 83 10.764 -5.481 -8.751 1.00 50.51 N ATOM 1359 CA ASN A 83 10.975 -6.927 -8.932 1.00 53.43 C ATOM 1360 C ASN A 83 10.539 -7.405 -10.319 1.00 55.33 C ATOM 1361 O ASN A 83 10.626 -8.589 -10.632 1.00 44.02 O ATOM 1362 CB ASN A 83 10.300 -7.780 -7.847 1.00 75.55 C ATOM 1363 CG ASN A 83 10.808 -7.531 -6.434 1.00 12.14 C ATOM 1364 OD1 ASN A 83 11.939 -7.087 -6.220 1.00 1.12 O ATOM 1365 ND2 ASN A 83 10.004 -7.882 -5.465 1.00 62.42 N ATOM 0 H ASN A 83 9.984 -5.233 -8.142 1.00 50.51 H new ATOM 0 HA ASN A 83 12.051 -7.069 -8.836 1.00 53.43 H new ATOM 0 HB2 ASN A 83 9.227 -7.591 -7.871 1.00 75.55 H new ATOM 0 HB3 ASN A 83 10.444 -8.833 -8.090 1.00 75.55 H new ATOM 0 HD21 ASN A 83 10.305 -7.793 -4.495 1.00 62.42 H new ATOM 0 HD22 ASN A 83 9.075 -8.245 -5.679 1.00 62.42 H new ATOM 1372 N HIS A 84 10.074 -6.474 -11.146 1.00 15.32 N ATOM 1373 CA HIS A 84 9.701 -6.759 -12.537 1.00 63.20 C ATOM 1374 C HIS A 84 10.882 -6.492 -13.458 1.00 3.22 C ATOM 1375 O HIS A 84 10.730 -6.412 -14.682 1.00 13.24 O ATOM 1376 CB HIS A 84 8.487 -5.904 -12.980 1.00 61.24 C ATOM 1377 CG HIS A 84 7.157 -6.363 -12.454 1.00 21.04 C ATOM 1378 ND1 HIS A 84 6.749 -6.230 -11.137 1.00 24.21 N ATOM 1379 CD2 HIS A 84 6.145 -6.992 -13.088 1.00 63.01 C ATOM 1380 CE1 HIS A 84 5.554 -6.767 -10.997 1.00 23.41 C ATOM 1381 NE2 HIS A 84 5.164 -7.241 -12.168 1.00 31.11 N ATOM 0 H HIS A 84 9.943 -5.499 -10.876 1.00 15.32 H new ATOM 0 HA HIS A 84 9.419 -7.810 -12.601 1.00 63.20 H new ATOM 0 HB2 HIS A 84 8.651 -4.875 -12.660 1.00 61.24 H new ATOM 0 HB3 HIS A 84 8.446 -5.896 -14.069 1.00 61.24 H new ATOM 0 HD1 HIS A 84 7.288 -5.787 -10.393 1.00 24.21 H new ATOM 0 HD2 HIS A 84 6.115 -7.252 -14.136 1.00 63.01 H new ATOM 0 HE1 HIS A 84 4.987 -6.812 -10.079 1.00 23.41 H new ATOM 1390 N GLY A 85 12.063 -6.368 -12.867 1.00 54.43 N ATOM 1391 CA GLY A 85 13.265 -6.101 -13.630 1.00 4.12 C ATOM 1392 C GLY A 85 13.335 -4.661 -14.041 1.00 71.21 C ATOM 1393 O GLY A 85 14.021 -4.299 -15.002 1.00 2.14 O ATOM 0 H GLY A 85 12.210 -6.449 -11.861 1.00 54.43 H new ATOM 0 HA2 GLY A 85 14.142 -6.355 -13.034 1.00 4.12 H new ATOM 0 HA3 GLY A 85 13.286 -6.736 -14.515 1.00 4.12 H new ATOM 1397 N ILE A 86 12.609 -3.844 -13.332 1.00 24.11 N ATOM 1398 CA ILE A 86 12.549 -2.444 -13.609 1.00 25.54 C ATOM 1399 C ILE A 86 13.439 -1.700 -12.655 1.00 4.44 C ATOM 1400 O ILE A 86 13.363 -1.896 -11.435 1.00 73.14 O ATOM 1401 CB ILE A 86 11.111 -1.891 -13.466 1.00 21.44 C ATOM 1402 CG1 ILE A 86 10.155 -2.613 -14.409 1.00 4.50 C ATOM 1403 CG2 ILE A 86 11.086 -0.389 -13.735 1.00 0.11 C ATOM 1404 CD1 ILE A 86 8.730 -2.126 -14.304 1.00 74.11 C ATOM 0 H ILE A 86 12.038 -4.137 -12.539 1.00 24.11 H new ATOM 0 HA ILE A 86 12.878 -2.302 -14.638 1.00 25.54 H new ATOM 0 HB ILE A 86 10.781 -2.068 -12.442 1.00 21.44 H new ATOM 0 HG12 ILE A 86 10.501 -2.484 -15.435 1.00 4.50 H new ATOM 0 HG13 ILE A 86 10.183 -3.681 -14.195 1.00 4.50 H new ATOM 0 HG21 ILE A 86 10.067 -0.017 -13.630 1.00 0.11 H new ATOM 0 HG22 ILE A 86 11.733 0.119 -13.020 1.00 0.11 H new ATOM 0 HG23 ILE A 86 11.440 -0.195 -14.747 1.00 0.11 H new ATOM 0 HD11 ILE A 86 8.103 -2.682 -15.002 1.00 74.11 H new ATOM 0 HD12 ILE A 86 8.367 -2.280 -13.288 1.00 74.11 H new ATOM 0 HD13 ILE A 86 8.690 -1.064 -14.546 1.00 74.11 H new ATOM 1416 N ASP A 87 14.278 -0.880 -13.190 1.00 24.23 N ATOM 1417 CA ASP A 87 15.087 -0.016 -12.378 1.00 31.14 C ATOM 1418 C ASP A 87 14.448 1.338 -12.388 1.00 63.12 C ATOM 1419 O ASP A 87 14.288 1.949 -13.450 1.00 55.21 O ATOM 1420 CB ASP A 87 16.525 0.053 -12.873 1.00 54.30 C ATOM 1421 CG ASP A 87 17.366 0.991 -12.041 1.00 43.42 C ATOM 1422 OD1 ASP A 87 17.673 0.653 -10.874 1.00 31.43 O ATOM 1423 OD2 ASP A 87 17.751 2.069 -12.551 1.00 22.32 O ATOM 0 H ASP A 87 14.427 -0.784 -14.194 1.00 24.23 H new ATOM 0 HA ASP A 87 15.139 -0.409 -11.363 1.00 31.14 H new ATOM 0 HB2 ASP A 87 16.964 -0.944 -12.850 1.00 54.30 H new ATOM 0 HB3 ASP A 87 16.535 0.382 -13.912 1.00 54.30 H new ATOM 1428 N ILE A 88 14.069 1.805 -11.245 1.00 40.10 N ATOM 1429 CA ILE A 88 13.310 3.017 -11.168 1.00 54.20 C ATOM 1430 C ILE A 88 14.186 4.193 -10.842 1.00 11.51 C ATOM 1431 O ILE A 88 14.923 4.194 -9.857 1.00 43.13 O ATOM 1432 CB ILE A 88 12.173 2.892 -10.147 1.00 41.23 C ATOM 1433 CG1 ILE A 88 11.307 1.676 -10.498 1.00 54.52 C ATOM 1434 CG2 ILE A 88 11.330 4.177 -10.101 1.00 23.42 C ATOM 1435 CD1 ILE A 88 10.190 1.405 -9.538 1.00 3.23 C ATOM 0 H ILE A 88 14.271 1.367 -10.346 1.00 40.10 H new ATOM 0 HA ILE A 88 12.870 3.189 -12.150 1.00 54.20 H new ATOM 0 HB ILE A 88 12.599 2.749 -9.154 1.00 41.23 H new ATOM 0 HG12 ILE A 88 10.886 1.822 -11.493 1.00 54.52 H new ATOM 0 HG13 ILE A 88 11.946 0.794 -10.549 1.00 54.52 H new ATOM 0 HG21 ILE A 88 10.531 4.062 -9.369 1.00 23.42 H new ATOM 0 HG22 ILE A 88 11.963 5.018 -9.817 1.00 23.42 H new ATOM 0 HG23 ILE A 88 10.898 4.364 -11.084 1.00 23.42 H new ATOM 0 HD11 ILE A 88 9.633 0.528 -9.867 1.00 3.23 H new ATOM 0 HD12 ILE A 88 10.600 1.223 -8.545 1.00 3.23 H new ATOM 0 HD13 ILE A 88 9.523 2.267 -9.503 1.00 3.23 H new ATOM 1767 N ALA B 19 -2.551 -10.068 -12.626 1.00 34.24 N ATOM 1768 CA ALA B 19 -2.957 -9.239 -13.727 1.00 24.30 C ATOM 1769 C ALA B 19 -2.749 -7.799 -13.340 1.00 53.00 C ATOM 1770 O ALA B 19 -2.498 -6.946 -14.176 1.00 14.23 O ATOM 1771 CB ALA B 19 -4.408 -9.470 -14.014 1.00 22.33 C ATOM 0 HA ALA B 19 -2.372 -9.479 -14.615 1.00 24.30 H new ATOM 0 HB1 ALA B 19 -4.718 -8.842 -14.849 1.00 22.33 H new ATOM 0 HB2 ALA B 19 -4.566 -10.518 -14.270 1.00 22.33 H new ATOM 0 HB3 ALA B 19 -4.998 -9.219 -13.132 1.00 22.33 H new ATOM 1777 N ILE B 20 -2.855 -7.543 -12.041 1.00 41.21 N ATOM 1778 CA ILE B 20 -2.606 -6.231 -11.479 1.00 72.25 C ATOM 1779 C ILE B 20 -1.134 -5.882 -11.689 1.00 63.35 C ATOM 1780 O ILE B 20 -0.780 -4.733 -11.965 1.00 75.12 O ATOM 1781 CB ILE B 20 -2.941 -6.205 -9.956 1.00 52.53 C ATOM 1782 CG1 ILE B 20 -4.418 -6.574 -9.729 1.00 52.23 C ATOM 1783 CG2 ILE B 20 -2.625 -4.839 -9.355 1.00 74.43 C ATOM 1784 CD1 ILE B 20 -4.852 -6.576 -8.270 1.00 72.04 C ATOM 0 H ILE B 20 -3.117 -8.246 -11.350 1.00 41.21 H new ATOM 0 HA ILE B 20 -3.244 -5.501 -11.978 1.00 72.25 H new ATOM 0 HB ILE B 20 -2.319 -6.945 -9.452 1.00 52.53 H new ATOM 0 HG12 ILE B 20 -5.043 -5.872 -10.280 1.00 52.23 H new ATOM 0 HG13 ILE B 20 -4.601 -7.562 -10.151 1.00 52.23 H new ATOM 0 HG21 ILE B 20 -2.867 -4.844 -8.292 1.00 74.43 H new ATOM 0 HG22 ILE B 20 -1.565 -4.621 -9.485 1.00 74.43 H new ATOM 0 HG23 ILE B 20 -3.217 -4.074 -9.858 1.00 74.43 H new ATOM 0 HD11 ILE B 20 -5.906 -6.847 -8.204 1.00 72.04 H new ATOM 0 HD12 ILE B 20 -4.256 -7.300 -7.714 1.00 72.04 H new ATOM 0 HD13 ILE B 20 -4.705 -5.583 -7.845 1.00 72.04 H new ATOM 1796 N SER B 21 -0.299 -6.902 -11.630 1.00 21.13 N ATOM 1797 CA SER B 21 1.126 -6.733 -11.809 1.00 32.00 C ATOM 1798 C SER B 21 1.388 -6.438 -13.271 1.00 23.31 C ATOM 1799 O SER B 21 2.159 -5.540 -13.613 1.00 72.10 O ATOM 1800 CB SER B 21 1.866 -8.009 -11.398 1.00 74.34 C ATOM 1801 OG SER B 21 1.524 -8.403 -10.085 1.00 75.51 O ATOM 0 H SER B 21 -0.589 -7.864 -11.458 1.00 21.13 H new ATOM 0 HA SER B 21 1.483 -5.913 -11.186 1.00 32.00 H new ATOM 0 HB2 SER B 21 1.625 -8.812 -12.095 1.00 74.34 H new ATOM 0 HB3 SER B 21 2.942 -7.844 -11.462 1.00 74.34 H new ATOM 0 HG SER B 21 2.011 -9.221 -9.852 1.00 75.51 H new ATOM 1807 N GLU B 22 0.704 -7.198 -14.122 1.00 2.33 N ATOM 1808 CA GLU B 22 0.780 -7.051 -15.561 1.00 3.33 C ATOM 1809 C GLU B 22 0.317 -5.654 -15.972 1.00 21.45 C ATOM 1810 O GLU B 22 0.911 -5.016 -16.837 1.00 2.24 O ATOM 1811 CB GLU B 22 -0.095 -8.119 -16.236 1.00 21.43 C ATOM 1812 CG GLU B 22 0.296 -9.551 -15.884 1.00 60.34 C ATOM 1813 CD GLU B 22 -0.589 -10.593 -16.537 1.00 71.33 C ATOM 1814 OE1 GLU B 22 -1.601 -11.009 -15.935 1.00 12.20 O ATOM 1815 OE2 GLU B 22 -0.284 -11.015 -17.667 1.00 13.22 O ATOM 0 H GLU B 22 0.074 -7.942 -13.821 1.00 2.33 H new ATOM 0 HA GLU B 22 1.814 -7.183 -15.880 1.00 3.33 H new ATOM 0 HB2 GLU B 22 -1.134 -7.956 -15.951 1.00 21.43 H new ATOM 0 HB3 GLU B 22 -0.037 -7.992 -17.317 1.00 21.43 H new ATOM 0 HG2 GLU B 22 1.329 -9.722 -16.185 1.00 60.34 H new ATOM 0 HG3 GLU B 22 0.254 -9.676 -14.802 1.00 60.34 H new ATOM 1822 N THR B 23 -0.730 -5.185 -15.329 1.00 22.23 N ATOM 1823 CA THR B 23 -1.286 -3.881 -15.603 1.00 44.43 C ATOM 1824 C THR B 23 -0.301 -2.762 -15.226 1.00 72.34 C ATOM 1825 O THR B 23 0.035 -1.918 -16.064 1.00 63.25 O ATOM 1826 CB THR B 23 -2.618 -3.690 -14.834 1.00 12.24 C ATOM 1827 OG1 THR B 23 -3.557 -4.706 -15.231 1.00 24.20 O ATOM 1828 CG2 THR B 23 -3.218 -2.317 -15.093 1.00 70.11 C ATOM 0 H THR B 23 -1.221 -5.701 -14.599 1.00 22.23 H new ATOM 0 HA THR B 23 -1.477 -3.821 -16.674 1.00 44.43 H new ATOM 0 HB THR B 23 -2.406 -3.773 -13.768 1.00 12.24 H new ATOM 0 HG1 THR B 23 -3.380 -5.529 -14.729 1.00 24.20 H new ATOM 0 HG21 THR B 23 -4.151 -2.217 -14.538 1.00 70.11 H new ATOM 0 HG22 THR B 23 -2.518 -1.547 -14.768 1.00 70.11 H new ATOM 0 HG23 THR B 23 -3.415 -2.201 -16.159 1.00 70.11 H new ATOM 1836 N LEU B 24 0.193 -2.790 -13.992 1.00 61.12 N ATOM 1837 CA LEU B 24 1.085 -1.739 -13.501 1.00 21.32 C ATOM 1838 C LEU B 24 2.406 -1.707 -14.256 1.00 24.14 C ATOM 1839 O LEU B 24 3.013 -0.651 -14.403 1.00 73.32 O ATOM 1840 CB LEU B 24 1.303 -1.850 -11.992 1.00 15.31 C ATOM 1841 CG LEU B 24 0.046 -1.714 -11.121 1.00 30.20 C ATOM 1842 CD1 LEU B 24 0.399 -1.854 -9.659 1.00 45.12 C ATOM 1843 CD2 LEU B 24 -0.658 -0.383 -11.372 1.00 35.53 C ATOM 0 H LEU B 24 -0.007 -3.525 -13.314 1.00 61.12 H new ATOM 0 HA LEU B 24 0.589 -0.787 -13.693 1.00 21.32 H new ATOM 0 HB2 LEU B 24 1.765 -2.815 -11.781 1.00 15.31 H new ATOM 0 HB3 LEU B 24 2.016 -1.082 -11.690 1.00 15.31 H new ATOM 0 HG LEU B 24 -0.640 -2.515 -11.395 1.00 30.20 H new ATOM 0 HD11 LEU B 24 -0.503 -1.755 -9.056 1.00 45.12 H new ATOM 0 HD12 LEU B 24 0.846 -2.833 -9.485 1.00 45.12 H new ATOM 0 HD13 LEU B 24 1.109 -1.076 -9.380 1.00 45.12 H new ATOM 0 HD21 LEU B 24 -1.544 -0.316 -10.741 1.00 35.53 H new ATOM 0 HD22 LEU B 24 0.019 0.437 -11.135 1.00 35.53 H new ATOM 0 HD23 LEU B 24 -0.953 -0.319 -12.419 1.00 35.53 H new ATOM 1855 N GLU B 25 2.829 -2.871 -14.743 1.00 21.30 N ATOM 1856 CA GLU B 25 4.017 -3.001 -15.570 1.00 13.41 C ATOM 1857 C GLU B 25 3.884 -2.078 -16.793 1.00 2.23 C ATOM 1858 O GLU B 25 4.772 -1.272 -17.081 1.00 33.21 O ATOM 1859 CB GLU B 25 4.146 -4.502 -15.969 1.00 64.13 C ATOM 1860 CG GLU B 25 5.309 -4.917 -16.883 1.00 41.51 C ATOM 1861 CD GLU B 25 5.160 -4.474 -18.330 1.00 22.33 C ATOM 1862 OE1 GLU B 25 6.072 -3.798 -18.855 1.00 4.52 O ATOM 1863 OE2 GLU B 25 4.114 -4.802 -18.958 1.00 42.11 O ATOM 0 H GLU B 25 2.350 -3.755 -14.571 1.00 21.30 H new ATOM 0 HA GLU B 25 4.920 -2.700 -15.040 1.00 13.41 H new ATOM 0 HB2 GLU B 25 4.221 -5.084 -15.051 1.00 64.13 H new ATOM 0 HB3 GLU B 25 3.218 -4.797 -16.458 1.00 64.13 H new ATOM 0 HG2 GLU B 25 6.235 -4.504 -16.483 1.00 41.51 H new ATOM 0 HG3 GLU B 25 5.407 -6.002 -16.856 1.00 41.51 H new ATOM 1870 N THR B 26 2.745 -2.156 -17.454 1.00 24.10 N ATOM 1871 CA THR B 26 2.488 -1.357 -18.625 1.00 4.21 C ATOM 1872 C THR B 26 2.226 0.119 -18.253 1.00 34.10 C ATOM 1873 O THR B 26 2.678 1.037 -18.954 1.00 70.31 O ATOM 1874 CB THR B 26 1.309 -1.932 -19.413 1.00 12.12 C ATOM 1875 OG1 THR B 26 1.575 -3.330 -19.691 1.00 15.25 O ATOM 1876 CG2 THR B 26 1.151 -1.196 -20.732 1.00 3.45 C ATOM 0 H THR B 26 1.978 -2.774 -17.191 1.00 24.10 H new ATOM 0 HA THR B 26 3.378 -1.387 -19.254 1.00 4.21 H new ATOM 0 HB THR B 26 0.396 -1.821 -18.827 1.00 12.12 H new ATOM 0 HG1 THR B 26 2.508 -3.535 -19.473 1.00 15.25 H new ATOM 0 HG21 THR B 26 0.309 -1.614 -21.283 1.00 3.45 H new ATOM 0 HG22 THR B 26 0.969 -0.139 -20.539 1.00 3.45 H new ATOM 0 HG23 THR B 26 2.061 -1.306 -21.321 1.00 3.45 H new ATOM 1884 N VAL B 27 1.517 0.337 -17.138 1.00 34.23 N ATOM 1885 CA VAL B 27 1.217 1.693 -16.660 1.00 3.23 C ATOM 1886 C VAL B 27 2.520 2.458 -16.385 1.00 34.25 C ATOM 1887 O VAL B 27 2.642 3.652 -16.705 1.00 73.22 O ATOM 1888 CB VAL B 27 0.327 1.679 -15.375 1.00 41.43 C ATOM 1889 CG1 VAL B 27 0.052 3.089 -14.908 1.00 53.11 C ATOM 1890 CG2 VAL B 27 -0.990 0.971 -15.634 1.00 50.12 C ATOM 0 H VAL B 27 1.141 -0.407 -16.551 1.00 34.23 H new ATOM 0 HA VAL B 27 0.655 2.198 -17.446 1.00 3.23 H new ATOM 0 HB VAL B 27 0.872 1.140 -14.600 1.00 41.43 H new ATOM 0 HG11 VAL B 27 -0.569 3.061 -14.013 1.00 53.11 H new ATOM 0 HG12 VAL B 27 0.994 3.587 -14.681 1.00 53.11 H new ATOM 0 HG13 VAL B 27 -0.468 3.637 -15.693 1.00 53.11 H new ATOM 0 HG21 VAL B 27 -1.590 0.975 -14.724 1.00 50.12 H new ATOM 0 HG22 VAL B 27 -1.530 1.487 -16.428 1.00 50.12 H new ATOM 0 HG23 VAL B 27 -0.797 -0.058 -15.936 1.00 50.12 H new ATOM 1900 N TYR B 28 3.498 1.751 -15.829 1.00 30.23 N ATOM 1901 CA TYR B 28 4.797 2.329 -15.543 1.00 32.14 C ATOM 1902 C TYR B 28 5.457 2.770 -16.840 1.00 65.14 C ATOM 1903 O TYR B 28 5.993 3.877 -16.927 1.00 31.52 O ATOM 1904 CB TYR B 28 5.707 1.312 -14.812 1.00 5.23 C ATOM 1905 CG TYR B 28 7.083 1.859 -14.430 1.00 43.25 C ATOM 1906 CD1 TYR B 28 8.130 1.883 -15.348 1.00 75.15 C ATOM 1907 CD2 TYR B 28 7.326 2.356 -13.160 1.00 2.13 C ATOM 1908 CE1 TYR B 28 9.369 2.387 -15.005 1.00 3.03 C ATOM 1909 CE2 TYR B 28 8.562 2.860 -12.810 1.00 4.30 C ATOM 1910 CZ TYR B 28 9.577 2.874 -13.735 1.00 12.41 C ATOM 1911 OH TYR B 28 10.801 3.376 -13.387 1.00 63.15 O ATOM 0 H TYR B 28 3.410 0.769 -15.567 1.00 30.23 H new ATOM 0 HA TYR B 28 4.655 3.191 -14.892 1.00 32.14 H new ATOM 0 HB2 TYR B 28 5.200 0.973 -13.908 1.00 5.23 H new ATOM 0 HB3 TYR B 28 5.841 0.438 -15.450 1.00 5.23 H new ATOM 0 HD1 TYR B 28 7.970 1.501 -16.345 1.00 75.15 H new ATOM 0 HD2 TYR B 28 6.531 2.349 -12.428 1.00 2.13 H new ATOM 0 HE1 TYR B 28 10.170 2.399 -15.729 1.00 3.03 H new ATOM 0 HE2 TYR B 28 8.730 3.241 -11.814 1.00 4.30 H new ATOM 0 HH TYR B 28 10.737 4.348 -13.276 1.00 63.15 H new ATOM 1921 N ARG B 29 5.389 1.904 -17.849 1.00 21.04 N ATOM 1922 CA ARG B 29 6.016 2.166 -19.138 1.00 52.12 C ATOM 1923 C ARG B 29 5.432 3.410 -19.772 1.00 62.03 C ATOM 1924 O ARG B 29 6.152 4.261 -20.275 1.00 44.03 O ATOM 1925 CB ARG B 29 5.856 0.980 -20.100 1.00 72.53 C ATOM 1926 CG ARG B 29 6.382 -0.350 -19.582 1.00 54.12 C ATOM 1927 CD ARG B 29 7.787 -0.245 -19.008 1.00 22.51 C ATOM 1928 NE ARG B 29 8.769 0.313 -19.936 1.00 0.24 N ATOM 1929 CZ ARG B 29 10.087 0.314 -19.719 1.00 41.02 C ATOM 1930 NH1 ARG B 29 10.588 -0.326 -18.655 1.00 2.11 N ATOM 1931 NH2 ARG B 29 10.902 0.936 -20.563 1.00 2.12 N ATOM 0 H ARG B 29 4.902 1.009 -17.795 1.00 21.04 H new ATOM 0 HA ARG B 29 7.079 2.316 -18.952 1.00 52.12 H new ATOM 0 HB2 ARG B 29 4.798 0.866 -20.338 1.00 72.53 H new ATOM 0 HB3 ARG B 29 6.369 1.217 -21.032 1.00 72.53 H new ATOM 0 HG2 ARG B 29 5.708 -0.728 -18.813 1.00 54.12 H new ATOM 0 HG3 ARG B 29 6.379 -1.078 -20.394 1.00 54.12 H new ATOM 0 HD2 ARG B 29 7.757 0.374 -18.112 1.00 22.51 H new ATOM 0 HD3 ARG B 29 8.117 -1.237 -18.699 1.00 22.51 H new ATOM 0 HE ARG B 29 8.427 0.727 -20.803 1.00 0.24 H new ATOM 0 HH11 ARG B 29 9.964 -0.813 -18.012 1.00 2.11 H new ATOM 0 HH12 ARG B 29 11.594 -0.327 -18.487 1.00 2.11 H new ATOM 0 HH21 ARG B 29 10.522 1.415 -21.380 1.00 2.12 H new ATOM 0 HH22 ARG B 29 11.908 0.935 -20.395 1.00 2.12 H new ATOM 1945 N ALA B 30 4.120 3.518 -19.709 1.00 2.13 N ATOM 1946 CA ALA B 30 3.413 4.650 -20.267 1.00 62.42 C ATOM 1947 C ALA B 30 3.897 5.956 -19.639 1.00 10.11 C ATOM 1948 O ALA B 30 4.211 6.916 -20.331 1.00 71.03 O ATOM 1949 CB ALA B 30 1.911 4.482 -20.061 1.00 23.30 C ATOM 0 H ALA B 30 3.516 2.824 -19.270 1.00 2.13 H new ATOM 0 HA ALA B 30 3.619 4.693 -21.337 1.00 62.42 H new ATOM 0 HB1 ALA B 30 1.388 5.339 -20.484 1.00 23.30 H new ATOM 0 HB2 ALA B 30 1.575 3.571 -20.556 1.00 23.30 H new ATOM 0 HB3 ALA B 30 1.695 4.416 -18.995 1.00 23.30 H new ATOM 1955 N LEU B 31 3.981 5.964 -18.336 1.00 0.34 N ATOM 1956 CA LEU B 31 4.371 7.142 -17.592 1.00 31.41 C ATOM 1957 C LEU B 31 5.843 7.492 -17.687 1.00 64.32 C ATOM 1958 O LEU B 31 6.189 8.666 -17.584 1.00 3.21 O ATOM 1959 CB LEU B 31 3.913 7.044 -16.165 1.00 14.14 C ATOM 1960 CG LEU B 31 2.418 7.165 -15.967 1.00 35.30 C ATOM 1961 CD1 LEU B 31 2.017 6.686 -14.596 1.00 55.43 C ATOM 1962 CD2 LEU B 31 2.012 8.611 -16.129 1.00 23.15 C ATOM 0 H LEU B 31 3.781 5.151 -17.753 1.00 0.34 H new ATOM 0 HA LEU B 31 3.861 7.977 -18.072 1.00 31.41 H new ATOM 0 HB2 LEU B 31 4.243 6.088 -15.757 1.00 14.14 H new ATOM 0 HB3 LEU B 31 4.406 7.825 -15.586 1.00 14.14 H new ATOM 0 HG LEU B 31 1.916 6.546 -16.711 1.00 35.30 H new ATOM 0 HD11 LEU B 31 0.938 6.783 -14.478 1.00 55.43 H new ATOM 0 HD12 LEU B 31 2.302 5.641 -14.478 1.00 55.43 H new ATOM 0 HD13 LEU B 31 2.520 7.287 -13.839 1.00 55.43 H new ATOM 0 HD21 LEU B 31 0.935 8.705 -15.987 1.00 23.15 H new ATOM 0 HD22 LEU B 31 2.530 9.220 -15.388 1.00 23.15 H new ATOM 0 HD23 LEU B 31 2.278 8.954 -17.129 1.00 23.15 H new ATOM 1974 N GLU B 32 6.717 6.512 -17.867 1.00 53.52 N ATOM 1975 CA GLU B 32 8.136 6.829 -17.984 1.00 40.41 C ATOM 1976 C GLU B 32 8.451 7.437 -19.347 1.00 4.40 C ATOM 1977 O GLU B 32 9.371 8.250 -19.493 1.00 54.44 O ATOM 1978 CB GLU B 32 9.055 5.659 -17.552 1.00 33.43 C ATOM 1979 CG GLU B 32 8.990 4.347 -18.339 1.00 3.32 C ATOM 1980 CD GLU B 32 9.719 4.395 -19.655 1.00 11.34 C ATOM 1981 OE1 GLU B 32 10.949 4.588 -19.645 1.00 11.50 O ATOM 1982 OE2 GLU B 32 9.106 4.196 -20.696 1.00 45.24 O ATOM 0 H GLU B 32 6.482 5.522 -17.934 1.00 53.52 H new ATOM 0 HA GLU B 32 8.371 7.608 -17.259 1.00 40.41 H new ATOM 0 HB2 GLU B 32 10.084 6.016 -17.588 1.00 33.43 H new ATOM 0 HB3 GLU B 32 8.833 5.431 -16.510 1.00 33.43 H new ATOM 0 HG2 GLU B 32 9.410 3.547 -17.730 1.00 3.32 H new ATOM 0 HG3 GLU B 32 7.946 4.094 -18.521 1.00 3.32 H new ATOM 1989 N GLU B 33 7.668 7.048 -20.319 1.00 21.42 N ATOM 1990 CA GLU B 33 7.685 7.650 -21.653 1.00 20.11 C ATOM 1991 C GLU B 33 7.090 9.055 -21.637 1.00 64.14 C ATOM 1992 O GLU B 33 7.547 9.943 -22.353 1.00 30.10 O ATOM 1993 CB GLU B 33 6.898 6.789 -22.635 1.00 53.24 C ATOM 1994 CG GLU B 33 7.620 5.558 -23.111 1.00 23.11 C ATOM 1995 CD GLU B 33 8.761 5.907 -24.025 1.00 55.22 C ATOM 1996 OE1 GLU B 33 8.538 5.965 -25.252 1.00 54.22 O ATOM 1997 OE2 GLU B 33 9.886 6.145 -23.549 1.00 14.23 O ATOM 0 H GLU B 33 6.987 6.295 -20.219 1.00 21.42 H new ATOM 0 HA GLU B 33 8.726 7.713 -21.968 1.00 20.11 H new ATOM 0 HB2 GLU B 33 5.963 6.486 -22.163 1.00 53.24 H new ATOM 0 HB3 GLU B 33 6.635 7.397 -23.501 1.00 53.24 H new ATOM 0 HG2 GLU B 33 7.997 5.002 -22.253 1.00 23.11 H new ATOM 0 HG3 GLU B 33 6.921 4.904 -23.633 1.00 23.11 H new ATOM 2004 N LYS B 34 6.070 9.248 -20.828 1.00 34.45 N ATOM 2005 CA LYS B 34 5.387 10.532 -20.762 1.00 2.53 C ATOM 2006 C LYS B 34 6.039 11.480 -19.755 1.00 1.41 C ATOM 2007 O LYS B 34 5.689 12.653 -19.690 1.00 20.02 O ATOM 2008 CB LYS B 34 3.904 10.336 -20.443 1.00 32.32 C ATOM 2009 CG LYS B 34 3.147 9.504 -21.477 1.00 51.41 C ATOM 2010 CD LYS B 34 3.114 10.161 -22.849 1.00 64.22 C ATOM 2011 CE LYS B 34 2.235 11.389 -22.868 1.00 70.32 C ATOM 2012 NZ LYS B 34 2.284 12.075 -24.174 1.00 35.42 N ATOM 0 H LYS B 34 5.692 8.535 -20.205 1.00 34.45 H new ATOM 0 HA LYS B 34 5.475 10.998 -21.743 1.00 2.53 H new ATOM 0 HB2 LYS B 34 3.814 9.855 -19.469 1.00 32.32 H new ATOM 0 HB3 LYS B 34 3.429 11.314 -20.361 1.00 32.32 H new ATOM 0 HG2 LYS B 34 3.614 8.522 -21.560 1.00 51.41 H new ATOM 0 HG3 LYS B 34 2.126 9.343 -21.131 1.00 51.41 H new ATOM 0 HD2 LYS B 34 4.127 10.436 -23.144 1.00 64.22 H new ATOM 0 HD3 LYS B 34 2.751 9.444 -23.585 1.00 64.22 H new ATOM 0 HE2 LYS B 34 1.207 11.104 -22.645 1.00 70.32 H new ATOM 0 HE3 LYS B 34 2.553 12.076 -22.084 1.00 70.32 H new ATOM 0 HZ1 LYS B 34 1.668 12.913 -24.149 1.00 35.42 H new ATOM 0 HZ2 LYS B 34 3.261 12.369 -24.375 1.00 35.42 H new ATOM 0 HZ3 LYS B 34 1.957 11.427 -24.919 1.00 35.42 H new ATOM 2026 N GLY B 35 6.963 10.957 -18.974 1.00 70.31 N ATOM 2027 CA GLY B 35 7.741 11.764 -18.053 1.00 33.21 C ATOM 2028 C GLY B 35 6.935 12.417 -16.934 1.00 12.22 C ATOM 2029 O GLY B 35 7.207 13.555 -16.568 1.00 72.42 O ATOM 0 H GLY B 35 7.196 9.964 -18.959 1.00 70.31 H new ATOM 0 HA2 GLY B 35 8.514 11.138 -17.607 1.00 33.21 H new ATOM 0 HA3 GLY B 35 8.250 12.545 -18.618 1.00 33.21 H new ATOM 2033 N TYR B 36 5.956 11.719 -16.383 1.00 21.42 N ATOM 2034 CA TYR B 36 5.149 12.315 -15.306 1.00 73.03 C ATOM 2035 C TYR B 36 5.461 11.660 -13.972 1.00 72.53 C ATOM 2036 O TYR B 36 4.731 11.848 -12.999 1.00 15.24 O ATOM 2037 CB TYR B 36 3.648 12.167 -15.578 1.00 54.43 C ATOM 2038 CG TYR B 36 3.159 12.783 -16.860 1.00 61.43 C ATOM 2039 CD1 TYR B 36 2.461 12.025 -17.780 1.00 2.20 C ATOM 2040 CD2 TYR B 36 3.373 14.129 -17.140 1.00 70.41 C ATOM 2041 CE1 TYR B 36 1.992 12.589 -18.952 1.00 62.42 C ATOM 2042 CE2 TYR B 36 2.905 14.696 -18.311 1.00 4.20 C ATOM 2043 CZ TYR B 36 2.217 13.918 -19.212 1.00 65.14 C ATOM 2044 OH TYR B 36 1.749 14.473 -20.386 1.00 64.23 O ATOM 0 H TYR B 36 5.698 10.768 -16.646 1.00 21.42 H new ATOM 0 HA TYR B 36 5.405 13.374 -15.271 1.00 73.03 H new ATOM 0 HB2 TYR B 36 3.401 11.105 -15.588 1.00 54.43 H new ATOM 0 HB3 TYR B 36 3.100 12.614 -14.748 1.00 54.43 H new ATOM 0 HD1 TYR B 36 2.279 10.979 -17.581 1.00 2.20 H new ATOM 0 HD2 TYR B 36 3.913 14.740 -16.432 1.00 70.41 H new ATOM 0 HE1 TYR B 36 1.449 11.984 -19.663 1.00 62.42 H new ATOM 0 HE2 TYR B 36 3.079 15.742 -18.516 1.00 4.20 H new ATOM 0 HH TYR B 36 1.990 15.422 -20.418 1.00 64.23 H new ATOM 2054 N ASN B 37 6.570 10.926 -13.928 1.00 53.31 N ATOM 2055 CA ASN B 37 6.949 10.119 -12.768 1.00 4.14 C ATOM 2056 C ASN B 37 5.927 9.030 -12.519 1.00 35.44 C ATOM 2057 O ASN B 37 4.928 9.250 -11.818 1.00 65.20 O ATOM 2058 CB ASN B 37 7.194 10.938 -11.484 1.00 23.14 C ATOM 2059 CG ASN B 37 8.431 11.793 -11.545 1.00 43.20 C ATOM 2060 OD1 ASN B 37 8.386 12.956 -11.949 1.00 4.52 O ATOM 2061 ND2 ASN B 37 9.546 11.233 -11.140 1.00 42.40 N ATOM 0 H ASN B 37 7.235 10.873 -14.699 1.00 53.31 H new ATOM 0 HA ASN B 37 7.909 9.669 -13.021 1.00 4.14 H new ATOM 0 HB2 ASN B 37 6.330 11.576 -11.299 1.00 23.14 H new ATOM 0 HB3 ASN B 37 7.274 10.256 -10.637 1.00 23.14 H new ATOM 0 HD21 ASN B 37 10.417 11.764 -11.153 1.00 42.40 H new ATOM 0 HD22 ASN B 37 9.542 10.267 -10.812 1.00 42.40 H new ATOM 2068 N PRO B 38 6.132 7.833 -13.130 1.00 41.15 N ATOM 2069 CA PRO B 38 5.202 6.707 -13.031 1.00 22.03 C ATOM 2070 C PRO B 38 4.732 6.409 -11.618 1.00 35.20 C ATOM 2071 O PRO B 38 3.559 6.177 -11.392 1.00 45.04 O ATOM 2072 CB PRO B 38 6.002 5.515 -13.587 1.00 13.14 C ATOM 2073 CG PRO B 38 7.391 6.022 -13.799 1.00 11.21 C ATOM 2074 CD PRO B 38 7.273 7.490 -13.999 1.00 21.20 C ATOM 0 HA PRO B 38 4.284 6.926 -13.576 1.00 22.03 H new ATOM 0 HB2 PRO B 38 5.993 4.678 -12.889 1.00 13.14 H new ATOM 0 HB3 PRO B 38 5.570 5.155 -14.521 1.00 13.14 H new ATOM 0 HG2 PRO B 38 8.023 5.796 -12.940 1.00 11.21 H new ATOM 0 HG3 PRO B 38 7.850 5.547 -14.666 1.00 11.21 H new ATOM 0 HD2 PRO B 38 8.181 8.015 -13.704 1.00 21.20 H new ATOM 0 HD3 PRO B 38 7.082 7.745 -15.041 1.00 21.20 H new ATOM 2082 N ILE B 39 5.637 6.482 -10.679 1.00 12.01 N ATOM 2083 CA ILE B 39 5.331 6.155 -9.304 1.00 1.21 C ATOM 2084 C ILE B 39 4.399 7.198 -8.700 1.00 72.41 C ATOM 2085 O ILE B 39 3.432 6.860 -8.025 1.00 42.14 O ATOM 2086 CB ILE B 39 6.624 6.052 -8.468 1.00 40.52 C ATOM 2087 CG1 ILE B 39 7.591 5.041 -9.115 1.00 12.21 C ATOM 2088 CG2 ILE B 39 6.315 5.657 -7.028 1.00 21.12 C ATOM 2089 CD1 ILE B 39 7.030 3.633 -9.250 1.00 2.24 C ATOM 0 H ILE B 39 6.603 6.768 -10.840 1.00 12.01 H new ATOM 0 HA ILE B 39 4.829 5.188 -9.289 1.00 1.21 H new ATOM 0 HB ILE B 39 7.101 7.032 -8.448 1.00 40.52 H new ATOM 0 HG12 ILE B 39 7.869 5.405 -10.104 1.00 12.21 H new ATOM 0 HG13 ILE B 39 8.505 5.000 -8.522 1.00 12.21 H new ATOM 0 HG21 ILE B 39 7.244 5.592 -6.461 1.00 21.12 H new ATOM 0 HG22 ILE B 39 5.666 6.407 -6.576 1.00 21.12 H new ATOM 0 HG23 ILE B 39 5.814 4.689 -7.016 1.00 21.12 H new ATOM 0 HD11 ILE B 39 7.775 2.987 -9.715 1.00 2.24 H new ATOM 0 HD12 ILE B 39 6.779 3.245 -8.263 1.00 2.24 H new ATOM 0 HD13 ILE B 39 6.134 3.656 -9.870 1.00 2.24 H new ATOM 2101 N ASN B 40 4.664 8.451 -9.014 1.00 31.33 N ATOM 2102 CA ASN B 40 3.941 9.564 -8.498 1.00 53.52 C ATOM 2103 C ASN B 40 2.494 9.602 -9.012 1.00 62.21 C ATOM 2104 O ASN B 40 1.566 9.942 -8.270 1.00 34.41 O ATOM 2105 CB ASN B 40 4.718 10.833 -8.840 1.00 14.33 C ATOM 2106 CG ASN B 40 3.940 12.080 -8.647 1.00 73.42 C ATOM 2107 OD1 ASN B 40 3.894 12.652 -7.568 1.00 1.11 O ATOM 2108 ND2 ASN B 40 3.359 12.536 -9.710 1.00 43.05 N ATOM 0 H ASN B 40 5.412 8.715 -9.655 1.00 31.33 H new ATOM 0 HA ASN B 40 3.853 9.477 -7.415 1.00 53.52 H new ATOM 0 HB2 ASN B 40 5.615 10.876 -8.223 1.00 14.33 H new ATOM 0 HB3 ASN B 40 5.047 10.778 -9.878 1.00 14.33 H new ATOM 0 HD21 ASN B 40 2.834 13.410 -9.669 1.00 43.05 H new ATOM 0 HD22 ASN B 40 3.426 12.022 -10.588 1.00 43.05 H new ATOM 2115 N GLN B 41 2.295 9.254 -10.264 1.00 72.13 N ATOM 2116 CA GLN B 41 0.944 9.224 -10.807 1.00 25.21 C ATOM 2117 C GLN B 41 0.166 8.018 -10.273 1.00 0.04 C ATOM 2118 O GLN B 41 -1.036 8.112 -10.008 1.00 42.43 O ATOM 2119 CB GLN B 41 0.947 9.245 -12.330 1.00 61.22 C ATOM 2120 CG GLN B 41 1.631 10.467 -12.942 1.00 12.21 C ATOM 2121 CD GLN B 41 0.967 11.794 -12.586 1.00 64.52 C ATOM 2122 OE1 GLN B 41 -0.332 11.801 -12.440 1.00 31.21 O flip ATOM 2123 NE2 GLN B 41 1.631 12.822 -12.495 1.00 53.23 N flip ATOM 0 H GLN B 41 3.032 8.992 -10.919 1.00 72.13 H new ATOM 0 HA GLN B 41 0.437 10.129 -10.472 1.00 25.21 H new ATOM 0 HB2 GLN B 41 1.444 8.345 -12.693 1.00 61.22 H new ATOM 0 HB3 GLN B 41 -0.083 9.205 -12.684 1.00 61.22 H new ATOM 0 HG2 GLN B 41 2.670 10.492 -12.612 1.00 12.21 H new ATOM 0 HG3 GLN B 41 1.644 10.358 -14.026 1.00 12.21 H new ATOM 0 HE21 GLN B 41 2.644 12.787 -12.613 1.00 53.23 H new ATOM 0 HE22 GLN B 41 1.170 13.711 -12.301 1.00 53.23 H new ATOM 2132 N ILE B 42 0.860 6.884 -10.108 1.00 11.11 N ATOM 2133 CA ILE B 42 0.229 5.674 -9.584 1.00 4.14 C ATOM 2134 C ILE B 42 -0.197 5.868 -8.132 1.00 50.40 C ATOM 2135 O ILE B 42 -1.352 5.609 -7.792 1.00 73.14 O ATOM 2136 CB ILE B 42 1.122 4.397 -9.740 1.00 13.55 C ATOM 2137 CG1 ILE B 42 1.350 4.089 -11.230 1.00 32.04 C ATOM 2138 CG2 ILE B 42 0.484 3.193 -9.033 1.00 63.42 C ATOM 2139 CD1 ILE B 42 2.258 2.897 -11.494 1.00 42.52 C ATOM 0 H ILE B 42 1.851 6.783 -10.329 1.00 11.11 H new ATOM 0 HA ILE B 42 -0.660 5.502 -10.191 1.00 4.14 H new ATOM 0 HB ILE B 42 2.086 4.592 -9.270 1.00 13.55 H new ATOM 0 HG12 ILE B 42 0.385 3.907 -11.703 1.00 32.04 H new ATOM 0 HG13 ILE B 42 1.778 4.969 -11.709 1.00 32.04 H new ATOM 0 HG21 ILE B 42 1.123 2.318 -9.156 1.00 63.42 H new ATOM 0 HG22 ILE B 42 0.370 3.413 -7.972 1.00 63.42 H new ATOM 0 HG23 ILE B 42 -0.494 2.991 -9.469 1.00 63.42 H new ATOM 0 HD11 ILE B 42 2.364 2.751 -12.569 1.00 42.52 H new ATOM 0 HD12 ILE B 42 3.238 3.082 -11.054 1.00 42.52 H new ATOM 0 HD13 ILE B 42 1.823 2.003 -11.048 1.00 42.52 H new ATOM 2151 N VAL B 43 0.720 6.360 -7.282 1.00 73.14 N ATOM 2152 CA VAL B 43 0.388 6.613 -5.874 1.00 34.31 C ATOM 2153 C VAL B 43 -0.830 7.547 -5.771 1.00 35.50 C ATOM 2154 O VAL B 43 -1.720 7.331 -4.943 1.00 15.43 O ATOM 2155 CB VAL B 43 1.611 7.163 -5.034 1.00 13.33 C ATOM 2156 CG1 VAL B 43 2.161 8.434 -5.629 1.00 23.25 C ATOM 2157 CG2 VAL B 43 1.210 7.433 -3.595 1.00 2.04 C ATOM 0 H VAL B 43 1.680 6.586 -7.541 1.00 73.14 H new ATOM 0 HA VAL B 43 0.133 5.651 -5.430 1.00 34.31 H new ATOM 0 HB VAL B 43 2.381 6.392 -5.060 1.00 13.33 H new ATOM 0 HG11 VAL B 43 3.000 8.784 -5.027 1.00 23.25 H new ATOM 0 HG12 VAL B 43 2.500 8.242 -6.647 1.00 23.25 H new ATOM 0 HG13 VAL B 43 1.382 9.196 -5.643 1.00 23.25 H new ATOM 0 HG21 VAL B 43 2.070 7.810 -3.042 1.00 2.04 H new ATOM 0 HG22 VAL B 43 0.411 8.174 -3.573 1.00 2.04 H new ATOM 0 HG23 VAL B 43 0.860 6.509 -3.135 1.00 2.04 H new ATOM 2167 N GLY B 44 -0.887 8.536 -6.665 1.00 2.01 N ATOM 2168 CA GLY B 44 -2.004 9.450 -6.706 1.00 1.13 C ATOM 2169 C GLY B 44 -3.316 8.739 -7.003 1.00 44.13 C ATOM 2170 O GLY B 44 -4.322 8.964 -6.315 1.00 12.20 O ATOM 0 H GLY B 44 -0.167 8.715 -7.365 1.00 2.01 H new ATOM 0 HA2 GLY B 44 -2.082 9.969 -5.751 1.00 1.13 H new ATOM 0 HA3 GLY B 44 -1.823 10.209 -7.467 1.00 1.13 H new ATOM 2174 N TYR B 45 -3.307 7.861 -8.018 1.00 75.22 N ATOM 2175 CA TYR B 45 -4.508 7.109 -8.389 1.00 53.04 C ATOM 2176 C TYR B 45 -5.024 6.300 -7.221 1.00 53.15 C ATOM 2177 O TYR B 45 -6.200 6.358 -6.895 1.00 70.11 O ATOM 2178 CB TYR B 45 -4.279 6.178 -9.608 1.00 23.20 C ATOM 2179 CG TYR B 45 -5.508 5.317 -9.938 1.00 33.44 C ATOM 2180 CD1 TYR B 45 -5.612 3.996 -9.494 1.00 63.32 C ATOM 2181 CD2 TYR B 45 -6.562 5.832 -10.661 1.00 34.12 C ATOM 2182 CE1 TYR B 45 -6.726 3.234 -9.772 1.00 53.22 C ATOM 2183 CE2 TYR B 45 -7.683 5.074 -10.937 1.00 44.12 C ATOM 2184 CZ TYR B 45 -7.758 3.780 -10.491 1.00 20.13 C ATOM 2185 OH TYR B 45 -8.878 3.033 -10.757 1.00 22.12 O ATOM 0 H TYR B 45 -2.487 7.658 -8.590 1.00 75.22 H new ATOM 0 HA TYR B 45 -5.254 7.850 -8.675 1.00 53.04 H new ATOM 0 HB2 TYR B 45 -4.020 6.782 -10.477 1.00 23.20 H new ATOM 0 HB3 TYR B 45 -3.428 5.527 -9.408 1.00 23.20 H new ATOM 0 HD1 TYR B 45 -4.804 3.564 -8.922 1.00 63.32 H new ATOM 0 HD2 TYR B 45 -6.510 6.850 -11.019 1.00 34.12 H new ATOM 0 HE1 TYR B 45 -6.786 2.213 -9.426 1.00 53.22 H new ATOM 0 HE2 TYR B 45 -8.498 5.500 -11.503 1.00 44.12 H new ATOM 0 HH TYR B 45 -9.293 2.754 -9.914 1.00 22.12 H new ATOM 2195 N LEU B 46 -4.156 5.557 -6.596 1.00 71.34 N ATOM 2196 CA LEU B 46 -4.569 4.717 -5.502 1.00 3.15 C ATOM 2197 C LEU B 46 -4.990 5.505 -4.266 1.00 14.41 C ATOM 2198 O LEU B 46 -5.909 5.108 -3.570 1.00 45.31 O ATOM 2199 CB LEU B 46 -3.577 3.585 -5.178 1.00 72.21 C ATOM 2200 CG LEU B 46 -3.415 2.467 -6.242 1.00 33.32 C ATOM 2201 CD1 LEU B 46 -2.734 2.947 -7.494 1.00 63.23 C ATOM 2202 CD2 LEU B 46 -2.678 1.296 -5.670 1.00 3.32 C ATOM 0 H LEU B 46 -3.162 5.514 -6.821 1.00 71.34 H new ATOM 0 HA LEU B 46 -5.468 4.216 -5.860 1.00 3.15 H new ATOM 0 HB2 LEU B 46 -2.598 4.032 -5.003 1.00 72.21 H new ATOM 0 HB3 LEU B 46 -3.887 3.120 -4.242 1.00 72.21 H new ATOM 0 HG LEU B 46 -4.422 2.159 -6.524 1.00 33.32 H new ATOM 0 HD11 LEU B 46 -2.649 2.122 -8.201 1.00 63.23 H new ATOM 0 HD12 LEU B 46 -3.320 3.750 -7.942 1.00 63.23 H new ATOM 0 HD13 LEU B 46 -1.739 3.318 -7.248 1.00 63.23 H new ATOM 0 HD21 LEU B 46 -2.575 0.523 -6.432 1.00 3.32 H new ATOM 0 HD22 LEU B 46 -1.689 1.614 -5.340 1.00 3.32 H new ATOM 0 HD23 LEU B 46 -3.233 0.897 -4.821 1.00 3.32 H new ATOM 2214 N LEU B 47 -4.344 6.616 -3.995 1.00 53.31 N ATOM 2215 CA LEU B 47 -4.726 7.416 -2.837 1.00 13.55 C ATOM 2216 C LEU B 47 -6.044 8.160 -3.057 1.00 63.01 C ATOM 2217 O LEU B 47 -6.814 8.347 -2.114 1.00 23.34 O ATOM 2218 CB LEU B 47 -3.631 8.414 -2.424 1.00 52.35 C ATOM 2219 CG LEU B 47 -2.296 7.830 -1.955 1.00 40.32 C ATOM 2220 CD1 LEU B 47 -1.345 8.946 -1.563 1.00 34.14 C ATOM 2221 CD2 LEU B 47 -2.494 6.868 -0.792 1.00 13.31 C ATOM 0 H LEU B 47 -3.567 6.987 -4.542 1.00 53.31 H new ATOM 0 HA LEU B 47 -4.862 6.703 -2.024 1.00 13.55 H new ATOM 0 HB2 LEU B 47 -3.434 9.070 -3.272 1.00 52.35 H new ATOM 0 HB3 LEU B 47 -4.027 9.038 -1.623 1.00 52.35 H new ATOM 0 HG LEU B 47 -1.862 7.269 -2.783 1.00 40.32 H new ATOM 0 HD11 LEU B 47 -0.399 8.518 -1.231 1.00 34.14 H new ATOM 0 HD12 LEU B 47 -1.169 9.593 -2.423 1.00 34.14 H new ATOM 0 HD13 LEU B 47 -1.783 9.530 -0.753 1.00 34.14 H new ATOM 0 HD21 LEU B 47 -1.528 6.470 -0.481 1.00 13.31 H new ATOM 0 HD22 LEU B 47 -2.954 7.396 0.043 1.00 13.31 H new ATOM 0 HD23 LEU B 47 -3.141 6.048 -1.104 1.00 13.31 H new ATOM 2233 N SER B 48 -6.319 8.558 -4.283 1.00 40.42 N ATOM 2234 CA SER B 48 -7.489 9.369 -4.543 1.00 30.21 C ATOM 2235 C SER B 48 -8.647 8.620 -5.258 1.00 13.43 C ATOM 2236 O SER B 48 -9.785 9.077 -5.200 1.00 51.33 O ATOM 2237 CB SER B 48 -7.080 10.634 -5.327 1.00 2.41 C ATOM 2238 OG SER B 48 -8.175 11.519 -5.526 1.00 10.33 O ATOM 0 H SER B 48 -5.756 8.336 -5.104 1.00 40.42 H new ATOM 0 HA SER B 48 -7.894 9.644 -3.569 1.00 30.21 H new ATOM 0 HB2 SER B 48 -6.288 11.154 -4.788 1.00 2.41 H new ATOM 0 HB3 SER B 48 -6.669 10.343 -6.294 1.00 2.41 H new ATOM 0 HG SER B 48 -7.873 12.307 -6.024 1.00 10.33 H new ATOM 2244 N GLY B 49 -8.382 7.475 -5.899 1.00 70.52 N ATOM 2245 CA GLY B 49 -9.429 6.818 -6.681 1.00 45.53 C ATOM 2246 C GLY B 49 -9.806 7.664 -7.889 1.00 35.40 C ATOM 2247 O GLY B 49 -10.964 7.672 -8.337 1.00 63.33 O ATOM 0 H GLY B 49 -7.480 6.998 -5.892 1.00 70.52 H new ATOM 0 HA2 GLY B 49 -9.084 5.838 -7.010 1.00 45.53 H new ATOM 0 HA3 GLY B 49 -10.307 6.654 -6.057 1.00 45.53 H new ATOM 2251 N ASP B 50 -8.822 8.375 -8.406 1.00 35.53 N ATOM 2252 CA ASP B 50 -9.017 9.311 -9.497 1.00 45.22 C ATOM 2253 C ASP B 50 -8.339 8.809 -10.762 1.00 54.32 C ATOM 2254 O ASP B 50 -7.115 8.788 -10.849 1.00 54.03 O ATOM 2255 CB ASP B 50 -8.461 10.676 -9.106 1.00 45.44 C ATOM 2256 CG ASP B 50 -8.631 11.721 -10.179 1.00 1.20 C ATOM 2257 OD1 ASP B 50 -9.715 12.331 -10.255 1.00 70.03 O ATOM 2258 OD2 ASP B 50 -7.692 11.960 -10.943 1.00 61.31 O ATOM 0 H ASP B 50 -7.858 8.319 -8.078 1.00 35.53 H new ATOM 0 HA ASP B 50 -10.085 9.402 -9.696 1.00 45.22 H new ATOM 0 HB2 ASP B 50 -8.957 11.015 -8.197 1.00 45.44 H new ATOM 0 HB3 ASP B 50 -7.401 10.575 -8.872 1.00 45.44 H new ATOM 2263 N PRO B 51 -9.127 8.376 -11.753 1.00 31.21 N ATOM 2264 CA PRO B 51 -8.608 7.831 -13.020 1.00 51.22 C ATOM 2265 C PRO B 51 -7.792 8.837 -13.841 1.00 2.21 C ATOM 2266 O PRO B 51 -6.941 8.443 -14.654 1.00 43.33 O ATOM 2267 CB PRO B 51 -9.868 7.419 -13.791 1.00 61.05 C ATOM 2268 CG PRO B 51 -10.945 7.338 -12.767 1.00 61.20 C ATOM 2269 CD PRO B 51 -10.604 8.356 -11.723 1.00 24.12 C ATOM 0 HA PRO B 51 -7.914 7.013 -12.827 1.00 51.22 H new ATOM 0 HB2 PRO B 51 -10.113 8.148 -14.563 1.00 61.05 H new ATOM 0 HB3 PRO B 51 -9.728 6.461 -14.291 1.00 61.05 H new ATOM 0 HG2 PRO B 51 -11.919 7.545 -13.209 1.00 61.20 H new ATOM 0 HG3 PRO B 51 -10.997 6.339 -12.335 1.00 61.20 H new ATOM 0 HD2 PRO B 51 -11.026 9.333 -11.958 1.00 24.12 H new ATOM 0 HD3 PRO B 51 -10.985 8.072 -10.742 1.00 24.12 H new ATOM 2277 N ALA B 52 -8.046 10.119 -13.624 1.00 51.33 N ATOM 2278 CA ALA B 52 -7.431 11.194 -14.395 1.00 61.22 C ATOM 2279 C ALA B 52 -5.909 11.272 -14.240 1.00 51.44 C ATOM 2280 O ALA B 52 -5.249 11.971 -15.016 1.00 43.42 O ATOM 2281 CB ALA B 52 -8.068 12.518 -14.056 1.00 50.24 C ATOM 0 H ALA B 52 -8.689 10.447 -12.903 1.00 51.33 H new ATOM 0 HA ALA B 52 -7.614 10.958 -15.443 1.00 61.22 H new ATOM 0 HB1 ALA B 52 -7.597 13.309 -14.640 1.00 50.24 H new ATOM 0 HB2 ALA B 52 -9.132 12.480 -14.288 1.00 50.24 H new ATOM 0 HB3 ALA B 52 -7.936 12.724 -12.994 1.00 50.24 H new ATOM 2287 N TYR B 53 -5.357 10.565 -13.263 1.00 45.54 N ATOM 2288 CA TYR B 53 -3.913 10.545 -13.054 1.00 44.54 C ATOM 2289 C TYR B 53 -3.143 9.882 -14.196 1.00 54.31 C ATOM 2290 O TYR B 53 -1.998 10.251 -14.463 1.00 43.23 O ATOM 2291 CB TYR B 53 -3.548 9.860 -11.742 1.00 15.34 C ATOM 2292 CG TYR B 53 -3.772 10.720 -10.540 1.00 22.21 C ATOM 2293 CD1 TYR B 53 -2.889 11.732 -10.256 1.00 23.14 C ATOM 2294 CD2 TYR B 53 -4.839 10.529 -9.693 1.00 12.53 C ATOM 2295 CE1 TYR B 53 -3.048 12.531 -9.168 1.00 32.10 C ATOM 2296 CE2 TYR B 53 -5.013 11.334 -8.588 1.00 60.43 C ATOM 2297 CZ TYR B 53 -4.115 12.333 -8.330 1.00 24.20 C ATOM 2298 OH TYR B 53 -4.277 13.128 -7.222 1.00 45.44 O ATOM 0 H TYR B 53 -5.887 9.997 -12.602 1.00 45.54 H new ATOM 0 HA TYR B 53 -3.616 11.593 -13.018 1.00 44.54 H new ATOM 0 HB2 TYR B 53 -4.136 8.948 -11.641 1.00 15.34 H new ATOM 0 HB3 TYR B 53 -2.500 9.562 -11.776 1.00 15.34 H new ATOM 0 HD1 TYR B 53 -2.048 11.897 -10.913 1.00 23.14 H new ATOM 0 HD2 TYR B 53 -5.548 9.740 -9.896 1.00 12.53 H new ATOM 0 HE1 TYR B 53 -2.337 13.318 -8.965 1.00 32.10 H new ATOM 0 HE2 TYR B 53 -5.854 11.177 -7.929 1.00 60.43 H new ATOM 0 HH TYR B 53 -5.084 12.854 -6.738 1.00 45.44 H new ATOM 2308 N ILE B 54 -3.748 8.927 -14.871 1.00 12.02 N ATOM 2309 CA ILE B 54 -3.038 8.207 -15.925 1.00 0.33 C ATOM 2310 C ILE B 54 -3.417 8.770 -17.317 1.00 2.34 C ATOM 2311 O ILE B 54 -4.590 8.833 -17.659 1.00 23.55 O ATOM 2312 CB ILE B 54 -3.318 6.673 -15.864 1.00 0.11 C ATOM 2313 CG1 ILE B 54 -3.075 6.132 -14.434 1.00 64.40 C ATOM 2314 CG2 ILE B 54 -2.427 5.925 -16.860 1.00 62.52 C ATOM 2315 CD1 ILE B 54 -1.667 6.345 -13.900 1.00 43.45 C ATOM 0 H ILE B 54 -4.712 8.630 -14.718 1.00 12.02 H new ATOM 0 HA ILE B 54 -1.970 8.355 -15.763 1.00 0.33 H new ATOM 0 HB ILE B 54 -4.362 6.508 -16.130 1.00 0.11 H new ATOM 0 HG12 ILE B 54 -3.782 6.610 -13.755 1.00 64.40 H new ATOM 0 HG13 ILE B 54 -3.295 5.064 -14.423 1.00 64.40 H new ATOM 0 HG21 ILE B 54 -2.636 4.857 -16.804 1.00 62.52 H new ATOM 0 HG22 ILE B 54 -2.631 6.282 -17.870 1.00 62.52 H new ATOM 0 HG23 ILE B 54 -1.380 6.103 -16.616 1.00 62.52 H new ATOM 0 HD11 ILE B 54 -1.594 5.933 -12.893 1.00 43.45 H new ATOM 0 HD12 ILE B 54 -0.951 5.843 -14.551 1.00 43.45 H new ATOM 0 HD13 ILE B 54 -1.446 7.412 -13.873 1.00 43.45 H new ATOM 2327 N PRO B 55 -2.410 9.211 -18.107 1.00 34.42 N ATOM 2328 CA PRO B 55 -2.602 9.807 -19.446 1.00 4.15 C ATOM 2329 C PRO B 55 -2.698 8.764 -20.584 1.00 61.34 C ATOM 2330 O PRO B 55 -2.317 7.591 -20.425 1.00 12.33 O ATOM 2331 CB PRO B 55 -1.331 10.622 -19.610 1.00 40.35 C ATOM 2332 CG PRO B 55 -0.297 9.805 -18.927 1.00 44.53 C ATOM 2333 CD PRO B 55 -0.982 9.175 -17.745 1.00 45.40 C ATOM 0 HA PRO B 55 -3.536 10.365 -19.510 1.00 4.15 H new ATOM 0 HB2 PRO B 55 -1.088 10.778 -20.661 1.00 40.35 H new ATOM 0 HB3 PRO B 55 -1.426 11.608 -19.156 1.00 40.35 H new ATOM 0 HG2 PRO B 55 0.105 9.044 -19.597 1.00 44.53 H new ATOM 0 HG3 PRO B 55 0.542 10.424 -18.608 1.00 44.53 H new ATOM 0 HD2 PRO B 55 -0.637 8.154 -17.580 1.00 45.40 H new ATOM 0 HD3 PRO B 55 -0.788 9.730 -16.827 1.00 45.40 H new ATOM 2341 N ARG B 56 -3.186 9.200 -21.738 1.00 15.44 N ATOM 2342 CA ARG B 56 -3.343 8.317 -22.878 1.00 42.04 C ATOM 2343 C ARG B 56 -2.057 8.197 -23.697 1.00 63.04 C ATOM 2344 O ARG B 56 -1.837 8.935 -24.667 1.00 14.01 O ATOM 2345 CB ARG B 56 -4.504 8.750 -23.788 1.00 1.54 C ATOM 2346 CG ARG B 56 -4.734 7.832 -24.995 1.00 23.24 C ATOM 2347 CD ARG B 56 -5.807 8.391 -25.909 1.00 41.32 C ATOM 2348 NE ARG B 56 -6.053 7.550 -27.088 1.00 12.02 N ATOM 2349 CZ ARG B 56 -6.843 7.903 -28.110 1.00 60.20 C ATOM 2350 NH1 ARG B 56 -7.446 9.086 -28.105 1.00 54.53 N ATOM 2351 NH2 ARG B 56 -7.022 7.089 -29.134 1.00 74.32 N ATOM 0 H ARG B 56 -3.479 10.162 -21.906 1.00 15.44 H new ATOM 0 HA ARG B 56 -3.577 7.336 -22.465 1.00 42.04 H new ATOM 0 HB2 ARG B 56 -5.419 8.790 -23.197 1.00 1.54 H new ATOM 0 HB3 ARG B 56 -4.312 9.761 -24.146 1.00 1.54 H new ATOM 0 HG2 ARG B 56 -3.803 7.716 -25.550 1.00 23.24 H new ATOM 0 HG3 ARG B 56 -5.026 6.840 -24.651 1.00 23.24 H new ATOM 0 HD2 ARG B 56 -6.735 8.499 -25.347 1.00 41.32 H new ATOM 0 HD3 ARG B 56 -5.514 9.389 -26.236 1.00 41.32 H new ATOM 0 HE ARG B 56 -5.593 6.640 -27.131 1.00 12.02 H new ATOM 0 HH11 ARG B 56 -7.307 9.726 -27.323 1.00 54.53 H new ATOM 0 HH12 ARG B 56 -8.048 9.355 -28.883 1.00 54.53 H new ATOM 0 HH21 ARG B 56 -6.556 6.182 -29.152 1.00 74.32 H new ATOM 0 HH22 ARG B 56 -7.626 7.368 -29.907 1.00 74.32 H new ATOM 2365 N TYR B 57 -1.179 7.359 -23.241 1.00 42.52 N ATOM 2366 CA TYR B 57 -0.034 6.960 -24.030 1.00 12.12 C ATOM 2367 C TYR B 57 -0.342 5.620 -24.657 1.00 30.21 C ATOM 2368 O TYR B 57 -0.010 5.357 -25.810 1.00 12.32 O ATOM 2369 CB TYR B 57 1.231 6.857 -23.169 1.00 40.12 C ATOM 2370 CG TYR B 57 2.467 6.359 -23.921 1.00 32.42 C ATOM 2371 CD1 TYR B 57 3.183 7.201 -24.757 1.00 65.21 C ATOM 2372 CD2 TYR B 57 2.917 5.050 -23.775 1.00 4.45 C ATOM 2373 CE1 TYR B 57 4.298 6.766 -25.427 1.00 33.12 C ATOM 2374 CE2 TYR B 57 4.039 4.599 -24.447 1.00 41.04 C ATOM 2375 CZ TYR B 57 4.730 5.462 -25.271 1.00 22.52 C ATOM 2376 OH TYR B 57 5.859 5.014 -25.945 1.00 1.02 O ATOM 0 H TYR B 57 -1.226 6.929 -22.317 1.00 42.52 H new ATOM 0 HA TYR B 57 0.155 7.711 -24.797 1.00 12.12 H new ATOM 0 HB2 TYR B 57 1.449 7.837 -22.745 1.00 40.12 H new ATOM 0 HB3 TYR B 57 1.034 6.185 -22.333 1.00 40.12 H new ATOM 0 HD1 TYR B 57 2.856 8.222 -24.884 1.00 65.21 H new ATOM 0 HD2 TYR B 57 2.381 4.374 -23.125 1.00 4.45 H new ATOM 0 HE1 TYR B 57 4.837 7.441 -26.075 1.00 33.12 H new ATOM 0 HE2 TYR B 57 4.371 3.578 -24.327 1.00 41.04 H new ATOM 0 HH TYR B 57 6.644 5.515 -25.638 1.00 1.02 H new ATOM 2386 N GLN B 58 -1.022 4.803 -23.897 1.00 33.41 N ATOM 2387 CA GLN B 58 -1.345 3.469 -24.285 1.00 73.32 C ATOM 2388 C GLN B 58 -2.601 3.107 -23.464 1.00 5.42 C ATOM 2389 O GLN B 58 -2.959 3.865 -22.538 1.00 72.01 O ATOM 2390 CB GLN B 58 -0.081 2.582 -23.959 1.00 24.31 C ATOM 2391 CG GLN B 58 -0.023 1.155 -24.533 1.00 32.12 C ATOM 2392 CD GLN B 58 -0.908 0.174 -23.829 1.00 32.04 C ATOM 2393 OE1 GLN B 58 -1.156 0.300 -22.644 1.00 2.34 O ATOM 2394 NE2 GLN B 58 -1.387 -0.797 -24.540 1.00 75.41 N ATOM 0 H GLN B 58 -1.371 5.058 -22.973 1.00 33.41 H new ATOM 0 HA GLN B 58 -1.568 3.324 -25.342 1.00 73.32 H new ATOM 0 HB2 GLN B 58 0.801 3.118 -24.311 1.00 24.31 H new ATOM 0 HB3 GLN B 58 0.002 2.508 -22.875 1.00 24.31 H new ATOM 0 HG2 GLN B 58 -0.301 1.188 -25.586 1.00 32.12 H new ATOM 0 HG3 GLN B 58 1.006 0.798 -24.486 1.00 32.12 H new ATOM 0 HE21 GLN B 58 -1.155 -0.867 -25.531 1.00 75.41 H new ATOM 0 HE22 GLN B 58 -1.997 -1.492 -24.109 1.00 75.41 H new ATOM 2403 N ASP B 59 -3.263 2.005 -23.798 1.00 12.41 N ATOM 2404 CA ASP B 59 -4.511 1.529 -23.122 1.00 63.12 C ATOM 2405 C ASP B 59 -4.369 1.335 -21.619 1.00 20.20 C ATOM 2406 O ASP B 59 -5.352 1.089 -20.945 1.00 73.41 O ATOM 2407 CB ASP B 59 -5.094 0.259 -23.751 1.00 54.33 C ATOM 2408 CG ASP B 59 -5.493 0.435 -25.188 1.00 63.34 C ATOM 2409 OD1 ASP B 59 -4.792 -0.098 -26.076 1.00 41.15 O ATOM 2410 OD2 ASP B 59 -6.496 1.129 -25.454 1.00 21.03 O ATOM 0 H ASP B 59 -2.960 1.392 -24.555 1.00 12.41 H new ATOM 0 HA ASP B 59 -5.212 2.348 -23.283 1.00 63.12 H new ATOM 0 HB2 ASP B 59 -4.359 -0.543 -23.681 1.00 54.33 H new ATOM 0 HB3 ASP B 59 -5.965 -0.056 -23.176 1.00 54.33 H new ATOM 2415 N ALA B 60 -3.150 1.395 -21.116 1.00 14.14 N ATOM 2416 CA ALA B 60 -2.842 1.243 -19.698 1.00 21.32 C ATOM 2417 C ALA B 60 -3.732 2.111 -18.802 1.00 31.50 C ATOM 2418 O ALA B 60 -4.056 1.705 -17.683 1.00 40.14 O ATOM 2419 CB ALA B 60 -1.378 1.562 -19.451 1.00 10.41 C ATOM 0 H ALA B 60 -2.324 1.554 -21.692 1.00 14.14 H new ATOM 0 HA ALA B 60 -3.045 0.205 -19.433 1.00 21.32 H new ATOM 0 HB1 ALA B 60 -1.154 1.447 -18.390 1.00 10.41 H new ATOM 0 HB2 ALA B 60 -0.754 0.880 -20.030 1.00 10.41 H new ATOM 0 HB3 ALA B 60 -1.173 2.588 -19.756 1.00 10.41 H new ATOM 2425 N ARG B 61 -4.161 3.283 -19.295 1.00 72.34 N ATOM 2426 CA ARG B 61 -5.053 4.120 -18.507 1.00 64.00 C ATOM 2427 C ARG B 61 -6.417 3.430 -18.345 1.00 70.24 C ATOM 2428 O ARG B 61 -7.059 3.542 -17.321 1.00 43.22 O ATOM 2429 CB ARG B 61 -5.212 5.545 -19.087 1.00 2.32 C ATOM 2430 CG ARG B 61 -6.009 5.663 -20.379 1.00 23.41 C ATOM 2431 CD ARG B 61 -6.067 7.115 -20.847 1.00 1.10 C ATOM 2432 NE ARG B 61 -6.558 8.025 -19.802 1.00 40.13 N ATOM 2433 CZ ARG B 61 -6.751 9.347 -19.945 1.00 61.13 C ATOM 2434 NH1 ARG B 61 -6.755 9.900 -21.147 1.00 62.12 N ATOM 2435 NH2 ARG B 61 -7.003 10.092 -18.875 1.00 24.00 N ATOM 0 H ARG B 61 -3.909 3.657 -20.210 1.00 72.34 H new ATOM 0 HA ARG B 61 -4.596 4.244 -17.525 1.00 64.00 H new ATOM 0 HB2 ARG B 61 -5.689 6.170 -18.332 1.00 2.32 H new ATOM 0 HB3 ARG B 61 -4.218 5.957 -19.260 1.00 2.32 H new ATOM 0 HG2 ARG B 61 -5.552 5.045 -21.152 1.00 23.41 H new ATOM 0 HG3 ARG B 61 -7.020 5.285 -20.224 1.00 23.41 H new ATOM 0 HD2 ARG B 61 -5.073 7.432 -21.162 1.00 1.10 H new ATOM 0 HD3 ARG B 61 -6.716 7.186 -21.720 1.00 1.10 H new ATOM 0 HE ARG B 61 -6.770 7.618 -18.891 1.00 40.13 H new ATOM 0 HH11 ARG B 61 -6.611 9.322 -21.975 1.00 62.12 H new ATOM 0 HH12 ARG B 61 -6.902 10.904 -21.246 1.00 62.12 H new ATOM 0 HH21 ARG B 61 -7.049 9.660 -17.952 1.00 24.00 H new ATOM 0 HH22 ARG B 61 -7.151 11.096 -18.976 1.00 24.00 H new ATOM 2449 N ASN B 62 -6.832 2.705 -19.368 1.00 11.05 N ATOM 2450 CA ASN B 62 -8.079 1.959 -19.330 1.00 32.34 C ATOM 2451 C ASN B 62 -7.880 0.709 -18.482 1.00 23.35 C ATOM 2452 O ASN B 62 -8.730 0.349 -17.681 1.00 72.44 O ATOM 2453 CB ASN B 62 -8.524 1.558 -20.747 1.00 15.23 C ATOM 2454 CG ASN B 62 -9.904 0.905 -20.767 1.00 51.15 C ATOM 2455 OD1 ASN B 62 -10.039 -0.310 -20.647 1.00 60.42 O ATOM 2456 ND2 ASN B 62 -10.931 1.708 -20.919 1.00 33.40 N ATOM 0 H ASN B 62 -6.318 2.616 -20.245 1.00 11.05 H new ATOM 0 HA ASN B 62 -8.855 2.589 -18.896 1.00 32.34 H new ATOM 0 HB2 ASN B 62 -8.536 2.442 -21.384 1.00 15.23 H new ATOM 0 HB3 ASN B 62 -7.794 0.869 -21.172 1.00 15.23 H new ATOM 0 HD21 ASN B 62 -11.877 1.327 -20.940 1.00 33.40 H new ATOM 0 HD22 ASN B 62 -10.783 2.713 -21.016 1.00 33.40 H new ATOM 2463 N LEU B 63 -6.714 0.076 -18.659 1.00 20.24 N ATOM 2464 CA LEU B 63 -6.342 -1.158 -17.950 1.00 52.03 C ATOM 2465 C LEU B 63 -6.381 -0.976 -16.437 1.00 12.23 C ATOM 2466 O LEU B 63 -6.875 -1.842 -15.712 1.00 53.22 O ATOM 2467 CB LEU B 63 -4.934 -1.636 -18.365 1.00 20.24 C ATOM 2468 CG LEU B 63 -4.715 -1.986 -19.845 1.00 54.32 C ATOM 2469 CD1 LEU B 63 -3.269 -2.410 -20.085 1.00 61.14 C ATOM 2470 CD2 LEU B 63 -5.656 -3.092 -20.279 1.00 20.02 C ATOM 0 H LEU B 63 -5.995 0.407 -19.303 1.00 20.24 H new ATOM 0 HA LEU B 63 -7.078 -1.911 -18.231 1.00 52.03 H new ATOM 0 HB2 LEU B 63 -4.220 -0.858 -18.093 1.00 20.24 H new ATOM 0 HB3 LEU B 63 -4.688 -2.516 -17.771 1.00 20.24 H new ATOM 0 HG LEU B 63 -4.925 -1.096 -20.438 1.00 54.32 H new ATOM 0 HD11 LEU B 63 -3.132 -2.654 -21.138 1.00 61.14 H new ATOM 0 HD12 LEU B 63 -2.600 -1.594 -19.812 1.00 61.14 H new ATOM 0 HD13 LEU B 63 -3.041 -3.285 -19.477 1.00 61.14 H new ATOM 0 HD21 LEU B 63 -5.484 -3.324 -21.330 1.00 20.02 H new ATOM 0 HD22 LEU B 63 -5.474 -3.982 -19.676 1.00 20.02 H new ATOM 0 HD23 LEU B 63 -6.687 -2.766 -20.143 1.00 20.02 H new ATOM 2482 N ILE B 64 -5.869 0.146 -15.961 1.00 24.15 N ATOM 2483 CA ILE B 64 -5.828 0.410 -14.528 1.00 14.03 C ATOM 2484 C ILE B 64 -7.252 0.674 -13.997 1.00 75.44 C ATOM 2485 O ILE B 64 -7.573 0.364 -12.846 1.00 23.34 O ATOM 2486 CB ILE B 64 -4.855 1.594 -14.192 1.00 23.12 C ATOM 2487 CG1 ILE B 64 -4.623 1.717 -12.681 1.00 11.13 C ATOM 2488 CG2 ILE B 64 -5.377 2.915 -14.752 1.00 3.11 C ATOM 2489 CD1 ILE B 64 -3.599 2.778 -12.308 1.00 24.32 C ATOM 0 H ILE B 64 -5.477 0.888 -16.541 1.00 24.15 H new ATOM 0 HA ILE B 64 -5.435 -0.473 -14.024 1.00 14.03 H new ATOM 0 HB ILE B 64 -3.900 1.369 -14.668 1.00 23.12 H new ATOM 0 HG12 ILE B 64 -5.570 1.950 -12.194 1.00 11.13 H new ATOM 0 HG13 ILE B 64 -4.294 0.753 -12.292 1.00 11.13 H new ATOM 0 HG21 ILE B 64 -4.681 3.716 -14.503 1.00 3.11 H new ATOM 0 HG22 ILE B 64 -5.470 2.839 -15.835 1.00 3.11 H new ATOM 0 HG23 ILE B 64 -6.353 3.134 -14.318 1.00 3.11 H new ATOM 0 HD11 ILE B 64 -3.486 2.809 -11.224 1.00 24.32 H new ATOM 0 HD12 ILE B 64 -2.640 2.535 -12.766 1.00 24.32 H new ATOM 0 HD13 ILE B 64 -3.936 3.751 -12.666 1.00 24.32 H new ATOM 2501 N ARG B 65 -8.116 1.164 -14.885 1.00 71.40 N ATOM 2502 CA ARG B 65 -9.505 1.472 -14.558 1.00 53.51 C ATOM 2503 C ARG B 65 -10.372 0.224 -14.569 1.00 0.45 C ATOM 2504 O ARG B 65 -11.585 0.303 -14.382 1.00 63.03 O ATOM 2505 CB ARG B 65 -10.078 2.501 -15.526 1.00 73.30 C ATOM 2506 CG ARG B 65 -9.444 3.872 -15.440 1.00 33.11 C ATOM 2507 CD ARG B 65 -10.057 4.816 -16.462 1.00 4.14 C ATOM 2508 NE ARG B 65 -11.502 4.985 -16.262 1.00 70.24 N ATOM 2509 CZ ARG B 65 -12.335 5.592 -17.117 1.00 14.45 C ATOM 2510 NH1 ARG B 65 -11.867 6.102 -18.257 1.00 15.24 N ATOM 2511 NH2 ARG B 65 -13.633 5.689 -16.827 1.00 61.35 N ATOM 0 H ARG B 65 -7.870 1.359 -15.855 1.00 71.40 H new ATOM 0 HA ARG B 65 -9.511 1.888 -13.550 1.00 53.51 H new ATOM 0 HB2 ARG B 65 -9.964 2.126 -16.543 1.00 73.30 H new ATOM 0 HB3 ARG B 65 -11.148 2.598 -15.340 1.00 73.30 H new ATOM 0 HG2 ARG B 65 -9.579 4.277 -14.437 1.00 33.11 H new ATOM 0 HG3 ARG B 65 -8.370 3.792 -15.610 1.00 33.11 H new ATOM 0 HD2 ARG B 65 -9.567 5.787 -16.397 1.00 4.14 H new ATOM 0 HD3 ARG B 65 -9.873 4.432 -17.465 1.00 4.14 H new ATOM 0 HE ARG B 65 -11.904 4.610 -15.403 1.00 70.24 H new ATOM 0 HH11 ARG B 65 -10.874 6.030 -18.478 1.00 15.24 H new ATOM 0 HH12 ARG B 65 -12.502 6.564 -18.908 1.00 15.24 H new ATOM 0 HH21 ARG B 65 -13.991 5.301 -15.954 1.00 61.35 H new ATOM 0 HH22 ARG B 65 -14.268 6.151 -17.478 1.00 61.35 H new ATOM 2525 N ARG B 66 -9.757 -0.927 -14.786 1.00 25.13 N ATOM 2526 CA ARG B 66 -10.483 -2.186 -14.755 1.00 51.23 C ATOM 2527 C ARG B 66 -10.607 -2.695 -13.321 1.00 32.12 C ATOM 2528 O ARG B 66 -11.182 -3.750 -13.059 1.00 14.35 O ATOM 2529 CB ARG B 66 -9.844 -3.231 -15.674 1.00 23.33 C ATOM 2530 CG ARG B 66 -9.839 -2.818 -17.141 1.00 74.25 C ATOM 2531 CD ARG B 66 -9.296 -3.914 -18.046 1.00 34.50 C ATOM 2532 NE ARG B 66 -10.117 -5.135 -17.980 1.00 63.01 N ATOM 2533 CZ ARG B 66 -10.137 -6.111 -18.901 1.00 42.54 C ATOM 2534 NH1 ARG B 66 -9.445 -5.991 -20.035 1.00 53.31 N ATOM 2535 NH2 ARG B 66 -10.889 -7.191 -18.701 1.00 61.00 N ATOM 0 H ARG B 66 -8.761 -1.016 -14.985 1.00 25.13 H new ATOM 0 HA ARG B 66 -11.488 -2.006 -15.137 1.00 51.23 H new ATOM 0 HB2 ARG B 66 -8.819 -3.411 -15.351 1.00 23.33 H new ATOM 0 HB3 ARG B 66 -10.381 -4.174 -15.570 1.00 23.33 H new ATOM 0 HG2 ARG B 66 -10.854 -2.565 -17.449 1.00 74.25 H new ATOM 0 HG3 ARG B 66 -9.236 -1.918 -17.261 1.00 74.25 H new ATOM 0 HD2 ARG B 66 -9.263 -3.553 -19.074 1.00 34.50 H new ATOM 0 HD3 ARG B 66 -8.271 -4.149 -17.758 1.00 34.50 H new ATOM 0 HE ARG B 66 -10.721 -5.248 -17.166 1.00 63.01 H new ATOM 0 HH11 ARG B 66 -8.893 -5.151 -20.209 1.00 53.31 H new ATOM 0 HH12 ARG B 66 -9.468 -6.739 -20.728 1.00 53.31 H new ATOM 0 HH21 ARG B 66 -11.447 -7.274 -17.851 1.00 61.00 H new ATOM 0 HH22 ARG B 66 -10.908 -7.936 -19.398 1.00 61.00 H new ATOM 2549 N HIS B 67 -10.045 -1.936 -12.402 1.00 71.11 N ATOM 2550 CA HIS B 67 -10.172 -2.188 -10.979 1.00 51.41 C ATOM 2551 C HIS B 67 -10.667 -0.911 -10.339 1.00 73.33 C ATOM 2552 O HIS B 67 -10.934 0.064 -11.049 1.00 50.22 O ATOM 2553 CB HIS B 67 -8.848 -2.643 -10.325 1.00 74.23 C ATOM 2554 CG HIS B 67 -8.317 -3.964 -10.816 1.00 24.11 C ATOM 2555 ND1 HIS B 67 -8.383 -5.139 -10.087 1.00 35.00 N ATOM 2556 CD2 HIS B 67 -7.674 -4.280 -11.959 1.00 54.02 C ATOM 2557 CE1 HIS B 67 -7.803 -6.104 -10.770 1.00 62.33 C ATOM 2558 NE2 HIS B 67 -7.366 -5.610 -11.908 1.00 64.24 N ATOM 0 H HIS B 67 -9.480 -1.116 -12.624 1.00 71.11 H new ATOM 0 HA HIS B 67 -10.872 -3.009 -10.827 1.00 51.41 H new ATOM 0 HB2 HIS B 67 -8.092 -1.877 -10.499 1.00 74.23 H new ATOM 0 HB3 HIS B 67 -8.996 -2.706 -9.247 1.00 74.23 H new ATOM 0 HD2 HIS B 67 -7.444 -3.603 -12.769 1.00 54.02 H new ATOM 0 HE1 HIS B 67 -7.703 -7.130 -10.449 1.00 62.33 H new ATOM 0 HE2 HIS B 67 -6.877 -6.134 -12.634 1.00 64.24 H new ATOM 2567 N GLU B 68 -10.797 -0.891 -9.049 1.00 70.50 N ATOM 2568 CA GLU B 68 -11.316 0.283 -8.382 1.00 21.22 C ATOM 2569 C GLU B 68 -10.191 1.175 -7.833 1.00 64.32 C ATOM 2570 O GLU B 68 -9.987 2.290 -8.320 1.00 65.31 O ATOM 2571 CB GLU B 68 -12.390 -0.087 -7.287 1.00 40.33 C ATOM 2572 CG GLU B 68 -11.901 -0.895 -6.065 1.00 3.12 C ATOM 2573 CD GLU B 68 -11.110 -2.109 -6.446 1.00 2.54 C ATOM 2574 OE1 GLU B 68 -9.856 -1.999 -6.471 1.00 60.54 O ATOM 2575 OE2 GLU B 68 -11.704 -3.132 -6.801 1.00 60.33 O ATOM 0 H GLU B 68 -10.555 -1.666 -8.431 1.00 70.50 H new ATOM 0 HA GLU B 68 -11.838 0.876 -9.133 1.00 21.22 H new ATOM 0 HB2 GLU B 68 -12.835 0.839 -6.924 1.00 40.33 H new ATOM 0 HB3 GLU B 68 -13.185 -0.654 -7.771 1.00 40.33 H new ATOM 0 HG2 GLU B 68 -11.288 -0.252 -5.433 1.00 3.12 H new ATOM 0 HG3 GLU B 68 -12.762 -1.201 -5.470 1.00 3.12 H new ATOM 2582 N ARG B 69 -9.433 0.655 -6.877 1.00 53.11 N ATOM 2583 CA ARG B 69 -8.431 1.423 -6.155 1.00 60.22 C ATOM 2584 C ARG B 69 -7.756 0.550 -5.098 1.00 4.53 C ATOM 2585 O ARG B 69 -6.533 0.339 -5.123 1.00 54.55 O ATOM 2586 CB ARG B 69 -9.131 2.623 -5.461 1.00 71.33 C ATOM 2587 CG ARG B 69 -8.301 3.418 -4.482 1.00 21.41 C ATOM 2588 CD ARG B 69 -9.201 4.406 -3.761 1.00 33.53 C ATOM 2589 NE ARG B 69 -8.512 5.190 -2.738 1.00 64.04 N ATOM 2590 CZ ARG B 69 -9.104 5.630 -1.609 1.00 23.04 C ATOM 2591 NH1 ARG B 69 -10.309 5.186 -1.273 1.00 32.04 N ATOM 2592 NH2 ARG B 69 -8.470 6.470 -0.801 1.00 24.41 N ATOM 0 H ARG B 69 -9.498 -0.319 -6.580 1.00 53.11 H new ATOM 0 HA ARG B 69 -7.673 1.778 -6.853 1.00 60.22 H new ATOM 0 HB2 ARG B 69 -9.488 3.303 -6.235 1.00 71.33 H new ATOM 0 HB3 ARG B 69 -10.009 2.247 -4.936 1.00 71.33 H new ATOM 0 HG2 ARG B 69 -7.823 2.751 -3.765 1.00 21.41 H new ATOM 0 HG3 ARG B 69 -7.504 3.947 -5.006 1.00 21.41 H new ATOM 0 HD2 ARG B 69 -9.640 5.085 -4.492 1.00 33.53 H new ATOM 0 HD3 ARG B 69 -10.024 3.863 -3.297 1.00 33.53 H new ATOM 0 HE ARG B 69 -7.529 5.417 -2.886 1.00 64.04 H new ATOM 0 HH11 ARG B 69 -10.788 4.511 -1.869 1.00 32.04 H new ATOM 0 HH12 ARG B 69 -10.756 5.520 -0.419 1.00 32.04 H new ATOM 0 HH21 ARG B 69 -7.529 6.787 -1.032 1.00 24.41 H new ATOM 0 HH22 ARG B 69 -8.924 6.799 0.051 1.00 24.41 H new ATOM 2606 N ASP B 70 -8.559 0.019 -4.201 1.00 24.53 N ATOM 2607 CA ASP B 70 -8.043 -0.700 -3.042 1.00 44.24 C ATOM 2608 C ASP B 70 -7.551 -2.123 -3.325 1.00 44.20 C ATOM 2609 O ASP B 70 -6.623 -2.588 -2.646 1.00 65.45 O ATOM 2610 CB ASP B 70 -8.980 -0.608 -1.827 1.00 1.02 C ATOM 2611 CG ASP B 70 -10.390 -1.036 -2.117 1.00 3.15 C ATOM 2612 OD1 ASP B 70 -10.675 -2.216 -2.019 1.00 44.15 O ATOM 2613 OD2 ASP B 70 -11.233 -0.161 -2.439 1.00 3.55 O ATOM 0 H ASP B 70 -9.577 0.069 -4.247 1.00 24.53 H new ATOM 0 HA ASP B 70 -7.131 -0.166 -2.774 1.00 44.24 H new ATOM 0 HB2 ASP B 70 -8.580 -1.227 -1.024 1.00 1.02 H new ATOM 0 HB3 ASP B 70 -8.989 0.420 -1.464 1.00 1.02 H new ATOM 2618 N GLU B 71 -8.119 -2.806 -4.328 1.00 22.41 N ATOM 2619 CA GLU B 71 -7.612 -4.137 -4.718 1.00 64.11 C ATOM 2620 C GLU B 71 -6.150 -4.057 -5.126 1.00 10.11 C ATOM 2621 O GLU B 71 -5.312 -4.867 -4.692 1.00 22.02 O ATOM 2622 CB GLU B 71 -8.441 -4.739 -5.858 1.00 20.12 C ATOM 2623 CG GLU B 71 -9.741 -5.397 -5.427 1.00 0.41 C ATOM 2624 CD GLU B 71 -9.484 -6.688 -4.694 1.00 70.31 C ATOM 2625 OE1 GLU B 71 -9.499 -6.715 -3.433 1.00 75.52 O ATOM 2626 OE2 GLU B 71 -9.213 -7.707 -5.357 1.00 74.14 O ATOM 0 H GLU B 71 -8.912 -2.472 -4.876 1.00 22.41 H new ATOM 0 HA GLU B 71 -7.702 -4.789 -3.849 1.00 64.11 H new ATOM 0 HB2 GLU B 71 -8.670 -3.951 -6.576 1.00 20.12 H new ATOM 0 HB3 GLU B 71 -7.832 -5.478 -6.379 1.00 20.12 H new ATOM 0 HG2 GLU B 71 -10.300 -4.717 -4.785 1.00 0.41 H new ATOM 0 HG3 GLU B 71 -10.361 -5.590 -6.302 1.00 0.41 H new ATOM 2633 N ILE B 72 -5.839 -3.055 -5.922 1.00 62.21 N ATOM 2634 CA ILE B 72 -4.488 -2.856 -6.407 1.00 65.44 C ATOM 2635 C ILE B 72 -3.561 -2.517 -5.240 1.00 70.25 C ATOM 2636 O ILE B 72 -2.455 -3.048 -5.133 1.00 25.42 O ATOM 2637 CB ILE B 72 -4.426 -1.704 -7.455 1.00 72.40 C ATOM 2638 CG1 ILE B 72 -5.393 -1.976 -8.622 1.00 52.13 C ATOM 2639 CG2 ILE B 72 -2.997 -1.531 -7.978 1.00 12.20 C ATOM 2640 CD1 ILE B 72 -5.420 -0.879 -9.673 1.00 52.41 C ATOM 0 H ILE B 72 -6.510 -2.360 -6.249 1.00 62.21 H new ATOM 0 HA ILE B 72 -4.167 -3.781 -6.885 1.00 65.44 H new ATOM 0 HB ILE B 72 -4.731 -0.780 -6.964 1.00 72.40 H new ATOM 0 HG12 ILE B 72 -5.114 -2.915 -9.100 1.00 52.13 H new ATOM 0 HG13 ILE B 72 -6.399 -2.107 -8.223 1.00 52.13 H new ATOM 0 HG21 ILE B 72 -2.972 -0.723 -8.709 1.00 12.20 H new ATOM 0 HG22 ILE B 72 -2.332 -1.291 -7.148 1.00 12.20 H new ATOM 0 HG23 ILE B 72 -2.668 -2.457 -8.450 1.00 12.20 H new ATOM 0 HD11 ILE B 72 -6.125 -1.146 -10.460 1.00 52.41 H new ATOM 0 HD12 ILE B 72 -5.729 0.059 -9.212 1.00 52.41 H new ATOM 0 HD13 ILE B 72 -4.425 -0.761 -10.102 1.00 52.41 H new ATOM 2652 N MET B 73 -4.047 -1.668 -4.344 1.00 23.45 N ATOM 2653 CA MET B 73 -3.243 -1.175 -3.243 1.00 34.34 C ATOM 2654 C MET B 73 -2.886 -2.324 -2.278 1.00 22.31 C ATOM 2655 O MET B 73 -1.723 -2.473 -1.878 1.00 33.23 O ATOM 2656 CB MET B 73 -3.972 -0.033 -2.520 1.00 33.44 C ATOM 2657 CG MET B 73 -3.049 0.944 -1.784 1.00 32.35 C ATOM 2658 SD MET B 73 -2.037 0.197 -0.507 1.00 33.32 S ATOM 2659 CE MET B 73 -1.096 1.606 0.003 1.00 43.33 C ATOM 0 H MET B 73 -5.001 -1.307 -4.362 1.00 23.45 H new ATOM 0 HA MET B 73 -2.309 -0.775 -3.638 1.00 34.34 H new ATOM 0 HB2 MET B 73 -4.562 0.523 -3.248 1.00 33.44 H new ATOM 0 HB3 MET B 73 -4.672 -0.462 -1.803 1.00 33.44 H new ATOM 0 HG2 MET B 73 -2.396 1.425 -2.512 1.00 32.35 H new ATOM 0 HG3 MET B 73 -3.657 1.729 -1.334 1.00 32.35 H new ATOM 0 HE1 MET B 73 -0.035 1.411 -0.153 1.00 43.33 H new ATOM 0 HE2 MET B 73 -1.395 2.475 -0.583 1.00 43.33 H new ATOM 0 HE3 MET B 73 -1.277 1.801 1.060 1.00 43.33 H new ATOM 2669 N GLU B 74 -3.869 -3.157 -1.925 1.00 55.15 N ATOM 2670 CA GLU B 74 -3.583 -4.302 -1.056 1.00 1.13 C ATOM 2671 C GLU B 74 -2.615 -5.250 -1.719 1.00 52.54 C ATOM 2672 O GLU B 74 -1.806 -5.877 -1.052 1.00 43.21 O ATOM 2673 CB GLU B 74 -4.818 -5.096 -0.696 1.00 64.13 C ATOM 2674 CG GLU B 74 -5.848 -4.395 0.142 1.00 61.42 C ATOM 2675 CD GLU B 74 -6.938 -5.355 0.522 1.00 11.22 C ATOM 2676 OE1 GLU B 74 -7.020 -5.761 1.696 1.00 51.14 O ATOM 2677 OE2 GLU B 74 -7.692 -5.767 -0.371 1.00 52.33 O ATOM 0 H GLU B 74 -4.842 -3.066 -2.217 1.00 55.15 H new ATOM 0 HA GLU B 74 -3.159 -3.876 -0.147 1.00 1.13 H new ATOM 0 HB2 GLU B 74 -5.295 -5.421 -1.620 1.00 64.13 H new ATOM 0 HB3 GLU B 74 -4.503 -5.995 -0.166 1.00 64.13 H new ATOM 0 HG2 GLU B 74 -5.383 -3.986 1.039 1.00 61.42 H new ATOM 0 HG3 GLU B 74 -6.268 -3.555 -0.410 1.00 61.42 H new ATOM 2684 N GLU B 75 -2.700 -5.356 -3.036 1.00 33.23 N ATOM 2685 CA GLU B 75 -1.842 -6.255 -3.769 1.00 75.13 C ATOM 2686 C GLU B 75 -0.397 -5.765 -3.662 1.00 72.23 C ATOM 2687 O GLU B 75 0.535 -6.562 -3.529 1.00 11.23 O ATOM 2688 CB GLU B 75 -2.289 -6.348 -5.225 1.00 35.24 C ATOM 2689 CG GLU B 75 -1.703 -7.524 -5.967 1.00 32.11 C ATOM 2690 CD GLU B 75 -2.087 -8.832 -5.306 1.00 34.32 C ATOM 2691 OE1 GLU B 75 -1.255 -9.437 -4.640 1.00 13.34 O ATOM 2692 OE2 GLU B 75 -3.255 -9.259 -5.429 1.00 3.24 O ATOM 0 H GLU B 75 -3.356 -4.829 -3.613 1.00 33.23 H new ATOM 0 HA GLU B 75 -1.907 -7.256 -3.342 1.00 75.13 H new ATOM 0 HB2 GLU B 75 -3.376 -6.414 -5.258 1.00 35.24 H new ATOM 0 HB3 GLU B 75 -2.010 -5.429 -5.741 1.00 35.24 H new ATOM 0 HG2 GLU B 75 -2.053 -7.518 -6.999 1.00 32.11 H new ATOM 0 HG3 GLU B 75 -0.617 -7.434 -5.998 1.00 32.11 H new ATOM 2699 N LEU B 76 -0.231 -4.440 -3.685 1.00 32.24 N ATOM 2700 CA LEU B 76 1.074 -3.825 -3.512 1.00 21.24 C ATOM 2701 C LEU B 76 1.593 -4.156 -2.126 1.00 25.12 C ATOM 2702 O LEU B 76 2.718 -4.630 -1.972 1.00 64.41 O ATOM 2703 CB LEU B 76 0.984 -2.293 -3.634 1.00 21.43 C ATOM 2704 CG LEU B 76 0.402 -1.718 -4.923 1.00 64.33 C ATOM 2705 CD1 LEU B 76 0.400 -0.209 -4.863 1.00 51.44 C ATOM 2706 CD2 LEU B 76 1.175 -2.184 -6.128 1.00 63.44 C ATOM 0 H LEU B 76 -0.992 -3.775 -3.823 1.00 32.24 H new ATOM 0 HA LEU B 76 1.739 -4.208 -4.286 1.00 21.24 H new ATOM 0 HB2 LEU B 76 0.385 -1.925 -2.802 1.00 21.43 H new ATOM 0 HB3 LEU B 76 1.988 -1.887 -3.508 1.00 21.43 H new ATOM 0 HG LEU B 76 -0.623 -2.077 -5.019 1.00 64.33 H new ATOM 0 HD11 LEU B 76 -0.017 0.191 -5.787 1.00 51.44 H new ATOM 0 HD12 LEU B 76 -0.206 0.121 -4.019 1.00 51.44 H new ATOM 0 HD13 LEU B 76 1.421 0.152 -4.740 1.00 51.44 H new ATOM 0 HD21 LEU B 76 0.736 -1.757 -7.030 1.00 63.44 H new ATOM 0 HD22 LEU B 76 2.212 -1.861 -6.042 1.00 63.44 H new ATOM 0 HD23 LEU B 76 1.137 -3.272 -6.186 1.00 63.44 H new ATOM 2718 N THR B 77 0.737 -3.931 -1.130 1.00 52.02 N ATOM 2719 CA THR B 77 1.071 -4.151 0.257 1.00 41.21 C ATOM 2720 C THR B 77 1.465 -5.626 0.524 1.00 34.24 C ATOM 2721 O THR B 77 2.493 -5.897 1.167 1.00 61.01 O ATOM 2722 CB THR B 77 -0.123 -3.747 1.153 1.00 64.23 C ATOM 2723 OG1 THR B 77 -0.504 -2.392 0.844 1.00 54.35 O ATOM 2724 CG2 THR B 77 0.251 -3.826 2.631 1.00 34.34 C ATOM 0 H THR B 77 -0.213 -3.588 -1.275 1.00 52.02 H new ATOM 0 HA THR B 77 1.934 -3.531 0.498 1.00 41.21 H new ATOM 0 HB THR B 77 -0.947 -4.434 0.962 1.00 64.23 H new ATOM 0 HG1 THR B 77 -1.037 -2.382 0.022 1.00 54.35 H new ATOM 0 HG21 THR B 77 -0.606 -3.537 3.239 1.00 34.34 H new ATOM 0 HG22 THR B 77 0.544 -4.846 2.878 1.00 34.34 H new ATOM 0 HG23 THR B 77 1.083 -3.151 2.832 1.00 34.34 H new ATOM 2732 N LYS B 78 0.671 -6.566 0.005 1.00 64.42 N ATOM 2733 CA LYS B 78 0.934 -7.981 0.227 1.00 32.10 C ATOM 2734 C LYS B 78 2.225 -8.420 -0.397 1.00 22.10 C ATOM 2735 O LYS B 78 3.051 -9.012 0.265 1.00 72.53 O ATOM 2736 CB LYS B 78 -0.213 -8.873 -0.242 1.00 0.41 C ATOM 2737 CG LYS B 78 -1.501 -8.614 0.487 1.00 21.41 C ATOM 2738 CD LYS B 78 -2.603 -9.605 0.125 1.00 2.12 C ATOM 2739 CE LYS B 78 -2.906 -9.646 -1.365 1.00 51.11 C ATOM 2740 NZ LYS B 78 -4.020 -10.577 -1.655 1.00 13.01 N ATOM 0 H LYS B 78 -0.151 -6.371 -0.566 1.00 64.42 H new ATOM 0 HA LYS B 78 1.021 -8.098 1.307 1.00 32.10 H new ATOM 0 HB2 LYS B 78 -0.370 -8.720 -1.310 1.00 0.41 H new ATOM 0 HB3 LYS B 78 0.069 -9.917 -0.108 1.00 0.41 H new ATOM 0 HG2 LYS B 78 -1.319 -8.658 1.561 1.00 21.41 H new ATOM 0 HG3 LYS B 78 -1.842 -7.603 0.263 1.00 21.41 H new ATOM 0 HD2 LYS B 78 -2.311 -10.601 0.457 1.00 2.12 H new ATOM 0 HD3 LYS B 78 -3.512 -9.342 0.667 1.00 2.12 H new ATOM 0 HE2 LYS B 78 -3.163 -8.646 -1.715 1.00 51.11 H new ATOM 0 HE3 LYS B 78 -2.016 -9.957 -1.912 1.00 51.11 H new ATOM 0 HZ1 LYS B 78 -4.207 -10.587 -2.678 1.00 13.01 H new ATOM 0 HZ2 LYS B 78 -3.763 -11.535 -1.341 1.00 13.01 H new ATOM 0 HZ3 LYS B 78 -4.874 -10.265 -1.150 1.00 13.01 H new ATOM 2754 N TYR B 79 2.410 -8.107 -1.658 1.00 32.42 N ATOM 2755 CA TYR B 79 3.609 -8.512 -2.368 1.00 22.13 C ATOM 2756 C TYR B 79 4.867 -7.893 -1.742 1.00 25.23 C ATOM 2757 O TYR B 79 5.921 -8.540 -1.658 1.00 13.35 O ATOM 2758 CB TYR B 79 3.497 -8.163 -3.849 1.00 3.01 C ATOM 2759 CG TYR B 79 4.699 -8.567 -4.654 1.00 32.44 C ATOM 2760 CD1 TYR B 79 4.952 -9.899 -4.925 1.00 35.15 C ATOM 2761 CD2 TYR B 79 5.577 -7.618 -5.149 1.00 11.30 C ATOM 2762 CE1 TYR B 79 6.047 -10.278 -5.663 1.00 1.23 C ATOM 2763 CE2 TYR B 79 6.672 -7.984 -5.888 1.00 2.01 C ATOM 2764 CZ TYR B 79 6.904 -9.314 -6.144 1.00 3.42 C ATOM 2765 OH TYR B 79 8.001 -9.678 -6.869 1.00 43.31 O ATOM 0 H TYR B 79 1.746 -7.572 -2.218 1.00 32.42 H new ATOM 0 HA TYR B 79 3.704 -9.594 -2.280 1.00 22.13 H new ATOM 0 HB2 TYR B 79 2.613 -8.649 -4.262 1.00 3.01 H new ATOM 0 HB3 TYR B 79 3.347 -7.088 -3.950 1.00 3.01 H new ATOM 0 HD1 TYR B 79 4.277 -10.654 -4.550 1.00 35.15 H new ATOM 0 HD2 TYR B 79 5.396 -6.572 -4.950 1.00 11.30 H new ATOM 0 HE1 TYR B 79 6.234 -11.323 -5.864 1.00 1.23 H new ATOM 0 HE2 TYR B 79 7.348 -7.232 -6.267 1.00 2.01 H new ATOM 0 HH TYR B 79 7.878 -9.412 -7.804 1.00 43.31 H new ATOM 2775 N TYR B 80 4.739 -6.658 -1.299 1.00 41.23 N ATOM 2776 CA TYR B 80 5.819 -5.939 -0.642 1.00 13.14 C ATOM 2777 C TYR B 80 6.273 -6.714 0.601 1.00 65.03 C ATOM 2778 O TYR B 80 7.468 -6.987 0.789 1.00 73.43 O ATOM 2779 CB TYR B 80 5.304 -4.541 -0.252 1.00 13.25 C ATOM 2780 CG TYR B 80 6.295 -3.608 0.408 1.00 60.11 C ATOM 2781 CD1 TYR B 80 7.101 -2.778 -0.354 1.00 3.41 C ATOM 2782 CD2 TYR B 80 6.394 -3.529 1.790 1.00 24.31 C ATOM 2783 CE1 TYR B 80 7.986 -1.899 0.239 1.00 25.11 C ATOM 2784 CE2 TYR B 80 7.267 -2.649 2.394 1.00 72.25 C ATOM 2785 CZ TYR B 80 8.062 -1.836 1.613 1.00 40.53 C ATOM 2786 OH TYR B 80 8.929 -0.945 2.213 1.00 65.34 O ATOM 0 H TYR B 80 3.877 -6.119 -1.384 1.00 41.23 H new ATOM 0 HA TYR B 80 6.673 -5.838 -1.311 1.00 13.14 H new ATOM 0 HB2 TYR B 80 4.927 -4.055 -1.152 1.00 13.25 H new ATOM 0 HB3 TYR B 80 4.456 -4.667 0.421 1.00 13.25 H new ATOM 0 HD1 TYR B 80 7.036 -2.819 -1.431 1.00 3.41 H new ATOM 0 HD2 TYR B 80 5.776 -4.168 2.403 1.00 24.31 H new ATOM 0 HE1 TYR B 80 8.614 -1.266 -0.370 1.00 25.11 H new ATOM 0 HE2 TYR B 80 7.328 -2.597 3.471 1.00 72.25 H new ATOM 0 HH TYR B 80 8.564 -0.667 3.079 1.00 65.34 H new ATOM 2796 N LEU B 81 5.315 -7.075 1.425 1.00 2.43 N ATOM 2797 CA LEU B 81 5.574 -7.803 2.647 1.00 63.52 C ATOM 2798 C LEU B 81 5.944 -9.269 2.399 1.00 63.03 C ATOM 2799 O LEU B 81 6.787 -9.832 3.116 1.00 53.20 O ATOM 2800 CB LEU B 81 4.379 -7.699 3.594 1.00 53.42 C ATOM 2801 CG LEU B 81 4.023 -6.283 4.054 1.00 72.10 C ATOM 2802 CD1 LEU B 81 2.798 -6.303 4.940 1.00 74.14 C ATOM 2803 CD2 LEU B 81 5.197 -5.650 4.788 1.00 61.41 C ATOM 0 H LEU B 81 4.329 -6.871 1.265 1.00 2.43 H new ATOM 0 HA LEU B 81 6.442 -7.338 3.114 1.00 63.52 H new ATOM 0 HB2 LEU B 81 3.508 -8.132 3.101 1.00 53.42 H new ATOM 0 HB3 LEU B 81 4.582 -8.308 4.475 1.00 53.42 H new ATOM 0 HG LEU B 81 3.801 -5.683 3.172 1.00 72.10 H new ATOM 0 HD11 LEU B 81 2.561 -5.287 5.257 1.00 74.14 H new ATOM 0 HD12 LEU B 81 1.955 -6.716 4.386 1.00 74.14 H new ATOM 0 HD13 LEU B 81 2.993 -6.920 5.817 1.00 74.14 H new ATOM 0 HD21 LEU B 81 4.926 -4.644 5.108 1.00 61.41 H new ATOM 0 HD22 LEU B 81 5.448 -6.253 5.661 1.00 61.41 H new ATOM 0 HD23 LEU B 81 6.058 -5.600 4.122 1.00 61.41 H new ATOM 2815 N ALA B 82 5.349 -9.866 1.369 1.00 41.41 N ATOM 2816 CA ALA B 82 5.506 -11.288 1.060 1.00 21.01 C ATOM 2817 C ALA B 82 6.954 -11.697 0.883 1.00 22.00 C ATOM 2818 O ALA B 82 7.369 -12.769 1.331 1.00 52.44 O ATOM 2819 CB ALA B 82 4.703 -11.660 -0.174 1.00 64.13 C ATOM 0 H ALA B 82 4.738 -9.373 0.718 1.00 41.41 H new ATOM 0 HA ALA B 82 5.123 -11.835 1.921 1.00 21.01 H new ATOM 0 HB1 ALA B 82 4.833 -12.721 -0.387 1.00 64.13 H new ATOM 0 HB2 ALA B 82 3.648 -11.452 0.002 1.00 64.13 H new ATOM 0 HB3 ALA B 82 5.051 -11.074 -1.025 1.00 64.13 H new ATOM 2825 N ASN B 83 7.736 -10.828 0.283 1.00 44.01 N ATOM 2826 CA ASN B 83 9.141 -11.125 0.010 1.00 52.22 C ATOM 2827 C ASN B 83 10.011 -11.167 1.266 1.00 63.53 C ATOM 2828 O ASN B 83 11.193 -11.489 1.195 1.00 34.34 O ATOM 2829 CB ASN B 83 9.740 -10.198 -1.054 1.00 73.12 C ATOM 2830 CG ASN B 83 9.183 -10.443 -2.456 1.00 35.34 C ATOM 2831 OD1 ASN B 83 9.722 -11.253 -3.221 1.00 11.22 O ATOM 2832 ND2 ASN B 83 8.123 -9.767 -2.812 1.00 52.20 N ATOM 0 H ASN B 83 7.431 -9.906 -0.029 1.00 44.01 H new ATOM 0 HA ASN B 83 9.143 -12.136 -0.397 1.00 52.22 H new ATOM 0 HB2 ASN B 83 9.550 -9.163 -0.772 1.00 73.12 H new ATOM 0 HB3 ASN B 83 10.822 -10.330 -1.073 1.00 73.12 H new ATOM 0 HD21 ASN B 83 7.720 -9.901 -3.740 1.00 52.20 H new ATOM 0 HD22 ASN B 83 7.698 -9.105 -2.162 1.00 52.20 H new ATOM 2839 N HIS B 84 9.430 -10.872 2.425 1.00 15.35 N ATOM 2840 CA HIS B 84 10.180 -10.968 3.679 1.00 25.42 C ATOM 2841 C HIS B 84 10.058 -12.366 4.272 1.00 51.42 C ATOM 2842 O HIS B 84 10.566 -12.642 5.356 1.00 1.55 O ATOM 2843 CB HIS B 84 9.765 -9.900 4.715 1.00 35.35 C ATOM 2844 CG HIS B 84 10.054 -8.489 4.294 1.00 3.12 C ATOM 2845 ND1 HIS B 84 11.322 -7.968 4.239 1.00 42.43 N ATOM 2846 CD2 HIS B 84 9.234 -7.503 3.877 1.00 10.33 C ATOM 2847 CE1 HIS B 84 11.273 -6.732 3.808 1.00 43.12 C ATOM 2848 NE2 HIS B 84 10.014 -6.420 3.577 1.00 62.31 N ATOM 0 H HIS B 84 8.461 -10.570 2.525 1.00 15.35 H new ATOM 0 HA HIS B 84 11.224 -10.773 3.432 1.00 25.42 H new ATOM 0 HB2 HIS B 84 8.697 -9.997 4.912 1.00 35.35 H new ATOM 0 HB3 HIS B 84 10.282 -10.100 5.653 1.00 35.35 H new ATOM 0 HD1 HIS B 84 12.174 -8.467 4.495 1.00 42.43 H new ATOM 0 HD2 HIS B 84 8.159 -7.558 3.795 1.00 10.33 H new ATOM 0 HE1 HIS B 84 12.121 -6.079 3.666 1.00 43.12 H new ATOM 2857 N GLY B 85 9.401 -13.254 3.543 1.00 71.12 N ATOM 2858 CA GLY B 85 9.253 -14.619 3.996 1.00 23.12 C ATOM 2859 C GLY B 85 7.881 -14.893 4.538 1.00 25.23 C ATOM 2860 O GLY B 85 7.635 -15.944 5.132 1.00 22.24 O ATOM 0 H GLY B 85 8.966 -13.052 2.643 1.00 71.12 H new ATOM 0 HA2 GLY B 85 9.457 -15.298 3.168 1.00 23.12 H new ATOM 0 HA3 GLY B 85 9.994 -14.826 4.768 1.00 23.12 H new ATOM 2864 N ILE B 86 6.995 -13.951 4.362 1.00 23.03 N ATOM 2865 CA ILE B 86 5.633 -14.094 4.809 1.00 63.13 C ATOM 2866 C ILE B 86 4.737 -14.441 3.631 1.00 41.00 C ATOM 2867 O ILE B 86 4.829 -13.822 2.575 1.00 23.51 O ATOM 2868 CB ILE B 86 5.121 -12.798 5.483 1.00 23.33 C ATOM 2869 CG1 ILE B 86 6.011 -12.437 6.680 1.00 53.14 C ATOM 2870 CG2 ILE B 86 3.671 -12.965 5.926 1.00 11.44 C ATOM 2871 CD1 ILE B 86 5.585 -11.177 7.394 1.00 13.54 C ATOM 0 H ILE B 86 7.195 -13.062 3.905 1.00 23.03 H new ATOM 0 HA ILE B 86 5.604 -14.897 5.546 1.00 63.13 H new ATOM 0 HB ILE B 86 5.167 -11.985 4.758 1.00 23.33 H new ATOM 0 HG12 ILE B 86 6.005 -13.265 7.389 1.00 53.14 H new ATOM 0 HG13 ILE B 86 7.038 -12.319 6.335 1.00 53.14 H new ATOM 0 HG21 ILE B 86 3.326 -12.045 6.398 1.00 11.44 H new ATOM 0 HG22 ILE B 86 3.048 -13.183 5.058 1.00 11.44 H new ATOM 0 HG23 ILE B 86 3.601 -13.787 6.639 1.00 11.44 H new ATOM 0 HD11 ILE B 86 6.260 -10.985 8.228 1.00 13.54 H new ATOM 0 HD12 ILE B 86 5.618 -10.337 6.700 1.00 13.54 H new ATOM 0 HD13 ILE B 86 4.569 -11.298 7.770 1.00 13.54 H new ATOM 2883 N ASP B 87 3.904 -15.427 3.791 1.00 71.32 N ATOM 2884 CA ASP B 87 2.960 -15.780 2.747 1.00 15.03 C ATOM 2885 C ASP B 87 1.596 -15.256 3.102 1.00 71.12 C ATOM 2886 O ASP B 87 1.028 -15.623 4.139 1.00 62.54 O ATOM 2887 CB ASP B 87 2.911 -17.283 2.485 1.00 2.35 C ATOM 2888 CG ASP B 87 1.928 -17.635 1.386 1.00 74.33 C ATOM 2889 OD1 ASP B 87 2.252 -17.422 0.200 1.00 74.13 O ATOM 2890 OD2 ASP B 87 0.831 -18.147 1.682 1.00 53.13 O ATOM 0 H ASP B 87 3.851 -16.006 4.629 1.00 71.32 H new ATOM 0 HA ASP B 87 3.301 -15.316 1.821 1.00 15.03 H new ATOM 0 HB2 ASP B 87 3.905 -17.636 2.209 1.00 2.35 H new ATOM 0 HB3 ASP B 87 2.631 -17.802 3.402 1.00 2.35 H new ATOM 2895 N ILE B 88 1.080 -14.407 2.260 1.00 44.13 N ATOM 2896 CA ILE B 88 -0.185 -13.747 2.496 1.00 54.23 C ATOM 2897 C ILE B 88 -1.189 -14.231 1.451 1.00 0.43 C ATOM 2898 O ILE B 88 -0.789 -14.656 0.363 1.00 53.11 O ATOM 2899 CB ILE B 88 -0.037 -12.203 2.358 1.00 1.23 C ATOM 2900 CG1 ILE B 88 1.177 -11.702 3.148 1.00 74.44 C ATOM 2901 CG2 ILE B 88 -1.299 -11.512 2.884 1.00 62.44 C ATOM 2902 CD1 ILE B 88 1.456 -10.229 2.954 1.00 13.55 C ATOM 0 H ILE B 88 1.525 -14.147 1.380 1.00 44.13 H new ATOM 0 HA ILE B 88 -0.522 -13.983 3.505 1.00 54.23 H new ATOM 0 HB ILE B 88 0.104 -11.965 1.304 1.00 1.23 H new ATOM 0 HG12 ILE B 88 1.016 -11.897 4.208 1.00 74.44 H new ATOM 0 HG13 ILE B 88 2.056 -12.273 2.849 1.00 74.44 H new ATOM 0 HG21 ILE B 88 -1.190 -10.432 2.785 1.00 62.44 H new ATOM 0 HG22 ILE B 88 -2.163 -11.844 2.308 1.00 62.44 H new ATOM 0 HG23 ILE B 88 -1.443 -11.768 3.934 1.00 62.44 H new ATOM 0 HD11 ILE B 88 2.328 -9.943 3.542 1.00 13.55 H new ATOM 0 HD12 ILE B 88 1.649 -10.031 1.900 1.00 13.55 H new ATOM 0 HD13 ILE B 88 0.593 -9.649 3.280 1.00 13.55 H new