USER MOD reduce.3.24.130724 H: found=0, std=0, add=1134, rem=0, adj=35 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 -1:sc= 1.28 USER MOD Set 1.2: B 80 TYR OH : rot 50:sc= 1.01 USER MOD Set 2.1: A 83 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Set 2.2: B 79 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 80 TYR OH : rot 90:sc= 1.06 USER MOD Set 3.2: B 21 SER OG : rot -39:sc= 1.41 USER MOD Set 4.1: A 23 THR OG1 : rot 79:sc= 0.0442 USER MOD Set 4.2: A 67 HIS : no HE2:sc= 0.996 K(o=1,f=-5.4!) USER MOD Single : A 26 THR OG1 : rot 66:sc= 1.29 USER MOD Single : A 28 TYR OH : rot 150:sc= -0.825 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 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.373 X(o=-0.37,f=-0.015) USER MOD Single : A 41 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.15) USER MOD Single : A 45 TYR OH : rot -15:sc= -1.39 USER MOD Single : A 48 SER OG : rot -169:sc= 1.2 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 :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.0191 K(o=-0.019,f=-1.1) USER MOD Single : A 73 MET CE :methyl 144:sc= -1.01 (180deg=-1.83) USER MOD Single : A 77 THR OG1 : rot 80:sc= 0.54 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 130:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -2.34! C(o=-2.3!,f=-2.2!) USER MOD Single : B 23 THR OG1 : rot 71:sc= 0.905 USER MOD Single : B 26 THR OG1 : rot 94:sc= 1.27 USER MOD Single : B 28 TYR OH : rot 130:sc= -1.26 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 :FLIP amide:sc=-0.00482 F(o=-1.9!,f=-0.0048) USER MOD Single : B 41 GLN :FLIP amide:sc= -0.263 F(o=-0.85,f=-0.26) USER MOD Single : B 45 TYR OH : rot 30:sc= -0.362 USER MOD Single : B 48 SER OG : rot -66:sc= 1.28 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 58 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : B 62 ASN : amide:sc= 0.727 K(o=0.73,f=-6!) USER MOD Single : B 67 HIS : no HE2:sc= 0.18 K(o=0.18,f=-6.7!) USER MOD Single : B 73 MET CE :methyl 151:sc= -1.28 (180deg=-2.19!) USER MOD Single : B 77 THR OG1 : rot 92:sc= 0.464 USER MOD Single : B 78 LYS NZ :NH3+ -165:sc= 1.08 (180deg=0.914) USER MOD Single : B 83 ASN : amide:sc= 0.997 K(o=1,f=-0.084) USER MOD Single : B 84 HIS : no HE2:sc= -2.2 X(o=-2.2,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 300 N ALA A 19 13.716 0.478 5.650 1.00 0.13 N ATOM 301 CA ALA A 19 13.342 0.823 6.995 1.00 30.24 C ATOM 302 C ALA A 19 11.827 0.758 7.092 1.00 61.44 C ATOM 303 O ALA A 19 11.255 0.417 8.119 1.00 71.35 O ATOM 304 CB ALA A 19 13.799 2.225 7.271 1.00 34.45 C ATOM 0 HA ALA A 19 13.795 0.141 7.715 1.00 30.24 H new ATOM 0 HB1 ALA A 19 13.523 2.504 8.288 1.00 34.45 H new ATOM 0 HB2 ALA A 19 14.882 2.283 7.159 1.00 34.45 H new ATOM 0 HB3 ALA A 19 13.324 2.908 6.566 1.00 34.45 H new ATOM 310 N ILE A 20 11.188 1.076 5.976 1.00 53.15 N ATOM 311 CA ILE A 20 9.752 1.006 5.851 1.00 1.55 C ATOM 312 C ILE A 20 9.314 -0.456 5.976 1.00 34.12 C ATOM 313 O ILE A 20 8.243 -0.768 6.514 1.00 11.43 O ATOM 314 CB ILE A 20 9.297 1.602 4.491 1.00 12.55 C ATOM 315 CG1 ILE A 20 9.725 3.080 4.407 1.00 62.01 C ATOM 316 CG2 ILE A 20 7.790 1.459 4.301 1.00 13.41 C ATOM 317 CD1 ILE A 20 9.393 3.758 3.098 1.00 50.14 C ATOM 0 H ILE A 20 11.661 1.391 5.129 1.00 53.15 H new ATOM 0 HA ILE A 20 9.286 1.591 6.644 1.00 1.55 H new ATOM 0 HB ILE A 20 9.779 1.046 3.687 1.00 12.55 H new ATOM 0 HG12 ILE A 20 9.246 3.630 5.217 1.00 62.01 H new ATOM 0 HG13 ILE A 20 10.801 3.143 4.571 1.00 62.01 H new ATOM 0 HG21 ILE A 20 7.502 1.885 3.340 1.00 13.41 H new ATOM 0 HG22 ILE A 20 7.519 0.404 4.325 1.00 13.41 H new ATOM 0 HG23 ILE A 20 7.271 1.986 5.102 1.00 13.41 H new ATOM 0 HD11 ILE A 20 9.730 4.794 3.129 1.00 50.14 H new ATOM 0 HD12 ILE A 20 9.894 3.238 2.281 1.00 50.14 H new ATOM 0 HD13 ILE A 20 8.315 3.732 2.938 1.00 50.14 H new ATOM 329 N SER A 21 10.181 -1.342 5.512 1.00 43.30 N ATOM 330 CA SER A 21 9.928 -2.762 5.568 1.00 61.24 C ATOM 331 C SER A 21 9.896 -3.228 7.013 1.00 13.22 C ATOM 332 O SER A 21 9.026 -4.006 7.392 1.00 33.42 O ATOM 333 CB SER A 21 10.992 -3.529 4.789 1.00 65.03 C ATOM 334 OG SER A 21 11.040 -3.116 3.432 1.00 72.24 O ATOM 0 H SER A 21 11.075 -1.092 5.089 1.00 43.30 H new ATOM 0 HA SER A 21 8.959 -2.960 5.110 1.00 61.24 H new ATOM 0 HB2 SER A 21 11.966 -3.374 5.252 1.00 65.03 H new ATOM 0 HB3 SER A 21 10.782 -4.597 4.838 1.00 65.03 H new ATOM 0 HG SER A 21 10.355 -2.434 3.273 1.00 72.24 H new ATOM 340 N GLU A 22 10.833 -2.706 7.822 1.00 52.33 N ATOM 341 CA GLU A 22 10.926 -3.031 9.251 1.00 53.01 C ATOM 342 C GLU A 22 9.589 -2.728 9.909 1.00 33.32 C ATOM 343 O GLU A 22 9.030 -3.544 10.654 1.00 14.43 O ATOM 344 CB GLU A 22 11.981 -2.147 9.918 1.00 72.13 C ATOM 345 CG GLU A 22 13.352 -2.158 9.266 1.00 0.21 C ATOM 346 CD GLU A 22 14.290 -1.185 9.944 1.00 53.40 C ATOM 347 OE1 GLU A 22 13.862 -0.046 10.240 1.00 34.33 O ATOM 348 OE2 GLU A 22 15.469 -1.524 10.175 1.00 73.32 O ATOM 0 H GLU A 22 11.545 -2.049 7.503 1.00 52.33 H new ATOM 0 HA GLU A 22 11.192 -4.082 9.361 1.00 53.01 H new ATOM 0 HB2 GLU A 22 11.613 -1.121 9.932 1.00 72.13 H new ATOM 0 HB3 GLU A 22 12.089 -2.461 10.956 1.00 72.13 H new ATOM 0 HG2 GLU A 22 13.771 -3.163 9.312 1.00 0.21 H new ATOM 0 HG3 GLU A 22 13.258 -1.900 8.211 1.00 0.21 H new ATOM 355 N THR A 23 9.085 -1.546 9.605 1.00 1.12 N ATOM 356 CA THR A 23 7.839 -1.067 10.124 1.00 32.12 C ATOM 357 C THR A 23 6.668 -1.994 9.736 1.00 41.23 C ATOM 358 O THR A 23 5.953 -2.493 10.604 1.00 42.01 O ATOM 359 CB THR A 23 7.569 0.344 9.558 1.00 20.40 C ATOM 360 OG1 THR A 23 8.653 1.223 9.902 1.00 11.13 O ATOM 361 CG2 THR A 23 6.262 0.913 10.077 1.00 55.32 C ATOM 0 H THR A 23 9.547 -0.888 8.978 1.00 1.12 H new ATOM 0 HA THR A 23 7.910 -1.043 11.211 1.00 32.12 H new ATOM 0 HB THR A 23 7.492 0.261 8.474 1.00 20.40 H new ATOM 0 HG1 THR A 23 9.407 1.064 9.297 1.00 11.13 H new ATOM 0 HG21 THR A 23 6.106 1.907 9.657 1.00 55.32 H new ATOM 0 HG22 THR A 23 5.439 0.261 9.783 1.00 55.32 H new ATOM 0 HG23 THR A 23 6.301 0.980 11.164 1.00 55.32 H new ATOM 369 N LEU A 24 6.524 -2.266 8.449 1.00 62.11 N ATOM 370 CA LEU A 24 5.382 -3.030 7.958 1.00 40.10 C ATOM 371 C LEU A 24 5.454 -4.511 8.324 1.00 15.30 C ATOM 372 O LEU A 24 4.425 -5.140 8.563 1.00 54.21 O ATOM 373 CB LEU A 24 5.194 -2.837 6.457 1.00 72.10 C ATOM 374 CG LEU A 24 4.934 -1.399 5.988 1.00 14.45 C ATOM 375 CD1 LEU A 24 4.772 -1.361 4.485 1.00 12.15 C ATOM 376 CD2 LEU A 24 3.701 -0.813 6.670 1.00 5.20 C ATOM 0 H LEU A 24 7.180 -1.972 7.725 1.00 62.11 H new ATOM 0 HA LEU A 24 4.503 -2.633 8.466 1.00 40.10 H new ATOM 0 HB2 LEU A 24 6.085 -3.208 5.949 1.00 72.10 H new ATOM 0 HB3 LEU A 24 4.360 -3.460 6.133 1.00 72.10 H new ATOM 0 HG LEU A 24 5.794 -0.790 6.266 1.00 14.45 H new ATOM 0 HD11 LEU A 24 4.588 -0.335 4.165 1.00 12.15 H new ATOM 0 HD12 LEU A 24 5.681 -1.731 4.012 1.00 12.15 H new ATOM 0 HD13 LEU A 24 3.930 -1.989 4.194 1.00 12.15 H new ATOM 0 HD21 LEU A 24 3.541 0.206 6.319 1.00 5.20 H new ATOM 0 HD22 LEU A 24 2.829 -1.421 6.430 1.00 5.20 H new ATOM 0 HD23 LEU A 24 3.851 -0.805 7.750 1.00 5.20 H new ATOM 388 N GLU A 25 6.663 -5.059 8.382 1.00 44.12 N ATOM 389 CA GLU A 25 6.870 -6.448 8.765 1.00 33.12 C ATOM 390 C GLU A 25 6.368 -6.633 10.211 1.00 62.31 C ATOM 391 O GLU A 25 5.683 -7.612 10.532 1.00 52.45 O ATOM 392 CB GLU A 25 8.383 -6.786 8.587 1.00 2.53 C ATOM 393 CG GLU A 25 8.827 -8.239 8.816 1.00 22.01 C ATOM 394 CD GLU A 25 8.990 -8.635 10.270 1.00 30.53 C ATOM 395 OE1 GLU A 25 8.110 -9.321 10.826 1.00 11.14 O ATOM 396 OE2 GLU A 25 10.030 -8.283 10.866 1.00 12.41 O ATOM 0 H GLU A 25 7.523 -4.554 8.166 1.00 44.12 H new ATOM 0 HA GLU A 25 6.308 -7.140 8.137 1.00 33.12 H new ATOM 0 HB2 GLU A 25 8.672 -6.504 7.575 1.00 2.53 H new ATOM 0 HB3 GLU A 25 8.950 -6.152 9.269 1.00 2.53 H new ATOM 0 HG2 GLU A 25 8.098 -8.904 8.353 1.00 22.01 H new ATOM 0 HG3 GLU A 25 9.775 -8.399 8.302 1.00 22.01 H new ATOM 403 N THR A 26 6.651 -5.632 11.041 1.00 42.52 N ATOM 404 CA THR A 26 6.218 -5.617 12.424 1.00 62.52 C ATOM 405 C THR A 26 4.679 -5.440 12.505 1.00 73.22 C ATOM 406 O THR A 26 4.002 -6.132 13.272 1.00 32.54 O ATOM 407 CB THR A 26 6.905 -4.462 13.190 1.00 61.15 C ATOM 408 OG1 THR A 26 8.336 -4.556 13.034 1.00 71.52 O ATOM 409 CG2 THR A 26 6.573 -4.526 14.669 1.00 40.02 C ATOM 0 H THR A 26 7.189 -4.810 10.767 1.00 42.52 H new ATOM 0 HA THR A 26 6.497 -6.568 12.879 1.00 62.52 H new ATOM 0 HB THR A 26 6.542 -3.520 12.780 1.00 61.15 H new ATOM 0 HG1 THR A 26 8.574 -4.402 12.096 1.00 71.52 H new ATOM 0 HG21 THR A 26 7.066 -3.705 15.189 1.00 40.02 H new ATOM 0 HG22 THR A 26 5.494 -4.445 14.804 1.00 40.02 H new ATOM 0 HG23 THR A 26 6.919 -5.475 15.079 1.00 40.02 H new ATOM 417 N VAL A 27 4.141 -4.512 11.697 1.00 53.33 N ATOM 418 CA VAL A 27 2.694 -4.243 11.661 1.00 43.13 C ATOM 419 C VAL A 27 1.923 -5.502 11.246 1.00 73.15 C ATOM 420 O VAL A 27 0.841 -5.786 11.771 1.00 32.04 O ATOM 421 CB VAL A 27 2.339 -3.055 10.696 1.00 72.34 C ATOM 422 CG1 VAL A 27 0.837 -2.822 10.638 1.00 44.53 C ATOM 423 CG2 VAL A 27 3.024 -1.773 11.132 1.00 32.22 C ATOM 0 H VAL A 27 4.688 -3.934 11.059 1.00 53.33 H new ATOM 0 HA VAL A 27 2.396 -3.953 12.669 1.00 43.13 H new ATOM 0 HB VAL A 27 2.695 -3.333 9.704 1.00 72.34 H new ATOM 0 HG11 VAL A 27 0.623 -1.994 9.962 1.00 44.53 H new ATOM 0 HG12 VAL A 27 0.343 -3.723 10.275 1.00 44.53 H new ATOM 0 HG13 VAL A 27 0.467 -2.582 11.635 1.00 44.53 H new ATOM 0 HG21 VAL A 27 2.760 -0.968 10.446 1.00 32.22 H new ATOM 0 HG22 VAL A 27 2.700 -1.512 12.139 1.00 32.22 H new ATOM 0 HG23 VAL A 27 4.104 -1.917 11.124 1.00 32.22 H new ATOM 433 N TYR A 28 2.504 -6.260 10.327 1.00 64.31 N ATOM 434 CA TYR A 28 1.897 -7.490 9.856 1.00 73.41 C ATOM 435 C TYR A 28 1.721 -8.457 11.027 1.00 60.42 C ATOM 436 O TYR A 28 0.606 -8.888 11.319 1.00 10.13 O ATOM 437 CB TYR A 28 2.765 -8.120 8.751 1.00 35.51 C ATOM 438 CG TYR A 28 2.149 -9.333 8.073 1.00 70.42 C ATOM 439 CD1 TYR A 28 2.416 -10.620 8.514 1.00 75.12 C ATOM 440 CD2 TYR A 28 1.304 -9.180 6.983 1.00 15.01 C ATOM 441 CE1 TYR A 28 1.853 -11.718 7.886 1.00 1.42 C ATOM 442 CE2 TYR A 28 0.738 -10.270 6.353 1.00 54.20 C ATOM 443 CZ TYR A 28 1.015 -11.531 6.808 1.00 63.21 C ATOM 444 OH TYR A 28 0.451 -12.616 6.179 1.00 22.25 O ATOM 0 H TYR A 28 3.400 -6.040 9.892 1.00 64.31 H new ATOM 0 HA TYR A 28 0.916 -7.271 9.434 1.00 73.41 H new ATOM 0 HB2 TYR A 28 2.971 -7.363 7.994 1.00 35.51 H new ATOM 0 HB3 TYR A 28 3.724 -8.409 9.182 1.00 35.51 H new ATOM 0 HD1 TYR A 28 3.072 -10.768 9.359 1.00 75.12 H new ATOM 0 HD2 TYR A 28 1.084 -8.187 6.620 1.00 15.01 H new ATOM 0 HE1 TYR A 28 2.069 -12.716 8.239 1.00 1.42 H new ATOM 0 HE2 TYR A 28 0.081 -10.129 5.507 1.00 54.20 H new ATOM 0 HH TYR A 28 -0.418 -12.361 5.803 1.00 22.25 H new ATOM 454 N ARG A 29 2.823 -8.733 11.719 1.00 2.01 N ATOM 455 CA ARG A 29 2.841 -9.633 12.885 1.00 71.54 C ATOM 456 C ARG A 29 1.952 -9.146 14.015 1.00 72.11 C ATOM 457 O ARG A 29 1.466 -9.934 14.827 1.00 62.13 O ATOM 458 CB ARG A 29 4.268 -9.909 13.357 1.00 11.12 C ATOM 459 CG ARG A 29 5.050 -10.784 12.399 1.00 63.22 C ATOM 460 CD ARG A 29 4.501 -12.215 12.388 1.00 74.21 C ATOM 461 NE ARG A 29 4.799 -12.937 13.645 1.00 42.34 N ATOM 462 CZ ARG A 29 3.952 -13.733 14.329 1.00 44.45 C ATOM 463 NH1 ARG A 29 2.663 -13.758 14.057 1.00 54.35 N ATOM 464 NH2 ARG A 29 4.403 -14.454 15.334 1.00 30.30 N ATOM 0 H ARG A 29 3.737 -8.340 11.491 1.00 2.01 H new ATOM 0 HA ARG A 29 2.417 -10.581 12.555 1.00 71.54 H new ATOM 0 HB2 ARG A 29 4.792 -8.962 13.485 1.00 11.12 H new ATOM 0 HB3 ARG A 29 4.235 -10.390 14.335 1.00 11.12 H new ATOM 0 HG2 ARG A 29 5.000 -10.364 11.394 1.00 63.22 H new ATOM 0 HG3 ARG A 29 6.101 -10.796 12.688 1.00 63.22 H new ATOM 0 HD2 ARG A 29 3.422 -12.187 12.234 1.00 74.21 H new ATOM 0 HD3 ARG A 29 4.930 -12.760 11.547 1.00 74.21 H new ATOM 0 HE ARG A 29 5.736 -12.821 14.032 1.00 42.34 H new ATOM 0 HH11 ARG A 29 2.287 -13.167 13.316 1.00 54.35 H new ATOM 0 HH12 ARG A 29 2.042 -14.368 14.588 1.00 54.35 H new ATOM 0 HH21 ARG A 29 5.389 -14.409 15.592 1.00 30.30 H new ATOM 0 HH22 ARG A 29 3.767 -15.058 15.855 1.00 30.30 H new ATOM 478 N ALA A 30 1.783 -7.857 14.101 1.00 53.55 N ATOM 479 CA ALA A 30 0.907 -7.300 15.089 1.00 24.52 C ATOM 480 C ALA A 30 -0.554 -7.684 14.800 1.00 73.35 C ATOM 481 O ALA A 30 -1.223 -8.278 15.644 1.00 74.24 O ATOM 482 CB ALA A 30 1.067 -5.785 15.160 1.00 21.34 C ATOM 0 H ALA A 30 2.241 -7.173 13.498 1.00 53.55 H new ATOM 0 HA ALA A 30 1.180 -7.715 16.059 1.00 24.52 H new ATOM 0 HB1 ALA A 30 0.393 -5.383 15.916 1.00 21.34 H new ATOM 0 HB2 ALA A 30 2.096 -5.540 15.424 1.00 21.34 H new ATOM 0 HB3 ALA A 30 0.827 -5.348 14.191 1.00 21.34 H new ATOM 488 N LEU A 31 -1.046 -7.361 13.604 1.00 43.42 N ATOM 489 CA LEU A 31 -2.444 -7.636 13.288 1.00 34.04 C ATOM 490 C LEU A 31 -2.797 -9.087 13.004 1.00 40.42 C ATOM 491 O LEU A 31 -3.941 -9.485 13.263 1.00 31.21 O ATOM 492 CB LEU A 31 -3.077 -6.729 12.241 1.00 11.13 C ATOM 493 CG LEU A 31 -3.236 -5.255 12.582 1.00 13.14 C ATOM 494 CD1 LEU A 31 -1.968 -4.481 12.364 1.00 71.22 C ATOM 495 CD2 LEU A 31 -4.359 -4.666 11.803 1.00 43.01 C ATOM 0 H LEU A 31 -0.512 -6.920 12.856 1.00 43.42 H new ATOM 0 HA LEU A 31 -2.896 -7.387 14.248 1.00 34.04 H new ATOM 0 HB2 LEU A 31 -2.480 -6.800 11.332 1.00 11.13 H new ATOM 0 HB3 LEU A 31 -4.064 -7.127 12.006 1.00 11.13 H new ATOM 0 HG LEU A 31 -3.468 -5.186 13.645 1.00 13.14 H new ATOM 0 HD11 LEU A 31 -2.132 -3.434 12.621 1.00 71.22 H new ATOM 0 HD12 LEU A 31 -1.179 -4.890 12.995 1.00 71.22 H new ATOM 0 HD13 LEU A 31 -1.672 -4.556 11.318 1.00 71.22 H new ATOM 0 HD21 LEU A 31 -4.463 -3.611 12.056 1.00 43.01 H new ATOM 0 HD22 LEU A 31 -4.154 -4.765 10.737 1.00 43.01 H new ATOM 0 HD23 LEU A 31 -5.284 -5.190 12.045 1.00 43.01 H new ATOM 507 N GLU A 32 -1.881 -9.882 12.450 1.00 71.53 N ATOM 508 CA GLU A 32 -2.248 -11.262 12.161 1.00 61.54 C ATOM 509 C GLU A 32 -2.422 -12.124 13.389 1.00 74.25 C ATOM 510 O GLU A 32 -3.274 -13.009 13.419 1.00 35.14 O ATOM 511 CB GLU A 32 -1.529 -11.922 10.955 1.00 53.31 C ATOM 512 CG GLU A 32 -0.018 -11.829 10.878 1.00 13.21 C ATOM 513 CD GLU A 32 0.702 -12.609 11.915 1.00 41.43 C ATOM 514 OE1 GLU A 32 0.895 -12.107 12.991 1.00 14.51 O ATOM 515 OE2 GLU A 32 1.120 -13.759 11.634 1.00 3.33 O ATOM 0 H GLU A 32 -0.929 -9.611 12.204 1.00 71.53 H new ATOM 0 HA GLU A 32 -3.261 -11.179 11.766 1.00 61.54 H new ATOM 0 HB2 GLU A 32 -1.798 -12.978 10.946 1.00 53.31 H new ATOM 0 HB3 GLU A 32 -1.936 -11.482 10.045 1.00 53.31 H new ATOM 0 HG2 GLU A 32 0.304 -12.172 9.895 1.00 13.21 H new ATOM 0 HG3 GLU A 32 0.273 -10.782 10.962 1.00 13.21 H new ATOM 522 N GLU A 33 -1.646 -11.844 14.402 1.00 20.12 N ATOM 523 CA GLU A 33 -1.843 -12.450 15.722 1.00 45.40 C ATOM 524 C GLU A 33 -3.183 -12.030 16.317 1.00 53.32 C ATOM 525 O GLU A 33 -3.864 -12.820 16.974 1.00 32.14 O ATOM 526 CB GLU A 33 -0.725 -12.059 16.675 1.00 71.01 C ATOM 527 CG GLU A 33 0.604 -12.676 16.343 1.00 72.14 C ATOM 528 CD GLU A 33 0.568 -14.174 16.463 1.00 22.04 C ATOM 529 OE1 GLU A 33 0.705 -14.682 17.590 1.00 33.13 O ATOM 530 OE2 GLU A 33 0.412 -14.872 15.438 1.00 10.41 O ATOM 0 H GLU A 33 -0.860 -11.196 14.352 1.00 20.12 H new ATOM 0 HA GLU A 33 -1.833 -13.532 15.589 1.00 45.40 H new ATOM 0 HB2 GLU A 33 -0.621 -10.974 16.672 1.00 71.01 H new ATOM 0 HB3 GLU A 33 -1.006 -12.349 17.687 1.00 71.01 H new ATOM 0 HG2 GLU A 33 0.890 -12.399 15.328 1.00 72.14 H new ATOM 0 HG3 GLU A 33 1.368 -12.276 17.010 1.00 72.14 H new ATOM 537 N LYS A 34 -3.562 -10.791 16.064 1.00 15.44 N ATOM 538 CA LYS A 34 -4.814 -10.230 16.570 1.00 42.15 C ATOM 539 C LYS A 34 -6.006 -10.682 15.733 1.00 51.10 C ATOM 540 O LYS A 34 -7.155 -10.438 16.091 1.00 65.42 O ATOM 541 CB LYS A 34 -4.734 -8.708 16.557 1.00 11.12 C ATOM 542 CG LYS A 34 -3.681 -8.117 17.475 1.00 34.23 C ATOM 543 CD LYS A 34 -4.000 -8.341 18.941 1.00 51.22 C ATOM 544 CE LYS A 34 -5.241 -7.576 19.365 1.00 22.44 C ATOM 545 NZ LYS A 34 -5.546 -7.764 20.797 1.00 4.23 N ATOM 0 H LYS A 34 -3.014 -10.140 15.502 1.00 15.44 H new ATOM 0 HA LYS A 34 -4.957 -10.589 17.589 1.00 42.15 H new ATOM 0 HB2 LYS A 34 -4.534 -8.378 15.538 1.00 11.12 H new ATOM 0 HB3 LYS A 34 -5.707 -8.305 16.837 1.00 11.12 H new ATOM 0 HG2 LYS A 34 -2.712 -8.560 17.245 1.00 34.23 H new ATOM 0 HG3 LYS A 34 -3.595 -7.047 17.284 1.00 34.23 H new ATOM 0 HD2 LYS A 34 -4.148 -9.405 19.124 1.00 51.22 H new ATOM 0 HD3 LYS A 34 -3.152 -8.028 19.551 1.00 51.22 H new ATOM 0 HE2 LYS A 34 -5.100 -6.515 19.161 1.00 22.44 H new ATOM 0 HE3 LYS A 34 -6.091 -7.905 18.767 1.00 22.44 H new ATOM 0 HZ1 LYS A 34 -6.400 -7.225 21.044 1.00 4.23 H new ATOM 0 HZ2 LYS A 34 -5.707 -8.774 20.988 1.00 4.23 H new ATOM 0 HZ3 LYS A 34 -4.746 -7.426 21.370 1.00 4.23 H new ATOM 559 N GLY A 35 -5.726 -11.317 14.616 1.00 73.22 N ATOM 560 CA GLY A 35 -6.772 -11.812 13.751 1.00 53.41 C ATOM 561 C GLY A 35 -7.537 -10.707 13.033 1.00 11.33 C ATOM 562 O GLY A 35 -8.673 -10.907 12.629 1.00 10.54 O ATOM 0 H GLY A 35 -4.779 -11.503 14.285 1.00 73.22 H new ATOM 0 HA2 GLY A 35 -6.334 -12.481 13.010 1.00 53.41 H new ATOM 0 HA3 GLY A 35 -7.472 -12.404 14.341 1.00 53.41 H new ATOM 566 N TYR A 36 -6.931 -9.541 12.879 1.00 74.21 N ATOM 567 CA TYR A 36 -7.605 -8.442 12.170 1.00 35.24 C ATOM 568 C TYR A 36 -7.292 -8.460 10.693 1.00 12.34 C ATOM 569 O TYR A 36 -7.906 -7.726 9.925 1.00 33.13 O ATOM 570 CB TYR A 36 -7.251 -7.059 12.737 1.00 3.42 C ATOM 571 CG TYR A 36 -7.788 -6.747 14.116 1.00 33.32 C ATOM 572 CD1 TYR A 36 -6.944 -6.639 15.204 1.00 31.23 C ATOM 573 CD2 TYR A 36 -9.141 -6.520 14.316 1.00 43.23 C ATOM 574 CE1 TYR A 36 -7.431 -6.321 16.460 1.00 73.14 C ATOM 575 CE2 TYR A 36 -9.634 -6.196 15.564 1.00 42.25 C ATOM 576 CZ TYR A 36 -8.775 -6.098 16.630 1.00 2.41 C ATOM 577 OH TYR A 36 -9.265 -5.769 17.878 1.00 72.10 O ATOM 0 H TYR A 36 -5.996 -9.324 13.223 1.00 74.21 H new ATOM 0 HA TYR A 36 -8.671 -8.610 12.321 1.00 35.24 H new ATOM 0 HB2 TYR A 36 -6.165 -6.967 12.763 1.00 3.42 H new ATOM 0 HB3 TYR A 36 -7.619 -6.301 12.046 1.00 3.42 H new ATOM 0 HD1 TYR A 36 -5.885 -6.806 15.072 1.00 31.23 H new ATOM 0 HD2 TYR A 36 -9.821 -6.598 13.481 1.00 43.23 H new ATOM 0 HE1 TYR A 36 -6.758 -6.249 17.301 1.00 73.14 H new ATOM 0 HE2 TYR A 36 -10.691 -6.020 15.701 1.00 42.25 H new ATOM 0 HH TYR A 36 -10.235 -5.643 17.826 1.00 72.10 H new ATOM 587 N ASN A 37 -6.345 -9.313 10.310 1.00 42.42 N ATOM 588 CA ASN A 37 -5.849 -9.398 8.931 1.00 44.14 C ATOM 589 C ASN A 37 -5.173 -8.071 8.548 1.00 41.52 C ATOM 590 O ASN A 37 -5.822 -7.148 8.015 1.00 64.51 O ATOM 591 CB ASN A 37 -6.951 -9.798 7.917 1.00 24.24 C ATOM 592 CG ASN A 37 -7.561 -11.162 8.204 1.00 62.11 C ATOM 593 OD1 ASN A 37 -8.531 -11.272 8.957 1.00 12.22 O ATOM 594 ND2 ASN A 37 -7.022 -12.200 7.598 1.00 13.14 N ATOM 0 H ASN A 37 -5.895 -9.970 10.948 1.00 42.42 H new ATOM 0 HA ASN A 37 -5.112 -10.200 8.887 1.00 44.14 H new ATOM 0 HB2 ASN A 37 -7.739 -9.045 7.930 1.00 24.24 H new ATOM 0 HB3 ASN A 37 -6.528 -9.800 6.912 1.00 24.24 H new ATOM 0 HD21 ASN A 37 -7.407 -13.133 7.745 1.00 13.14 H new ATOM 0 HD22 ASN A 37 -6.220 -12.071 6.982 1.00 13.14 H new ATOM 601 N PRO A 38 -3.848 -7.964 8.849 1.00 54.31 N ATOM 602 CA PRO A 38 -3.060 -6.717 8.755 1.00 12.30 C ATOM 603 C PRO A 38 -3.241 -5.904 7.492 1.00 50.20 C ATOM 604 O PRO A 38 -3.329 -4.674 7.563 1.00 43.21 O ATOM 605 CB PRO A 38 -1.600 -7.175 8.876 1.00 65.24 C ATOM 606 CG PRO A 38 -1.634 -8.669 8.895 1.00 12.14 C ATOM 607 CD PRO A 38 -3.007 -9.078 9.300 1.00 43.13 C ATOM 0 HA PRO A 38 -3.397 -6.035 9.536 1.00 12.30 H new ATOM 0 HB2 PRO A 38 -1.006 -6.809 8.038 1.00 65.24 H new ATOM 0 HB3 PRO A 38 -1.143 -6.784 9.785 1.00 65.24 H new ATOM 0 HG2 PRO A 38 -1.388 -9.071 7.912 1.00 12.14 H new ATOM 0 HG3 PRO A 38 -0.895 -9.061 9.594 1.00 12.14 H new ATOM 0 HD2 PRO A 38 -3.300 -10.017 8.830 1.00 43.13 H new ATOM 0 HD3 PRO A 38 -3.080 -9.224 10.378 1.00 43.13 H new ATOM 615 N ILE A 39 -3.328 -6.573 6.358 1.00 3.24 N ATOM 616 CA ILE A 39 -3.401 -5.901 5.064 1.00 53.33 C ATOM 617 C ILE A 39 -4.572 -4.914 5.010 1.00 30.11 C ATOM 618 O ILE A 39 -4.423 -3.801 4.512 1.00 31.22 O ATOM 619 CB ILE A 39 -3.494 -6.921 3.892 1.00 5.14 C ATOM 620 CG1 ILE A 39 -2.275 -7.870 3.902 1.00 74.41 C ATOM 621 CG2 ILE A 39 -3.601 -6.205 2.540 1.00 43.12 C ATOM 622 CD1 ILE A 39 -0.933 -7.185 3.746 1.00 21.31 C ATOM 0 H ILE A 39 -3.350 -7.591 6.302 1.00 3.24 H new ATOM 0 HA ILE A 39 -2.476 -5.337 4.947 1.00 53.33 H new ATOM 0 HB ILE A 39 -4.399 -7.511 4.034 1.00 5.14 H new ATOM 0 HG12 ILE A 39 -2.275 -8.428 4.838 1.00 74.41 H new ATOM 0 HG13 ILE A 39 -2.392 -8.596 3.098 1.00 74.41 H new ATOM 0 HG21 ILE A 39 -3.664 -6.944 1.741 1.00 43.12 H new ATOM 0 HG22 ILE A 39 -4.494 -5.581 2.529 1.00 43.12 H new ATOM 0 HG23 ILE A 39 -2.720 -5.581 2.388 1.00 43.12 H new ATOM 0 HD11 ILE A 39 -0.139 -7.932 3.765 1.00 21.31 H new ATOM 0 HD12 ILE A 39 -0.906 -6.650 2.797 1.00 21.31 H new ATOM 0 HD13 ILE A 39 -0.787 -6.480 4.564 1.00 21.31 H new ATOM 634 N ASN A 40 -5.703 -5.304 5.594 1.00 20.42 N ATOM 635 CA ASN A 40 -6.914 -4.475 5.563 1.00 25.52 C ATOM 636 C ASN A 40 -6.714 -3.172 6.306 1.00 33.15 C ATOM 637 O ASN A 40 -7.133 -2.106 5.849 1.00 24.40 O ATOM 638 CB ASN A 40 -8.136 -5.207 6.157 1.00 3.13 C ATOM 639 CG ASN A 40 -8.504 -6.474 5.418 1.00 12.25 C ATOM 640 OD1 ASN A 40 -9.262 -6.449 4.457 1.00 5.25 O ATOM 641 ND2 ASN A 40 -8.007 -7.589 5.883 1.00 31.31 N ATOM 0 H ASN A 40 -5.810 -6.186 6.094 1.00 20.42 H new ATOM 0 HA ASN A 40 -7.108 -4.266 4.511 1.00 25.52 H new ATOM 0 HB2 ASN A 40 -7.931 -5.451 7.199 1.00 3.13 H new ATOM 0 HB3 ASN A 40 -8.991 -4.532 6.151 1.00 3.13 H new ATOM 0 HD21 ASN A 40 -8.248 -8.477 5.443 1.00 31.31 H new ATOM 0 HD22 ASN A 40 -7.378 -7.571 6.686 1.00 31.31 H new ATOM 648 N GLN A 41 -6.093 -3.241 7.455 1.00 35.51 N ATOM 649 CA GLN A 41 -5.898 -2.060 8.241 1.00 23.32 C ATOM 650 C GLN A 41 -4.802 -1.171 7.679 1.00 21.24 C ATOM 651 O GLN A 41 -4.879 0.044 7.784 1.00 61.53 O ATOM 652 CB GLN A 41 -5.726 -2.404 9.697 1.00 70.43 C ATOM 653 CG GLN A 41 -6.946 -3.157 10.242 1.00 34.43 C ATOM 654 CD GLN A 41 -8.230 -2.337 10.214 1.00 65.51 C ATOM 655 OE1 GLN A 41 -9.310 -2.876 10.018 1.00 60.40 O ATOM 656 NE2 GLN A 41 -8.138 -1.068 10.503 1.00 64.45 N ATOM 0 H GLN A 41 -5.718 -4.098 7.861 1.00 35.51 H new ATOM 0 HA GLN A 41 -6.803 -1.455 8.179 1.00 23.32 H new ATOM 0 HB2 GLN A 41 -4.832 -3.015 9.825 1.00 70.43 H new ATOM 0 HB3 GLN A 41 -5.573 -1.491 10.273 1.00 70.43 H new ATOM 0 HG2 GLN A 41 -7.092 -4.066 9.658 1.00 34.43 H new ATOM 0 HG3 GLN A 41 -6.744 -3.466 11.268 1.00 34.43 H new ATOM 0 HE21 GLN A 41 -7.223 -0.646 10.661 1.00 64.45 H new ATOM 0 HE22 GLN A 41 -8.981 -0.498 10.571 1.00 64.45 H new ATOM 665 N ILE A 42 -3.784 -1.785 7.072 1.00 71.13 N ATOM 666 CA ILE A 42 -2.707 -1.022 6.443 1.00 14.13 C ATOM 667 C ILE A 42 -3.252 -0.216 5.256 1.00 65.32 C ATOM 668 O ILE A 42 -3.045 0.998 5.182 1.00 21.12 O ATOM 669 CB ILE A 42 -1.521 -1.919 5.980 1.00 60.20 C ATOM 670 CG1 ILE A 42 -0.914 -2.660 7.187 1.00 0.22 C ATOM 671 CG2 ILE A 42 -0.449 -1.067 5.279 1.00 45.53 C ATOM 672 CD1 ILE A 42 0.212 -3.617 6.833 1.00 20.43 C ATOM 0 H ILE A 42 -3.684 -2.798 7.003 1.00 71.13 H new ATOM 0 HA ILE A 42 -2.316 -0.344 7.201 1.00 14.13 H new ATOM 0 HB ILE A 42 -1.895 -2.656 5.270 1.00 60.20 H new ATOM 0 HG12 ILE A 42 -0.539 -1.924 7.899 1.00 0.22 H new ATOM 0 HG13 ILE A 42 -1.704 -3.217 7.691 1.00 0.22 H new ATOM 0 HG21 ILE A 42 0.374 -1.707 4.961 1.00 45.53 H new ATOM 0 HG22 ILE A 42 -0.885 -0.577 4.408 1.00 45.53 H new ATOM 0 HG23 ILE A 42 -0.075 -0.312 5.970 1.00 45.53 H new ATOM 0 HD11 ILE A 42 0.581 -4.096 7.740 1.00 20.43 H new ATOM 0 HD12 ILE A 42 -0.159 -4.378 6.147 1.00 20.43 H new ATOM 0 HD13 ILE A 42 1.023 -3.065 6.358 1.00 20.43 H new ATOM 684 N VAL A 43 -3.981 -0.885 4.348 1.00 44.50 N ATOM 685 CA VAL A 43 -4.582 -0.188 3.201 1.00 22.35 C ATOM 686 C VAL A 43 -5.538 0.921 3.683 1.00 64.02 C ATOM 687 O VAL A 43 -5.571 2.025 3.121 1.00 11.52 O ATOM 688 CB VAL A 43 -5.275 -1.171 2.160 1.00 24.12 C ATOM 689 CG1 VAL A 43 -6.314 -2.053 2.815 1.00 33.43 C ATOM 690 CG2 VAL A 43 -5.930 -0.395 1.027 1.00 35.51 C ATOM 0 H VAL A 43 -4.166 -1.887 4.384 1.00 44.50 H new ATOM 0 HA VAL A 43 -3.767 0.281 2.649 1.00 22.35 H new ATOM 0 HB VAL A 43 -4.482 -1.804 1.761 1.00 24.12 H new ATOM 0 HG11 VAL A 43 -6.760 -2.707 2.066 1.00 33.43 H new ATOM 0 HG12 VAL A 43 -5.842 -2.657 3.590 1.00 33.43 H new ATOM 0 HG13 VAL A 43 -7.090 -1.431 3.262 1.00 33.43 H new ATOM 0 HG21 VAL A 43 -6.396 -1.092 0.330 1.00 35.51 H new ATOM 0 HG22 VAL A 43 -6.689 0.273 1.435 1.00 35.51 H new ATOM 0 HG23 VAL A 43 -5.175 0.191 0.503 1.00 35.51 H new ATOM 700 N GLY A 44 -6.266 0.633 4.757 1.00 33.41 N ATOM 701 CA GLY A 44 -7.155 1.609 5.342 1.00 70.31 C ATOM 702 C GLY A 44 -6.401 2.800 5.916 1.00 30.42 C ATOM 703 O GLY A 44 -6.859 3.936 5.811 1.00 60.11 O ATOM 0 H GLY A 44 -6.252 -0.269 5.233 1.00 33.41 H new ATOM 0 HA2 GLY A 44 -7.859 1.957 4.586 1.00 70.31 H new ATOM 0 HA3 GLY A 44 -7.741 1.138 6.131 1.00 70.31 H new ATOM 707 N TYR A 45 -5.239 2.534 6.513 1.00 50.32 N ATOM 708 CA TYR A 45 -4.412 3.578 7.107 1.00 72.34 C ATOM 709 C TYR A 45 -3.845 4.513 6.061 1.00 32.51 C ATOM 710 O TYR A 45 -4.037 5.712 6.141 1.00 62.33 O ATOM 711 CB TYR A 45 -3.267 3.002 7.968 1.00 14.10 C ATOM 712 CG TYR A 45 -2.331 4.075 8.531 1.00 60.40 C ATOM 713 CD1 TYR A 45 -1.012 4.187 8.107 1.00 4.15 C ATOM 714 CD2 TYR A 45 -2.779 4.982 9.462 1.00 31.31 C ATOM 715 CE1 TYR A 45 -0.179 5.174 8.611 1.00 62.41 C ATOM 716 CE2 TYR A 45 -1.953 5.963 9.964 1.00 64.22 C ATOM 717 CZ TYR A 45 -0.665 6.058 9.543 1.00 21.42 C ATOM 718 OH TYR A 45 0.144 7.050 10.058 1.00 73.35 O ATOM 0 H TYR A 45 -4.849 1.595 6.597 1.00 50.32 H new ATOM 0 HA TYR A 45 -5.075 4.146 7.760 1.00 72.34 H new ATOM 0 HB2 TYR A 45 -3.694 2.433 8.794 1.00 14.10 H new ATOM 0 HB3 TYR A 45 -2.686 2.303 7.366 1.00 14.10 H new ATOM 0 HD1 TYR A 45 -0.630 3.494 7.373 1.00 4.15 H new ATOM 0 HD2 TYR A 45 -3.801 4.924 9.807 1.00 31.31 H new ATOM 0 HE1 TYR A 45 0.844 5.247 8.273 1.00 62.41 H new ATOM 0 HE2 TYR A 45 -2.331 6.661 10.696 1.00 64.22 H new ATOM 0 HH TYR A 45 1.080 6.849 9.850 1.00 73.35 H new ATOM 728 N LEU A 46 -3.157 3.970 5.079 1.00 20.32 N ATOM 729 CA LEU A 46 -2.517 4.809 4.071 1.00 75.24 C ATOM 730 C LEU A 46 -3.509 5.634 3.264 1.00 22.22 C ATOM 731 O LEU A 46 -3.218 6.769 2.903 1.00 71.54 O ATOM 732 CB LEU A 46 -1.518 4.061 3.164 1.00 53.22 C ATOM 733 CG LEU A 46 -0.186 3.587 3.809 1.00 55.12 C ATOM 734 CD1 LEU A 46 -0.387 2.500 4.833 1.00 1.13 C ATOM 735 CD2 LEU A 46 0.798 3.153 2.747 1.00 11.44 C ATOM 0 H LEU A 46 -3.024 2.967 4.952 1.00 20.32 H new ATOM 0 HA LEU A 46 -1.917 5.511 4.650 1.00 75.24 H new ATOM 0 HB2 LEU A 46 -2.024 3.187 2.754 1.00 53.22 H new ATOM 0 HB3 LEU A 46 -1.273 4.711 2.324 1.00 53.22 H new ATOM 0 HG LEU A 46 0.227 4.443 4.342 1.00 55.12 H new ATOM 0 HD11 LEU A 46 0.578 2.209 5.249 1.00 1.13 H new ATOM 0 HD12 LEU A 46 -1.031 2.867 5.632 1.00 1.13 H new ATOM 0 HD13 LEU A 46 -0.853 1.636 4.360 1.00 1.13 H new ATOM 0 HD21 LEU A 46 1.723 2.825 3.221 1.00 11.44 H new ATOM 0 HD22 LEU A 46 0.373 2.330 2.172 1.00 11.44 H new ATOM 0 HD23 LEU A 46 1.008 3.990 2.082 1.00 11.44 H new ATOM 747 N LEU A 47 -4.682 5.080 3.006 1.00 53.45 N ATOM 748 CA LEU A 47 -5.689 5.790 2.227 1.00 75.50 C ATOM 749 C LEU A 47 -6.469 6.829 3.059 1.00 15.23 C ATOM 750 O LEU A 47 -7.334 7.516 2.525 1.00 14.21 O ATOM 751 CB LEU A 47 -6.662 4.816 1.543 1.00 24.15 C ATOM 752 CG LEU A 47 -6.054 3.835 0.524 1.00 41.51 C ATOM 753 CD1 LEU A 47 -7.135 2.951 -0.074 1.00 31.42 C ATOM 754 CD2 LEU A 47 -5.315 4.578 -0.579 1.00 24.03 C ATOM 0 H LEU A 47 -4.961 4.150 3.320 1.00 53.45 H new ATOM 0 HA LEU A 47 -5.142 6.336 1.459 1.00 75.50 H new ATOM 0 HB2 LEU A 47 -7.163 4.235 2.317 1.00 24.15 H new ATOM 0 HB3 LEU A 47 -7.430 5.401 1.036 1.00 24.15 H new ATOM 0 HG LEU A 47 -5.337 3.207 1.052 1.00 41.51 H new ATOM 0 HD11 LEU A 47 -6.687 2.264 -0.792 1.00 31.42 H new ATOM 0 HD12 LEU A 47 -7.620 2.382 0.719 1.00 31.42 H new ATOM 0 HD13 LEU A 47 -7.875 3.572 -0.579 1.00 31.42 H new ATOM 0 HD21 LEU A 47 -4.896 3.860 -1.284 1.00 24.03 H new ATOM 0 HD22 LEU A 47 -6.008 5.237 -1.101 1.00 24.03 H new ATOM 0 HD23 LEU A 47 -4.510 5.170 -0.143 1.00 24.03 H new ATOM 766 N SER A 48 -6.184 6.942 4.351 1.00 12.32 N ATOM 767 CA SER A 48 -6.873 7.941 5.162 1.00 13.43 C ATOM 768 C SER A 48 -5.892 8.816 5.953 1.00 63.43 C ATOM 769 O SER A 48 -6.197 9.971 6.286 1.00 5.45 O ATOM 770 CB SER A 48 -7.810 7.237 6.128 1.00 22.04 C ATOM 771 OG SER A 48 -7.078 6.341 6.942 1.00 24.44 O ATOM 0 H SER A 48 -5.500 6.372 4.850 1.00 12.32 H new ATOM 0 HA SER A 48 -7.431 8.593 4.490 1.00 13.43 H new ATOM 0 HB2 SER A 48 -8.323 7.970 6.750 1.00 22.04 H new ATOM 0 HB3 SER A 48 -8.577 6.695 5.575 1.00 22.04 H new ATOM 0 HG SER A 48 -7.699 5.762 7.432 1.00 24.44 H new ATOM 777 N GLY A 49 -4.723 8.273 6.238 1.00 71.25 N ATOM 778 CA GLY A 49 -3.720 8.985 6.982 1.00 60.33 C ATOM 779 C GLY A 49 -3.914 8.873 8.487 1.00 55.34 C ATOM 780 O GLY A 49 -3.021 9.236 9.258 1.00 62.32 O ATOM 0 H GLY A 49 -4.450 7.331 5.959 1.00 71.25 H new ATOM 0 HA2 GLY A 49 -2.735 8.600 6.717 1.00 60.33 H new ATOM 0 HA3 GLY A 49 -3.739 10.036 6.695 1.00 60.33 H new ATOM 784 N ASP A 50 -5.041 8.312 8.900 1.00 31.43 N ATOM 785 CA ASP A 50 -5.434 8.319 10.309 1.00 41.34 C ATOM 786 C ASP A 50 -4.952 7.071 11.058 1.00 63.40 C ATOM 787 O ASP A 50 -5.321 5.951 10.716 1.00 74.21 O ATOM 788 CB ASP A 50 -6.944 8.469 10.428 1.00 20.14 C ATOM 789 CG ASP A 50 -7.387 8.700 11.846 1.00 23.31 C ATOM 790 OD1 ASP A 50 -7.984 7.801 12.449 1.00 53.31 O ATOM 791 OD2 ASP A 50 -7.131 9.806 12.384 1.00 33.20 O ATOM 0 H ASP A 50 -5.703 7.844 8.281 1.00 31.43 H new ATOM 0 HA ASP A 50 -4.948 9.174 10.780 1.00 41.34 H new ATOM 0 HB2 ASP A 50 -7.274 9.302 9.807 1.00 20.14 H new ATOM 0 HB3 ASP A 50 -7.427 7.572 10.041 1.00 20.14 H new ATOM 796 N PRO A 51 -4.120 7.265 12.117 1.00 23.41 N ATOM 797 CA PRO A 51 -3.486 6.171 12.898 1.00 13.35 C ATOM 798 C PRO A 51 -4.445 5.165 13.529 1.00 63.50 C ATOM 799 O PRO A 51 -4.049 4.028 13.811 1.00 43.43 O ATOM 800 CB PRO A 51 -2.670 6.885 13.972 1.00 31.20 C ATOM 801 CG PRO A 51 -3.186 8.283 14.007 1.00 74.21 C ATOM 802 CD PRO A 51 -3.718 8.586 12.637 1.00 2.01 C ATOM 0 HA PRO A 51 -2.894 5.551 12.225 1.00 13.35 H new ATOM 0 HB2 PRO A 51 -2.788 6.400 14.941 1.00 31.20 H new ATOM 0 HB3 PRO A 51 -1.607 6.866 13.733 1.00 31.20 H new ATOM 0 HG2 PRO A 51 -3.970 8.387 14.757 1.00 74.21 H new ATOM 0 HG3 PRO A 51 -2.393 8.981 14.276 1.00 74.21 H new ATOM 0 HD2 PRO A 51 -4.563 9.274 12.679 1.00 2.01 H new ATOM 0 HD3 PRO A 51 -2.960 9.050 12.007 1.00 2.01 H new ATOM 810 N ALA A 52 -5.692 5.576 13.754 1.00 13.12 N ATOM 811 CA ALA A 52 -6.699 4.736 14.416 1.00 74.54 C ATOM 812 C ALA A 52 -6.945 3.389 13.699 1.00 62.51 C ATOM 813 O ALA A 52 -7.598 2.502 14.251 1.00 12.13 O ATOM 814 CB ALA A 52 -7.998 5.495 14.583 1.00 23.55 C ATOM 0 H ALA A 52 -6.036 6.498 13.485 1.00 13.12 H new ATOM 0 HA ALA A 52 -6.294 4.490 15.398 1.00 74.54 H new ATOM 0 HB1 ALA A 52 -8.732 4.857 15.075 1.00 23.55 H new ATOM 0 HB2 ALA A 52 -7.825 6.384 15.190 1.00 23.55 H new ATOM 0 HB3 ALA A 52 -8.374 5.792 13.604 1.00 23.55 H new ATOM 820 N TYR A 53 -6.447 3.252 12.481 1.00 12.45 N ATOM 821 CA TYR A 53 -6.557 2.007 11.740 1.00 5.22 C ATOM 822 C TYR A 53 -5.669 0.899 12.270 1.00 31.43 C ATOM 823 O TYR A 53 -5.945 -0.268 12.036 1.00 70.53 O ATOM 824 CB TYR A 53 -6.315 2.209 10.261 1.00 51.41 C ATOM 825 CG TYR A 53 -7.489 2.812 9.601 1.00 34.14 C ATOM 826 CD1 TYR A 53 -8.489 2.006 9.112 1.00 32.25 C ATOM 827 CD2 TYR A 53 -7.626 4.170 9.484 1.00 3.53 C ATOM 828 CE1 TYR A 53 -9.594 2.530 8.523 1.00 21.31 C ATOM 829 CE2 TYR A 53 -8.731 4.711 8.893 1.00 55.20 C ATOM 830 CZ TYR A 53 -9.719 3.887 8.409 1.00 41.52 C ATOM 831 OH TYR A 53 -10.842 4.429 7.815 1.00 24.20 O ATOM 0 H TYR A 53 -5.959 3.995 11.981 1.00 12.45 H new ATOM 0 HA TYR A 53 -7.587 1.682 11.888 1.00 5.22 H new ATOM 0 HB2 TYR A 53 -5.445 2.850 10.117 1.00 51.41 H new ATOM 0 HB3 TYR A 53 -6.085 1.251 9.794 1.00 51.41 H new ATOM 0 HD1 TYR A 53 -8.394 0.934 9.198 1.00 32.25 H new ATOM 0 HD2 TYR A 53 -6.851 4.820 9.864 1.00 3.53 H new ATOM 0 HE1 TYR A 53 -10.370 1.879 8.147 1.00 21.31 H new ATOM 0 HE2 TYR A 53 -8.829 5.783 8.806 1.00 55.20 H new ATOM 0 HH TYR A 53 -10.773 5.407 7.816 1.00 24.20 H new ATOM 841 N ILE A 54 -4.602 1.239 12.961 1.00 12.10 N ATOM 842 CA ILE A 54 -3.730 0.207 13.489 1.00 43.11 C ATOM 843 C ILE A 54 -3.984 0.002 14.984 1.00 51.51 C ATOM 844 O ILE A 54 -3.779 0.925 15.791 1.00 72.31 O ATOM 845 CB ILE A 54 -2.217 0.510 13.234 1.00 5.14 C ATOM 846 CG1 ILE A 54 -1.957 0.713 11.726 1.00 4.33 C ATOM 847 CG2 ILE A 54 -1.342 -0.626 13.772 1.00 12.41 C ATOM 848 CD1 ILE A 54 -2.325 -0.479 10.851 1.00 60.43 C ATOM 0 H ILE A 54 -4.320 2.197 13.168 1.00 12.10 H new ATOM 0 HA ILE A 54 -3.969 -0.712 12.953 1.00 43.11 H new ATOM 0 HB ILE A 54 -1.957 1.428 13.762 1.00 5.14 H new ATOM 0 HG12 ILE A 54 -2.520 1.583 11.388 1.00 4.33 H new ATOM 0 HG13 ILE A 54 -0.901 0.941 11.581 1.00 4.33 H new ATOM 0 HG21 ILE A 54 -0.293 -0.397 13.585 1.00 12.41 H new ATOM 0 HG22 ILE A 54 -1.505 -0.734 14.844 1.00 12.41 H new ATOM 0 HG23 ILE A 54 -1.605 -1.557 13.270 1.00 12.41 H new ATOM 0 HD11 ILE A 54 -2.108 -0.246 9.809 1.00 60.43 H new ATOM 0 HD12 ILE A 54 -1.743 -1.348 11.157 1.00 60.43 H new ATOM 0 HD13 ILE A 54 -3.387 -0.697 10.961 1.00 60.43 H new ATOM 860 N PRO A 55 -4.466 -1.199 15.370 1.00 35.30 N ATOM 861 CA PRO A 55 -4.694 -1.541 16.766 1.00 41.00 C ATOM 862 C PRO A 55 -3.376 -1.660 17.509 1.00 21.43 C ATOM 863 O PRO A 55 -2.358 -2.119 16.950 1.00 52.02 O ATOM 864 CB PRO A 55 -5.387 -2.909 16.733 1.00 34.42 C ATOM 865 CG PRO A 55 -5.696 -3.184 15.303 1.00 51.23 C ATOM 866 CD PRO A 55 -4.820 -2.297 14.473 1.00 1.01 C ATOM 0 HA PRO A 55 -5.287 -0.781 17.274 1.00 41.00 H new ATOM 0 HB2 PRO A 55 -4.741 -3.683 17.147 1.00 34.42 H new ATOM 0 HB3 PRO A 55 -6.297 -2.899 17.333 1.00 34.42 H new ATOM 0 HG2 PRO A 55 -5.514 -4.232 15.066 1.00 51.23 H new ATOM 0 HG3 PRO A 55 -6.748 -2.988 15.094 1.00 51.23 H new ATOM 0 HD2 PRO A 55 -3.934 -2.827 14.124 1.00 1.01 H new ATOM 0 HD3 PRO A 55 -5.344 -1.935 13.588 1.00 1.01 H new ATOM 874 N ARG A 56 -3.382 -1.291 18.748 1.00 53.05 N ATOM 875 CA ARG A 56 -2.179 -1.266 19.504 1.00 42.44 C ATOM 876 C ARG A 56 -1.860 -2.566 20.225 1.00 53.21 C ATOM 877 O ARG A 56 -2.089 -2.715 21.430 1.00 4.03 O ATOM 878 CB ARG A 56 -2.069 -0.030 20.394 1.00 34.34 C ATOM 879 CG ARG A 56 -3.252 0.215 21.305 1.00 75.14 C ATOM 880 CD ARG A 56 -3.039 1.481 22.086 1.00 20.45 C ATOM 881 NE ARG A 56 -4.182 1.835 22.910 1.00 62.52 N ATOM 882 CZ ARG A 56 -4.190 2.871 23.747 1.00 61.34 C ATOM 883 NH1 ARG A 56 -3.104 3.639 23.863 1.00 53.23 N ATOM 884 NH2 ARG A 56 -5.275 3.147 24.452 1.00 11.23 N ATOM 0 H ARG A 56 -4.216 -1.001 19.259 1.00 53.05 H new ATOM 0 HA ARG A 56 -1.383 -1.177 18.764 1.00 42.44 H new ATOM 0 HB2 ARG A 56 -1.172 -0.122 21.006 1.00 34.34 H new ATOM 0 HB3 ARG A 56 -1.933 0.845 19.758 1.00 34.34 H new ATOM 0 HG2 ARG A 56 -4.167 0.289 20.717 1.00 75.14 H new ATOM 0 HG3 ARG A 56 -3.379 -0.626 21.986 1.00 75.14 H new ATOM 0 HD2 ARG A 56 -2.161 1.367 22.721 1.00 20.45 H new ATOM 0 HD3 ARG A 56 -2.829 2.297 21.395 1.00 20.45 H new ATOM 0 HE ARG A 56 -5.022 1.260 22.844 1.00 62.52 H new ATOM 0 HH11 ARG A 56 -2.271 3.432 23.311 1.00 53.23 H new ATOM 0 HH12 ARG A 56 -3.107 4.433 24.503 1.00 53.23 H new ATOM 0 HH21 ARG A 56 -6.108 2.566 24.355 1.00 11.23 H new ATOM 0 HH22 ARG A 56 -5.279 3.941 25.092 1.00 11.23 H new ATOM 898 N TYR A 57 -1.439 -3.538 19.444 1.00 61.34 N ATOM 899 CA TYR A 57 -0.883 -4.764 19.982 1.00 41.14 C ATOM 900 C TYR A 57 0.574 -4.558 20.341 1.00 12.25 C ATOM 901 O TYR A 57 1.067 -5.104 21.325 1.00 71.32 O ATOM 902 CB TYR A 57 -1.006 -5.918 18.973 1.00 71.23 C ATOM 903 CG TYR A 57 -0.261 -7.175 19.399 1.00 63.15 C ATOM 904 CD1 TYR A 57 -0.797 -8.046 20.331 1.00 64.24 C ATOM 905 CD2 TYR A 57 0.999 -7.462 18.884 1.00 4.24 C ATOM 906 CE1 TYR A 57 -0.113 -9.167 20.733 1.00 40.31 C ATOM 907 CE2 TYR A 57 1.695 -8.577 19.285 1.00 60.31 C ATOM 908 CZ TYR A 57 1.133 -9.431 20.209 1.00 21.12 C ATOM 909 OH TYR A 57 1.827 -10.547 20.627 1.00 53.15 O ATOM 0 H TYR A 57 -1.471 -3.503 18.425 1.00 61.34 H new ATOM 0 HA TYR A 57 -1.447 -5.026 20.877 1.00 41.14 H new ATOM 0 HB2 TYR A 57 -2.060 -6.159 18.834 1.00 71.23 H new ATOM 0 HB3 TYR A 57 -0.624 -5.588 18.007 1.00 71.23 H new ATOM 0 HD1 TYR A 57 -1.771 -7.841 20.750 1.00 64.24 H new ATOM 0 HD2 TYR A 57 1.438 -6.796 18.156 1.00 4.24 H new ATOM 0 HE1 TYR A 57 -0.550 -9.839 21.457 1.00 40.31 H new ATOM 0 HE2 TYR A 57 2.675 -8.782 18.879 1.00 60.31 H new ATOM 0 HH TYR A 57 2.688 -10.590 20.161 1.00 53.15 H new ATOM 919 N GLN A 58 1.251 -3.770 19.549 1.00 12.43 N ATOM 920 CA GLN A 58 2.657 -3.561 19.726 1.00 63.12 C ATOM 921 C GLN A 58 2.975 -2.118 19.303 1.00 23.55 C ATOM 922 O GLN A 58 2.080 -1.406 18.811 1.00 61.34 O ATOM 923 CB GLN A 58 3.426 -4.587 18.847 1.00 73.44 C ATOM 924 CG GLN A 58 4.922 -4.688 19.123 1.00 11.14 C ATOM 925 CD GLN A 58 5.649 -5.630 18.185 1.00 52.14 C ATOM 926 OE1 GLN A 58 4.987 -6.664 17.732 1.00 14.41 O flip ATOM 927 NE2 GLN A 58 6.818 -5.423 17.891 1.00 62.11 N flip ATOM 0 H GLN A 58 0.842 -3.258 18.767 1.00 12.43 H new ATOM 0 HA GLN A 58 2.958 -3.704 20.764 1.00 63.12 H new ATOM 0 HB2 GLN A 58 2.979 -5.571 18.991 1.00 73.44 H new ATOM 0 HB3 GLN A 58 3.283 -4.322 17.799 1.00 73.44 H new ATOM 0 HG2 GLN A 58 5.366 -3.695 19.044 1.00 11.14 H new ATOM 0 HG3 GLN A 58 5.072 -5.023 20.149 1.00 11.14 H new ATOM 0 HE21 GLN A 58 7.301 -4.606 18.264 1.00 62.11 H new ATOM 0 HE22 GLN A 58 7.310 -6.068 17.273 1.00 62.11 H new ATOM 936 N ASP A 59 4.234 -1.710 19.460 1.00 20.12 N ATOM 937 CA ASP A 59 4.729 -0.350 19.119 1.00 62.35 C ATOM 938 C ASP A 59 4.544 -0.044 17.641 1.00 74.23 C ATOM 939 O ASP A 59 4.722 1.083 17.217 1.00 52.15 O ATOM 940 CB ASP A 59 6.216 -0.205 19.432 1.00 3.34 C ATOM 941 CG ASP A 59 6.601 -0.693 20.802 1.00 23.01 C ATOM 942 OD1 ASP A 59 6.943 -1.895 20.925 1.00 13.43 O ATOM 943 OD2 ASP A 59 6.578 0.097 21.767 1.00 2.42 O ATOM 0 H ASP A 59 4.963 -2.317 19.834 1.00 20.12 H new ATOM 0 HA ASP A 59 4.145 0.345 19.723 1.00 62.35 H new ATOM 0 HB2 ASP A 59 6.790 -0.756 18.686 1.00 3.34 H new ATOM 0 HB3 ASP A 59 6.496 0.844 19.339 1.00 3.34 H new ATOM 948 N ALA A 60 4.216 -1.071 16.865 1.00 52.14 N ATOM 949 CA ALA A 60 4.033 -0.989 15.416 1.00 72.55 C ATOM 950 C ALA A 60 3.124 0.173 15.000 1.00 51.52 C ATOM 951 O ALA A 60 3.344 0.785 13.963 1.00 41.33 O ATOM 952 CB ALA A 60 3.469 -2.302 14.901 1.00 30.22 C ATOM 0 H ALA A 60 4.065 -2.010 17.234 1.00 52.14 H new ATOM 0 HA ALA A 60 5.011 -0.800 14.973 1.00 72.55 H new ATOM 0 HB1 ALA A 60 3.333 -2.241 13.821 1.00 30.22 H new ATOM 0 HB2 ALA A 60 4.161 -3.111 15.134 1.00 30.22 H new ATOM 0 HB3 ALA A 60 2.508 -2.497 15.378 1.00 30.22 H new ATOM 958 N ARG A 61 2.129 0.487 15.818 1.00 22.44 N ATOM 959 CA ARG A 61 1.239 1.599 15.529 1.00 54.10 C ATOM 960 C ARG A 61 2.003 2.938 15.566 1.00 41.11 C ATOM 961 O ARG A 61 1.700 3.857 14.826 1.00 71.22 O ATOM 962 CB ARG A 61 -0.028 1.566 16.445 1.00 42.22 C ATOM 963 CG ARG A 61 0.182 1.760 17.961 1.00 21.55 C ATOM 964 CD ARG A 61 0.378 3.223 18.337 1.00 64.44 C ATOM 965 NE ARG A 61 -0.780 4.027 17.931 1.00 43.42 N ATOM 966 CZ ARG A 61 -0.797 5.355 17.784 1.00 30.14 C ATOM 967 NH1 ARG A 61 0.258 6.085 18.123 1.00 65.34 N ATOM 968 NH2 ARG A 61 -1.902 5.948 17.336 1.00 4.34 N ATOM 0 H ARG A 61 1.920 -0.011 16.683 1.00 22.44 H new ATOM 0 HA ARG A 61 0.864 1.496 14.511 1.00 54.10 H new ATOM 0 HB2 ARG A 61 -0.713 2.340 16.099 1.00 42.22 H new ATOM 0 HB3 ARG A 61 -0.527 0.608 16.295 1.00 42.22 H new ATOM 0 HG2 ARG A 61 -0.679 1.362 18.498 1.00 21.55 H new ATOM 0 HG3 ARG A 61 1.051 1.186 18.281 1.00 21.55 H new ATOM 0 HD2 ARG A 61 0.526 3.309 19.413 1.00 64.44 H new ATOM 0 HD3 ARG A 61 1.279 3.608 17.859 1.00 64.44 H new ATOM 0 HE ARG A 61 -1.650 3.528 17.744 1.00 43.42 H new ATOM 0 HH11 ARG A 61 1.091 5.633 18.499 1.00 65.34 H new ATOM 0 HH12 ARG A 61 0.236 7.098 18.007 1.00 65.34 H new ATOM 0 HH21 ARG A 61 -2.724 5.389 17.109 1.00 4.34 H new ATOM 0 HH22 ARG A 61 -1.926 6.961 17.220 1.00 4.34 H new ATOM 982 N ASN A 62 2.990 3.029 16.449 1.00 31.41 N ATOM 983 CA ASN A 62 3.827 4.218 16.542 1.00 54.24 C ATOM 984 C ASN A 62 4.837 4.209 15.397 1.00 54.52 C ATOM 985 O ASN A 62 5.167 5.240 14.826 1.00 31.52 O ATOM 986 CB ASN A 62 4.565 4.280 17.888 1.00 21.53 C ATOM 987 CG ASN A 62 5.233 5.635 18.119 1.00 51.23 C ATOM 988 OD1 ASN A 62 4.763 6.659 17.629 1.00 60.33 O ATOM 989 ND2 ASN A 62 6.309 5.651 18.867 1.00 64.23 N ATOM 0 H ASN A 62 3.230 2.292 17.112 1.00 31.41 H new ATOM 0 HA ASN A 62 3.188 5.098 16.472 1.00 54.24 H new ATOM 0 HB2 ASN A 62 3.861 4.082 18.696 1.00 21.53 H new ATOM 0 HB3 ASN A 62 5.320 3.494 17.923 1.00 21.53 H new ATOM 0 HD21 ASN A 62 6.784 6.533 19.059 1.00 64.23 H new ATOM 0 HD22 ASN A 62 6.672 4.781 19.258 1.00 64.23 H new ATOM 996 N LEU A 63 5.313 3.009 15.059 1.00 63.14 N ATOM 997 CA LEU A 63 6.283 2.822 13.976 1.00 34.42 C ATOM 998 C LEU A 63 5.696 3.255 12.638 1.00 42.12 C ATOM 999 O LEU A 63 6.375 3.883 11.820 1.00 33.12 O ATOM 1000 CB LEU A 63 6.742 1.351 13.886 1.00 22.21 C ATOM 1001 CG LEU A 63 7.422 0.752 15.127 1.00 71.10 C ATOM 1002 CD1 LEU A 63 7.807 -0.700 14.878 1.00 2.21 C ATOM 1003 CD2 LEU A 63 8.650 1.555 15.507 1.00 3.04 C ATOM 0 H LEU A 63 5.040 2.144 15.525 1.00 63.14 H new ATOM 0 HA LEU A 63 7.147 3.446 14.204 1.00 34.42 H new ATOM 0 HB2 LEU A 63 5.872 0.739 13.649 1.00 22.21 H new ATOM 0 HB3 LEU A 63 7.432 1.263 13.047 1.00 22.21 H new ATOM 0 HG LEU A 63 6.711 0.791 15.952 1.00 71.10 H new ATOM 0 HD11 LEU A 63 8.287 -1.107 15.768 1.00 2.21 H new ATOM 0 HD12 LEU A 63 6.912 -1.280 14.651 1.00 2.21 H new ATOM 0 HD13 LEU A 63 8.498 -0.754 14.036 1.00 2.21 H new ATOM 0 HD21 LEU A 63 9.115 1.113 16.388 1.00 3.04 H new ATOM 0 HD22 LEU A 63 9.360 1.548 14.680 1.00 3.04 H new ATOM 0 HD23 LEU A 63 8.359 2.582 15.727 1.00 3.04 H new ATOM 1015 N ILE A 64 4.423 2.948 12.424 1.00 51.42 N ATOM 1016 CA ILE A 64 3.760 3.274 11.168 1.00 12.33 C ATOM 1017 C ILE A 64 3.473 4.801 11.103 1.00 11.15 C ATOM 1018 O ILE A 64 3.150 5.351 10.052 1.00 54.35 O ATOM 1019 CB ILE A 64 2.465 2.413 10.970 1.00 25.32 C ATOM 1020 CG1 ILE A 64 1.976 2.460 9.518 1.00 33.40 C ATOM 1021 CG2 ILE A 64 1.360 2.877 11.908 1.00 51.45 C ATOM 1022 CD1 ILE A 64 0.796 1.542 9.242 1.00 72.44 C ATOM 0 H ILE A 64 3.829 2.474 13.104 1.00 51.42 H new ATOM 0 HA ILE A 64 4.423 3.025 10.340 1.00 12.33 H new ATOM 0 HB ILE A 64 2.721 1.381 11.209 1.00 25.32 H new ATOM 0 HG12 ILE A 64 1.694 3.484 9.271 1.00 33.40 H new ATOM 0 HG13 ILE A 64 2.799 2.188 8.857 1.00 33.40 H new ATOM 0 HG21 ILE A 64 0.471 2.266 11.753 1.00 51.45 H new ATOM 0 HG22 ILE A 64 1.694 2.777 12.941 1.00 51.45 H new ATOM 0 HG23 ILE A 64 1.123 3.921 11.703 1.00 51.45 H new ATOM 0 HD11 ILE A 64 0.505 1.628 8.195 1.00 72.44 H new ATOM 0 HD12 ILE A 64 1.079 0.511 9.456 1.00 72.44 H new ATOM 0 HD13 ILE A 64 -0.043 1.827 9.877 1.00 72.44 H new ATOM 1034 N ARG A 65 3.625 5.462 12.249 1.00 74.53 N ATOM 1035 CA ARG A 65 3.520 6.906 12.343 1.00 72.31 C ATOM 1036 C ARG A 65 4.851 7.569 12.036 1.00 32.42 C ATOM 1037 O ARG A 65 4.898 8.734 11.673 1.00 3.33 O ATOM 1038 CB ARG A 65 3.057 7.343 13.735 1.00 13.42 C ATOM 1039 CG ARG A 65 1.579 7.166 14.003 1.00 42.30 C ATOM 1040 CD ARG A 65 0.774 8.008 13.030 1.00 74.35 C ATOM 1041 NE ARG A 65 1.222 9.404 13.026 1.00 41.51 N ATOM 1042 CZ ARG A 65 0.874 10.321 12.132 1.00 10.45 C ATOM 1043 NH1 ARG A 65 -0.010 10.034 11.174 1.00 62.03 N ATOM 1044 NH2 ARG A 65 1.417 11.525 12.191 1.00 50.41 N ATOM 0 H ARG A 65 3.825 5.004 13.138 1.00 74.53 H new ATOM 0 HA ARG A 65 2.779 7.219 11.607 1.00 72.31 H new ATOM 0 HB2 ARG A 65 3.616 6.778 14.481 1.00 13.42 H new ATOM 0 HB3 ARG A 65 3.312 8.394 13.873 1.00 13.42 H new ATOM 0 HG2 ARG A 65 1.305 6.116 13.902 1.00 42.30 H new ATOM 0 HG3 ARG A 65 1.349 7.458 15.028 1.00 42.30 H new ATOM 0 HD2 ARG A 65 0.866 7.593 12.026 1.00 74.35 H new ATOM 0 HD3 ARG A 65 -0.282 7.965 13.298 1.00 74.35 H new ATOM 0 HE ARG A 65 1.854 9.695 13.772 1.00 41.51 H new ATOM 0 HH11 ARG A 65 -0.424 9.103 11.125 1.00 62.03 H new ATOM 0 HH12 ARG A 65 -0.271 10.745 10.491 1.00 62.03 H new ATOM 0 HH21 ARG A 65 2.097 11.743 12.919 1.00 50.41 H new ATOM 0 HH22 ARG A 65 1.156 12.236 11.508 1.00 50.41 H new ATOM 1058 N ARG A 66 5.930 6.795 12.138 1.00 43.40 N ATOM 1059 CA ARG A 66 7.286 7.319 11.950 1.00 74.12 C ATOM 1060 C ARG A 66 7.582 7.529 10.488 1.00 12.21 C ATOM 1061 O ARG A 66 8.476 8.294 10.130 1.00 44.41 O ATOM 1062 CB ARG A 66 8.321 6.346 12.509 1.00 63.10 C ATOM 1063 CG ARG A 66 8.259 6.104 14.002 1.00 2.32 C ATOM 1064 CD ARG A 66 8.547 7.368 14.782 1.00 1.53 C ATOM 1065 NE ARG A 66 8.654 7.097 16.208 1.00 41.35 N ATOM 1066 CZ ARG A 66 9.115 7.948 17.119 1.00 33.20 C ATOM 1067 NH1 ARG A 66 9.462 9.177 16.767 1.00 50.10 N ATOM 1068 NH2 ARG A 66 9.241 7.566 18.378 1.00 71.44 N ATOM 0 H ARG A 66 5.893 5.798 12.351 1.00 43.40 H new ATOM 0 HA ARG A 66 7.342 8.270 12.479 1.00 74.12 H new ATOM 0 HB2 ARG A 66 8.205 5.389 12.000 1.00 63.10 H new ATOM 0 HB3 ARG A 66 9.314 6.720 12.262 1.00 63.10 H new ATOM 0 HG2 ARG A 66 7.272 5.727 14.270 1.00 2.32 H new ATOM 0 HG3 ARG A 66 8.980 5.334 14.277 1.00 2.32 H new ATOM 0 HD2 ARG A 66 9.474 7.815 14.424 1.00 1.53 H new ATOM 0 HD3 ARG A 66 7.754 8.095 14.606 1.00 1.53 H new ATOM 0 HE ARG A 66 8.351 6.180 16.535 1.00 41.35 H new ATOM 0 HH11 ARG A 66 9.376 9.473 15.795 1.00 50.10 H new ATOM 0 HH12 ARG A 66 9.815 9.828 17.468 1.00 50.10 H new ATOM 0 HH21 ARG A 66 8.984 6.617 18.651 1.00 71.44 H new ATOM 0 HH22 ARG A 66 9.595 8.220 19.076 1.00 71.44 H new ATOM 1082 N HIS A 67 6.864 6.835 9.659 1.00 51.33 N ATOM 1083 CA HIS A 67 7.024 6.955 8.234 1.00 15.23 C ATOM 1084 C HIS A 67 5.749 7.498 7.662 1.00 72.31 C ATOM 1085 O HIS A 67 4.654 7.066 8.066 1.00 73.41 O ATOM 1086 CB HIS A 67 7.375 5.607 7.585 1.00 14.11 C ATOM 1087 CG HIS A 67 8.700 5.030 8.005 1.00 12.43 C ATOM 1088 ND1 HIS A 67 9.848 5.188 7.276 1.00 44.24 N ATOM 1089 CD2 HIS A 67 9.039 4.263 9.068 1.00 72.22 C ATOM 1090 CE1 HIS A 67 10.834 4.547 7.860 1.00 35.21 C ATOM 1091 NE2 HIS A 67 10.373 3.979 8.952 1.00 54.14 N ATOM 0 H HIS A 67 6.149 6.167 9.947 1.00 51.33 H new ATOM 0 HA HIS A 67 7.853 7.631 8.023 1.00 15.23 H new ATOM 0 HB2 HIS A 67 6.590 4.889 7.824 1.00 14.11 H new ATOM 0 HB3 HIS A 67 7.375 5.730 6.502 1.00 14.11 H new ATOM 0 HD1 HIS A 67 9.926 5.722 6.411 1.00 44.24 H new ATOM 0 HD2 HIS A 67 8.380 3.936 9.859 1.00 72.22 H new ATOM 0 HE1 HIS A 67 11.852 4.495 7.503 1.00 35.21 H new ATOM 1100 N GLU A 68 5.862 8.429 6.757 1.00 21.42 N ATOM 1101 CA GLU A 68 4.707 9.074 6.177 1.00 45.33 C ATOM 1102 C GLU A 68 3.942 8.115 5.274 1.00 1.22 C ATOM 1103 O GLU A 68 4.517 7.190 4.712 1.00 64.34 O ATOM 1104 CB GLU A 68 5.103 10.364 5.456 1.00 4.45 C ATOM 1105 CG GLU A 68 5.674 11.439 6.387 1.00 4.15 C ATOM 1106 CD GLU A 68 4.667 11.919 7.425 1.00 23.24 C ATOM 1107 OE1 GLU A 68 4.678 11.432 8.576 1.00 41.25 O ATOM 1108 OE2 GLU A 68 3.841 12.791 7.096 1.00 43.42 O ATOM 0 H GLU A 68 6.755 8.766 6.397 1.00 21.42 H new ATOM 0 HA GLU A 68 4.030 9.357 6.983 1.00 45.33 H new ATOM 0 HB2 GLU A 68 5.842 10.130 4.690 1.00 4.45 H new ATOM 0 HB3 GLU A 68 4.229 10.766 4.944 1.00 4.45 H new ATOM 0 HG2 GLU A 68 6.552 11.042 6.896 1.00 4.15 H new ATOM 0 HG3 GLU A 68 6.007 12.289 5.791 1.00 4.15 H new ATOM 1115 N ARG A 69 2.644 8.331 5.146 1.00 42.12 N ATOM 1116 CA ARG A 69 1.797 7.433 4.389 1.00 70.22 C ATOM 1117 C ARG A 69 2.186 7.444 2.931 1.00 72.12 C ATOM 1118 O ARG A 69 2.292 6.393 2.304 1.00 72.23 O ATOM 1119 CB ARG A 69 0.290 7.743 4.528 1.00 23.43 C ATOM 1120 CG ARG A 69 -0.388 7.524 5.909 1.00 4.44 C ATOM 1121 CD ARG A 69 -0.028 8.559 7.003 1.00 3.23 C ATOM 1122 NE ARG A 69 1.321 8.402 7.601 1.00 71.23 N ATOM 1123 CZ ARG A 69 1.987 9.395 8.244 1.00 62.45 C ATOM 1124 NH1 ARG A 69 1.484 10.604 8.288 1.00 0.42 N ATOM 1125 NH2 ARG A 69 3.155 9.166 8.805 1.00 24.24 N ATOM 0 H ARG A 69 2.155 9.125 5.559 1.00 42.12 H new ATOM 0 HA ARG A 69 1.956 6.441 4.812 1.00 70.22 H new ATOM 0 HB2 ARG A 69 0.139 8.785 4.246 1.00 23.43 H new ATOM 0 HB3 ARG A 69 -0.242 7.134 3.797 1.00 23.43 H new ATOM 0 HG2 ARG A 69 -1.469 7.532 5.768 1.00 4.44 H new ATOM 0 HG3 ARG A 69 -0.121 6.531 6.271 1.00 4.44 H new ATOM 0 HD2 ARG A 69 -0.104 9.558 6.574 1.00 3.23 H new ATOM 0 HD3 ARG A 69 -0.770 8.496 7.799 1.00 3.23 H new ATOM 0 HE ARG A 69 1.776 7.492 7.524 1.00 71.23 H new ATOM 0 HH11 ARG A 69 0.590 10.801 7.838 1.00 0.42 H new ATOM 0 HH12 ARG A 69 1.987 11.348 8.772 1.00 0.42 H new ATOM 0 HH21 ARG A 69 3.569 8.235 8.759 1.00 24.24 H new ATOM 0 HH22 ARG A 69 3.647 9.920 9.285 1.00 24.24 H new ATOM 1139 N ASP A 70 2.416 8.632 2.401 1.00 35.10 N ATOM 1140 CA ASP A 70 2.843 8.784 1.015 1.00 42.41 C ATOM 1141 C ASP A 70 4.235 8.194 0.824 1.00 74.33 C ATOM 1142 O ASP A 70 4.490 7.526 -0.169 1.00 74.40 O ATOM 1143 CB ASP A 70 2.752 10.256 0.523 1.00 51.51 C ATOM 1144 CG ASP A 70 3.599 11.245 1.309 1.00 74.31 C ATOM 1145 OD1 ASP A 70 4.723 11.560 0.876 1.00 53.24 O ATOM 1146 OD2 ASP A 70 3.132 11.736 2.363 1.00 43.42 O ATOM 0 H ASP A 70 2.315 9.511 2.909 1.00 35.10 H new ATOM 0 HA ASP A 70 2.150 8.223 0.388 1.00 42.41 H new ATOM 0 HB2 ASP A 70 3.053 10.294 -0.524 1.00 51.51 H new ATOM 0 HB3 ASP A 70 1.711 10.575 0.567 1.00 51.51 H new ATOM 1151 N GLU A 71 5.101 8.403 1.819 1.00 51.44 N ATOM 1152 CA GLU A 71 6.465 7.842 1.853 1.00 51.14 C ATOM 1153 C GLU A 71 6.399 6.317 1.665 1.00 10.12 C ATOM 1154 O GLU A 71 7.053 5.740 0.769 1.00 1.33 O ATOM 1155 CB GLU A 71 7.070 8.141 3.229 1.00 50.40 C ATOM 1156 CG GLU A 71 8.478 7.627 3.466 1.00 44.34 C ATOM 1157 CD GLU A 71 8.874 7.730 4.929 1.00 63.33 C ATOM 1158 OE1 GLU A 71 8.326 8.573 5.645 1.00 12.21 O ATOM 1159 OE2 GLU A 71 9.733 6.957 5.377 1.00 62.15 O ATOM 0 H GLU A 71 4.878 8.972 2.635 1.00 51.44 H new ATOM 0 HA GLU A 71 7.069 8.281 1.059 1.00 51.14 H new ATOM 0 HB2 GLU A 71 7.070 9.221 3.376 1.00 50.40 H new ATOM 0 HB3 GLU A 71 6.417 7.715 3.991 1.00 50.40 H new ATOM 0 HG2 GLU A 71 8.546 6.588 3.143 1.00 44.34 H new ATOM 0 HG3 GLU A 71 9.181 8.196 2.858 1.00 44.34 H new ATOM 1166 N ILE A 72 5.592 5.681 2.509 1.00 20.42 N ATOM 1167 CA ILE A 72 5.403 4.244 2.486 1.00 14.23 C ATOM 1168 C ILE A 72 4.772 3.796 1.170 1.00 43.44 C ATOM 1169 O ILE A 72 5.247 2.857 0.536 1.00 41.31 O ATOM 1170 CB ILE A 72 4.500 3.767 3.666 1.00 21.01 C ATOM 1171 CG1 ILE A 72 5.120 4.143 5.021 1.00 23.23 C ATOM 1172 CG2 ILE A 72 4.257 2.258 3.592 1.00 34.52 C ATOM 1173 CD1 ILE A 72 4.275 3.743 6.219 1.00 61.32 C ATOM 0 H ILE A 72 5.050 6.156 3.231 1.00 20.42 H new ATOM 0 HA ILE A 72 6.391 3.794 2.589 1.00 14.23 H new ATOM 0 HB ILE A 72 3.540 4.275 3.576 1.00 21.01 H new ATOM 0 HG12 ILE A 72 6.098 3.670 5.105 1.00 23.23 H new ATOM 0 HG13 ILE A 72 5.283 5.220 5.048 1.00 23.23 H new ATOM 0 HG21 ILE A 72 3.625 1.950 4.425 1.00 34.52 H new ATOM 0 HG22 ILE A 72 3.762 2.015 2.652 1.00 34.52 H new ATOM 0 HG23 ILE A 72 5.211 1.733 3.646 1.00 34.52 H new ATOM 0 HD11 ILE A 72 4.780 4.043 7.137 1.00 61.32 H new ATOM 0 HD12 ILE A 72 3.305 4.237 6.161 1.00 61.32 H new ATOM 0 HD13 ILE A 72 4.133 2.662 6.219 1.00 61.32 H new ATOM 1185 N MET A 73 3.722 4.499 0.757 1.00 1.54 N ATOM 1186 CA MET A 73 2.947 4.127 -0.424 1.00 0.14 C ATOM 1187 C MET A 73 3.835 4.176 -1.678 1.00 64.53 C ATOM 1188 O MET A 73 3.783 3.266 -2.522 1.00 5.32 O ATOM 1189 CB MET A 73 1.712 5.046 -0.557 1.00 1.10 C ATOM 1190 CG MET A 73 0.588 4.538 -1.477 1.00 5.41 C ATOM 1191 SD MET A 73 1.047 4.349 -3.206 1.00 64.35 S ATOM 1192 CE MET A 73 -0.488 3.758 -3.886 1.00 44.10 C ATOM 0 H MET A 73 3.385 5.339 1.228 1.00 1.54 H new ATOM 0 HA MET A 73 2.588 3.103 -0.316 1.00 0.14 H new ATOM 0 HB2 MET A 73 1.295 5.207 0.437 1.00 1.10 H new ATOM 0 HB3 MET A 73 2.044 6.017 -0.925 1.00 1.10 H new ATOM 0 HG2 MET A 73 0.239 3.576 -1.102 1.00 5.41 H new ATOM 0 HG3 MET A 73 -0.253 5.229 -1.413 1.00 5.41 H new ATOM 0 HE1 MET A 73 -0.625 4.168 -4.886 1.00 44.10 H new ATOM 0 HE2 MET A 73 -0.467 2.670 -3.940 1.00 44.10 H new ATOM 0 HE3 MET A 73 -1.314 4.074 -3.248 1.00 44.10 H new ATOM 1202 N GLU A 74 4.671 5.214 -1.783 1.00 4.41 N ATOM 1203 CA GLU A 74 5.613 5.311 -2.889 1.00 2.24 C ATOM 1204 C GLU A 74 6.514 4.106 -2.918 1.00 22.42 C ATOM 1205 O GLU A 74 6.714 3.502 -3.962 1.00 30.02 O ATOM 1206 CB GLU A 74 6.483 6.557 -2.797 1.00 54.53 C ATOM 1207 CG GLU A 74 5.769 7.866 -2.982 1.00 11.34 C ATOM 1208 CD GLU A 74 6.725 9.018 -2.884 1.00 54.44 C ATOM 1209 OE1 GLU A 74 7.452 9.275 -3.859 1.00 62.12 O ATOM 1210 OE2 GLU A 74 6.782 9.671 -1.829 1.00 73.21 O ATOM 0 H GLU A 74 4.711 5.988 -1.120 1.00 4.41 H new ATOM 0 HA GLU A 74 5.018 5.367 -3.800 1.00 2.24 H new ATOM 0 HB2 GLU A 74 6.972 6.565 -1.823 1.00 54.53 H new ATOM 0 HB3 GLU A 74 7.270 6.484 -3.548 1.00 54.53 H new ATOM 0 HG2 GLU A 74 5.275 7.881 -3.953 1.00 11.34 H new ATOM 0 HG3 GLU A 74 4.990 7.970 -2.226 1.00 11.34 H new ATOM 1217 N GLU A 75 7.042 3.744 -1.757 1.00 41.44 N ATOM 1218 CA GLU A 75 7.953 2.621 -1.651 1.00 43.23 C ATOM 1219 C GLU A 75 7.237 1.328 -2.026 1.00 31.44 C ATOM 1220 O GLU A 75 7.806 0.475 -2.703 1.00 72.13 O ATOM 1221 CB GLU A 75 8.527 2.518 -0.245 1.00 5.14 C ATOM 1222 CG GLU A 75 9.678 1.530 -0.122 1.00 51.45 C ATOM 1223 CD GLU A 75 10.871 1.932 -0.971 1.00 72.54 C ATOM 1224 OE1 GLU A 75 10.980 1.487 -2.141 1.00 41.41 O ATOM 1225 OE2 GLU A 75 11.716 2.697 -0.487 1.00 21.15 O ATOM 0 H GLU A 75 6.852 4.217 -0.873 1.00 41.44 H new ATOM 0 HA GLU A 75 8.779 2.783 -2.344 1.00 43.23 H new ATOM 0 HB2 GLU A 75 8.871 3.503 0.070 1.00 5.14 H new ATOM 0 HB3 GLU A 75 7.733 2.223 0.441 1.00 5.14 H new ATOM 0 HG2 GLU A 75 9.984 1.459 0.922 1.00 51.45 H new ATOM 0 HG3 GLU A 75 9.338 0.539 -0.422 1.00 51.45 H new ATOM 1232 N LEU A 76 5.974 1.205 -1.598 1.00 4.32 N ATOM 1233 CA LEU A 76 5.160 0.038 -1.931 1.00 0.53 C ATOM 1234 C LEU A 76 5.050 -0.093 -3.433 1.00 63.34 C ATOM 1235 O LEU A 76 5.321 -1.153 -3.983 1.00 41.23 O ATOM 1236 CB LEU A 76 3.738 0.141 -1.340 1.00 4.22 C ATOM 1237 CG LEU A 76 3.609 0.248 0.180 1.00 24.54 C ATOM 1238 CD1 LEU A 76 2.147 0.335 0.577 1.00 1.20 C ATOM 1239 CD2 LEU A 76 4.265 -0.929 0.863 1.00 20.32 C ATOM 0 H LEU A 76 5.498 1.900 -1.022 1.00 4.32 H new ATOM 0 HA LEU A 76 5.650 -0.836 -1.502 1.00 0.53 H new ATOM 0 HB2 LEU A 76 3.253 1.012 -1.780 1.00 4.22 H new ATOM 0 HB3 LEU A 76 3.175 -0.734 -1.664 1.00 4.22 H new ATOM 0 HG LEU A 76 4.119 1.156 0.501 1.00 24.54 H new ATOM 0 HD11 LEU A 76 2.068 0.411 1.662 1.00 1.20 H new ATOM 0 HD12 LEU A 76 1.697 1.215 0.118 1.00 1.20 H new ATOM 0 HD13 LEU A 76 1.624 -0.559 0.237 1.00 1.20 H new ATOM 0 HD21 LEU A 76 4.159 -0.828 1.943 1.00 20.32 H new ATOM 0 HD22 LEU A 76 3.787 -1.852 0.536 1.00 20.32 H new ATOM 0 HD23 LEU A 76 5.323 -0.957 0.603 1.00 20.32 H new ATOM 1251 N THR A 77 4.692 1.007 -4.089 1.00 15.10 N ATOM 1252 CA THR A 77 4.542 1.023 -5.522 1.00 33.14 C ATOM 1253 C THR A 77 5.891 0.732 -6.218 1.00 22.42 C ATOM 1254 O THR A 77 5.966 -0.092 -7.138 1.00 62.33 O ATOM 1255 CB THR A 77 3.982 2.390 -5.975 1.00 52.40 C ATOM 1256 OG1 THR A 77 2.759 2.649 -5.263 1.00 53.43 O ATOM 1257 CG2 THR A 77 3.690 2.393 -7.471 1.00 25.20 C ATOM 0 H THR A 77 4.501 1.901 -3.637 1.00 15.10 H new ATOM 0 HA THR A 77 3.840 0.240 -5.809 1.00 33.14 H new ATOM 0 HB THR A 77 4.725 3.159 -5.763 1.00 52.40 H new ATOM 0 HG1 THR A 77 2.967 2.975 -4.363 1.00 53.43 H new ATOM 0 HG21 THR A 77 3.297 3.367 -7.763 1.00 25.20 H new ATOM 0 HG22 THR A 77 4.609 2.193 -8.022 1.00 25.20 H new ATOM 0 HG23 THR A 77 2.955 1.622 -7.700 1.00 25.20 H new ATOM 1265 N LYS A 78 6.947 1.379 -5.741 1.00 72.33 N ATOM 1266 CA LYS A 78 8.279 1.215 -6.305 1.00 2.11 C ATOM 1267 C LYS A 78 8.793 -0.194 -6.191 1.00 45.52 C ATOM 1268 O LYS A 78 9.212 -0.779 -7.171 1.00 73.23 O ATOM 1269 CB LYS A 78 9.280 2.185 -5.687 1.00 53.25 C ATOM 1270 CG LYS A 78 9.004 3.624 -6.024 1.00 73.31 C ATOM 1271 CD LYS A 78 10.013 4.577 -5.408 1.00 42.00 C ATOM 1272 CE LYS A 78 9.975 4.510 -3.904 1.00 72.40 C ATOM 1273 NZ LYS A 78 10.909 5.448 -3.272 1.00 45.20 N ATOM 0 H LYS A 78 6.904 2.029 -4.956 1.00 72.33 H new ATOM 0 HA LYS A 78 8.177 1.444 -7.366 1.00 2.11 H new ATOM 0 HB2 LYS A 78 9.270 2.065 -4.604 1.00 53.25 H new ATOM 0 HB3 LYS A 78 10.283 1.926 -6.027 1.00 53.25 H new ATOM 0 HG2 LYS A 78 9.010 3.746 -7.107 1.00 73.31 H new ATOM 0 HG3 LYS A 78 8.004 3.888 -5.679 1.00 73.31 H new ATOM 0 HD2 LYS A 78 11.014 4.329 -5.761 1.00 42.00 H new ATOM 0 HD3 LYS A 78 9.803 5.595 -5.735 1.00 42.00 H new ATOM 0 HE2 LYS A 78 8.963 4.724 -3.560 1.00 72.40 H new ATOM 0 HE3 LYS A 78 10.212 3.496 -3.583 1.00 72.40 H new ATOM 0 HZ1 LYS A 78 10.842 5.361 -2.238 1.00 45.20 H new ATOM 0 HZ2 LYS A 78 11.879 5.230 -3.576 1.00 45.20 H new ATOM 0 HZ3 LYS A 78 10.669 6.420 -3.553 1.00 45.20 H new ATOM 1287 N TYR A 79 8.750 -0.736 -5.012 1.00 73.24 N ATOM 1288 CA TYR A 79 9.276 -2.066 -4.772 1.00 2.33 C ATOM 1289 C TYR A 79 8.478 -3.112 -5.541 1.00 32.42 C ATOM 1290 O TYR A 79 9.046 -4.061 -6.095 1.00 74.02 O ATOM 1291 CB TYR A 79 9.291 -2.366 -3.283 1.00 53.45 C ATOM 1292 CG TYR A 79 9.941 -3.672 -2.925 1.00 50.43 C ATOM 1293 CD1 TYR A 79 11.305 -3.839 -3.083 1.00 64.32 C ATOM 1294 CD2 TYR A 79 9.204 -4.723 -2.409 1.00 33.13 C ATOM 1295 CE1 TYR A 79 11.920 -5.016 -2.739 1.00 11.24 C ATOM 1296 CE2 TYR A 79 9.808 -5.909 -2.065 1.00 35.42 C ATOM 1297 CZ TYR A 79 11.169 -6.048 -2.231 1.00 12.23 C ATOM 1298 OH TYR A 79 11.784 -7.223 -1.879 1.00 63.21 O ATOM 0 H TYR A 79 8.355 -0.282 -4.188 1.00 73.24 H new ATOM 0 HA TYR A 79 10.303 -2.105 -5.135 1.00 2.33 H new ATOM 0 HB2 TYR A 79 9.812 -1.560 -2.767 1.00 53.45 H new ATOM 0 HB3 TYR A 79 8.265 -2.370 -2.914 1.00 53.45 H new ATOM 0 HD1 TYR A 79 11.896 -3.029 -3.484 1.00 64.32 H new ATOM 0 HD2 TYR A 79 8.138 -4.610 -2.274 1.00 33.13 H new ATOM 0 HE1 TYR A 79 12.986 -5.130 -2.867 1.00 11.24 H new ATOM 0 HE2 TYR A 79 9.221 -6.724 -1.668 1.00 35.42 H new ATOM 0 HH TYR A 79 11.508 -7.478 -0.974 1.00 63.21 H new ATOM 1308 N TYR A 80 7.179 -2.909 -5.594 1.00 41.04 N ATOM 1309 CA TYR A 80 6.273 -3.781 -6.318 1.00 25.24 C ATOM 1310 C TYR A 80 6.686 -3.822 -7.796 1.00 3.44 C ATOM 1311 O TYR A 80 6.808 -4.892 -8.396 1.00 11.42 O ATOM 1312 CB TYR A 80 4.854 -3.219 -6.173 1.00 35.53 C ATOM 1313 CG TYR A 80 3.734 -4.046 -6.748 1.00 71.02 C ATOM 1314 CD1 TYR A 80 3.109 -5.013 -5.976 1.00 52.22 C ATOM 1315 CD2 TYR A 80 3.274 -3.839 -8.040 1.00 14.41 C ATOM 1316 CE1 TYR A 80 2.059 -5.750 -6.472 1.00 30.24 C ATOM 1317 CE2 TYR A 80 2.230 -4.577 -8.548 1.00 12.52 C ATOM 1318 CZ TYR A 80 1.621 -5.531 -7.756 1.00 24.54 C ATOM 1319 OH TYR A 80 0.564 -6.263 -8.254 1.00 42.15 O ATOM 0 H TYR A 80 6.716 -2.127 -5.132 1.00 41.04 H new ATOM 0 HA TYR A 80 6.308 -4.795 -5.920 1.00 25.24 H new ATOM 0 HB2 TYR A 80 4.655 -3.068 -5.112 1.00 35.53 H new ATOM 0 HB3 TYR A 80 4.828 -2.237 -6.645 1.00 35.53 H new ATOM 0 HD1 TYR A 80 3.453 -5.191 -4.968 1.00 52.22 H new ATOM 0 HD2 TYR A 80 3.743 -3.087 -8.657 1.00 14.41 H new ATOM 0 HE1 TYR A 80 1.581 -6.497 -5.856 1.00 30.24 H new ATOM 0 HE2 TYR A 80 1.889 -4.412 -9.559 1.00 12.52 H new ATOM 0 HH TYR A 80 -0.276 -5.797 -8.061 1.00 42.15 H new ATOM 1329 N LEU A 81 6.914 -2.651 -8.360 1.00 73.33 N ATOM 1330 CA LEU A 81 7.315 -2.513 -9.747 1.00 13.22 C ATOM 1331 C LEU A 81 8.759 -2.947 -9.999 1.00 12.13 C ATOM 1332 O LEU A 81 9.056 -3.552 -11.038 1.00 30.21 O ATOM 1333 CB LEU A 81 7.073 -1.093 -10.236 1.00 41.22 C ATOM 1334 CG LEU A 81 5.611 -0.647 -10.238 1.00 24.12 C ATOM 1335 CD1 LEU A 81 5.489 0.788 -10.689 1.00 64.44 C ATOM 1336 CD2 LEU A 81 4.779 -1.556 -11.123 1.00 22.44 C ATOM 0 H LEU A 81 6.826 -1.763 -7.865 1.00 73.33 H new ATOM 0 HA LEU A 81 6.690 -3.194 -10.324 1.00 13.22 H new ATOM 0 HB2 LEU A 81 7.645 -0.408 -9.610 1.00 41.22 H new ATOM 0 HB3 LEU A 81 7.465 -1.002 -11.249 1.00 41.22 H new ATOM 0 HG LEU A 81 5.232 -0.716 -9.218 1.00 24.12 H new ATOM 0 HD11 LEU A 81 4.440 1.083 -10.683 1.00 64.44 H new ATOM 0 HD12 LEU A 81 6.051 1.431 -10.012 1.00 64.44 H new ATOM 0 HD13 LEU A 81 5.888 0.887 -11.699 1.00 64.44 H new ATOM 0 HD21 LEU A 81 3.741 -1.224 -11.112 1.00 22.44 H new ATOM 0 HD22 LEU A 81 5.161 -1.520 -12.143 1.00 22.44 H new ATOM 0 HD23 LEU A 81 4.836 -2.579 -10.750 1.00 22.44 H new ATOM 1348 N ALA A 82 9.651 -2.671 -9.046 1.00 74.10 N ATOM 1349 CA ALA A 82 11.066 -3.023 -9.184 1.00 22.31 C ATOM 1350 C ALA A 82 11.238 -4.527 -9.319 1.00 71.25 C ATOM 1351 O ALA A 82 12.139 -5.007 -9.999 1.00 24.32 O ATOM 1352 CB ALA A 82 11.876 -2.493 -8.010 1.00 44.34 C ATOM 0 H ALA A 82 9.419 -2.204 -8.169 1.00 74.10 H new ATOM 0 HA ALA A 82 11.441 -2.554 -10.093 1.00 22.31 H new ATOM 0 HB1 ALA A 82 12.923 -2.768 -8.137 1.00 44.34 H new ATOM 0 HB2 ALA A 82 11.788 -1.407 -7.968 1.00 44.34 H new ATOM 0 HB3 ALA A 82 11.498 -2.924 -7.083 1.00 44.34 H new ATOM 1358 N ASN A 83 10.332 -5.268 -8.704 1.00 13.04 N ATOM 1359 CA ASN A 83 10.345 -6.736 -8.766 1.00 12.31 C ATOM 1360 C ASN A 83 9.854 -7.268 -10.125 1.00 23.25 C ATOM 1361 O ASN A 83 9.705 -8.474 -10.314 1.00 5.20 O ATOM 1362 CB ASN A 83 9.548 -7.362 -7.605 1.00 4.31 C ATOM 1363 CG ASN A 83 10.235 -7.257 -6.227 1.00 71.21 C ATOM 1364 OD1 ASN A 83 11.042 -6.242 -6.016 1.00 22.33 O flip ATOM 1365 ND2 ASN A 83 10.036 -8.105 -5.361 1.00 61.01 N flip ATOM 0 H ASN A 83 9.568 -4.881 -8.149 1.00 13.04 H new ATOM 0 HA ASN A 83 11.386 -7.041 -8.659 1.00 12.31 H new ATOM 0 HB2 ASN A 83 8.573 -6.879 -7.548 1.00 4.31 H new ATOM 0 HB3 ASN A 83 9.370 -8.414 -7.829 1.00 4.31 H new ATOM 0 HD21 ASN A 83 9.405 -8.885 -5.546 1.00 61.01 H new ATOM 0 HD22 ASN A 83 10.501 -8.029 -4.457 1.00 61.01 H new ATOM 1372 N HIS A 84 9.588 -6.362 -11.060 1.00 34.43 N ATOM 1373 CA HIS A 84 9.216 -6.744 -12.425 1.00 34.40 C ATOM 1374 C HIS A 84 10.316 -6.385 -13.402 1.00 73.44 C ATOM 1375 O HIS A 84 10.103 -6.345 -14.613 1.00 62.42 O ATOM 1376 CB HIS A 84 7.875 -6.129 -12.864 1.00 75.21 C ATOM 1377 CG HIS A 84 6.705 -6.663 -12.110 1.00 40.24 C ATOM 1378 ND1 HIS A 84 6.159 -7.896 -12.359 1.00 53.03 N ATOM 1379 CD2 HIS A 84 6.014 -6.150 -11.075 1.00 50.14 C ATOM 1380 CE1 HIS A 84 5.189 -8.124 -11.508 1.00 55.20 C ATOM 1381 NE2 HIS A 84 5.076 -7.079 -10.710 1.00 41.12 N ATOM 0 H HIS A 84 9.622 -5.355 -10.901 1.00 34.43 H new ATOM 0 HA HIS A 84 9.085 -7.826 -12.426 1.00 34.40 H new ATOM 0 HB2 HIS A 84 7.919 -5.048 -12.734 1.00 75.21 H new ATOM 0 HB3 HIS A 84 7.729 -6.316 -13.928 1.00 75.21 H new ATOM 0 HD2 HIS A 84 6.170 -5.184 -10.617 1.00 50.14 H new ATOM 0 HE1 HIS A 84 4.584 -9.017 -11.467 1.00 55.20 H new ATOM 0 HE2 HIS A 84 4.403 -6.980 -9.950 1.00 41.12 H new ATOM 1390 N GLY A 85 11.507 -6.159 -12.874 1.00 74.21 N ATOM 1391 CA GLY A 85 12.648 -5.823 -13.710 1.00 54.42 C ATOM 1392 C GLY A 85 12.629 -4.387 -14.155 1.00 51.20 C ATOM 1393 O GLY A 85 13.326 -4.004 -15.088 1.00 74.24 O ATOM 0 H GLY A 85 11.709 -6.202 -11.875 1.00 74.21 H new ATOM 0 HA2 GLY A 85 13.568 -6.018 -13.159 1.00 54.42 H new ATOM 0 HA3 GLY A 85 12.657 -6.472 -14.586 1.00 54.42 H new ATOM 1397 N ILE A 86 11.829 -3.598 -13.492 1.00 34.14 N ATOM 1398 CA ILE A 86 11.721 -2.196 -13.782 1.00 12.14 C ATOM 1399 C ILE A 86 12.657 -1.436 -12.886 1.00 73.15 C ATOM 1400 O ILE A 86 12.660 -1.642 -11.671 1.00 35.04 O ATOM 1401 CB ILE A 86 10.266 -1.685 -13.584 1.00 35.41 C ATOM 1402 CG1 ILE A 86 9.325 -2.330 -14.611 1.00 21.52 C ATOM 1403 CG2 ILE A 86 10.189 -0.165 -13.654 1.00 65.40 C ATOM 1404 CD1 ILE A 86 7.892 -1.865 -14.493 1.00 15.11 C ATOM 0 H ILE A 86 11.229 -3.913 -12.729 1.00 34.14 H new ATOM 0 HA ILE A 86 11.989 -2.036 -14.826 1.00 12.14 H new ATOM 0 HB ILE A 86 9.943 -1.980 -12.586 1.00 35.41 H new ATOM 0 HG12 ILE A 86 9.689 -2.108 -15.614 1.00 21.52 H new ATOM 0 HG13 ILE A 86 9.358 -3.413 -14.492 1.00 21.52 H new ATOM 0 HG21 ILE A 86 9.157 0.154 -13.511 1.00 65.40 H new ATOM 0 HG22 ILE A 86 10.814 0.267 -12.872 1.00 65.40 H new ATOM 0 HG23 ILE A 86 10.542 0.173 -14.629 1.00 65.40 H new ATOM 0 HD11 ILE A 86 7.285 -2.362 -15.250 1.00 15.11 H new ATOM 0 HD12 ILE A 86 7.510 -2.111 -13.502 1.00 15.11 H new ATOM 0 HD13 ILE A 86 7.846 -0.786 -14.642 1.00 15.11 H new ATOM 1416 N ASP A 87 13.457 -0.582 -13.462 1.00 50.11 N ATOM 1417 CA ASP A 87 14.368 0.198 -12.670 1.00 74.14 C ATOM 1418 C ASP A 87 13.803 1.572 -12.470 1.00 11.11 C ATOM 1419 O ASP A 87 13.548 2.302 -13.436 1.00 15.21 O ATOM 1420 CB ASP A 87 15.756 0.278 -13.288 1.00 24.33 C ATOM 1421 CG ASP A 87 16.721 0.992 -12.369 1.00 13.33 C ATOM 1422 OD1 ASP A 87 17.032 2.180 -12.592 1.00 11.13 O ATOM 1423 OD2 ASP A 87 17.170 0.368 -11.381 1.00 51.43 O ATOM 0 H ASP A 87 13.498 -0.409 -14.466 1.00 50.11 H new ATOM 0 HA ASP A 87 14.483 -0.300 -11.707 1.00 74.14 H new ATOM 0 HB2 ASP A 87 16.123 -0.727 -13.496 1.00 24.33 H new ATOM 0 HB3 ASP A 87 15.703 0.802 -14.242 1.00 24.33 H new ATOM 1428 N ILE A 88 13.591 1.911 -11.238 1.00 33.34 N ATOM 1429 CA ILE A 88 13.001 3.169 -10.867 1.00 4.35 C ATOM 1430 C ILE A 88 14.092 4.110 -10.403 1.00 24.53 C ATOM 1431 O ILE A 88 15.034 3.690 -9.724 1.00 2.03 O ATOM 1432 CB ILE A 88 11.957 2.942 -9.750 1.00 30.03 C ATOM 1433 CG1 ILE A 88 10.913 1.943 -10.257 1.00 51.23 C ATOM 1434 CG2 ILE A 88 11.293 4.256 -9.306 1.00 0.22 C ATOM 1435 CD1 ILE A 88 9.866 1.581 -9.262 1.00 21.12 C ATOM 0 H ILE A 88 13.825 1.315 -10.444 1.00 33.34 H new ATOM 0 HA ILE A 88 12.495 3.613 -11.724 1.00 4.35 H new ATOM 0 HB ILE A 88 12.461 2.541 -8.871 1.00 30.03 H new ATOM 0 HG12 ILE A 88 10.428 2.361 -11.139 1.00 51.23 H new ATOM 0 HG13 ILE A 88 11.424 1.034 -10.574 1.00 51.23 H new ATOM 0 HG21 ILE A 88 10.567 4.049 -8.520 1.00 0.22 H new ATOM 0 HG22 ILE A 88 12.054 4.938 -8.927 1.00 0.22 H new ATOM 0 HG23 ILE A 88 10.787 4.713 -10.156 1.00 0.22 H new ATOM 0 HD11 ILE A 88 9.171 0.870 -9.708 1.00 21.12 H new ATOM 0 HD12 ILE A 88 10.335 1.130 -8.388 1.00 21.12 H new ATOM 0 HD13 ILE A 88 9.324 2.478 -8.961 1.00 21.12 H new ATOM 1767 N ALA B 19 -2.553 -9.996 -12.087 1.00 42.13 N ATOM 1768 CA ALA B 19 -2.993 -9.211 -13.212 1.00 63.43 C ATOM 1769 C ALA B 19 -2.758 -7.746 -12.882 1.00 13.14 C ATOM 1770 O ALA B 19 -2.450 -6.939 -13.750 1.00 12.23 O ATOM 1771 CB ALA B 19 -4.461 -9.447 -13.451 1.00 4.24 C ATOM 0 HA ALA B 19 -2.442 -9.492 -14.110 1.00 63.43 H new ATOM 0 HB1 ALA B 19 -4.791 -8.852 -14.302 1.00 4.24 H new ATOM 0 HB2 ALA B 19 -4.631 -10.503 -13.659 1.00 4.24 H new ATOM 0 HB3 ALA B 19 -5.025 -9.157 -12.565 1.00 4.24 H new ATOM 1777 N ILE B 20 -2.881 -7.425 -11.582 1.00 22.24 N ATOM 1778 CA ILE B 20 -2.624 -6.081 -11.075 1.00 4.13 C ATOM 1779 C ILE B 20 -1.167 -5.743 -11.333 1.00 2.13 C ATOM 1780 O ILE B 20 -0.810 -4.599 -11.636 1.00 13.24 O ATOM 1781 CB ILE B 20 -2.883 -6.005 -9.538 1.00 22.40 C ATOM 1782 CG1 ILE B 20 -4.322 -6.402 -9.218 1.00 72.33 C ATOM 1783 CG2 ILE B 20 -2.578 -4.608 -9.000 1.00 52.23 C ATOM 1784 CD1 ILE B 20 -4.664 -6.382 -7.747 1.00 52.41 C ATOM 0 H ILE B 20 -3.160 -8.092 -10.863 1.00 22.24 H new ATOM 0 HA ILE B 20 -3.290 -5.381 -11.579 1.00 4.13 H new ATOM 0 HB ILE B 20 -2.212 -6.709 -9.046 1.00 22.40 H new ATOM 0 HG12 ILE B 20 -4.997 -5.728 -9.744 1.00 72.33 H new ATOM 0 HG13 ILE B 20 -4.504 -7.404 -9.607 1.00 72.33 H new ATOM 0 HG21 ILE B 20 -2.767 -4.582 -7.927 1.00 52.23 H new ATOM 0 HG22 ILE B 20 -1.533 -4.365 -9.191 1.00 52.23 H new ATOM 0 HG23 ILE B 20 -3.217 -3.879 -9.498 1.00 52.23 H new ATOM 0 HD11 ILE B 20 -5.705 -6.677 -7.611 1.00 52.41 H new ATOM 0 HD12 ILE B 20 -4.017 -7.078 -7.214 1.00 52.41 H new ATOM 0 HD13 ILE B 20 -4.518 -5.376 -7.353 1.00 52.41 H new ATOM 1796 N SER B 21 -0.351 -6.764 -11.267 1.00 75.03 N ATOM 1797 CA SER B 21 1.065 -6.630 -11.444 1.00 10.10 C ATOM 1798 C SER B 21 1.371 -6.258 -12.883 1.00 22.42 C ATOM 1799 O SER B 21 2.149 -5.340 -13.141 1.00 44.01 O ATOM 1800 CB SER B 21 1.745 -7.933 -11.058 1.00 63.51 C ATOM 1801 OG SER B 21 1.377 -8.312 -9.734 1.00 0.14 O ATOM 0 H SER B 21 -0.658 -7.720 -11.087 1.00 75.03 H new ATOM 0 HA SER B 21 1.446 -5.836 -10.802 1.00 10.10 H new ATOM 0 HB2 SER B 21 1.464 -8.719 -11.759 1.00 63.51 H new ATOM 0 HB3 SER B 21 2.827 -7.819 -11.123 1.00 63.51 H new ATOM 0 HG SER B 21 1.335 -7.515 -9.165 1.00 0.14 H new ATOM 1807 N GLU B 22 0.720 -6.952 -13.807 1.00 44.15 N ATOM 1808 CA GLU B 22 0.870 -6.691 -15.228 1.00 72.01 C ATOM 1809 C GLU B 22 0.342 -5.295 -15.554 1.00 22.40 C ATOM 1810 O GLU B 22 0.944 -4.554 -16.343 1.00 24.33 O ATOM 1811 CB GLU B 22 0.113 -7.752 -16.033 1.00 72.32 C ATOM 1812 CG GLU B 22 0.570 -9.168 -15.735 1.00 40.10 C ATOM 1813 CD GLU B 22 -0.197 -10.220 -16.496 1.00 32.20 C ATOM 1814 OE1 GLU B 22 0.276 -10.666 -17.569 1.00 1.41 O ATOM 1815 OE2 GLU B 22 -1.273 -10.626 -16.032 1.00 75.11 O ATOM 0 H GLU B 22 0.074 -7.711 -13.590 1.00 44.15 H new ATOM 0 HA GLU B 22 1.926 -6.737 -15.496 1.00 72.01 H new ATOM 0 HB2 GLU B 22 -0.953 -7.669 -15.820 1.00 72.32 H new ATOM 0 HB3 GLU B 22 0.242 -7.552 -17.097 1.00 72.32 H new ATOM 0 HG2 GLU B 22 1.630 -9.257 -15.975 1.00 40.10 H new ATOM 0 HG3 GLU B 22 0.468 -9.357 -14.666 1.00 40.10 H new ATOM 1822 N THR B 23 -0.767 -4.936 -14.911 1.00 1.04 N ATOM 1823 CA THR B 23 -1.388 -3.643 -15.087 1.00 40.12 C ATOM 1824 C THR B 23 -0.425 -2.498 -14.723 1.00 2.12 C ATOM 1825 O THR B 23 -0.155 -1.624 -15.549 1.00 70.32 O ATOM 1826 CB THR B 23 -2.660 -3.541 -14.198 1.00 0.11 C ATOM 1827 OG1 THR B 23 -3.645 -4.509 -14.613 1.00 51.12 O ATOM 1828 CG2 THR B 23 -3.258 -2.144 -14.223 1.00 75.24 C ATOM 0 H THR B 23 -1.255 -5.543 -14.252 1.00 1.04 H new ATOM 0 HA THR B 23 -1.656 -3.546 -16.139 1.00 40.12 H new ATOM 0 HB THR B 23 -2.357 -3.754 -13.173 1.00 0.11 H new ATOM 0 HG1 THR B 23 -3.343 -5.409 -14.368 1.00 51.12 H new ATOM 0 HG21 THR B 23 -4.144 -2.116 -13.589 1.00 75.24 H new ATOM 0 HG22 THR B 23 -2.525 -1.428 -13.853 1.00 75.24 H new ATOM 0 HG23 THR B 23 -3.534 -1.885 -15.245 1.00 75.24 H new ATOM 1836 N LEU B 24 0.137 -2.548 -13.524 1.00 23.43 N ATOM 1837 CA LEU B 24 0.982 -1.462 -13.037 1.00 42.34 C ATOM 1838 C LEU B 24 2.326 -1.423 -13.734 1.00 34.45 C ATOM 1839 O LEU B 24 2.890 -0.346 -13.945 1.00 32.22 O ATOM 1840 CB LEU B 24 1.147 -1.536 -11.525 1.00 2.53 C ATOM 1841 CG LEU B 24 -0.141 -1.436 -10.703 1.00 54.03 C ATOM 1842 CD1 LEU B 24 0.171 -1.538 -9.231 1.00 0.31 C ATOM 1843 CD2 LEU B 24 -0.882 -0.135 -11.001 1.00 33.44 C ATOM 0 H LEU B 24 0.025 -3.324 -12.872 1.00 23.43 H new ATOM 0 HA LEU B 24 0.474 -0.528 -13.279 1.00 42.34 H new ATOM 0 HB2 LEU B 24 1.639 -2.477 -11.279 1.00 2.53 H new ATOM 0 HB3 LEU B 24 1.817 -0.735 -11.213 1.00 2.53 H new ATOM 0 HG LEU B 24 -0.790 -2.265 -10.984 1.00 54.03 H new ATOM 0 HD11 LEU B 24 -0.753 -1.465 -8.657 1.00 0.31 H new ATOM 0 HD12 LEU B 24 0.651 -2.495 -9.026 1.00 0.31 H new ATOM 0 HD13 LEU B 24 0.841 -0.727 -8.944 1.00 0.31 H new ATOM 0 HD21 LEU B 24 -1.793 -0.090 -10.404 1.00 33.44 H new ATOM 0 HD22 LEU B 24 -0.243 0.713 -10.753 1.00 33.44 H new ATOM 0 HD23 LEU B 24 -1.140 -0.097 -12.059 1.00 33.44 H new ATOM 1855 N GLU B 25 2.827 -2.598 -14.107 1.00 33.22 N ATOM 1856 CA GLU B 25 4.084 -2.725 -14.833 1.00 62.24 C ATOM 1857 C GLU B 25 3.956 -1.918 -16.142 1.00 64.21 C ATOM 1858 O GLU B 25 4.819 -1.101 -16.487 1.00 74.30 O ATOM 1859 CB GLU B 25 4.345 -4.251 -15.068 1.00 53.31 C ATOM 1860 CG GLU B 25 5.701 -4.672 -15.659 1.00 3.14 C ATOM 1861 CD GLU B 25 5.842 -4.485 -17.152 1.00 74.51 C ATOM 1862 OE1 GLU B 25 6.192 -3.397 -17.601 1.00 21.42 O ATOM 1863 OE2 GLU B 25 5.634 -5.468 -17.893 1.00 22.02 O ATOM 0 H GLU B 25 2.371 -3.489 -13.913 1.00 33.22 H new ATOM 0 HA GLU B 25 4.937 -2.326 -14.285 1.00 62.24 H new ATOM 0 HB2 GLU B 25 4.225 -4.761 -14.112 1.00 53.31 H new ATOM 0 HB3 GLU B 25 3.563 -4.625 -15.729 1.00 53.31 H new ATOM 0 HG2 GLU B 25 6.487 -4.103 -15.163 1.00 3.14 H new ATOM 0 HG3 GLU B 25 5.871 -5.723 -15.424 1.00 3.14 H new ATOM 1870 N THR B 26 2.816 -2.090 -16.791 1.00 55.24 N ATOM 1871 CA THR B 26 2.504 -1.406 -18.022 1.00 55.23 C ATOM 1872 C THR B 26 2.329 0.123 -17.778 1.00 4.33 C ATOM 1873 O THR B 26 2.810 0.956 -18.568 1.00 62.34 O ATOM 1874 CB THR B 26 1.198 -1.978 -18.617 1.00 33.21 C ATOM 1875 OG1 THR B 26 1.316 -3.412 -18.761 1.00 72.12 O ATOM 1876 CG2 THR B 26 0.919 -1.366 -19.976 1.00 55.55 C ATOM 0 H THR B 26 2.078 -2.716 -16.470 1.00 55.24 H new ATOM 0 HA THR B 26 3.329 -1.558 -18.718 1.00 55.23 H new ATOM 0 HB THR B 26 0.377 -1.737 -17.942 1.00 33.21 H new ATOM 0 HG1 THR B 26 0.941 -3.852 -17.970 1.00 72.12 H new ATOM 0 HG21 THR B 26 -0.005 -1.781 -20.379 1.00 55.55 H new ATOM 0 HG22 THR B 26 0.817 -0.286 -19.875 1.00 55.55 H new ATOM 0 HG23 THR B 26 1.744 -1.591 -20.653 1.00 55.55 H new ATOM 1884 N VAL B 27 1.640 0.473 -16.679 1.00 71.25 N ATOM 1885 CA VAL B 27 1.372 1.880 -16.321 1.00 42.31 C ATOM 1886 C VAL B 27 2.667 2.674 -16.162 1.00 62.45 C ATOM 1887 O VAL B 27 2.776 3.808 -16.659 1.00 14.42 O ATOM 1888 CB VAL B 27 0.509 2.006 -15.018 1.00 31.20 C ATOM 1889 CG1 VAL B 27 0.299 3.462 -14.644 1.00 13.33 C ATOM 1890 CG2 VAL B 27 -0.842 1.333 -15.192 1.00 62.14 C ATOM 0 H VAL B 27 1.256 -0.202 -16.018 1.00 71.25 H new ATOM 0 HA VAL B 27 0.800 2.301 -17.148 1.00 42.31 H new ATOM 0 HB VAL B 27 1.055 1.507 -14.218 1.00 31.20 H new ATOM 0 HG11 VAL B 27 -0.303 3.522 -13.737 1.00 13.33 H new ATOM 0 HG12 VAL B 27 1.265 3.936 -14.471 1.00 13.33 H new ATOM 0 HG13 VAL B 27 -0.217 3.975 -15.456 1.00 13.33 H new ATOM 0 HG21 VAL B 27 -1.420 1.435 -14.274 1.00 62.14 H new ATOM 0 HG22 VAL B 27 -1.380 1.805 -16.014 1.00 62.14 H new ATOM 0 HG23 VAL B 27 -0.696 0.276 -15.413 1.00 62.14 H new ATOM 1900 N TYR B 28 3.650 2.066 -15.519 1.00 13.00 N ATOM 1901 CA TYR B 28 4.927 2.725 -15.266 1.00 42.41 C ATOM 1902 C TYR B 28 5.579 3.118 -16.585 1.00 65.14 C ATOM 1903 O TYR B 28 6.058 4.244 -16.747 1.00 70.20 O ATOM 1904 CB TYR B 28 5.873 1.799 -14.465 1.00 70.12 C ATOM 1905 CG TYR B 28 7.193 2.453 -14.037 1.00 42.25 C ATOM 1906 CD1 TYR B 28 8.262 2.575 -14.920 1.00 71.45 C ATOM 1907 CD2 TYR B 28 7.357 2.953 -12.752 1.00 10.15 C ATOM 1908 CE1 TYR B 28 9.445 3.174 -14.532 1.00 24.23 C ATOM 1909 CE2 TYR B 28 8.540 3.554 -12.361 1.00 5.03 C ATOM 1910 CZ TYR B 28 9.577 3.663 -13.252 1.00 13.15 C ATOM 1911 OH TYR B 28 10.749 4.263 -12.866 1.00 52.31 O ATOM 0 H TYR B 28 3.591 1.113 -15.160 1.00 13.00 H new ATOM 0 HA TYR B 28 4.741 3.622 -14.675 1.00 42.41 H new ATOM 0 HB2 TYR B 28 5.350 1.449 -13.575 1.00 70.12 H new ATOM 0 HB3 TYR B 28 6.097 0.920 -15.069 1.00 70.12 H new ATOM 0 HD1 TYR B 28 8.165 2.195 -15.926 1.00 71.45 H new ATOM 0 HD2 TYR B 28 6.545 2.871 -12.044 1.00 10.15 H new ATOM 0 HE1 TYR B 28 10.264 3.258 -15.231 1.00 24.23 H new ATOM 0 HE2 TYR B 28 8.647 3.936 -11.357 1.00 5.03 H new ATOM 0 HH TYR B 28 10.552 5.127 -12.448 1.00 52.31 H new ATOM 1921 N ARG B 29 5.549 2.195 -17.532 1.00 11.45 N ATOM 1922 CA ARG B 29 6.185 2.380 -18.824 1.00 63.40 C ATOM 1923 C ARG B 29 5.502 3.476 -19.644 1.00 64.15 C ATOM 1924 O ARG B 29 6.140 4.171 -20.424 1.00 33.51 O ATOM 1925 CB ARG B 29 6.208 1.066 -19.600 1.00 21.24 C ATOM 1926 CG ARG B 29 6.925 -0.075 -18.879 1.00 13.04 C ATOM 1927 CD ARG B 29 8.378 0.272 -18.543 1.00 21.34 C ATOM 1928 NE ARG B 29 9.168 0.583 -19.740 1.00 31.33 N ATOM 1929 CZ ARG B 29 10.504 0.687 -19.779 1.00 31.33 C ATOM 1930 NH1 ARG B 29 11.232 0.526 -18.674 1.00 14.01 N ATOM 1931 NH2 ARG B 29 11.104 0.961 -20.926 1.00 14.11 N ATOM 0 H ARG B 29 5.082 1.295 -17.425 1.00 11.45 H new ATOM 0 HA ARG B 29 7.211 2.701 -18.642 1.00 63.40 H new ATOM 0 HB2 ARG B 29 5.182 0.762 -19.808 1.00 21.24 H new ATOM 0 HB3 ARG B 29 6.692 1.234 -20.562 1.00 21.24 H new ATOM 0 HG2 ARG B 29 6.389 -0.315 -17.960 1.00 13.04 H new ATOM 0 HG3 ARG B 29 6.902 -0.968 -19.504 1.00 13.04 H new ATOM 0 HD2 ARG B 29 8.398 1.126 -17.866 1.00 21.34 H new ATOM 0 HD3 ARG B 29 8.836 -0.564 -18.015 1.00 21.34 H new ATOM 0 HE ARG B 29 8.660 0.732 -20.612 1.00 31.33 H new ATOM 0 HH11 ARG B 29 10.773 0.321 -17.786 1.00 14.01 H new ATOM 0 HH12 ARG B 29 12.248 0.607 -18.716 1.00 14.01 H new ATOM 0 HH21 ARG B 29 10.550 1.092 -21.773 1.00 14.11 H new ATOM 0 HH22 ARG B 29 12.120 1.042 -20.963 1.00 14.11 H new ATOM 1945 N ALA B 30 4.210 3.639 -19.450 1.00 13.25 N ATOM 1946 CA ALA B 30 3.471 4.660 -20.167 1.00 14.22 C ATOM 1947 C ALA B 30 3.846 6.051 -19.657 1.00 11.31 C ATOM 1948 O ALA B 30 3.954 7.004 -20.428 1.00 33.14 O ATOM 1949 CB ALA B 30 1.970 4.423 -20.043 1.00 32.32 C ATOM 0 H ALA B 30 3.651 3.081 -18.805 1.00 13.25 H new ATOM 0 HA ALA B 30 3.737 4.601 -21.222 1.00 14.22 H new ATOM 0 HB1 ALA B 30 1.433 5.199 -20.588 1.00 32.32 H new ATOM 0 HB2 ALA B 30 1.720 3.448 -20.461 1.00 32.32 H new ATOM 0 HB3 ALA B 30 1.683 4.452 -18.992 1.00 32.32 H new ATOM 1955 N LEU B 31 4.050 6.147 -18.360 1.00 52.44 N ATOM 1956 CA LEU B 31 4.388 7.401 -17.706 1.00 2.11 C ATOM 1957 C LEU B 31 5.822 7.840 -17.975 1.00 75.04 C ATOM 1958 O LEU B 31 6.085 9.041 -18.106 1.00 21.02 O ATOM 1959 CB LEU B 31 4.119 7.299 -16.207 1.00 44.53 C ATOM 1960 CG LEU B 31 2.646 7.106 -15.832 1.00 14.21 C ATOM 1961 CD1 LEU B 31 2.479 6.717 -14.382 1.00 3.41 C ATOM 1962 CD2 LEU B 31 1.892 8.383 -16.081 1.00 25.41 C ATOM 0 H LEU B 31 3.986 5.353 -17.722 1.00 52.44 H new ATOM 0 HA LEU B 31 3.747 8.172 -18.134 1.00 2.11 H new ATOM 0 HB2 LEU B 31 4.694 6.465 -15.804 1.00 44.53 H new ATOM 0 HB3 LEU B 31 4.487 8.204 -15.723 1.00 44.53 H new ATOM 0 HG LEU B 31 2.253 6.299 -16.450 1.00 14.21 H new ATOM 0 HD11 LEU B 31 1.420 6.590 -14.159 1.00 3.41 H new ATOM 0 HD12 LEU B 31 3.004 5.780 -14.194 1.00 3.41 H new ATOM 0 HD13 LEU B 31 2.893 7.499 -13.745 1.00 3.41 H new ATOM 0 HD21 LEU B 31 0.844 8.245 -15.814 1.00 25.41 H new ATOM 0 HD22 LEU B 31 2.319 9.182 -15.474 1.00 25.41 H new ATOM 0 HD23 LEU B 31 1.966 8.649 -17.135 1.00 25.41 H new ATOM 1974 N GLU B 32 6.744 6.886 -18.069 1.00 23.43 N ATOM 1975 CA GLU B 32 8.147 7.229 -18.274 1.00 43.52 C ATOM 1976 C GLU B 32 8.452 7.759 -19.686 1.00 54.51 C ATOM 1977 O GLU B 32 9.206 8.728 -19.844 1.00 5.42 O ATOM 1978 CB GLU B 32 9.121 6.145 -17.724 1.00 53.53 C ATOM 1979 CG GLU B 32 8.968 4.708 -18.233 1.00 11.31 C ATOM 1980 CD GLU B 32 9.684 4.430 -19.530 1.00 54.51 C ATOM 1981 OE1 GLU B 32 9.042 4.315 -20.555 1.00 1.11 O ATOM 1982 OE2 GLU B 32 10.943 4.318 -19.512 1.00 73.15 O ATOM 0 H GLU B 32 6.550 5.886 -18.008 1.00 23.43 H new ATOM 0 HA GLU B 32 8.351 8.097 -17.647 1.00 43.52 H new ATOM 0 HB2 GLU B 32 10.138 6.469 -17.944 1.00 53.53 H new ATOM 0 HB3 GLU B 32 9.020 6.126 -16.639 1.00 53.53 H new ATOM 0 HG2 GLU B 32 9.341 4.023 -17.471 1.00 11.31 H new ATOM 0 HG3 GLU B 32 7.908 4.492 -18.363 1.00 11.31 H new ATOM 1989 N GLU B 33 7.841 7.161 -20.699 1.00 52.43 N ATOM 1990 CA GLU B 33 7.941 7.687 -22.080 1.00 63.32 C ATOM 1991 C GLU B 33 7.233 9.039 -22.220 1.00 61.33 C ATOM 1992 O GLU B 33 7.558 9.845 -23.099 1.00 65.52 O ATOM 1993 CB GLU B 33 7.372 6.703 -23.092 1.00 62.20 C ATOM 1994 CG GLU B 33 8.222 5.476 -23.314 1.00 62.52 C ATOM 1995 CD GLU B 33 9.559 5.811 -23.932 1.00 1.43 C ATOM 1996 OE1 GLU B 33 9.615 5.999 -25.177 1.00 32.45 O ATOM 1997 OE2 GLU B 33 10.570 5.894 -23.205 1.00 13.12 O ATOM 0 H GLU B 33 7.273 6.319 -20.607 1.00 52.43 H new ATOM 0 HA GLU B 33 9.002 7.827 -22.287 1.00 63.32 H new ATOM 0 HB2 GLU B 33 6.383 6.389 -22.759 1.00 62.20 H new ATOM 0 HB3 GLU B 33 7.240 7.216 -24.045 1.00 62.20 H new ATOM 0 HG2 GLU B 33 8.381 4.969 -22.362 1.00 62.52 H new ATOM 0 HG3 GLU B 33 7.689 4.779 -23.961 1.00 62.52 H new ATOM 2004 N LYS B 34 6.267 9.274 -21.363 1.00 73.33 N ATOM 2005 CA LYS B 34 5.524 10.522 -21.363 1.00 34.45 C ATOM 2006 C LYS B 34 6.188 11.605 -20.534 1.00 23.11 C ATOM 2007 O LYS B 34 5.742 12.753 -20.546 1.00 10.31 O ATOM 2008 CB LYS B 34 4.089 10.313 -20.908 1.00 34.03 C ATOM 2009 CG LYS B 34 3.143 9.780 -21.965 1.00 31.34 C ATOM 2010 CD LYS B 34 2.942 10.815 -23.059 1.00 61.12 C ATOM 2011 CE LYS B 34 1.925 10.362 -24.076 1.00 74.24 C ATOM 2012 NZ LYS B 34 1.727 11.361 -25.140 1.00 0.42 N ATOM 0 H LYS B 34 5.971 8.611 -20.647 1.00 73.33 H new ATOM 0 HA LYS B 34 5.518 10.868 -22.397 1.00 34.45 H new ATOM 0 HB2 LYS B 34 4.090 9.623 -20.064 1.00 34.03 H new ATOM 0 HB3 LYS B 34 3.700 11.263 -20.542 1.00 34.03 H new ATOM 0 HG2 LYS B 34 3.544 8.861 -22.393 1.00 31.34 H new ATOM 0 HG3 LYS B 34 2.184 9.528 -21.512 1.00 31.34 H new ATOM 0 HD2 LYS B 34 2.618 11.756 -22.614 1.00 61.12 H new ATOM 0 HD3 LYS B 34 3.893 11.008 -23.556 1.00 61.12 H new ATOM 0 HE2 LYS B 34 2.249 9.420 -24.519 1.00 74.24 H new ATOM 0 HE3 LYS B 34 0.975 10.170 -23.578 1.00 74.24 H new ATOM 0 HZ1 LYS B 34 1.021 11.011 -25.818 1.00 0.42 H new ATOM 0 HZ2 LYS B 34 1.393 12.252 -24.721 1.00 0.42 H new ATOM 0 HZ3 LYS B 34 2.628 11.526 -25.633 1.00 0.42 H new ATOM 2026 N GLY B 35 7.224 11.251 -19.819 1.00 33.21 N ATOM 2027 CA GLY B 35 7.925 12.224 -19.021 1.00 63.23 C ATOM 2028 C GLY B 35 7.120 12.701 -17.826 1.00 74.01 C ATOM 2029 O GLY B 35 7.218 13.862 -17.427 1.00 41.23 O ATOM 0 H GLY B 35 7.599 10.304 -19.772 1.00 33.21 H new ATOM 0 HA2 GLY B 35 8.863 11.792 -18.671 1.00 63.23 H new ATOM 0 HA3 GLY B 35 8.182 13.080 -19.645 1.00 63.23 H new ATOM 2033 N TYR B 36 6.296 11.827 -17.275 1.00 32.23 N ATOM 2034 CA TYR B 36 5.578 12.157 -16.064 1.00 75.34 C ATOM 2035 C TYR B 36 6.344 11.552 -14.923 1.00 21.12 C ATOM 2036 O TYR B 36 7.470 11.103 -15.109 1.00 22.05 O ATOM 2037 CB TYR B 36 4.127 11.619 -16.067 1.00 25.34 C ATOM 2038 CG TYR B 36 3.210 12.211 -17.123 1.00 54.31 C ATOM 2039 CD1 TYR B 36 2.665 11.417 -18.115 1.00 31.24 C ATOM 2040 CD2 TYR B 36 2.875 13.562 -17.112 1.00 71.20 C ATOM 2041 CE1 TYR B 36 1.817 11.948 -19.076 1.00 63.50 C ATOM 2042 CE2 TYR B 36 2.027 14.097 -18.070 1.00 53.15 C ATOM 2043 CZ TYR B 36 1.503 13.282 -19.049 1.00 42.21 C ATOM 2044 OH TYR B 36 0.659 13.810 -20.018 1.00 24.54 O ATOM 0 H TYR B 36 6.111 10.894 -17.644 1.00 32.23 H new ATOM 0 HA TYR B 36 5.502 13.241 -15.976 1.00 75.34 H new ATOM 0 HB2 TYR B 36 4.160 10.538 -16.204 1.00 25.34 H new ATOM 0 HB3 TYR B 36 3.688 11.803 -15.086 1.00 25.34 H new ATOM 0 HD1 TYR B 36 2.904 10.364 -18.142 1.00 31.24 H new ATOM 0 HD2 TYR B 36 3.282 14.204 -16.345 1.00 71.20 H new ATOM 0 HE1 TYR B 36 1.405 11.311 -19.845 1.00 63.50 H new ATOM 0 HE2 TYR B 36 1.779 15.148 -18.049 1.00 53.15 H new ATOM 0 HH TYR B 36 0.536 14.769 -19.857 1.00 24.54 H new ATOM 2054 N ASN B 37 5.772 11.537 -13.757 1.00 45.20 N ATOM 2055 CA ASN B 37 6.420 10.903 -12.632 1.00 32.13 C ATOM 2056 C ASN B 37 5.717 9.590 -12.339 1.00 2.34 C ATOM 2057 O ASN B 37 4.758 9.581 -11.582 1.00 72.34 O ATOM 2058 CB ASN B 37 6.381 11.801 -11.397 1.00 43.23 C ATOM 2059 CG ASN B 37 7.085 13.121 -11.584 1.00 74.21 C ATOM 2060 OD1 ASN B 37 6.473 14.109 -12.000 1.00 3.40 O ATOM 2061 ND2 ASN B 37 8.359 13.153 -11.293 1.00 12.25 N ATOM 0 H ASN B 37 4.863 11.952 -13.553 1.00 45.20 H new ATOM 0 HA ASN B 37 7.466 10.723 -12.881 1.00 32.13 H new ATOM 0 HB2 ASN B 37 5.342 11.989 -11.128 1.00 43.23 H new ATOM 0 HB3 ASN B 37 6.836 11.272 -10.560 1.00 43.23 H new ATOM 0 HD21 ASN B 37 8.887 14.018 -11.407 1.00 12.25 H new ATOM 0 HD22 ASN B 37 8.825 12.313 -10.952 1.00 12.25 H new ATOM 2068 N PRO B 38 6.152 8.463 -12.974 1.00 31.04 N ATOM 2069 CA PRO B 38 5.471 7.167 -12.883 1.00 1.40 C ATOM 2070 C PRO B 38 5.003 6.746 -11.484 1.00 4.42 C ATOM 2071 O PRO B 38 3.893 6.261 -11.329 1.00 23.41 O ATOM 2072 CB PRO B 38 6.492 6.163 -13.432 1.00 44.13 C ATOM 2073 CG PRO B 38 7.719 6.946 -13.776 1.00 55.33 C ATOM 2074 CD PRO B 38 7.315 8.374 -13.869 1.00 11.12 C ATOM 0 HA PRO B 38 4.536 7.219 -13.441 1.00 1.40 H new ATOM 0 HB2 PRO B 38 6.717 5.395 -12.692 1.00 44.13 H new ATOM 0 HB3 PRO B 38 6.099 5.652 -14.311 1.00 44.13 H new ATOM 0 HG2 PRO B 38 8.487 6.812 -13.015 1.00 55.33 H new ATOM 0 HG3 PRO B 38 8.142 6.603 -14.720 1.00 55.33 H new ATOM 0 HD2 PRO B 38 8.118 9.039 -13.551 1.00 11.12 H new ATOM 0 HD3 PRO B 38 7.057 8.652 -14.891 1.00 11.12 H new ATOM 2082 N ILE B 39 5.812 6.958 -10.488 1.00 0.44 N ATOM 2083 CA ILE B 39 5.439 6.570 -9.145 1.00 75.55 C ATOM 2084 C ILE B 39 4.506 7.599 -8.522 1.00 74.31 C ATOM 2085 O ILE B 39 3.452 7.248 -7.988 1.00 61.32 O ATOM 2086 CB ILE B 39 6.673 6.332 -8.251 1.00 62.41 C ATOM 2087 CG1 ILE B 39 7.571 5.259 -8.885 1.00 32.11 C ATOM 2088 CG2 ILE B 39 6.252 5.918 -6.836 1.00 20.43 C ATOM 2089 CD1 ILE B 39 6.904 3.901 -9.050 1.00 2.34 C ATOM 0 H ILE B 39 6.730 7.394 -10.571 1.00 0.44 H new ATOM 0 HA ILE B 39 4.905 5.623 -9.218 1.00 75.55 H new ATOM 0 HB ILE B 39 7.234 7.263 -8.171 1.00 62.41 H new ATOM 0 HG12 ILE B 39 7.901 5.610 -9.863 1.00 32.11 H new ATOM 0 HG13 ILE B 39 8.464 5.140 -8.271 1.00 32.11 H new ATOM 0 HG21 ILE B 39 7.140 5.756 -6.225 1.00 20.43 H new ATOM 0 HG22 ILE B 39 5.645 6.707 -6.392 1.00 20.43 H new ATOM 0 HG23 ILE B 39 5.672 4.997 -6.884 1.00 20.43 H new ATOM 0 HD11 ILE B 39 7.607 3.203 -9.504 1.00 2.34 H new ATOM 0 HD12 ILE B 39 6.599 3.524 -8.074 1.00 2.34 H new ATOM 0 HD13 ILE B 39 6.028 4.001 -9.690 1.00 2.34 H new ATOM 2101 N ASN B 40 4.880 8.877 -8.642 1.00 24.14 N ATOM 2102 CA ASN B 40 4.091 9.979 -8.063 1.00 41.43 C ATOM 2103 C ASN B 40 2.676 10.019 -8.619 1.00 43.23 C ATOM 2104 O ASN B 40 1.730 10.331 -7.894 1.00 73.24 O ATOM 2105 CB ASN B 40 4.764 11.353 -8.240 1.00 10.21 C ATOM 2106 CG ASN B 40 6.052 11.529 -7.441 1.00 42.33 C ATOM 2107 OD1 ASN B 40 7.175 11.199 -8.033 1.00 45.30 O flip ATOM 2108 ND2 ASN B 40 6.033 11.967 -6.293 1.00 62.43 N flip ATOM 0 H ASN B 40 5.722 9.178 -9.133 1.00 24.14 H new ATOM 0 HA ASN B 40 4.040 9.770 -6.994 1.00 41.43 H new ATOM 0 HB2 ASN B 40 4.983 11.504 -9.297 1.00 10.21 H new ATOM 0 HB3 ASN B 40 4.059 12.130 -7.946 1.00 10.21 H new ATOM 0 HD21 ASN B 40 5.145 12.216 -5.857 1.00 62.43 H new ATOM 0 HD22 ASN B 40 6.905 12.082 -5.776 1.00 62.43 H new ATOM 2115 N GLN B 41 2.527 9.681 -9.895 1.00 13.24 N ATOM 2116 CA GLN B 41 1.218 9.671 -10.517 1.00 51.34 C ATOM 2117 C GLN B 41 0.343 8.583 -9.907 1.00 63.53 C ATOM 2118 O GLN B 41 -0.822 8.816 -9.647 1.00 13.12 O ATOM 2119 CB GLN B 41 1.317 9.467 -12.038 1.00 22.02 C ATOM 2120 CG GLN B 41 2.165 10.508 -12.766 1.00 11.02 C ATOM 2121 CD GLN B 41 1.654 11.932 -12.650 1.00 4.14 C ATOM 2122 OE1 GLN B 41 0.358 12.107 -12.595 1.00 45.32 O flip ATOM 2123 NE2 GLN B 41 2.446 12.878 -12.648 1.00 62.30 N flip ATOM 0 H GLN B 41 3.294 9.413 -10.511 1.00 13.24 H new ATOM 0 HA GLN B 41 0.762 10.644 -10.332 1.00 51.34 H new ATOM 0 HB2 GLN B 41 1.733 8.478 -12.232 1.00 22.02 H new ATOM 0 HB3 GLN B 41 0.312 9.478 -12.459 1.00 22.02 H new ATOM 0 HG2 GLN B 41 3.181 10.468 -12.375 1.00 11.02 H new ATOM 0 HG3 GLN B 41 2.219 10.240 -13.821 1.00 11.02 H new ATOM 0 HE21 GLN B 41 3.450 12.703 -12.692 1.00 62.30 H new ATOM 0 HE22 GLN B 41 2.097 13.835 -12.602 1.00 62.30 H new ATOM 2132 N ILE B 42 0.923 7.407 -9.660 1.00 33.14 N ATOM 2133 CA ILE B 42 0.171 6.279 -9.110 1.00 53.23 C ATOM 2134 C ILE B 42 -0.155 6.489 -7.626 1.00 21.32 C ATOM 2135 O ILE B 42 -1.298 6.292 -7.206 1.00 75.33 O ATOM 2136 CB ILE B 42 0.893 4.917 -9.315 1.00 22.41 C ATOM 2137 CG1 ILE B 42 1.133 4.661 -10.812 1.00 1.20 C ATOM 2138 CG2 ILE B 42 0.058 3.778 -8.709 1.00 61.43 C ATOM 2139 CD1 ILE B 42 1.875 3.367 -11.113 1.00 30.25 C ATOM 0 H ILE B 42 1.909 7.212 -9.832 1.00 33.14 H new ATOM 0 HA ILE B 42 -0.763 6.240 -9.671 1.00 53.23 H new ATOM 0 HB ILE B 42 1.857 4.953 -8.808 1.00 22.41 H new ATOM 0 HG12 ILE B 42 0.171 4.643 -11.325 1.00 1.20 H new ATOM 0 HG13 ILE B 42 1.699 5.496 -11.226 1.00 1.20 H new ATOM 0 HG21 ILE B 42 0.574 2.829 -8.859 1.00 61.43 H new ATOM 0 HG22 ILE B 42 -0.076 3.953 -7.642 1.00 61.43 H new ATOM 0 HG23 ILE B 42 -0.916 3.742 -9.196 1.00 61.43 H new ATOM 0 HD11 ILE B 42 2.003 3.263 -12.190 1.00 30.25 H new ATOM 0 HD12 ILE B 42 2.853 3.388 -10.632 1.00 30.25 H new ATOM 0 HD13 ILE B 42 1.301 2.522 -10.733 1.00 30.25 H new ATOM 2151 N VAL B 43 0.833 6.905 -6.839 1.00 25.31 N ATOM 2152 CA VAL B 43 0.594 7.148 -5.416 1.00 11.02 C ATOM 2153 C VAL B 43 -0.481 8.236 -5.221 1.00 72.20 C ATOM 2154 O VAL B 43 -1.385 8.086 -4.395 1.00 70.31 O ATOM 2155 CB VAL B 43 1.913 7.457 -4.599 1.00 42.12 C ATOM 2156 CG1 VAL B 43 2.670 8.624 -5.186 1.00 43.24 C ATOM 2157 CG2 VAL B 43 1.598 7.741 -3.134 1.00 10.31 C ATOM 0 H VAL B 43 1.788 7.079 -7.152 1.00 25.31 H new ATOM 0 HA VAL B 43 0.214 6.216 -4.998 1.00 11.02 H new ATOM 0 HB VAL B 43 2.540 6.568 -4.663 1.00 42.12 H new ATOM 0 HG11 VAL B 43 3.570 8.807 -4.599 1.00 43.24 H new ATOM 0 HG12 VAL B 43 2.948 8.397 -6.215 1.00 43.24 H new ATOM 0 HG13 VAL B 43 2.039 9.513 -5.169 1.00 43.24 H new ATOM 0 HG21 VAL B 43 2.523 7.950 -2.597 1.00 10.31 H new ATOM 0 HG22 VAL B 43 0.935 8.604 -3.065 1.00 10.31 H new ATOM 0 HG23 VAL B 43 1.110 6.872 -2.692 1.00 10.31 H new ATOM 2167 N GLY B 44 -0.419 9.290 -6.037 1.00 23.43 N ATOM 2168 CA GLY B 44 -1.406 10.333 -5.962 1.00 31.02 C ATOM 2169 C GLY B 44 -2.751 9.839 -6.441 1.00 2.25 C ATOM 2170 O GLY B 44 -3.786 10.209 -5.896 1.00 13.31 O ATOM 0 H GLY B 44 0.301 9.430 -6.745 1.00 23.43 H new ATOM 0 HA2 GLY B 44 -1.489 10.687 -4.934 1.00 31.02 H new ATOM 0 HA3 GLY B 44 -1.090 11.183 -6.567 1.00 31.02 H new ATOM 2174 N TYR B 45 -2.721 8.980 -7.457 1.00 61.12 N ATOM 2175 CA TYR B 45 -3.908 8.373 -8.051 1.00 13.13 C ATOM 2176 C TYR B 45 -4.729 7.621 -6.987 1.00 14.24 C ATOM 2177 O TYR B 45 -5.919 7.899 -6.788 1.00 13.30 O ATOM 2178 CB TYR B 45 -3.439 7.398 -9.155 1.00 21.51 C ATOM 2179 CG TYR B 45 -4.506 6.724 -9.970 1.00 73.24 C ATOM 2180 CD1 TYR B 45 -5.333 5.783 -9.413 1.00 71.11 C ATOM 2181 CD2 TYR B 45 -4.667 7.023 -11.305 1.00 75.13 C ATOM 2182 CE1 TYR B 45 -6.298 5.157 -10.143 1.00 21.35 C ATOM 2183 CE2 TYR B 45 -5.630 6.396 -12.059 1.00 13.32 C ATOM 2184 CZ TYR B 45 -6.446 5.461 -11.470 1.00 4.12 C ATOM 2185 OH TYR B 45 -7.410 4.832 -12.215 1.00 40.30 O ATOM 0 H TYR B 45 -1.852 8.681 -7.899 1.00 61.12 H new ATOM 0 HA TYR B 45 -4.550 9.146 -8.473 1.00 13.13 H new ATOM 0 HB2 TYR B 45 -2.788 7.946 -9.836 1.00 21.51 H new ATOM 0 HB3 TYR B 45 -2.831 6.624 -8.687 1.00 21.51 H new ATOM 0 HD1 TYR B 45 -5.217 5.532 -8.369 1.00 71.11 H new ATOM 0 HD2 TYR B 45 -4.027 7.761 -11.766 1.00 75.13 H new ATOM 0 HE1 TYR B 45 -6.942 4.426 -9.678 1.00 21.35 H new ATOM 0 HE2 TYR B 45 -5.744 6.636 -13.106 1.00 13.32 H new ATOM 0 HH TYR B 45 -8.167 4.596 -11.639 1.00 40.30 H new ATOM 2195 N LEU B 46 -4.092 6.690 -6.297 1.00 32.13 N ATOM 2196 CA LEU B 46 -4.785 5.894 -5.293 1.00 31.21 C ATOM 2197 C LEU B 46 -5.229 6.714 -4.094 1.00 53.10 C ATOM 2198 O LEU B 46 -6.286 6.463 -3.538 1.00 70.42 O ATOM 2199 CB LEU B 46 -4.020 4.614 -4.862 1.00 31.41 C ATOM 2200 CG LEU B 46 -3.932 3.450 -5.892 1.00 63.40 C ATOM 2201 CD1 LEU B 46 -3.102 3.790 -7.104 1.00 14.23 C ATOM 2202 CD2 LEU B 46 -3.442 2.173 -5.236 1.00 31.44 C ATOM 0 H LEU B 46 -3.103 6.466 -6.411 1.00 32.13 H new ATOM 0 HA LEU B 46 -5.687 5.545 -5.797 1.00 31.21 H new ATOM 0 HB2 LEU B 46 -3.004 4.903 -4.593 1.00 31.41 H new ATOM 0 HB3 LEU B 46 -4.491 4.229 -3.958 1.00 31.41 H new ATOM 0 HG LEU B 46 -4.948 3.287 -6.253 1.00 63.40 H new ATOM 0 HD11 LEU B 46 -3.081 2.937 -7.782 1.00 14.23 H new ATOM 0 HD12 LEU B 46 -3.538 4.648 -7.615 1.00 14.23 H new ATOM 0 HD13 LEU B 46 -2.086 4.031 -6.793 1.00 14.23 H new ATOM 0 HD21 LEU B 46 -3.391 1.378 -5.980 1.00 31.44 H new ATOM 0 HD22 LEU B 46 -2.451 2.338 -4.813 1.00 31.44 H new ATOM 0 HD23 LEU B 46 -4.131 1.884 -4.443 1.00 31.44 H new ATOM 2214 N LEU B 47 -4.436 7.704 -3.714 1.00 1.22 N ATOM 2215 CA LEU B 47 -4.770 8.541 -2.561 1.00 63.50 C ATOM 2216 C LEU B 47 -5.897 9.541 -2.864 1.00 62.02 C ATOM 2217 O LEU B 47 -6.432 10.172 -1.946 1.00 13.20 O ATOM 2218 CB LEU B 47 -3.535 9.294 -2.034 1.00 65.13 C ATOM 2219 CG LEU B 47 -2.357 8.438 -1.542 1.00 43.13 C ATOM 2220 CD1 LEU B 47 -1.226 9.323 -1.047 1.00 54.43 C ATOM 2221 CD2 LEU B 47 -2.794 7.474 -0.452 1.00 73.32 C ATOM 0 H LEU B 47 -3.562 7.950 -4.180 1.00 1.22 H new ATOM 0 HA LEU B 47 -5.127 7.859 -1.789 1.00 63.50 H new ATOM 0 HB2 LEU B 47 -3.172 9.947 -2.827 1.00 65.13 H new ATOM 0 HB3 LEU B 47 -3.854 9.936 -1.213 1.00 65.13 H new ATOM 0 HG LEU B 47 -1.996 7.849 -2.385 1.00 43.13 H new ATOM 0 HD11 LEU B 47 -0.401 8.700 -0.703 1.00 54.43 H new ATOM 0 HD12 LEU B 47 -0.883 9.963 -1.860 1.00 54.43 H new ATOM 0 HD13 LEU B 47 -1.582 9.942 -0.223 1.00 54.43 H new ATOM 0 HD21 LEU B 47 -1.939 6.883 -0.125 1.00 73.32 H new ATOM 0 HD22 LEU B 47 -3.191 8.036 0.393 1.00 73.32 H new ATOM 0 HD23 LEU B 47 -3.566 6.810 -0.841 1.00 73.32 H new ATOM 2233 N SER B 48 -6.255 9.697 -4.129 1.00 20.20 N ATOM 2234 CA SER B 48 -7.293 10.647 -4.479 1.00 1.05 C ATOM 2235 C SER B 48 -8.537 9.979 -5.072 1.00 1.42 C ATOM 2236 O SER B 48 -9.649 10.528 -4.965 1.00 65.00 O ATOM 2237 CB SER B 48 -6.735 11.674 -5.460 1.00 54.22 C ATOM 2238 OG SER B 48 -6.199 11.026 -6.600 1.00 14.32 O ATOM 0 H SER B 48 -5.850 9.188 -4.915 1.00 20.20 H new ATOM 0 HA SER B 48 -7.608 11.136 -3.557 1.00 1.05 H new ATOM 0 HB2 SER B 48 -7.523 12.363 -5.762 1.00 54.22 H new ATOM 0 HB3 SER B 48 -5.961 12.268 -4.974 1.00 54.22 H new ATOM 0 HG SER B 48 -5.416 10.498 -6.338 1.00 14.32 H new ATOM 2244 N GLY B 49 -8.374 8.796 -5.679 1.00 2.44 N ATOM 2245 CA GLY B 49 -9.508 8.145 -6.287 1.00 31.41 C ATOM 2246 C GLY B 49 -9.668 8.595 -7.718 1.00 63.30 C ATOM 2247 O GLY B 49 -10.647 8.272 -8.383 1.00 52.12 O ATOM 0 H GLY B 49 -7.489 8.294 -5.754 1.00 2.44 H new ATOM 0 HA2 GLY B 49 -9.377 7.064 -6.252 1.00 31.41 H new ATOM 0 HA3 GLY B 49 -10.412 8.375 -5.724 1.00 31.41 H new ATOM 2251 N ASP B 50 -8.679 9.320 -8.195 1.00 32.31 N ATOM 2252 CA ASP B 50 -8.710 9.906 -9.523 1.00 34.44 C ATOM 2253 C ASP B 50 -8.289 8.874 -10.540 1.00 54.23 C ATOM 2254 O ASP B 50 -7.309 8.204 -10.330 1.00 54.44 O ATOM 2255 CB ASP B 50 -7.711 11.040 -9.585 1.00 14.34 C ATOM 2256 CG ASP B 50 -7.894 11.917 -10.796 1.00 21.23 C ATOM 2257 OD1 ASP B 50 -7.387 11.579 -11.883 1.00 75.23 O ATOM 2258 OD2 ASP B 50 -8.543 12.980 -10.666 1.00 5.31 O ATOM 0 H ASP B 50 -7.826 9.522 -7.673 1.00 32.31 H new ATOM 0 HA ASP B 50 -9.719 10.261 -9.733 1.00 34.44 H new ATOM 0 HB2 ASP B 50 -7.803 11.648 -8.685 1.00 14.34 H new ATOM 0 HB3 ASP B 50 -6.702 10.628 -9.590 1.00 14.34 H new ATOM 2263 N PRO B 51 -9.050 8.686 -11.622 1.00 34.14 N ATOM 2264 CA PRO B 51 -8.677 7.787 -12.704 1.00 73.53 C ATOM 2265 C PRO B 51 -7.879 8.482 -13.844 1.00 62.01 C ATOM 2266 O PRO B 51 -7.150 7.829 -14.603 1.00 44.00 O ATOM 2267 CB PRO B 51 -10.019 7.270 -13.211 1.00 60.00 C ATOM 2268 CG PRO B 51 -11.015 8.362 -12.894 1.00 1.42 C ATOM 2269 CD PRO B 51 -10.380 9.284 -11.859 1.00 24.42 C ATOM 0 HA PRO B 51 -8.004 7.003 -12.356 1.00 73.53 H new ATOM 0 HB2 PRO B 51 -9.984 7.069 -14.282 1.00 60.00 H new ATOM 0 HB3 PRO B 51 -10.291 6.336 -12.720 1.00 60.00 H new ATOM 0 HG2 PRO B 51 -11.272 8.919 -13.795 1.00 1.42 H new ATOM 0 HG3 PRO B 51 -11.941 7.935 -12.509 1.00 1.42 H new ATOM 0 HD2 PRO B 51 -10.299 10.306 -12.230 1.00 24.42 H new ATOM 0 HD3 PRO B 51 -10.970 9.323 -10.943 1.00 24.42 H new ATOM 2277 N ALA B 52 -8.029 9.785 -13.945 1.00 15.03 N ATOM 2278 CA ALA B 52 -7.541 10.577 -15.070 1.00 32.23 C ATOM 2279 C ALA B 52 -6.023 10.856 -15.077 1.00 14.32 C ATOM 2280 O ALA B 52 -5.502 11.339 -16.089 1.00 43.32 O ATOM 2281 CB ALA B 52 -8.331 11.862 -15.190 1.00 2.30 C ATOM 0 H ALA B 52 -8.503 10.343 -13.235 1.00 15.03 H new ATOM 0 HA ALA B 52 -7.704 9.953 -15.949 1.00 32.23 H new ATOM 0 HB1 ALA B 52 -7.956 12.442 -16.033 1.00 2.30 H new ATOM 0 HB2 ALA B 52 -9.384 11.628 -15.350 1.00 2.30 H new ATOM 0 HB3 ALA B 52 -8.223 12.442 -14.274 1.00 2.30 H new ATOM 2287 N TYR B 53 -5.309 10.573 -13.979 1.00 44.22 N ATOM 2288 CA TYR B 53 -3.849 10.848 -13.953 1.00 25.40 C ATOM 2289 C TYR B 53 -3.077 10.002 -14.945 1.00 0.22 C ATOM 2290 O TYR B 53 -1.996 10.398 -15.394 1.00 14.22 O ATOM 2291 CB TYR B 53 -3.215 10.611 -12.577 1.00 13.21 C ATOM 2292 CG TYR B 53 -3.620 11.564 -11.512 1.00 41.41 C ATOM 2293 CD1 TYR B 53 -3.612 12.920 -11.743 1.00 3.42 C ATOM 2294 CD2 TYR B 53 -4.003 11.111 -10.273 1.00 62.31 C ATOM 2295 CE1 TYR B 53 -3.980 13.804 -10.774 1.00 34.53 C ATOM 2296 CE2 TYR B 53 -4.378 11.983 -9.281 1.00 75.34 C ATOM 2297 CZ TYR B 53 -4.368 13.337 -9.536 1.00 33.43 C ATOM 2298 OH TYR B 53 -4.756 14.227 -8.559 1.00 31.14 O ATOM 0 H TYR B 53 -5.691 10.169 -13.124 1.00 44.22 H new ATOM 0 HA TYR B 53 -3.779 11.903 -14.217 1.00 25.40 H new ATOM 0 HB2 TYR B 53 -3.465 9.601 -12.251 1.00 13.21 H new ATOM 0 HB3 TYR B 53 -2.131 10.652 -12.684 1.00 13.21 H new ATOM 0 HD1 TYR B 53 -3.308 13.291 -12.711 1.00 3.42 H new ATOM 0 HD2 TYR B 53 -4.009 10.049 -10.076 1.00 62.31 H new ATOM 0 HE1 TYR B 53 -3.968 14.865 -10.974 1.00 34.53 H new ATOM 0 HE2 TYR B 53 -4.677 11.612 -8.312 1.00 75.34 H new ATOM 0 HH TYR B 53 -5.000 13.736 -7.747 1.00 31.14 H new ATOM 2308 N ILE B 54 -3.605 8.855 -15.291 1.00 60.52 N ATOM 2309 CA ILE B 54 -2.897 7.971 -16.184 1.00 64.20 C ATOM 2310 C ILE B 54 -3.230 8.338 -17.627 1.00 45.25 C ATOM 2311 O ILE B 54 -4.402 8.338 -18.024 1.00 73.42 O ATOM 2312 CB ILE B 54 -3.209 6.471 -15.903 1.00 14.02 C ATOM 2313 CG1 ILE B 54 -2.992 6.153 -14.406 1.00 34.55 C ATOM 2314 CG2 ILE B 54 -2.345 5.558 -16.775 1.00 22.14 C ATOM 2315 CD1 ILE B 54 -1.612 6.503 -13.857 1.00 13.42 C ATOM 0 H ILE B 54 -4.512 8.514 -14.973 1.00 60.52 H new ATOM 0 HA ILE B 54 -1.828 8.100 -16.012 1.00 64.20 H new ATOM 0 HB ILE B 54 -4.253 6.286 -16.155 1.00 14.02 H new ATOM 0 HG12 ILE B 54 -3.742 6.690 -13.825 1.00 34.55 H new ATOM 0 HG13 ILE B 54 -3.168 5.089 -14.249 1.00 34.55 H new ATOM 0 HG21 ILE B 54 -2.583 4.517 -16.559 1.00 22.14 H new ATOM 0 HG22 ILE B 54 -2.544 5.765 -17.827 1.00 22.14 H new ATOM 0 HG23 ILE B 54 -1.292 5.741 -16.562 1.00 22.14 H new ATOM 0 HD11 ILE B 54 -1.564 6.241 -12.800 1.00 13.42 H new ATOM 0 HD12 ILE B 54 -0.851 5.947 -14.404 1.00 13.42 H new ATOM 0 HD13 ILE B 54 -1.434 7.572 -13.974 1.00 13.42 H new ATOM 2327 N PRO B 55 -2.210 8.674 -18.421 1.00 62.54 N ATOM 2328 CA PRO B 55 -2.383 9.129 -19.786 1.00 55.24 C ATOM 2329 C PRO B 55 -2.777 8.020 -20.741 1.00 23.51 C ATOM 2330 O PRO B 55 -2.360 6.845 -20.597 1.00 74.22 O ATOM 2331 CB PRO B 55 -0.991 9.650 -20.160 1.00 52.01 C ATOM 2332 CG PRO B 55 -0.072 8.838 -19.336 1.00 71.23 C ATOM 2333 CD PRO B 55 -0.790 8.627 -18.042 1.00 63.23 C ATOM 0 HA PRO B 55 -3.184 9.865 -19.857 1.00 55.24 H new ATOM 0 HB2 PRO B 55 -0.790 9.524 -21.224 1.00 52.01 H new ATOM 0 HB3 PRO B 55 -0.890 10.713 -19.940 1.00 52.01 H new ATOM 0 HG2 PRO B 55 0.156 7.888 -19.820 1.00 71.23 H new ATOM 0 HG3 PRO B 55 0.877 9.352 -19.181 1.00 71.23 H new ATOM 0 HD2 PRO B 55 -0.528 7.671 -17.589 1.00 63.23 H new ATOM 0 HD3 PRO B 55 -0.543 9.402 -17.316 1.00 63.23 H new ATOM 2341 N ARG B 56 -3.561 8.379 -21.719 1.00 32.02 N ATOM 2342 CA ARG B 56 -3.925 7.462 -22.753 1.00 31.40 C ATOM 2343 C ARG B 56 -2.828 7.413 -23.807 1.00 33.35 C ATOM 2344 O ARG B 56 -2.868 8.092 -24.828 1.00 63.01 O ATOM 2345 CB ARG B 56 -5.325 7.746 -23.339 1.00 73.34 C ATOM 2346 CG ARG B 56 -5.546 9.182 -23.783 1.00 65.25 C ATOM 2347 CD ARG B 56 -6.929 9.377 -24.364 1.00 65.25 C ATOM 2348 NE ARG B 56 -7.161 10.776 -24.717 1.00 53.30 N ATOM 2349 CZ ARG B 56 -8.091 11.221 -25.564 1.00 40.02 C ATOM 2350 NH1 ARG B 56 -8.869 10.369 -26.215 1.00 72.13 N ATOM 2351 NH2 ARG B 56 -8.221 12.519 -25.770 1.00 21.20 N ATOM 0 H ARG B 56 -3.962 9.312 -21.818 1.00 32.02 H new ATOM 0 HA ARG B 56 -4.011 6.467 -22.316 1.00 31.40 H new ATOM 0 HB2 ARG B 56 -5.488 7.087 -24.192 1.00 73.34 H new ATOM 0 HB3 ARG B 56 -6.076 7.491 -22.591 1.00 73.34 H new ATOM 0 HG2 ARG B 56 -5.410 9.851 -22.934 1.00 65.25 H new ATOM 0 HG3 ARG B 56 -4.796 9.453 -24.526 1.00 65.25 H new ATOM 0 HD2 ARG B 56 -7.046 8.752 -25.249 1.00 65.25 H new ATOM 0 HD3 ARG B 56 -7.679 9.052 -23.643 1.00 65.25 H new ATOM 0 HE ARG B 56 -6.560 11.473 -24.278 1.00 53.30 H new ATOM 0 HH11 ARG B 56 -8.759 9.365 -26.070 1.00 72.13 H new ATOM 0 HH12 ARG B 56 -9.578 10.717 -26.861 1.00 72.13 H new ATOM 0 HH21 ARG B 56 -7.612 13.176 -25.283 1.00 21.20 H new ATOM 0 HH22 ARG B 56 -8.930 12.864 -26.417 1.00 21.20 H new ATOM 2365 N TYR B 57 -1.783 6.715 -23.448 1.00 34.15 N ATOM 2366 CA TYR B 57 -0.645 6.478 -24.308 1.00 25.44 C ATOM 2367 C TYR B 57 -0.657 5.029 -24.717 1.00 64.21 C ATOM 2368 O TYR B 57 -0.337 4.682 -25.840 1.00 5.22 O ATOM 2369 CB TYR B 57 0.655 6.826 -23.555 1.00 42.23 C ATOM 2370 CG TYR B 57 1.950 6.569 -24.320 1.00 40.35 C ATOM 2371 CD1 TYR B 57 2.286 7.321 -25.433 1.00 3.23 C ATOM 2372 CD2 TYR B 57 2.834 5.577 -23.913 1.00 50.24 C ATOM 2373 CE1 TYR B 57 3.459 7.099 -26.122 1.00 42.24 C ATOM 2374 CE2 TYR B 57 4.014 5.349 -24.598 1.00 51.23 C ATOM 2375 CZ TYR B 57 4.320 6.114 -25.703 1.00 52.35 C ATOM 2376 OH TYR B 57 5.494 5.900 -26.380 1.00 70.53 O ATOM 0 H TYR B 57 -1.694 6.284 -22.528 1.00 34.15 H new ATOM 0 HA TYR B 57 -0.698 7.106 -25.197 1.00 25.44 H new ATOM 0 HB2 TYR B 57 0.622 7.879 -23.277 1.00 42.23 H new ATOM 0 HB3 TYR B 57 0.682 6.252 -22.629 1.00 42.23 H new ATOM 0 HD1 TYR B 57 1.615 8.098 -25.768 1.00 3.23 H new ATOM 0 HD2 TYR B 57 2.596 4.975 -23.049 1.00 50.24 H new ATOM 0 HE1 TYR B 57 3.700 7.697 -26.988 1.00 42.24 H new ATOM 0 HE2 TYR B 57 4.692 4.576 -24.269 1.00 51.23 H new ATOM 0 HH TYR B 57 5.988 5.169 -25.954 1.00 70.53 H new ATOM 2386 N GLN B 58 -1.053 4.193 -23.787 1.00 24.23 N ATOM 2387 CA GLN B 58 -1.159 2.774 -23.991 1.00 63.23 C ATOM 2388 C GLN B 58 -2.376 2.276 -23.247 1.00 42.41 C ATOM 2389 O GLN B 58 -3.045 3.056 -22.545 1.00 55.25 O ATOM 2390 CB GLN B 58 0.096 2.026 -23.481 1.00 34.22 C ATOM 2391 CG GLN B 58 1.385 2.352 -24.223 1.00 2.31 C ATOM 2392 CD GLN B 58 2.582 1.534 -23.753 1.00 42.42 C ATOM 2393 OE1 GLN B 58 2.605 1.155 -22.493 1.00 31.05 O flip ATOM 2394 NE2 GLN B 58 3.486 1.256 -24.530 1.00 3.34 N flip ATOM 0 H GLN B 58 -1.316 4.490 -22.847 1.00 24.23 H new ATOM 0 HA GLN B 58 -1.247 2.581 -25.060 1.00 63.23 H new ATOM 0 HB2 GLN B 58 0.234 2.257 -22.425 1.00 34.22 H new ATOM 0 HB3 GLN B 58 -0.085 0.953 -23.552 1.00 34.22 H new ATOM 0 HG2 GLN B 58 1.234 2.181 -25.289 1.00 2.31 H new ATOM 0 HG3 GLN B 58 1.608 3.412 -24.099 1.00 2.31 H new ATOM 0 HE21 GLN B 58 3.437 1.565 -25.501 1.00 3.34 H new ATOM 0 HE22 GLN B 58 4.288 0.715 -24.207 1.00 3.34 H new ATOM 2403 N ASP B 59 -2.627 0.983 -23.351 1.00 53.33 N ATOM 2404 CA ASP B 59 -3.753 0.295 -22.678 1.00 15.21 C ATOM 2405 C ASP B 59 -3.692 0.406 -21.168 1.00 4.53 C ATOM 2406 O ASP B 59 -4.637 0.058 -20.487 1.00 51.40 O ATOM 2407 CB ASP B 59 -3.859 -1.174 -23.087 1.00 0.13 C ATOM 2408 CG ASP B 59 -4.289 -1.367 -24.520 1.00 10.41 C ATOM 2409 OD1 ASP B 59 -3.421 -1.355 -25.433 1.00 24.04 O ATOM 2410 OD2 ASP B 59 -5.500 -1.543 -24.759 1.00 45.50 O ATOM 0 H ASP B 59 -2.052 0.355 -23.913 1.00 53.33 H new ATOM 0 HA ASP B 59 -4.650 0.814 -23.015 1.00 15.21 H new ATOM 0 HB2 ASP B 59 -2.893 -1.656 -22.937 1.00 0.13 H new ATOM 0 HB3 ASP B 59 -4.570 -1.676 -22.431 1.00 0.13 H new ATOM 2415 N ALA B 60 -2.567 0.875 -20.662 1.00 40.50 N ATOM 2416 CA ALA B 60 -2.315 1.028 -19.232 1.00 3.13 C ATOM 2417 C ALA B 60 -3.462 1.745 -18.503 1.00 61.43 C ATOM 2418 O ALA B 60 -3.849 1.337 -17.413 1.00 11.00 O ATOM 2419 CB ALA B 60 -1.032 1.800 -19.031 1.00 14.51 C ATOM 0 H ALA B 60 -1.782 1.168 -21.243 1.00 40.50 H new ATOM 0 HA ALA B 60 -2.235 0.028 -18.806 1.00 3.13 H new ATOM 0 HB1 ALA B 60 -0.841 1.916 -17.964 1.00 14.51 H new ATOM 0 HB2 ALA B 60 -0.206 1.258 -19.491 1.00 14.51 H new ATOM 0 HB3 ALA B 60 -1.123 2.783 -19.493 1.00 14.51 H new ATOM 2425 N ARG B 61 -4.016 2.791 -19.116 1.00 42.45 N ATOM 2426 CA ARG B 61 -5.113 3.522 -18.491 1.00 71.32 C ATOM 2427 C ARG B 61 -6.384 2.669 -18.412 1.00 3.25 C ATOM 2428 O ARG B 61 -7.164 2.781 -17.476 1.00 30.23 O ATOM 2429 CB ARG B 61 -5.338 4.943 -19.110 1.00 31.53 C ATOM 2430 CG ARG B 61 -5.747 5.040 -20.597 1.00 41.52 C ATOM 2431 CD ARG B 61 -7.170 4.550 -20.858 1.00 62.14 C ATOM 2432 NE ARG B 61 -8.162 5.263 -20.035 1.00 51.41 N ATOM 2433 CZ ARG B 61 -9.481 5.039 -20.051 1.00 30.44 C ATOM 2434 NH1 ARG B 61 -10.001 4.116 -20.864 1.00 2.40 N ATOM 2435 NH2 ARG B 61 -10.277 5.736 -19.246 1.00 20.25 N ATOM 0 H ARG B 61 -3.728 3.145 -20.028 1.00 42.45 H new ATOM 0 HA ARG B 61 -4.818 3.723 -17.461 1.00 71.32 H new ATOM 0 HB2 ARG B 61 -6.106 5.444 -18.521 1.00 31.53 H new ATOM 0 HB3 ARG B 61 -4.417 5.511 -18.981 1.00 31.53 H new ATOM 0 HG2 ARG B 61 -5.659 6.076 -20.925 1.00 41.52 H new ATOM 0 HG3 ARG B 61 -5.051 4.455 -21.198 1.00 41.52 H new ATOM 0 HD2 ARG B 61 -7.411 4.684 -21.913 1.00 62.14 H new ATOM 0 HD3 ARG B 61 -7.229 3.481 -20.651 1.00 62.14 H new ATOM 0 HE ARG B 61 -7.816 5.985 -19.403 1.00 51.41 H new ATOM 0 HH11 ARG B 61 -9.392 3.576 -21.478 1.00 2.40 H new ATOM 0 HH12 ARG B 61 -11.008 3.951 -20.871 1.00 2.40 H new ATOM 0 HH21 ARG B 61 -9.881 6.438 -18.620 1.00 20.25 H new ATOM 0 HH22 ARG B 61 -11.283 5.569 -19.254 1.00 20.25 H new ATOM 2449 N ASN B 62 -6.565 1.813 -19.405 1.00 51.42 N ATOM 2450 CA ASN B 62 -7.714 0.917 -19.471 1.00 64.50 C ATOM 2451 C ASN B 62 -7.541 -0.123 -18.381 1.00 13.35 C ATOM 2452 O ASN B 62 -8.439 -0.376 -17.591 1.00 12.33 O ATOM 2453 CB ASN B 62 -7.734 0.214 -20.846 1.00 32.24 C ATOM 2454 CG ASN B 62 -9.000 -0.595 -21.137 1.00 40.31 C ATOM 2455 OD1 ASN B 62 -9.663 -1.108 -20.243 1.00 42.32 O ATOM 2456 ND2 ASN B 62 -9.319 -0.723 -22.401 1.00 54.51 N ATOM 0 H ASN B 62 -5.920 1.718 -20.190 1.00 51.42 H new ATOM 0 HA ASN B 62 -8.645 1.469 -19.339 1.00 64.50 H new ATOM 0 HB2 ASN B 62 -7.615 0.967 -21.625 1.00 32.24 H new ATOM 0 HB3 ASN B 62 -6.873 -0.451 -20.911 1.00 32.24 H new ATOM 0 HD21 ASN B 62 -10.142 -1.263 -22.667 1.00 54.51 H new ATOM 0 HD22 ASN B 62 -8.744 -0.282 -23.119 1.00 54.51 H new ATOM 2463 N LEU B 63 -6.340 -0.670 -18.322 1.00 72.32 N ATOM 2464 CA LEU B 63 -5.976 -1.708 -17.373 1.00 11.01 C ATOM 2465 C LEU B 63 -6.104 -1.228 -15.927 1.00 15.55 C ATOM 2466 O LEU B 63 -6.564 -1.976 -15.054 1.00 24.52 O ATOM 2467 CB LEU B 63 -4.548 -2.181 -17.643 1.00 31.01 C ATOM 2468 CG LEU B 63 -4.270 -2.730 -19.044 1.00 43.41 C ATOM 2469 CD1 LEU B 63 -2.811 -3.117 -19.179 1.00 35.41 C ATOM 2470 CD2 LEU B 63 -5.169 -3.919 -19.351 1.00 62.10 C ATOM 0 H LEU B 63 -5.577 -0.401 -18.943 1.00 72.32 H new ATOM 0 HA LEU B 63 -6.669 -2.538 -17.507 1.00 11.01 H new ATOM 0 HB2 LEU B 63 -3.871 -1.346 -17.462 1.00 31.01 H new ATOM 0 HB3 LEU B 63 -4.301 -2.955 -16.917 1.00 31.01 H new ATOM 0 HG LEU B 63 -4.490 -1.945 -19.767 1.00 43.41 H new ATOM 0 HD11 LEU B 63 -2.629 -3.506 -20.181 1.00 35.41 H new ATOM 0 HD12 LEU B 63 -2.185 -2.241 -19.010 1.00 35.41 H new ATOM 0 HD13 LEU B 63 -2.568 -3.883 -18.443 1.00 35.41 H new ATOM 0 HD21 LEU B 63 -4.952 -4.291 -20.352 1.00 62.10 H new ATOM 0 HD22 LEU B 63 -4.988 -4.710 -18.623 1.00 62.10 H new ATOM 0 HD23 LEU B 63 -6.213 -3.609 -19.298 1.00 62.10 H new ATOM 2482 N ILE B 64 -5.730 0.024 -15.666 1.00 32.30 N ATOM 2483 CA ILE B 64 -5.800 0.551 -14.303 1.00 1.24 C ATOM 2484 C ILE B 64 -7.268 0.851 -13.932 1.00 32.30 C ATOM 2485 O ILE B 64 -7.608 1.100 -12.780 1.00 51.30 O ATOM 2486 CB ILE B 64 -4.879 1.802 -14.087 1.00 43.44 C ATOM 2487 CG1 ILE B 64 -4.670 2.058 -12.581 1.00 61.43 C ATOM 2488 CG2 ILE B 64 -5.483 3.045 -14.753 1.00 74.44 C ATOM 2489 CD1 ILE B 64 -3.687 3.167 -12.267 1.00 42.25 C ATOM 0 H ILE B 64 -5.382 0.681 -16.364 1.00 32.30 H new ATOM 0 HA ILE B 64 -5.416 -0.216 -13.631 1.00 1.24 H new ATOM 0 HB ILE B 64 -3.913 1.598 -14.550 1.00 43.44 H new ATOM 0 HG12 ILE B 64 -5.631 2.302 -12.129 1.00 61.43 H new ATOM 0 HG13 ILE B 64 -4.322 1.137 -12.113 1.00 61.43 H new ATOM 0 HG21 ILE B 64 -4.827 3.900 -14.590 1.00 74.44 H new ATOM 0 HG22 ILE B 64 -5.590 2.869 -15.823 1.00 74.44 H new ATOM 0 HG23 ILE B 64 -6.462 3.251 -14.320 1.00 74.44 H new ATOM 0 HD11 ILE B 64 -3.600 3.281 -11.186 1.00 42.25 H new ATOM 0 HD12 ILE B 64 -2.712 2.918 -12.686 1.00 42.25 H new ATOM 0 HD13 ILE B 64 -4.041 4.101 -12.702 1.00 42.25 H new ATOM 2501 N ARG B 65 -8.132 0.821 -14.932 1.00 13.24 N ATOM 2502 CA ARG B 65 -9.542 0.961 -14.709 1.00 12.24 C ATOM 2503 C ARG B 65 -10.222 -0.393 -14.711 1.00 25.24 C ATOM 2504 O ARG B 65 -11.439 -0.492 -14.657 1.00 44.33 O ATOM 2505 CB ARG B 65 -10.203 1.934 -15.691 1.00 33.34 C ATOM 2506 CG ARG B 65 -9.733 3.372 -15.520 1.00 31.11 C ATOM 2507 CD ARG B 65 -9.798 3.786 -14.047 1.00 21.33 C ATOM 2508 NE ARG B 65 -11.121 3.550 -13.449 1.00 20.42 N ATOM 2509 CZ ARG B 65 -11.360 2.765 -12.374 1.00 31.23 C ATOM 2510 NH1 ARG B 65 -10.363 2.131 -11.750 1.00 42.14 N ATOM 2511 NH2 ARG B 65 -12.592 2.602 -11.942 1.00 4.04 N ATOM 0 H ARG B 65 -7.869 0.699 -15.910 1.00 13.24 H new ATOM 0 HA ARG B 65 -9.669 1.402 -13.721 1.00 12.24 H new ATOM 0 HB2 ARG B 65 -9.994 1.609 -16.710 1.00 33.34 H new ATOM 0 HB3 ARG B 65 -11.284 1.894 -15.559 1.00 33.34 H new ATOM 0 HG2 ARG B 65 -8.712 3.473 -15.888 1.00 31.11 H new ATOM 0 HG3 ARG B 65 -10.355 4.038 -16.119 1.00 31.11 H new ATOM 0 HD2 ARG B 65 -9.046 3.233 -13.485 1.00 21.33 H new ATOM 0 HD3 ARG B 65 -9.548 4.843 -13.960 1.00 21.33 H new ATOM 0 HE ARG B 65 -11.921 4.015 -13.879 1.00 20.42 H new ATOM 0 HH11 ARG B 65 -9.405 2.235 -12.083 1.00 42.14 H new ATOM 0 HH12 ARG B 65 -10.560 1.543 -10.941 1.00 42.14 H new ATOM 0 HH21 ARG B 65 -13.365 3.067 -12.418 1.00 4.04 H new ATOM 0 HH22 ARG B 65 -12.774 2.010 -11.131 1.00 4.04 H new ATOM 2525 N ARG B 66 -9.419 -1.434 -14.760 1.00 2.44 N ATOM 2526 CA ARG B 66 -9.910 -2.792 -14.672 1.00 64.01 C ATOM 2527 C ARG B 66 -9.731 -3.299 -13.247 1.00 41.44 C ATOM 2528 O ARG B 66 -9.996 -4.462 -12.943 1.00 25.30 O ATOM 2529 CB ARG B 66 -9.185 -3.713 -15.665 1.00 15.44 C ATOM 2530 CG ARG B 66 -9.398 -3.360 -17.136 1.00 73.03 C ATOM 2531 CD ARG B 66 -10.865 -3.445 -17.520 1.00 43.23 C ATOM 2532 NE ARG B 66 -11.096 -3.127 -18.930 1.00 21.21 N ATOM 2533 CZ ARG B 66 -12.203 -3.449 -19.610 1.00 31.32 C ATOM 2534 NH1 ARG B 66 -13.209 -4.063 -19.002 1.00 75.02 N ATOM 2535 NH2 ARG B 66 -12.304 -3.150 -20.894 1.00 44.51 N ATOM 0 H ARG B 66 -8.407 -1.362 -14.862 1.00 2.44 H new ATOM 0 HA ARG B 66 -10.968 -2.799 -14.932 1.00 64.01 H new ATOM 0 HB2 ARG B 66 -8.117 -3.687 -15.450 1.00 15.44 H new ATOM 0 HB3 ARG B 66 -9.518 -4.737 -15.499 1.00 15.44 H new ATOM 0 HG2 ARG B 66 -9.028 -2.353 -17.327 1.00 73.03 H new ATOM 0 HG3 ARG B 66 -8.817 -4.037 -17.762 1.00 73.03 H new ATOM 0 HD2 ARG B 66 -11.234 -4.450 -17.313 1.00 43.23 H new ATOM 0 HD3 ARG B 66 -11.440 -2.760 -16.898 1.00 43.23 H new ATOM 0 HE ARG B 66 -10.362 -2.625 -19.429 1.00 21.21 H new ATOM 0 HH11 ARG B 66 -13.142 -4.293 -18.010 1.00 75.02 H new ATOM 0 HH12 ARG B 66 -14.050 -4.306 -19.526 1.00 75.02 H new ATOM 0 HH21 ARG B 66 -11.537 -2.673 -21.368 1.00 44.51 H new ATOM 0 HH22 ARG B 66 -13.149 -3.396 -21.410 1.00 44.51 H new ATOM 2549 N HIS B 67 -9.262 -2.415 -12.380 1.00 24.42 N ATOM 2550 CA HIS B 67 -9.071 -2.699 -10.959 1.00 50.33 C ATOM 2551 C HIS B 67 -9.310 -1.438 -10.176 1.00 10.54 C ATOM 2552 O HIS B 67 -9.074 -0.341 -10.680 1.00 3.01 O ATOM 2553 CB HIS B 67 -7.643 -3.198 -10.637 1.00 4.13 C ATOM 2554 CG HIS B 67 -7.265 -4.518 -11.215 1.00 52.11 C ATOM 2555 ND1 HIS B 67 -7.357 -5.693 -10.519 1.00 62.11 N ATOM 2556 CD2 HIS B 67 -6.771 -4.845 -12.432 1.00 11.04 C ATOM 2557 CE1 HIS B 67 -6.946 -6.681 -11.277 1.00 55.22 C ATOM 2558 NE2 HIS B 67 -6.583 -6.194 -12.445 1.00 44.35 N ATOM 0 H HIS B 67 -8.998 -1.466 -12.644 1.00 24.42 H new ATOM 0 HA HIS B 67 -9.774 -3.487 -10.689 1.00 50.33 H new ATOM 0 HB2 HIS B 67 -6.931 -2.452 -10.990 1.00 4.13 H new ATOM 0 HB3 HIS B 67 -7.535 -3.254 -9.554 1.00 4.13 H new ATOM 0 HD1 HIS B 67 -7.693 -5.786 -9.560 1.00 62.11 H new ATOM 0 HD2 HIS B 67 -6.564 -4.162 -13.243 1.00 11.04 H new ATOM 0 HE1 HIS B 67 -6.911 -7.722 -10.991 1.00 55.22 H new ATOM 2567 N GLU B 68 -9.793 -1.577 -8.980 1.00 73.13 N ATOM 2568 CA GLU B 68 -9.981 -0.446 -8.118 1.00 73.42 C ATOM 2569 C GLU B 68 -8.759 -0.168 -7.290 1.00 1.12 C ATOM 2570 O GLU B 68 -7.964 -1.050 -7.025 1.00 61.52 O ATOM 2571 CB GLU B 68 -11.206 -0.607 -7.242 1.00 42.33 C ATOM 2572 CG GLU B 68 -12.496 -0.464 -8.000 1.00 61.22 C ATOM 2573 CD GLU B 68 -12.580 0.875 -8.702 1.00 73.42 C ATOM 2574 OE1 GLU B 68 -12.586 0.903 -9.937 1.00 12.32 O ATOM 2575 OE2 GLU B 68 -12.599 1.916 -8.016 1.00 12.24 O ATOM 0 H GLU B 68 -10.067 -2.471 -8.573 1.00 73.13 H new ATOM 0 HA GLU B 68 -10.146 0.418 -8.762 1.00 73.42 H new ATOM 0 HB2 GLU B 68 -11.178 -1.587 -6.765 1.00 42.33 H new ATOM 0 HB3 GLU B 68 -11.176 0.136 -6.445 1.00 42.33 H new ATOM 0 HG2 GLU B 68 -12.580 -1.266 -8.733 1.00 61.22 H new ATOM 0 HG3 GLU B 68 -13.336 -0.570 -7.314 1.00 61.22 H new ATOM 2582 N ARG B 69 -8.640 1.063 -6.870 1.00 22.02 N ATOM 2583 CA ARG B 69 -7.513 1.545 -6.088 1.00 45.22 C ATOM 2584 C ARG B 69 -7.423 0.843 -4.756 1.00 13.22 C ATOM 2585 O ARG B 69 -6.339 0.464 -4.325 1.00 3.03 O ATOM 2586 CB ARG B 69 -7.656 3.038 -5.911 1.00 64.41 C ATOM 2587 CG ARG B 69 -7.424 3.795 -7.192 1.00 2.23 C ATOM 2588 CD ARG B 69 -8.380 4.942 -7.357 1.00 14.23 C ATOM 2589 NE ARG B 69 -9.731 4.451 -7.661 1.00 30.22 N ATOM 2590 CZ ARG B 69 -10.418 4.744 -8.782 1.00 44.01 C ATOM 2591 NH1 ARG B 69 -9.936 5.640 -9.652 1.00 13.02 N ATOM 2592 NH2 ARG B 69 -11.575 4.137 -9.034 1.00 41.03 N ATOM 0 H ARG B 69 -9.337 1.783 -7.062 1.00 22.02 H new ATOM 0 HA ARG B 69 -6.586 1.326 -6.617 1.00 45.22 H new ATOM 0 HB2 ARG B 69 -8.655 3.262 -5.536 1.00 64.41 H new ATOM 0 HB3 ARG B 69 -6.948 3.381 -5.157 1.00 64.41 H new ATOM 0 HG2 ARG B 69 -6.401 4.172 -7.209 1.00 2.23 H new ATOM 0 HG3 ARG B 69 -7.527 3.115 -8.037 1.00 2.23 H new ATOM 0 HD2 ARG B 69 -8.401 5.539 -6.445 1.00 14.23 H new ATOM 0 HD3 ARG B 69 -8.036 5.596 -8.158 1.00 14.23 H new ATOM 0 HE ARG B 69 -10.181 3.845 -6.974 1.00 30.22 H new ATOM 0 HH11 ARG B 69 -9.046 6.103 -9.467 1.00 13.02 H new ATOM 0 HH12 ARG B 69 -10.459 5.860 -10.500 1.00 13.02 H new ATOM 0 HH21 ARG B 69 -11.943 3.448 -8.378 1.00 41.03 H new ATOM 0 HH22 ARG B 69 -12.094 4.360 -9.883 1.00 41.03 H new ATOM 2606 N ASP B 70 -8.568 0.652 -4.127 1.00 45.22 N ATOM 2607 CA ASP B 70 -8.647 -0.041 -2.842 1.00 52.42 C ATOM 2608 C ASP B 70 -8.160 -1.467 -3.011 1.00 45.01 C ATOM 2609 O ASP B 70 -7.479 -2.015 -2.152 1.00 74.15 O ATOM 2610 CB ASP B 70 -10.103 -0.097 -2.342 1.00 10.15 C ATOM 2611 CG ASP B 70 -10.766 1.251 -2.207 1.00 23.44 C ATOM 2612 OD1 ASP B 70 -10.697 1.860 -1.122 1.00 4.21 O ATOM 2613 OD2 ASP B 70 -11.400 1.707 -3.194 1.00 23.40 O ATOM 0 H ASP B 70 -9.469 0.969 -4.485 1.00 45.22 H new ATOM 0 HA ASP B 70 -8.032 0.501 -2.124 1.00 52.42 H new ATOM 0 HB2 ASP B 70 -10.687 -0.709 -3.029 1.00 10.15 H new ATOM 0 HB3 ASP B 70 -10.123 -0.597 -1.374 1.00 10.15 H new ATOM 2618 N GLU B 71 -8.506 -2.035 -4.146 1.00 14.21 N ATOM 2619 CA GLU B 71 -8.224 -3.416 -4.482 1.00 21.24 C ATOM 2620 C GLU B 71 -6.718 -3.561 -4.801 1.00 74.01 C ATOM 2621 O GLU B 71 -6.026 -4.401 -4.225 1.00 64.13 O ATOM 2622 CB GLU B 71 -9.155 -3.780 -5.676 1.00 30.32 C ATOM 2623 CG GLU B 71 -9.348 -5.258 -6.017 1.00 1.24 C ATOM 2624 CD GLU B 71 -8.200 -5.916 -6.713 1.00 74.24 C ATOM 2625 OE1 GLU B 71 -8.132 -5.821 -7.981 1.00 5.30 O ATOM 2626 OE2 GLU B 71 -7.395 -6.572 -6.037 1.00 22.11 O ATOM 0 H GLU B 71 -9.005 -1.536 -4.882 1.00 14.21 H new ATOM 0 HA GLU B 71 -8.424 -4.107 -3.663 1.00 21.24 H new ATOM 0 HB2 GLU B 71 -10.138 -3.354 -5.474 1.00 30.32 H new ATOM 0 HB3 GLU B 71 -8.768 -3.281 -6.564 1.00 30.32 H new ATOM 0 HG2 GLU B 71 -9.550 -5.802 -5.094 1.00 1.24 H new ATOM 0 HG3 GLU B 71 -10.234 -5.355 -6.645 1.00 1.24 H new ATOM 2633 N ILE B 72 -6.219 -2.687 -5.679 1.00 53.01 N ATOM 2634 CA ILE B 72 -4.803 -2.658 -6.075 1.00 73.33 C ATOM 2635 C ILE B 72 -3.876 -2.478 -4.861 1.00 25.30 C ATOM 2636 O ILE B 72 -2.850 -3.163 -4.736 1.00 32.34 O ATOM 2637 CB ILE B 72 -4.529 -1.500 -7.094 1.00 45.53 C ATOM 2638 CG1 ILE B 72 -5.301 -1.724 -8.402 1.00 73.25 C ATOM 2639 CG2 ILE B 72 -3.034 -1.334 -7.370 1.00 23.13 C ATOM 2640 CD1 ILE B 72 -5.130 -0.611 -9.422 1.00 71.43 C ATOM 0 H ILE B 72 -6.786 -1.975 -6.139 1.00 53.01 H new ATOM 0 HA ILE B 72 -4.590 -3.619 -6.544 1.00 73.33 H new ATOM 0 HB ILE B 72 -4.886 -0.576 -6.639 1.00 45.53 H new ATOM 0 HG12 ILE B 72 -4.975 -2.664 -8.848 1.00 73.25 H new ATOM 0 HG13 ILE B 72 -6.361 -1.832 -8.172 1.00 73.25 H new ATOM 0 HG21 ILE B 72 -2.883 -0.522 -8.081 1.00 23.13 H new ATOM 0 HG22 ILE B 72 -2.516 -1.103 -6.439 1.00 23.13 H new ATOM 0 HG23 ILE B 72 -2.636 -2.259 -7.786 1.00 23.13 H new ATOM 0 HD11 ILE B 72 -5.707 -0.846 -10.317 1.00 71.43 H new ATOM 0 HD12 ILE B 72 -5.484 0.329 -8.998 1.00 71.43 H new ATOM 0 HD13 ILE B 72 -4.076 -0.517 -9.684 1.00 71.43 H new ATOM 2652 N MET B 73 -4.255 -1.574 -3.969 1.00 4.45 N ATOM 2653 CA MET B 73 -3.428 -1.221 -2.822 1.00 11.42 C ATOM 2654 C MET B 73 -3.187 -2.449 -1.915 1.00 72.53 C ATOM 2655 O MET B 73 -2.076 -2.634 -1.391 1.00 73.25 O ATOM 2656 CB MET B 73 -4.063 -0.037 -2.064 1.00 31.53 C ATOM 2657 CG MET B 73 -3.143 0.706 -1.084 1.00 52.22 C ATOM 2658 SD MET B 73 -2.595 -0.268 0.321 1.00 41.24 S ATOM 2659 CE MET B 73 -1.565 0.915 1.158 1.00 34.03 C ATOM 0 H MET B 73 -5.139 -1.067 -4.018 1.00 4.45 H new ATOM 0 HA MET B 73 -2.446 -0.900 -3.169 1.00 11.42 H new ATOM 0 HB2 MET B 73 -4.435 0.680 -2.796 1.00 31.53 H new ATOM 0 HB3 MET B 73 -4.927 -0.406 -1.511 1.00 31.53 H new ATOM 0 HG2 MET B 73 -2.266 1.059 -1.627 1.00 52.22 H new ATOM 0 HG3 MET B 73 -3.666 1.588 -0.715 1.00 52.22 H new ATOM 0 HE1 MET B 73 -1.566 0.706 2.228 1.00 34.03 H new ATOM 0 HE2 MET B 73 -0.547 0.846 0.776 1.00 34.03 H new ATOM 0 HE3 MET B 73 -1.950 1.920 0.984 1.00 34.03 H new ATOM 2669 N GLU B 74 -4.203 -3.313 -1.771 1.00 51.10 N ATOM 2670 CA GLU B 74 -4.051 -4.538 -0.975 1.00 34.41 C ATOM 2671 C GLU B 74 -2.908 -5.389 -1.522 1.00 64.05 C ATOM 2672 O GLU B 74 -2.051 -5.863 -0.771 1.00 61.44 O ATOM 2673 CB GLU B 74 -5.321 -5.388 -0.992 1.00 35.52 C ATOM 2674 CG GLU B 74 -6.544 -4.775 -0.354 1.00 0.55 C ATOM 2675 CD GLU B 74 -7.713 -5.737 -0.391 1.00 31.14 C ATOM 2676 OE1 GLU B 74 -8.589 -5.605 -1.271 1.00 43.32 O ATOM 2677 OE2 GLU B 74 -7.755 -6.667 0.445 1.00 45.54 O ATOM 0 H GLU B 74 -5.125 -3.189 -2.189 1.00 51.10 H new ATOM 0 HA GLU B 74 -3.843 -4.224 0.048 1.00 34.41 H new ATOM 0 HB2 GLU B 74 -5.559 -5.627 -2.029 1.00 35.52 H new ATOM 0 HB3 GLU B 74 -5.108 -6.331 -0.488 1.00 35.52 H new ATOM 0 HG2 GLU B 74 -6.323 -4.504 0.679 1.00 0.55 H new ATOM 0 HG3 GLU B 74 -6.808 -3.855 -0.875 1.00 0.55 H new ATOM 2684 N GLU B 75 -2.889 -5.542 -2.833 1.00 42.23 N ATOM 2685 CA GLU B 75 -1.901 -6.361 -3.512 1.00 25.00 C ATOM 2686 C GLU B 75 -0.508 -5.749 -3.361 1.00 13.44 C ATOM 2687 O GLU B 75 0.484 -6.471 -3.190 1.00 50.44 O ATOM 2688 CB GLU B 75 -2.293 -6.519 -4.981 1.00 64.04 C ATOM 2689 CG GLU B 75 -1.450 -7.505 -5.781 1.00 30.14 C ATOM 2690 CD GLU B 75 -1.436 -8.899 -5.175 1.00 11.42 C ATOM 2691 OE1 GLU B 75 -0.339 -9.385 -4.837 1.00 64.03 O ATOM 2692 OE2 GLU B 75 -2.524 -9.513 -5.003 1.00 72.41 O ATOM 0 H GLU B 75 -3.561 -5.100 -3.460 1.00 42.23 H new ATOM 0 HA GLU B 75 -1.871 -7.352 -3.058 1.00 25.00 H new ATOM 0 HB2 GLU B 75 -3.335 -6.835 -5.029 1.00 64.04 H new ATOM 0 HB3 GLU B 75 -2.234 -5.543 -5.462 1.00 64.04 H new ATOM 0 HG2 GLU B 75 -1.834 -7.561 -6.800 1.00 30.14 H new ATOM 0 HG3 GLU B 75 -0.428 -7.132 -5.846 1.00 30.14 H new ATOM 2699 N LEU B 76 -0.449 -4.416 -3.384 1.00 32.13 N ATOM 2700 CA LEU B 76 0.807 -3.696 -3.191 1.00 4.12 C ATOM 2701 C LEU B 76 1.373 -4.015 -1.820 1.00 11.45 C ATOM 2702 O LEU B 76 2.544 -4.393 -1.691 1.00 4.31 O ATOM 2703 CB LEU B 76 0.596 -2.173 -3.294 1.00 2.35 C ATOM 2704 CG LEU B 76 0.026 -1.632 -4.607 1.00 31.51 C ATOM 2705 CD1 LEU B 76 -0.128 -0.121 -4.534 1.00 33.01 C ATOM 2706 CD2 LEU B 76 0.913 -2.009 -5.771 1.00 22.11 C ATOM 0 H LEU B 76 -1.259 -3.814 -3.535 1.00 32.13 H new ATOM 0 HA LEU B 76 1.498 -4.012 -3.972 1.00 4.12 H new ATOM 0 HB2 LEU B 76 -0.070 -1.869 -2.486 1.00 2.35 H new ATOM 0 HB3 LEU B 76 1.555 -1.687 -3.117 1.00 2.35 H new ATOM 0 HG LEU B 76 -0.956 -2.079 -4.762 1.00 31.51 H new ATOM 0 HD11 LEU B 76 -0.534 0.249 -5.475 1.00 33.01 H new ATOM 0 HD12 LEU B 76 -0.805 0.137 -3.720 1.00 33.01 H new ATOM 0 HD13 LEU B 76 0.845 0.336 -4.355 1.00 33.01 H new ATOM 0 HD21 LEU B 76 0.489 -1.614 -6.694 1.00 22.11 H new ATOM 0 HD22 LEU B 76 1.908 -1.590 -5.621 1.00 22.11 H new ATOM 0 HD23 LEU B 76 0.983 -3.095 -5.839 1.00 22.11 H new ATOM 2718 N THR B 77 0.523 -3.899 -0.807 1.00 10.10 N ATOM 2719 CA THR B 77 0.929 -4.141 0.557 1.00 42.02 C ATOM 2720 C THR B 77 1.348 -5.614 0.766 1.00 31.32 C ATOM 2721 O THR B 77 2.380 -5.896 1.394 1.00 72.21 O ATOM 2722 CB THR B 77 -0.213 -3.757 1.519 1.00 41.12 C ATOM 2723 OG1 THR B 77 -0.591 -2.399 1.265 1.00 5.34 O ATOM 2724 CG2 THR B 77 0.236 -3.872 2.965 1.00 21.44 C ATOM 0 H THR B 77 -0.457 -3.637 -0.914 1.00 10.10 H new ATOM 0 HA THR B 77 1.799 -3.520 0.772 1.00 42.02 H new ATOM 0 HB THR B 77 -1.052 -4.434 1.355 1.00 41.12 H new ATOM 0 HG1 THR B 77 -1.318 -2.379 0.608 1.00 5.34 H new ATOM 0 HG21 THR B 77 -0.587 -3.596 3.625 1.00 21.44 H new ATOM 0 HG22 THR B 77 0.538 -4.899 3.172 1.00 21.44 H new ATOM 0 HG23 THR B 77 1.080 -3.204 3.138 1.00 21.44 H new ATOM 2732 N LYS B 78 0.568 -6.540 0.207 1.00 50.43 N ATOM 2733 CA LYS B 78 0.859 -7.965 0.340 1.00 65.40 C ATOM 2734 C LYS B 78 2.176 -8.333 -0.284 1.00 52.40 C ATOM 2735 O LYS B 78 3.024 -8.919 0.364 1.00 4.42 O ATOM 2736 CB LYS B 78 -0.213 -8.832 -0.294 1.00 45.31 C ATOM 2737 CG LYS B 78 -1.575 -8.756 0.342 1.00 20.34 C ATOM 2738 CD LYS B 78 -2.562 -9.700 -0.352 1.00 62.43 C ATOM 2739 CE LYS B 78 -2.660 -9.407 -1.843 1.00 73.14 C ATOM 2740 NZ LYS B 78 -3.548 -10.338 -2.557 1.00 72.15 N ATOM 0 H LYS B 78 -0.267 -6.328 -0.340 1.00 50.43 H new ATOM 0 HA LYS B 78 0.893 -8.150 1.414 1.00 65.40 H new ATOM 0 HB2 LYS B 78 -0.306 -8.553 -1.344 1.00 45.31 H new ATOM 0 HB3 LYS B 78 0.122 -9.869 -0.269 1.00 45.31 H new ATOM 0 HG2 LYS B 78 -1.501 -9.015 1.398 1.00 20.34 H new ATOM 0 HG3 LYS B 78 -1.948 -7.733 0.290 1.00 20.34 H new ATOM 0 HD2 LYS B 78 -2.246 -10.732 -0.203 1.00 62.43 H new ATOM 0 HD3 LYS B 78 -3.546 -9.599 0.105 1.00 62.43 H new ATOM 0 HE2 LYS B 78 -3.022 -8.389 -1.984 1.00 73.14 H new ATOM 0 HE3 LYS B 78 -1.664 -9.455 -2.283 1.00 73.14 H new ATOM 0 HZ1 LYS B 78 -3.383 -10.259 -3.581 1.00 72.15 H new ATOM 0 HZ2 LYS B 78 -3.350 -11.311 -2.249 1.00 72.15 H new ATOM 0 HZ3 LYS B 78 -4.539 -10.103 -2.346 1.00 72.15 H new ATOM 2754 N TYR B 79 2.350 -7.981 -1.547 1.00 61.21 N ATOM 2755 CA TYR B 79 3.533 -8.389 -2.284 1.00 31.01 C ATOM 2756 C TYR B 79 4.802 -7.788 -1.683 1.00 75.54 C ATOM 2757 O TYR B 79 5.853 -8.430 -1.667 1.00 62.24 O ATOM 2758 CB TYR B 79 3.398 -8.062 -3.772 1.00 53.35 C ATOM 2759 CG TYR B 79 4.515 -8.622 -4.618 1.00 12.00 C ATOM 2760 CD1 TYR B 79 4.581 -9.983 -4.884 1.00 55.52 C ATOM 2761 CD2 TYR B 79 5.494 -7.801 -5.156 1.00 72.45 C ATOM 2762 CE1 TYR B 79 5.591 -10.513 -5.656 1.00 62.31 C ATOM 2763 CE2 TYR B 79 6.507 -8.323 -5.931 1.00 3.02 C ATOM 2764 CZ TYR B 79 6.552 -9.681 -6.178 1.00 12.32 C ATOM 2765 OH TYR B 79 7.567 -10.207 -6.949 1.00 53.22 O ATOM 0 H TYR B 79 1.690 -7.416 -2.081 1.00 61.21 H new ATOM 0 HA TYR B 79 3.621 -9.472 -2.196 1.00 31.01 H new ATOM 0 HB2 TYR B 79 2.447 -8.452 -4.136 1.00 53.35 H new ATOM 0 HB3 TYR B 79 3.367 -6.980 -3.896 1.00 53.35 H new ATOM 0 HD1 TYR B 79 3.825 -10.639 -4.478 1.00 55.52 H new ATOM 0 HD2 TYR B 79 5.462 -6.738 -4.965 1.00 72.45 H new ATOM 0 HE1 TYR B 79 5.627 -11.575 -5.850 1.00 62.31 H new ATOM 0 HE2 TYR B 79 7.263 -7.672 -6.344 1.00 3.02 H new ATOM 0 HH TYR B 79 7.243 -11.005 -7.416 1.00 53.22 H new ATOM 2775 N TYR B 80 4.689 -6.581 -1.166 1.00 4.11 N ATOM 2776 CA TYR B 80 5.803 -5.918 -0.508 1.00 35.33 C ATOM 2777 C TYR B 80 6.281 -6.772 0.681 1.00 20.15 C ATOM 2778 O TYR B 80 7.474 -7.043 0.837 1.00 52.42 O ATOM 2779 CB TYR B 80 5.352 -4.529 -0.033 1.00 0.40 C ATOM 2780 CG TYR B 80 6.422 -3.681 0.625 1.00 62.25 C ATOM 2781 CD1 TYR B 80 7.258 -2.878 -0.136 1.00 23.14 C ATOM 2782 CD2 TYR B 80 6.577 -3.668 2.002 1.00 42.53 C ATOM 2783 CE1 TYR B 80 8.219 -2.087 0.456 1.00 44.35 C ATOM 2784 CE2 TYR B 80 7.536 -2.883 2.600 1.00 65.22 C ATOM 2785 CZ TYR B 80 8.356 -2.092 1.824 1.00 30.04 C ATOM 2786 OH TYR B 80 9.313 -1.299 2.425 1.00 51.15 O ATOM 0 H TYR B 80 3.829 -6.033 -1.188 1.00 4.11 H new ATOM 0 HA TYR B 80 6.633 -5.800 -1.204 1.00 35.33 H new ATOM 0 HB2 TYR B 80 4.957 -3.983 -0.890 1.00 0.40 H new ATOM 0 HB3 TYR B 80 4.530 -4.655 0.671 1.00 0.40 H new ATOM 0 HD1 TYR B 80 7.154 -2.872 -1.211 1.00 23.14 H new ATOM 0 HD2 TYR B 80 5.935 -4.283 2.615 1.00 42.53 H new ATOM 0 HE1 TYR B 80 8.861 -1.466 -0.152 1.00 44.35 H new ATOM 0 HE2 TYR B 80 7.646 -2.887 3.674 1.00 65.22 H new ATOM 0 HH TYR B 80 9.241 -0.384 2.083 1.00 51.15 H new ATOM 2796 N LEU B 81 5.336 -7.203 1.490 1.00 50.33 N ATOM 2797 CA LEU B 81 5.619 -8.029 2.651 1.00 60.12 C ATOM 2798 C LEU B 81 5.993 -9.465 2.275 1.00 73.12 C ATOM 2799 O LEU B 81 6.834 -10.090 2.938 1.00 31.22 O ATOM 2800 CB LEU B 81 4.444 -8.001 3.622 1.00 63.15 C ATOM 2801 CG LEU B 81 4.136 -6.631 4.227 1.00 15.00 C ATOM 2802 CD1 LEU B 81 2.908 -6.697 5.111 1.00 53.21 C ATOM 2803 CD2 LEU B 81 5.335 -6.128 5.015 1.00 55.50 C ATOM 0 H LEU B 81 4.346 -6.991 1.363 1.00 50.33 H new ATOM 0 HA LEU B 81 6.493 -7.604 3.145 1.00 60.12 H new ATOM 0 HB2 LEU B 81 3.555 -8.360 3.103 1.00 63.15 H new ATOM 0 HB3 LEU B 81 4.645 -8.702 4.432 1.00 63.15 H new ATOM 0 HG LEU B 81 3.930 -5.932 3.416 1.00 15.00 H new ATOM 0 HD11 LEU B 81 2.708 -5.711 5.530 1.00 53.21 H new ATOM 0 HD12 LEU B 81 2.051 -7.020 4.520 1.00 53.21 H new ATOM 0 HD13 LEU B 81 3.080 -7.407 5.920 1.00 53.21 H new ATOM 0 HD21 LEU B 81 5.106 -5.152 5.442 1.00 55.50 H new ATOM 0 HD22 LEU B 81 5.564 -6.830 5.817 1.00 55.50 H new ATOM 0 HD23 LEU B 81 6.196 -6.041 4.352 1.00 55.50 H new ATOM 2815 N ALA B 82 5.392 -9.966 1.203 1.00 44.44 N ATOM 2816 CA ALA B 82 5.596 -11.336 0.724 1.00 40.42 C ATOM 2817 C ALA B 82 7.066 -11.644 0.466 1.00 10.21 C ATOM 2818 O ALA B 82 7.536 -12.755 0.721 1.00 15.22 O ATOM 2819 CB ALA B 82 4.777 -11.582 -0.536 1.00 31.33 C ATOM 0 H ALA B 82 4.740 -9.429 0.631 1.00 44.44 H new ATOM 0 HA ALA B 82 5.258 -12.008 1.512 1.00 40.42 H new ATOM 0 HB1 ALA B 82 4.938 -12.603 -0.881 1.00 31.33 H new ATOM 0 HB2 ALA B 82 3.719 -11.435 -0.317 1.00 31.33 H new ATOM 0 HB3 ALA B 82 5.087 -10.883 -1.313 1.00 31.33 H new ATOM 2825 N ASN B 83 7.800 -10.650 0.014 1.00 23.32 N ATOM 2826 CA ASN B 83 9.213 -10.828 -0.310 1.00 61.45 C ATOM 2827 C ASN B 83 10.105 -10.948 0.922 1.00 24.15 C ATOM 2828 O ASN B 83 11.318 -11.075 0.802 1.00 11.11 O ATOM 2829 CB ASN B 83 9.732 -9.753 -1.265 1.00 51.41 C ATOM 2830 CG ASN B 83 9.183 -9.888 -2.675 1.00 42.44 C ATOM 2831 OD1 ASN B 83 9.755 -10.579 -3.506 1.00 44.11 O ATOM 2832 ND2 ASN B 83 8.087 -9.250 -2.960 1.00 4.10 N ATOM 0 H ASN B 83 7.448 -9.705 -0.140 1.00 23.32 H new ATOM 0 HA ASN B 83 9.269 -11.785 -0.829 1.00 61.45 H new ATOM 0 HB2 ASN B 83 9.470 -8.771 -0.873 1.00 51.41 H new ATOM 0 HB3 ASN B 83 10.820 -9.802 -1.300 1.00 51.41 H new ATOM 0 HD21 ASN B 83 7.685 -9.319 -3.895 1.00 4.10 H new ATOM 0 HD22 ASN B 83 7.629 -8.680 -2.249 1.00 4.10 H new ATOM 2839 N HIS B 84 9.512 -10.917 2.106 1.00 3.14 N ATOM 2840 CA HIS B 84 10.269 -11.137 3.343 1.00 4.25 C ATOM 2841 C HIS B 84 10.143 -12.583 3.783 1.00 74.51 C ATOM 2842 O HIS B 84 10.433 -12.921 4.925 1.00 52.43 O ATOM 2843 CB HIS B 84 9.832 -10.193 4.486 1.00 31.24 C ATOM 2844 CG HIS B 84 10.167 -8.751 4.260 1.00 25.20 C ATOM 2845 ND1 HIS B 84 11.445 -8.256 4.369 1.00 0.01 N ATOM 2846 CD2 HIS B 84 9.392 -7.704 3.904 1.00 63.05 C ATOM 2847 CE1 HIS B 84 11.449 -6.976 4.082 1.00 53.23 C ATOM 2848 NE2 HIS B 84 10.213 -6.609 3.790 1.00 62.40 N ATOM 0 H HIS B 84 8.516 -10.743 2.243 1.00 3.14 H new ATOM 0 HA HIS B 84 11.312 -10.909 3.123 1.00 4.25 H new ATOM 0 HB2 HIS B 84 8.755 -10.286 4.625 1.00 31.24 H new ATOM 0 HB3 HIS B 84 10.303 -10.522 5.412 1.00 31.24 H new ATOM 0 HD1 HIS B 84 12.266 -8.801 4.633 1.00 0.01 H new ATOM 0 HD2 HIS B 84 8.325 -7.724 3.739 1.00 63.05 H new ATOM 0 HE1 HIS B 84 12.315 -6.331 4.084 1.00 53.23 H new ATOM 2857 N GLY B 85 9.717 -13.437 2.866 1.00 45.25 N ATOM 2858 CA GLY B 85 9.564 -14.844 3.173 1.00 22.44 C ATOM 2859 C GLY B 85 8.220 -15.126 3.772 1.00 21.40 C ATOM 2860 O GLY B 85 7.975 -16.201 4.316 1.00 22.21 O ATOM 0 H GLY B 85 9.473 -13.180 1.910 1.00 45.25 H new ATOM 0 HA2 GLY B 85 9.691 -15.433 2.264 1.00 22.44 H new ATOM 0 HA3 GLY B 85 10.346 -15.155 3.866 1.00 22.44 H new ATOM 2864 N ILE B 86 7.351 -14.159 3.669 1.00 72.42 N ATOM 2865 CA ILE B 86 6.031 -14.244 4.219 1.00 23.13 C ATOM 2866 C ILE B 86 5.074 -14.582 3.114 1.00 32.13 C ATOM 2867 O ILE B 86 5.141 -14.001 2.033 1.00 64.31 O ATOM 2868 CB ILE B 86 5.601 -12.890 4.845 1.00 65.42 C ATOM 2869 CG1 ILE B 86 6.596 -12.454 5.923 1.00 53.21 C ATOM 2870 CG2 ILE B 86 4.186 -12.979 5.425 1.00 75.10 C ATOM 2871 CD1 ILE B 86 6.260 -11.121 6.546 1.00 70.55 C ATOM 0 H ILE B 86 7.545 -13.278 3.193 1.00 72.42 H new ATOM 0 HA ILE B 86 6.024 -15.009 4.996 1.00 23.13 H new ATOM 0 HB ILE B 86 5.597 -12.140 4.055 1.00 65.42 H new ATOM 0 HG12 ILE B 86 6.630 -13.213 6.704 1.00 53.21 H new ATOM 0 HG13 ILE B 86 7.593 -12.401 5.486 1.00 53.21 H new ATOM 0 HG21 ILE B 86 3.909 -12.018 5.857 1.00 75.10 H new ATOM 0 HG22 ILE B 86 3.483 -13.236 4.632 1.00 75.10 H new ATOM 0 HG23 ILE B 86 4.157 -13.746 6.199 1.00 75.10 H new ATOM 0 HD11 ILE B 86 7.006 -10.874 7.301 1.00 70.55 H new ATOM 0 HD12 ILE B 86 6.255 -10.350 5.775 1.00 70.55 H new ATOM 0 HD13 ILE B 86 5.276 -11.175 7.012 1.00 70.55 H new ATOM 2883 N ASP B 87 4.209 -15.504 3.345 1.00 25.15 N ATOM 2884 CA ASP B 87 3.239 -15.828 2.339 1.00 3.25 C ATOM 2885 C ASP B 87 1.914 -15.234 2.651 1.00 35.15 C ATOM 2886 O ASP B 87 1.293 -15.554 3.669 1.00 74.53 O ATOM 2887 CB ASP B 87 3.104 -17.336 2.086 1.00 35.41 C ATOM 2888 CG ASP B 87 4.248 -17.914 1.291 1.00 4.00 C ATOM 2889 OD1 ASP B 87 4.111 -18.043 0.054 1.00 75.12 O ATOM 2890 OD2 ASP B 87 5.296 -18.247 1.873 1.00 4.00 O ATOM 0 H ASP B 87 4.145 -16.046 4.207 1.00 25.15 H new ATOM 0 HA ASP B 87 3.615 -15.387 1.416 1.00 3.25 H new ATOM 0 HB2 ASP B 87 3.038 -17.853 3.043 1.00 35.41 H new ATOM 0 HB3 ASP B 87 2.170 -17.526 1.556 1.00 35.41 H new ATOM 2895 N ILE B 88 1.480 -14.376 1.779 1.00 61.04 N ATOM 2896 CA ILE B 88 0.179 -13.786 1.849 1.00 1.24 C ATOM 2897 C ILE B 88 -0.441 -14.106 0.518 1.00 45.45 C ATOM 2898 O ILE B 88 0.255 -14.035 -0.502 1.00 1.44 O ATOM 2899 CB ILE B 88 0.224 -12.241 1.981 1.00 3.15 C ATOM 2900 CG1 ILE B 88 1.227 -11.787 3.031 1.00 41.01 C ATOM 2901 CG2 ILE B 88 -1.162 -11.739 2.372 1.00 24.35 C ATOM 2902 CD1 ILE B 88 1.402 -10.281 3.057 1.00 52.32 C ATOM 0 H ILE B 88 2.033 -14.060 0.982 1.00 61.04 H new ATOM 0 HA ILE B 88 -0.359 -14.165 2.718 1.00 1.24 H new ATOM 0 HB ILE B 88 0.535 -11.830 1.020 1.00 3.15 H new ATOM 0 HG12 ILE B 88 0.899 -12.128 4.013 1.00 41.01 H new ATOM 0 HG13 ILE B 88 2.190 -12.258 2.835 1.00 41.01 H new ATOM 0 HG21 ILE B 88 -1.142 -10.653 2.468 1.00 24.35 H new ATOM 0 HG22 ILE B 88 -1.882 -12.022 1.604 1.00 24.35 H new ATOM 0 HG23 ILE B 88 -1.454 -12.182 3.324 1.00 24.35 H new ATOM 0 HD11 ILE B 88 2.128 -10.012 3.824 1.00 52.32 H new ATOM 0 HD12 ILE B 88 1.757 -9.939 2.085 1.00 52.32 H new ATOM 0 HD13 ILE B 88 0.446 -9.807 3.281 1.00 52.32 H new