USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=14 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 180:sc= -6.08! USER MOD Single : A 9 CYS SG : rot 28:sc= 0.112 USER MOD Single : A 13 GLN : amide:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 14 ASN : amide:sc= -3.58 K(o=-3.6,f=-12!) USER MOD Single : A 32 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0466 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0504 USER MOD Single : A 41 GLN : amide:sc= -9.88! C(o=-9.9!,f=-8.3!) USER MOD Single : A 44 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.16) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.0988 X(o=0.099,f=0) USER MOD Single : A 56 THR OG1 : rot 43:sc= 0.647 USER MOD Single : A 90 ASN : amide:sc= -0.047 K(o=-0.047,f=-1.7!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.074 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.53 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 158:sc= -2.07 (180deg=-3.1!) USER MOD Single : A 100 GLN : amide:sc= -0.931 X(o=-0.93,f=-0.48) USER MOD Single : A 102 THR OG1 : rot -92:sc= 1.31 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 109 LYS NZ :NH3+ 155:sc= -0.18 (180deg=-0.881) USER MOD Single : A 110 GLN : amide:sc= -0.345 K(o=-0.35,f=-2.9!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0944 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 16.662 1.051 13.148 1.00 0.00 N ATOM 91 CA THR A 7 16.446 1.509 11.780 1.00 0.00 C ATOM 92 C THR A 7 16.612 0.353 10.805 1.00 0.00 C ATOM 93 O THR A 7 17.606 -0.373 10.849 1.00 0.00 O ATOM 94 CB THR A 7 17.434 2.614 11.438 1.00 0.00 C ATOM 95 OG1 THR A 7 17.274 3.038 10.098 1.00 0.00 O ATOM 96 CG2 THR A 7 18.872 2.188 11.622 1.00 0.00 C ATOM 0 HA THR A 7 15.431 1.898 11.699 1.00 0.00 H new ATOM 0 HB THR A 7 17.217 3.429 12.129 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.918 3.750 9.901 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.533 3.016 11.364 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.037 1.903 12.661 1.00 0.00 H new ATOM 0 HG23 THR A 7 19.085 1.338 10.974 1.00 0.00 H new ATOM 104 N PHE A 8 15.631 0.180 9.933 1.00 0.00 N ATOM 105 CA PHE A 8 15.669 -0.901 8.952 1.00 0.00 C ATOM 106 C PHE A 8 14.982 -0.524 7.648 1.00 0.00 C ATOM 107 O PHE A 8 14.046 0.276 7.635 1.00 0.00 O ATOM 108 CB PHE A 8 15.007 -2.150 9.525 1.00 0.00 C ATOM 109 CG PHE A 8 14.037 -1.849 10.625 1.00 0.00 C ATOM 110 CD1 PHE A 8 14.479 -1.699 11.929 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.685 -1.718 10.353 1.00 0.00 C ATOM 112 CE1 PHE A 8 13.588 -1.424 12.948 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.790 -1.444 11.371 1.00 0.00 C ATOM 114 CZ PHE A 8 12.241 -1.298 12.668 1.00 0.00 C ATOM 0 H PHE A 8 14.801 0.770 9.882 1.00 0.00 H new ATOM 0 HA PHE A 8 16.719 -1.096 8.733 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.488 -2.678 8.725 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.778 -2.822 9.902 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.531 -1.798 12.151 1.00 0.00 H new ATOM 0 HD2 PHE A 8 12.328 -1.831 9.340 1.00 0.00 H new ATOM 0 HE1 PHE A 8 13.943 -1.308 13.961 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.737 -1.344 11.151 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.541 -1.085 13.463 1.00 0.00 H new ATOM 124 N CYS A 9 15.407 -1.158 6.565 1.00 0.00 N ATOM 125 CA CYS A 9 14.791 -0.942 5.267 1.00 0.00 C ATOM 126 C CYS A 9 13.693 -1.985 5.076 1.00 0.00 C ATOM 127 O CYS A 9 13.943 -3.183 5.206 1.00 0.00 O ATOM 128 CB CYS A 9 15.832 -1.054 4.151 1.00 0.00 C ATOM 129 SG CYS A 9 16.767 -2.601 4.165 1.00 0.00 S ATOM 0 H CYS A 9 16.177 -1.827 6.561 1.00 0.00 H new ATOM 0 HA CYS A 9 14.365 0.060 5.224 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.329 -0.955 3.189 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.529 -0.220 4.234 1.00 0.00 H new ATOM 0 HG CYS A 9 16.040 -3.542 4.690 1.00 0.00 H new ATOM 135 N VAL A 10 12.476 -1.534 4.798 1.00 0.00 N ATOM 136 CA VAL A 10 11.353 -2.452 4.628 1.00 0.00 C ATOM 137 C VAL A 10 10.903 -2.512 3.179 1.00 0.00 C ATOM 138 O VAL A 10 11.104 -1.574 2.415 1.00 0.00 O ATOM 139 CB VAL A 10 10.158 -2.051 5.531 1.00 0.00 C ATOM 140 CG1 VAL A 10 9.002 -1.462 4.727 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.683 -3.242 6.345 1.00 0.00 C ATOM 0 H VAL A 10 12.241 -0.548 4.686 1.00 0.00 H new ATOM 0 HA VAL A 10 11.701 -3.441 4.926 1.00 0.00 H new ATOM 0 HB VAL A 10 10.512 -1.274 6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.188 -1.196 5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.342 -0.571 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.649 -2.198 4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.844 -2.942 6.973 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.366 -4.039 5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.497 -3.600 6.975 1.00 0.00 H new ATOM 151 N VAL A 11 10.301 -3.627 2.801 1.00 0.00 N ATOM 152 CA VAL A 11 9.840 -3.794 1.440 1.00 0.00 C ATOM 153 C VAL A 11 8.465 -4.454 1.378 1.00 0.00 C ATOM 154 O VAL A 11 8.237 -5.505 1.976 1.00 0.00 O ATOM 155 CB VAL A 11 10.862 -4.596 0.624 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.281 -5.847 1.374 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.327 -4.937 -0.761 1.00 0.00 C ATOM 0 H VAL A 11 10.123 -4.422 3.414 1.00 0.00 H new ATOM 0 HA VAL A 11 9.740 -2.800 1.004 1.00 0.00 H new ATOM 0 HB VAL A 11 11.744 -3.971 0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.006 -6.402 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.732 -5.567 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.407 -6.472 1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.077 -5.505 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.420 -5.533 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.101 -4.017 -1.300 1.00 0.00 H new ATOM 167 N VAL A 12 7.558 -3.819 0.642 1.00 0.00 N ATOM 168 CA VAL A 12 6.199 -4.324 0.482 1.00 0.00 C ATOM 169 C VAL A 12 6.065 -5.112 -0.813 1.00 0.00 C ATOM 170 O VAL A 12 6.000 -4.535 -1.897 1.00 0.00 O ATOM 171 CB VAL A 12 5.166 -3.178 0.478 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.840 -2.756 1.898 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.671 -1.993 -0.334 1.00 0.00 C ATOM 0 H VAL A 12 7.742 -2.948 0.144 1.00 0.00 H new ATOM 0 HA VAL A 12 6.000 -4.977 1.332 1.00 0.00 H new ATOM 0 HB VAL A 12 4.253 -3.542 0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.110 -1.947 1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.427 -3.604 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.748 -2.413 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.925 -1.199 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.601 -1.624 0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.850 -2.306 -1.363 1.00 0.00 H new ATOM 183 N GLN A 13 6.019 -6.432 -0.693 1.00 0.00 N ATOM 184 CA GLN A 13 5.889 -7.297 -1.861 1.00 0.00 C ATOM 185 C GLN A 13 4.496 -7.912 -1.921 1.00 0.00 C ATOM 186 O GLN A 13 4.171 -8.811 -1.144 1.00 0.00 O ATOM 187 CB GLN A 13 6.946 -8.408 -1.831 1.00 0.00 C ATOM 188 CG GLN A 13 8.197 -8.052 -1.042 1.00 0.00 C ATOM 189 CD GLN A 13 9.201 -9.186 -0.994 1.00 0.00 C ATOM 190 OE1 GLN A 13 10.381 -9.000 -1.290 1.00 0.00 O ATOM 191 NE2 GLN A 13 8.736 -10.372 -0.617 1.00 0.00 N ATOM 0 H GLN A 13 6.069 -6.927 0.197 1.00 0.00 H new ATOM 0 HA GLN A 13 6.044 -6.687 -2.751 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.502 -9.306 -1.402 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.232 -8.651 -2.854 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.666 -7.176 -1.489 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.915 -7.779 -0.025 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.750 -10.481 -0.380 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.365 -11.173 -0.564 1.00 0.00 H new ATOM 200 N ASN A 14 3.677 -7.426 -2.846 1.00 0.00 N ATOM 201 CA ASN A 14 2.321 -7.936 -3.000 1.00 0.00 C ATOM 202 C ASN A 14 1.975 -8.126 -4.470 1.00 0.00 C ATOM 203 O ASN A 14 2.433 -7.376 -5.331 1.00 0.00 O ATOM 204 CB ASN A 14 1.313 -6.998 -2.331 1.00 0.00 C ATOM 205 CG ASN A 14 0.818 -7.548 -1.007 1.00 0.00 C ATOM 206 OD1 ASN A 14 1.504 -7.458 0.011 1.00 0.00 O ATOM 207 ND2 ASN A 14 -0.377 -8.129 -1.016 1.00 0.00 N ATOM 0 H ASN A 14 3.927 -6.683 -3.498 1.00 0.00 H new ATOM 0 HA ASN A 14 2.269 -8.908 -2.509 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.776 -6.024 -2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.465 -6.841 -2.998 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.759 -8.522 -0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.912 -8.182 -1.883 1.00 0.00 H new ATOM 482 N ASP A 31 7.197 -5.670 -4.855 1.00 0.00 N ATOM 483 CA ASP A 31 8.207 -5.347 -3.853 1.00 0.00 C ATOM 484 C ASP A 31 8.680 -3.901 -3.964 1.00 0.00 C ATOM 485 O ASP A 31 9.242 -3.490 -4.980 1.00 0.00 O ATOM 486 CB ASP A 31 9.403 -6.293 -3.972 1.00 0.00 C ATOM 487 CG ASP A 31 9.798 -6.560 -5.412 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.025 -7.236 -6.123 1.00 0.00 O ATOM 489 OD2 ASP A 31 10.879 -6.094 -5.828 1.00 0.00 O ATOM 0 HA ASP A 31 7.741 -5.473 -2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.253 -5.866 -3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.163 -7.238 -3.484 1.00 0.00 H new ATOM 494 N ASN A 32 8.468 -3.147 -2.892 1.00 0.00 N ATOM 495 CA ASN A 32 8.887 -1.751 -2.825 1.00 0.00 C ATOM 496 C ASN A 32 9.824 -1.573 -1.638 1.00 0.00 C ATOM 497 O ASN A 32 9.497 -1.987 -0.534 1.00 0.00 O ATOM 498 CB ASN A 32 7.669 -0.832 -2.685 1.00 0.00 C ATOM 499 CG ASN A 32 7.734 0.361 -3.618 1.00 0.00 C ATOM 500 OD1 ASN A 32 8.794 0.691 -4.150 1.00 0.00 O ATOM 501 ND2 ASN A 32 6.596 1.015 -3.821 1.00 0.00 N ATOM 0 H ASN A 32 8.003 -3.483 -2.048 1.00 0.00 H new ATOM 0 HA ASN A 32 9.407 -1.483 -3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.762 -1.401 -2.890 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.599 -0.481 -1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.577 1.826 -4.439 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.741 0.706 -3.359 1.00 0.00 H new ATOM 508 N SER A 33 10.998 -0.990 -1.863 1.00 0.00 N ATOM 509 CA SER A 33 11.967 -0.819 -0.783 1.00 0.00 C ATOM 510 C SER A 33 11.740 0.456 0.010 1.00 0.00 C ATOM 511 O SER A 33 11.332 1.487 -0.525 1.00 0.00 O ATOM 512 CB SER A 33 13.395 -0.821 -1.318 1.00 0.00 C ATOM 513 OG SER A 33 13.457 -0.265 -2.620 1.00 0.00 O ATOM 0 H SER A 33 11.299 -0.632 -2.769 1.00 0.00 H new ATOM 0 HA SER A 33 11.821 -1.668 -0.115 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.038 -0.252 -0.646 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.777 -1.842 -1.337 1.00 0.00 H new ATOM 0 HG SER A 33 14.384 -0.277 -2.937 1.00 0.00 H new ATOM 519 N LEU A 34 12.019 0.357 1.301 1.00 0.00 N ATOM 520 CA LEU A 34 11.868 1.472 2.223 1.00 0.00 C ATOM 521 C LEU A 34 13.205 1.774 2.910 1.00 0.00 C ATOM 522 O LEU A 34 13.954 0.860 3.252 1.00 0.00 O ATOM 523 CB LEU A 34 10.780 1.129 3.257 1.00 0.00 C ATOM 524 CG LEU A 34 10.664 2.053 4.458 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.643 1.599 5.522 1.00 0.00 C ATOM 526 CD2 LEU A 34 10.893 3.510 4.080 1.00 0.00 C ATOM 0 H LEU A 34 12.357 -0.500 1.739 1.00 0.00 H new ATOM 0 HA LEU A 34 11.565 2.365 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.818 1.113 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.964 0.118 3.622 1.00 0.00 H new ATOM 0 HG LEU A 34 9.648 1.996 4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.568 2.255 6.389 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.409 0.577 5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.657 1.638 5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.801 4.135 4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.892 3.624 3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.151 3.816 3.343 1.00 0.00 H new ATOM 538 N ALA A 35 13.498 3.058 3.106 1.00 0.00 N ATOM 539 CA ALA A 35 14.734 3.484 3.747 1.00 0.00 C ATOM 540 C ALA A 35 14.715 3.160 5.232 1.00 0.00 C ATOM 541 O ALA A 35 13.660 3.017 5.835 1.00 0.00 O ATOM 542 CB ALA A 35 14.951 4.969 3.539 1.00 0.00 C ATOM 0 H ALA A 35 12.888 3.826 2.826 1.00 0.00 H new ATOM 0 HA ALA A 35 15.559 2.939 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.879 5.273 4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.013 5.182 2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.118 5.523 3.972 1.00 0.00 H new ATOM 548 N ALA A 36 15.888 3.031 5.814 1.00 0.00 N ATOM 549 CA ALA A 36 15.994 2.687 7.225 1.00 0.00 C ATOM 550 C ALA A 36 15.564 3.841 8.124 1.00 0.00 C ATOM 551 O ALA A 36 16.244 4.862 8.227 1.00 0.00 O ATOM 552 CB ALA A 36 17.418 2.261 7.551 1.00 0.00 C ATOM 0 H ALA A 36 16.781 3.158 5.338 1.00 0.00 H new ATOM 0 HA ALA A 36 15.316 1.855 7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.488 2.006 8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.685 1.392 6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.103 3.080 7.329 1.00 0.00 H new ATOM 558 N VAL A 37 14.414 3.653 8.776 1.00 0.00 N ATOM 559 CA VAL A 37 13.854 4.655 9.677 1.00 0.00 C ATOM 560 C VAL A 37 13.500 4.034 11.026 1.00 0.00 C ATOM 561 O VAL A 37 13.676 2.834 11.232 1.00 0.00 O ATOM 562 CB VAL A 37 12.594 5.339 9.075 1.00 0.00 C ATOM 563 CG1 VAL A 37 12.564 5.196 7.560 1.00 0.00 C ATOM 564 CG2 VAL A 37 11.305 4.783 9.674 1.00 0.00 C ATOM 0 H VAL A 37 13.850 2.807 8.693 1.00 0.00 H new ATOM 0 HA VAL A 37 14.621 5.416 9.818 1.00 0.00 H new ATOM 0 HB VAL A 37 12.658 6.397 9.329 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.672 5.684 7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.451 5.663 7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.547 4.139 7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.449 5.288 9.227 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.242 3.714 9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.303 4.950 10.751 1.00 0.00 H new ATOM 574 N SER A 38 12.991 4.856 11.936 1.00 0.00 N ATOM 575 CA SER A 38 12.607 4.387 13.263 1.00 0.00 C ATOM 576 C SER A 38 11.694 3.161 13.177 1.00 0.00 C ATOM 577 O SER A 38 12.157 2.026 13.286 1.00 0.00 O ATOM 578 CB SER A 38 11.916 5.507 14.043 1.00 0.00 C ATOM 579 OG SER A 38 12.833 6.182 14.887 1.00 0.00 O ATOM 0 H SER A 38 12.834 5.852 11.780 1.00 0.00 H new ATOM 0 HA SER A 38 13.515 4.095 13.790 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.468 6.216 13.347 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.105 5.091 14.641 1.00 0.00 H new ATOM 0 HG SER A 38 12.367 6.894 15.373 1.00 0.00 H new ATOM 585 N GLU A 39 10.397 3.396 12.987 1.00 0.00 N ATOM 586 CA GLU A 39 9.427 2.305 12.896 1.00 0.00 C ATOM 587 C GLU A 39 8.262 2.648 11.959 1.00 0.00 C ATOM 588 O GLU A 39 7.516 1.763 11.540 1.00 0.00 O ATOM 589 CB GLU A 39 8.888 1.957 14.283 1.00 0.00 C ATOM 590 CG GLU A 39 8.092 0.664 14.316 1.00 0.00 C ATOM 591 CD GLU A 39 6.890 0.742 15.238 1.00 0.00 C ATOM 592 OE1 GLU A 39 6.143 1.741 15.156 1.00 0.00 O ATOM 593 OE2 GLU A 39 6.698 -0.193 16.041 1.00 0.00 O ATOM 0 H GLU A 39 9.994 4.328 12.893 1.00 0.00 H new ATOM 0 HA GLU A 39 9.949 1.443 12.479 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.723 1.878 14.979 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.256 2.773 14.634 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.756 0.422 13.307 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.741 -0.150 14.639 1.00 0.00 H new ATOM 600 N SER A 40 8.100 3.934 11.649 1.00 0.00 N ATOM 601 CA SER A 40 7.017 4.398 10.781 1.00 0.00 C ATOM 602 C SER A 40 6.803 3.495 9.563 1.00 0.00 C ATOM 603 O SER A 40 5.671 3.141 9.243 1.00 0.00 O ATOM 604 CB SER A 40 7.299 5.828 10.316 1.00 0.00 C ATOM 605 OG SER A 40 7.907 6.590 11.345 1.00 0.00 O ATOM 0 H SER A 40 8.710 4.678 11.989 1.00 0.00 H new ATOM 0 HA SER A 40 6.102 4.365 11.372 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.950 5.807 9.442 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.368 6.304 10.009 1.00 0.00 H new ATOM 0 HG SER A 40 8.078 7.499 11.021 1.00 0.00 H new ATOM 611 N GLN A 41 7.885 3.140 8.875 1.00 0.00 N ATOM 612 CA GLN A 41 7.785 2.296 7.681 1.00 0.00 C ATOM 613 C GLN A 41 6.994 1.024 7.942 1.00 0.00 C ATOM 614 O GLN A 41 6.392 0.459 7.028 1.00 0.00 O ATOM 615 CB GLN A 41 9.166 1.928 7.152 1.00 0.00 C ATOM 616 CG GLN A 41 10.174 1.534 8.220 1.00 0.00 C ATOM 617 CD GLN A 41 9.699 0.390 9.086 1.00 0.00 C ATOM 618 OE1 GLN A 41 9.316 -0.669 8.588 1.00 0.00 O ATOM 619 NE2 GLN A 41 9.722 0.604 10.391 1.00 0.00 N ATOM 0 H GLN A 41 8.835 3.419 9.119 1.00 0.00 H new ATOM 0 HA GLN A 41 7.253 2.884 6.933 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.062 1.102 6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.563 2.775 6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.112 1.255 7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.383 2.398 8.851 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.048 1.499 10.755 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.413 -0.126 11.033 1.00 0.00 H new ATOM 628 N LEU A 42 7.006 0.567 9.182 1.00 0.00 N ATOM 629 CA LEU A 42 6.296 -0.651 9.540 1.00 0.00 C ATOM 630 C LEU A 42 4.821 -0.369 9.771 1.00 0.00 C ATOM 631 O LEU A 42 3.961 -1.154 9.380 1.00 0.00 O ATOM 632 CB LEU A 42 6.913 -1.283 10.789 1.00 0.00 C ATOM 633 CG LEU A 42 6.319 -2.635 11.187 1.00 0.00 C ATOM 634 CD1 LEU A 42 7.105 -3.770 10.550 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.296 -2.783 12.701 1.00 0.00 C ATOM 0 H LEU A 42 7.496 1.017 9.955 1.00 0.00 H new ATOM 0 HA LEU A 42 6.387 -1.352 8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.983 -1.407 10.625 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.797 -0.592 11.624 1.00 0.00 H new ATOM 0 HG LEU A 42 5.293 -2.681 10.823 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.669 -4.725 10.844 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.069 -3.673 9.465 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.142 -3.727 10.884 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.870 -3.751 12.966 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.313 -2.716 13.089 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.689 -1.989 13.135 1.00 0.00 H new ATOM 647 N ALA A 43 4.537 0.757 10.408 1.00 0.00 N ATOM 648 CA ALA A 43 3.165 1.144 10.691 1.00 0.00 C ATOM 649 C ALA A 43 2.523 1.836 9.493 1.00 0.00 C ATOM 650 O ALA A 43 1.298 1.882 9.379 1.00 0.00 O ATOM 651 CB ALA A 43 3.118 2.045 11.912 1.00 0.00 C ATOM 0 H ALA A 43 5.240 1.419 10.739 1.00 0.00 H new ATOM 0 HA ALA A 43 2.594 0.238 10.895 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.085 2.329 12.115 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.524 1.513 12.772 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.711 2.941 11.726 1.00 0.00 H new ATOM 657 N GLN A 44 3.349 2.373 8.598 1.00 0.00 N ATOM 658 CA GLN A 44 2.842 3.055 7.415 1.00 0.00 C ATOM 659 C GLN A 44 2.229 2.054 6.441 1.00 0.00 C ATOM 660 O GLN A 44 1.106 2.236 5.971 1.00 0.00 O ATOM 661 CB GLN A 44 3.963 3.834 6.726 1.00 0.00 C ATOM 662 CG GLN A 44 3.469 5.009 5.898 1.00 0.00 C ATOM 663 CD GLN A 44 2.891 6.121 6.752 1.00 0.00 C ATOM 664 OE1 GLN A 44 1.674 6.260 6.870 1.00 0.00 O ATOM 665 NE2 GLN A 44 3.765 6.921 7.351 1.00 0.00 N ATOM 0 H GLN A 44 4.366 2.348 8.670 1.00 0.00 H new ATOM 0 HA GLN A 44 2.069 3.755 7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.657 4.200 7.482 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.522 3.156 6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.294 5.403 5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.710 4.662 5.197 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.766 6.769 7.225 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.436 7.688 7.937 1.00 0.00 H new ATOM 674 N LEU A 45 2.978 0.998 6.146 1.00 0.00 N ATOM 675 CA LEU A 45 2.518 -0.038 5.231 1.00 0.00 C ATOM 676 C LEU A 45 1.547 -0.986 5.925 1.00 0.00 C ATOM 677 O LEU A 45 0.580 -1.453 5.322 1.00 0.00 O ATOM 678 CB LEU A 45 3.714 -0.813 4.683 1.00 0.00 C ATOM 679 CG LEU A 45 4.818 0.064 4.093 1.00 0.00 C ATOM 680 CD1 LEU A 45 6.052 -0.759 3.759 1.00 0.00 C ATOM 681 CD2 LEU A 45 4.309 0.803 2.867 1.00 0.00 C ATOM 0 H LEU A 45 3.910 0.837 6.529 1.00 0.00 H new ATOM 0 HA LEU A 45 1.991 0.439 4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.137 -1.419 5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.364 -1.502 3.914 1.00 0.00 H new ATOM 0 HG LEU A 45 5.106 0.800 4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.821 -0.109 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.430 -1.232 4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.791 -1.527 3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.107 1.423 2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.988 0.082 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.466 1.435 3.147 1.00 0.00 H new ATOM 692 N LYS A 46 1.809 -1.263 7.196 1.00 0.00 N ATOM 693 CA LYS A 46 0.958 -2.153 7.978 1.00 0.00 C ATOM 694 C LYS A 46 -0.414 -1.529 8.208 1.00 0.00 C ATOM 695 O LYS A 46 -1.411 -2.236 8.355 1.00 0.00 O ATOM 696 CB LYS A 46 1.613 -2.474 9.323 1.00 0.00 C ATOM 697 CG LYS A 46 0.813 -3.450 10.170 1.00 0.00 C ATOM 698 CD LYS A 46 1.719 -4.436 10.889 1.00 0.00 C ATOM 699 CE LYS A 46 1.118 -5.831 10.909 1.00 0.00 C ATOM 700 NZ LYS A 46 0.155 -6.006 12.032 1.00 0.00 N ATOM 0 H LYS A 46 2.605 -0.884 7.709 1.00 0.00 H new ATOM 0 HA LYS A 46 0.831 -3.077 7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.605 -2.888 9.145 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.750 -1.548 9.882 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.221 -2.899 10.901 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.112 -3.994 9.536 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.691 -4.464 10.397 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.889 -4.097 11.911 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.611 -6.021 9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.916 -6.569 10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.232 -6.971 12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.644 -5.850 12.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.620 -5.320 11.935 1.00 0.00 H new ATOM 714 N ALA A 47 -0.459 -0.199 8.237 1.00 0.00 N ATOM 715 CA ALA A 47 -1.711 0.521 8.449 1.00 0.00 C ATOM 716 C ALA A 47 -2.812 -0.004 7.533 1.00 0.00 C ATOM 717 O ALA A 47 -3.995 0.058 7.868 1.00 0.00 O ATOM 718 CB ALA A 47 -1.504 2.011 8.223 1.00 0.00 C ATOM 0 H ALA A 47 0.357 0.401 8.116 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.025 0.357 9.480 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.445 2.538 8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.755 2.384 8.921 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.164 2.180 7.201 1.00 0.00 H new ATOM 724 N ASP A 48 -2.414 -0.526 6.377 1.00 0.00 N ATOM 725 CA ASP A 48 -3.365 -1.066 5.414 1.00 0.00 C ATOM 726 C ASP A 48 -3.392 -2.590 5.477 1.00 0.00 C ATOM 727 O ASP A 48 -2.480 -3.255 4.985 1.00 0.00 O ATOM 728 CB ASP A 48 -3.006 -0.604 3.999 1.00 0.00 C ATOM 729 CG ASP A 48 -4.215 -0.123 3.219 1.00 0.00 C ATOM 730 OD1 ASP A 48 -5.342 -0.219 3.748 1.00 0.00 O ATOM 731 OD2 ASP A 48 -4.033 0.348 2.077 1.00 0.00 O ATOM 0 H ASP A 48 -1.439 -0.586 6.085 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.357 -0.693 5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.273 0.200 4.058 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.534 -1.426 3.461 1.00 0.00 H new ATOM 736 N PRO A 49 -4.442 -3.165 6.085 1.00 0.00 N ATOM 737 CA PRO A 49 -4.581 -4.617 6.208 1.00 0.00 C ATOM 738 C PRO A 49 -4.958 -5.275 4.885 1.00 0.00 C ATOM 739 O PRO A 49 -6.054 -5.816 4.737 1.00 0.00 O ATOM 740 CB PRO A 49 -5.707 -4.771 7.229 1.00 0.00 C ATOM 741 CG PRO A 49 -6.537 -3.549 7.054 1.00 0.00 C ATOM 742 CD PRO A 49 -5.577 -2.447 6.702 1.00 0.00 C ATOM 0 HA PRO A 49 -3.649 -5.099 6.505 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.288 -5.675 7.046 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.316 -4.843 8.244 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.277 -3.689 6.266 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.084 -3.314 7.967 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.023 -1.731 6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.267 -1.888 7.584 1.00 0.00 H new ATOM 750 N ARG A 50 -4.042 -5.222 3.924 1.00 0.00 N ATOM 751 CA ARG A 50 -4.279 -5.808 2.610 1.00 0.00 C ATOM 752 C ARG A 50 -2.994 -6.386 2.020 1.00 0.00 C ATOM 753 O ARG A 50 -3.012 -7.446 1.394 1.00 0.00 O ATOM 754 CB ARG A 50 -4.862 -4.760 1.661 1.00 0.00 C ATOM 755 CG ARG A 50 -6.174 -4.164 2.147 1.00 0.00 C ATOM 756 CD ARG A 50 -5.947 -2.874 2.917 1.00 0.00 C ATOM 757 NE ARG A 50 -6.990 -1.887 2.649 1.00 0.00 N ATOM 758 CZ ARG A 50 -7.053 -1.158 1.538 1.00 0.00 C ATOM 759 NH1 ARG A 50 -6.136 -1.302 0.589 1.00 0.00 N ATOM 760 NH2 ARG A 50 -8.036 -0.284 1.373 1.00 0.00 N ATOM 0 H ARG A 50 -3.129 -4.780 4.030 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.994 -6.622 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.136 -3.958 1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.019 -5.215 0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.825 -3.971 1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.688 -4.884 2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.917 -3.090 3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.976 -2.458 2.649 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.713 -1.749 3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.378 -1.974 0.710 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.189 -0.741 -0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.744 -0.170 2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.084 0.275 0.521 1.00 0.00 H new ATOM 774 N LEU A 51 -1.880 -5.687 2.223 1.00 0.00 N ATOM 775 CA LEU A 51 -0.592 -6.141 1.708 1.00 0.00 C ATOM 776 C LEU A 51 0.249 -6.755 2.825 1.00 0.00 C ATOM 777 O LEU A 51 -0.259 -7.041 3.909 1.00 0.00 O ATOM 778 CB LEU A 51 0.165 -4.983 1.043 1.00 0.00 C ATOM 779 CG LEU A 51 -0.710 -3.908 0.390 1.00 0.00 C ATOM 780 CD1 LEU A 51 -1.839 -4.543 -0.409 1.00 0.00 C ATOM 781 CD2 LEU A 51 -1.261 -2.953 1.438 1.00 0.00 C ATOM 0 H LEU A 51 -1.843 -4.808 2.738 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.778 -6.907 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.795 -4.506 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.830 -5.396 0.284 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.088 -3.335 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.447 -3.761 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.420 -5.177 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.459 -5.146 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.879 -2.198 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.864 -3.509 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.435 -2.467 1.957 1.00 0.00 H new ATOM 793 N VAL A 52 1.534 -6.969 2.553 1.00 0.00 N ATOM 794 CA VAL A 52 2.431 -7.567 3.537 1.00 0.00 C ATOM 795 C VAL A 52 3.691 -6.733 3.738 1.00 0.00 C ATOM 796 O VAL A 52 4.586 -6.725 2.892 1.00 0.00 O ATOM 797 CB VAL A 52 2.857 -8.981 3.113 1.00 0.00 C ATOM 798 CG1 VAL A 52 3.552 -9.708 4.254 1.00 0.00 C ATOM 799 CG2 VAL A 52 1.662 -9.778 2.609 1.00 0.00 C ATOM 0 H VAL A 52 1.976 -6.738 1.663 1.00 0.00 H new ATOM 0 HA VAL A 52 1.872 -7.609 4.472 1.00 0.00 H new ATOM 0 HB VAL A 52 3.570 -8.885 2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.843 -10.706 3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.440 -9.151 4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.872 -9.788 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.988 -10.776 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.918 -9.859 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.223 -9.271 1.749 1.00 0.00 H new ATOM 809 N VAL A 53 3.765 -6.057 4.875 1.00 0.00 N ATOM 810 CA VAL A 53 4.929 -5.242 5.209 1.00 0.00 C ATOM 811 C VAL A 53 5.801 -5.966 6.228 1.00 0.00 C ATOM 812 O VAL A 53 5.404 -6.163 7.376 1.00 0.00 O ATOM 813 CB VAL A 53 4.520 -3.856 5.753 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.378 -3.980 6.750 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.705 -3.129 6.380 1.00 0.00 C ATOM 0 H VAL A 53 3.032 -6.055 5.585 1.00 0.00 H new ATOM 0 HA VAL A 53 5.497 -5.085 4.292 1.00 0.00 H new ATOM 0 HB VAL A 53 4.175 -3.261 4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.108 -2.990 7.119 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.516 -4.433 6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.691 -4.606 7.586 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.380 -2.157 6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.099 -3.721 7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.484 -2.989 5.630 1.00 0.00 H new ATOM 825 N GLN A 54 6.983 -6.375 5.788 1.00 0.00 N ATOM 826 CA GLN A 54 7.914 -7.101 6.650 1.00 0.00 C ATOM 827 C GLN A 54 9.293 -6.449 6.659 1.00 0.00 C ATOM 828 O GLN A 54 9.750 -5.921 5.646 1.00 0.00 O ATOM 829 CB GLN A 54 8.030 -8.558 6.193 1.00 0.00 C ATOM 830 CG GLN A 54 7.931 -9.561 7.330 1.00 0.00 C ATOM 831 CD GLN A 54 6.525 -10.099 7.512 1.00 0.00 C ATOM 832 OE1 GLN A 54 6.291 -11.303 7.414 1.00 0.00 O ATOM 833 NE2 GLN A 54 5.579 -9.205 7.778 1.00 0.00 N ATOM 0 H GLN A 54 7.323 -6.218 4.839 1.00 0.00 H new ATOM 0 HA GLN A 54 7.519 -7.070 7.666 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.244 -8.766 5.467 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.982 -8.695 5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.611 -10.391 7.138 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.258 -9.088 8.256 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.818 -8.216 7.850 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.614 -9.508 7.910 1.00 0.00 H new ATOM 842 N ILE A 55 9.953 -6.495 7.815 1.00 0.00 N ATOM 843 CA ILE A 55 11.284 -5.913 7.961 1.00 0.00 C ATOM 844 C ILE A 55 12.362 -6.996 7.972 1.00 0.00 C ATOM 845 O ILE A 55 12.279 -7.962 8.730 1.00 0.00 O ATOM 846 CB ILE A 55 11.398 -5.043 9.242 1.00 0.00 C ATOM 847 CG1 ILE A 55 11.641 -5.904 10.487 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.146 -4.193 9.429 1.00 0.00 C ATOM 849 CD1 ILE A 55 10.518 -6.870 10.791 1.00 0.00 C ATOM 0 H ILE A 55 9.587 -6.929 8.663 1.00 0.00 H new ATOM 0 HA ILE A 55 11.441 -5.267 7.097 1.00 0.00 H new ATOM 0 HB ILE A 55 12.257 -4.384 9.114 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.565 -6.466 10.353 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.787 -5.250 11.347 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.246 -3.591 10.332 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.020 -3.537 8.568 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.276 -4.843 9.521 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.763 -7.443 11.685 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.595 -6.314 10.958 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.385 -7.550 9.949 1.00 0.00 H new ATOM 861 N THR A 56 13.373 -6.825 7.126 1.00 0.00 N ATOM 862 CA THR A 56 14.467 -7.784 7.038 1.00 0.00 C ATOM 863 C THR A 56 15.805 -7.104 7.306 1.00 0.00 C ATOM 864 O THR A 56 16.331 -6.389 6.454 1.00 0.00 O ATOM 865 CB THR A 56 14.485 -8.447 5.660 1.00 0.00 C ATOM 866 OG1 THR A 56 14.583 -7.473 4.636 1.00 0.00 O ATOM 867 CG2 THR A 56 13.255 -9.283 5.383 1.00 0.00 C ATOM 0 H THR A 56 13.457 -6.031 6.492 1.00 0.00 H new ATOM 0 HA THR A 56 14.309 -8.550 7.797 1.00 0.00 H new ATOM 0 HB THR A 56 15.356 -9.102 5.666 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.247 -6.798 4.889 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.332 -9.725 4.389 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.178 -10.075 6.128 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.368 -8.652 5.432 1.00 0.00 H new ATOM 1312 N LEU A 89 -1.597 -43.855 11.335 1.00 0.00 N ATOM 1313 CA LEU A 89 -0.962 -44.999 10.680 1.00 0.00 C ATOM 1314 C LEU A 89 0.443 -45.246 11.227 1.00 0.00 C ATOM 1315 O LEU A 89 0.747 -46.336 11.706 1.00 0.00 O ATOM 1316 CB LEU A 89 -0.902 -44.793 9.164 1.00 0.00 C ATOM 1317 CG LEU A 89 -0.403 -46.000 8.368 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -1.244 -47.228 8.677 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -0.422 -45.698 6.878 1.00 0.00 C ATOM 0 HA LEU A 89 -1.572 -45.876 10.894 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.898 -44.529 8.808 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.252 -43.944 8.953 1.00 0.00 H new ATOM 0 HG LEU A 89 0.625 -46.207 8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.874 -48.077 8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.179 -47.455 9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.283 -47.034 8.410 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.064 -46.567 6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.440 -45.465 6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.225 -44.845 6.671 1.00 0.00 H new ATOM 1331 N ASN A 90 1.300 -44.231 11.153 1.00 0.00 N ATOM 1332 CA ASN A 90 2.670 -44.350 11.643 1.00 0.00 C ATOM 1333 C ASN A 90 2.705 -44.939 13.053 1.00 0.00 C ATOM 1334 O ASN A 90 3.460 -45.872 13.328 1.00 0.00 O ATOM 1335 CB ASN A 90 3.358 -42.985 11.632 1.00 0.00 C ATOM 1336 CG ASN A 90 4.869 -43.098 11.673 1.00 0.00 C ATOM 1337 OD1 ASN A 90 5.425 -44.188 11.534 1.00 0.00 O ATOM 1338 ND2 ASN A 90 5.542 -41.970 11.865 1.00 0.00 N ATOM 0 H ASN A 90 1.070 -43.319 10.759 1.00 0.00 H new ATOM 0 HA ASN A 90 3.205 -45.027 10.977 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.062 -42.439 10.736 1.00 0.00 H new ATOM 0 HB3 ASN A 90 3.017 -42.402 12.488 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.561 -41.984 11.902 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.040 -41.089 11.975 1.00 0.00 H new ATOM 1345 N THR A 91 1.892 -44.379 13.946 1.00 0.00 N ATOM 1346 CA THR A 91 1.841 -44.840 15.332 1.00 0.00 C ATOM 1347 C THR A 91 1.380 -46.299 15.449 1.00 0.00 C ATOM 1348 O THR A 91 1.526 -46.908 16.509 1.00 0.00 O ATOM 1349 CB THR A 91 0.913 -43.938 16.148 1.00 0.00 C ATOM 1350 OG1 THR A 91 -0.031 -43.299 15.308 1.00 0.00 O ATOM 1351 CG2 THR A 91 1.649 -42.860 16.915 1.00 0.00 C ATOM 0 H THR A 91 1.260 -43.606 13.735 1.00 0.00 H new ATOM 0 HA THR A 91 2.856 -44.787 15.726 1.00 0.00 H new ATOM 0 HB THR A 91 0.422 -44.599 16.862 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.616 -42.728 15.848 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.933 -42.256 17.472 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.351 -43.322 17.609 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.194 -42.224 16.217 1.00 0.00 H new ATOM 1359 N PHE A 92 0.825 -46.864 14.375 1.00 0.00 N ATOM 1360 CA PHE A 92 0.363 -48.247 14.409 1.00 0.00 C ATOM 1361 C PHE A 92 1.535 -49.208 14.250 1.00 0.00 C ATOM 1362 O PHE A 92 2.441 -48.969 13.451 1.00 0.00 O ATOM 1363 CB PHE A 92 -0.677 -48.503 13.311 1.00 0.00 C ATOM 1364 CG PHE A 92 -2.032 -47.917 13.608 1.00 0.00 C ATOM 1365 CD1 PHE A 92 -2.154 -46.669 14.203 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -3.185 -48.617 13.291 1.00 0.00 C ATOM 1367 CE1 PHE A 92 -3.399 -46.135 14.475 1.00 0.00 C ATOM 1368 CE2 PHE A 92 -4.431 -48.086 13.561 1.00 0.00 C ATOM 1369 CZ PHE A 92 -4.539 -46.843 14.154 1.00 0.00 C ATOM 0 H PHE A 92 0.687 -46.390 13.483 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.105 -48.420 15.378 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.310 -48.088 12.372 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.781 -49.578 13.165 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.266 -46.109 14.456 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.108 -49.589 12.827 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.480 -45.163 14.939 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.321 -48.643 13.308 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.513 -46.427 14.366 1.00 0.00 H new ATOM 1379 N THR A 93 1.516 -50.293 15.017 1.00 0.00 N ATOM 1380 CA THR A 93 2.584 -51.285 14.958 1.00 0.00 C ATOM 1381 C THR A 93 2.023 -52.689 14.750 1.00 0.00 C ATOM 1382 O THR A 93 2.186 -53.278 13.682 1.00 0.00 O ATOM 1383 CB THR A 93 3.444 -51.234 16.230 1.00 0.00 C ATOM 1384 OG1 THR A 93 4.078 -52.481 16.463 1.00 0.00 O ATOM 1385 CG2 THR A 93 2.668 -50.874 17.482 1.00 0.00 C ATOM 0 H THR A 93 0.775 -50.508 15.685 1.00 0.00 H new ATOM 0 HA THR A 93 3.215 -51.043 14.103 1.00 0.00 H new ATOM 0 HB THR A 93 4.173 -50.446 16.041 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.621 -52.425 17.277 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.344 -50.858 18.337 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.215 -49.890 17.359 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.886 -51.614 17.651 1.00 0.00 H new ATOM 1393 N VAL A 94 1.366 -53.221 15.772 1.00 0.00 N ATOM 1394 CA VAL A 94 0.786 -54.556 15.694 1.00 0.00 C ATOM 1395 C VAL A 94 -0.409 -54.700 16.633 1.00 0.00 C ATOM 1396 O VAL A 94 -1.441 -55.258 16.264 1.00 0.00 O ATOM 1397 CB VAL A 94 1.828 -55.639 16.037 1.00 0.00 C ATOM 1398 CG1 VAL A 94 1.244 -57.030 15.833 1.00 0.00 C ATOM 1399 CG2 VAL A 94 3.085 -55.455 15.199 1.00 0.00 C ATOM 0 H VAL A 94 1.221 -52.749 16.665 1.00 0.00 H new ATOM 0 HA VAL A 94 0.450 -54.693 14.666 1.00 0.00 H new ATOM 0 HB VAL A 94 2.099 -55.534 17.088 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.995 -57.780 16.080 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.376 -57.159 16.480 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.942 -57.149 14.792 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.809 -56.228 15.455 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.832 -55.531 14.142 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.516 -54.474 15.400 1.00 0.00 H new ATOM 1409 N GLU A 95 -0.255 -54.198 17.851 1.00 0.00 N ATOM 1410 CA GLU A 95 -1.311 -54.271 18.854 1.00 0.00 C ATOM 1411 C GLU A 95 -2.344 -53.162 18.666 1.00 0.00 C ATOM 1412 O GLU A 95 -3.469 -53.263 19.155 1.00 0.00 O ATOM 1413 CB GLU A 95 -0.711 -54.190 20.259 1.00 0.00 C ATOM 1414 CG GLU A 95 0.225 -53.009 20.453 1.00 0.00 C ATOM 1415 CD GLU A 95 1.650 -53.434 20.751 1.00 0.00 C ATOM 1416 OE1 GLU A 95 1.832 -54.419 21.498 1.00 0.00 O ATOM 1417 OE2 GLU A 95 2.584 -52.784 20.238 1.00 0.00 O ATOM 0 H GLU A 95 0.595 -53.733 18.170 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.819 -55.228 18.730 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.520 -54.126 20.987 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.168 -55.112 20.467 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.215 -52.391 19.555 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.143 -52.389 21.270 1.00 0.00 H new ATOM 1424 N GLN A 96 -1.956 -52.098 17.968 1.00 0.00 N ATOM 1425 CA GLN A 96 -2.851 -50.971 17.736 1.00 0.00 C ATOM 1426 C GLN A 96 -3.879 -51.306 16.668 1.00 0.00 C ATOM 1427 O GLN A 96 -5.066 -51.024 16.824 1.00 0.00 O ATOM 1428 CB GLN A 96 -2.049 -49.732 17.328 1.00 0.00 C ATOM 1429 CG GLN A 96 -2.065 -48.626 18.372 1.00 0.00 C ATOM 1430 CD GLN A 96 -0.789 -48.577 19.189 1.00 0.00 C ATOM 1431 OE1 GLN A 96 -0.501 -49.486 19.968 1.00 0.00 O ATOM 1432 NE2 GLN A 96 -0.016 -47.511 19.017 1.00 0.00 N ATOM 0 H GLN A 96 -1.029 -51.994 17.554 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.380 -50.759 18.665 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.017 -50.025 17.136 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.449 -49.342 16.392 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.212 -47.666 17.877 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.914 -48.774 19.039 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.293 -46.781 18.361 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.855 -47.422 19.541 1.00 0.00 H new ATOM 1441 N LEU A 97 -3.416 -51.909 15.585 1.00 0.00 N ATOM 1442 CA LEU A 97 -4.306 -52.286 14.489 1.00 0.00 C ATOM 1443 C LEU A 97 -5.378 -53.237 14.986 1.00 0.00 C ATOM 1444 O LEU A 97 -6.572 -52.955 14.905 1.00 0.00 O ATOM 1445 CB LEU A 97 -3.534 -52.970 13.351 1.00 0.00 C ATOM 1446 CG LEU A 97 -2.110 -53.450 13.685 1.00 0.00 C ATOM 1447 CD1 LEU A 97 -2.021 -54.956 13.627 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -1.109 -52.844 12.730 1.00 0.00 C ATOM 0 H LEU A 97 -2.436 -52.149 15.438 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.761 -51.371 14.111 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.114 -53.829 13.012 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.473 -52.276 12.513 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.878 -53.125 14.699 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.005 -55.270 13.867 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.714 -55.389 14.348 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.279 -55.297 12.625 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.108 -53.195 12.981 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.352 -53.142 11.710 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.143 -51.757 12.808 1.00 0.00 H new ATOM 1460 N LYS A 98 -4.933 -54.364 15.507 1.00 0.00 N ATOM 1461 CA LYS A 98 -5.850 -55.375 16.029 1.00 0.00 C ATOM 1462 C LYS A 98 -6.731 -54.797 17.134 1.00 0.00 C ATOM 1463 O LYS A 98 -7.872 -55.223 17.314 1.00 0.00 O ATOM 1464 CB LYS A 98 -5.076 -56.582 16.560 1.00 0.00 C ATOM 1465 CG LYS A 98 -5.936 -57.828 16.713 1.00 0.00 C ATOM 1466 CD LYS A 98 -5.325 -59.023 15.998 1.00 0.00 C ATOM 1467 CE LYS A 98 -5.160 -58.763 14.508 1.00 0.00 C ATOM 1468 NZ LYS A 98 -3.884 -59.327 13.986 1.00 0.00 N ATOM 0 H LYS A 98 -3.946 -54.608 15.583 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.490 -55.698 15.208 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.249 -56.800 15.884 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.640 -56.329 17.526 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.057 -58.059 17.771 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.932 -57.635 16.314 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.354 -59.252 16.437 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.957 -59.898 16.147 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.999 -59.201 13.967 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.186 -57.689 14.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.962 -59.470 12.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.105 -58.667 14.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.692 -60.238 14.449 1.00 0.00 H new ATOM 1482 N ALA A 99 -6.199 -53.827 17.872 1.00 0.00 N ATOM 1483 CA ALA A 99 -6.946 -53.198 18.954 1.00 0.00 C ATOM 1484 C ALA A 99 -7.834 -52.075 18.442 1.00 0.00 C ATOM 1485 O ALA A 99 -8.800 -51.680 19.096 1.00 0.00 O ATOM 1486 CB ALA A 99 -6.000 -52.683 20.028 1.00 0.00 C ATOM 0 H ALA A 99 -5.256 -53.461 17.740 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.593 -53.957 19.393 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.576 -52.217 20.827 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.423 -53.514 20.434 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.322 -51.949 19.594 1.00 0.00 H new ATOM 1492 N GLN A 100 -7.490 -51.560 17.277 1.00 0.00 N ATOM 1493 CA GLN A 100 -8.239 -50.470 16.664 1.00 0.00 C ATOM 1494 C GLN A 100 -9.429 -50.987 15.867 1.00 0.00 C ATOM 1495 O GLN A 100 -10.495 -50.372 15.865 1.00 0.00 O ATOM 1496 CB GLN A 100 -7.327 -49.639 15.760 1.00 0.00 C ATOM 1497 CG GLN A 100 -6.620 -48.505 16.485 1.00 0.00 C ATOM 1498 CD GLN A 100 -7.366 -47.188 16.379 1.00 0.00 C ATOM 1499 OE1 GLN A 100 -6.759 -46.132 16.201 1.00 0.00 O ATOM 1500 NE2 GLN A 100 -8.688 -47.244 16.489 1.00 0.00 N ATOM 0 H GLN A 100 -6.691 -51.879 16.729 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.620 -49.840 17.468 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.580 -50.294 15.311 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.919 -49.224 14.944 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.503 -48.768 17.536 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.618 -48.385 16.073 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.150 -48.141 16.636 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.242 -46.390 16.426 1.00 0.00 H new ATOM 1509 N LEU A 101 -9.254 -52.119 15.194 1.00 0.00 N ATOM 1510 CA LEU A 101 -10.336 -52.696 14.405 1.00 0.00 C ATOM 1511 C LEU A 101 -11.473 -53.106 15.324 1.00 0.00 C ATOM 1512 O LEU A 101 -12.643 -52.836 15.053 1.00 0.00 O ATOM 1513 CB LEU A 101 -9.860 -53.926 13.619 1.00 0.00 C ATOM 1514 CG LEU A 101 -9.126 -53.660 12.294 1.00 0.00 C ATOM 1515 CD1 LEU A 101 -9.216 -54.880 11.390 1.00 0.00 C ATOM 1516 CD2 LEU A 101 -9.683 -52.435 11.577 1.00 0.00 C ATOM 0 H LEU A 101 -8.383 -52.650 15.178 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.675 -51.941 13.696 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.199 -54.506 14.263 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -10.728 -54.551 13.407 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.080 -53.461 12.529 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.693 -54.679 10.455 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.757 -55.735 11.886 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.263 -55.101 11.180 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -9.139 -52.280 10.645 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -10.739 -52.590 11.358 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -9.569 -51.558 12.214 1.00 0.00 H new ATOM 1528 N THR A 102 -11.111 -53.762 16.418 1.00 0.00 N ATOM 1529 CA THR A 102 -12.087 -54.219 17.391 1.00 0.00 C ATOM 1530 C THR A 102 -12.807 -53.044 18.027 1.00 0.00 C ATOM 1531 O THR A 102 -14.017 -53.091 18.251 1.00 0.00 O ATOM 1532 CB THR A 102 -11.404 -55.053 18.470 1.00 0.00 C ATOM 1533 OG1 THR A 102 -10.046 -54.675 18.616 1.00 0.00 O ATOM 1534 CG2 THR A 102 -11.441 -56.529 18.174 1.00 0.00 C ATOM 0 H THR A 102 -10.145 -53.989 16.652 1.00 0.00 H new ATOM 0 HA THR A 102 -12.821 -54.835 16.872 1.00 0.00 H new ATOM 0 HB THR A 102 -11.961 -54.862 19.388 1.00 0.00 H new ATOM 0 HG1 THR A 102 -9.486 -55.239 18.043 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.941 -57.073 18.975 1.00 0.00 H new ATOM 0 HG22 THR A 102 -12.477 -56.860 18.103 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.932 -56.724 17.230 1.00 0.00 H new ATOM 1542 N GLU A 103 -12.059 -51.989 18.318 1.00 0.00 N ATOM 1543 CA GLU A 103 -12.639 -50.807 18.929 1.00 0.00 C ATOM 1544 C GLU A 103 -13.393 -49.968 17.903 1.00 0.00 C ATOM 1545 O GLU A 103 -14.062 -48.994 18.250 1.00 0.00 O ATOM 1546 CB GLU A 103 -11.560 -49.964 19.612 1.00 0.00 C ATOM 1547 CG GLU A 103 -12.050 -49.241 20.856 1.00 0.00 C ATOM 1548 CD GLU A 103 -11.002 -49.185 21.949 1.00 0.00 C ATOM 1549 OE1 GLU A 103 -10.029 -48.416 21.800 1.00 0.00 O ATOM 1550 OE2 GLU A 103 -11.154 -49.910 22.955 1.00 0.00 O ATOM 0 H GLU A 103 -11.056 -51.929 18.141 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.351 -51.141 19.684 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.724 -50.609 19.882 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.180 -49.230 18.901 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.346 -48.226 20.589 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.940 -49.743 21.236 1.00 0.00 H new ATOM 1557 N ARG A 104 -13.284 -50.357 16.641 1.00 0.00 N ATOM 1558 CA ARG A 104 -13.958 -49.649 15.559 1.00 0.00 C ATOM 1559 C ARG A 104 -15.214 -50.397 15.113 1.00 0.00 C ATOM 1560 O ARG A 104 -16.065 -49.840 14.421 1.00 0.00 O ATOM 1561 CB ARG A 104 -13.011 -49.470 14.373 1.00 0.00 C ATOM 1562 CG ARG A 104 -13.465 -48.406 13.388 1.00 0.00 C ATOM 1563 CD ARG A 104 -12.281 -47.710 12.734 1.00 0.00 C ATOM 1564 NE ARG A 104 -11.973 -46.434 13.378 1.00 0.00 N ATOM 1565 CZ ARG A 104 -10.805 -45.807 13.259 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -9.833 -46.332 12.523 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -10.609 -44.651 13.879 1.00 0.00 N ATOM 0 H ARG A 104 -12.734 -51.161 16.339 1.00 0.00 H new ATOM 0 HA ARG A 104 -14.255 -48.669 15.931 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -12.020 -49.209 14.746 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.914 -50.421 13.849 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -14.090 -48.862 12.620 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -14.081 -47.670 13.904 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.407 -48.360 12.780 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.497 -47.541 11.679 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.695 -45.999 13.952 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.979 -47.221 12.045 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.940 -45.846 12.436 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.353 -44.244 14.446 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.714 -44.169 13.789 1.00 0.00 H new ATOM 1581 N GLY A 105 -15.326 -51.662 15.516 1.00 0.00 N ATOM 1582 CA GLY A 105 -16.481 -52.458 15.146 1.00 0.00 C ATOM 1583 C GLY A 105 -16.400 -52.964 13.720 1.00 0.00 C ATOM 1584 O GLY A 105 -17.246 -52.633 12.888 1.00 0.00 O ATOM 0 H GLY A 105 -14.637 -52.147 16.091 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -16.567 -53.306 15.825 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -17.385 -51.860 15.266 1.00 0.00 H new ATOM 1588 N ILE A 106 -15.378 -53.764 13.435 1.00 0.00 N ATOM 1589 CA ILE A 106 -15.189 -54.314 12.098 1.00 0.00 C ATOM 1590 C ILE A 106 -14.459 -55.656 12.152 1.00 0.00 C ATOM 1591 O ILE A 106 -13.230 -55.704 12.166 1.00 0.00 O ATOM 1592 CB ILE A 106 -14.394 -53.339 11.205 1.00 0.00 C ATOM 1593 CG1 ILE A 106 -14.234 -53.911 9.794 1.00 0.00 C ATOM 1594 CG2 ILE A 106 -13.037 -53.040 11.819 1.00 0.00 C ATOM 1595 CD1 ILE A 106 -14.117 -52.851 8.722 1.00 0.00 C ATOM 0 H ILE A 106 -14.668 -54.046 14.111 1.00 0.00 H new ATOM 0 HA ILE A 106 -16.180 -54.465 11.669 1.00 0.00 H new ATOM 0 HB ILE A 106 -14.951 -52.405 11.134 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -13.347 -54.544 9.766 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -15.089 -54.549 9.570 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -12.490 -52.351 11.175 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -13.174 -52.588 12.801 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -12.472 -53.966 11.921 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -14.006 -53.329 7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -15.014 -52.232 8.723 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -13.246 -52.227 8.921 1.00 0.00 H new ATOM 1607 N THR A 107 -15.223 -56.746 12.179 1.00 0.00 N ATOM 1608 CA THR A 107 -14.650 -58.090 12.228 1.00 0.00 C ATOM 1609 C THR A 107 -13.546 -58.255 11.184 1.00 0.00 C ATOM 1610 O THR A 107 -13.659 -57.756 10.064 1.00 0.00 O ATOM 1611 CB THR A 107 -15.742 -59.139 11.998 1.00 0.00 C ATOM 1612 OG1 THR A 107 -17.028 -58.573 12.180 1.00 0.00 O ATOM 1613 CG2 THR A 107 -15.633 -60.334 12.921 1.00 0.00 C ATOM 0 H THR A 107 -16.243 -56.725 12.168 1.00 0.00 H new ATOM 0 HA THR A 107 -14.214 -58.234 13.216 1.00 0.00 H new ATOM 0 HB THR A 107 -15.600 -59.480 10.972 1.00 0.00 H new ATOM 0 HG1 THR A 107 -17.712 -59.258 12.027 1.00 0.00 H new ATOM 0 HG21 THR A 107 -16.437 -61.037 12.703 1.00 0.00 H new ATOM 0 HG22 THR A 107 -14.672 -60.825 12.769 1.00 0.00 H new ATOM 0 HG23 THR A 107 -15.712 -60.002 13.956 1.00 0.00 H new ATOM 1621 N PHE A 108 -12.479 -58.957 11.557 1.00 0.00 N ATOM 1622 CA PHE A 108 -11.360 -59.185 10.650 1.00 0.00 C ATOM 1623 C PHE A 108 -11.119 -60.680 10.452 1.00 0.00 C ATOM 1624 O PHE A 108 -11.641 -61.278 9.512 1.00 0.00 O ATOM 1625 CB PHE A 108 -10.080 -58.491 11.153 1.00 0.00 C ATOM 1626 CG PHE A 108 -9.989 -58.330 12.650 1.00 0.00 C ATOM 1627 CD1 PHE A 108 -10.943 -57.605 13.347 1.00 0.00 C ATOM 1628 CD2 PHE A 108 -8.940 -58.899 13.357 1.00 0.00 C ATOM 1629 CE1 PHE A 108 -10.855 -57.452 14.717 1.00 0.00 C ATOM 1630 CE2 PHE A 108 -8.847 -58.748 14.727 1.00 0.00 C ATOM 1631 CZ PHE A 108 -9.805 -58.025 15.409 1.00 0.00 C ATOM 0 H PHE A 108 -12.367 -59.377 12.480 1.00 0.00 H new ATOM 0 HA PHE A 108 -11.621 -58.747 9.686 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -9.217 -59.062 10.811 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -10.014 -57.506 10.692 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -11.766 -57.154 12.812 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -8.187 -59.467 12.830 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -11.606 -56.885 15.247 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.024 -59.196 15.265 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.734 -57.908 16.480 1.00 0.00 H new ATOM 1641 N LYS A 109 -10.334 -61.282 11.343 1.00 0.00 N ATOM 1642 CA LYS A 109 -10.033 -62.711 11.262 1.00 0.00 C ATOM 1643 C LYS A 109 -9.523 -63.094 9.874 1.00 0.00 C ATOM 1644 O LYS A 109 -10.300 -63.202 8.924 1.00 0.00 O ATOM 1645 CB LYS A 109 -11.275 -63.535 11.606 1.00 0.00 C ATOM 1646 CG LYS A 109 -11.966 -63.092 12.886 1.00 0.00 C ATOM 1647 CD LYS A 109 -13.463 -63.354 12.829 1.00 0.00 C ATOM 1648 CE LYS A 109 -13.804 -64.749 13.327 1.00 0.00 C ATOM 1649 NZ LYS A 109 -13.368 -64.958 14.735 1.00 0.00 N ATOM 0 H LYS A 109 -9.895 -60.803 12.129 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.246 -62.927 11.985 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -11.983 -63.471 10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -10.990 -64.583 11.701 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -11.535 -63.621 13.736 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -11.787 -62.029 13.048 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.986 -62.613 13.433 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.815 -63.236 11.804 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.880 -64.908 13.253 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.327 -65.490 12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.953 -65.698 15.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -12.370 -65.251 14.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.476 -64.071 15.267 1.00 0.00 H new ATOM 1663 N GLN A 110 -8.216 -63.305 9.764 1.00 0.00 N ATOM 1664 CA GLN A 110 -7.604 -63.680 8.493 1.00 0.00 C ATOM 1665 C GLN A 110 -7.758 -62.566 7.462 1.00 0.00 C ATOM 1666 O GLN A 110 -8.360 -61.529 7.736 1.00 0.00 O ATOM 1667 CB GLN A 110 -8.225 -64.974 7.963 1.00 0.00 C ATOM 1668 CG GLN A 110 -7.465 -66.226 8.371 1.00 0.00 C ATOM 1669 CD GLN A 110 -8.383 -67.348 8.818 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -9.598 -67.172 8.913 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -7.803 -68.510 9.096 1.00 0.00 N ATOM 0 H GLN A 110 -7.559 -63.223 10.540 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.540 -63.842 8.667 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.251 -65.049 8.323 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -8.272 -64.926 6.875 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -6.861 -66.569 7.531 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -6.777 -65.981 9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -6.792 -68.611 9.003 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -8.368 -69.302 9.402 1.00 0.00 H new ATOM 1680 N SER A 111 -7.202 -62.789 6.275 1.00 0.00 N ATOM 1681 CA SER A 111 -7.269 -61.806 5.197 1.00 0.00 C ATOM 1682 C SER A 111 -6.691 -60.464 5.642 1.00 0.00 C ATOM 1683 O SER A 111 -7.013 -59.420 5.078 1.00 0.00 O ATOM 1684 CB SER A 111 -8.715 -61.623 4.733 1.00 0.00 C ATOM 1685 OG SER A 111 -9.392 -62.866 4.668 1.00 0.00 O ATOM 0 H SER A 111 -6.699 -63.643 6.034 1.00 0.00 H new ATOM 0 HA SER A 111 -6.672 -62.179 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 111 -9.238 -60.956 5.418 1.00 0.00 H new ATOM 0 HB3 SER A 111 -8.728 -61.147 3.753 1.00 0.00 H new ATOM 0 HG SER A 111 -10.314 -62.721 4.371 1.00 0.00 H new ATOM 1691 N ALA A 112 -5.833 -60.507 6.658 1.00 0.00 N ATOM 1692 CA ALA A 112 -5.196 -59.309 7.196 1.00 0.00 C ATOM 1693 C ALA A 112 -4.510 -59.631 8.515 1.00 0.00 C ATOM 1694 O ALA A 112 -5.014 -59.301 9.588 1.00 0.00 O ATOM 1695 CB ALA A 112 -6.211 -58.190 7.387 1.00 0.00 C ATOM 0 H ALA A 112 -5.561 -61.370 7.130 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.448 -58.968 6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.710 -57.309 7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.665 -57.943 6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.985 -58.516 8.082 1.00 0.00 H new ATOM 1701 N THR A 113 -3.365 -60.297 8.427 1.00 0.00 N ATOM 1702 CA THR A 113 -2.618 -60.686 9.614 1.00 0.00 C ATOM 1703 C THR A 113 -1.965 -59.487 10.287 1.00 0.00 C ATOM 1704 O THR A 113 -2.493 -58.954 11.263 1.00 0.00 O ATOM 1705 CB THR A 113 -1.565 -61.731 9.256 1.00 0.00 C ATOM 1706 OG1 THR A 113 -1.158 -61.598 7.906 1.00 0.00 O ATOM 1707 CG2 THR A 113 -2.061 -63.145 9.452 1.00 0.00 C ATOM 0 H THR A 113 -2.935 -60.578 7.546 1.00 0.00 H new ATOM 0 HA THR A 113 -3.324 -61.118 10.323 1.00 0.00 H new ATOM 0 HB THR A 113 -0.728 -61.551 9.931 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.482 -62.277 7.700 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.273 -63.848 9.183 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.337 -63.292 10.496 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.931 -63.316 8.819 1.00 0.00 H new ATOM 1715 N LYS A 114 -0.812 -59.062 9.776 1.00 0.00 N ATOM 1716 CA LYS A 114 -0.113 -57.927 10.362 1.00 0.00 C ATOM 1717 C LYS A 114 0.319 -56.918 9.313 1.00 0.00 C ATOM 1718 O LYS A 114 -0.053 -55.751 9.388 1.00 0.00 O ATOM 1719 CB LYS A 114 1.099 -58.396 11.172 1.00 0.00 C ATOM 1720 CG LYS A 114 1.855 -59.556 10.538 1.00 0.00 C ATOM 1721 CD LYS A 114 3.318 -59.213 10.310 1.00 0.00 C ATOM 1722 CE LYS A 114 4.155 -60.464 10.101 1.00 0.00 C ATOM 1723 NZ LYS A 114 5.574 -60.138 9.788 1.00 0.00 N ATOM 0 H LYS A 114 -0.349 -59.481 8.969 1.00 0.00 H new ATOM 0 HA LYS A 114 -0.817 -57.429 11.029 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.783 -57.557 11.302 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.766 -58.693 12.167 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.782 -60.433 11.181 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.390 -59.818 9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 114 3.409 -58.563 9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.700 -58.656 11.166 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.114 -61.082 10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.730 -61.053 9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.111 -61.018 9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.616 -59.570 8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.988 -59.598 10.575 1.00 0.00 H new ATOM 1737 N ALA A 115 1.100 -57.361 8.340 1.00 0.00 N ATOM 1738 CA ALA A 115 1.568 -56.470 7.287 1.00 0.00 C ATOM 1739 C ALA A 115 0.396 -55.903 6.501 1.00 0.00 C ATOM 1740 O ALA A 115 0.432 -54.759 6.047 1.00 0.00 O ATOM 1741 CB ALA A 115 2.530 -57.200 6.362 1.00 0.00 C ATOM 0 H ALA A 115 1.422 -58.325 8.256 1.00 0.00 H new ATOM 0 HA ALA A 115 2.099 -55.639 7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 115 2.870 -56.520 5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 115 3.388 -57.553 6.934 1.00 0.00 H new ATOM 0 HB3 ALA A 115 2.022 -58.050 5.907 1.00 0.00 H new ATOM 1747 N GLU A 116 -0.649 -56.706 6.358 1.00 0.00 N ATOM 1748 CA GLU A 116 -1.846 -56.282 5.642 1.00 0.00 C ATOM 1749 C GLU A 116 -2.791 -55.544 6.580 1.00 0.00 C ATOM 1750 O GLU A 116 -3.501 -54.623 6.179 1.00 0.00 O ATOM 1751 CB GLU A 116 -2.555 -57.488 5.025 1.00 0.00 C ATOM 1752 CG GLU A 116 -1.743 -58.183 3.943 1.00 0.00 C ATOM 1753 CD GLU A 116 -2.553 -58.457 2.690 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -2.786 -57.507 1.914 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -2.953 -59.621 2.486 1.00 0.00 O ATOM 0 H GLU A 116 -0.693 -57.655 6.728 1.00 0.00 H new ATOM 0 HA GLU A 116 -1.546 -55.605 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -2.785 -58.206 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.506 -57.163 4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.882 -57.565 3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.355 -59.124 4.333 1.00 0.00 H new ATOM 1762 N LEU A 117 -2.790 -55.975 7.834 1.00 0.00 N ATOM 1763 CA LEU A 117 -3.638 -55.394 8.863 1.00 0.00 C ATOM 1764 C LEU A 117 -3.062 -54.076 9.365 1.00 0.00 C ATOM 1765 O LEU A 117 -3.793 -53.237 9.894 1.00 0.00 O ATOM 1766 CB LEU A 117 -3.795 -56.414 9.996 1.00 0.00 C ATOM 1767 CG LEU A 117 -4.227 -55.880 11.357 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -5.724 -55.616 11.389 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -3.840 -56.876 12.431 1.00 0.00 C ATOM 0 H LEU A 117 -2.200 -56.738 8.166 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.620 -55.165 8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.522 -57.162 9.680 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.843 -56.929 10.122 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.721 -54.933 11.542 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -6.006 -55.236 12.371 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -5.980 -54.879 10.628 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -6.261 -56.544 11.191 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.147 -56.498 13.406 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.334 -57.828 12.239 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.760 -57.020 12.422 1.00 0.00 H new ATOM 1781 N ILE A 118 -1.763 -53.875 9.173 1.00 0.00 N ATOM 1782 CA ILE A 118 -1.138 -52.631 9.589 1.00 0.00 C ATOM 1783 C ILE A 118 -1.354 -51.565 8.517 1.00 0.00 C ATOM 1784 O ILE A 118 -1.437 -50.374 8.815 1.00 0.00 O ATOM 1785 CB ILE A 118 0.383 -52.784 9.878 1.00 0.00 C ATOM 1786 CG1 ILE A 118 1.013 -51.431 10.235 1.00 0.00 C ATOM 1787 CG2 ILE A 118 1.132 -53.395 8.698 1.00 0.00 C ATOM 1788 CD1 ILE A 118 0.241 -50.637 11.265 1.00 0.00 C ATOM 0 H ILE A 118 -1.132 -54.548 8.738 1.00 0.00 H new ATOM 0 HA ILE A 118 -1.611 -52.332 10.524 1.00 0.00 H new ATOM 0 HB ILE A 118 0.472 -53.461 10.727 1.00 0.00 H new ATOM 0 HG12 ILE A 118 2.023 -51.601 10.607 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.104 -50.835 9.327 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.190 -53.483 8.945 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.726 -54.383 8.482 1.00 0.00 H new ATOM 0 HG23 ILE A 118 1.015 -52.756 7.823 1.00 0.00 H new ATOM 0 HD11 ILE A 118 0.755 -49.696 11.459 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.762 -50.432 10.890 1.00 0.00 H new ATOM 0 HD13 ILE A 118 0.172 -51.210 12.190 1.00 0.00 H new ATOM 1800 N ALA A 119 -1.460 -52.013 7.266 1.00 0.00 N ATOM 1801 CA ALA A 119 -1.688 -51.117 6.142 1.00 0.00 C ATOM 1802 C ALA A 119 -3.177 -50.862 5.950 1.00 0.00 C ATOM 1803 O ALA A 119 -3.584 -49.793 5.497 1.00 0.00 O ATOM 1804 CB ALA A 119 -1.078 -51.692 4.873 1.00 0.00 C ATOM 0 H ALA A 119 -1.391 -52.998 7.009 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.204 -50.165 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.257 -51.010 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -0.005 -51.821 5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.534 -52.658 4.655 1.00 0.00 H new ATOM 1810 N LEU A 120 -3.987 -51.862 6.296 1.00 0.00 N ATOM 1811 CA LEU A 120 -5.436 -51.762 6.160 1.00 0.00 C ATOM 1812 C LEU A 120 -5.955 -50.466 6.769 1.00 0.00 C ATOM 1813 O LEU A 120 -6.778 -49.777 6.168 1.00 0.00 O ATOM 1814 CB LEU A 120 -6.120 -52.958 6.827 1.00 0.00 C ATOM 1815 CG LEU A 120 -7.507 -53.299 6.278 1.00 0.00 C ATOM 1816 CD1 LEU A 120 -7.394 -54.248 5.096 1.00 0.00 C ATOM 1817 CD2 LEU A 120 -8.377 -53.906 7.369 1.00 0.00 C ATOM 0 H LEU A 120 -3.661 -52.752 6.673 1.00 0.00 H new ATOM 0 HA LEU A 120 -5.672 -51.763 5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -5.478 -53.832 6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -6.208 -52.758 7.895 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.978 -52.378 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -8.390 -54.479 4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.807 -53.778 4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -6.904 -55.168 5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.360 -54.142 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -7.910 -54.818 7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -8.485 -53.193 8.187 1.00 0.00 H new ATOM 1829 N PHE A 121 -5.469 -50.136 7.962 1.00 0.00 N ATOM 1830 CA PHE A 121 -5.897 -48.914 8.636 1.00 0.00 C ATOM 1831 C PHE A 121 -5.512 -47.680 7.825 1.00 0.00 C ATOM 1832 O PHE A 121 -4.496 -47.039 8.094 1.00 0.00 O ATOM 1833 CB PHE A 121 -5.285 -48.829 10.031 1.00 0.00 C ATOM 1834 CG PHE A 121 -5.993 -49.687 11.032 1.00 0.00 C ATOM 1835 CD1 PHE A 121 -7.111 -49.218 11.703 1.00 0.00 C ATOM 1836 CD2 PHE A 121 -5.542 -50.967 11.300 1.00 0.00 C ATOM 1837 CE1 PHE A 121 -7.762 -50.009 12.621 1.00 0.00 C ATOM 1838 CE2 PHE A 121 -6.190 -51.762 12.217 1.00 0.00 C ATOM 1839 CZ PHE A 121 -7.302 -51.281 12.878 1.00 0.00 C ATOM 0 H PHE A 121 -4.786 -50.691 8.478 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.983 -48.945 8.726 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.238 -49.127 9.981 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -5.306 -47.793 10.369 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.475 -48.221 11.503 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -4.672 -51.346 10.784 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.632 -49.633 13.139 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -5.829 -52.760 12.419 1.00 0.00 H new ATOM 0 HZ PHE A 121 -7.812 -51.903 13.598 1.00 0.00 H new