USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 538 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 Single : A 7 THR OG1 : rot 3:sc= 0.807 USER MOD Single : A 9 CYS SG : rot 33:sc= 0.109 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 14 ASN : amide:sc= -4.8! C(o=-4.8!,f=-5!) USER MOD Single : A 32 ASN : amide:sc= -0.543 K(o=-0.54,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 160:sc= -0.654 USER MOD Single : A 41 GLN : amide:sc= -16.7! C(o=-17!,f=-15!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= -0.0114 (180deg=-0.383) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 47:sc= 0.0889 USER MOD Single : A 90 ASN : amide:sc= -0.334 K(o=-0.33,f=-2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.194 USER MOD Single : A 93 THR OG1 : rot -132:sc= -1.1 USER MOD Single : A 96 GLN : amide:sc= -0.482 K(o=-0.48,f=-1.4) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.287 X(o=-0.29,f=0) USER MOD Single : A 102 THR OG1 : rot -84:sc= 0.521 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0401) USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.323 USER MOD Single : A 114 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.417) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 17.292 1.614 12.753 1.00 0.00 N ATOM 91 CA THR A 7 16.754 1.882 11.424 1.00 0.00 C ATOM 92 C THR A 7 16.663 0.600 10.604 1.00 0.00 C ATOM 93 O THR A 7 17.558 -0.244 10.657 1.00 0.00 O ATOM 94 CB THR A 7 17.622 2.910 10.697 1.00 0.00 C ATOM 95 OG1 THR A 7 18.794 3.200 11.438 1.00 0.00 O ATOM 96 CG2 THR A 7 16.899 4.210 10.452 1.00 0.00 C ATOM 0 HA THR A 7 15.749 2.286 11.541 1.00 0.00 H new ATOM 0 HB THR A 7 17.874 2.457 9.738 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.819 2.641 12.243 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.562 4.903 9.933 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.016 4.026 9.840 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.596 4.643 11.405 1.00 0.00 H new ATOM 104 N PHE A 8 15.577 0.455 9.850 1.00 0.00 N ATOM 105 CA PHE A 8 15.383 -0.733 9.027 1.00 0.00 C ATOM 106 C PHE A 8 14.674 -0.423 7.713 1.00 0.00 C ATOM 107 O PHE A 8 13.758 0.394 7.657 1.00 0.00 O ATOM 108 CB PHE A 8 14.584 -1.793 9.789 1.00 0.00 C ATOM 109 CG PHE A 8 13.448 -1.253 10.619 1.00 0.00 C ATOM 110 CD1 PHE A 8 12.826 -0.047 10.310 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.998 -1.966 11.719 1.00 0.00 C ATOM 112 CE1 PHE A 8 11.784 0.428 11.084 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.958 -1.494 12.494 1.00 0.00 C ATOM 114 CZ PHE A 8 11.350 -0.298 12.177 1.00 0.00 C ATOM 0 H PHE A 8 14.824 1.140 9.792 1.00 0.00 H new ATOM 0 HA PHE A 8 16.378 -1.112 8.793 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.183 -2.510 9.073 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.264 -2.341 10.442 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.161 0.524 9.457 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.468 -2.905 11.973 1.00 0.00 H new ATOM 0 HE1 PHE A 8 11.309 1.366 10.835 1.00 0.00 H new ATOM 0 HE2 PHE A 8 11.621 -2.062 13.349 1.00 0.00 H new ATOM 0 HZ PHE A 8 10.535 0.071 12.782 1.00 0.00 H new ATOM 124 N CYS A 9 15.084 -1.116 6.660 1.00 0.00 N ATOM 125 CA CYS A 9 14.469 -0.952 5.354 1.00 0.00 C ATOM 126 C CYS A 9 13.403 -2.028 5.172 1.00 0.00 C ATOM 127 O CYS A 9 13.700 -3.219 5.263 1.00 0.00 O ATOM 128 CB CYS A 9 15.519 -1.059 4.247 1.00 0.00 C ATOM 129 SG CYS A 9 16.495 -2.580 4.304 1.00 0.00 S ATOM 0 H CYS A 9 15.842 -1.798 6.687 1.00 0.00 H new ATOM 0 HA CYS A 9 14.012 0.036 5.292 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.020 -0.995 3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.192 -0.205 4.315 1.00 0.00 H new ATOM 0 HG CYS A 9 15.760 -3.550 4.761 1.00 0.00 H new ATOM 135 N VAL A 10 12.163 -1.617 4.937 1.00 0.00 N ATOM 136 CA VAL A 10 11.073 -2.574 4.771 1.00 0.00 C ATOM 137 C VAL A 10 10.590 -2.613 3.332 1.00 0.00 C ATOM 138 O VAL A 10 10.664 -1.623 2.614 1.00 0.00 O ATOM 139 CB VAL A 10 9.881 -2.244 5.702 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.705 -1.646 4.933 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.446 -3.486 6.458 1.00 0.00 C ATOM 0 H VAL A 10 11.887 -0.638 4.857 1.00 0.00 H new ATOM 0 HA VAL A 10 11.469 -3.553 5.041 1.00 0.00 H new ATOM 0 HB VAL A 10 10.218 -1.492 6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.891 -1.429 5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.021 -0.724 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.363 -2.357 4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.607 -3.240 7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.142 -4.256 5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.276 -3.855 7.060 1.00 0.00 H new ATOM 151 N VAL A 11 10.093 -3.763 2.917 1.00 0.00 N ATOM 152 CA VAL A 11 9.600 -3.924 1.564 1.00 0.00 C ATOM 153 C VAL A 11 8.273 -4.671 1.544 1.00 0.00 C ATOM 154 O VAL A 11 8.156 -5.775 2.077 1.00 0.00 O ATOM 155 CB VAL A 11 10.638 -4.655 0.702 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.056 -5.955 1.362 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.115 -4.893 -0.708 1.00 0.00 C ATOM 0 H VAL A 11 10.020 -4.598 3.498 1.00 0.00 H new ATOM 0 HA VAL A 11 9.431 -2.931 1.148 1.00 0.00 H new ATOM 0 HB VAL A 11 11.519 -4.019 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.792 -6.460 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.493 -5.744 2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.184 -6.597 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.873 -5.413 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.211 -5.501 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.886 -3.936 -1.177 1.00 0.00 H new ATOM 167 N VAL A 12 7.272 -4.048 0.934 1.00 0.00 N ATOM 168 CA VAL A 12 5.940 -4.632 0.848 1.00 0.00 C ATOM 169 C VAL A 12 5.761 -5.420 -0.446 1.00 0.00 C ATOM 170 O VAL A 12 5.592 -4.841 -1.518 1.00 0.00 O ATOM 171 CB VAL A 12 4.856 -3.540 0.927 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.764 -2.988 2.338 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.146 -2.423 -0.064 1.00 0.00 C ATOM 0 H VAL A 12 7.359 -3.134 0.490 1.00 0.00 H new ATOM 0 HA VAL A 12 5.833 -5.312 1.693 1.00 0.00 H new ATOM 0 HB VAL A 12 3.897 -3.988 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.994 -2.218 2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.508 -3.793 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.724 -2.557 2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.369 -1.662 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.114 -1.976 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.164 -2.829 -1.075 1.00 0.00 H new ATOM 183 N GLN A 13 5.793 -6.743 -0.335 1.00 0.00 N ATOM 184 CA GLN A 13 5.629 -7.611 -1.496 1.00 0.00 C ATOM 185 C GLN A 13 4.169 -8.014 -1.663 1.00 0.00 C ATOM 186 O GLN A 13 3.640 -8.807 -0.883 1.00 0.00 O ATOM 187 CB GLN A 13 6.505 -8.857 -1.357 1.00 0.00 C ATOM 188 CG GLN A 13 7.174 -9.276 -2.657 1.00 0.00 C ATOM 189 CD GLN A 13 6.789 -10.678 -3.089 1.00 0.00 C ATOM 190 OE1 GLN A 13 5.612 -11.039 -3.086 1.00 0.00 O ATOM 191 NE2 GLN A 13 7.782 -11.476 -3.463 1.00 0.00 N ATOM 0 H GLN A 13 5.931 -7.238 0.546 1.00 0.00 H new ATOM 0 HA GLN A 13 5.940 -7.059 -2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.273 -8.670 -0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.894 -9.682 -0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.904 -8.571 -3.443 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.256 -9.221 -2.538 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.743 -11.135 -3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.584 -12.430 -3.764 1.00 0.00 H new ATOM 200 N ASN A 14 3.518 -7.459 -2.680 1.00 0.00 N ATOM 201 CA ASN A 14 2.116 -7.760 -2.943 1.00 0.00 C ATOM 202 C ASN A 14 1.909 -8.203 -4.387 1.00 0.00 C ATOM 203 O ASN A 14 2.594 -7.735 -5.297 1.00 0.00 O ATOM 204 CB ASN A 14 1.249 -6.536 -2.648 1.00 0.00 C ATOM 205 CG ASN A 14 -0.073 -6.905 -2.006 1.00 0.00 C ATOM 206 OD1 ASN A 14 -0.129 -7.747 -1.109 1.00 0.00 O ATOM 207 ND2 ASN A 14 -1.148 -6.274 -2.464 1.00 0.00 N ATOM 0 H ASN A 14 3.938 -6.799 -3.335 1.00 0.00 H new ATOM 0 HA ASN A 14 1.820 -8.579 -2.287 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.793 -5.859 -1.989 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.061 -5.995 -3.576 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.066 -6.480 -2.071 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.055 -5.583 -3.209 1.00 0.00 H new ATOM 482 N ASP A 31 6.758 -4.946 -5.551 1.00 0.00 N ATOM 483 CA ASP A 31 7.328 -4.755 -4.223 1.00 0.00 C ATOM 484 C ASP A 31 7.989 -3.386 -4.106 1.00 0.00 C ATOM 485 O ASP A 31 8.743 -2.972 -4.987 1.00 0.00 O ATOM 486 CB ASP A 31 8.348 -5.854 -3.918 1.00 0.00 C ATOM 487 CG ASP A 31 9.311 -6.086 -5.066 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.177 -5.216 -5.300 1.00 0.00 O ATOM 489 OD2 ASP A 31 9.201 -7.138 -5.729 1.00 0.00 O ATOM 0 HA ASP A 31 6.517 -4.811 -3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.911 -5.585 -3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.822 -6.782 -3.696 1.00 0.00 H new ATOM 494 N ASN A 32 7.703 -2.687 -3.012 1.00 0.00 N ATOM 495 CA ASN A 32 8.272 -1.366 -2.779 1.00 0.00 C ATOM 496 C ASN A 32 9.163 -1.376 -1.543 1.00 0.00 C ATOM 497 O ASN A 32 8.724 -1.760 -0.461 1.00 0.00 O ATOM 498 CB ASN A 32 7.156 -0.330 -2.614 1.00 0.00 C ATOM 499 CG ASN A 32 6.137 -0.379 -3.739 1.00 0.00 C ATOM 500 OD1 ASN A 32 4.948 -0.152 -3.520 1.00 0.00 O ATOM 501 ND2 ASN A 32 6.594 -0.673 -4.952 1.00 0.00 N ATOM 0 H ASN A 32 7.080 -3.014 -2.273 1.00 0.00 H new ATOM 0 HA ASN A 32 8.880 -1.097 -3.643 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.649 -0.497 -1.663 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.595 0.667 -2.571 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.951 -0.717 -5.743 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.588 -0.855 -5.092 1.00 0.00 H new ATOM 508 N SER A 33 10.417 -0.960 -1.708 1.00 0.00 N ATOM 509 CA SER A 33 11.360 -0.936 -0.597 1.00 0.00 C ATOM 510 C SER A 33 11.273 0.366 0.177 1.00 0.00 C ATOM 511 O SER A 33 11.022 1.432 -0.385 1.00 0.00 O ATOM 512 CB SER A 33 12.795 -1.134 -1.081 1.00 0.00 C ATOM 513 OG SER A 33 12.943 -2.366 -1.764 1.00 0.00 O ATOM 0 H SER A 33 10.800 -0.637 -2.596 1.00 0.00 H new ATOM 0 HA SER A 33 11.088 -1.761 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.074 -0.314 -1.742 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.475 -1.104 -0.230 1.00 0.00 H new ATOM 0 HG SER A 33 13.871 -2.465 -2.064 1.00 0.00 H new ATOM 519 N LEU A 34 11.481 0.259 1.478 1.00 0.00 N ATOM 520 CA LEU A 34 11.433 1.407 2.367 1.00 0.00 C ATOM 521 C LEU A 34 12.820 1.689 2.946 1.00 0.00 C ATOM 522 O LEU A 34 13.556 0.769 3.299 1.00 0.00 O ATOM 523 CB LEU A 34 10.405 1.141 3.485 1.00 0.00 C ATOM 524 CG LEU A 34 10.391 2.111 4.657 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.365 1.625 5.712 1.00 0.00 C ATOM 526 CD2 LEU A 34 10.704 3.536 4.226 1.00 0.00 C ATOM 0 H LEU A 34 11.687 -0.623 1.947 1.00 0.00 H new ATOM 0 HA LEU A 34 11.123 2.290 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.411 1.137 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.582 0.139 3.877 1.00 0.00 H new ATOM 0 HG LEU A 34 9.385 2.136 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.361 2.315 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.067 0.633 6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.368 1.577 5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.683 4.192 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.694 3.569 3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.960 3.869 3.502 1.00 0.00 H new ATOM 538 N ALA A 35 13.163 2.969 3.042 1.00 0.00 N ATOM 539 CA ALA A 35 14.442 3.397 3.577 1.00 0.00 C ATOM 540 C ALA A 35 14.495 3.143 5.070 1.00 0.00 C ATOM 541 O ALA A 35 13.466 3.013 5.720 1.00 0.00 O ATOM 542 CB ALA A 35 14.677 4.864 3.283 1.00 0.00 C ATOM 0 H ALA A 35 12.558 3.737 2.750 1.00 0.00 H new ATOM 0 HA ALA A 35 15.231 2.820 3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.641 5.167 3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.673 5.024 2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.886 5.458 3.741 1.00 0.00 H new ATOM 548 N ALA A 36 15.690 3.044 5.608 1.00 0.00 N ATOM 549 CA ALA A 36 15.842 2.754 7.025 1.00 0.00 C ATOM 550 C ALA A 36 15.392 3.930 7.879 1.00 0.00 C ATOM 551 O ALA A 36 16.011 4.993 7.895 1.00 0.00 O ATOM 552 CB ALA A 36 17.287 2.397 7.338 1.00 0.00 C ATOM 0 H ALA A 36 16.565 3.158 5.096 1.00 0.00 H new ATOM 0 HA ALA A 36 15.207 1.901 7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.386 2.182 8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.578 1.519 6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.934 3.234 7.075 1.00 0.00 H new ATOM 558 N VAL A 37 14.280 3.706 8.582 1.00 0.00 N ATOM 559 CA VAL A 37 13.679 4.707 9.453 1.00 0.00 C ATOM 560 C VAL A 37 13.450 4.132 10.848 1.00 0.00 C ATOM 561 O VAL A 37 13.559 2.923 11.054 1.00 0.00 O ATOM 562 CB VAL A 37 12.329 5.197 8.889 1.00 0.00 C ATOM 563 CG1 VAL A 37 11.883 6.480 9.573 1.00 0.00 C ATOM 564 CG2 VAL A 37 12.409 5.388 7.380 1.00 0.00 C ATOM 0 H VAL A 37 13.773 2.821 8.560 1.00 0.00 H new ATOM 0 HA VAL A 37 14.369 5.549 9.509 1.00 0.00 H new ATOM 0 HB VAL A 37 11.582 4.430 9.096 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.929 6.802 9.156 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.770 6.302 10.642 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.630 7.257 9.412 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.446 5.734 7.005 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.175 6.127 7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.663 4.440 6.906 1.00 0.00 H new ATOM 574 N SER A 38 13.133 4.999 11.804 1.00 0.00 N ATOM 575 CA SER A 38 12.890 4.570 13.177 1.00 0.00 C ATOM 576 C SER A 38 11.851 3.450 13.235 1.00 0.00 C ATOM 577 O SER A 38 12.177 2.305 13.547 1.00 0.00 O ATOM 578 CB SER A 38 12.428 5.755 14.027 1.00 0.00 C ATOM 579 OG SER A 38 13.036 5.733 15.307 1.00 0.00 O ATOM 0 H SER A 38 13.038 6.003 11.653 1.00 0.00 H new ATOM 0 HA SER A 38 13.827 4.183 13.577 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.674 6.688 13.520 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.344 5.728 14.136 1.00 0.00 H new ATOM 0 HG SER A 38 12.726 6.502 15.830 1.00 0.00 H new ATOM 585 N GLU A 39 10.599 3.791 12.942 1.00 0.00 N ATOM 586 CA GLU A 39 9.515 2.809 12.973 1.00 0.00 C ATOM 587 C GLU A 39 8.332 3.222 12.094 1.00 0.00 C ATOM 588 O GLU A 39 7.476 2.396 11.775 1.00 0.00 O ATOM 589 CB GLU A 39 9.040 2.596 14.410 1.00 0.00 C ATOM 590 CG GLU A 39 8.196 1.344 14.592 1.00 0.00 C ATOM 591 CD GLU A 39 6.924 1.606 15.375 1.00 0.00 C ATOM 592 OE1 GLU A 39 7.018 1.858 16.593 1.00 0.00 O ATOM 593 OE2 GLU A 39 5.833 1.557 14.767 1.00 0.00 O ATOM 0 H GLU A 39 10.309 4.734 12.682 1.00 0.00 H new ATOM 0 HA GLU A 39 9.913 1.877 12.572 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.908 2.537 15.066 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.461 3.464 14.725 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.939 0.939 13.613 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.785 0.585 15.107 1.00 0.00 H new ATOM 600 N SER A 40 8.276 4.499 11.716 1.00 0.00 N ATOM 601 CA SER A 40 7.187 5.014 10.888 1.00 0.00 C ATOM 602 C SER A 40 6.825 4.053 9.754 1.00 0.00 C ATOM 603 O SER A 40 5.647 3.810 9.494 1.00 0.00 O ATOM 604 CB SER A 40 7.569 6.377 10.307 1.00 0.00 C ATOM 605 OG SER A 40 8.713 6.275 9.476 1.00 0.00 O ATOM 0 H SER A 40 8.974 5.197 11.971 1.00 0.00 H new ATOM 0 HA SER A 40 6.311 5.118 11.529 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.734 6.778 9.733 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.766 7.079 11.117 1.00 0.00 H new ATOM 0 HG SER A 40 8.752 7.049 8.877 1.00 0.00 H new ATOM 611 N GLN A 41 7.838 3.516 9.079 1.00 0.00 N ATOM 612 CA GLN A 41 7.611 2.591 7.970 1.00 0.00 C ATOM 613 C GLN A 41 6.758 1.405 8.392 1.00 0.00 C ATOM 614 O GLN A 41 5.819 1.024 7.694 1.00 0.00 O ATOM 615 CB GLN A 41 8.937 2.086 7.399 1.00 0.00 C ATOM 616 CG GLN A 41 9.815 1.335 8.393 1.00 0.00 C ATOM 617 CD GLN A 41 9.435 -0.132 8.583 1.00 0.00 C ATOM 618 OE1 GLN A 41 9.947 -0.793 9.486 1.00 0.00 O ATOM 619 NE2 GLN A 41 8.541 -0.654 7.745 1.00 0.00 N ATOM 0 H GLN A 41 8.820 3.704 9.279 1.00 0.00 H new ATOM 0 HA GLN A 41 7.075 3.146 7.200 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.727 1.431 6.554 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.497 2.937 7.011 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.851 1.390 8.059 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.765 1.839 9.358 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.136 -0.078 7.007 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.261 -1.630 7.841 1.00 0.00 H new ATOM 628 N LEU A 42 7.102 0.809 9.525 1.00 0.00 N ATOM 629 CA LEU A 42 6.379 -0.356 10.025 1.00 0.00 C ATOM 630 C LEU A 42 4.875 -0.121 10.024 1.00 0.00 C ATOM 631 O LEU A 42 4.119 -0.892 9.436 1.00 0.00 O ATOM 632 CB LEU A 42 6.855 -0.713 11.435 1.00 0.00 C ATOM 633 CG LEU A 42 6.182 -1.939 12.056 1.00 0.00 C ATOM 634 CD1 LEU A 42 6.942 -3.205 11.693 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.089 -1.787 13.566 1.00 0.00 C ATOM 0 H LEU A 42 7.876 1.111 10.116 1.00 0.00 H new ATOM 0 HA LEU A 42 6.589 -1.190 9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.931 -0.884 11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.686 0.144 12.087 1.00 0.00 H new ATOM 0 HG LEU A 42 5.172 -2.018 11.655 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.449 -4.067 12.143 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.958 -3.321 10.609 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.964 -3.136 12.066 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.608 -2.668 13.991 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.090 -1.683 13.984 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.502 -0.901 13.807 1.00 0.00 H new ATOM 647 N ALA A 43 4.448 0.943 10.683 1.00 0.00 N ATOM 648 CA ALA A 43 3.033 1.270 10.753 1.00 0.00 C ATOM 649 C ALA A 43 2.530 1.826 9.426 1.00 0.00 C ATOM 650 O ALA A 43 1.353 1.689 9.093 1.00 0.00 O ATOM 651 CB ALA A 43 2.779 2.258 11.874 1.00 0.00 C ATOM 0 H ALA A 43 5.059 1.594 11.176 1.00 0.00 H new ATOM 0 HA ALA A 43 2.482 0.353 10.961 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.716 2.495 11.916 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.091 1.820 12.822 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.347 3.170 11.691 1.00 0.00 H new ATOM 657 N GLN A 44 3.427 2.453 8.669 1.00 0.00 N ATOM 658 CA GLN A 44 3.063 3.022 7.377 1.00 0.00 C ATOM 659 C GLN A 44 2.497 1.947 6.456 1.00 0.00 C ATOM 660 O GLN A 44 1.415 2.105 5.892 1.00 0.00 O ATOM 661 CB GLN A 44 4.277 3.688 6.721 1.00 0.00 C ATOM 662 CG GLN A 44 4.064 5.159 6.404 1.00 0.00 C ATOM 663 CD GLN A 44 5.339 5.852 5.965 1.00 0.00 C ATOM 664 OE1 GLN A 44 6.188 5.255 5.304 1.00 0.00 O ATOM 665 NE2 GLN A 44 5.479 7.120 6.333 1.00 0.00 N ATOM 0 H GLN A 44 4.406 2.579 8.927 1.00 0.00 H new ATOM 0 HA GLN A 44 2.296 3.778 7.544 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.138 3.588 7.382 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.519 3.157 5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.315 5.253 5.618 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.666 5.663 7.285 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.749 7.576 6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.316 7.639 6.068 1.00 0.00 H new ATOM 674 N LEU A 45 3.235 0.850 6.311 1.00 0.00 N ATOM 675 CA LEU A 45 2.800 -0.250 5.462 1.00 0.00 C ATOM 676 C LEU A 45 1.755 -1.104 6.172 1.00 0.00 C ATOM 677 O LEU A 45 0.743 -1.482 5.584 1.00 0.00 O ATOM 678 CB LEU A 45 3.993 -1.111 5.047 1.00 0.00 C ATOM 679 CG LEU A 45 5.018 -0.417 4.146 1.00 0.00 C ATOM 680 CD1 LEU A 45 4.327 0.314 3.007 1.00 0.00 C ATOM 681 CD2 LEU A 45 5.891 0.533 4.951 1.00 0.00 C ATOM 0 H LEU A 45 4.134 0.701 6.770 1.00 0.00 H new ATOM 0 HA LEU A 45 2.346 0.174 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.501 -1.458 5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.620 -1.996 4.531 1.00 0.00 H new ATOM 0 HG LEU A 45 5.663 -1.182 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.075 0.800 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.759 -0.399 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.651 1.066 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.611 1.014 4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.266 1.292 5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.423 -0.026 5.721 1.00 0.00 H new ATOM 692 N LYS A 46 2.008 -1.402 7.442 1.00 0.00 N ATOM 693 CA LYS A 46 1.085 -2.211 8.234 1.00 0.00 C ATOM 694 C LYS A 46 -0.266 -1.514 8.393 1.00 0.00 C ATOM 695 O LYS A 46 -1.263 -2.149 8.738 1.00 0.00 O ATOM 696 CB LYS A 46 1.679 -2.506 9.614 1.00 0.00 C ATOM 697 CG LYS A 46 1.127 -3.769 10.255 1.00 0.00 C ATOM 698 CD LYS A 46 0.925 -3.595 11.752 1.00 0.00 C ATOM 699 CE LYS A 46 -0.394 -4.195 12.211 1.00 0.00 C ATOM 700 NZ LYS A 46 -0.557 -5.601 11.746 1.00 0.00 N ATOM 0 H LYS A 46 2.841 -1.097 7.945 1.00 0.00 H new ATOM 0 HA LYS A 46 0.929 -3.150 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.761 -2.598 9.523 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.485 -1.659 10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.178 -4.030 9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.811 -4.598 10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.747 -4.069 12.288 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.950 -2.534 12.002 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.448 -4.164 13.299 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.219 -3.590 11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.205 -6.105 12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.948 -5.605 10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.368 -6.076 11.746 1.00 0.00 H new ATOM 714 N ALA A 47 -0.294 -0.206 8.143 1.00 0.00 N ATOM 715 CA ALA A 47 -1.524 0.572 8.262 1.00 0.00 C ATOM 716 C ALA A 47 -2.692 -0.114 7.558 1.00 0.00 C ATOM 717 O ALA A 47 -3.636 -0.570 8.201 1.00 0.00 O ATOM 718 CB ALA A 47 -1.317 1.971 7.701 1.00 0.00 C ATOM 0 H ALA A 47 0.521 0.336 7.857 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.772 0.645 9.321 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.241 2.541 7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.523 2.472 8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.038 1.904 6.649 1.00 0.00 H new ATOM 724 N ASP A 48 -2.620 -0.182 6.232 1.00 0.00 N ATOM 725 CA ASP A 48 -3.672 -0.812 5.443 1.00 0.00 C ATOM 726 C ASP A 48 -3.445 -2.319 5.333 1.00 0.00 C ATOM 727 O ASP A 48 -2.333 -2.766 5.054 1.00 0.00 O ATOM 728 CB ASP A 48 -3.731 -0.191 4.046 1.00 0.00 C ATOM 729 CG ASP A 48 -4.456 1.140 4.034 1.00 0.00 C ATOM 730 OD1 ASP A 48 -4.083 2.026 4.832 1.00 0.00 O ATOM 731 OD2 ASP A 48 -5.396 1.298 3.228 1.00 0.00 O ATOM 0 H ASP A 48 -1.846 0.191 5.683 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.622 -0.643 5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.717 -0.053 3.670 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.232 -0.880 3.366 1.00 0.00 H new ATOM 736 N PRO A 49 -4.499 -3.127 5.552 1.00 0.00 N ATOM 737 CA PRO A 49 -4.406 -4.583 5.477 1.00 0.00 C ATOM 738 C PRO A 49 -4.571 -5.108 4.053 1.00 0.00 C ATOM 739 O PRO A 49 -5.343 -6.034 3.809 1.00 0.00 O ATOM 740 CB PRO A 49 -5.573 -5.033 6.349 1.00 0.00 C ATOM 741 CG PRO A 49 -6.609 -3.977 6.157 1.00 0.00 C ATOM 742 CD PRO A 49 -5.866 -2.688 5.894 1.00 0.00 C ATOM 0 HA PRO A 49 -3.433 -4.954 5.798 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.942 -6.012 6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.279 -5.115 7.395 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.264 -4.224 5.322 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.240 -3.887 7.041 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.320 -2.125 5.079 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.869 -2.039 6.770 1.00 0.00 H new ATOM 750 N ARG A 50 -3.840 -4.509 3.117 1.00 0.00 N ATOM 751 CA ARG A 50 -3.909 -4.919 1.719 1.00 0.00 C ATOM 752 C ARG A 50 -2.606 -5.578 1.282 1.00 0.00 C ATOM 753 O ARG A 50 -2.613 -6.550 0.528 1.00 0.00 O ATOM 754 CB ARG A 50 -4.208 -3.714 0.826 1.00 0.00 C ATOM 755 CG ARG A 50 -5.692 -3.428 0.668 1.00 0.00 C ATOM 756 CD ARG A 50 -6.251 -2.702 1.881 1.00 0.00 C ATOM 757 NE ARG A 50 -7.662 -3.013 2.101 1.00 0.00 N ATOM 758 CZ ARG A 50 -8.449 -2.333 2.932 1.00 0.00 C ATOM 759 NH1 ARG A 50 -7.970 -1.306 3.621 1.00 0.00 N ATOM 760 NH2 ARG A 50 -9.720 -2.684 3.075 1.00 0.00 N ATOM 0 H ARG A 50 -3.195 -3.740 3.301 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.715 -5.645 1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.719 -2.833 1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.772 -3.885 -0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.854 -2.825 -0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.231 -4.364 0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.677 -2.978 2.765 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.133 -1.627 1.747 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.067 -3.796 1.588 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.993 -1.033 3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.579 -0.789 4.256 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.093 -3.474 2.549 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.324 -2.164 3.711 1.00 0.00 H new ATOM 774 N LEU A 51 -1.487 -5.044 1.763 1.00 0.00 N ATOM 775 CA LEU A 51 -0.176 -5.586 1.421 1.00 0.00 C ATOM 776 C LEU A 51 0.490 -6.202 2.647 1.00 0.00 C ATOM 777 O LEU A 51 -0.104 -6.260 3.724 1.00 0.00 O ATOM 778 CB LEU A 51 0.728 -4.498 0.826 1.00 0.00 C ATOM 779 CG LEU A 51 0.008 -3.336 0.125 1.00 0.00 C ATOM 780 CD1 LEU A 51 -1.061 -3.852 -0.830 1.00 0.00 C ATOM 781 CD2 LEU A 51 -0.598 -2.388 1.149 1.00 0.00 C ATOM 0 H LEU A 51 -1.462 -4.239 2.389 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.323 -6.365 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.345 -4.088 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.404 -4.966 0.110 1.00 0.00 H new ATOM 0 HG LEU A 51 0.744 -2.786 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.555 -3.009 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.598 -4.484 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.796 -4.433 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.104 -1.571 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.316 -2.929 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.191 -1.984 1.783 1.00 0.00 H new ATOM 793 N VAL A 52 1.723 -6.666 2.475 1.00 0.00 N ATOM 794 CA VAL A 52 2.466 -7.285 3.569 1.00 0.00 C ATOM 795 C VAL A 52 3.710 -6.475 3.919 1.00 0.00 C ATOM 796 O VAL A 52 4.510 -6.151 3.046 1.00 0.00 O ATOM 797 CB VAL A 52 2.880 -8.731 3.216 1.00 0.00 C ATOM 798 CG1 VAL A 52 1.723 -9.471 2.569 1.00 0.00 C ATOM 799 CG2 VAL A 52 4.098 -8.748 2.299 1.00 0.00 C ATOM 0 H VAL A 52 2.229 -6.626 1.590 1.00 0.00 H new ATOM 0 HA VAL A 52 1.802 -7.307 4.433 1.00 0.00 H new ATOM 0 HB VAL A 52 3.148 -9.238 4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.032 -10.488 2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.880 -9.502 3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.426 -8.955 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.365 -9.779 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.865 -8.218 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.935 -8.259 2.797 1.00 0.00 H new ATOM 809 N VAL A 53 3.872 -6.156 5.198 1.00 0.00 N ATOM 810 CA VAL A 53 5.030 -5.391 5.644 1.00 0.00 C ATOM 811 C VAL A 53 5.897 -6.215 6.589 1.00 0.00 C ATOM 812 O VAL A 53 5.466 -6.599 7.676 1.00 0.00 O ATOM 813 CB VAL A 53 4.608 -4.078 6.332 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.580 -4.339 7.422 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.813 -3.332 6.894 1.00 0.00 C ATOM 0 H VAL A 53 3.221 -6.413 5.940 1.00 0.00 H new ATOM 0 HA VAL A 53 5.613 -5.142 4.757 1.00 0.00 H new ATOM 0 HB VAL A 53 4.147 -3.444 5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.300 -3.396 7.891 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.696 -4.804 6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.006 -5.005 8.172 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.480 -2.411 7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.319 -3.959 7.628 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.502 -3.092 6.084 1.00 0.00 H new ATOM 825 N GLN A 54 7.122 -6.483 6.155 1.00 0.00 N ATOM 826 CA GLN A 54 8.065 -7.267 6.949 1.00 0.00 C ATOM 827 C GLN A 54 9.391 -6.531 7.118 1.00 0.00 C ATOM 828 O GLN A 54 10.062 -6.216 6.136 1.00 0.00 O ATOM 829 CB GLN A 54 8.303 -8.628 6.294 1.00 0.00 C ATOM 830 CG GLN A 54 8.896 -9.663 7.237 1.00 0.00 C ATOM 831 CD GLN A 54 7.894 -10.726 7.644 1.00 0.00 C ATOM 832 OE1 GLN A 54 7.959 -11.866 7.185 1.00 0.00 O ATOM 833 NE2 GLN A 54 6.959 -10.355 8.511 1.00 0.00 N ATOM 0 H GLN A 54 7.488 -6.169 5.256 1.00 0.00 H new ATOM 0 HA GLN A 54 7.630 -7.415 7.937 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.357 -9.004 5.904 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.971 -8.500 5.442 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.750 -10.140 6.756 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.271 -9.163 8.130 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.943 -9.399 8.866 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.257 -11.026 8.822 1.00 0.00 H new ATOM 842 N ILE A 55 9.764 -6.270 8.369 1.00 0.00 N ATOM 843 CA ILE A 55 11.012 -5.572 8.672 1.00 0.00 C ATOM 844 C ILE A 55 12.174 -6.550 8.803 1.00 0.00 C ATOM 845 O ILE A 55 12.032 -7.625 9.384 1.00 0.00 O ATOM 846 CB ILE A 55 10.897 -4.766 9.982 1.00 0.00 C ATOM 847 CG1 ILE A 55 10.317 -5.640 11.097 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.040 -3.527 9.769 1.00 0.00 C ATOM 849 CD1 ILE A 55 11.112 -5.590 12.383 1.00 0.00 C ATOM 0 H ILE A 55 9.219 -6.532 9.191 1.00 0.00 H new ATOM 0 HA ILE A 55 11.201 -4.892 7.842 1.00 0.00 H new ATOM 0 HB ILE A 55 11.895 -4.445 10.282 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.294 -5.324 11.300 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.268 -6.672 10.750 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.969 -2.969 10.703 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.494 -2.897 9.004 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.042 -3.826 9.448 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.642 -6.233 13.127 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.129 -5.935 12.196 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.139 -4.566 12.754 1.00 0.00 H new ATOM 861 N THR A 56 13.324 -6.164 8.262 1.00 0.00 N ATOM 862 CA THR A 56 14.516 -7.001 8.320 1.00 0.00 C ATOM 863 C THR A 56 15.660 -6.259 9.001 1.00 0.00 C ATOM 864 O THR A 56 16.278 -5.373 8.411 1.00 0.00 O ATOM 865 CB THR A 56 14.934 -7.427 6.912 1.00 0.00 C ATOM 866 OG1 THR A 56 14.856 -6.336 6.013 1.00 0.00 O ATOM 867 CG2 THR A 56 14.085 -8.547 6.349 1.00 0.00 C ATOM 0 H THR A 56 13.456 -5.276 7.778 1.00 0.00 H new ATOM 0 HA THR A 56 14.282 -7.891 8.904 1.00 0.00 H new ATOM 0 HB THR A 56 15.959 -7.784 7.011 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.287 -5.552 6.413 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.435 -8.801 5.348 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.164 -9.422 6.994 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.045 -8.225 6.299 1.00 0.00 H new ATOM 1312 N LEU A 89 -4.470 -25.262 5.728 1.00 0.00 N ATOM 1313 CA LEU A 89 -3.768 -24.678 6.865 1.00 0.00 C ATOM 1314 C LEU A 89 -4.668 -24.622 8.097 1.00 0.00 C ATOM 1315 O LEU A 89 -4.185 -24.605 9.229 1.00 0.00 O ATOM 1316 CB LEU A 89 -3.274 -23.272 6.516 1.00 0.00 C ATOM 1317 CG LEU A 89 -2.271 -23.204 5.362 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -1.112 -24.158 5.606 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -2.957 -23.522 4.042 1.00 0.00 C ATOM 0 HA LEU A 89 -2.912 -25.313 7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.135 -22.653 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.815 -22.835 7.402 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.875 -22.190 5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.409 -24.096 4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.605 -23.885 6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.490 -25.177 5.686 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.230 -23.469 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.381 -24.525 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.753 -22.799 3.862 1.00 0.00 H new ATOM 1331 N ASN A 90 -5.979 -24.591 7.869 1.00 0.00 N ATOM 1332 CA ASN A 90 -6.949 -24.533 8.961 1.00 0.00 C ATOM 1333 C ASN A 90 -6.654 -25.587 10.030 1.00 0.00 C ATOM 1334 O ASN A 90 -6.684 -25.293 11.225 1.00 0.00 O ATOM 1335 CB ASN A 90 -8.367 -24.719 8.417 1.00 0.00 C ATOM 1336 CG ASN A 90 -9.228 -23.487 8.611 1.00 0.00 C ATOM 1337 OD1 ASN A 90 -8.720 -22.388 8.833 1.00 0.00 O ATOM 1338 ND2 ASN A 90 -10.542 -23.664 8.528 1.00 0.00 N ATOM 0 H ASN A 90 -6.395 -24.605 6.938 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.868 -23.551 9.427 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.317 -24.960 7.355 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.835 -25.568 8.915 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.172 -22.871 8.650 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.921 -24.593 8.342 1.00 0.00 H new ATOM 1345 N THR A 91 -6.382 -26.815 9.596 1.00 0.00 N ATOM 1346 CA THR A 91 -6.098 -27.908 10.525 1.00 0.00 C ATOM 1347 C THR A 91 -4.842 -27.640 11.368 1.00 0.00 C ATOM 1348 O THR A 91 -4.608 -28.324 12.365 1.00 0.00 O ATOM 1349 CB THR A 91 -5.936 -29.225 9.759 1.00 0.00 C ATOM 1350 OG1 THR A 91 -5.915 -28.998 8.360 1.00 0.00 O ATOM 1351 CG2 THR A 91 -7.038 -30.223 10.048 1.00 0.00 C ATOM 0 H THR A 91 -6.352 -27.079 8.611 1.00 0.00 H new ATOM 0 HA THR A 91 -6.945 -27.980 11.207 1.00 0.00 H new ATOM 0 HB THR A 91 -4.989 -29.642 10.102 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.809 -29.852 7.892 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.864 -31.133 9.474 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.044 -30.460 11.112 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.000 -29.795 9.766 1.00 0.00 H new ATOM 1359 N PHE A 92 -4.039 -26.651 10.975 1.00 0.00 N ATOM 1360 CA PHE A 92 -2.825 -26.317 11.711 1.00 0.00 C ATOM 1361 C PHE A 92 -3.008 -25.022 12.493 1.00 0.00 C ATOM 1362 O PHE A 92 -3.694 -24.105 12.041 1.00 0.00 O ATOM 1363 CB PHE A 92 -1.645 -26.193 10.749 1.00 0.00 C ATOM 1364 CG PHE A 92 -1.442 -27.408 9.890 1.00 0.00 C ATOM 1365 CD1 PHE A 92 -2.327 -27.702 8.864 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -0.369 -28.256 10.109 1.00 0.00 C ATOM 1367 CE1 PHE A 92 -2.143 -28.821 8.072 1.00 0.00 C ATOM 1368 CE2 PHE A 92 -0.181 -29.375 9.322 1.00 0.00 C ATOM 1369 CZ PHE A 92 -1.069 -29.659 8.302 1.00 0.00 C ATOM 0 H PHE A 92 -4.209 -26.070 10.154 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.619 -27.119 12.420 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.799 -25.326 10.107 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.737 -26.007 11.323 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.169 -27.051 8.681 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.329 -28.040 10.904 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.838 -29.039 7.275 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.660 -30.028 9.504 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.924 -30.534 7.686 1.00 0.00 H new ATOM 1379 N THR A 93 -2.397 -24.955 13.670 1.00 0.00 N ATOM 1380 CA THR A 93 -2.503 -23.771 14.516 1.00 0.00 C ATOM 1381 C THR A 93 -1.267 -22.873 14.362 1.00 0.00 C ATOM 1382 O THR A 93 -1.128 -22.179 13.355 1.00 0.00 O ATOM 1383 CB THR A 93 -2.725 -24.181 15.980 1.00 0.00 C ATOM 1384 OG1 THR A 93 -2.400 -23.120 16.858 1.00 0.00 O ATOM 1385 CG2 THR A 93 -1.917 -25.391 16.403 1.00 0.00 C ATOM 0 H THR A 93 -1.825 -25.704 14.060 1.00 0.00 H new ATOM 0 HA THR A 93 -3.367 -23.189 14.195 1.00 0.00 H new ATOM 0 HB THR A 93 -3.783 -24.435 16.042 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.829 -23.456 17.580 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.126 -25.621 17.448 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.189 -26.245 15.782 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.855 -25.179 16.283 1.00 0.00 H new ATOM 1393 N VAL A 94 -0.373 -22.884 15.351 1.00 0.00 N ATOM 1394 CA VAL A 94 0.835 -22.066 15.293 1.00 0.00 C ATOM 1395 C VAL A 94 2.017 -22.781 15.944 1.00 0.00 C ATOM 1396 O VAL A 94 3.145 -22.702 15.459 1.00 0.00 O ATOM 1397 CB VAL A 94 0.635 -20.697 15.977 1.00 0.00 C ATOM 1398 CG1 VAL A 94 -0.126 -19.751 15.061 1.00 0.00 C ATOM 1399 CG2 VAL A 94 -0.084 -20.848 17.310 1.00 0.00 C ATOM 0 H VAL A 94 -0.463 -23.447 16.197 1.00 0.00 H new ATOM 0 HA VAL A 94 1.048 -21.902 14.237 1.00 0.00 H new ATOM 0 HB VAL A 94 1.619 -20.272 16.175 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.258 -18.790 15.559 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.436 -19.607 14.138 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.102 -20.177 14.828 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.211 -19.867 17.768 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.062 -21.301 17.147 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.505 -21.484 17.971 1.00 0.00 H new ATOM 1409 N GLU A 95 1.750 -23.478 17.045 1.00 0.00 N ATOM 1410 CA GLU A 95 2.789 -24.207 17.763 1.00 0.00 C ATOM 1411 C GLU A 95 3.061 -25.565 17.124 1.00 0.00 C ATOM 1412 O GLU A 95 4.129 -26.145 17.317 1.00 0.00 O ATOM 1413 CB GLU A 95 2.390 -24.390 19.229 1.00 0.00 C ATOM 1414 CG GLU A 95 1.120 -25.204 19.417 1.00 0.00 C ATOM 1415 CD GLU A 95 0.760 -25.395 20.877 1.00 0.00 C ATOM 1416 OE1 GLU A 95 0.867 -24.417 21.648 1.00 0.00 O ATOM 1417 OE2 GLU A 95 0.372 -26.521 21.251 1.00 0.00 O ATOM 0 H GLU A 95 0.821 -23.553 17.459 1.00 0.00 H new ATOM 0 HA GLU A 95 3.705 -23.619 17.709 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.207 -24.878 19.761 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.254 -23.409 19.685 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.296 -24.707 18.905 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.245 -26.179 18.947 1.00 0.00 H new ATOM 1424 N GLN A 96 2.098 -26.066 16.358 1.00 0.00 N ATOM 1425 CA GLN A 96 2.250 -27.351 15.694 1.00 0.00 C ATOM 1426 C GLN A 96 3.274 -27.235 14.581 1.00 0.00 C ATOM 1427 O GLN A 96 4.233 -28.000 14.514 1.00 0.00 O ATOM 1428 CB GLN A 96 0.905 -27.823 15.131 1.00 0.00 C ATOM 1429 CG GLN A 96 0.329 -29.027 15.861 1.00 0.00 C ATOM 1430 CD GLN A 96 -0.789 -28.652 16.814 1.00 0.00 C ATOM 1431 OE1 GLN A 96 -1.938 -28.485 16.404 1.00 0.00 O ATOM 1432 NE2 GLN A 96 -0.457 -28.518 18.092 1.00 0.00 N ATOM 0 H GLN A 96 1.207 -25.602 16.183 1.00 0.00 H new ATOM 0 HA GLN A 96 2.596 -28.086 16.421 1.00 0.00 H new ATOM 0 HB2 GLN A 96 0.191 -27.001 15.182 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.029 -28.072 14.077 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.046 -29.744 15.131 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.124 -29.524 16.417 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.508 -28.666 18.386 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.167 -28.267 18.780 1.00 0.00 H new ATOM 1441 N LEU A 97 3.063 -26.253 13.721 1.00 0.00 N ATOM 1442 CA LEU A 97 3.966 -25.996 12.603 1.00 0.00 C ATOM 1443 C LEU A 97 5.402 -25.884 13.092 1.00 0.00 C ATOM 1444 O LEU A 97 6.285 -26.621 12.655 1.00 0.00 O ATOM 1445 CB LEU A 97 3.581 -24.704 11.871 1.00 0.00 C ATOM 1446 CG LEU A 97 2.590 -23.788 12.597 1.00 0.00 C ATOM 1447 CD1 LEU A 97 3.047 -22.344 12.520 1.00 0.00 C ATOM 1448 CD2 LEU A 97 1.203 -23.939 12.003 1.00 0.00 C ATOM 0 H LEU A 97 2.269 -25.614 13.773 1.00 0.00 H new ATOM 0 HA LEU A 97 3.882 -26.834 11.912 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.491 -24.137 11.674 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.156 -24.971 10.904 1.00 0.00 H new ATOM 0 HG LEU A 97 2.552 -24.080 13.646 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.331 -21.708 13.041 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.027 -22.247 12.988 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.112 -22.038 11.476 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.509 -23.283 12.528 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.228 -23.670 10.947 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.873 -24.973 12.106 1.00 0.00 H new ATOM 1460 N LYS A 98 5.617 -24.947 14.000 1.00 0.00 N ATOM 1461 CA LYS A 98 6.936 -24.705 14.566 1.00 0.00 C ATOM 1462 C LYS A 98 7.538 -25.982 15.153 1.00 0.00 C ATOM 1463 O LYS A 98 8.746 -26.202 15.063 1.00 0.00 O ATOM 1464 CB LYS A 98 6.834 -23.620 15.639 1.00 0.00 C ATOM 1465 CG LYS A 98 7.850 -22.502 15.480 1.00 0.00 C ATOM 1466 CD LYS A 98 7.335 -21.194 16.064 1.00 0.00 C ATOM 1467 CE LYS A 98 5.997 -20.794 15.455 1.00 0.00 C ATOM 1468 NZ LYS A 98 5.756 -19.329 15.552 1.00 0.00 N ATOM 0 H LYS A 98 4.887 -24.335 14.365 1.00 0.00 H new ATOM 0 HA LYS A 98 7.599 -24.371 13.768 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.831 -23.193 15.616 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.963 -24.079 16.619 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.780 -22.781 15.974 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.079 -22.365 14.423 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.228 -21.295 17.144 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.066 -20.404 15.888 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.970 -21.097 14.408 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.194 -21.328 15.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.835 -19.100 15.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.756 -19.043 16.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.508 -18.819 15.046 1.00 0.00 H new ATOM 1482 N ALA A 99 6.699 -26.819 15.759 1.00 0.00 N ATOM 1483 CA ALA A 99 7.173 -28.064 16.359 1.00 0.00 C ATOM 1484 C ALA A 99 7.262 -29.190 15.340 1.00 0.00 C ATOM 1485 O ALA A 99 7.992 -30.162 15.533 1.00 0.00 O ATOM 1486 CB ALA A 99 6.282 -28.466 17.523 1.00 0.00 C ATOM 0 H ALA A 99 5.695 -26.660 15.847 1.00 0.00 H new ATOM 0 HA ALA A 99 8.181 -27.883 16.731 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.649 -29.395 17.958 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.295 -27.681 18.279 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.262 -28.610 17.167 1.00 0.00 H new ATOM 1492 N GLN A 100 6.515 -29.051 14.264 1.00 0.00 N ATOM 1493 CA GLN A 100 6.499 -30.057 13.208 1.00 0.00 C ATOM 1494 C GLN A 100 7.608 -29.810 12.192 1.00 0.00 C ATOM 1495 O GLN A 100 8.237 -30.751 11.708 1.00 0.00 O ATOM 1496 CB GLN A 100 5.141 -30.079 12.505 1.00 0.00 C ATOM 1497 CG GLN A 100 4.734 -31.460 12.017 1.00 0.00 C ATOM 1498 CD GLN A 100 3.884 -32.207 13.025 1.00 0.00 C ATOM 1499 OE1 GLN A 100 2.673 -32.345 12.852 1.00 0.00 O ATOM 1500 NE2 GLN A 100 4.516 -32.692 14.088 1.00 0.00 N ATOM 0 H GLN A 100 5.907 -28.250 14.092 1.00 0.00 H new ATOM 0 HA GLN A 100 6.672 -31.027 13.674 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.380 -29.705 13.190 1.00 0.00 H new ATOM 0 HB3 GLN A 100 5.169 -29.396 11.656 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.182 -31.363 11.082 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.629 -32.043 11.799 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.521 -32.554 14.191 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.996 -33.203 14.802 1.00 0.00 H new ATOM 1509 N LEU A 101 7.847 -28.542 11.872 1.00 0.00 N ATOM 1510 CA LEU A 101 8.884 -28.186 10.912 1.00 0.00 C ATOM 1511 C LEU A 101 10.236 -28.680 11.399 1.00 0.00 C ATOM 1512 O LEU A 101 10.997 -29.296 10.651 1.00 0.00 O ATOM 1513 CB LEU A 101 8.944 -26.664 10.710 1.00 0.00 C ATOM 1514 CG LEU A 101 8.145 -26.080 9.530 1.00 0.00 C ATOM 1515 CD1 LEU A 101 8.827 -24.826 9.010 1.00 0.00 C ATOM 1516 CD2 LEU A 101 7.967 -27.089 8.397 1.00 0.00 C ATOM 0 H LEU A 101 7.339 -27.748 12.262 1.00 0.00 H new ATOM 0 HA LEU A 101 8.640 -28.659 9.961 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.593 -26.187 11.625 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.989 -26.381 10.584 1.00 0.00 H new ATOM 0 HG LEU A 101 7.151 -25.830 9.901 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.255 -24.420 8.176 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.882 -24.085 9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.834 -25.072 8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.398 -26.631 7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.945 -27.394 8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.431 -27.963 8.769 1.00 0.00 H new ATOM 1528 N THR A 102 10.525 -28.405 12.664 1.00 0.00 N ATOM 1529 CA THR A 102 11.783 -28.820 13.263 1.00 0.00 C ATOM 1530 C THR A 102 11.871 -30.335 13.310 1.00 0.00 C ATOM 1531 O THR A 102 12.928 -30.915 13.057 1.00 0.00 O ATOM 1532 CB THR A 102 11.921 -28.241 14.669 1.00 0.00 C ATOM 1533 OG1 THR A 102 10.669 -27.788 15.155 1.00 0.00 O ATOM 1534 CG2 THR A 102 12.885 -27.081 14.731 1.00 0.00 C ATOM 0 H THR A 102 9.904 -27.896 13.294 1.00 0.00 H new ATOM 0 HA THR A 102 12.599 -28.441 12.648 1.00 0.00 H new ATOM 0 HB THR A 102 12.305 -29.054 15.285 1.00 0.00 H new ATOM 0 HG1 THR A 102 10.498 -26.882 14.824 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.943 -26.710 15.754 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.873 -27.411 14.408 1.00 0.00 H new ATOM 0 HG23 THR A 102 12.537 -26.283 14.075 1.00 0.00 H new ATOM 1542 N GLU A 103 10.753 -30.974 13.630 1.00 0.00 N ATOM 1543 CA GLU A 103 10.712 -32.425 13.701 1.00 0.00 C ATOM 1544 C GLU A 103 10.642 -33.046 12.309 1.00 0.00 C ATOM 1545 O GLU A 103 10.724 -34.264 12.157 1.00 0.00 O ATOM 1546 CB GLU A 103 9.526 -32.890 14.551 1.00 0.00 C ATOM 1547 CG GLU A 103 9.891 -33.951 15.576 1.00 0.00 C ATOM 1548 CD GLU A 103 9.005 -35.180 15.487 1.00 0.00 C ATOM 1549 OE1 GLU A 103 8.966 -35.807 14.407 1.00 0.00 O ATOM 1550 OE2 GLU A 103 8.352 -35.515 16.497 1.00 0.00 O ATOM 0 H GLU A 103 9.869 -30.512 13.843 1.00 0.00 H new ATOM 0 HA GLU A 103 11.635 -32.760 14.174 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.100 -32.030 15.067 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.751 -33.283 13.894 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.930 -34.246 15.433 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.815 -33.525 16.577 1.00 0.00 H new ATOM 1557 N ARG A 104 10.494 -32.199 11.299 1.00 0.00 N ATOM 1558 CA ARG A 104 10.417 -32.658 9.916 1.00 0.00 C ATOM 1559 C ARG A 104 11.757 -32.485 9.202 1.00 0.00 C ATOM 1560 O ARG A 104 11.978 -33.059 8.135 1.00 0.00 O ATOM 1561 CB ARG A 104 9.326 -31.891 9.163 1.00 0.00 C ATOM 1562 CG ARG A 104 8.017 -32.653 9.047 1.00 0.00 C ATOM 1563 CD ARG A 104 7.155 -32.105 7.921 1.00 0.00 C ATOM 1564 NE ARG A 104 6.157 -33.073 7.473 1.00 0.00 N ATOM 1565 CZ ARG A 104 5.013 -33.308 8.111 1.00 0.00 C ATOM 1566 NH1 ARG A 104 4.718 -32.647 9.223 1.00 0.00 N ATOM 1567 NH2 ARG A 104 4.160 -34.205 7.634 1.00 0.00 N ATOM 0 H ARG A 104 10.425 -31.188 11.411 1.00 0.00 H new ATOM 0 HA ARG A 104 10.169 -33.719 9.929 1.00 0.00 H new ATOM 0 HB2 ARG A 104 9.142 -30.945 9.671 1.00 0.00 H new ATOM 0 HB3 ARG A 104 9.687 -31.651 8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 104 8.223 -33.708 8.869 1.00 0.00 H new ATOM 0 HG3 ARG A 104 7.472 -32.589 9.989 1.00 0.00 H new ATOM 0 HD2 ARG A 104 6.654 -31.197 8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 104 7.791 -31.825 7.081 1.00 0.00 H new ATOM 0 HE ARG A 104 6.348 -33.600 6.621 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.369 -31.955 9.593 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.840 -32.831 9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.381 -34.714 6.778 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.283 -34.385 8.123 1.00 0.00 H new ATOM 1581 N GLY A 105 12.649 -31.693 9.792 1.00 0.00 N ATOM 1582 CA GLY A 105 13.949 -31.465 9.190 1.00 0.00 C ATOM 1583 C GLY A 105 13.987 -30.201 8.354 1.00 0.00 C ATOM 1584 O GLY A 105 14.750 -30.108 7.392 1.00 0.00 O ATOM 0 H GLY A 105 12.494 -31.206 10.675 1.00 0.00 H new ATOM 0 HA2 GLY A 105 14.703 -31.401 9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 105 14.211 -32.318 8.565 1.00 0.00 H new ATOM 1588 N ILE A 106 13.163 -29.226 8.721 1.00 0.00 N ATOM 1589 CA ILE A 106 13.103 -27.959 7.998 1.00 0.00 C ATOM 1590 C ILE A 106 13.407 -26.785 8.924 1.00 0.00 C ATOM 1591 O ILE A 106 12.501 -26.200 9.517 1.00 0.00 O ATOM 1592 CB ILE A 106 11.719 -27.744 7.353 1.00 0.00 C ATOM 1593 CG1 ILE A 106 11.312 -28.974 6.539 1.00 0.00 C ATOM 1594 CG2 ILE A 106 11.732 -26.501 6.475 1.00 0.00 C ATOM 1595 CD1 ILE A 106 9.818 -29.219 6.523 1.00 0.00 C ATOM 0 H ILE A 106 12.526 -29.288 9.516 1.00 0.00 H new ATOM 0 HA ILE A 106 13.858 -28.006 7.213 1.00 0.00 H new ATOM 0 HB ILE A 106 10.985 -27.599 8.145 1.00 0.00 H new ATOM 0 HG12 ILE A 106 11.664 -28.855 5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 106 11.812 -29.852 6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.748 -26.362 6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 106 11.981 -25.630 7.081 1.00 0.00 H new ATOM 0 HG23 ILE A 106 12.476 -26.619 5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 106 9.601 -30.106 5.928 1.00 0.00 H new ATOM 0 HD12 ILE A 106 9.463 -29.370 7.542 1.00 0.00 H new ATOM 0 HD13 ILE A 106 9.313 -28.357 6.087 1.00 0.00 H new ATOM 1607 N THR A 107 14.687 -26.447 9.045 1.00 0.00 N ATOM 1608 CA THR A 107 15.110 -25.343 9.900 1.00 0.00 C ATOM 1609 C THR A 107 14.444 -24.038 9.475 1.00 0.00 C ATOM 1610 O THR A 107 14.293 -23.765 8.284 1.00 0.00 O ATOM 1611 CB THR A 107 16.631 -25.191 9.856 1.00 0.00 C ATOM 1612 OG1 THR A 107 17.073 -24.952 8.531 1.00 0.00 O ATOM 1613 CG2 THR A 107 17.369 -26.405 10.374 1.00 0.00 C ATOM 0 H THR A 107 15.450 -26.922 8.562 1.00 0.00 H new ATOM 0 HA THR A 107 14.803 -25.570 10.921 1.00 0.00 H new ATOM 0 HB THR A 107 16.855 -24.345 10.506 1.00 0.00 H new ATOM 0 HG1 THR A 107 18.048 -24.856 8.524 1.00 0.00 H new ATOM 0 HG21 THR A 107 18.443 -26.230 10.315 1.00 0.00 H new ATOM 0 HG22 THR A 107 17.088 -26.587 11.411 1.00 0.00 H new ATOM 0 HG23 THR A 107 17.109 -27.274 9.770 1.00 0.00 H new ATOM 1621 N PHE A 108 14.046 -23.234 10.457 1.00 0.00 N ATOM 1622 CA PHE A 108 13.397 -21.958 10.184 1.00 0.00 C ATOM 1623 C PHE A 108 13.909 -20.872 11.127 1.00 0.00 C ATOM 1624 O PHE A 108 13.215 -20.467 12.060 1.00 0.00 O ATOM 1625 CB PHE A 108 11.878 -22.094 10.318 1.00 0.00 C ATOM 1626 CG PHE A 108 11.433 -22.566 11.673 1.00 0.00 C ATOM 1627 CD1 PHE A 108 11.610 -23.887 12.054 1.00 0.00 C ATOM 1628 CD2 PHE A 108 10.836 -21.690 12.566 1.00 0.00 C ATOM 1629 CE1 PHE A 108 11.200 -24.324 13.300 1.00 0.00 C ATOM 1630 CE2 PHE A 108 10.425 -22.121 13.812 1.00 0.00 C ATOM 1631 CZ PHE A 108 10.608 -23.439 14.180 1.00 0.00 C ATOM 0 H PHE A 108 14.162 -23.445 11.448 1.00 0.00 H new ATOM 0 HA PHE A 108 13.639 -21.668 9.162 1.00 0.00 H new ATOM 0 HB2 PHE A 108 11.416 -21.129 10.109 1.00 0.00 H new ATOM 0 HB3 PHE A 108 11.516 -22.792 9.563 1.00 0.00 H new ATOM 0 HD1 PHE A 108 12.073 -24.583 11.370 1.00 0.00 H new ATOM 0 HD2 PHE A 108 10.690 -20.658 12.284 1.00 0.00 H new ATOM 0 HE1 PHE A 108 11.342 -25.356 13.585 1.00 0.00 H new ATOM 0 HE2 PHE A 108 9.961 -21.428 14.498 1.00 0.00 H new ATOM 0 HZ PHE A 108 10.289 -23.778 15.155 1.00 0.00 H new ATOM 1641 N LYS A 109 15.127 -20.404 10.877 1.00 0.00 N ATOM 1642 CA LYS A 109 15.730 -19.366 11.704 1.00 0.00 C ATOM 1643 C LYS A 109 15.187 -17.990 11.330 1.00 0.00 C ATOM 1644 O LYS A 109 14.414 -17.392 12.077 1.00 0.00 O ATOM 1645 CB LYS A 109 17.254 -19.388 11.559 1.00 0.00 C ATOM 1646 CG LYS A 109 17.991 -19.349 12.887 1.00 0.00 C ATOM 1647 CD LYS A 109 19.122 -20.364 12.928 1.00 0.00 C ATOM 1648 CE LYS A 109 20.104 -20.058 14.048 1.00 0.00 C ATOM 1649 NZ LYS A 109 20.992 -18.912 13.708 1.00 0.00 N ATOM 0 H LYS A 109 15.715 -20.727 10.109 1.00 0.00 H new ATOM 0 HA LYS A 109 15.471 -19.567 12.744 1.00 0.00 H new ATOM 0 HB2 LYS A 109 17.546 -20.287 11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 109 17.566 -18.536 10.955 1.00 0.00 H new ATOM 0 HG2 LYS A 109 18.392 -18.349 13.052 1.00 0.00 H new ATOM 0 HG3 LYS A 109 17.291 -19.550 13.698 1.00 0.00 H new ATOM 0 HD2 LYS A 109 18.710 -21.364 13.066 1.00 0.00 H new ATOM 0 HD3 LYS A 109 19.647 -20.365 11.973 1.00 0.00 H new ATOM 0 HE2 LYS A 109 19.554 -19.833 14.962 1.00 0.00 H new ATOM 0 HE3 LYS A 109 20.711 -20.940 14.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 21.743 -18.830 14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 21.420 -19.070 12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 20.434 -18.034 13.690 1.00 0.00 H new ATOM 1663 N GLN A 110 15.597 -17.494 10.166 1.00 0.00 N ATOM 1664 CA GLN A 110 15.150 -16.189 9.692 1.00 0.00 C ATOM 1665 C GLN A 110 14.466 -16.309 8.334 1.00 0.00 C ATOM 1666 O GLN A 110 14.475 -15.370 7.538 1.00 0.00 O ATOM 1667 CB GLN A 110 16.333 -15.224 9.597 1.00 0.00 C ATOM 1668 CG GLN A 110 15.921 -13.764 9.505 1.00 0.00 C ATOM 1669 CD GLN A 110 17.106 -12.819 9.548 1.00 0.00 C ATOM 1670 OE1 GLN A 110 18.091 -13.073 10.242 1.00 0.00 O ATOM 1671 NE2 GLN A 110 17.017 -11.723 8.806 1.00 0.00 N ATOM 0 H GLN A 110 16.237 -17.976 9.535 1.00 0.00 H new ATOM 0 HA GLN A 110 14.428 -15.798 10.409 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.972 -15.358 10.470 1.00 0.00 H new ATOM 0 HB3 GLN A 110 16.931 -15.480 8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.367 -13.604 8.580 1.00 0.00 H new ATOM 0 HG3 GLN A 110 15.244 -13.529 10.326 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.182 -11.553 8.246 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.784 -11.051 8.795 1.00 0.00 H new ATOM 1680 N SER A 111 13.874 -17.471 8.074 1.00 0.00 N ATOM 1681 CA SER A 111 13.185 -17.714 6.812 1.00 0.00 C ATOM 1682 C SER A 111 11.681 -17.845 7.029 1.00 0.00 C ATOM 1683 O SER A 111 10.887 -17.484 6.162 1.00 0.00 O ATOM 1684 CB SER A 111 13.730 -18.978 6.144 1.00 0.00 C ATOM 1685 OG SER A 111 14.693 -18.658 5.155 1.00 0.00 O ATOM 0 H SER A 111 13.858 -18.259 8.721 1.00 0.00 H new ATOM 0 HA SER A 111 13.365 -16.861 6.158 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.179 -19.626 6.897 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.910 -19.536 5.691 1.00 0.00 H new ATOM 0 HG SER A 111 15.027 -19.483 4.745 1.00 0.00 H new ATOM 1691 N ALA A 112 11.298 -18.367 8.190 1.00 0.00 N ATOM 1692 CA ALA A 112 9.889 -18.546 8.515 1.00 0.00 C ATOM 1693 C ALA A 112 9.586 -18.070 9.932 1.00 0.00 C ATOM 1694 O ALA A 112 9.962 -18.717 10.909 1.00 0.00 O ATOM 1695 CB ALA A 112 9.489 -20.004 8.351 1.00 0.00 C ATOM 0 H ALA A 112 11.942 -18.672 8.919 1.00 0.00 H new ATOM 0 HA ALA A 112 9.304 -17.940 7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.434 -20.122 8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 112 9.658 -20.314 7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 112 10.089 -20.623 9.018 1.00 0.00 H new ATOM 1701 N THR A 113 8.904 -16.933 10.036 1.00 0.00 N ATOM 1702 CA THR A 113 8.550 -16.372 11.334 1.00 0.00 C ATOM 1703 C THR A 113 7.328 -17.072 11.919 1.00 0.00 C ATOM 1704 O THR A 113 7.457 -17.946 12.776 1.00 0.00 O ATOM 1705 CB THR A 113 8.287 -14.870 11.211 1.00 0.00 C ATOM 1706 OG1 THR A 113 7.391 -14.600 10.146 1.00 0.00 O ATOM 1707 CG2 THR A 113 9.545 -14.066 10.974 1.00 0.00 C ATOM 0 H THR A 113 8.586 -16.383 9.238 1.00 0.00 H new ATOM 0 HA THR A 113 9.390 -16.531 12.010 1.00 0.00 H new ATOM 0 HB THR A 113 7.857 -14.570 12.167 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.235 -13.634 10.086 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.292 -13.009 10.896 1.00 0.00 H new ATOM 0 HG22 THR A 113 10.233 -14.214 11.806 1.00 0.00 H new ATOM 0 HG23 THR A 113 10.018 -14.395 10.049 1.00 0.00 H new ATOM 1715 N LYS A 114 6.142 -16.685 11.455 1.00 0.00 N ATOM 1716 CA LYS A 114 4.908 -17.287 11.947 1.00 0.00 C ATOM 1717 C LYS A 114 3.888 -17.476 10.833 1.00 0.00 C ATOM 1718 O LYS A 114 3.176 -18.477 10.800 1.00 0.00 O ATOM 1719 CB LYS A 114 4.308 -16.437 13.069 1.00 0.00 C ATOM 1720 CG LYS A 114 4.027 -15.001 12.659 1.00 0.00 C ATOM 1721 CD LYS A 114 3.218 -14.267 13.715 1.00 0.00 C ATOM 1722 CE LYS A 114 4.095 -13.808 14.869 1.00 0.00 C ATOM 1723 NZ LYS A 114 4.112 -14.798 15.981 1.00 0.00 N ATOM 0 H LYS A 114 6.011 -15.964 10.746 1.00 0.00 H new ATOM 0 HA LYS A 114 5.160 -18.272 12.339 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.380 -16.898 13.406 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.991 -16.437 13.918 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.969 -14.478 12.493 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.486 -14.991 11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.727 -13.405 13.264 1.00 0.00 H new ATOM 0 HD3 LYS A 114 2.431 -14.921 14.092 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.112 -13.647 14.511 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.733 -12.850 15.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 3.627 -14.398 16.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 3.624 -15.666 15.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.096 -15.023 16.231 1.00 0.00 H new ATOM 1737 N ALA A 115 3.819 -16.521 9.919 1.00 0.00 N ATOM 1738 CA ALA A 115 2.885 -16.618 8.810 1.00 0.00 C ATOM 1739 C ALA A 115 3.454 -17.501 7.707 1.00 0.00 C ATOM 1740 O ALA A 115 2.715 -18.030 6.877 1.00 0.00 O ATOM 1741 CB ALA A 115 2.550 -15.236 8.271 1.00 0.00 C ATOM 0 H ALA A 115 4.393 -15.678 9.923 1.00 0.00 H new ATOM 0 HA ALA A 115 1.965 -17.075 9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 115 1.849 -15.329 7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 115 2.098 -14.637 9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 115 3.462 -14.750 7.923 1.00 0.00 H new ATOM 1747 N GLU A 116 4.774 -17.657 7.706 1.00 0.00 N ATOM 1748 CA GLU A 116 5.442 -18.476 6.706 1.00 0.00 C ATOM 1749 C GLU A 116 5.475 -19.945 7.111 1.00 0.00 C ATOM 1750 O GLU A 116 5.314 -20.824 6.266 1.00 0.00 O ATOM 1751 CB GLU A 116 6.864 -17.969 6.464 1.00 0.00 C ATOM 1752 CG GLU A 116 6.930 -16.496 6.097 1.00 0.00 C ATOM 1753 CD GLU A 116 6.437 -16.223 4.690 1.00 0.00 C ATOM 1754 OE1 GLU A 116 6.888 -16.922 3.758 1.00 0.00 O ATOM 1755 OE2 GLU A 116 5.600 -15.312 4.520 1.00 0.00 O ATOM 0 H GLU A 116 5.400 -17.227 8.387 1.00 0.00 H new ATOM 0 HA GLU A 116 4.869 -18.395 5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 116 7.459 -18.138 7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 116 7.319 -18.555 5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 116 6.332 -15.922 6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 116 7.958 -16.148 6.192 1.00 0.00 H new ATOM 1762 N LEU A 117 5.690 -20.219 8.399 1.00 0.00 N ATOM 1763 CA LEU A 117 5.744 -21.603 8.860 1.00 0.00 C ATOM 1764 C LEU A 117 4.354 -22.184 9.038 1.00 0.00 C ATOM 1765 O LEU A 117 4.184 -23.401 9.034 1.00 0.00 O ATOM 1766 CB LEU A 117 6.628 -21.784 10.114 1.00 0.00 C ATOM 1767 CG LEU A 117 6.108 -21.332 11.485 1.00 0.00 C ATOM 1768 CD1 LEU A 117 7.273 -20.818 12.320 1.00 0.00 C ATOM 1769 CD2 LEU A 117 5.035 -20.275 11.383 1.00 0.00 C ATOM 0 H LEU A 117 5.827 -19.517 9.126 1.00 0.00 H new ATOM 0 HA LEU A 117 6.233 -22.178 8.073 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.870 -22.844 10.191 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.564 -21.256 9.931 1.00 0.00 H new ATOM 0 HG LEU A 117 5.650 -22.197 11.965 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.908 -20.496 13.295 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.005 -21.614 12.452 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.741 -19.975 11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 117 4.705 -19.994 12.383 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.435 -19.399 10.873 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.189 -20.668 10.819 1.00 0.00 H new ATOM 1781 N ILE A 118 3.352 -21.322 9.153 1.00 0.00 N ATOM 1782 CA ILE A 118 1.986 -21.796 9.279 1.00 0.00 C ATOM 1783 C ILE A 118 1.420 -22.096 7.892 1.00 0.00 C ATOM 1784 O ILE A 118 0.559 -22.961 7.735 1.00 0.00 O ATOM 1785 CB ILE A 118 1.078 -20.793 10.034 1.00 0.00 C ATOM 1786 CG1 ILE A 118 -0.303 -21.412 10.288 1.00 0.00 C ATOM 1787 CG2 ILE A 118 0.947 -19.468 9.290 1.00 0.00 C ATOM 1788 CD1 ILE A 118 -1.228 -21.384 9.088 1.00 0.00 C ATOM 0 H ILE A 118 3.459 -20.308 9.161 1.00 0.00 H new ATOM 0 HA ILE A 118 2.004 -22.709 9.875 1.00 0.00 H new ATOM 0 HB ILE A 118 1.551 -20.578 10.992 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -0.172 -22.446 10.607 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -0.780 -20.882 11.112 1.00 0.00 H new ATOM 0 HG21 ILE A 118 0.302 -18.795 9.855 1.00 0.00 H new ATOM 0 HG22 ILE A 118 1.932 -19.016 9.176 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.513 -19.645 8.306 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.182 -21.840 9.353 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -1.393 -20.352 8.780 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -0.776 -21.940 8.267 1.00 0.00 H new ATOM 1800 N ALA A 119 1.939 -21.391 6.883 1.00 0.00 N ATOM 1801 CA ALA A 119 1.520 -21.592 5.501 1.00 0.00 C ATOM 1802 C ALA A 119 2.344 -22.691 4.834 1.00 0.00 C ATOM 1803 O ALA A 119 1.856 -23.413 3.964 1.00 0.00 O ATOM 1804 CB ALA A 119 1.637 -20.293 4.719 1.00 0.00 C ATOM 0 H ALA A 119 2.654 -20.673 7.003 1.00 0.00 H new ATOM 0 HA ALA A 119 0.476 -21.906 5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.321 -20.459 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.002 -19.535 5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.673 -19.953 4.730 1.00 0.00 H new ATOM 1810 N LEU A 120 3.612 -22.787 5.238 1.00 0.00 N ATOM 1811 CA LEU A 120 4.539 -23.769 4.675 1.00 0.00 C ATOM 1812 C LEU A 120 3.946 -25.172 4.643 1.00 0.00 C ATOM 1813 O LEU A 120 4.086 -25.885 3.650 1.00 0.00 O ATOM 1814 CB LEU A 120 5.846 -23.780 5.470 1.00 0.00 C ATOM 1815 CG LEU A 120 7.020 -24.471 4.774 1.00 0.00 C ATOM 1816 CD1 LEU A 120 7.424 -23.707 3.523 1.00 0.00 C ATOM 1817 CD2 LEU A 120 8.199 -24.604 5.726 1.00 0.00 C ATOM 0 H LEU A 120 4.022 -22.192 5.958 1.00 0.00 H new ATOM 0 HA LEU A 120 4.735 -23.470 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.129 -22.751 5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 120 5.668 -24.273 6.426 1.00 0.00 H new ATOM 0 HG LEU A 120 6.705 -25.471 4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.260 -24.214 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.580 -23.665 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.721 -22.694 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.025 -25.098 5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.515 -23.614 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.902 -25.196 6.592 1.00 0.00 H new ATOM 1829 N PHE A 121 3.298 -25.579 5.726 1.00 0.00 N ATOM 1830 CA PHE A 121 2.707 -26.913 5.785 1.00 0.00 C ATOM 1831 C PHE A 121 1.526 -27.040 4.823 1.00 0.00 C ATOM 1832 O PHE A 121 0.374 -27.122 5.251 1.00 0.00 O ATOM 1833 CB PHE A 121 2.250 -27.241 7.205 1.00 0.00 C ATOM 1834 CG PHE A 121 3.380 -27.357 8.179 1.00 0.00 C ATOM 1835 CD1 PHE A 121 3.831 -26.243 8.856 1.00 0.00 C ATOM 1836 CD2 PHE A 121 3.994 -28.577 8.415 1.00 0.00 C ATOM 1837 CE1 PHE A 121 4.871 -26.336 9.752 1.00 0.00 C ATOM 1838 CE2 PHE A 121 5.036 -28.676 9.312 1.00 0.00 C ATOM 1839 CZ PHE A 121 5.473 -27.553 9.981 1.00 0.00 C ATOM 0 H PHE A 121 3.168 -25.015 6.566 1.00 0.00 H new ATOM 0 HA PHE A 121 3.477 -27.624 5.485 1.00 0.00 H new ATOM 0 HB2 PHE A 121 1.564 -26.466 7.546 1.00 0.00 H new ATOM 0 HB3 PHE A 121 1.693 -28.178 7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.362 -25.286 8.681 1.00 0.00 H new ATOM 0 HD2 PHE A 121 3.653 -29.458 7.891 1.00 0.00 H new ATOM 0 HE1 PHE A 121 5.215 -25.456 10.275 1.00 0.00 H new ATOM 0 HE2 PHE A 121 5.509 -29.631 9.490 1.00 0.00 H new ATOM 0 HZ PHE A 121 6.288 -27.628 10.685 1.00 0.00 H new