USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 808 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 14 LYS NZ :NH3+ -171:sc= 1.69 (180deg=0.274) USER MOD Set 1.2: B 81 ASN : amide:sc= 1.58 K(o=4.5,f=-7.5) USER MOD Set 1.3: B 83 SER OG : rot 99:sc= 0.348 USER MOD Set 1.4: B 84 THR OG1 : rot 57:sc= 0.859 USER MOD Set 2.1: B 62 LYS NZ :NH3+ -174:sc= 0.762 (180deg=0) USER MOD Set 2.2: B 64 GLN : amide:sc= -3.15! C(o=-2.4!,f=-6!) USER MOD Set 3.1: B 51 LYS NZ :NH3+ 164:sc= 0.458 (180deg=0.0372) USER MOD Set 3.2: B 52 CYS SG : rot 17:sc= -1.14! USER MOD Set 4.1: B 45 HIS :FLIP no HE2:sc= -0.454 F(o=-3.6!,f=0.82) USER MOD Set 4.2: B 75 THR OG1 : rot 152:sc= 1.27 USER MOD Set 5.1: B 17 GLN : amide:sc= -0.085 K(o=-0.042,f=-2.2!) USER MOD Set 5.2: B 20 GLN :FLIP amide:sc= 0.0433 F(o=-3.9!,f=-0.042) USER MOD Set 6.1: B 13 LYS NZ :NH3+ -171:sc= 0.954 (180deg=0) USER MOD Set 6.2: B 25 TYR OH : rot 180:sc= 0.838 USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 MET CE :methyl 145:sc= -0.54 (180deg=-3.19!) USER MOD Single : B 44 SER OG : rot 180:sc= -0.44 USER MOD Single : B 46 MET CE :methyl -158:sc= -0.238 (180deg=-1.02) USER MOD Single : B 47 TYR OH : rot 41:sc= 0.24 USER MOD Single : B 53 GLN : amide:sc= -2.72! C(o=-2.7!,f=-7.1!) USER MOD Single : B 54 LYS NZ :NH3+ -176:sc= 1.09 (180deg=1.01) USER MOD Single : B 56 SER OG : rot 119:sc= 0.37 USER MOD Single : B 60 LYS NZ :NH3+ 156:sc= 0.566 (180deg=0.291) USER MOD Single : B 66 GLN : amide:sc= -1.43 K(o=-1.4,f=-2!) USER MOD Single : B 70 HIS : no HE2:sc= -5.49! C(o=-5.5!,f=-7.5!) USER MOD Single : B 74 THR OG1 : rot 36:sc= 0.0115 USER MOD Single : B 76 ASN : amide:sc= -0.504! X(o=-0.5!,f=-0.17) USER MOD Single : B 78 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-4.5!) USER MOD Single : B 80 SER OG : rot 1:sc= 1.94 USER MOD Single : B 87 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.11) USER MOD Single : B 93 LYS NZ :NH3+ -171:sc= 0.466! (180deg=0.381!) USER MOD Single : B 97 GLN :FLIP amide:sc= -2.57 F(o=-3.7!,f=-2.6) USER MOD Single : B 98 GLN : amide:sc= 0.0723 X(o=0.072,f=-0.36) USER MOD Single : B 102 LYS NZ :NH3+ 159:sc= 1.27 (180deg=0.443) USER MOD ----------------------------------------------------------------- ATOM 339 N ASP A 132 4.650 4.778 13.725 1.00 0.00 N ATOM 340 CA ASP A 132 3.443 5.584 13.707 1.00 0.00 C ATOM 341 C ASP A 132 2.609 5.288 12.485 1.00 0.00 C ATOM 342 O ASP A 132 2.466 6.123 11.590 1.00 0.00 O ATOM 343 CB ASP A 132 3.750 7.070 13.743 1.00 0.00 C ATOM 344 CG ASP A 132 5.221 7.433 13.554 1.00 0.00 C ATOM 345 OD1 ASP A 132 5.908 6.815 12.711 1.00 0.00 O ATOM 346 OD2 ASP A 132 5.676 8.396 14.205 1.00 0.00 O ATOM 0 HA ASP A 132 2.885 5.320 14.605 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.167 7.564 12.966 1.00 0.00 H new ATOM 0 HB3 ASP A 132 3.413 7.472 14.698 1.00 0.00 H new ATOM 351 N TRP A 133 2.084 4.090 12.446 1.00 0.00 N ATOM 352 CA TRP A 133 1.247 3.652 11.351 1.00 0.00 C ATOM 353 C TRP A 133 0.103 2.819 11.885 1.00 0.00 C ATOM 354 O TRP A 133 0.301 2.010 12.792 1.00 0.00 O ATOM 355 CB TRP A 133 2.020 2.761 10.372 1.00 0.00 C ATOM 356 CG TRP A 133 3.415 3.178 10.020 1.00 0.00 C ATOM 357 CD1 TRP A 133 4.518 3.111 10.810 1.00 0.00 C ATOM 358 CD2 TRP A 133 3.867 3.660 8.757 1.00 0.00 C ATOM 359 NE1 TRP A 133 5.618 3.557 10.124 1.00 0.00 N ATOM 360 CE2 TRP A 133 5.242 3.902 8.866 1.00 0.00 C ATOM 361 CE3 TRP A 133 3.241 3.927 7.551 1.00 0.00 C ATOM 362 CZ2 TRP A 133 5.999 4.391 7.814 1.00 0.00 C ATOM 363 CZ3 TRP A 133 3.996 4.411 6.509 1.00 0.00 C ATOM 364 CH2 TRP A 133 5.362 4.642 6.644 1.00 0.00 C ATOM 0 H TRP A 133 2.223 3.387 13.172 1.00 0.00 H new ATOM 0 HA TRP A 133 0.894 4.548 10.841 1.00 0.00 H new ATOM 0 HB2 TRP A 133 2.064 1.756 10.793 1.00 0.00 H new ATOM 0 HB3 TRP A 133 1.444 2.695 9.449 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.527 2.758 11.831 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.565 3.619 10.498 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.181 3.758 7.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.059 4.566 7.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 3.518 4.617 5.563 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.922 5.027 5.805 1.00 0.00 H new ATOM 375 N GLU A 134 -1.078 3.007 11.323 1.00 0.00 N ATOM 376 CA GLU A 134 -2.210 2.191 11.691 1.00 0.00 C ATOM 377 C GLU A 134 -1.932 0.877 11.008 1.00 0.00 C ATOM 378 O GLU A 134 -2.105 0.738 9.796 1.00 0.00 O ATOM 379 CB GLU A 134 -3.531 2.800 11.210 1.00 0.00 C ATOM 380 CG GLU A 134 -3.725 4.250 11.623 1.00 0.00 C ATOM 381 CD GLU A 134 -3.486 4.474 13.103 1.00 0.00 C ATOM 382 OE1 GLU A 134 -4.415 4.224 13.897 1.00 0.00 O ATOM 383 OE2 GLU A 134 -2.370 4.900 13.465 1.00 0.00 O ATOM 0 H GLU A 134 -1.273 3.715 10.615 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.323 2.095 12.771 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.577 2.732 10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.357 2.207 11.601 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.045 4.881 11.050 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -4.738 4.563 11.371 1.00 0.00 H new ATOM 390 N GLU A 135 -1.430 -0.061 11.776 1.00 0.00 N ATOM 391 CA GLU A 135 -1.004 -1.323 11.234 1.00 0.00 C ATOM 392 C GLU A 135 -2.137 -2.170 10.682 1.00 0.00 C ATOM 393 O GLU A 135 -2.995 -2.673 11.400 1.00 0.00 O ATOM 394 CB GLU A 135 -0.161 -2.062 12.266 1.00 0.00 C ATOM 395 CG GLU A 135 -0.755 -2.124 13.659 1.00 0.00 C ATOM 396 CD GLU A 135 0.317 -2.369 14.700 1.00 0.00 C ATOM 397 OE1 GLU A 135 1.360 -1.678 14.645 1.00 0.00 O ATOM 398 OE2 GLU A 135 0.141 -3.262 15.546 1.00 0.00 O ATOM 0 H GLU A 135 -1.307 0.030 12.784 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.386 -1.114 10.361 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.006 -3.080 11.914 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.815 -1.581 12.326 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -1.272 -1.190 13.879 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -1.499 -2.919 13.705 1.00 0.00 H new ATOM 405 N VAL A 136 -2.099 -2.284 9.363 1.00 0.00 N ATOM 406 CA VAL A 136 -3.046 -3.059 8.585 1.00 0.00 C ATOM 407 C VAL A 136 -2.606 -4.510 8.492 1.00 0.00 C ATOM 408 O VAL A 136 -1.425 -4.820 8.300 1.00 0.00 O ATOM 409 CB VAL A 136 -3.186 -2.473 7.185 1.00 0.00 C ATOM 410 CG1 VAL A 136 -4.144 -3.250 6.341 1.00 0.00 C ATOM 411 CG2 VAL A 136 -3.586 -1.035 7.287 1.00 0.00 C ATOM 0 H VAL A 136 -1.389 -1.827 8.792 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.012 -3.018 9.088 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.220 -2.540 6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.211 -2.795 5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.793 -4.277 6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.128 -3.245 6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.687 -0.614 6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.539 -0.959 7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.824 -0.484 7.838 1.00 0.00 H new ATOM 421 N GLU A 137 -3.575 -5.375 8.590 1.00 0.00 N ATOM 422 CA GLU A 137 -3.358 -6.820 8.599 1.00 0.00 C ATOM 423 C GLU A 137 -3.974 -7.514 7.396 1.00 0.00 C ATOM 424 O GLU A 137 -4.861 -6.967 6.739 1.00 0.00 O ATOM 425 CB GLU A 137 -3.930 -7.414 9.880 1.00 0.00 C ATOM 426 CG GLU A 137 -4.421 -6.353 10.838 1.00 0.00 C ATOM 427 CD GLU A 137 -5.852 -5.923 10.552 1.00 0.00 C ATOM 428 OE1 GLU A 137 -6.070 -5.211 9.540 1.00 0.00 O ATOM 429 OE2 GLU A 137 -6.753 -6.298 11.328 1.00 0.00 O ATOM 0 H GLU A 137 -4.556 -5.107 8.668 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.282 -6.985 8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -4.753 -8.084 9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -3.166 -8.017 10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -4.356 -6.732 11.858 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.766 -5.484 10.779 1.00 0.00 H new ATOM 436 N GLU A 138 -3.418 -8.682 7.068 1.00 0.00 N ATOM 437 CA GLU A 138 -3.905 -9.501 5.964 1.00 0.00 C ATOM 438 C GLU A 138 -5.425 -9.661 6.064 1.00 0.00 C ATOM 439 O GLU A 138 -5.940 -10.369 6.929 1.00 0.00 O ATOM 440 CB GLU A 138 -3.211 -10.873 5.973 1.00 0.00 C ATOM 441 CG GLU A 138 -3.143 -11.536 7.348 1.00 0.00 C ATOM 442 CD GLU A 138 -1.847 -11.248 8.086 1.00 0.00 C ATOM 443 OE1 GLU A 138 -1.703 -10.141 8.640 1.00 0.00 O ATOM 444 OE2 GLU A 138 -0.961 -12.132 8.108 1.00 0.00 O ATOM 0 H GLU A 138 -2.620 -9.083 7.561 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.669 -9.006 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -3.738 -11.538 5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.198 -10.757 5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -3.982 -11.192 7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -3.255 -12.614 7.231 1.00 0.00 H new ATOM 451 N LEU A 139 -6.130 -9.008 5.159 1.00 0.00 N ATOM 452 CA LEU A 139 -7.580 -9.009 5.163 1.00 0.00 C ATOM 453 C LEU A 139 -8.161 -9.973 4.129 1.00 0.00 C ATOM 454 O LEU A 139 -7.646 -10.116 3.024 1.00 0.00 O ATOM 455 CB LEU A 139 -8.066 -7.579 4.907 1.00 0.00 C ATOM 456 CG LEU A 139 -9.486 -7.434 4.366 1.00 0.00 C ATOM 457 CD1 LEU A 139 -10.511 -7.820 5.425 1.00 0.00 C ATOM 458 CD2 LEU A 139 -9.735 -6.013 3.891 1.00 0.00 C ATOM 0 H LEU A 139 -5.715 -8.464 4.403 1.00 0.00 H new ATOM 0 HA LEU A 139 -7.928 -9.358 6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -7.997 -7.022 5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -7.382 -7.106 4.203 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.594 -8.110 3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -11.516 -7.709 5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.353 -8.856 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.399 -7.171 6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -10.753 -5.930 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.603 -5.322 4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -9.029 -5.765 3.099 1.00 0.00 H new ATOM 815 N VAL B 8 -0.374 -4.731 -13.490 1.00 0.00 N ATOM 816 CA VAL B 8 -0.333 -3.567 -12.625 1.00 0.00 C ATOM 817 C VAL B 8 -1.759 -3.097 -12.358 1.00 0.00 C ATOM 818 O VAL B 8 -2.317 -2.291 -13.099 1.00 0.00 O ATOM 819 CB VAL B 8 0.493 -2.418 -13.237 1.00 0.00 C ATOM 820 CG1 VAL B 8 0.786 -1.357 -12.187 1.00 0.00 C ATOM 821 CG2 VAL B 8 1.789 -2.945 -13.840 1.00 0.00 C ATOM 0 HA VAL B 8 0.154 -3.853 -11.693 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.093 -1.963 -14.036 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.370 -0.553 -12.635 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.152 -0.955 -11.805 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.351 -1.802 -11.368 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.355 -2.117 -14.266 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.382 -3.428 -13.063 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.559 -3.667 -14.623 1.00 0.00 H new ATOM 831 N LEU B 9 -2.330 -3.642 -11.301 1.00 0.00 N ATOM 832 CA LEU B 9 -3.691 -3.350 -10.892 1.00 0.00 C ATOM 833 C LEU B 9 -3.826 -1.918 -10.411 1.00 0.00 C ATOM 834 O LEU B 9 -4.772 -1.216 -10.764 1.00 0.00 O ATOM 835 CB LEU B 9 -4.085 -4.313 -9.772 1.00 0.00 C ATOM 836 CG LEU B 9 -3.819 -5.793 -10.073 1.00 0.00 C ATOM 837 CD1 LEU B 9 -3.791 -6.609 -8.794 1.00 0.00 C ATOM 838 CD2 LEU B 9 -4.861 -6.347 -11.028 1.00 0.00 C ATOM 0 H LEU B 9 -1.855 -4.310 -10.693 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.352 -3.476 -11.750 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.543 -4.038 -8.868 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.146 -4.185 -9.559 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.841 -5.866 -10.550 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.601 -7.655 -9.034 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.001 -6.237 -8.142 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -4.751 -6.522 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.651 -7.398 -11.226 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.851 -6.253 -10.581 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.831 -5.788 -11.963 1.00 0.00 H new ATOM 850 N LEU B 10 -2.879 -1.488 -9.602 1.00 0.00 N ATOM 851 CA LEU B 10 -2.905 -0.134 -9.076 1.00 0.00 C ATOM 852 C LEU B 10 -1.614 0.612 -9.371 1.00 0.00 C ATOM 853 O LEU B 10 -0.528 0.183 -8.978 1.00 0.00 O ATOM 854 CB LEU B 10 -3.182 -0.131 -7.578 1.00 0.00 C ATOM 855 CG LEU B 10 -3.763 1.180 -7.052 1.00 0.00 C ATOM 856 CD1 LEU B 10 -5.136 1.436 -7.652 1.00 0.00 C ATOM 857 CD2 LEU B 10 -3.841 1.165 -5.535 1.00 0.00 C ATOM 0 H LEU B 10 -2.086 -2.051 -9.295 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.718 0.387 -9.582 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.874 -0.941 -7.346 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.254 -0.343 -7.048 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.098 1.990 -7.352 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.533 2.374 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -5.053 1.497 -8.737 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.808 0.620 -7.385 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.258 2.109 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.480 0.343 -5.212 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.842 1.033 -5.121 1.00 0.00 H new ATOM 869 N ILE B 11 -1.745 1.722 -10.083 1.00 0.00 N ATOM 870 CA ILE B 11 -0.605 2.555 -10.420 1.00 0.00 C ATOM 871 C ILE B 11 -0.573 3.766 -9.503 1.00 0.00 C ATOM 872 O ILE B 11 -1.401 4.668 -9.615 1.00 0.00 O ATOM 873 CB ILE B 11 -0.642 3.021 -11.895 1.00 0.00 C ATOM 874 CG1 ILE B 11 -0.508 1.811 -12.828 1.00 0.00 C ATOM 875 CG2 ILE B 11 0.461 4.041 -12.165 1.00 0.00 C ATOM 876 CD1 ILE B 11 -0.424 2.168 -14.295 1.00 0.00 C ATOM 0 H ILE B 11 -2.637 2.066 -10.439 1.00 0.00 H new ATOM 0 HA ILE B 11 0.296 1.956 -10.286 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.599 3.505 -12.088 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.384 1.249 -12.550 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.362 1.151 -12.674 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.418 4.356 -13.208 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.322 4.907 -11.518 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.432 3.589 -11.962 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.331 1.257 -14.886 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.326 2.703 -14.592 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.446 2.802 -14.466 1.00 0.00 H new ATOM 888 N VAL B 12 0.378 3.762 -8.591 1.00 0.00 N ATOM 889 CA VAL B 12 0.537 4.842 -7.637 1.00 0.00 C ATOM 890 C VAL B 12 1.663 5.759 -8.085 1.00 0.00 C ATOM 891 O VAL B 12 2.712 5.294 -8.542 1.00 0.00 O ATOM 892 CB VAL B 12 0.840 4.288 -6.231 1.00 0.00 C ATOM 893 CG1 VAL B 12 0.636 5.356 -5.173 1.00 0.00 C ATOM 894 CG2 VAL B 12 -0.024 3.069 -5.943 1.00 0.00 C ATOM 0 H VAL B 12 1.062 3.012 -8.490 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.395 5.406 -7.591 1.00 0.00 H new ATOM 0 HB VAL B 12 1.886 3.983 -6.201 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.856 4.941 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.303 6.195 -5.370 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.398 5.700 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.202 2.690 -4.946 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.076 3.348 -5.995 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.182 2.294 -6.681 1.00 0.00 H new ATOM 904 N LYS B 13 1.452 7.054 -7.964 1.00 0.00 N ATOM 905 CA LYS B 13 2.453 8.017 -8.384 1.00 0.00 C ATOM 906 C LYS B 13 3.217 8.589 -7.197 1.00 0.00 C ATOM 907 O LYS B 13 2.940 8.240 -6.056 1.00 0.00 O ATOM 908 CB LYS B 13 1.805 9.137 -9.200 1.00 0.00 C ATOM 909 CG LYS B 13 1.507 8.742 -10.641 1.00 0.00 C ATOM 910 CD LYS B 13 2.782 8.605 -11.464 1.00 0.00 C ATOM 911 CE LYS B 13 3.263 7.162 -11.535 1.00 0.00 C ATOM 912 NZ LYS B 13 4.611 7.057 -12.158 1.00 0.00 N ATOM 0 H LYS B 13 0.601 7.464 -7.580 1.00 0.00 H new ATOM 0 HA LYS B 13 3.173 7.494 -9.014 1.00 0.00 H new ATOM 0 HB2 LYS B 13 0.877 9.440 -8.715 1.00 0.00 H new ATOM 0 HB3 LYS B 13 2.464 10.006 -9.198 1.00 0.00 H new ATOM 0 HG2 LYS B 13 0.962 7.798 -10.654 1.00 0.00 H new ATOM 0 HG3 LYS B 13 0.859 9.490 -11.097 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.604 8.978 -12.473 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.564 9.227 -11.028 1.00 0.00 H new ATOM 0 HE2 LYS B 13 3.293 6.739 -10.531 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.551 6.569 -12.109 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 4.838 6.056 -12.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 4.617 7.571 -13.062 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.321 7.470 -11.520 1.00 0.00 H new ATOM 926 N LYS B 14 4.122 9.524 -7.510 1.00 0.00 N ATOM 927 CA LYS B 14 5.012 10.200 -6.554 1.00 0.00 C ATOM 928 C LYS B 14 5.131 9.502 -5.192 1.00 0.00 C ATOM 929 O LYS B 14 4.697 10.033 -4.167 1.00 0.00 O ATOM 930 CB LYS B 14 4.509 11.624 -6.350 1.00 0.00 C ATOM 931 CG LYS B 14 4.542 12.488 -7.599 1.00 0.00 C ATOM 932 CD LYS B 14 3.770 13.780 -7.385 1.00 0.00 C ATOM 933 CE LYS B 14 3.013 14.202 -8.636 1.00 0.00 C ATOM 934 NZ LYS B 14 1.771 14.954 -8.305 1.00 0.00 N ATOM 0 H LYS B 14 4.261 9.843 -8.469 1.00 0.00 H new ATOM 0 HA LYS B 14 6.012 10.177 -6.987 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.485 11.585 -5.978 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.111 12.101 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.575 12.716 -7.861 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.114 11.939 -8.438 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.067 13.651 -6.562 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.460 14.572 -7.094 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.658 14.822 -9.259 1.00 0.00 H new ATOM 0 HE3 LYS B 14 2.758 13.319 -9.221 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 1.208 15.091 -9.168 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.215 14.416 -7.610 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.022 15.881 -7.905 1.00 0.00 H new ATOM 948 N VAL B 15 5.743 8.323 -5.189 1.00 0.00 N ATOM 949 CA VAL B 15 5.951 7.559 -3.966 1.00 0.00 C ATOM 950 C VAL B 15 7.427 7.585 -3.606 1.00 0.00 C ATOM 951 O VAL B 15 8.268 7.137 -4.378 1.00 0.00 O ATOM 952 CB VAL B 15 5.502 6.085 -4.107 1.00 0.00 C ATOM 953 CG1 VAL B 15 5.820 5.298 -2.844 1.00 0.00 C ATOM 954 CG2 VAL B 15 4.020 5.997 -4.417 1.00 0.00 C ATOM 0 H VAL B 15 6.107 7.873 -6.029 1.00 0.00 H new ATOM 0 HA VAL B 15 5.346 8.021 -3.186 1.00 0.00 H new ATOM 0 HB VAL B 15 6.056 5.648 -4.938 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.495 4.265 -2.968 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.894 5.321 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.299 5.744 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.730 4.951 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.451 6.460 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.812 6.517 -5.352 1.00 0.00 H new ATOM 964 N ARG B 16 7.744 8.109 -2.441 1.00 0.00 N ATOM 965 CA ARG B 16 9.125 8.192 -2.015 1.00 0.00 C ATOM 966 C ARG B 16 9.380 7.277 -0.831 1.00 0.00 C ATOM 967 O ARG B 16 8.671 7.330 0.161 1.00 0.00 O ATOM 968 CB ARG B 16 9.483 9.636 -1.663 1.00 0.00 C ATOM 969 CG ARG B 16 9.401 10.573 -2.855 1.00 0.00 C ATOM 970 CD ARG B 16 9.682 12.012 -2.465 1.00 0.00 C ATOM 971 NE ARG B 16 8.824 12.946 -3.194 1.00 0.00 N ATOM 972 CZ ARG B 16 9.267 13.988 -3.894 1.00 0.00 C ATOM 973 NH1 ARG B 16 10.573 14.220 -3.995 1.00 0.00 N ATOM 974 NH2 ARG B 16 8.401 14.794 -4.500 1.00 0.00 N ATOM 0 H ARG B 16 7.068 8.482 -1.775 1.00 0.00 H new ATOM 0 HA ARG B 16 9.760 7.865 -2.839 1.00 0.00 H new ATOM 0 HB2 ARG B 16 8.811 9.991 -0.881 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.493 9.665 -1.253 1.00 0.00 H new ATOM 0 HG2 ARG B 16 10.116 10.257 -3.615 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.409 10.505 -3.302 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.527 12.136 -1.393 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.728 12.246 -2.665 1.00 0.00 H new ATOM 0 HE ARG B 16 7.817 12.788 -3.164 1.00 0.00 H new ATOM 0 HH11 ARG B 16 11.238 13.599 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG B 16 10.909 15.019 -4.532 1.00 0.00 H new ATOM 0 HH21 ARG B 16 7.400 14.613 -4.428 1.00 0.00 H new ATOM 0 HH22 ARG B 16 8.738 15.593 -5.037 1.00 0.00 H new ATOM 988 N GLN B 17 10.373 6.419 -0.942 1.00 0.00 N ATOM 989 CA GLN B 17 10.697 5.527 0.152 1.00 0.00 C ATOM 990 C GLN B 17 11.964 6.017 0.841 1.00 0.00 C ATOM 991 O GLN B 17 13.054 5.964 0.277 1.00 0.00 O ATOM 992 CB GLN B 17 10.814 4.067 -0.324 1.00 0.00 C ATOM 993 CG GLN B 17 12.017 3.766 -1.204 1.00 0.00 C ATOM 994 CD GLN B 17 13.059 2.932 -0.484 1.00 0.00 C ATOM 995 OE1 GLN B 17 12.735 2.135 0.393 1.00 0.00 O ATOM 996 NE2 GLN B 17 14.318 3.113 -0.845 1.00 0.00 N ATOM 0 H GLN B 17 10.963 6.320 -1.768 1.00 0.00 H new ATOM 0 HA GLN B 17 9.885 5.539 0.879 1.00 0.00 H new ATOM 0 HB2 GLN B 17 10.853 3.419 0.551 1.00 0.00 H new ATOM 0 HB3 GLN B 17 9.909 3.807 -0.873 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.687 3.239 -2.099 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.468 4.702 -1.533 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.547 3.784 -1.578 1.00 0.00 H new ATOM 0 HE22 GLN B 17 15.060 2.581 -0.391 1.00 0.00 H new ATOM 1005 N LYS B 18 11.787 6.566 2.035 1.00 0.00 N ATOM 1006 CA LYS B 18 12.897 7.093 2.823 1.00 0.00 C ATOM 1007 C LYS B 18 13.624 8.203 2.057 1.00 0.00 C ATOM 1008 O LYS B 18 14.848 8.193 1.928 1.00 0.00 O ATOM 1009 CB LYS B 18 13.854 5.965 3.224 1.00 0.00 C ATOM 1010 CG LYS B 18 13.274 5.022 4.272 1.00 0.00 C ATOM 1011 CD LYS B 18 13.612 5.487 5.679 1.00 0.00 C ATOM 1012 CE LYS B 18 12.946 4.632 6.750 1.00 0.00 C ATOM 1013 NZ LYS B 18 13.529 4.881 8.102 1.00 0.00 N ATOM 0 H LYS B 18 10.876 6.659 2.484 1.00 0.00 H new ATOM 0 HA LYS B 18 12.499 7.531 3.738 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.119 5.391 2.336 1.00 0.00 H new ATOM 0 HB3 LYS B 18 14.776 6.401 3.609 1.00 0.00 H new ATOM 0 HG2 LYS B 18 12.192 4.966 4.155 1.00 0.00 H new ATOM 0 HG3 LYS B 18 13.664 4.016 4.115 1.00 0.00 H new ATOM 0 HD2 LYS B 18 14.693 5.461 5.817 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.300 6.524 5.800 1.00 0.00 H new ATOM 0 HE2 LYS B 18 11.877 4.844 6.771 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.057 3.578 6.495 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.049 4.281 8.803 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.544 4.655 8.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.400 5.881 8.357 1.00 0.00 H new ATOM 1027 N LYS B 19 12.828 9.147 1.546 1.00 0.00 N ATOM 1028 CA LYS B 19 13.316 10.311 0.795 1.00 0.00 C ATOM 1029 C LYS B 19 13.823 9.939 -0.602 1.00 0.00 C ATOM 1030 O LYS B 19 14.521 10.724 -1.245 1.00 0.00 O ATOM 1031 CB LYS B 19 14.398 11.069 1.581 1.00 0.00 C ATOM 1032 CG LYS B 19 13.836 12.073 2.582 1.00 0.00 C ATOM 1033 CD LYS B 19 13.026 11.385 3.671 1.00 0.00 C ATOM 1034 CE LYS B 19 12.149 12.363 4.438 1.00 0.00 C ATOM 1035 NZ LYS B 19 12.863 12.977 5.592 1.00 0.00 N ATOM 0 H LYS B 19 11.813 9.125 1.643 1.00 0.00 H new ATOM 0 HA LYS B 19 12.460 10.972 0.660 1.00 0.00 H new ATOM 0 HB2 LYS B 19 15.021 10.349 2.112 1.00 0.00 H new ATOM 0 HB3 LYS B 19 15.046 11.593 0.878 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.654 12.633 3.035 1.00 0.00 H new ATOM 0 HG3 LYS B 19 13.207 12.794 2.060 1.00 0.00 H new ATOM 0 HD2 LYS B 19 12.401 10.613 3.223 1.00 0.00 H new ATOM 0 HD3 LYS B 19 13.703 10.885 4.364 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.809 13.149 3.764 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.260 11.845 4.797 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.226 13.636 6.084 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 13.165 12.231 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 13.698 13.494 5.249 1.00 0.00 H new ATOM 1049 N GLN B 20 13.453 8.761 -1.079 1.00 0.00 N ATOM 1050 CA GLN B 20 13.860 8.312 -2.406 1.00 0.00 C ATOM 1051 C GLN B 20 12.667 8.364 -3.358 1.00 0.00 C ATOM 1052 O GLN B 20 11.676 7.674 -3.141 1.00 0.00 O ATOM 1053 CB GLN B 20 14.420 6.893 -2.333 1.00 0.00 C ATOM 1054 CG GLN B 20 15.170 6.469 -3.580 1.00 0.00 C ATOM 1055 CD GLN B 20 15.934 5.174 -3.387 1.00 0.00 C ATOM 1056 OE1 GLN B 20 16.340 4.903 -2.155 1.00 0.00 O flip ATOM 1057 NE2 GLN B 20 16.147 4.420 -4.334 1.00 0.00 N flip ATOM 0 H GLN B 20 12.871 8.096 -0.569 1.00 0.00 H new ATOM 0 HA GLN B 20 14.641 8.973 -2.782 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.088 6.819 -1.475 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.600 6.197 -2.159 1.00 0.00 H new ATOM 0 HG2 GLN B 20 14.464 6.351 -4.402 1.00 0.00 H new ATOM 0 HG3 GLN B 20 15.865 7.258 -3.867 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.817 4.667 -5.267 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.654 3.547 -4.187 1.00 0.00 H new ATOM 1066 N ASP B 21 12.769 9.178 -4.406 1.00 0.00 N ATOM 1067 CA ASP B 21 11.676 9.343 -5.371 1.00 0.00 C ATOM 1068 C ASP B 21 11.379 8.048 -6.118 1.00 0.00 C ATOM 1069 O ASP B 21 12.285 7.270 -6.418 1.00 0.00 O ATOM 1070 CB ASP B 21 12.000 10.462 -6.376 1.00 0.00 C ATOM 1071 CG ASP B 21 12.729 9.970 -7.622 1.00 0.00 C ATOM 1072 OD1 ASP B 21 12.055 9.548 -8.584 1.00 0.00 O ATOM 1073 OD2 ASP B 21 13.977 10.019 -7.659 1.00 0.00 O ATOM 0 H ASP B 21 13.598 9.736 -4.612 1.00 0.00 H new ATOM 0 HA ASP B 21 10.787 9.617 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP B 21 11.072 10.949 -6.676 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.611 11.217 -5.882 1.00 0.00 H new ATOM 1078 N GLY B 22 10.100 7.808 -6.388 1.00 0.00 N ATOM 1079 CA GLY B 22 9.713 6.627 -7.114 1.00 0.00 C ATOM 1080 C GLY B 22 8.225 6.563 -7.380 1.00 0.00 C ATOM 1081 O GLY B 22 7.479 7.488 -7.062 1.00 0.00 O ATOM 0 H GLY B 22 9.328 8.416 -6.114 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.249 6.598 -8.063 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.015 5.744 -6.550 1.00 0.00 H new ATOM 1085 N ALA B 23 7.811 5.472 -7.986 1.00 0.00 N ATOM 1086 CA ALA B 23 6.421 5.218 -8.291 1.00 0.00 C ATOM 1087 C ALA B 23 6.082 3.815 -7.823 1.00 0.00 C ATOM 1088 O ALA B 23 6.893 2.899 -7.966 1.00 0.00 O ATOM 1089 CB ALA B 23 6.165 5.373 -9.779 1.00 0.00 C ATOM 0 H ALA B 23 8.440 4.726 -8.285 1.00 0.00 H new ATOM 0 HA ALA B 23 5.786 5.939 -7.777 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.113 5.178 -9.990 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.415 6.388 -10.087 1.00 0.00 H new ATOM 0 HB3 ALA B 23 6.783 4.664 -10.330 1.00 0.00 H new ATOM 1095 N LEU B 24 4.899 3.638 -7.270 1.00 0.00 N ATOM 1096 CA LEU B 24 4.509 2.342 -6.751 1.00 0.00 C ATOM 1097 C LEU B 24 3.556 1.652 -7.730 1.00 0.00 C ATOM 1098 O LEU B 24 2.491 2.175 -8.049 1.00 0.00 O ATOM 1099 CB LEU B 24 3.856 2.533 -5.379 1.00 0.00 C ATOM 1100 CG LEU B 24 4.057 1.396 -4.371 1.00 0.00 C ATOM 1101 CD1 LEU B 24 2.976 1.436 -3.301 1.00 0.00 C ATOM 1102 CD2 LEU B 24 4.088 0.042 -5.052 1.00 0.00 C ATOM 0 H LEU B 24 4.195 4.369 -7.169 1.00 0.00 H new ATOM 0 HA LEU B 24 5.385 1.704 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.243 3.453 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.785 2.676 -5.526 1.00 0.00 H new ATOM 0 HG LEU B 24 5.026 1.544 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU B 24 3.134 0.622 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU B 24 3.021 2.389 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.997 1.326 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.232 -0.738 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.145 -0.125 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU B 24 4.909 0.014 -5.769 1.00 0.00 H new ATOM 1114 N TYR B 25 3.948 0.482 -8.211 1.00 0.00 N ATOM 1115 CA TYR B 25 3.134 -0.268 -9.154 1.00 0.00 C ATOM 1116 C TYR B 25 2.700 -1.600 -8.548 1.00 0.00 C ATOM 1117 O TYR B 25 3.510 -2.509 -8.350 1.00 0.00 O ATOM 1118 CB TYR B 25 3.903 -0.483 -10.460 1.00 0.00 C ATOM 1119 CG TYR B 25 4.308 0.811 -11.133 1.00 0.00 C ATOM 1120 CD1 TYR B 25 3.367 1.607 -11.772 1.00 0.00 C ATOM 1121 CD2 TYR B 25 5.628 1.244 -11.115 1.00 0.00 C ATOM 1122 CE1 TYR B 25 3.728 2.796 -12.376 1.00 0.00 C ATOM 1123 CE2 TYR B 25 5.997 2.434 -11.715 1.00 0.00 C ATOM 1124 CZ TYR B 25 5.042 3.206 -12.345 1.00 0.00 C ATOM 1125 OH TYR B 25 5.402 4.399 -12.938 1.00 0.00 O ATOM 0 H TYR B 25 4.828 0.030 -7.962 1.00 0.00 H new ATOM 0 HA TYR B 25 2.235 0.307 -9.376 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.796 -1.074 -10.255 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.287 -1.064 -11.146 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.335 1.291 -11.797 1.00 0.00 H new ATOM 0 HD2 TYR B 25 6.378 0.641 -10.624 1.00 0.00 H new ATOM 0 HE1 TYR B 25 2.983 3.401 -12.870 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.027 2.758 -11.691 1.00 0.00 H new ATOM 0 HH TYR B 25 6.365 4.542 -12.826 1.00 0.00 H new ATOM 1135 N LEU B 26 1.413 -1.697 -8.248 1.00 0.00 N ATOM 1136 CA LEU B 26 0.842 -2.897 -7.651 1.00 0.00 C ATOM 1137 C LEU B 26 0.469 -3.919 -8.709 1.00 0.00 C ATOM 1138 O LEU B 26 -0.529 -3.758 -9.401 1.00 0.00 O ATOM 1139 CB LEU B 26 -0.413 -2.539 -6.846 1.00 0.00 C ATOM 1140 CG LEU B 26 -0.164 -1.931 -5.469 1.00 0.00 C ATOM 1141 CD1 LEU B 26 -1.462 -1.434 -4.864 1.00 0.00 C ATOM 1142 CD2 LEU B 26 0.466 -2.951 -4.551 1.00 0.00 C ATOM 0 H LEU B 26 0.737 -0.950 -8.410 1.00 0.00 H new ATOM 0 HA LEU B 26 1.599 -3.329 -6.996 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.009 -1.838 -7.430 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.012 -3.441 -6.722 1.00 0.00 H new ATOM 0 HG LEU B 26 0.517 -1.088 -5.587 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.265 -1.004 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -1.898 -0.674 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.158 -2.267 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.638 -2.503 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.201 -3.807 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.416 -3.281 -4.971 1.00 0.00 H new ATOM 1154 N MET B 27 1.273 -4.962 -8.837 1.00 0.00 N ATOM 1155 CA MET B 27 0.994 -6.023 -9.795 1.00 0.00 C ATOM 1156 C MET B 27 0.164 -7.093 -9.098 1.00 0.00 C ATOM 1157 O MET B 27 -0.204 -6.928 -7.932 1.00 0.00 O ATOM 1158 CB MET B 27 2.289 -6.623 -10.343 1.00 0.00 C ATOM 1159 CG MET B 27 3.289 -5.586 -10.823 1.00 0.00 C ATOM 1160 SD MET B 27 4.915 -6.295 -11.155 1.00 0.00 S ATOM 1161 CE MET B 27 5.858 -4.810 -11.491 1.00 0.00 C ATOM 0 H MET B 27 2.124 -5.098 -8.291 1.00 0.00 H new ATOM 0 HA MET B 27 0.442 -5.613 -10.641 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.754 -7.231 -9.567 1.00 0.00 H new ATOM 0 HB3 MET B 27 2.048 -7.291 -11.169 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.910 -5.113 -11.729 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.384 -4.803 -10.071 1.00 0.00 H new ATOM 0 HE1 MET B 27 6.874 -4.931 -11.115 1.00 0.00 H new ATOM 0 HE2 MET B 27 5.887 -4.633 -12.566 1.00 0.00 H new ATOM 0 HE3 MET B 27 5.387 -3.960 -10.996 1.00 0.00 H new ATOM 1171 N ALA B 28 -0.135 -8.179 -9.789 1.00 0.00 N ATOM 1172 CA ALA B 28 -0.931 -9.244 -9.197 1.00 0.00 C ATOM 1173 C ALA B 28 -0.082 -10.135 -8.284 1.00 0.00 C ATOM 1174 O ALA B 28 -0.425 -10.355 -7.124 1.00 0.00 O ATOM 1175 CB ALA B 28 -1.593 -10.071 -10.286 1.00 0.00 C ATOM 0 H ALA B 28 0.157 -8.348 -10.752 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.706 -8.785 -8.582 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.186 -10.864 -9.831 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.242 -9.432 -10.885 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.827 -10.511 -10.925 1.00 0.00 H new ATOM 1181 N GLU B 29 1.032 -10.630 -8.812 1.00 0.00 N ATOM 1182 CA GLU B 29 1.929 -11.509 -8.058 1.00 0.00 C ATOM 1183 C GLU B 29 2.719 -10.766 -6.985 1.00 0.00 C ATOM 1184 O GLU B 29 2.953 -11.299 -5.896 1.00 0.00 O ATOM 1185 CB GLU B 29 2.933 -12.178 -8.998 1.00 0.00 C ATOM 1186 CG GLU B 29 2.467 -13.492 -9.600 1.00 0.00 C ATOM 1187 CD GLU B 29 3.426 -13.990 -10.662 1.00 0.00 C ATOM 1188 OE1 GLU B 29 4.633 -13.673 -10.574 1.00 0.00 O ATOM 1189 OE2 GLU B 29 2.993 -14.692 -11.595 1.00 0.00 O ATOM 0 H GLU B 29 1.340 -10.438 -9.765 1.00 0.00 H new ATOM 0 HA GLU B 29 1.290 -12.248 -7.574 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.167 -11.487 -9.808 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.859 -12.354 -8.451 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.374 -14.241 -8.813 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.476 -13.362 -10.036 1.00 0.00 H new ATOM 1196 N ARG B 30 3.134 -9.540 -7.280 1.00 0.00 N ATOM 1197 CA ARG B 30 3.948 -8.793 -6.335 1.00 0.00 C ATOM 1198 C ARG B 30 3.776 -7.289 -6.482 1.00 0.00 C ATOM 1199 O ARG B 30 3.251 -6.801 -7.479 1.00 0.00 O ATOM 1200 CB ARG B 30 5.421 -9.152 -6.547 1.00 0.00 C ATOM 1201 CG ARG B 30 5.967 -8.681 -7.885 1.00 0.00 C ATOM 1202 CD ARG B 30 6.776 -9.763 -8.578 1.00 0.00 C ATOM 1203 NE ARG B 30 7.078 -9.407 -9.963 1.00 0.00 N ATOM 1204 CZ ARG B 30 6.514 -9.989 -11.023 1.00 0.00 C ATOM 1205 NH1 ARG B 30 5.646 -10.979 -10.864 1.00 0.00 N ATOM 1206 NH2 ARG B 30 6.820 -9.591 -12.250 1.00 0.00 N ATOM 0 H ARG B 30 2.924 -9.051 -8.150 1.00 0.00 H new ATOM 0 HA ARG B 30 3.620 -9.066 -5.332 1.00 0.00 H new ATOM 0 HB2 ARG B 30 6.014 -8.712 -5.745 1.00 0.00 H new ATOM 0 HB3 ARG B 30 5.539 -10.233 -6.475 1.00 0.00 H new ATOM 0 HG2 ARG B 30 5.141 -8.377 -8.528 1.00 0.00 H new ATOM 0 HG3 ARG B 30 6.592 -7.801 -7.733 1.00 0.00 H new ATOM 0 HD2 ARG B 30 7.706 -9.928 -8.033 1.00 0.00 H new ATOM 0 HD3 ARG B 30 6.223 -10.702 -8.556 1.00 0.00 H new ATOM 0 HE ARG B 30 7.762 -8.669 -10.129 1.00 0.00 H new ATOM 0 HH11 ARG B 30 5.405 -11.301 -9.926 1.00 0.00 H new ATOM 0 HH12 ARG B 30 5.219 -11.419 -11.679 1.00 0.00 H new ATOM 0 HH21 ARG B 30 7.491 -8.835 -12.389 1.00 0.00 H new ATOM 0 HH22 ARG B 30 6.385 -10.041 -13.055 1.00 0.00 H new ATOM 1220 N ILE B 31 4.230 -6.569 -5.472 1.00 0.00 N ATOM 1221 CA ILE B 31 4.182 -5.121 -5.468 1.00 0.00 C ATOM 1222 C ILE B 31 5.581 -4.602 -5.774 1.00 0.00 C ATOM 1223 O ILE B 31 6.539 -4.939 -5.079 1.00 0.00 O ATOM 1224 CB ILE B 31 3.679 -4.569 -4.108 1.00 0.00 C ATOM 1225 CG1 ILE B 31 4.062 -3.099 -3.935 1.00 0.00 C ATOM 1226 CG2 ILE B 31 4.222 -5.395 -2.954 1.00 0.00 C ATOM 1227 CD1 ILE B 31 3.518 -2.473 -2.668 1.00 0.00 C ATOM 0 H ILE B 31 4.642 -6.974 -4.631 1.00 0.00 H new ATOM 0 HA ILE B 31 3.476 -4.780 -6.225 1.00 0.00 H new ATOM 0 HB ILE B 31 2.591 -4.641 -4.103 1.00 0.00 H new ATOM 0 HG12 ILE B 31 5.149 -3.014 -3.934 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.698 -2.535 -4.794 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.855 -4.988 -2.011 1.00 0.00 H new ATOM 0 HG22 ILE B 31 3.889 -6.428 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.311 -5.362 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.831 -1.430 -2.614 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.429 -2.526 -2.675 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.902 -3.012 -1.802 1.00 0.00 H new ATOM 1239 N ALA B 32 5.714 -3.819 -6.827 1.00 0.00 N ATOM 1240 CA ALA B 32 7.017 -3.309 -7.207 1.00 0.00 C ATOM 1241 C ALA B 32 7.057 -1.793 -7.183 1.00 0.00 C ATOM 1242 O ALA B 32 6.074 -1.123 -7.493 1.00 0.00 O ATOM 1243 CB ALA B 32 7.410 -3.828 -8.577 1.00 0.00 C ATOM 0 H ALA B 32 4.945 -3.525 -7.429 1.00 0.00 H new ATOM 0 HA ALA B 32 7.738 -3.668 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.390 -3.436 -8.847 1.00 0.00 H new ATOM 0 HB2 ALA B 32 7.448 -4.917 -8.556 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.674 -3.505 -9.313 1.00 0.00 H new ATOM 1249 N TRP B 33 8.204 -1.269 -6.810 1.00 0.00 N ATOM 1250 CA TRP B 33 8.411 0.159 -6.742 1.00 0.00 C ATOM 1251 C TRP B 33 9.694 0.513 -7.481 1.00 0.00 C ATOM 1252 O TRP B 33 10.707 -0.187 -7.365 1.00 0.00 O ATOM 1253 CB TRP B 33 8.472 0.607 -5.275 1.00 0.00 C ATOM 1254 CG TRP B 33 8.819 2.054 -5.080 1.00 0.00 C ATOM 1255 CD1 TRP B 33 7.954 3.103 -4.948 1.00 0.00 C ATOM 1256 CD2 TRP B 33 10.134 2.607 -4.981 1.00 0.00 C ATOM 1257 NE1 TRP B 33 8.654 4.272 -4.777 1.00 0.00 N ATOM 1258 CE2 TRP B 33 9.995 3.991 -4.794 1.00 0.00 C ATOM 1259 CE3 TRP B 33 11.414 2.058 -5.034 1.00 0.00 C ATOM 1260 CZ2 TRP B 33 11.094 4.835 -4.660 1.00 0.00 C ATOM 1261 CZ3 TRP B 33 12.504 2.895 -4.904 1.00 0.00 C ATOM 1262 CH2 TRP B 33 12.338 4.271 -4.718 1.00 0.00 C ATOM 0 H TRP B 33 9.019 -1.822 -6.545 1.00 0.00 H new ATOM 0 HA TRP B 33 7.580 0.681 -7.217 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.506 0.412 -4.808 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.208 -0.004 -4.752 1.00 0.00 H new ATOM 0 HD1 TRP B 33 6.877 3.024 -4.974 1.00 0.00 H new ATOM 0 HE1 TRP B 33 8.243 5.198 -4.657 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.551 0.996 -5.174 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 10.968 5.898 -4.515 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.500 2.481 -4.947 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.210 4.901 -4.618 1.00 0.00 H new ATOM 1273 N ALA B 34 9.640 1.581 -8.251 1.00 0.00 N ATOM 1274 CA ALA B 34 10.785 2.039 -9.017 1.00 0.00 C ATOM 1275 C ALA B 34 10.796 3.553 -9.065 1.00 0.00 C ATOM 1276 O ALA B 34 9.738 4.165 -9.145 1.00 0.00 O ATOM 1277 CB ALA B 34 10.741 1.471 -10.426 1.00 0.00 C ATOM 0 H ALA B 34 8.805 2.155 -8.364 1.00 0.00 H new ATOM 0 HA ALA B 34 11.697 1.690 -8.532 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.606 1.824 -10.988 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.757 0.382 -10.380 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.828 1.799 -10.922 1.00 0.00 H new ATOM 1283 N PRO B 35 11.987 4.173 -8.998 1.00 0.00 N ATOM 1284 CA PRO B 35 12.129 5.634 -9.037 1.00 0.00 C ATOM 1285 C PRO B 35 11.311 6.277 -10.162 1.00 0.00 C ATOM 1286 O PRO B 35 11.248 5.753 -11.275 1.00 0.00 O ATOM 1287 CB PRO B 35 13.625 5.831 -9.258 1.00 0.00 C ATOM 1288 CG PRO B 35 14.257 4.627 -8.652 1.00 0.00 C ATOM 1289 CD PRO B 35 13.291 3.496 -8.872 1.00 0.00 C ATOM 0 HA PRO B 35 11.756 6.109 -8.130 1.00 0.00 H new ATOM 0 HB2 PRO B 35 13.862 5.911 -10.319 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.979 6.746 -8.783 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.219 4.415 -9.119 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.445 4.778 -7.589 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.536 2.928 -9.770 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.299 2.794 -8.038 1.00 0.00 H new ATOM 1411 N ILE B 43 12.848 -2.195 -6.056 1.00 0.00 N ATOM 1412 CA ILE B 43 12.225 -2.988 -5.006 1.00 0.00 C ATOM 1413 C ILE B 43 10.970 -3.696 -5.510 1.00 0.00 C ATOM 1414 O ILE B 43 10.150 -3.103 -6.208 1.00 0.00 O ATOM 1415 CB ILE B 43 11.848 -2.116 -3.788 1.00 0.00 C ATOM 1416 CG1 ILE B 43 12.939 -1.082 -3.492 1.00 0.00 C ATOM 1417 CG2 ILE B 43 11.617 -2.995 -2.570 1.00 0.00 C ATOM 1418 CD1 ILE B 43 12.581 -0.129 -2.373 1.00 0.00 C ATOM 0 HA ILE B 43 12.961 -3.732 -4.703 1.00 0.00 H new ATOM 0 HB ILE B 43 10.928 -1.581 -4.024 1.00 0.00 H new ATOM 0 HG12 ILE B 43 13.861 -1.603 -3.234 1.00 0.00 H new ATOM 0 HG13 ILE B 43 13.139 -0.508 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE B 43 11.352 -2.371 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE B 43 10.806 -3.694 -2.774 1.00 0.00 H new ATOM 0 HG23 ILE B 43 12.527 -3.551 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.399 0.575 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE B 43 11.676 0.419 -2.637 1.00 0.00 H new ATOM 0 HD13 ILE B 43 12.409 -0.693 -1.456 1.00 0.00 H new ATOM 1430 N SER B 44 10.840 -4.971 -5.168 1.00 0.00 N ATOM 1431 CA SER B 44 9.689 -5.765 -5.557 1.00 0.00 C ATOM 1432 C SER B 44 9.393 -6.798 -4.467 1.00 0.00 C ATOM 1433 O SER B 44 10.196 -7.696 -4.222 1.00 0.00 O ATOM 1434 CB SER B 44 9.956 -6.453 -6.898 1.00 0.00 C ATOM 1435 OG SER B 44 8.754 -6.929 -7.483 1.00 0.00 O ATOM 0 H SER B 44 11.529 -5.480 -4.615 1.00 0.00 H new ATOM 0 HA SER B 44 8.820 -5.117 -5.674 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.441 -5.753 -7.578 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.645 -7.284 -6.751 1.00 0.00 H new ATOM 0 HG SER B 44 8.956 -7.362 -8.339 1.00 0.00 H new ATOM 1441 N HIS B 45 8.250 -6.656 -3.807 1.00 0.00 N ATOM 1442 CA HIS B 45 7.861 -7.568 -2.734 1.00 0.00 C ATOM 1443 C HIS B 45 6.745 -8.482 -3.193 1.00 0.00 C ATOM 1444 O HIS B 45 5.723 -8.019 -3.693 1.00 0.00 O ATOM 1445 CB HIS B 45 7.372 -6.809 -1.490 1.00 0.00 C ATOM 1446 CG HIS B 45 7.984 -5.458 -1.281 1.00 0.00 C ATOM 1447 ND1 HIS B 45 7.710 -4.279 -1.893 1.00 0.00 N flip ATOM 1448 CD2 HIS B 45 8.959 -5.185 -0.347 1.00 0.00 C flip ATOM 1449 CE1 HIS B 45 8.504 -3.284 -1.344 1.00 0.00 C flip ATOM 1450 NE2 HIS B 45 9.236 -3.880 -0.419 1.00 0.00 N flip ATOM 0 H HIS B 45 7.573 -5.916 -3.995 1.00 0.00 H new ATOM 0 HA HIS B 45 8.748 -8.146 -2.477 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.290 -6.693 -1.558 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.572 -7.420 -0.610 1.00 0.00 H new ATOM 0 HD1 HIS B 45 7.028 -4.146 -2.639 1.00 0.00 H new ATOM 0 HD2 HIS B 45 9.417 -5.898 0.323 1.00 0.00 H new ATOM 0 HE1 HIS B 45 8.521 -2.239 -1.616 1.00 0.00 H new ATOM 1458 N MET B 46 6.936 -9.775 -3.029 1.00 0.00 N ATOM 1459 CA MET B 46 5.915 -10.733 -3.404 1.00 0.00 C ATOM 1460 C MET B 46 4.813 -10.708 -2.357 1.00 0.00 C ATOM 1461 O MET B 46 5.102 -10.635 -1.164 1.00 0.00 O ATOM 1462 CB MET B 46 6.504 -12.143 -3.507 1.00 0.00 C ATOM 1463 CG MET B 46 7.435 -12.340 -4.694 1.00 0.00 C ATOM 1464 SD MET B 46 6.557 -12.434 -6.269 1.00 0.00 S ATOM 1465 CE MET B 46 5.547 -13.893 -6.014 1.00 0.00 C ATOM 0 H MET B 46 7.785 -10.186 -2.640 1.00 0.00 H new ATOM 0 HA MET B 46 5.511 -10.463 -4.380 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.049 -12.366 -2.590 1.00 0.00 H new ATOM 0 HB3 MET B 46 5.688 -12.862 -3.575 1.00 0.00 H new ATOM 0 HG2 MET B 46 8.148 -11.517 -4.730 1.00 0.00 H new ATOM 0 HG3 MET B 46 8.011 -13.254 -4.550 1.00 0.00 H new ATOM 0 HE1 MET B 46 5.257 -14.308 -6.979 1.00 0.00 H new ATOM 0 HE2 MET B 46 6.116 -14.637 -5.456 1.00 0.00 H new ATOM 0 HE3 MET B 46 4.653 -13.623 -5.451 1.00 0.00 H new ATOM 1475 N TYR B 47 3.558 -10.740 -2.792 1.00 0.00 N ATOM 1476 CA TYR B 47 2.429 -10.732 -1.856 1.00 0.00 C ATOM 1477 C TYR B 47 2.571 -11.885 -0.865 1.00 0.00 C ATOM 1478 O TYR B 47 2.230 -11.765 0.309 1.00 0.00 O ATOM 1479 CB TYR B 47 1.096 -10.854 -2.599 1.00 0.00 C ATOM 1480 CG TYR B 47 0.612 -9.574 -3.250 1.00 0.00 C ATOM 1481 CD1 TYR B 47 1.290 -9.020 -4.323 1.00 0.00 C ATOM 1482 CD2 TYR B 47 -0.539 -8.933 -2.803 1.00 0.00 C ATOM 1483 CE1 TYR B 47 0.843 -7.867 -4.934 1.00 0.00 C ATOM 1484 CE2 TYR B 47 -0.991 -7.774 -3.409 1.00 0.00 C ATOM 1485 CZ TYR B 47 -0.295 -7.247 -4.476 1.00 0.00 C ATOM 1486 OH TYR B 47 -0.740 -6.102 -5.093 1.00 0.00 O ATOM 0 H TYR B 47 3.293 -10.771 -3.777 1.00 0.00 H new ATOM 0 HA TYR B 47 2.438 -9.783 -1.320 1.00 0.00 H new ATOM 0 HB2 TYR B 47 1.193 -11.621 -3.367 1.00 0.00 H new ATOM 0 HB3 TYR B 47 0.336 -11.199 -1.898 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.186 -9.500 -4.688 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.088 -9.346 -1.970 1.00 0.00 H new ATOM 0 HE1 TYR B 47 1.386 -7.452 -5.770 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.884 -7.285 -3.048 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.637 -6.192 -6.063 1.00 0.00 H new ATOM 1496 N ALA B 48 3.113 -12.990 -1.358 1.00 0.00 N ATOM 1497 CA ALA B 48 3.334 -14.189 -0.564 1.00 0.00 C ATOM 1498 C ALA B 48 4.338 -13.978 0.571 1.00 0.00 C ATOM 1499 O ALA B 48 4.506 -14.866 1.405 1.00 0.00 O ATOM 1500 CB ALA B 48 3.824 -15.310 -1.468 1.00 0.00 C ATOM 0 H ALA B 48 3.414 -13.079 -2.328 1.00 0.00 H new ATOM 0 HA ALA B 48 2.380 -14.449 -0.105 1.00 0.00 H new ATOM 0 HB1 ALA B 48 3.990 -16.209 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.075 -15.513 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.758 -15.012 -1.944 1.00 0.00 H new ATOM 1506 N ASP B 49 5.000 -12.821 0.597 1.00 0.00 N ATOM 1507 CA ASP B 49 5.998 -12.520 1.615 1.00 0.00 C ATOM 1508 C ASP B 49 5.573 -11.377 2.532 1.00 0.00 C ATOM 1509 O ASP B 49 6.145 -11.200 3.610 1.00 0.00 O ATOM 1510 CB ASP B 49 7.311 -12.145 0.957 1.00 0.00 C ATOM 1511 CG ASP B 49 8.061 -13.335 0.398 1.00 0.00 C ATOM 1512 OD1 ASP B 49 7.604 -13.913 -0.613 1.00 0.00 O ATOM 1513 OD2 ASP B 49 9.101 -13.710 0.974 1.00 0.00 O ATOM 0 H ASP B 49 4.859 -12.074 -0.083 1.00 0.00 H new ATOM 0 HA ASP B 49 6.109 -13.420 2.221 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.117 -11.436 0.152 1.00 0.00 H new ATOM 0 HB3 ASP B 49 7.942 -11.636 1.685 1.00 0.00 H new ATOM 1518 N ILE B 50 4.586 -10.597 2.126 1.00 0.00 N ATOM 1519 CA ILE B 50 4.142 -9.488 2.959 1.00 0.00 C ATOM 1520 C ILE B 50 3.194 -10.003 4.017 1.00 0.00 C ATOM 1521 O ILE B 50 2.120 -10.510 3.711 1.00 0.00 O ATOM 1522 CB ILE B 50 3.468 -8.364 2.152 1.00 0.00 C ATOM 1523 CG1 ILE B 50 4.089 -8.288 0.759 1.00 0.00 C ATOM 1524 CG2 ILE B 50 3.616 -7.027 2.881 1.00 0.00 C ATOM 1525 CD1 ILE B 50 3.644 -7.090 -0.032 1.00 0.00 C ATOM 0 H ILE B 50 4.085 -10.705 1.244 1.00 0.00 H new ATOM 0 HA ILE B 50 5.029 -9.054 3.421 1.00 0.00 H new ATOM 0 HB ILE B 50 2.405 -8.582 2.052 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.175 -8.267 0.855 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.835 -9.193 0.207 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.135 -6.240 2.300 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.145 -7.093 3.862 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.674 -6.794 3.002 1.00 0.00 H new ATOM 0 HD11 ILE B 50 4.125 -7.101 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.562 -7.119 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE B 50 3.922 -6.180 0.499 1.00 0.00 H new ATOM 1537 N LYS B 51 3.600 -9.882 5.265 1.00 0.00 N ATOM 1538 CA LYS B 51 2.800 -10.376 6.362 1.00 0.00 C ATOM 1539 C LYS B 51 1.757 -9.352 6.800 1.00 0.00 C ATOM 1540 O LYS B 51 0.660 -9.715 7.202 1.00 0.00 O ATOM 1541 CB LYS B 51 3.694 -10.733 7.544 1.00 0.00 C ATOM 1542 CG LYS B 51 3.143 -11.864 8.392 1.00 0.00 C ATOM 1543 CD LYS B 51 3.211 -11.537 9.869 1.00 0.00 C ATOM 1544 CE LYS B 51 2.063 -10.633 10.292 1.00 0.00 C ATOM 1545 NZ LYS B 51 0.734 -11.293 10.126 1.00 0.00 N ATOM 0 H LYS B 51 4.479 -9.446 5.542 1.00 0.00 H new ATOM 0 HA LYS B 51 2.277 -11.267 6.015 1.00 0.00 H new ATOM 0 HB2 LYS B 51 4.680 -11.013 7.173 1.00 0.00 H new ATOM 0 HB3 LYS B 51 3.827 -9.850 8.170 1.00 0.00 H new ATOM 0 HG2 LYS B 51 2.109 -12.061 8.110 1.00 0.00 H new ATOM 0 HG3 LYS B 51 3.707 -12.776 8.194 1.00 0.00 H new ATOM 0 HD2 LYS B 51 3.182 -12.459 10.449 1.00 0.00 H new ATOM 0 HD3 LYS B 51 4.160 -11.050 10.092 1.00 0.00 H new ATOM 0 HE2 LYS B 51 2.196 -10.344 11.335 1.00 0.00 H new ATOM 0 HE3 LYS B 51 2.088 -9.717 9.702 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 0.016 -10.768 10.665 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 0.474 -11.301 9.119 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 0.785 -12.270 10.478 1.00 0.00 H new ATOM 1559 N CYS B 52 2.107 -8.078 6.697 1.00 0.00 N ATOM 1560 CA CYS B 52 1.231 -6.984 7.113 1.00 0.00 C ATOM 1561 C CYS B 52 1.680 -5.690 6.441 1.00 0.00 C ATOM 1562 O CYS B 52 2.743 -5.644 5.818 1.00 0.00 O ATOM 1563 CB CYS B 52 1.292 -6.803 8.635 1.00 0.00 C ATOM 1564 SG CYS B 52 0.278 -7.967 9.578 1.00 0.00 S ATOM 0 H CYS B 52 3.005 -7.770 6.323 1.00 0.00 H new ATOM 0 HA CYS B 52 0.209 -7.223 6.820 1.00 0.00 H new ATOM 0 HB2 CYS B 52 2.329 -6.902 8.957 1.00 0.00 H new ATOM 0 HB3 CYS B 52 0.978 -5.788 8.879 1.00 0.00 H new ATOM 0 HG CYS B 52 -0.044 -8.974 8.821 1.00 0.00 H new ATOM 1570 N GLN B 53 0.881 -4.650 6.576 1.00 0.00 N ATOM 1571 CA GLN B 53 1.206 -3.352 6.009 1.00 0.00 C ATOM 1572 C GLN B 53 0.614 -2.279 6.889 1.00 0.00 C ATOM 1573 O GLN B 53 -0.538 -2.339 7.226 1.00 0.00 O ATOM 1574 CB GLN B 53 0.705 -3.215 4.563 1.00 0.00 C ATOM 1575 CG GLN B 53 -0.808 -3.185 4.410 1.00 0.00 C ATOM 1576 CD GLN B 53 -1.393 -4.549 4.120 1.00 0.00 C ATOM 1577 OE1 GLN B 53 -1.435 -4.981 2.977 1.00 0.00 O ATOM 1578 NE2 GLN B 53 -1.870 -5.229 5.150 1.00 0.00 N ATOM 0 H GLN B 53 -0.007 -4.678 7.078 1.00 0.00 H new ATOM 0 HA GLN B 53 2.290 -3.245 5.972 1.00 0.00 H new ATOM 0 HB2 GLN B 53 1.117 -2.301 4.136 1.00 0.00 H new ATOM 0 HB3 GLN B 53 1.099 -4.046 3.977 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -1.254 -2.790 5.323 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -1.074 -2.501 3.604 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -1.817 -4.835 6.090 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.291 -6.147 5.004 1.00 0.00 H new ATOM 1587 N LYS B 54 1.394 -1.312 7.296 1.00 0.00 N ATOM 1588 CA LYS B 54 0.867 -0.276 8.154 1.00 0.00 C ATOM 1589 C LYS B 54 0.785 1.034 7.388 1.00 0.00 C ATOM 1590 O LYS B 54 1.430 1.192 6.360 1.00 0.00 O ATOM 1591 CB LYS B 54 1.713 -0.134 9.408 1.00 0.00 C ATOM 1592 CG LYS B 54 2.199 -1.453 9.989 1.00 0.00 C ATOM 1593 CD LYS B 54 2.916 -1.240 11.315 1.00 0.00 C ATOM 1594 CE LYS B 54 3.310 -2.561 11.958 1.00 0.00 C ATOM 1595 NZ LYS B 54 3.497 -2.431 13.429 1.00 0.00 N ATOM 0 H LYS B 54 2.380 -1.217 7.054 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.139 -0.552 8.470 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.578 0.489 9.180 1.00 0.00 H new ATOM 0 HB3 LYS B 54 1.132 0.391 10.166 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.352 -2.123 10.134 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.872 -1.938 9.282 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.807 -0.633 11.154 1.00 0.00 H new ATOM 0 HD3 LYS B 54 2.270 -0.683 11.993 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.541 -3.307 11.755 1.00 0.00 H new ATOM 0 HE3 LYS B 54 4.233 -2.923 11.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.830 -3.336 13.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 4.200 -1.690 13.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 2.592 -2.176 13.873 1.00 0.00 H new ATOM 1609 N ILE B 55 -0.004 1.969 7.882 1.00 0.00 N ATOM 1610 CA ILE B 55 -0.195 3.240 7.194 1.00 0.00 C ATOM 1611 C ILE B 55 -0.036 4.432 8.135 1.00 0.00 C ATOM 1612 O ILE B 55 -0.616 4.447 9.210 1.00 0.00 O ATOM 1613 CB ILE B 55 -1.610 3.270 6.583 1.00 0.00 C ATOM 1614 CG1 ILE B 55 -2.656 3.151 7.702 1.00 0.00 C ATOM 1615 CG2 ILE B 55 -1.765 2.140 5.580 1.00 0.00 C ATOM 1616 CD1 ILE B 55 -3.891 2.371 7.335 1.00 0.00 C ATOM 0 H ILE B 55 -0.524 1.877 8.755 1.00 0.00 H new ATOM 0 HA ILE B 55 0.569 3.320 6.420 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.762 4.215 6.061 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.190 2.679 8.567 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.955 4.153 8.008 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.767 2.168 5.153 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -1.028 2.255 4.785 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.611 1.185 6.082 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.570 2.342 8.188 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.388 2.852 6.492 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.611 1.354 7.059 1.00 0.00 H new ATOM 1628 N SER B 56 0.757 5.427 7.753 1.00 0.00 N ATOM 1629 CA SER B 56 0.911 6.596 8.597 1.00 0.00 C ATOM 1630 C SER B 56 -0.305 7.476 8.367 1.00 0.00 C ATOM 1631 O SER B 56 -0.505 8.016 7.259 1.00 0.00 O ATOM 1632 CB SER B 56 2.232 7.336 8.351 1.00 0.00 C ATOM 1633 OG SER B 56 2.290 7.900 7.064 1.00 0.00 O ATOM 0 H SER B 56 1.290 5.446 6.884 1.00 0.00 H new ATOM 0 HA SER B 56 0.965 6.297 9.644 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.351 8.122 9.097 1.00 0.00 H new ATOM 0 HB3 SER B 56 3.064 6.644 8.481 1.00 0.00 H new ATOM 0 HG SER B 56 2.385 8.873 7.137 1.00 0.00 H new ATOM 1639 N PRO B 57 -1.129 7.572 9.427 1.00 0.00 N ATOM 1640 CA PRO B 57 -2.419 8.282 9.448 1.00 0.00 C ATOM 1641 C PRO B 57 -2.336 9.800 9.483 1.00 0.00 C ATOM 1642 O PRO B 57 -1.266 10.387 9.683 1.00 0.00 O ATOM 1643 CB PRO B 57 -3.054 7.785 10.745 1.00 0.00 C ATOM 1644 CG PRO B 57 -1.893 7.531 11.640 1.00 0.00 C ATOM 1645 CD PRO B 57 -0.824 6.982 10.751 1.00 0.00 C ATOM 0 HA PRO B 57 -2.970 8.078 8.530 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -3.730 8.528 11.169 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -3.638 6.879 10.582 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -1.565 8.448 12.129 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -2.151 6.824 12.428 1.00 0.00 H new ATOM 0 HD2 PRO B 57 0.170 7.267 11.097 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.850 5.893 10.719 1.00 0.00 H new ATOM 1653 N GLU B 58 -3.500 10.413 9.257 1.00 0.00 N ATOM 1654 CA GLU B 58 -3.653 11.858 9.280 1.00 0.00 C ATOM 1655 C GLU B 58 -3.116 12.421 10.590 1.00 0.00 C ATOM 1656 O GLU B 58 -3.182 11.777 11.638 1.00 0.00 O ATOM 1657 CB GLU B 58 -5.125 12.243 9.095 1.00 0.00 C ATOM 1658 CG GLU B 58 -5.570 12.290 7.638 1.00 0.00 C ATOM 1659 CD GLU B 58 -5.195 11.041 6.866 1.00 0.00 C ATOM 1660 OE1 GLU B 58 -5.904 10.022 6.988 1.00 0.00 O ATOM 1661 OE2 GLU B 58 -4.178 11.068 6.148 1.00 0.00 O ATOM 0 H GLU B 58 -4.365 9.912 9.052 1.00 0.00 H new ATOM 0 HA GLU B 58 -3.080 12.284 8.456 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -5.748 11.528 9.633 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -5.295 13.219 9.549 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -6.651 12.425 7.598 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -5.122 13.158 7.154 1.00 0.00 H new ATOM 1668 N GLY B 59 -2.602 13.629 10.520 1.00 0.00 N ATOM 1669 CA GLY B 59 -2.000 14.256 11.672 1.00 0.00 C ATOM 1670 C GLY B 59 -0.538 14.442 11.384 1.00 0.00 C ATOM 1671 O GLY B 59 0.110 15.371 11.862 1.00 0.00 O ATOM 0 H GLY B 59 -2.590 14.197 9.673 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -2.474 15.216 11.875 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -2.139 13.638 12.559 1.00 0.00 H new ATOM 1675 N LYS B 60 -0.030 13.521 10.579 1.00 0.00 N ATOM 1676 CA LYS B 60 1.336 13.558 10.122 1.00 0.00 C ATOM 1677 C LYS B 60 1.373 14.370 8.841 1.00 0.00 C ATOM 1678 O LYS B 60 0.434 14.323 8.049 1.00 0.00 O ATOM 1679 CB LYS B 60 1.863 12.147 9.827 1.00 0.00 C ATOM 1680 CG LYS B 60 2.533 11.437 10.996 1.00 0.00 C ATOM 1681 CD LYS B 60 3.298 10.213 10.501 1.00 0.00 C ATOM 1682 CE LYS B 60 3.970 9.441 11.629 1.00 0.00 C ATOM 1683 NZ LYS B 60 5.029 10.229 12.317 1.00 0.00 N ATOM 0 H LYS B 60 -0.563 12.726 10.227 1.00 0.00 H new ATOM 0 HA LYS B 60 1.962 14.000 10.898 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.032 11.533 9.481 1.00 0.00 H new ATOM 0 HB3 LYS B 60 2.577 12.210 9.006 1.00 0.00 H new ATOM 0 HG2 LYS B 60 3.214 12.120 11.503 1.00 0.00 H new ATOM 0 HG3 LYS B 60 1.782 11.135 11.726 1.00 0.00 H new ATOM 0 HD2 LYS B 60 2.612 9.551 9.972 1.00 0.00 H new ATOM 0 HD3 LYS B 60 4.054 10.529 9.782 1.00 0.00 H new ATOM 0 HE2 LYS B 60 3.216 9.141 12.357 1.00 0.00 H new ATOM 0 HE3 LYS B 60 4.407 8.527 11.227 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 5.166 9.860 13.280 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 5.920 10.150 11.787 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 4.742 11.227 12.366 1.00 0.00 H new ATOM 1697 N ALA B 61 2.441 15.114 8.635 1.00 0.00 N ATOM 1698 CA ALA B 61 2.588 15.904 7.421 1.00 0.00 C ATOM 1699 C ALA B 61 2.932 14.990 6.249 1.00 0.00 C ATOM 1700 O ALA B 61 3.042 15.427 5.107 1.00 0.00 O ATOM 1701 CB ALA B 61 3.659 16.969 7.606 1.00 0.00 C ATOM 0 H ALA B 61 3.220 15.191 9.289 1.00 0.00 H new ATOM 0 HA ALA B 61 1.645 16.407 7.208 1.00 0.00 H new ATOM 0 HB1 ALA B 61 3.756 17.550 6.689 1.00 0.00 H new ATOM 0 HB2 ALA B 61 3.378 17.629 8.426 1.00 0.00 H new ATOM 0 HB3 ALA B 61 4.612 16.491 7.835 1.00 0.00 H new ATOM 1707 N LYS B 62 3.107 13.712 6.561 1.00 0.00 N ATOM 1708 CA LYS B 62 3.480 12.721 5.572 1.00 0.00 C ATOM 1709 C LYS B 62 2.552 11.498 5.609 1.00 0.00 C ATOM 1710 O LYS B 62 2.573 10.722 6.568 1.00 0.00 O ATOM 1711 CB LYS B 62 4.920 12.296 5.850 1.00 0.00 C ATOM 1712 CG LYS B 62 5.688 11.838 4.628 1.00 0.00 C ATOM 1713 CD LYS B 62 7.067 12.482 4.557 1.00 0.00 C ATOM 1714 CE LYS B 62 7.730 12.579 5.922 1.00 0.00 C ATOM 1715 NZ LYS B 62 8.349 11.299 6.340 1.00 0.00 N ATOM 0 H LYS B 62 2.994 13.339 7.504 1.00 0.00 H new ATOM 0 HA LYS B 62 3.389 13.158 4.578 1.00 0.00 H new ATOM 0 HB2 LYS B 62 5.451 13.133 6.304 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.912 11.488 6.582 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.793 10.753 4.649 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.124 12.086 3.729 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.702 11.902 3.887 1.00 0.00 H new ATOM 0 HD3 LYS B 62 6.978 13.480 4.127 1.00 0.00 H new ATOM 0 HE2 LYS B 62 8.492 13.358 5.898 1.00 0.00 H new ATOM 0 HE3 LYS B 62 6.989 12.880 6.663 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 8.698 11.385 7.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 7.641 10.539 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.143 11.074 5.707 1.00 0.00 H new ATOM 1729 N ILE B 63 1.733 11.350 4.572 1.00 0.00 N ATOM 1730 CA ILE B 63 0.825 10.208 4.445 1.00 0.00 C ATOM 1731 C ILE B 63 1.610 9.050 3.835 1.00 0.00 C ATOM 1732 O ILE B 63 2.138 9.180 2.728 1.00 0.00 O ATOM 1733 CB ILE B 63 -0.389 10.563 3.555 1.00 0.00 C ATOM 1734 CG1 ILE B 63 -1.312 11.542 4.281 1.00 0.00 C ATOM 1735 CG2 ILE B 63 -1.153 9.316 3.145 1.00 0.00 C ATOM 1736 CD1 ILE B 63 -1.341 12.919 3.658 1.00 0.00 C ATOM 0 H ILE B 63 1.678 12.013 3.799 1.00 0.00 H new ATOM 0 HA ILE B 63 0.439 9.931 5.426 1.00 0.00 H new ATOM 0 HB ILE B 63 -0.015 11.039 2.649 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -2.323 11.135 4.292 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -0.992 11.628 5.319 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.001 9.598 2.520 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.494 8.653 2.585 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -1.514 8.801 4.035 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -2.016 13.561 4.225 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -0.338 13.346 3.672 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -1.690 12.845 2.628 1.00 0.00 H new ATOM 1748 N GLN B 64 1.711 7.917 4.532 1.00 0.00 N ATOM 1749 CA GLN B 64 2.545 6.821 4.017 1.00 0.00 C ATOM 1750 C GLN B 64 2.020 5.413 4.322 1.00 0.00 C ATOM 1751 O GLN B 64 1.053 5.231 5.057 1.00 0.00 O ATOM 1752 CB GLN B 64 3.950 6.924 4.603 1.00 0.00 C ATOM 1753 CG GLN B 64 4.514 8.330 4.723 1.00 0.00 C ATOM 1754 CD GLN B 64 5.885 8.318 5.355 1.00 0.00 C ATOM 1755 OE1 GLN B 64 6.254 9.221 6.110 1.00 0.00 O ATOM 1756 NE2 GLN B 64 6.655 7.294 5.043 1.00 0.00 N ATOM 0 H GLN B 64 1.247 7.733 5.421 1.00 0.00 H new ATOM 0 HA GLN B 64 2.532 6.943 2.934 1.00 0.00 H new ATOM 0 HB2 GLN B 64 3.945 6.469 5.594 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.626 6.333 3.985 1.00 0.00 H new ATOM 0 HG2 GLN B 64 4.570 8.787 3.735 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.841 8.945 5.321 1.00 0.00 H new ATOM 0 HE21 GLN B 64 6.309 6.569 4.414 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.596 7.227 5.430 1.00 0.00 H new ATOM 1765 N LEU B 65 2.689 4.426 3.706 1.00 0.00 N ATOM 1766 CA LEU B 65 2.394 3.004 3.871 1.00 0.00 C ATOM 1767 C LEU B 65 3.687 2.212 4.144 1.00 0.00 C ATOM 1768 O LEU B 65 4.603 2.234 3.324 1.00 0.00 O ATOM 1769 CB LEU B 65 1.778 2.472 2.585 1.00 0.00 C ATOM 1770 CG LEU B 65 1.396 0.993 2.609 1.00 0.00 C ATOM 1771 CD1 LEU B 65 -0.036 0.806 3.074 1.00 0.00 C ATOM 1772 CD2 LEU B 65 1.612 0.363 1.245 1.00 0.00 C ATOM 0 H LEU B 65 3.465 4.603 3.068 1.00 0.00 H new ATOM 0 HA LEU B 65 1.709 2.886 4.711 1.00 0.00 H new ATOM 0 HB2 LEU B 65 0.887 3.057 2.359 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.482 2.636 1.769 1.00 0.00 H new ATOM 0 HG LEU B 65 2.045 0.487 3.324 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.280 -0.256 3.081 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.148 1.211 4.080 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.710 1.329 2.395 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.334 -0.690 1.283 1.00 0.00 H new ATOM 0 HD22 LEU B 65 0.995 0.875 0.506 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.662 0.452 0.965 1.00 0.00 H new ATOM 1784 N GLN B 66 3.783 1.528 5.286 1.00 0.00 N ATOM 1785 CA GLN B 66 4.967 0.727 5.577 1.00 0.00 C ATOM 1786 C GLN B 66 4.638 -0.759 5.393 1.00 0.00 C ATOM 1787 O GLN B 66 3.665 -1.265 5.945 1.00 0.00 O ATOM 1788 CB GLN B 66 5.521 0.998 6.986 1.00 0.00 C ATOM 1789 CG GLN B 66 4.865 0.208 8.108 1.00 0.00 C ATOM 1790 CD GLN B 66 5.814 -0.074 9.262 1.00 0.00 C ATOM 1791 OE1 GLN B 66 5.674 -1.073 9.964 1.00 0.00 O ATOM 1792 NE2 GLN B 66 6.784 0.802 9.466 1.00 0.00 N ATOM 0 H GLN B 66 3.066 1.514 6.012 1.00 0.00 H new ATOM 0 HA GLN B 66 5.750 1.014 4.875 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.589 0.779 6.986 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.414 2.061 7.202 1.00 0.00 H new ATOM 0 HG2 GLN B 66 4.002 0.761 8.480 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.492 -0.736 7.711 1.00 0.00 H new ATOM 0 HE21 GLN B 66 6.868 1.620 8.862 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.448 0.660 10.227 1.00 0.00 H new ATOM 1801 N LEU B 67 5.427 -1.444 4.586 1.00 0.00 N ATOM 1802 CA LEU B 67 5.214 -2.864 4.335 1.00 0.00 C ATOM 1803 C LEU B 67 6.036 -3.692 5.305 1.00 0.00 C ATOM 1804 O LEU B 67 7.193 -3.380 5.560 1.00 0.00 O ATOM 1805 CB LEU B 67 5.606 -3.222 2.900 1.00 0.00 C ATOM 1806 CG LEU B 67 4.694 -2.663 1.811 1.00 0.00 C ATOM 1807 CD1 LEU B 67 5.187 -3.096 0.441 1.00 0.00 C ATOM 1808 CD2 LEU B 67 3.260 -3.120 2.027 1.00 0.00 C ATOM 0 H LEU B 67 6.223 -1.043 4.091 1.00 0.00 H new ATOM 0 HA LEU B 67 4.155 -3.082 4.477 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.620 -2.865 2.719 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.629 -4.308 2.808 1.00 0.00 H new ATOM 0 HG LEU B 67 4.718 -1.575 1.864 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.528 -2.691 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.199 -2.724 0.284 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.187 -4.184 0.382 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.625 -2.711 1.241 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.217 -4.209 1.999 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.908 -2.768 2.997 1.00 0.00 H new ATOM 1820 N VAL B 68 5.427 -4.728 5.854 1.00 0.00 N ATOM 1821 CA VAL B 68 6.102 -5.609 6.792 1.00 0.00 C ATOM 1822 C VAL B 68 6.094 -7.033 6.254 1.00 0.00 C ATOM 1823 O VAL B 68 5.062 -7.711 6.270 1.00 0.00 O ATOM 1824 CB VAL B 68 5.419 -5.580 8.181 1.00 0.00 C ATOM 1825 CG1 VAL B 68 6.022 -6.619 9.119 1.00 0.00 C ATOM 1826 CG2 VAL B 68 5.506 -4.190 8.793 1.00 0.00 C ATOM 0 H VAL B 68 4.457 -4.982 5.664 1.00 0.00 H new ATOM 0 HA VAL B 68 7.128 -5.259 6.907 1.00 0.00 H new ATOM 0 HB VAL B 68 4.368 -5.831 8.039 1.00 0.00 H new ATOM 0 HG11 VAL B 68 5.520 -6.572 10.085 1.00 0.00 H new ATOM 0 HG12 VAL B 68 5.894 -7.613 8.691 1.00 0.00 H new ATOM 0 HG13 VAL B 68 7.085 -6.416 9.252 1.00 0.00 H new ATOM 0 HG21 VAL B 68 5.020 -4.191 9.769 1.00 0.00 H new ATOM 0 HG22 VAL B 68 6.553 -3.908 8.909 1.00 0.00 H new ATOM 0 HG23 VAL B 68 5.008 -3.473 8.140 1.00 0.00 H new ATOM 1836 N LEU B 69 7.232 -7.479 5.755 1.00 0.00 N ATOM 1837 CA LEU B 69 7.338 -8.819 5.211 1.00 0.00 C ATOM 1838 C LEU B 69 7.699 -9.794 6.317 1.00 0.00 C ATOM 1839 O LEU B 69 8.505 -9.476 7.190 1.00 0.00 O ATOM 1840 CB LEU B 69 8.377 -8.904 4.088 1.00 0.00 C ATOM 1841 CG LEU B 69 8.228 -7.882 2.958 1.00 0.00 C ATOM 1842 CD1 LEU B 69 8.733 -8.450 1.646 1.00 0.00 C ATOM 1843 CD2 LEU B 69 6.800 -7.426 2.793 1.00 0.00 C ATOM 0 H LEU B 69 8.093 -6.934 5.715 1.00 0.00 H new ATOM 0 HA LEU B 69 6.369 -9.079 4.785 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.368 -8.789 4.527 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.334 -9.904 3.655 1.00 0.00 H new ATOM 0 HG LEU B 69 8.832 -7.017 3.234 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.617 -7.705 0.858 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.786 -8.712 1.745 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.159 -9.341 1.391 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.741 -6.702 1.981 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.169 -8.284 2.561 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.457 -6.963 3.718 1.00 0.00 H new ATOM 1855 N HIS B 70 7.128 -10.987 6.267 1.00 0.00 N ATOM 1856 CA HIS B 70 7.403 -12.001 7.282 1.00 0.00 C ATOM 1857 C HIS B 70 8.764 -12.649 7.035 1.00 0.00 C ATOM 1858 O HIS B 70 9.140 -13.612 7.700 1.00 0.00 O ATOM 1859 CB HIS B 70 6.290 -13.064 7.317 1.00 0.00 C ATOM 1860 CG HIS B 70 5.834 -13.518 5.965 1.00 0.00 C ATOM 1861 ND1 HIS B 70 4.565 -13.324 5.466 1.00 0.00 N ATOM 1862 CD2 HIS B 70 6.516 -14.160 4.994 1.00 0.00 C ATOM 1863 CE1 HIS B 70 4.530 -13.841 4.232 1.00 0.00 C ATOM 1864 NE2 HIS B 70 5.687 -14.371 3.913 1.00 0.00 N ATOM 0 H HIS B 70 6.475 -11.279 5.540 1.00 0.00 H new ATOM 0 HA HIS B 70 7.427 -11.510 8.255 1.00 0.00 H new ATOM 0 HB2 HIS B 70 6.646 -13.928 7.878 1.00 0.00 H new ATOM 0 HB3 HIS B 70 5.435 -12.661 7.860 1.00 0.00 H new ATOM 0 HD1 HIS B 70 3.791 -12.868 5.950 1.00 0.00 H new ATOM 0 HD2 HIS B 70 7.551 -14.462 5.054 1.00 0.00 H new ATOM 0 HE1 HIS B 70 3.665 -13.824 3.585 1.00 0.00 H new ATOM 1872 N ALA B 71 9.489 -12.108 6.064 1.00 0.00 N ATOM 1873 CA ALA B 71 10.814 -12.595 5.723 1.00 0.00 C ATOM 1874 C ALA B 71 11.881 -11.731 6.387 1.00 0.00 C ATOM 1875 O ALA B 71 13.073 -12.010 6.286 1.00 0.00 O ATOM 1876 CB ALA B 71 11.001 -12.600 4.213 1.00 0.00 C ATOM 0 H ALA B 71 9.174 -11.323 5.494 1.00 0.00 H new ATOM 0 HA ALA B 71 10.916 -13.617 6.089 1.00 0.00 H new ATOM 0 HB1 ALA B 71 11.998 -12.967 3.971 1.00 0.00 H new ATOM 0 HB2 ALA B 71 10.254 -13.250 3.756 1.00 0.00 H new ATOM 0 HB3 ALA B 71 10.884 -11.587 3.829 1.00 0.00 H new ATOM 1882 N GLY B 72 11.437 -10.677 7.067 1.00 0.00 N ATOM 1883 CA GLY B 72 12.360 -9.783 7.738 1.00 0.00 C ATOM 1884 C GLY B 72 12.620 -8.517 6.948 1.00 0.00 C ATOM 1885 O GLY B 72 13.651 -7.870 7.123 1.00 0.00 O ATOM 0 H GLY B 72 10.453 -10.427 7.164 1.00 0.00 H new ATOM 0 HA2 GLY B 72 11.959 -9.520 8.717 1.00 0.00 H new ATOM 0 HA3 GLY B 72 13.304 -10.301 7.908 1.00 0.00 H new ATOM 1889 N ASP B 73 11.681 -8.158 6.083 1.00 0.00 N ATOM 1890 CA ASP B 73 11.812 -6.961 5.258 1.00 0.00 C ATOM 1891 C ASP B 73 10.702 -5.968 5.580 1.00 0.00 C ATOM 1892 O ASP B 73 9.585 -6.363 5.899 1.00 0.00 O ATOM 1893 CB ASP B 73 11.773 -7.325 3.769 1.00 0.00 C ATOM 1894 CG ASP B 73 11.680 -6.102 2.869 1.00 0.00 C ATOM 1895 OD1 ASP B 73 12.473 -5.158 3.068 1.00 0.00 O ATOM 1896 OD2 ASP B 73 10.805 -6.084 1.974 1.00 0.00 O ATOM 0 H ASP B 73 10.817 -8.679 5.933 1.00 0.00 H new ATOM 0 HA ASP B 73 12.774 -6.498 5.480 1.00 0.00 H new ATOM 0 HB2 ASP B 73 12.668 -7.892 3.514 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.919 -7.976 3.580 1.00 0.00 H new ATOM 1901 N THR B 74 11.017 -4.686 5.503 1.00 0.00 N ATOM 1902 CA THR B 74 10.056 -3.630 5.770 1.00 0.00 C ATOM 1903 C THR B 74 10.387 -2.405 4.925 1.00 0.00 C ATOM 1904 O THR B 74 11.536 -1.966 4.893 1.00 0.00 O ATOM 1905 CB THR B 74 10.059 -3.219 7.259 1.00 0.00 C ATOM 1906 OG1 THR B 74 11.407 -3.139 7.743 1.00 0.00 O ATOM 1907 CG2 THR B 74 9.268 -4.199 8.114 1.00 0.00 C ATOM 0 H THR B 74 11.947 -4.348 5.254 1.00 0.00 H new ATOM 0 HA THR B 74 9.068 -4.014 5.517 1.00 0.00 H new ATOM 0 HB THR B 74 9.581 -2.242 7.333 1.00 0.00 H new ATOM 0 HG1 THR B 74 11.989 -2.791 7.035 1.00 0.00 H new ATOM 0 HG21 THR B 74 9.293 -3.876 9.155 1.00 0.00 H new ATOM 0 HG22 THR B 74 8.235 -4.231 7.769 1.00 0.00 H new ATOM 0 HG23 THR B 74 9.709 -5.192 8.031 1.00 0.00 H new ATOM 1915 N THR B 75 9.395 -1.848 4.243 1.00 0.00 N ATOM 1916 CA THR B 75 9.635 -0.671 3.414 1.00 0.00 C ATOM 1917 C THR B 75 8.630 0.441 3.707 1.00 0.00 C ATOM 1918 O THR B 75 7.429 0.197 3.807 1.00 0.00 O ATOM 1919 CB THR B 75 9.591 -1.033 1.920 1.00 0.00 C ATOM 1920 OG1 THR B 75 10.359 -2.217 1.693 1.00 0.00 O ATOM 1921 CG2 THR B 75 10.142 0.100 1.066 1.00 0.00 C ATOM 0 H THR B 75 8.432 -2.184 4.245 1.00 0.00 H new ATOM 0 HA THR B 75 10.631 -0.304 3.662 1.00 0.00 H new ATOM 0 HB THR B 75 8.552 -1.203 1.638 1.00 0.00 H new ATOM 0 HG1 THR B 75 10.001 -2.696 0.917 1.00 0.00 H new ATOM 0 HG21 THR B 75 10.099 -0.183 0.014 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.546 0.998 1.225 1.00 0.00 H new ATOM 0 HG23 THR B 75 11.177 0.297 1.347 1.00 0.00 H new ATOM 1929 N ASN B 76 9.137 1.661 3.849 1.00 0.00 N ATOM 1930 CA ASN B 76 8.302 2.824 4.141 1.00 0.00 C ATOM 1931 C ASN B 76 8.001 3.603 2.868 1.00 0.00 C ATOM 1932 O ASN B 76 8.860 4.316 2.357 1.00 0.00 O ATOM 1933 CB ASN B 76 9.009 3.743 5.138 1.00 0.00 C ATOM 1934 CG ASN B 76 9.511 2.998 6.355 1.00 0.00 C ATOM 1935 OD1 ASN B 76 10.584 2.403 6.333 1.00 0.00 O ATOM 1936 ND2 ASN B 76 8.744 3.037 7.426 1.00 0.00 N ATOM 0 H ASN B 76 10.131 1.872 3.766 1.00 0.00 H new ATOM 0 HA ASN B 76 7.365 2.469 4.571 1.00 0.00 H new ATOM 0 HB2 ASN B 76 9.848 4.233 4.644 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.322 4.528 5.454 1.00 0.00 H new ATOM 0 HD21 ASN B 76 9.035 2.561 8.280 1.00 0.00 H new ATOM 0 HD22 ASN B 76 7.859 3.543 7.401 1.00 0.00 H new ATOM 1943 N PHE B 77 6.785 3.474 2.363 1.00 0.00 N ATOM 1944 CA PHE B 77 6.390 4.172 1.149 1.00 0.00 C ATOM 1945 C PHE B 77 5.656 5.468 1.475 1.00 0.00 C ATOM 1946 O PHE B 77 4.507 5.452 1.912 1.00 0.00 O ATOM 1947 CB PHE B 77 5.508 3.275 0.277 1.00 0.00 C ATOM 1948 CG PHE B 77 6.268 2.181 -0.417 1.00 0.00 C ATOM 1949 CD1 PHE B 77 7.467 2.451 -1.056 1.00 0.00 C ATOM 1950 CD2 PHE B 77 5.784 0.882 -0.431 1.00 0.00 C ATOM 1951 CE1 PHE B 77 8.170 1.449 -1.695 1.00 0.00 C ATOM 1952 CE2 PHE B 77 6.483 -0.124 -1.069 1.00 0.00 C ATOM 1953 CZ PHE B 77 7.677 0.160 -1.701 1.00 0.00 C ATOM 0 H PHE B 77 6.054 2.893 2.774 1.00 0.00 H new ATOM 0 HA PHE B 77 7.297 4.421 0.597 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.731 2.829 0.898 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.006 3.889 -0.471 1.00 0.00 H new ATOM 0 HD1 PHE B 77 7.857 3.458 -1.054 1.00 0.00 H new ATOM 0 HD2 PHE B 77 4.851 0.654 0.062 1.00 0.00 H new ATOM 0 HE1 PHE B 77 9.104 1.674 -2.189 1.00 0.00 H new ATOM 0 HE2 PHE B 77 6.096 -1.132 -1.073 1.00 0.00 H new ATOM 0 HZ PHE B 77 8.225 -0.626 -2.200 1.00 0.00 H new ATOM 1963 N HIS B 78 6.338 6.582 1.271 1.00 0.00 N ATOM 1964 CA HIS B 78 5.789 7.903 1.516 1.00 0.00 C ATOM 1965 C HIS B 78 5.065 8.400 0.267 1.00 0.00 C ATOM 1966 O HIS B 78 5.666 8.559 -0.796 1.00 0.00 O ATOM 1967 CB HIS B 78 6.950 8.826 1.935 1.00 0.00 C ATOM 1968 CG HIS B 78 6.824 10.291 1.609 1.00 0.00 C ATOM 1969 ND1 HIS B 78 7.918 11.111 1.435 1.00 0.00 N ATOM 1970 CD2 HIS B 78 5.735 11.085 1.434 1.00 0.00 C ATOM 1971 CE1 HIS B 78 7.473 12.343 1.165 1.00 0.00 C ATOM 1972 NE2 HIS B 78 6.155 12.382 1.153 1.00 0.00 N ATOM 0 H HIS B 78 7.298 6.594 0.927 1.00 0.00 H new ATOM 0 HA HIS B 78 5.051 7.887 2.318 1.00 0.00 H new ATOM 0 HB2 HIS B 78 7.083 8.731 3.013 1.00 0.00 H new ATOM 0 HB3 HIS B 78 7.861 8.454 1.467 1.00 0.00 H new ATOM 0 HD2 HIS B 78 4.707 10.761 1.502 1.00 0.00 H new ATOM 0 HE1 HIS B 78 8.110 13.195 0.981 1.00 0.00 H new ATOM 0 HE2 HIS B 78 5.565 13.195 0.975 1.00 0.00 H new ATOM 1980 N PHE B 79 3.768 8.631 0.399 1.00 0.00 N ATOM 1981 CA PHE B 79 2.964 9.110 -0.712 1.00 0.00 C ATOM 1982 C PHE B 79 3.074 10.623 -0.816 1.00 0.00 C ATOM 1983 O PHE B 79 2.320 11.358 -0.181 1.00 0.00 O ATOM 1984 CB PHE B 79 1.503 8.690 -0.537 1.00 0.00 C ATOM 1985 CG PHE B 79 1.300 7.201 -0.558 1.00 0.00 C ATOM 1986 CD1 PHE B 79 1.220 6.516 -1.759 1.00 0.00 C ATOM 1987 CD2 PHE B 79 1.195 6.486 0.623 1.00 0.00 C ATOM 1988 CE1 PHE B 79 1.039 5.146 -1.781 1.00 0.00 C ATOM 1989 CE2 PHE B 79 1.013 5.116 0.606 1.00 0.00 C ATOM 1990 CZ PHE B 79 0.935 4.444 -0.597 1.00 0.00 C ATOM 0 H PHE B 79 3.250 8.494 1.267 1.00 0.00 H new ATOM 0 HA PHE B 79 3.338 8.665 -1.634 1.00 0.00 H new ATOM 0 HB2 PHE B 79 1.130 9.086 0.408 1.00 0.00 H new ATOM 0 HB3 PHE B 79 0.906 9.141 -1.330 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.300 7.059 -2.689 1.00 0.00 H new ATOM 0 HD2 PHE B 79 1.256 7.005 1.568 1.00 0.00 H new ATOM 0 HE1 PHE B 79 0.979 4.625 -2.725 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.932 4.571 1.535 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.793 3.373 -0.612 1.00 0.00 H new ATOM 2000 N SER B 80 4.029 11.080 -1.612 1.00 0.00 N ATOM 2001 CA SER B 80 4.256 12.505 -1.795 1.00 0.00 C ATOM 2002 C SER B 80 3.424 13.042 -2.952 1.00 0.00 C ATOM 2003 O SER B 80 3.690 14.123 -3.478 1.00 0.00 O ATOM 2004 CB SER B 80 5.742 12.774 -2.041 1.00 0.00 C ATOM 2005 OG SER B 80 6.242 11.990 -3.116 1.00 0.00 O ATOM 0 H SER B 80 4.661 10.482 -2.143 1.00 0.00 H new ATOM 0 HA SER B 80 3.948 13.021 -0.886 1.00 0.00 H new ATOM 0 HB2 SER B 80 5.890 13.831 -2.261 1.00 0.00 H new ATOM 0 HB3 SER B 80 6.307 12.554 -1.135 1.00 0.00 H new ATOM 0 HG SER B 80 5.519 11.441 -3.484 1.00 0.00 H new ATOM 2011 N ASN B 81 2.424 12.277 -3.350 1.00 0.00 N ATOM 2012 CA ASN B 81 1.554 12.678 -4.438 1.00 0.00 C ATOM 2013 C ASN B 81 0.403 13.500 -3.886 1.00 0.00 C ATOM 2014 O ASN B 81 -0.625 12.961 -3.501 1.00 0.00 O ATOM 2015 CB ASN B 81 1.025 11.449 -5.182 1.00 0.00 C ATOM 2016 CG ASN B 81 0.271 11.812 -6.447 1.00 0.00 C ATOM 2017 OD1 ASN B 81 0.584 12.802 -7.109 1.00 0.00 O ATOM 2018 ND2 ASN B 81 -0.723 11.016 -6.791 1.00 0.00 N ATOM 0 H ASN B 81 2.195 11.374 -2.935 1.00 0.00 H new ATOM 0 HA ASN B 81 2.121 13.284 -5.145 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.860 10.796 -5.436 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.368 10.884 -4.521 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -1.264 11.211 -7.633 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -0.950 10.206 -6.215 1.00 0.00 H new ATOM 2025 N GLU B 82 0.597 14.811 -3.851 1.00 0.00 N ATOM 2026 CA GLU B 82 -0.403 15.752 -3.337 1.00 0.00 C ATOM 2027 C GLU B 82 -1.798 15.469 -3.897 1.00 0.00 C ATOM 2028 O GLU B 82 -2.801 15.562 -3.184 1.00 0.00 O ATOM 2029 CB GLU B 82 -0.012 17.200 -3.680 1.00 0.00 C ATOM 2030 CG GLU B 82 1.325 17.350 -4.405 1.00 0.00 C ATOM 2031 CD GLU B 82 1.314 16.804 -5.826 1.00 0.00 C ATOM 2032 OE1 GLU B 82 0.221 16.539 -6.370 1.00 0.00 O ATOM 2033 OE2 GLU B 82 2.405 16.602 -6.393 1.00 0.00 O ATOM 0 H GLU B 82 1.453 15.259 -4.178 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.431 15.620 -2.255 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.796 17.636 -4.300 1.00 0.00 H new ATOM 0 HB3 GLU B 82 0.024 17.780 -2.758 1.00 0.00 H new ATOM 0 HG2 GLU B 82 1.597 18.405 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU B 82 2.098 16.836 -3.834 1.00 0.00 H new ATOM 2040 N SER B 83 -1.835 15.111 -5.170 1.00 0.00 N ATOM 2041 CA SER B 83 -3.072 14.826 -5.876 1.00 0.00 C ATOM 2042 C SER B 83 -3.959 13.798 -5.153 1.00 0.00 C ATOM 2043 O SER B 83 -5.113 14.093 -4.815 1.00 0.00 O ATOM 2044 CB SER B 83 -2.737 14.336 -7.286 1.00 0.00 C ATOM 2045 OG SER B 83 -1.539 14.935 -7.765 1.00 0.00 O ATOM 0 H SER B 83 -1.000 15.009 -5.747 1.00 0.00 H new ATOM 0 HA SER B 83 -3.648 15.750 -5.916 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.628 13.251 -7.281 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.560 14.571 -7.961 1.00 0.00 H new ATOM 0 HG SER B 83 -0.792 14.312 -7.647 1.00 0.00 H new ATOM 2051 N THR B 84 -3.439 12.603 -4.896 1.00 0.00 N ATOM 2052 CA THR B 84 -4.246 11.568 -4.258 1.00 0.00 C ATOM 2053 C THR B 84 -3.540 10.837 -3.111 1.00 0.00 C ATOM 2054 O THR B 84 -3.958 9.746 -2.756 1.00 0.00 O ATOM 2055 CB THR B 84 -4.693 10.533 -5.310 1.00 0.00 C ATOM 2056 OG1 THR B 84 -3.713 10.455 -6.350 1.00 0.00 O ATOM 2057 CG2 THR B 84 -6.042 10.905 -5.908 1.00 0.00 C ATOM 0 H THR B 84 -2.481 12.329 -5.114 1.00 0.00 H new ATOM 0 HA THR B 84 -5.100 12.086 -3.821 1.00 0.00 H new ATOM 0 HB THR B 84 -4.792 9.565 -4.818 1.00 0.00 H new ATOM 0 HG1 THR B 84 -2.843 10.223 -5.963 1.00 0.00 H new ATOM 0 HG21 THR B 84 -6.331 10.157 -6.646 1.00 0.00 H new ATOM 0 HG22 THR B 84 -6.792 10.944 -5.118 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.970 11.881 -6.389 1.00 0.00 H new ATOM 2065 N ALA B 85 -2.523 11.456 -2.511 1.00 0.00 N ATOM 2066 CA ALA B 85 -1.744 10.852 -1.408 1.00 0.00 C ATOM 2067 C ALA B 85 -2.588 10.020 -0.438 1.00 0.00 C ATOM 2068 O ALA B 85 -2.404 8.807 -0.324 1.00 0.00 O ATOM 2069 CB ALA B 85 -1.007 11.934 -0.634 1.00 0.00 C ATOM 0 H ALA B 85 -2.209 12.391 -2.770 1.00 0.00 H new ATOM 0 HA ALA B 85 -1.039 10.167 -1.879 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -0.437 11.478 0.175 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -0.328 12.462 -1.304 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -1.727 12.639 -0.218 1.00 0.00 H new ATOM 2075 N VAL B 86 -3.506 10.679 0.260 1.00 0.00 N ATOM 2076 CA VAL B 86 -4.373 10.010 1.231 1.00 0.00 C ATOM 2077 C VAL B 86 -5.176 8.881 0.584 1.00 0.00 C ATOM 2078 O VAL B 86 -5.240 7.765 1.104 1.00 0.00 O ATOM 2079 CB VAL B 86 -5.357 11.009 1.876 1.00 0.00 C ATOM 2080 CG1 VAL B 86 -6.055 10.382 3.071 1.00 0.00 C ATOM 2081 CG2 VAL B 86 -4.644 12.291 2.280 1.00 0.00 C ATOM 0 H VAL B 86 -3.672 11.682 0.173 1.00 0.00 H new ATOM 0 HA VAL B 86 -3.720 9.591 1.997 1.00 0.00 H new ATOM 0 HB VAL B 86 -6.114 11.263 1.134 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -6.744 11.104 3.510 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -6.610 9.501 2.747 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -5.313 10.090 3.814 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -5.359 12.978 2.732 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -3.859 12.059 3.000 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -4.202 12.755 1.398 1.00 0.00 H new ATOM 2091 N LYS B 87 -5.758 9.180 -0.569 1.00 0.00 N ATOM 2092 CA LYS B 87 -6.577 8.222 -1.300 1.00 0.00 C ATOM 2093 C LYS B 87 -5.752 7.011 -1.736 1.00 0.00 C ATOM 2094 O LYS B 87 -6.182 5.870 -1.576 1.00 0.00 O ATOM 2095 CB LYS B 87 -7.215 8.899 -2.521 1.00 0.00 C ATOM 2096 CG LYS B 87 -7.968 10.188 -2.202 1.00 0.00 C ATOM 2097 CD LYS B 87 -7.119 11.425 -2.477 1.00 0.00 C ATOM 2098 CE LYS B 87 -7.976 12.667 -2.689 1.00 0.00 C ATOM 2099 NZ LYS B 87 -7.158 13.870 -3.025 1.00 0.00 N ATOM 0 H LYS B 87 -5.677 10.090 -1.023 1.00 0.00 H new ATOM 0 HA LYS B 87 -7.365 7.870 -0.635 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.434 9.119 -3.249 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.903 8.197 -2.993 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.879 10.233 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -8.272 10.181 -1.155 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.439 11.592 -1.642 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -6.503 11.254 -3.360 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -8.690 12.480 -3.491 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -8.555 12.865 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.787 14.677 -3.210 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.530 14.096 -2.228 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -6.586 13.676 -3.872 1.00 0.00 H new ATOM 2113 N GLU B 88 -4.565 7.268 -2.272 1.00 0.00 N ATOM 2114 CA GLU B 88 -3.677 6.209 -2.730 1.00 0.00 C ATOM 2115 C GLU B 88 -3.241 5.330 -1.566 1.00 0.00 C ATOM 2116 O GLU B 88 -3.212 4.110 -1.686 1.00 0.00 O ATOM 2117 CB GLU B 88 -2.453 6.801 -3.440 1.00 0.00 C ATOM 2118 CG GLU B 88 -2.703 7.142 -4.904 1.00 0.00 C ATOM 2119 CD GLU B 88 -1.705 8.142 -5.463 1.00 0.00 C ATOM 2120 OE1 GLU B 88 -1.736 9.313 -5.032 1.00 0.00 O ATOM 2121 OE2 GLU B 88 -0.907 7.773 -6.349 1.00 0.00 O ATOM 0 H GLU B 88 -4.194 8.209 -2.400 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.225 5.591 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.139 7.703 -2.914 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -1.628 6.091 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.662 6.228 -5.496 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.710 7.545 -5.010 1.00 0.00 H new ATOM 2128 N ARG B 89 -2.930 5.954 -0.431 1.00 0.00 N ATOM 2129 CA ARG B 89 -2.493 5.221 0.758 1.00 0.00 C ATOM 2130 C ARG B 89 -3.484 4.127 1.140 1.00 0.00 C ATOM 2131 O ARG B 89 -3.117 2.958 1.273 1.00 0.00 O ATOM 2132 CB ARG B 89 -2.317 6.166 1.950 1.00 0.00 C ATOM 2133 CG ARG B 89 -1.969 5.440 3.246 1.00 0.00 C ATOM 2134 CD ARG B 89 -2.227 6.301 4.473 1.00 0.00 C ATOM 2135 NE ARG B 89 -3.653 6.549 4.691 1.00 0.00 N ATOM 2136 CZ ARG B 89 -4.141 7.658 5.245 1.00 0.00 C ATOM 2137 NH1 ARG B 89 -3.324 8.620 5.655 1.00 0.00 N ATOM 2138 NH2 ARG B 89 -5.449 7.795 5.402 1.00 0.00 N ATOM 0 H ARG B 89 -2.972 6.966 -0.309 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.536 4.761 0.509 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -1.531 6.886 1.722 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -3.236 6.733 2.094 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -2.556 4.524 3.317 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.920 5.145 3.225 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -1.808 5.811 5.352 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -1.708 7.253 4.361 1.00 0.00 H new ATOM 0 HE ARG B 89 -4.314 5.828 4.401 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -2.315 8.513 5.547 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -3.705 9.466 6.078 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -6.080 7.053 5.099 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -5.826 8.643 5.826 1.00 0.00 H new ATOM 2152 N ASP B 90 -4.740 4.507 1.308 1.00 0.00 N ATOM 2153 CA ASP B 90 -5.765 3.555 1.707 1.00 0.00 C ATOM 2154 C ASP B 90 -6.190 2.634 0.575 1.00 0.00 C ATOM 2155 O ASP B 90 -6.593 1.500 0.830 1.00 0.00 O ATOM 2156 CB ASP B 90 -6.972 4.270 2.306 1.00 0.00 C ATOM 2157 CG ASP B 90 -6.830 4.421 3.805 1.00 0.00 C ATOM 2158 OD1 ASP B 90 -7.121 3.439 4.523 1.00 0.00 O ATOM 2159 OD2 ASP B 90 -6.396 5.497 4.263 1.00 0.00 O ATOM 0 H ASP B 90 -5.074 5.462 1.175 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.317 2.922 2.473 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -7.080 5.253 1.847 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.879 3.710 2.079 1.00 0.00 H new ATOM 2164 N ALA B 91 -6.063 3.086 -0.666 1.00 0.00 N ATOM 2165 CA ALA B 91 -6.443 2.259 -1.802 1.00 0.00 C ATOM 2166 C ALA B 91 -5.432 1.144 -1.940 1.00 0.00 C ATOM 2167 O ALA B 91 -5.776 -0.009 -2.200 1.00 0.00 O ATOM 2168 CB ALA B 91 -6.524 3.077 -3.080 1.00 0.00 C ATOM 0 H ALA B 91 -5.704 4.009 -0.909 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.435 1.842 -1.630 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.810 2.430 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.268 3.865 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.552 3.524 -3.288 1.00 0.00 H new ATOM 2174 N VAL B 92 -4.174 1.510 -1.746 1.00 0.00 N ATOM 2175 CA VAL B 92 -3.087 0.561 -1.795 1.00 0.00 C ATOM 2176 C VAL B 92 -3.231 -0.403 -0.628 1.00 0.00 C ATOM 2177 O VAL B 92 -3.069 -1.609 -0.786 1.00 0.00 O ATOM 2178 CB VAL B 92 -1.719 1.274 -1.727 1.00 0.00 C ATOM 2179 CG1 VAL B 92 -0.606 0.284 -1.466 1.00 0.00 C ATOM 2180 CG2 VAL B 92 -1.447 2.043 -3.006 1.00 0.00 C ATOM 0 H VAL B 92 -3.885 2.469 -1.552 1.00 0.00 H new ATOM 0 HA VAL B 92 -3.130 0.019 -2.740 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.753 1.981 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.347 0.811 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.784 -0.222 -0.517 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.577 -0.452 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -0.478 2.537 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.442 1.354 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -2.226 2.791 -3.153 1.00 0.00 H new ATOM 2190 N LYS B 93 -3.562 0.151 0.540 1.00 0.00 N ATOM 2191 CA LYS B 93 -3.762 -0.642 1.746 1.00 0.00 C ATOM 2192 C LYS B 93 -4.778 -1.737 1.498 1.00 0.00 C ATOM 2193 O LYS B 93 -4.498 -2.916 1.688 1.00 0.00 O ATOM 2194 CB LYS B 93 -4.276 0.223 2.896 1.00 0.00 C ATOM 2195 CG LYS B 93 -4.547 -0.589 4.151 1.00 0.00 C ATOM 2196 CD LYS B 93 -5.616 0.026 5.048 1.00 0.00 C ATOM 2197 CE LYS B 93 -7.020 -0.151 4.488 1.00 0.00 C ATOM 2198 NZ LYS B 93 -7.426 0.973 3.603 1.00 0.00 N ATOM 0 H LYS B 93 -3.697 1.153 0.672 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.796 -1.072 2.011 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.544 0.999 3.119 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.192 0.727 2.587 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -4.857 -1.594 3.865 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -3.621 -0.690 4.717 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -5.563 -0.430 6.036 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.411 1.089 5.176 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.070 -1.085 3.929 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -7.729 -0.235 5.312 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.436 0.885 3.371 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -7.261 1.876 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -6.866 0.945 2.727 1.00 0.00 H new ATOM 2212 N ASP B 94 -5.963 -1.314 1.087 1.00 0.00 N ATOM 2213 CA ASP B 94 -7.062 -2.228 0.810 1.00 0.00 C ATOM 2214 C ASP B 94 -6.666 -3.274 -0.210 1.00 0.00 C ATOM 2215 O ASP B 94 -6.762 -4.465 0.061 1.00 0.00 O ATOM 2216 CB ASP B 94 -8.297 -1.464 0.328 1.00 0.00 C ATOM 2217 CG ASP B 94 -9.212 -1.075 1.470 1.00 0.00 C ATOM 2218 OD1 ASP B 94 -9.971 -1.944 1.939 1.00 0.00 O ATOM 2219 OD2 ASP B 94 -9.161 0.095 1.907 1.00 0.00 O ATOM 0 H ASP B 94 -6.191 -0.331 0.936 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.306 -2.737 1.742 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -7.982 -0.567 -0.204 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -8.848 -2.079 -0.383 1.00 0.00 H new ATOM 2224 N LEU B 95 -6.196 -2.833 -1.370 1.00 0.00 N ATOM 2225 CA LEU B 95 -5.794 -3.757 -2.422 1.00 0.00 C ATOM 2226 C LEU B 95 -4.757 -4.750 -1.902 1.00 0.00 C ATOM 2227 O LEU B 95 -4.868 -5.952 -2.132 1.00 0.00 O ATOM 2228 CB LEU B 95 -5.237 -2.999 -3.629 1.00 0.00 C ATOM 2229 CG LEU B 95 -5.324 -3.757 -4.956 1.00 0.00 C ATOM 2230 CD1 LEU B 95 -6.775 -3.965 -5.362 1.00 0.00 C ATOM 2231 CD2 LEU B 95 -4.566 -3.017 -6.046 1.00 0.00 C ATOM 0 H LEU B 95 -6.084 -1.847 -1.605 1.00 0.00 H new ATOM 0 HA LEU B 95 -6.679 -4.310 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.775 -2.056 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.193 -2.751 -3.435 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.863 -4.735 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.814 -4.506 -6.308 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.289 -4.542 -4.593 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.263 -2.997 -5.477 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.640 -3.572 -6.981 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.996 -2.024 -6.178 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.518 -2.924 -5.761 1.00 0.00 H new ATOM 2243 N LEU B 96 -3.778 -4.244 -1.165 1.00 0.00 N ATOM 2244 CA LEU B 96 -2.727 -5.083 -0.617 1.00 0.00 C ATOM 2245 C LEU B 96 -3.267 -6.061 0.417 1.00 0.00 C ATOM 2246 O LEU B 96 -3.132 -7.265 0.248 1.00 0.00 O ATOM 2247 CB LEU B 96 -1.625 -4.229 0.008 1.00 0.00 C ATOM 2248 CG LEU B 96 -0.491 -3.839 -0.936 1.00 0.00 C ATOM 2249 CD1 LEU B 96 0.444 -2.856 -0.254 1.00 0.00 C ATOM 2250 CD2 LEU B 96 0.276 -5.072 -1.386 1.00 0.00 C ATOM 0 H LEU B 96 -3.692 -3.254 -0.934 1.00 0.00 H new ATOM 0 HA LEU B 96 -2.311 -5.658 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.074 -3.319 0.406 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -1.202 -4.772 0.853 1.00 0.00 H new ATOM 0 HG LEU B 96 -0.921 -3.361 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.249 -2.585 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.111 -1.961 0.026 1.00 0.00 H new ATOM 0 HD13 LEU B 96 0.866 -3.316 0.640 1.00 0.00 H new ATOM 0 HD21 LEU B 96 1.081 -4.775 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU B 96 0.698 -5.576 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.400 -5.751 -1.906 1.00 0.00 H new ATOM 2262 N GLN B 97 -3.910 -5.549 1.462 1.00 0.00 N ATOM 2263 CA GLN B 97 -4.425 -6.407 2.525 1.00 0.00 C ATOM 2264 C GLN B 97 -5.471 -7.385 2.013 1.00 0.00 C ATOM 2265 O GLN B 97 -5.574 -8.487 2.531 1.00 0.00 O ATOM 2266 CB GLN B 97 -4.953 -5.590 3.716 1.00 0.00 C ATOM 2267 CG GLN B 97 -6.296 -4.908 3.505 1.00 0.00 C ATOM 2268 CD GLN B 97 -6.831 -4.277 4.780 1.00 0.00 C ATOM 2269 OE1 GLN B 97 -6.479 -4.849 5.926 1.00 0.00 O flip ATOM 2270 NE2 GLN B 97 -7.542 -3.276 4.735 1.00 0.00 N flip ATOM 0 H GLN B 97 -4.086 -4.553 1.596 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.583 -6.998 2.885 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -5.034 -6.251 4.579 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.215 -4.828 3.966 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.194 -4.140 2.738 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -7.016 -5.637 3.133 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.790 -2.867 3.834 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.884 -2.854 5.598 1.00 0.00 H new ATOM 2279 N GLN B 98 -6.218 -7.005 0.988 1.00 0.00 N ATOM 2280 CA GLN B 98 -7.238 -7.884 0.434 1.00 0.00 C ATOM 2281 C GLN B 98 -6.614 -9.001 -0.397 1.00 0.00 C ATOM 2282 O GLN B 98 -7.024 -10.156 -0.302 1.00 0.00 O ATOM 2283 CB GLN B 98 -8.230 -7.097 -0.427 1.00 0.00 C ATOM 2284 CG GLN B 98 -9.203 -6.253 0.378 1.00 0.00 C ATOM 2285 CD GLN B 98 -10.069 -5.363 -0.491 1.00 0.00 C ATOM 2286 OE1 GLN B 98 -10.413 -5.720 -1.617 1.00 0.00 O ATOM 2287 NE2 GLN B 98 -10.424 -4.193 0.021 1.00 0.00 N ATOM 0 H GLN B 98 -6.139 -6.100 0.525 1.00 0.00 H new ATOM 0 HA GLN B 98 -7.772 -8.330 1.274 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.674 -6.448 -1.104 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.794 -7.795 -1.045 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.842 -6.909 0.969 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -8.645 -5.634 1.081 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -10.119 -3.933 0.959 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.003 -3.553 -0.523 1.00 0.00 H new ATOM 2296 N LEU B 99 -5.611 -8.662 -1.198 1.00 0.00 N ATOM 2297 CA LEU B 99 -4.963 -9.641 -2.068 1.00 0.00 C ATOM 2298 C LEU B 99 -3.891 -10.451 -1.342 1.00 0.00 C ATOM 2299 O LEU B 99 -3.668 -11.615 -1.669 1.00 0.00 O ATOM 2300 CB LEU B 99 -4.354 -8.945 -3.279 1.00 0.00 C ATOM 2301 CG LEU B 99 -5.369 -8.236 -4.168 1.00 0.00 C ATOM 2302 CD1 LEU B 99 -4.679 -7.218 -5.064 1.00 0.00 C ATOM 2303 CD2 LEU B 99 -6.148 -9.244 -4.996 1.00 0.00 C ATOM 0 H LEU B 99 -5.228 -7.719 -1.265 1.00 0.00 H new ATOM 0 HA LEU B 99 -5.734 -10.340 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -3.619 -8.218 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -3.817 -9.682 -3.876 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.073 -7.703 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.421 -6.723 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.171 -6.476 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.950 -7.725 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.868 -8.720 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.459 -9.808 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.676 -9.929 -4.333 1.00 0.00 H new ATOM 2315 N LEU B 100 -3.243 -9.828 -0.361 1.00 0.00 N ATOM 2316 CA LEU B 100 -2.173 -10.459 0.421 1.00 0.00 C ATOM 2317 C LEU B 100 -2.417 -11.918 0.796 1.00 0.00 C ATOM 2318 O LEU B 100 -1.642 -12.788 0.404 1.00 0.00 O ATOM 2319 CB LEU B 100 -1.864 -9.656 1.691 1.00 0.00 C ATOM 2320 CG LEU B 100 -0.764 -8.626 1.516 1.00 0.00 C ATOM 2321 CD1 LEU B 100 -0.435 -7.930 2.831 1.00 0.00 C ATOM 2322 CD2 LEU B 100 0.449 -9.332 0.966 1.00 0.00 C ATOM 0 H LEU B 100 -3.443 -8.868 -0.082 1.00 0.00 H new ATOM 0 HA LEU B 100 -1.316 -10.456 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.772 -9.151 2.019 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.579 -10.346 2.485 1.00 0.00 H new ATOM 0 HG LEU B 100 -1.096 -7.850 0.826 1.00 0.00 H new ATOM 0 HD11 LEU B 100 0.357 -7.199 2.668 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.324 -7.424 3.207 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -0.102 -8.669 3.560 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.257 -8.614 0.830 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.766 -10.107 1.663 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.202 -9.786 0.006 1.00 0.00 H new ATOM 2334 N PRO B 101 -3.497 -12.228 1.526 1.00 0.00 N ATOM 2335 CA PRO B 101 -3.763 -13.594 1.986 1.00 0.00 C ATOM 2336 C PRO B 101 -4.008 -14.600 0.862 1.00 0.00 C ATOM 2337 O PRO B 101 -4.071 -15.800 1.113 1.00 0.00 O ATOM 2338 CB PRO B 101 -5.005 -13.446 2.859 1.00 0.00 C ATOM 2339 CG PRO B 101 -5.133 -11.991 3.136 1.00 0.00 C ATOM 2340 CD PRO B 101 -4.556 -11.302 1.947 1.00 0.00 C ATOM 0 HA PRO B 101 -2.896 -13.999 2.508 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.890 -13.826 2.348 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -4.903 -14.013 3.784 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -6.176 -11.711 3.283 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -4.598 -11.717 4.045 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -5.299 -11.153 1.164 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.159 -10.319 2.201 1.00 0.00 H new ATOM 2348 N LYS B 102 -4.152 -14.121 -0.365 1.00 0.00 N ATOM 2349 CA LYS B 102 -4.365 -15.014 -1.498 1.00 0.00 C ATOM 2350 C LYS B 102 -3.030 -15.524 -2.018 1.00 0.00 C ATOM 2351 O LYS B 102 -2.975 -16.420 -2.856 1.00 0.00 O ATOM 2352 CB LYS B 102 -5.121 -14.305 -2.620 1.00 0.00 C ATOM 2353 CG LYS B 102 -6.532 -14.832 -2.829 1.00 0.00 C ATOM 2354 CD LYS B 102 -7.473 -14.374 -1.726 1.00 0.00 C ATOM 2355 CE LYS B 102 -7.549 -12.858 -1.658 1.00 0.00 C ATOM 2356 NZ LYS B 102 -8.475 -12.391 -0.596 1.00 0.00 N ATOM 0 H LYS B 102 -4.126 -13.129 -0.602 1.00 0.00 H new ATOM 0 HA LYS B 102 -4.966 -15.857 -1.157 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -5.169 -13.239 -2.398 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.561 -14.412 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.909 -14.491 -3.793 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.512 -15.921 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -8.468 -14.782 -1.901 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -7.132 -14.766 -0.768 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -6.554 -12.454 -1.474 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -7.878 -12.469 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -8.243 -11.410 -0.340 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.454 -12.436 -0.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.378 -13.000 0.242 1.00 0.00 H new ATOM 2370 N PHE B 103 -1.955 -14.932 -1.514 1.00 0.00 N ATOM 2371 CA PHE B 103 -0.609 -15.309 -1.923 1.00 0.00 C ATOM 2372 C PHE B 103 0.247 -15.664 -0.714 1.00 0.00 C ATOM 2373 O PHE B 103 1.141 -16.505 -0.806 1.00 0.00 O ATOM 2374 CB PHE B 103 0.046 -14.170 -2.709 1.00 0.00 C ATOM 2375 CG PHE B 103 -0.671 -13.821 -3.985 1.00 0.00 C ATOM 2376 CD1 PHE B 103 -0.421 -14.528 -5.151 1.00 0.00 C ATOM 2377 CD2 PHE B 103 -1.594 -12.787 -4.018 1.00 0.00 C ATOM 2378 CE1 PHE B 103 -1.079 -14.209 -6.325 1.00 0.00 C ATOM 2379 CE2 PHE B 103 -2.254 -12.465 -5.187 1.00 0.00 C ATOM 2380 CZ PHE B 103 -1.996 -13.176 -6.342 1.00 0.00 C ATOM 0 H PHE B 103 -1.990 -14.186 -0.819 1.00 0.00 H new ATOM 0 HA PHE B 103 -0.684 -16.188 -2.564 1.00 0.00 H new ATOM 0 HB2 PHE B 103 0.093 -13.284 -2.076 1.00 0.00 H new ATOM 0 HB3 PHE B 103 1.073 -14.448 -2.945 1.00 0.00 H new ATOM 0 HD1 PHE B 103 0.295 -15.336 -5.143 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.799 -12.226 -3.118 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -0.876 -14.767 -7.227 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -2.971 -11.658 -5.198 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.511 -12.925 -7.258 1.00 0.00 H new