USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=13 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 -4:sc= 0.811 USER MOD Single : A 9 CYS SG : rot 56:sc= -0.271 USER MOD Single : A 13 GLN : amide:sc= -0.0265 K(o=-0.027,f=-1.1) USER MOD Single : A 14 ASN : amide:sc= -1.63 K(o=-1.6,f=-4.2!) USER MOD Single : A 32 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.49) 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 180:sc= -0.514 USER MOD Single : A 41 GLN : amide:sc= -12.6! C(o=-13!,f=-15!) USER MOD Single : A 44 GLN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0743 K(o=-0.074,f=-2.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0305 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0656 USER MOD Single : A 96 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.5!) USER MOD Single : A 98 LYS NZ :NH3+ 159:sc= -1.16 (180deg=-1.41) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot -89:sc= 1.22 USER MOD Single : A 107 THR OG1 : rot 180:sc=-0.00403 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.771 X(o=-0.77,f=-0.44) USER MOD Single : A 111 SER OG : rot 180:sc= 0.0649 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 16.166 1.898 13.074 1.00 0.00 N ATOM 91 CA THR A 7 15.929 2.198 11.667 1.00 0.00 C ATOM 92 C THR A 7 16.043 0.934 10.821 1.00 0.00 C ATOM 93 O THR A 7 16.996 0.169 10.961 1.00 0.00 O ATOM 94 CB THR A 7 16.914 3.255 11.171 1.00 0.00 C ATOM 95 OG1 THR A 7 17.765 3.687 12.218 1.00 0.00 O ATOM 96 CG2 THR A 7 16.221 4.471 10.610 1.00 0.00 C ATOM 0 HA THR A 7 14.917 2.591 11.569 1.00 0.00 H new ATOM 0 HB THR A 7 17.490 2.775 10.380 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.494 3.259 13.057 1.00 0.00 H new ATOM 0 HG21 THR A 7 16.966 5.191 10.272 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.593 4.176 9.769 1.00 0.00 H new ATOM 0 HG23 THR A 7 15.602 4.926 11.383 1.00 0.00 H new ATOM 104 N PHE A 8 15.063 0.716 9.951 1.00 0.00 N ATOM 105 CA PHE A 8 15.061 -0.467 9.097 1.00 0.00 C ATOM 106 C PHE A 8 14.472 -0.193 7.716 1.00 0.00 C ATOM 107 O PHE A 8 13.510 0.559 7.568 1.00 0.00 O ATOM 108 CB PHE A 8 14.277 -1.603 9.761 1.00 0.00 C ATOM 109 CG PHE A 8 12.993 -1.177 10.429 1.00 0.00 C ATOM 110 CD1 PHE A 8 12.336 -0.008 10.062 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.438 -1.962 11.428 1.00 0.00 C ATOM 112 CE1 PHE A 8 11.158 0.364 10.681 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.261 -1.592 12.049 1.00 0.00 C ATOM 114 CZ PHE A 8 10.621 -0.428 11.675 1.00 0.00 C ATOM 0 H PHE A 8 14.265 1.338 9.819 1.00 0.00 H new ATOM 0 HA PHE A 8 16.104 -0.756 8.964 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.046 -2.356 9.007 1.00 0.00 H new ATOM 0 HB3 PHE A 8 14.916 -2.081 10.504 1.00 0.00 H new ATOM 0 HD1 PHE A 8 12.751 0.616 9.284 1.00 0.00 H new ATOM 0 HD2 PHE A 8 12.933 -2.875 11.725 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.658 1.275 10.387 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.842 -2.213 12.827 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.701 -0.137 12.160 1.00 0.00 H new ATOM 124 N CYS A 9 15.031 -0.849 6.709 1.00 0.00 N ATOM 125 CA CYS A 9 14.535 -0.720 5.349 1.00 0.00 C ATOM 126 C CYS A 9 13.463 -1.785 5.126 1.00 0.00 C ATOM 127 O CYS A 9 13.675 -2.955 5.446 1.00 0.00 O ATOM 128 CB CYS A 9 15.688 -0.875 4.344 1.00 0.00 C ATOM 129 SG CYS A 9 15.194 -1.425 2.689 1.00 0.00 S ATOM 0 H CYS A 9 15.829 -1.476 6.810 1.00 0.00 H new ATOM 0 HA CYS A 9 14.101 0.268 5.197 1.00 0.00 H new ATOM 0 HB2 CYS A 9 16.202 0.082 4.254 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.408 -1.587 4.747 1.00 0.00 H new ATOM 0 HG CYS A 9 14.303 -0.610 2.209 1.00 0.00 H new ATOM 135 N VAL A 10 12.306 -1.387 4.611 1.00 0.00 N ATOM 136 CA VAL A 10 11.217 -2.335 4.395 1.00 0.00 C ATOM 137 C VAL A 10 10.970 -2.593 2.922 1.00 0.00 C ATOM 138 O VAL A 10 11.231 -1.748 2.077 1.00 0.00 O ATOM 139 CB VAL A 10 9.904 -1.851 5.061 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.853 -1.423 4.036 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.346 -2.932 5.968 1.00 0.00 C ATOM 0 H VAL A 10 12.098 -0.427 4.338 1.00 0.00 H new ATOM 0 HA VAL A 10 11.529 -3.270 4.861 1.00 0.00 H new ATOM 0 HB VAL A 10 10.150 -0.971 5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.953 -1.093 4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.245 -0.604 3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.611 -2.266 3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.424 -2.579 6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.139 -3.828 5.382 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.074 -3.167 6.745 1.00 0.00 H new ATOM 151 N VAL A 11 10.455 -3.770 2.628 1.00 0.00 N ATOM 152 CA VAL A 11 10.158 -4.143 1.264 1.00 0.00 C ATOM 153 C VAL A 11 8.825 -4.870 1.194 1.00 0.00 C ATOM 154 O VAL A 11 8.722 -6.047 1.542 1.00 0.00 O ATOM 155 CB VAL A 11 11.290 -5.002 0.681 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.755 -6.028 1.695 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.877 -5.663 -0.628 1.00 0.00 C ATOM 0 H VAL A 11 10.234 -4.486 3.320 1.00 0.00 H new ATOM 0 HA VAL A 11 10.082 -3.238 0.662 1.00 0.00 H new ATOM 0 HB VAL A 11 12.128 -4.343 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.557 -6.627 1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.121 -5.519 2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.922 -6.677 1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.704 -6.262 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.013 -6.305 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.618 -4.895 -1.357 1.00 0.00 H new ATOM 167 N VAL A 12 7.803 -4.147 0.760 1.00 0.00 N ATOM 168 CA VAL A 12 6.462 -4.694 0.658 1.00 0.00 C ATOM 169 C VAL A 12 6.204 -5.262 -0.730 1.00 0.00 C ATOM 170 O VAL A 12 6.452 -4.603 -1.738 1.00 0.00 O ATOM 171 CB VAL A 12 5.410 -3.613 0.964 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.016 -4.208 0.958 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.710 -2.946 2.299 1.00 0.00 C ATOM 0 H VAL A 12 7.881 -3.172 0.471 1.00 0.00 H new ATOM 0 HA VAL A 12 6.382 -5.498 1.390 1.00 0.00 H new ATOM 0 HB VAL A 12 5.455 -2.853 0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.287 -3.428 1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.807 -4.636 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.950 -4.989 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.958 -2.184 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.692 -3.694 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.696 -2.482 2.261 1.00 0.00 H new ATOM 183 N GLN A 13 5.702 -6.491 -0.773 1.00 0.00 N ATOM 184 CA GLN A 13 5.409 -7.153 -2.038 1.00 0.00 C ATOM 185 C GLN A 13 3.959 -7.618 -2.084 1.00 0.00 C ATOM 186 O GLN A 13 3.587 -8.591 -1.427 1.00 0.00 O ATOM 187 CB GLN A 13 6.346 -8.344 -2.246 1.00 0.00 C ATOM 188 CG GLN A 13 6.286 -8.926 -3.649 1.00 0.00 C ATOM 189 CD GLN A 13 6.757 -10.367 -3.702 1.00 0.00 C ATOM 190 OE1 GLN A 13 7.324 -10.884 -2.739 1.00 0.00 O ATOM 191 NE2 GLN A 13 6.526 -11.024 -4.834 1.00 0.00 N ATOM 0 H GLN A 13 5.490 -7.049 0.054 1.00 0.00 H new ATOM 0 HA GLN A 13 5.567 -6.433 -2.841 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.369 -8.033 -2.034 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.095 -9.124 -1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.262 -8.868 -4.019 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.901 -8.322 -4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.053 -10.557 -5.607 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.822 -11.995 -4.929 1.00 0.00 H new ATOM 200 N ASN A 14 3.143 -6.921 -2.868 1.00 0.00 N ATOM 201 CA ASN A 14 1.733 -7.269 -3.001 1.00 0.00 C ATOM 202 C ASN A 14 1.505 -8.124 -4.237 1.00 0.00 C ATOM 203 O ASN A 14 2.172 -7.952 -5.257 1.00 0.00 O ATOM 204 CB ASN A 14 0.858 -6.015 -3.090 1.00 0.00 C ATOM 205 CG ASN A 14 1.459 -4.822 -2.375 1.00 0.00 C ATOM 206 OD1 ASN A 14 1.853 -4.910 -1.212 1.00 0.00 O ATOM 207 ND2 ASN A 14 1.532 -3.696 -3.074 1.00 0.00 N ATOM 0 H ASN A 14 3.433 -6.114 -3.420 1.00 0.00 H new ATOM 0 HA ASN A 14 1.453 -7.833 -2.111 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.701 -5.762 -4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.122 -6.231 -2.664 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.927 -2.857 -2.650 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.193 -3.670 -4.036 1.00 0.00 H new ATOM 482 N ASP A 31 7.233 -5.084 -5.831 1.00 0.00 N ATOM 483 CA ASP A 31 7.921 -4.930 -4.553 1.00 0.00 C ATOM 484 C ASP A 31 8.652 -3.594 -4.483 1.00 0.00 C ATOM 485 O ASP A 31 9.374 -3.222 -5.408 1.00 0.00 O ATOM 486 CB ASP A 31 8.909 -6.077 -4.337 1.00 0.00 C ATOM 487 CG ASP A 31 9.727 -6.379 -5.578 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.606 -5.561 -5.923 1.00 0.00 O ATOM 489 OD2 ASP A 31 9.489 -7.434 -6.204 1.00 0.00 O ATOM 0 HA ASP A 31 7.170 -4.954 -3.763 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.580 -5.825 -3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.363 -6.972 -4.039 1.00 0.00 H new ATOM 494 N ASN A 32 8.461 -2.873 -3.380 1.00 0.00 N ATOM 495 CA ASN A 32 9.108 -1.576 -3.195 1.00 0.00 C ATOM 496 C ASN A 32 9.877 -1.525 -1.879 1.00 0.00 C ATOM 497 O ASN A 32 9.351 -1.893 -0.830 1.00 0.00 O ATOM 498 CB ASN A 32 8.067 -0.454 -3.233 1.00 0.00 C ATOM 499 CG ASN A 32 7.953 0.181 -4.604 1.00 0.00 C ATOM 500 OD1 ASN A 32 8.958 0.455 -5.259 1.00 0.00 O ATOM 501 ND2 ASN A 32 6.723 0.419 -5.045 1.00 0.00 N ATOM 0 H ASN A 32 7.866 -3.163 -2.604 1.00 0.00 H new ATOM 0 HA ASN A 32 9.817 -1.437 -4.011 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.096 -0.852 -2.938 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.333 0.310 -2.503 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.583 0.846 -5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.918 0.175 -4.468 1.00 0.00 H new ATOM 508 N SER A 33 11.125 -1.062 -1.941 1.00 0.00 N ATOM 509 CA SER A 33 11.965 -0.961 -0.753 1.00 0.00 C ATOM 510 C SER A 33 11.753 0.369 -0.041 1.00 0.00 C ATOM 511 O SER A 33 11.511 1.398 -0.672 1.00 0.00 O ATOM 512 CB SER A 33 13.442 -1.111 -1.109 1.00 0.00 C ATOM 513 OG SER A 33 13.695 -2.354 -1.738 1.00 0.00 O ATOM 0 H SER A 33 11.575 -0.751 -2.802 1.00 0.00 H new ATOM 0 HA SER A 33 11.675 -1.772 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.743 -0.298 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.046 -1.028 -0.206 1.00 0.00 H new ATOM 0 HG SER A 33 14.648 -2.422 -1.956 1.00 0.00 H new ATOM 519 N LEU A 34 11.848 0.328 1.277 1.00 0.00 N ATOM 520 CA LEU A 34 11.669 1.511 2.106 1.00 0.00 C ATOM 521 C LEU A 34 12.976 1.852 2.826 1.00 0.00 C ATOM 522 O LEU A 34 13.693 0.964 3.278 1.00 0.00 O ATOM 523 CB LEU A 34 10.523 1.257 3.108 1.00 0.00 C ATOM 524 CG LEU A 34 10.439 2.180 4.316 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.385 1.682 5.395 1.00 0.00 C ATOM 526 CD2 LEU A 34 10.724 3.626 3.939 1.00 0.00 C ATOM 0 H LEU A 34 12.051 -0.522 1.803 1.00 0.00 H new ATOM 0 HA LEU A 34 11.404 2.365 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.579 1.323 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.612 0.233 3.471 1.00 0.00 H new ATOM 0 HG LEU A 34 9.421 2.161 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.327 2.341 6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.102 0.671 5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.405 1.677 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.655 4.254 4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.727 3.702 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.995 3.960 3.201 1.00 0.00 H new ATOM 538 N ALA A 35 13.274 3.143 2.934 1.00 0.00 N ATOM 539 CA ALA A 35 14.477 3.611 3.601 1.00 0.00 C ATOM 540 C ALA A 35 14.366 3.391 5.097 1.00 0.00 C ATOM 541 O ALA A 35 13.275 3.259 5.633 1.00 0.00 O ATOM 542 CB ALA A 35 14.721 5.075 3.299 1.00 0.00 C ATOM 0 H ALA A 35 12.688 3.890 2.562 1.00 0.00 H new ATOM 0 HA ALA A 35 15.325 3.039 3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.626 5.406 3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.839 5.210 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.873 5.665 3.648 1.00 0.00 H new ATOM 548 N ALA A 36 15.493 3.324 5.771 1.00 0.00 N ATOM 549 CA ALA A 36 15.484 3.067 7.202 1.00 0.00 C ATOM 550 C ALA A 36 14.916 4.248 7.973 1.00 0.00 C ATOM 551 O ALA A 36 15.479 5.343 7.988 1.00 0.00 O ATOM 552 CB ALA A 36 16.888 2.743 7.689 1.00 0.00 C ATOM 0 H ALA A 36 16.420 3.442 5.361 1.00 0.00 H new ATOM 0 HA ALA A 36 14.839 2.207 7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.866 2.553 8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.258 1.858 7.171 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.548 3.586 7.483 1.00 0.00 H new ATOM 558 N VAL A 37 13.767 3.993 8.602 1.00 0.00 N ATOM 559 CA VAL A 37 13.053 4.994 9.383 1.00 0.00 C ATOM 560 C VAL A 37 12.741 4.468 10.782 1.00 0.00 C ATOM 561 O VAL A 37 12.882 3.276 11.051 1.00 0.00 O ATOM 562 CB VAL A 37 11.729 5.385 8.693 1.00 0.00 C ATOM 563 CG1 VAL A 37 11.125 6.625 9.330 1.00 0.00 C ATOM 564 CG2 VAL A 37 11.939 5.590 7.199 1.00 0.00 C ATOM 0 H VAL A 37 13.308 3.083 8.581 1.00 0.00 H new ATOM 0 HA VAL A 37 13.697 5.870 9.458 1.00 0.00 H new ATOM 0 HB VAL A 37 11.025 4.564 8.828 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.193 6.877 8.824 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.925 6.432 10.384 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.823 7.457 9.240 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.993 5.865 6.733 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.667 6.386 7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.308 4.666 6.753 1.00 0.00 H new ATOM 574 N SER A 38 12.317 5.364 11.669 1.00 0.00 N ATOM 575 CA SER A 38 11.987 4.989 13.040 1.00 0.00 C ATOM 576 C SER A 38 10.981 3.840 13.082 1.00 0.00 C ATOM 577 O SER A 38 11.219 2.823 13.733 1.00 0.00 O ATOM 578 CB SER A 38 11.431 6.196 13.798 1.00 0.00 C ATOM 579 OG SER A 38 11.913 6.226 15.130 1.00 0.00 O ATOM 0 H SER A 38 12.194 6.355 11.462 1.00 0.00 H new ATOM 0 HA SER A 38 12.905 4.650 13.521 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.715 7.115 13.284 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.342 6.157 13.803 1.00 0.00 H new ATOM 0 HG SER A 38 11.545 7.007 15.593 1.00 0.00 H new ATOM 585 N GLU A 39 9.853 4.006 12.394 1.00 0.00 N ATOM 586 CA GLU A 39 8.819 2.971 12.373 1.00 0.00 C ATOM 587 C GLU A 39 7.648 3.339 11.458 1.00 0.00 C ATOM 588 O GLU A 39 6.893 2.464 11.035 1.00 0.00 O ATOM 589 CB GLU A 39 8.305 2.713 13.791 1.00 0.00 C ATOM 590 CG GLU A 39 8.132 1.238 14.116 1.00 0.00 C ATOM 591 CD GLU A 39 7.115 0.998 15.214 1.00 0.00 C ATOM 592 OE1 GLU A 39 7.454 1.219 16.395 1.00 0.00 O ATOM 593 OE2 GLU A 39 5.978 0.590 14.893 1.00 0.00 O ATOM 0 H GLU A 39 9.632 4.839 11.848 1.00 0.00 H new ATOM 0 HA GLU A 39 9.277 2.066 11.974 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.999 3.155 14.506 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.348 3.220 13.920 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.823 0.706 13.217 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.093 0.821 14.418 1.00 0.00 H new ATOM 600 N SER A 40 7.491 4.631 11.161 1.00 0.00 N ATOM 601 CA SER A 40 6.402 5.098 10.301 1.00 0.00 C ATOM 602 C SER A 40 6.208 4.179 9.095 1.00 0.00 C ATOM 603 O SER A 40 5.089 3.990 8.620 1.00 0.00 O ATOM 604 CB SER A 40 6.679 6.526 9.827 1.00 0.00 C ATOM 605 OG SER A 40 8.071 6.783 9.767 1.00 0.00 O ATOM 0 H SER A 40 8.104 5.371 11.503 1.00 0.00 H new ATOM 0 HA SER A 40 5.484 5.083 10.889 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.235 6.678 8.843 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.204 7.236 10.504 1.00 0.00 H new ATOM 0 HG SER A 40 8.221 7.701 9.460 1.00 0.00 H new ATOM 611 N GLN A 41 7.306 3.608 8.614 1.00 0.00 N ATOM 612 CA GLN A 41 7.268 2.701 7.471 1.00 0.00 C ATOM 613 C GLN A 41 6.366 1.503 7.760 1.00 0.00 C ATOM 614 O GLN A 41 5.415 1.234 7.025 1.00 0.00 O ATOM 615 CB GLN A 41 8.695 2.242 7.132 1.00 0.00 C ATOM 616 CG GLN A 41 8.847 0.749 6.852 1.00 0.00 C ATOM 617 CD GLN A 41 9.794 0.073 7.822 1.00 0.00 C ATOM 618 OE1 GLN A 41 10.995 0.333 7.816 1.00 0.00 O ATOM 619 NE2 GLN A 41 9.255 -0.802 8.662 1.00 0.00 N ATOM 0 H GLN A 41 8.238 3.758 8.999 1.00 0.00 H new ATOM 0 HA GLN A 41 6.852 3.228 6.612 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.040 2.796 6.259 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.352 2.509 7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.870 0.270 6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.212 0.608 5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.252 -0.987 8.632 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.843 -1.289 9.338 1.00 0.00 H new ATOM 628 N LEU A 42 6.690 0.775 8.823 1.00 0.00 N ATOM 629 CA LEU A 42 5.932 -0.413 9.204 1.00 0.00 C ATOM 630 C LEU A 42 4.442 -0.119 9.332 1.00 0.00 C ATOM 631 O LEU A 42 3.615 -0.774 8.696 1.00 0.00 O ATOM 632 CB LEU A 42 6.462 -0.975 10.525 1.00 0.00 C ATOM 633 CG LEU A 42 5.766 -2.246 11.014 1.00 0.00 C ATOM 634 CD1 LEU A 42 6.403 -3.479 10.390 1.00 0.00 C ATOM 635 CD2 LEU A 42 5.816 -2.329 12.531 1.00 0.00 C ATOM 0 H LEU A 42 7.475 0.987 9.439 1.00 0.00 H new ATOM 0 HA LEU A 42 6.061 -1.151 8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.526 -1.182 10.413 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.366 -0.208 11.293 1.00 0.00 H new ATOM 0 HG LEU A 42 4.721 -2.207 10.705 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.894 -4.373 10.750 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.316 -3.424 9.305 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.456 -3.524 10.667 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.316 -3.239 12.862 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.855 -2.345 12.860 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.313 -1.462 12.960 1.00 0.00 H new ATOM 647 N ALA A 43 4.101 0.859 10.158 1.00 0.00 N ATOM 648 CA ALA A 43 2.709 1.223 10.370 1.00 0.00 C ATOM 649 C ALA A 43 2.094 1.831 9.116 1.00 0.00 C ATOM 650 O ALA A 43 0.897 1.687 8.869 1.00 0.00 O ATOM 651 CB ALA A 43 2.592 2.183 11.536 1.00 0.00 C ATOM 0 H ALA A 43 4.769 1.414 10.692 1.00 0.00 H new ATOM 0 HA ALA A 43 2.155 0.313 10.602 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.545 2.448 11.685 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.978 1.708 12.438 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.168 3.084 11.325 1.00 0.00 H new ATOM 657 N GLN A 44 2.917 2.510 8.323 1.00 0.00 N ATOM 658 CA GLN A 44 2.443 3.136 7.093 1.00 0.00 C ATOM 659 C GLN A 44 1.710 2.122 6.221 1.00 0.00 C ATOM 660 O GLN A 44 0.561 2.335 5.835 1.00 0.00 O ATOM 661 CB GLN A 44 3.615 3.743 6.317 1.00 0.00 C ATOM 662 CG GLN A 44 3.794 5.233 6.556 1.00 0.00 C ATOM 663 CD GLN A 44 2.880 6.076 5.688 1.00 0.00 C ATOM 664 OE1 GLN A 44 3.266 6.520 4.607 1.00 0.00 O ATOM 665 NE2 GLN A 44 1.659 6.303 6.159 1.00 0.00 N ATOM 0 H GLN A 44 3.911 2.641 8.509 1.00 0.00 H new ATOM 0 HA GLN A 44 1.748 3.931 7.362 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.533 3.225 6.597 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.464 3.570 5.252 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.599 5.455 7.605 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.830 5.507 6.359 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.380 5.916 7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.000 6.865 5.619 1.00 0.00 H new ATOM 674 N LEU A 45 2.381 1.015 5.921 1.00 0.00 N ATOM 675 CA LEU A 45 1.794 -0.035 5.100 1.00 0.00 C ATOM 676 C LEU A 45 0.843 -0.902 5.917 1.00 0.00 C ATOM 677 O LEU A 45 -0.319 -1.083 5.554 1.00 0.00 O ATOM 678 CB LEU A 45 2.891 -0.896 4.481 1.00 0.00 C ATOM 679 CG LEU A 45 3.492 -0.334 3.191 1.00 0.00 C ATOM 680 CD1 LEU A 45 5.003 -0.202 3.306 1.00 0.00 C ATOM 681 CD2 LEU A 45 3.108 -1.196 1.998 1.00 0.00 C ATOM 0 H LEU A 45 3.332 0.823 6.235 1.00 0.00 H new ATOM 0 HA LEU A 45 1.222 0.439 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.689 -1.025 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.485 -1.886 4.275 1.00 0.00 H new ATOM 0 HG LEU A 45 3.082 0.664 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.405 0.200 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.248 0.471 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.440 -1.182 3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.546 -0.778 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.480 -2.210 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.023 -1.219 1.900 1.00 0.00 H new ATOM 692 N LYS A 46 1.351 -1.439 7.021 1.00 0.00 N ATOM 693 CA LYS A 46 0.559 -2.295 7.902 1.00 0.00 C ATOM 694 C LYS A 46 -0.786 -1.656 8.243 1.00 0.00 C ATOM 695 O LYS A 46 -1.753 -2.353 8.552 1.00 0.00 O ATOM 696 CB LYS A 46 1.330 -2.589 9.190 1.00 0.00 C ATOM 697 CG LYS A 46 0.970 -3.923 9.824 1.00 0.00 C ATOM 698 CD LYS A 46 1.952 -4.303 10.919 1.00 0.00 C ATOM 699 CE LYS A 46 1.308 -5.212 11.954 1.00 0.00 C ATOM 700 NZ LYS A 46 1.774 -4.902 13.334 1.00 0.00 N ATOM 0 H LYS A 46 2.313 -1.297 7.330 1.00 0.00 H new ATOM 0 HA LYS A 46 0.369 -3.228 7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.399 -2.575 8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.139 -1.792 9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.036 -3.870 10.239 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.959 -4.699 9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.814 -4.805 10.478 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.323 -3.401 11.406 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.224 -5.107 11.905 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.539 -6.251 11.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.311 -5.544 14.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.805 -5.027 13.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.531 -3.918 13.570 1.00 0.00 H new ATOM 714 N ALA A 47 -0.841 -0.325 8.191 1.00 0.00 N ATOM 715 CA ALA A 47 -2.067 0.407 8.498 1.00 0.00 C ATOM 716 C ALA A 47 -3.282 -0.226 7.823 1.00 0.00 C ATOM 717 O ALA A 47 -4.398 -0.154 8.339 1.00 0.00 O ATOM 718 CB ALA A 47 -1.930 1.862 8.077 1.00 0.00 C ATOM 0 H ALA A 47 -0.050 0.267 7.939 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.222 0.359 9.576 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.850 2.397 8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.098 2.319 8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.743 1.914 7.004 1.00 0.00 H new ATOM 724 N ASP A 48 -3.057 -0.846 6.670 1.00 0.00 N ATOM 725 CA ASP A 48 -4.132 -1.493 5.927 1.00 0.00 C ATOM 726 C ASP A 48 -3.946 -3.010 5.915 1.00 0.00 C ATOM 727 O ASP A 48 -2.921 -3.511 5.453 1.00 0.00 O ATOM 728 CB ASP A 48 -4.181 -0.963 4.494 1.00 0.00 C ATOM 729 CG ASP A 48 -5.522 -1.212 3.831 1.00 0.00 C ATOM 730 OD1 ASP A 48 -6.442 -0.390 4.024 1.00 0.00 O ATOM 731 OD2 ASP A 48 -5.653 -2.231 3.121 1.00 0.00 O ATOM 0 H ASP A 48 -2.140 -0.914 6.229 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.075 -1.263 6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.974 0.107 4.498 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.395 -1.438 3.907 1.00 0.00 H new ATOM 736 N PRO A 49 -4.937 -3.765 6.422 1.00 0.00 N ATOM 737 CA PRO A 49 -4.869 -5.227 6.463 1.00 0.00 C ATOM 738 C PRO A 49 -5.148 -5.857 5.102 1.00 0.00 C ATOM 739 O PRO A 49 -6.185 -6.490 4.900 1.00 0.00 O ATOM 740 CB PRO A 49 -5.966 -5.594 7.461 1.00 0.00 C ATOM 741 CG PRO A 49 -6.975 -4.508 7.318 1.00 0.00 C ATOM 742 CD PRO A 49 -6.200 -3.257 6.995 1.00 0.00 C ATOM 0 HA PRO A 49 -3.879 -5.588 6.742 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.397 -6.569 7.236 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.577 -5.644 8.478 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.688 -4.740 6.527 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.548 -4.385 8.237 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.736 -2.626 6.286 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.022 -2.655 7.886 1.00 0.00 H new ATOM 750 N ARG A 50 -4.217 -5.676 4.172 1.00 0.00 N ATOM 751 CA ARG A 50 -4.363 -6.225 2.828 1.00 0.00 C ATOM 752 C ARG A 50 -3.003 -6.448 2.173 1.00 0.00 C ATOM 753 O ARG A 50 -2.787 -7.457 1.502 1.00 0.00 O ATOM 754 CB ARG A 50 -5.211 -5.289 1.964 1.00 0.00 C ATOM 755 CG ARG A 50 -6.677 -5.683 1.899 1.00 0.00 C ATOM 756 CD ARG A 50 -6.918 -6.767 0.859 1.00 0.00 C ATOM 757 NE ARG A 50 -7.246 -8.052 1.474 1.00 0.00 N ATOM 758 CZ ARG A 50 -7.304 -9.200 0.803 1.00 0.00 C ATOM 759 NH1 ARG A 50 -7.058 -9.229 -0.500 1.00 0.00 N ATOM 760 NH2 ARG A 50 -7.609 -10.324 1.439 1.00 0.00 N ATOM 0 H ARG A 50 -3.354 -5.154 4.323 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.864 -7.189 2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.133 -4.275 2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.803 -5.272 0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.003 -6.037 2.877 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.280 -4.807 1.659 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.731 -6.463 0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.029 -6.878 0.239 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.442 -8.070 2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.823 -8.368 -0.994 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.104 -10.112 -1.008 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.799 -10.308 2.441 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.654 -11.204 0.926 1.00 0.00 H new ATOM 774 N LEU A 51 -2.089 -5.502 2.369 1.00 0.00 N ATOM 775 CA LEU A 51 -0.753 -5.604 1.793 1.00 0.00 C ATOM 776 C LEU A 51 0.250 -6.089 2.836 1.00 0.00 C ATOM 777 O LEU A 51 0.383 -5.499 3.907 1.00 0.00 O ATOM 778 CB LEU A 51 -0.305 -4.255 1.219 1.00 0.00 C ATOM 779 CG LEU A 51 -1.405 -3.408 0.565 1.00 0.00 C ATOM 780 CD1 LEU A 51 -2.292 -4.256 -0.340 1.00 0.00 C ATOM 781 CD2 LEU A 51 -2.239 -2.703 1.624 1.00 0.00 C ATOM 0 H LEU A 51 -2.249 -4.659 2.921 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.791 -6.332 0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.147 -3.672 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.475 -4.437 0.479 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.921 -2.653 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.061 -3.627 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.686 -4.704 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.764 -5.043 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.013 -2.108 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.704 -3.444 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.598 -2.051 2.218 1.00 0.00 H new ATOM 793 N VAL A 52 0.945 -7.177 2.516 1.00 0.00 N ATOM 794 CA VAL A 52 1.929 -7.756 3.425 1.00 0.00 C ATOM 795 C VAL A 52 3.162 -6.870 3.572 1.00 0.00 C ATOM 796 O VAL A 52 4.006 -6.807 2.679 1.00 0.00 O ATOM 797 CB VAL A 52 2.389 -9.144 2.944 1.00 0.00 C ATOM 798 CG1 VAL A 52 3.077 -9.910 4.063 1.00 0.00 C ATOM 799 CG2 VAL A 52 1.219 -9.941 2.382 1.00 0.00 C ATOM 0 H VAL A 52 0.844 -7.676 1.632 1.00 0.00 H new ATOM 0 HA VAL A 52 1.431 -7.843 4.391 1.00 0.00 H new ATOM 0 HB VAL A 52 3.113 -8.996 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.392 -10.887 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.949 -9.352 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.384 -10.041 4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.570 -10.918 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.463 -10.072 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.785 -9.405 1.538 1.00 0.00 H new ATOM 809 N VAL A 53 3.269 -6.211 4.717 1.00 0.00 N ATOM 810 CA VAL A 53 4.409 -5.347 5.011 1.00 0.00 C ATOM 811 C VAL A 53 5.309 -6.017 6.043 1.00 0.00 C ATOM 812 O VAL A 53 4.885 -6.296 7.164 1.00 0.00 O ATOM 813 CB VAL A 53 3.958 -3.962 5.523 1.00 0.00 C ATOM 814 CG1 VAL A 53 2.861 -4.101 6.568 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.127 -3.160 6.082 1.00 0.00 C ATOM 0 H VAL A 53 2.576 -6.257 5.464 1.00 0.00 H new ATOM 0 HA VAL A 53 4.963 -5.193 4.085 1.00 0.00 H new ATOM 0 HB VAL A 53 3.558 -3.415 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.560 -3.112 6.913 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.002 -4.609 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.234 -4.682 7.412 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.770 -2.192 6.432 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.576 -3.703 6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.872 -3.011 5.301 1.00 0.00 H new ATOM 825 N GLN A 54 6.544 -6.297 5.647 1.00 0.00 N ATOM 826 CA GLN A 54 7.493 -6.966 6.537 1.00 0.00 C ATOM 827 C GLN A 54 8.808 -6.199 6.655 1.00 0.00 C ATOM 828 O GLN A 54 9.297 -5.629 5.681 1.00 0.00 O ATOM 829 CB GLN A 54 7.765 -8.388 6.040 1.00 0.00 C ATOM 830 CG GLN A 54 6.981 -9.454 6.786 1.00 0.00 C ATOM 831 CD GLN A 54 7.816 -10.683 7.092 1.00 0.00 C ATOM 832 OE1 GLN A 54 7.869 -11.143 8.233 1.00 0.00 O ATOM 833 NE2 GLN A 54 8.473 -11.221 6.071 1.00 0.00 N ATOM 0 H GLN A 54 6.913 -6.074 4.723 1.00 0.00 H new ATOM 0 HA GLN A 54 7.041 -7.001 7.528 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.522 -8.446 4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.830 -8.599 6.135 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.601 -9.035 7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.115 -9.746 6.192 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.400 -10.806 5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.051 -12.049 6.216 1.00 0.00 H new ATOM 842 N ILE A 55 9.376 -6.207 7.861 1.00 0.00 N ATOM 843 CA ILE A 55 10.640 -5.526 8.129 1.00 0.00 C ATOM 844 C ILE A 55 11.823 -6.476 7.979 1.00 0.00 C ATOM 845 O ILE A 55 11.856 -7.544 8.591 1.00 0.00 O ATOM 846 CB ILE A 55 10.662 -4.924 9.547 1.00 0.00 C ATOM 847 CG1 ILE A 55 10.235 -5.971 10.578 1.00 0.00 C ATOM 848 CG2 ILE A 55 9.759 -3.703 9.618 1.00 0.00 C ATOM 849 CD1 ILE A 55 11.146 -6.037 11.784 1.00 0.00 C ATOM 0 H ILE A 55 8.977 -6.681 8.671 1.00 0.00 H new ATOM 0 HA ILE A 55 10.726 -4.724 7.396 1.00 0.00 H new ATOM 0 HB ILE A 55 11.681 -4.612 9.777 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.221 -5.750 10.910 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.207 -6.950 10.100 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.785 -3.289 10.626 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.106 -2.952 8.908 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.737 -3.991 9.371 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.783 -6.800 12.473 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.157 -6.289 11.463 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.155 -5.070 12.286 1.00 0.00 H new ATOM 861 N THR A 56 12.795 -6.076 7.165 1.00 0.00 N ATOM 862 CA THR A 56 13.986 -6.886 6.937 1.00 0.00 C ATOM 863 C THR A 56 15.244 -6.105 7.303 1.00 0.00 C ATOM 864 O THR A 56 15.668 -5.213 6.569 1.00 0.00 O ATOM 865 CB THR A 56 14.054 -7.332 5.475 1.00 0.00 C ATOM 866 OG1 THR A 56 15.338 -7.842 5.165 1.00 0.00 O ATOM 867 CG2 THR A 56 13.753 -6.218 4.495 1.00 0.00 C ATOM 0 H THR A 56 12.781 -5.195 6.652 1.00 0.00 H new ATOM 0 HA THR A 56 13.926 -7.769 7.573 1.00 0.00 H new ATOM 0 HB THR A 56 13.289 -8.101 5.372 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.360 -8.123 4.226 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.818 -6.602 3.477 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.748 -5.836 4.675 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.476 -5.413 4.626 1.00 0.00 H new ATOM 1312 N LEU A 89 13.199 25.718 6.512 1.00 0.00 N ATOM 1313 CA LEU A 89 12.451 24.487 6.743 1.00 0.00 C ATOM 1314 C LEU A 89 13.158 23.290 6.115 1.00 0.00 C ATOM 1315 O LEU A 89 13.005 22.158 6.569 1.00 0.00 O ATOM 1316 CB LEU A 89 11.032 24.613 6.184 1.00 0.00 C ATOM 1317 CG LEU A 89 9.979 25.070 7.194 1.00 0.00 C ATOM 1318 CD1 LEU A 89 9.985 24.169 8.420 1.00 0.00 C ATOM 1319 CD2 LEU A 89 10.218 26.518 7.593 1.00 0.00 C ATOM 0 HA LEU A 89 12.395 24.324 7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.046 25.318 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.730 23.647 5.778 1.00 0.00 H new ATOM 0 HG LEU A 89 8.998 25.000 6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.229 24.511 9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.764 23.145 8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.966 24.205 8.893 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.460 26.827 8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.206 26.613 8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.160 27.153 6.709 1.00 0.00 H new ATOM 1331 N ASN A 90 13.929 23.543 5.063 1.00 0.00 N ATOM 1332 CA ASN A 90 14.654 22.479 4.376 1.00 0.00 C ATOM 1333 C ASN A 90 15.529 21.684 5.348 1.00 0.00 C ATOM 1334 O ASN A 90 15.490 20.453 5.366 1.00 0.00 O ATOM 1335 CB ASN A 90 15.517 23.063 3.257 1.00 0.00 C ATOM 1336 CG ASN A 90 14.688 23.588 2.102 1.00 0.00 C ATOM 1337 OD1 ASN A 90 13.659 24.235 2.305 1.00 0.00 O ATOM 1338 ND2 ASN A 90 15.132 23.313 0.881 1.00 0.00 N ATOM 0 H ASN A 90 14.068 24.473 4.668 1.00 0.00 H new ATOM 0 HA ASN A 90 13.919 21.799 3.946 1.00 0.00 H new ATOM 0 HB2 ASN A 90 16.129 23.871 3.658 1.00 0.00 H new ATOM 0 HB3 ASN A 90 16.200 22.297 2.891 1.00 0.00 H new ATOM 0 HD21 ASN A 90 14.616 23.641 0.065 1.00 0.00 H new ATOM 0 HD22 ASN A 90 15.989 22.774 0.759 1.00 0.00 H new ATOM 1345 N THR A 91 16.329 22.392 6.143 1.00 0.00 N ATOM 1346 CA THR A 91 17.225 21.749 7.103 1.00 0.00 C ATOM 1347 C THR A 91 16.471 20.942 8.169 1.00 0.00 C ATOM 1348 O THR A 91 17.077 20.137 8.875 1.00 0.00 O ATOM 1349 CB THR A 91 18.105 22.799 7.781 1.00 0.00 C ATOM 1350 OG1 THR A 91 18.463 23.819 6.865 1.00 0.00 O ATOM 1351 CG2 THR A 91 19.383 22.229 8.355 1.00 0.00 C ATOM 0 H THR A 91 16.375 23.411 6.142 1.00 0.00 H new ATOM 0 HA THR A 91 17.842 21.048 6.541 1.00 0.00 H new ATOM 0 HB THR A 91 17.504 23.195 8.599 1.00 0.00 H new ATOM 0 HG1 THR A 91 19.025 24.483 7.317 1.00 0.00 H new ATOM 0 HG21 THR A 91 19.960 23.027 8.821 1.00 0.00 H new ATOM 0 HG22 THR A 91 19.141 21.473 9.102 1.00 0.00 H new ATOM 0 HG23 THR A 91 19.970 21.776 7.556 1.00 0.00 H new ATOM 1359 N PHE A 92 15.159 21.151 8.293 1.00 0.00 N ATOM 1360 CA PHE A 92 14.371 20.424 9.285 1.00 0.00 C ATOM 1361 C PHE A 92 14.198 18.957 8.889 1.00 0.00 C ATOM 1362 O PHE A 92 13.814 18.128 9.713 1.00 0.00 O ATOM 1363 CB PHE A 92 13.008 21.097 9.486 1.00 0.00 C ATOM 1364 CG PHE A 92 12.973 22.034 10.660 1.00 0.00 C ATOM 1365 CD1 PHE A 92 13.577 23.280 10.589 1.00 0.00 C ATOM 1366 CD2 PHE A 92 12.336 21.669 11.836 1.00 0.00 C ATOM 1367 CE1 PHE A 92 13.547 24.142 11.668 1.00 0.00 C ATOM 1368 CE2 PHE A 92 12.302 22.527 12.918 1.00 0.00 C ATOM 1369 CZ PHE A 92 12.908 23.766 12.834 1.00 0.00 C ATOM 0 H PHE A 92 14.626 21.810 7.725 1.00 0.00 H new ATOM 0 HA PHE A 92 14.913 20.450 10.230 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.746 21.648 8.583 1.00 0.00 H new ATOM 0 HB3 PHE A 92 12.248 20.328 9.622 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.077 23.580 9.680 1.00 0.00 H new ATOM 0 HD2 PHE A 92 11.860 20.702 11.907 1.00 0.00 H new ATOM 0 HE1 PHE A 92 14.023 25.109 11.600 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.803 22.230 13.828 1.00 0.00 H new ATOM 0 HZ PHE A 92 12.882 24.439 13.678 1.00 0.00 H new ATOM 1379 N THR A 93 14.498 18.635 7.630 1.00 0.00 N ATOM 1380 CA THR A 93 14.386 17.261 7.142 1.00 0.00 C ATOM 1381 C THR A 93 12.961 16.730 7.322 1.00 0.00 C ATOM 1382 O THR A 93 12.002 17.493 7.255 1.00 0.00 O ATOM 1383 CB THR A 93 15.393 16.368 7.874 1.00 0.00 C ATOM 1384 OG1 THR A 93 16.474 17.135 8.375 1.00 0.00 O ATOM 1385 CG2 THR A 93 15.972 15.277 6.999 1.00 0.00 C ATOM 0 H THR A 93 14.820 19.305 6.932 1.00 0.00 H new ATOM 0 HA THR A 93 14.612 17.250 6.076 1.00 0.00 H new ATOM 0 HB THR A 93 14.830 15.903 8.684 1.00 0.00 H new ATOM 0 HG1 THR A 93 17.105 16.547 8.840 1.00 0.00 H new ATOM 0 HG21 THR A 93 16.677 14.682 7.579 1.00 0.00 H new ATOM 0 HG22 THR A 93 15.168 14.636 6.637 1.00 0.00 H new ATOM 0 HG23 THR A 93 16.488 15.726 6.151 1.00 0.00 H new ATOM 1393 N VAL A 94 12.824 15.421 7.545 1.00 0.00 N ATOM 1394 CA VAL A 94 11.511 14.808 7.735 1.00 0.00 C ATOM 1395 C VAL A 94 11.472 13.987 9.020 1.00 0.00 C ATOM 1396 O VAL A 94 10.439 13.883 9.677 1.00 0.00 O ATOM 1397 CB VAL A 94 11.128 13.905 6.545 1.00 0.00 C ATOM 1398 CG1 VAL A 94 10.694 14.743 5.351 1.00 0.00 C ATOM 1399 CG2 VAL A 94 12.285 12.991 6.170 1.00 0.00 C ATOM 0 H VAL A 94 13.606 14.768 7.598 1.00 0.00 H new ATOM 0 HA VAL A 94 10.789 15.622 7.803 1.00 0.00 H new ATOM 0 HB VAL A 94 10.286 13.282 6.847 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.428 14.086 4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.830 15.348 5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.513 15.396 5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.994 12.362 5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.149 13.594 5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.542 12.361 7.022 1.00 0.00 H new ATOM 1409 N GLU A 95 12.606 13.410 9.375 1.00 0.00 N ATOM 1410 CA GLU A 95 12.719 12.611 10.587 1.00 0.00 C ATOM 1411 C GLU A 95 12.945 13.506 11.807 1.00 0.00 C ATOM 1412 O GLU A 95 12.754 13.081 12.946 1.00 0.00 O ATOM 1413 CB GLU A 95 13.865 11.606 10.455 1.00 0.00 C ATOM 1414 CG GLU A 95 15.218 12.252 10.206 1.00 0.00 C ATOM 1415 CD GLU A 95 16.013 11.543 9.126 1.00 0.00 C ATOM 1416 OE1 GLU A 95 16.350 10.356 9.319 1.00 0.00 O ATOM 1417 OE2 GLU A 95 16.298 12.176 8.088 1.00 0.00 O ATOM 0 H GLU A 95 13.470 13.480 8.837 1.00 0.00 H new ATOM 0 HA GLU A 95 11.785 12.067 10.725 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.919 11.009 11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.643 10.921 9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.072 13.294 9.920 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.792 12.253 11.133 1.00 0.00 H new ATOM 1424 N GLN A 96 13.397 14.734 11.556 1.00 0.00 N ATOM 1425 CA GLN A 96 13.703 15.682 12.620 1.00 0.00 C ATOM 1426 C GLN A 96 12.465 16.376 13.164 1.00 0.00 C ATOM 1427 O GLN A 96 12.472 16.845 14.299 1.00 0.00 O ATOM 1428 CB GLN A 96 14.698 16.726 12.105 1.00 0.00 C ATOM 1429 CG GLN A 96 16.089 16.596 12.708 1.00 0.00 C ATOM 1430 CD GLN A 96 16.384 17.671 13.736 1.00 0.00 C ATOM 1431 OE1 GLN A 96 15.881 18.790 13.642 1.00 0.00 O ATOM 1432 NE2 GLN A 96 17.206 17.335 14.723 1.00 0.00 N ATOM 0 H GLN A 96 13.560 15.095 10.616 1.00 0.00 H new ATOM 0 HA GLN A 96 14.138 15.115 13.443 1.00 0.00 H new ATOM 0 HB2 GLN A 96 14.772 16.640 11.021 1.00 0.00 H new ATOM 0 HB3 GLN A 96 14.310 17.722 12.320 1.00 0.00 H new ATOM 0 HG2 GLN A 96 16.188 15.616 13.175 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.832 16.647 11.912 1.00 0.00 H new ATOM 0 HE21 GLN A 96 17.600 16.395 14.761 1.00 0.00 H new ATOM 0 HE22 GLN A 96 17.444 18.017 15.443 1.00 0.00 H new ATOM 1441 N LEU A 97 11.404 16.445 12.375 1.00 0.00 N ATOM 1442 CA LEU A 97 10.192 17.094 12.847 1.00 0.00 C ATOM 1443 C LEU A 97 9.371 16.099 13.638 1.00 0.00 C ATOM 1444 O LEU A 97 8.941 16.378 14.755 1.00 0.00 O ATOM 1445 CB LEU A 97 9.343 17.732 11.730 1.00 0.00 C ATOM 1446 CG LEU A 97 9.710 17.462 10.265 1.00 0.00 C ATOM 1447 CD1 LEU A 97 11.207 17.549 10.007 1.00 0.00 C ATOM 1448 CD2 LEU A 97 9.134 16.132 9.818 1.00 0.00 C ATOM 0 H LEU A 97 11.356 16.070 11.428 1.00 0.00 H new ATOM 0 HA LEU A 97 10.504 17.924 13.481 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.312 17.408 11.875 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.362 18.812 11.879 1.00 0.00 H new ATOM 0 HG LEU A 97 9.262 18.252 9.663 1.00 0.00 H new ATOM 0 HD11 LEU A 97 11.407 17.349 8.954 1.00 0.00 H new ATOM 0 HD12 LEU A 97 11.562 18.548 10.261 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.725 16.813 10.621 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.401 15.951 8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.538 15.333 10.440 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.049 16.154 9.916 1.00 0.00 H new ATOM 1460 N LYS A 98 9.177 14.926 13.062 1.00 0.00 N ATOM 1461 CA LYS A 98 8.428 13.876 13.733 1.00 0.00 C ATOM 1462 C LYS A 98 9.071 13.531 15.078 1.00 0.00 C ATOM 1463 O LYS A 98 8.374 13.220 16.044 1.00 0.00 O ATOM 1464 CB LYS A 98 8.351 12.625 12.858 1.00 0.00 C ATOM 1465 CG LYS A 98 7.403 11.566 13.402 1.00 0.00 C ATOM 1466 CD LYS A 98 6.320 11.212 12.395 1.00 0.00 C ATOM 1467 CE LYS A 98 5.464 12.421 12.054 1.00 0.00 C ATOM 1468 NZ LYS A 98 4.740 12.243 10.765 1.00 0.00 N ATOM 0 H LYS A 98 9.525 14.676 12.136 1.00 0.00 H new ATOM 0 HA LYS A 98 7.417 14.243 13.910 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.029 12.910 11.856 1.00 0.00 H new ATOM 0 HB3 LYS A 98 9.348 12.195 12.762 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.967 10.670 13.660 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.942 11.928 14.321 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.779 10.821 11.487 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.690 10.420 12.800 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.744 12.593 12.854 1.00 0.00 H new ATOM 0 HE3 LYS A 98 6.095 13.308 11.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.924 12.887 10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.381 12.457 9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.409 11.260 10.686 1.00 0.00 H new ATOM 1482 N ALA A 99 10.405 13.581 15.135 1.00 0.00 N ATOM 1483 CA ALA A 99 11.124 13.267 16.368 1.00 0.00 C ATOM 1484 C ALA A 99 11.236 14.471 17.289 1.00 0.00 C ATOM 1485 O ALA A 99 11.394 14.328 18.501 1.00 0.00 O ATOM 1486 CB ALA A 99 12.502 12.706 16.053 1.00 0.00 C ATOM 0 H ALA A 99 11.003 13.834 14.348 1.00 0.00 H new ATOM 0 HA ALA A 99 10.545 12.510 16.896 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.023 12.478 16.983 1.00 0.00 H new ATOM 0 HB2 ALA A 99 12.398 11.796 15.463 1.00 0.00 H new ATOM 0 HB3 ALA A 99 13.074 13.442 15.488 1.00 0.00 H new ATOM 1492 N GLN A 100 11.151 15.650 16.710 1.00 0.00 N ATOM 1493 CA GLN A 100 11.239 16.883 17.481 1.00 0.00 C ATOM 1494 C GLN A 100 9.871 17.279 18.019 1.00 0.00 C ATOM 1495 O GLN A 100 9.754 17.760 19.145 1.00 0.00 O ATOM 1496 CB GLN A 100 11.828 18.013 16.636 1.00 0.00 C ATOM 1497 CG GLN A 100 12.044 19.304 17.409 1.00 0.00 C ATOM 1498 CD GLN A 100 13.503 19.545 17.742 1.00 0.00 C ATOM 1499 OE1 GLN A 100 14.071 18.883 18.611 1.00 0.00 O ATOM 1500 NE2 GLN A 100 14.118 20.497 17.051 1.00 0.00 N ATOM 0 H GLN A 100 11.021 15.786 15.708 1.00 0.00 H new ATOM 0 HA GLN A 100 11.904 16.706 18.326 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.781 17.685 16.220 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.164 18.210 15.795 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.665 20.142 16.823 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.465 19.272 18.332 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.608 21.021 16.340 1.00 0.00 H new ATOM 0 HE22 GLN A 100 15.100 20.704 17.231 1.00 0.00 H new ATOM 1509 N LEU A 101 8.833 17.063 17.214 1.00 0.00 N ATOM 1510 CA LEU A 101 7.476 17.389 17.629 1.00 0.00 C ATOM 1511 C LEU A 101 7.128 16.607 18.887 1.00 0.00 C ATOM 1512 O LEU A 101 6.612 17.159 19.859 1.00 0.00 O ATOM 1513 CB LEU A 101 6.467 17.055 16.521 1.00 0.00 C ATOM 1514 CG LEU A 101 5.873 18.253 15.762 1.00 0.00 C ATOM 1515 CD1 LEU A 101 4.558 17.859 15.109 1.00 0.00 C ATOM 1516 CD2 LEU A 101 5.663 19.449 16.683 1.00 0.00 C ATOM 0 H LEU A 101 8.907 16.666 16.277 1.00 0.00 H new ATOM 0 HA LEU A 101 7.424 18.459 17.830 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.955 16.400 15.799 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.647 16.489 16.963 1.00 0.00 H new ATOM 0 HG LEU A 101 6.585 18.546 14.990 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.146 18.715 14.574 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.730 17.042 14.408 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.853 17.537 15.876 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.242 20.277 16.113 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.978 19.175 17.485 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.619 19.751 17.110 1.00 0.00 H new ATOM 1528 N THR A 102 7.432 15.313 18.858 1.00 0.00 N ATOM 1529 CA THR A 102 7.173 14.440 19.992 1.00 0.00 C ATOM 1530 C THR A 102 7.931 14.935 21.211 1.00 0.00 C ATOM 1531 O THR A 102 7.394 14.978 22.318 1.00 0.00 O ATOM 1532 CB THR A 102 7.586 13.005 19.668 1.00 0.00 C ATOM 1533 OG1 THR A 102 8.425 12.966 18.527 1.00 0.00 O ATOM 1534 CG2 THR A 102 6.408 12.100 19.403 1.00 0.00 C ATOM 0 H THR A 102 7.859 14.847 18.058 1.00 0.00 H new ATOM 0 HA THR A 102 6.104 14.455 20.205 1.00 0.00 H new ATOM 0 HB THR A 102 8.113 12.646 20.552 1.00 0.00 H new ATOM 0 HG1 THR A 102 7.876 12.884 17.720 1.00 0.00 H new ATOM 0 HG21 THR A 102 6.765 11.095 19.179 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.767 12.070 20.284 1.00 0.00 H new ATOM 0 HG23 THR A 102 5.840 12.481 18.554 1.00 0.00 H new ATOM 1542 N GLU A 103 9.183 15.322 20.995 1.00 0.00 N ATOM 1543 CA GLU A 103 10.012 15.829 22.079 1.00 0.00 C ATOM 1544 C GLU A 103 9.567 17.228 22.502 1.00 0.00 C ATOM 1545 O GLU A 103 10.056 17.775 23.490 1.00 0.00 O ATOM 1546 CB GLU A 103 11.487 15.846 21.668 1.00 0.00 C ATOM 1547 CG GLU A 103 12.175 14.500 21.814 1.00 0.00 C ATOM 1548 CD GLU A 103 13.671 14.629 22.019 1.00 0.00 C ATOM 1549 OE1 GLU A 103 14.358 15.107 21.092 1.00 0.00 O ATOM 1550 OE2 GLU A 103 14.157 14.251 23.106 1.00 0.00 O ATOM 0 H GLU A 103 9.643 15.294 20.085 1.00 0.00 H new ATOM 0 HA GLU A 103 9.893 15.159 22.931 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.563 16.173 20.631 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.016 16.582 22.273 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.741 13.964 22.658 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.984 13.900 20.924 1.00 0.00 H new ATOM 1557 N ARG A 104 8.631 17.791 21.750 1.00 0.00 N ATOM 1558 CA ARG A 104 8.101 19.119 22.040 1.00 0.00 C ATOM 1559 C ARG A 104 6.693 19.027 22.627 1.00 0.00 C ATOM 1560 O ARG A 104 6.185 19.994 23.197 1.00 0.00 O ATOM 1561 CB ARG A 104 8.079 19.967 20.765 1.00 0.00 C ATOM 1562 CG ARG A 104 8.837 21.278 20.889 1.00 0.00 C ATOM 1563 CD ARG A 104 8.635 22.152 19.660 1.00 0.00 C ATOM 1564 NE ARG A 104 9.293 23.449 19.795 1.00 0.00 N ATOM 1565 CZ ARG A 104 10.582 23.657 19.538 1.00 0.00 C ATOM 1566 NH1 ARG A 104 11.358 22.657 19.138 1.00 0.00 N ATOM 1567 NH2 ARG A 104 11.098 24.871 19.681 1.00 0.00 N ATOM 0 H ARG A 104 8.220 17.346 20.929 1.00 0.00 H new ATOM 0 HA ARG A 104 8.751 19.592 22.775 1.00 0.00 H new ATOM 0 HB2 ARG A 104 8.506 19.387 19.946 1.00 0.00 H new ATOM 0 HB3 ARG A 104 7.044 20.180 20.499 1.00 0.00 H new ATOM 0 HG2 ARG A 104 8.500 21.813 21.777 1.00 0.00 H new ATOM 0 HG3 ARG A 104 9.900 21.075 21.023 1.00 0.00 H new ATOM 0 HD2 ARG A 104 9.025 21.638 18.782 1.00 0.00 H new ATOM 0 HD3 ARG A 104 7.568 22.302 19.494 1.00 0.00 H new ATOM 0 HE ARG A 104 8.731 24.242 20.105 1.00 0.00 H new ATOM 0 HH11 ARG A 104 10.967 21.722 19.026 1.00 0.00 H new ATOM 0 HH12 ARG A 104 12.345 22.824 18.943 1.00 0.00 H new ATOM 0 HH21 ARG A 104 10.507 25.644 19.988 1.00 0.00 H new ATOM 0 HH22 ARG A 104 12.086 25.032 19.484 1.00 0.00 H new ATOM 1581 N GLY A 105 6.068 17.860 22.486 1.00 0.00 N ATOM 1582 CA GLY A 105 4.729 17.665 23.009 1.00 0.00 C ATOM 1583 C GLY A 105 3.705 18.571 22.351 1.00 0.00 C ATOM 1584 O GLY A 105 3.107 19.421 23.011 1.00 0.00 O ATOM 0 H GLY A 105 6.467 17.046 22.018 1.00 0.00 H new ATOM 0 HA2 GLY A 105 4.435 16.626 22.864 1.00 0.00 H new ATOM 0 HA3 GLY A 105 4.733 17.848 24.083 1.00 0.00 H new ATOM 1588 N ILE A 106 3.498 18.389 21.050 1.00 0.00 N ATOM 1589 CA ILE A 106 2.534 19.200 20.314 1.00 0.00 C ATOM 1590 C ILE A 106 1.395 18.339 19.765 1.00 0.00 C ATOM 1591 O ILE A 106 0.356 18.196 20.409 1.00 0.00 O ATOM 1592 CB ILE A 106 3.214 19.975 19.162 1.00 0.00 C ATOM 1593 CG1 ILE A 106 4.333 20.862 19.711 1.00 0.00 C ATOM 1594 CG2 ILE A 106 2.193 20.813 18.404 1.00 0.00 C ATOM 1595 CD1 ILE A 106 3.845 21.936 20.658 1.00 0.00 C ATOM 0 H ILE A 106 3.982 17.691 20.486 1.00 0.00 H new ATOM 0 HA ILE A 106 2.117 19.923 21.016 1.00 0.00 H new ATOM 0 HB ILE A 106 3.648 19.255 18.468 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.060 20.236 20.228 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.854 21.333 18.877 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.691 21.351 17.597 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.426 20.161 17.986 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.731 21.527 19.085 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.693 22.526 21.007 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.140 22.586 20.139 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.350 21.472 21.511 1.00 0.00 H new ATOM 1607 N THR A 107 1.592 17.762 18.578 1.00 0.00 N ATOM 1608 CA THR A 107 0.577 16.912 17.954 1.00 0.00 C ATOM 1609 C THR A 107 0.954 16.591 16.511 1.00 0.00 C ATOM 1610 O THR A 107 1.615 17.385 15.842 1.00 0.00 O ATOM 1611 CB THR A 107 -0.798 17.588 17.989 1.00 0.00 C ATOM 1612 OG1 THR A 107 -1.704 16.923 17.128 1.00 0.00 O ATOM 1613 CG2 THR A 107 -0.762 19.044 17.577 1.00 0.00 C ATOM 0 H THR A 107 2.446 17.868 18.030 1.00 0.00 H new ATOM 0 HA THR A 107 0.527 15.983 18.522 1.00 0.00 H new ATOM 0 HB THR A 107 -1.121 17.529 19.028 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.577 17.368 17.165 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.768 19.461 17.624 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.108 19.597 18.251 1.00 0.00 H new ATOM 0 HG23 THR A 107 -0.384 19.125 16.558 1.00 0.00 H new ATOM 1621 N PHE A 108 0.528 15.425 16.038 1.00 0.00 N ATOM 1622 CA PHE A 108 0.822 15.001 14.673 1.00 0.00 C ATOM 1623 C PHE A 108 0.058 13.730 14.320 1.00 0.00 C ATOM 1624 O PHE A 108 0.532 12.620 14.565 1.00 0.00 O ATOM 1625 CB PHE A 108 2.324 14.773 14.500 1.00 0.00 C ATOM 1626 CG PHE A 108 2.887 13.749 15.445 1.00 0.00 C ATOM 1627 CD1 PHE A 108 3.045 14.042 16.789 1.00 0.00 C ATOM 1628 CD2 PHE A 108 3.256 12.494 14.987 1.00 0.00 C ATOM 1629 CE1 PHE A 108 3.560 13.101 17.661 1.00 0.00 C ATOM 1630 CE2 PHE A 108 3.771 11.550 15.854 1.00 0.00 C ATOM 1631 CZ PHE A 108 3.925 11.854 17.193 1.00 0.00 C ATOM 0 H PHE A 108 -0.021 14.757 16.578 1.00 0.00 H new ATOM 0 HA PHE A 108 0.502 15.794 13.997 1.00 0.00 H new ATOM 0 HB2 PHE A 108 2.520 14.457 13.475 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.846 15.718 14.647 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.763 15.016 17.160 1.00 0.00 H new ATOM 0 HD2 PHE A 108 3.140 12.252 13.941 1.00 0.00 H new ATOM 0 HE1 PHE A 108 3.677 13.341 18.708 1.00 0.00 H new ATOM 0 HE2 PHE A 108 4.053 10.575 15.485 1.00 0.00 H new ATOM 0 HZ PHE A 108 4.330 11.118 17.872 1.00 0.00 H new ATOM 1641 N LYS A 109 -1.126 13.899 13.741 1.00 0.00 N ATOM 1642 CA LYS A 109 -1.957 12.765 13.352 1.00 0.00 C ATOM 1643 C LYS A 109 -3.221 13.236 12.641 1.00 0.00 C ATOM 1644 O LYS A 109 -3.876 14.182 13.081 1.00 0.00 O ATOM 1645 CB LYS A 109 -2.328 11.931 14.579 1.00 0.00 C ATOM 1646 CG LYS A 109 -2.548 10.459 14.269 1.00 0.00 C ATOM 1647 CD LYS A 109 -3.707 9.887 15.070 1.00 0.00 C ATOM 1648 CE LYS A 109 -3.426 8.460 15.513 1.00 0.00 C ATOM 1649 NZ LYS A 109 -2.938 8.401 16.920 1.00 0.00 N ATOM 0 H LYS A 109 -1.532 14.811 13.531 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.383 12.146 12.662 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.537 12.023 15.323 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.235 12.339 15.025 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -2.745 10.336 13.204 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.639 9.900 14.492 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.890 10.511 15.944 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.614 9.910 14.467 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.334 7.865 15.419 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.683 8.014 14.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.758 7.411 17.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.057 8.948 17.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.658 8.803 17.554 1.00 0.00 H new ATOM 1663 N GLN A 110 -3.558 12.571 11.541 1.00 0.00 N ATOM 1664 CA GLN A 110 -4.745 12.919 10.763 1.00 0.00 C ATOM 1665 C GLN A 110 -4.567 14.269 10.074 1.00 0.00 C ATOM 1666 O GLN A 110 -4.488 14.344 8.848 1.00 0.00 O ATOM 1667 CB GLN A 110 -5.985 12.948 11.660 1.00 0.00 C ATOM 1668 CG GLN A 110 -7.282 12.685 10.913 1.00 0.00 C ATOM 1669 CD GLN A 110 -7.249 11.390 10.124 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -7.534 10.318 10.657 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -6.899 11.485 8.847 1.00 0.00 N ATOM 0 H GLN A 110 -3.025 11.786 11.166 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.881 12.155 9.997 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.871 12.203 12.447 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -6.047 13.921 12.148 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -8.107 12.651 11.625 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -7.481 13.515 10.234 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -6.671 12.395 8.447 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -6.858 10.648 8.266 1.00 0.00 H new ATOM 1680 N SER A 111 -4.502 15.331 10.870 1.00 0.00 N ATOM 1681 CA SER A 111 -4.332 16.677 10.334 1.00 0.00 C ATOM 1682 C SER A 111 -2.968 16.824 9.668 1.00 0.00 C ATOM 1683 O SER A 111 -2.874 16.957 8.448 1.00 0.00 O ATOM 1684 CB SER A 111 -4.484 17.715 11.446 1.00 0.00 C ATOM 1685 OG SER A 111 -3.449 17.593 12.406 1.00 0.00 O ATOM 0 H SER A 111 -4.564 15.286 11.887 1.00 0.00 H new ATOM 0 HA SER A 111 -5.105 16.845 9.584 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.469 18.717 11.017 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.451 17.591 11.933 1.00 0.00 H new ATOM 0 HG SER A 111 -3.569 18.270 13.105 1.00 0.00 H new ATOM 1691 N ALA A 112 -1.914 16.796 10.476 1.00 0.00 N ATOM 1692 CA ALA A 112 -0.556 16.923 9.963 1.00 0.00 C ATOM 1693 C ALA A 112 -0.062 15.599 9.395 1.00 0.00 C ATOM 1694 O ALA A 112 -0.777 14.597 9.416 1.00 0.00 O ATOM 1695 CB ALA A 112 0.381 17.409 11.059 1.00 0.00 C ATOM 0 H ALA A 112 -1.974 16.687 11.488 1.00 0.00 H new ATOM 0 HA ALA A 112 -0.565 17.657 9.157 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.392 17.499 10.660 1.00 0.00 H new ATOM 0 HB2 ALA A 112 0.045 18.381 11.420 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.378 16.695 11.883 1.00 0.00 H new ATOM 1701 N THR A 113 1.165 15.601 8.890 1.00 0.00 N ATOM 1702 CA THR A 113 1.758 14.399 8.318 1.00 0.00 C ATOM 1703 C THR A 113 3.226 14.627 7.987 1.00 0.00 C ATOM 1704 O THR A 113 4.110 14.232 8.748 1.00 0.00 O ATOM 1705 CB THR A 113 0.991 13.968 7.067 1.00 0.00 C ATOM 1706 OG1 THR A 113 0.237 15.047 6.543 1.00 0.00 O ATOM 1707 CG2 THR A 113 0.039 12.821 7.323 1.00 0.00 C ATOM 0 H THR A 113 1.769 16.422 8.865 1.00 0.00 H new ATOM 0 HA THR A 113 1.693 13.601 9.058 1.00 0.00 H new ATOM 0 HB THR A 113 1.750 13.640 6.357 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.245 14.751 5.743 1.00 0.00 H new ATOM 0 HG21 THR A 113 -0.475 12.561 6.398 1.00 0.00 H new ATOM 0 HG22 THR A 113 0.598 11.957 7.682 1.00 0.00 H new ATOM 0 HG23 THR A 113 -0.693 13.117 8.074 1.00 0.00 H new ATOM 1715 N LYS A 114 3.488 15.271 6.853 1.00 0.00 N ATOM 1716 CA LYS A 114 4.860 15.547 6.446 1.00 0.00 C ATOM 1717 C LYS A 114 4.999 16.948 5.880 1.00 0.00 C ATOM 1718 O LYS A 114 5.782 17.752 6.384 1.00 0.00 O ATOM 1719 CB LYS A 114 5.347 14.511 5.426 1.00 0.00 C ATOM 1720 CG LYS A 114 4.245 13.952 4.539 1.00 0.00 C ATOM 1721 CD LYS A 114 4.705 13.818 3.095 1.00 0.00 C ATOM 1722 CE LYS A 114 4.053 12.628 2.408 1.00 0.00 C ATOM 1723 NZ LYS A 114 3.307 13.033 1.185 1.00 0.00 N ATOM 0 H LYS A 114 2.775 15.608 6.206 1.00 0.00 H new ATOM 0 HA LYS A 114 5.484 15.479 7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.110 14.967 4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.824 13.688 5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.934 12.977 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.373 14.605 4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.464 14.731 2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.789 13.706 3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.818 11.899 2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.372 12.136 3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.878 12.193 0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 2.560 13.710 1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.961 13.479 0.511 1.00 0.00 H new ATOM 1737 N ALA A 115 4.234 17.248 4.845 1.00 0.00 N ATOM 1738 CA ALA A 115 4.286 18.568 4.242 1.00 0.00 C ATOM 1739 C ALA A 115 3.777 19.609 5.227 1.00 0.00 C ATOM 1740 O ALA A 115 4.271 20.735 5.275 1.00 0.00 O ATOM 1741 CB ALA A 115 3.472 18.600 2.957 1.00 0.00 C ATOM 0 H ALA A 115 3.576 16.603 4.408 1.00 0.00 H new ATOM 0 HA ALA A 115 5.321 18.801 3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 115 3.522 19.597 2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 115 3.876 17.873 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 115 2.434 18.353 3.178 1.00 0.00 H new ATOM 1747 N GLU A 116 2.791 19.210 6.020 1.00 0.00 N ATOM 1748 CA GLU A 116 2.211 20.092 7.027 1.00 0.00 C ATOM 1749 C GLU A 116 2.997 20.015 8.329 1.00 0.00 C ATOM 1750 O GLU A 116 3.122 20.998 9.057 1.00 0.00 O ATOM 1751 CB GLU A 116 0.745 19.730 7.273 1.00 0.00 C ATOM 1752 CG GLU A 116 -0.087 19.667 6.003 1.00 0.00 C ATOM 1753 CD GLU A 116 -1.567 19.866 6.263 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -2.258 18.867 6.556 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -2.036 21.020 6.174 1.00 0.00 O ATOM 0 H GLU A 116 2.375 18.279 5.986 1.00 0.00 H new ATOM 0 HA GLU A 116 2.262 21.115 6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.697 18.765 7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.306 20.464 7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 116 0.261 20.430 5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 116 0.066 18.702 5.520 1.00 0.00 H new ATOM 1762 N LEU A 117 3.512 18.826 8.611 1.00 0.00 N ATOM 1763 CA LEU A 117 4.283 18.574 9.823 1.00 0.00 C ATOM 1764 C LEU A 117 5.672 19.179 9.717 1.00 0.00 C ATOM 1765 O LEU A 117 6.208 19.700 10.694 1.00 0.00 O ATOM 1766 CB LEU A 117 4.359 17.062 10.063 1.00 0.00 C ATOM 1767 CG LEU A 117 5.407 16.582 11.067 1.00 0.00 C ATOM 1768 CD1 LEU A 117 4.788 16.413 12.445 1.00 0.00 C ATOM 1769 CD2 LEU A 117 6.014 15.275 10.588 1.00 0.00 C ATOM 0 H LEU A 117 3.408 18.010 8.008 1.00 0.00 H new ATOM 0 HA LEU A 117 3.787 19.047 10.671 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.381 16.721 10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.553 16.574 9.108 1.00 0.00 H new ATOM 0 HG LEU A 117 6.196 17.331 11.142 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.549 16.071 13.146 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.386 17.368 12.783 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.984 15.679 12.395 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.761 14.936 11.306 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.231 14.522 10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.487 15.427 9.618 1.00 0.00 H new ATOM 1781 N ILE A 118 6.250 19.114 8.529 1.00 0.00 N ATOM 1782 CA ILE A 118 7.573 19.667 8.313 1.00 0.00 C ATOM 1783 C ILE A 118 7.492 21.191 8.185 1.00 0.00 C ATOM 1784 O ILE A 118 8.435 21.904 8.526 1.00 0.00 O ATOM 1785 CB ILE A 118 8.255 19.034 7.064 1.00 0.00 C ATOM 1786 CG1 ILE A 118 9.769 18.941 7.257 1.00 0.00 C ATOM 1787 CG2 ILE A 118 7.937 19.787 5.774 1.00 0.00 C ATOM 1788 CD1 ILE A 118 10.395 20.180 7.861 1.00 0.00 C ATOM 0 H ILE A 118 5.826 18.687 7.706 1.00 0.00 H new ATOM 0 HA ILE A 118 8.192 19.424 9.177 1.00 0.00 H new ATOM 0 HB ILE A 118 7.843 18.030 6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.991 18.087 7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 118 10.236 18.746 6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.438 19.302 4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 118 6.860 19.781 5.605 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.285 20.816 5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.470 20.031 7.964 1.00 0.00 H new ATOM 0 HD12 ILE A 118 10.208 21.036 7.212 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.959 20.367 8.842 1.00 0.00 H new ATOM 1800 N ALA A 119 6.347 21.683 7.710 1.00 0.00 N ATOM 1801 CA ALA A 119 6.135 23.117 7.559 1.00 0.00 C ATOM 1802 C ALA A 119 5.609 23.727 8.852 1.00 0.00 C ATOM 1803 O ALA A 119 5.892 24.882 9.171 1.00 0.00 O ATOM 1804 CB ALA A 119 5.175 23.393 6.411 1.00 0.00 C ATOM 0 H ALA A 119 5.555 21.107 7.424 1.00 0.00 H new ATOM 0 HA ALA A 119 7.094 23.581 7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 119 5.027 24.468 6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.592 22.996 5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.218 22.912 6.613 1.00 0.00 H new ATOM 1810 N LEU A 120 4.829 22.939 9.589 1.00 0.00 N ATOM 1811 CA LEU A 120 4.241 23.391 10.845 1.00 0.00 C ATOM 1812 C LEU A 120 5.303 23.905 11.810 1.00 0.00 C ATOM 1813 O LEU A 120 5.091 24.902 12.499 1.00 0.00 O ATOM 1814 CB LEU A 120 3.449 22.256 11.500 1.00 0.00 C ATOM 1815 CG LEU A 120 1.936 22.311 11.279 1.00 0.00 C ATOM 1816 CD1 LEU A 120 1.330 20.921 11.393 1.00 0.00 C ATOM 1817 CD2 LEU A 120 1.288 23.262 12.274 1.00 0.00 C ATOM 0 H LEU A 120 4.590 21.980 9.335 1.00 0.00 H new ATOM 0 HA LEU A 120 3.567 24.216 10.614 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.822 21.306 11.119 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.645 22.268 12.572 1.00 0.00 H new ATOM 0 HG LEU A 120 1.747 22.685 10.273 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.253 20.979 11.233 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.774 20.268 10.642 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.528 20.518 12.386 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.212 23.290 12.103 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.486 22.917 13.289 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.702 24.262 12.144 1.00 0.00 H new ATOM 1829 N PHE A 121 6.442 23.219 11.870 1.00 0.00 N ATOM 1830 CA PHE A 121 7.514 23.624 12.774 1.00 0.00 C ATOM 1831 C PHE A 121 7.865 25.102 12.607 1.00 0.00 C ATOM 1832 O PHE A 121 8.101 25.805 13.590 1.00 0.00 O ATOM 1833 CB PHE A 121 8.754 22.766 12.549 1.00 0.00 C ATOM 1834 CG PHE A 121 8.950 21.733 13.616 1.00 0.00 C ATOM 1835 CD1 PHE A 121 9.520 22.069 14.831 1.00 0.00 C ATOM 1836 CD2 PHE A 121 8.560 20.426 13.402 1.00 0.00 C ATOM 1837 CE1 PHE A 121 9.697 21.117 15.813 1.00 0.00 C ATOM 1838 CE2 PHE A 121 8.735 19.469 14.376 1.00 0.00 C ATOM 1839 CZ PHE A 121 9.306 19.814 15.585 1.00 0.00 C ATOM 0 H PHE A 121 6.645 22.390 11.311 1.00 0.00 H new ATOM 0 HA PHE A 121 7.155 23.477 13.793 1.00 0.00 H new ATOM 0 HB2 PHE A 121 8.676 22.271 11.581 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.633 23.410 12.508 1.00 0.00 H new ATOM 0 HD1 PHE A 121 9.830 23.088 15.012 1.00 0.00 H new ATOM 0 HD2 PHE A 121 8.112 20.151 12.459 1.00 0.00 H new ATOM 0 HE1 PHE A 121 10.141 21.391 16.759 1.00 0.00 H new ATOM 0 HE2 PHE A 121 8.426 18.450 14.195 1.00 0.00 H new ATOM 0 HZ PHE A 121 9.446 19.065 16.351 1.00 0.00 H new