USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 550 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 35 CYS SG :(H bumps) USER MOD Single : A 33 THR OG1 : rot 23:sc= 0.855 USER MOD Single : A 34 HIS :FLIP no HE2:sc= 0.0837 F(o=-0.51,f=0.084) USER MOD Single : A 41 GLN : amide:sc= -0.064 X(o=-0.064,f=0) USER MOD Single : A 44 ASN : amide:sc= -4.98! C(o=-5!,f=-10!) USER MOD Single : A 45 THR OG1 : rot 142:sc= -1.29 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -1.28 F(o=-3.1!,f=-1.3) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 60 ASN :FLIP amide:sc=-0.00874 F(o=-1.4!,f=-0.0087) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0473 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0743 X(o=-0.074,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -151:sc= -0.194 (180deg=-0.939) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 59:sc= 0.09 USER MOD Single : A 201 HEC O2A : rot 180:sc= 0 USER MOD Single : A 201 HEC O2D : rot 141:sc= -0.0212 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -10.974 -7.274 -6.762 1.00 1.00 N ATOM 2 CA ALA A 25 -11.520 -8.406 -6.034 1.00 1.00 C ATOM 3 C ALA A 25 -10.373 -9.277 -5.518 1.00 1.00 C ATOM 4 O ALA A 25 -9.400 -9.515 -6.232 1.00 1.00 O ATOM 5 CB ALA A 25 -12.479 -9.182 -6.940 1.00 1.00 C ATOM 0 HA ALA A 25 -12.091 -8.066 -5.170 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -12.889 -10.031 -6.393 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -13.292 -8.527 -7.255 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -11.941 -9.541 -7.817 1.00 1.00 H new ATOM 11 N GLY A 26 -10.524 -9.728 -4.281 1.00 1.00 N ATOM 12 CA GLY A 26 -9.513 -10.567 -3.661 1.00 1.00 C ATOM 13 C GLY A 26 -8.486 -9.720 -2.906 1.00 1.00 C ATOM 14 O GLY A 26 -8.557 -9.594 -1.685 1.00 1.00 O ATOM 0 H GLY A 26 -11.332 -9.528 -3.691 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -9.988 -11.267 -2.974 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.010 -11.161 -4.424 1.00 1.00 H new ATOM 18 N GLY A 27 -7.554 -9.162 -3.665 1.00 1.00 N ATOM 19 CA GLY A 27 -6.514 -8.331 -3.083 1.00 1.00 C ATOM 20 C GLY A 27 -7.115 -7.252 -2.180 1.00 1.00 C ATOM 21 O GLY A 27 -6.464 -6.787 -1.245 1.00 1.00 O ATOM 0 H GLY A 27 -7.498 -9.269 -4.678 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -5.828 -8.952 -2.507 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -5.931 -7.863 -3.876 1.00 1.00 H new ATOM 25 N GLY A 28 -8.350 -6.886 -2.490 1.00 1.00 N ATOM 26 CA GLY A 28 -9.046 -5.871 -1.718 1.00 1.00 C ATOM 27 C GLY A 28 -9.406 -6.392 -0.325 1.00 1.00 C ATOM 28 O GLY A 28 -9.204 -5.701 0.672 1.00 1.00 O ATOM 0 H GLY A 28 -8.887 -7.274 -3.266 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.419 -4.984 -1.628 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -9.952 -5.568 -2.242 1.00 1.00 H new ATOM 32 N GLU A 29 -9.932 -7.608 -0.301 1.00 1.00 N ATOM 33 CA GLU A 29 -10.322 -8.230 0.953 1.00 1.00 C ATOM 34 C GLU A 29 -9.149 -8.223 1.936 1.00 1.00 C ATOM 35 O GLU A 29 -9.348 -8.320 3.146 1.00 1.00 O ATOM 36 CB GLU A 29 -10.836 -9.652 0.723 1.00 1.00 C ATOM 37 CG GLU A 29 -11.326 -10.276 2.031 1.00 1.00 C ATOM 38 CD GLU A 29 -12.660 -9.666 2.464 1.00 1.00 C ATOM 39 OE1 GLU A 29 -13.725 -10.127 2.026 1.00 1.00 O ATOM 40 OE2 GLU A 29 -12.566 -8.677 3.287 1.00 1.00 O ATOM 0 H GLU A 29 -10.097 -8.179 -1.130 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.137 -7.650 1.386 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.649 -9.636 -0.003 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.041 -10.266 0.298 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -11.439 -11.353 1.904 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -10.582 -10.123 2.812 1.00 1.00 H new ATOM 48 N LEU A 30 -7.952 -8.107 1.379 1.00 1.00 N ATOM 49 CA LEU A 30 -6.748 -8.087 2.191 1.00 1.00 C ATOM 50 C LEU A 30 -6.431 -6.644 2.589 1.00 1.00 C ATOM 51 O LEU A 30 -6.085 -6.375 3.738 1.00 1.00 O ATOM 52 CB LEU A 30 -5.600 -8.790 1.465 1.00 1.00 C ATOM 53 CG LEU A 30 -5.882 -10.216 0.987 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.602 -10.892 0.493 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.578 -11.033 2.078 1.00 1.00 C ATOM 0 H LEU A 30 -7.791 -8.026 0.375 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.902 -8.647 3.113 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.319 -8.187 0.601 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.737 -8.815 2.130 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.565 -10.163 0.140 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.831 -11.904 0.159 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.186 -10.321 -0.337 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.876 -10.933 1.305 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.767 -12.042 1.712 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.940 -11.080 2.960 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.524 -10.559 2.340 1.00 1.00 H new ATOM 67 N PHE A 31 -6.560 -5.753 1.616 1.00 1.00 N ATOM 68 CA PHE A 31 -6.292 -4.345 1.851 1.00 1.00 C ATOM 69 C PHE A 31 -7.379 -3.718 2.727 1.00 1.00 C ATOM 70 O PHE A 31 -7.161 -2.675 3.341 1.00 1.00 O ATOM 71 CB PHE A 31 -6.294 -3.655 0.485 1.00 1.00 C ATOM 72 CG PHE A 31 -6.319 -2.128 0.558 1.00 1.00 C ATOM 73 CD1 PHE A 31 -5.222 -1.411 0.194 1.00 1.00 C ATOM 74 CD2 PHE A 31 -7.438 -1.485 0.989 1.00 1.00 C ATOM 75 CE1 PHE A 31 -5.245 0.007 0.263 1.00 1.00 C ATOM 76 CE2 PHE A 31 -7.461 -0.067 1.058 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.364 0.649 0.693 1.00 1.00 C ATOM 0 H PHE A 31 -6.847 -5.980 0.664 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.337 -4.229 2.364 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.409 -3.967 -0.069 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.161 -3.995 -0.081 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -4.333 -1.920 -0.148 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -8.309 -2.054 1.279 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -4.374 0.576 -0.026 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -8.349 0.443 1.400 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.381 1.728 0.745 1.00 1.00 H new ATOM 87 N ALA A 32 -8.526 -4.381 2.756 1.00 1.00 N ATOM 88 CA ALA A 32 -9.647 -3.902 3.547 1.00 1.00 C ATOM 89 C ALA A 32 -9.631 -4.588 4.914 1.00 1.00 C ATOM 90 O ALA A 32 -10.670 -5.031 5.402 1.00 1.00 O ATOM 91 CB ALA A 32 -10.951 -4.149 2.785 1.00 1.00 C ATOM 0 H ALA A 32 -8.703 -5.246 2.245 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.567 -2.828 3.717 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.792 -3.790 3.378 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -10.923 -3.616 1.834 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.067 -5.217 2.599 1.00 1.00 H new ATOM 97 N THR A 33 -8.441 -4.655 5.493 1.00 1.00 N ATOM 98 CA THR A 33 -8.277 -5.280 6.795 1.00 1.00 C ATOM 99 C THR A 33 -6.867 -5.026 7.334 1.00 1.00 C ATOM 100 O THR A 33 -6.689 -4.788 8.527 1.00 1.00 O ATOM 101 CB THR A 33 -8.615 -6.765 6.653 1.00 1.00 C ATOM 102 OG1 THR A 33 -10.026 -6.820 6.847 1.00 1.00 O ATOM 103 CG2 THR A 33 -8.048 -7.607 7.797 1.00 1.00 C ATOM 0 H THR A 33 -7.582 -4.287 5.085 1.00 1.00 H new ATOM 0 HA THR A 33 -8.955 -4.847 7.530 1.00 1.00 H new ATOM 0 HB THR A 33 -8.228 -7.136 5.704 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.418 -5.945 6.644 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.317 -8.653 7.647 1.00 1.00 H new ATOM 0 HG22 THR A 33 -6.962 -7.511 7.816 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.460 -7.259 8.744 1.00 1.00 H new ATOM 111 N HIS A 34 -5.903 -5.086 6.428 1.00 1.00 N ATOM 112 CA HIS A 34 -4.515 -4.866 6.797 1.00 1.00 C ATOM 113 C HIS A 34 -4.091 -3.455 6.384 1.00 1.00 C ATOM 114 O HIS A 34 -2.981 -3.022 6.690 1.00 1.00 O ATOM 115 CB HIS A 34 -3.616 -5.953 6.203 1.00 1.00 C ATOM 116 CG HIS A 34 -4.070 -7.360 6.509 1.00 1.00 C ATOM 117 ND1 HIS A 34 -4.769 -8.255 5.753 1.00 1.00 N flip ATOM 118 CD2 HIS A 34 -3.811 -7.986 7.715 1.00 1.00 C flip ATOM 119 CE1 HIS A 34 -4.927 -9.368 6.459 1.00 1.00 C flip ATOM 120 NE2 HIS A 34 -4.334 -9.203 7.676 1.00 1.00 N flip ATOM 0 H HIS A 34 -6.055 -5.284 5.439 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.407 -4.938 7.879 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.572 -5.823 5.122 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.603 -5.819 6.581 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -5.112 -8.096 4.806 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -3.274 -7.556 8.547 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -5.440 -10.257 6.125 1.00 1.00 H new ATOM 128 N CYS A 35 -4.997 -2.778 5.694 1.00 1.00 N ATOM 129 CA CYS A 35 -4.732 -1.425 5.236 1.00 1.00 C ATOM 130 C CYS A 35 -5.934 -0.551 5.596 1.00 1.00 C ATOM 131 O CYS A 35 -5.772 0.546 6.129 1.00 1.00 O ATOM 132 CB CYS A 35 -4.426 -1.385 3.737 1.00 1.00 C ATOM 133 SG CYS A 35 -3.422 -2.786 3.122 1.00 1.00 S ATOM 0 H CYS A 35 -5.916 -3.142 5.441 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.842 -1.039 5.733 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.368 -1.363 3.189 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.904 -0.455 3.512 1.00 1.00 H new ATOM 138 N ALA A 36 -7.115 -1.069 5.291 1.00 1.00 N ATOM 139 CA ALA A 36 -8.344 -0.349 5.576 1.00 1.00 C ATOM 140 C ALA A 36 -8.209 0.371 6.919 1.00 1.00 C ATOM 141 O ALA A 36 -8.724 1.475 7.090 1.00 1.00 O ATOM 142 CB ALA A 36 -9.524 -1.324 5.553 1.00 1.00 C ATOM 0 H ALA A 36 -7.246 -1.979 4.849 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.531 0.408 4.814 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.446 -0.784 5.767 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.594 -1.787 4.569 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.373 -2.096 6.307 1.00 1.00 H new ATOM 148 N GLY A 37 -7.515 -0.284 7.838 1.00 1.00 N ATOM 149 CA GLY A 37 -7.306 0.280 9.160 1.00 1.00 C ATOM 150 C GLY A 37 -6.153 1.286 9.151 1.00 1.00 C ATOM 151 O GLY A 37 -5.272 1.234 10.009 1.00 1.00 O ATOM 0 H GLY A 37 -7.090 -1.200 7.693 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.219 0.771 9.498 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -7.091 -0.519 9.870 1.00 1.00 H new ATOM 155 N CYS A 38 -6.196 2.178 8.173 1.00 1.00 N ATOM 156 CA CYS A 38 -5.166 3.195 8.041 1.00 1.00 C ATOM 157 C CYS A 38 -5.330 3.871 6.678 1.00 1.00 C ATOM 158 O CYS A 38 -5.038 5.056 6.530 1.00 1.00 O ATOM 159 CB CYS A 38 -3.765 2.607 8.222 1.00 1.00 C ATOM 160 SG CYS A 38 -3.073 3.124 9.835 1.00 1.00 S ATOM 0 H CYS A 38 -6.928 2.218 7.464 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.281 3.938 8.830 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.808 1.519 8.167 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -3.114 2.941 7.414 1.00 1.00 H new ATOM 165 N HIS A 39 -5.798 3.088 5.717 1.00 1.00 N ATOM 166 CA HIS A 39 -6.004 3.596 4.372 1.00 1.00 C ATOM 167 C HIS A 39 -7.491 3.523 4.018 1.00 1.00 C ATOM 168 O HIS A 39 -7.906 2.843 3.082 1.00 1.00 O ATOM 169 CB HIS A 39 -5.118 2.854 3.369 1.00 1.00 C ATOM 170 CG HIS A 39 -3.659 3.233 3.440 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.196 4.497 3.119 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.564 2.503 3.800 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.881 4.515 3.281 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.492 3.278 3.702 1.00 1.00 N ATOM 0 H HIS A 39 -6.040 2.105 5.844 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.706 4.643 4.325 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.213 1.782 3.540 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.485 3.050 2.361 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.770 5.282 2.810 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.569 1.469 4.112 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.232 5.361 3.110 1.00 1.00 H new ATOM 182 N PRO A 40 -8.293 4.248 4.800 1.00 1.00 N ATOM 183 CA PRO A 40 -9.730 4.327 4.645 1.00 1.00 C ATOM 184 C PRO A 40 -10.066 5.165 3.420 1.00 1.00 C ATOM 185 O PRO A 40 -9.611 6.305 3.337 1.00 1.00 O ATOM 186 CB PRO A 40 -10.225 5.001 5.923 1.00 1.00 C ATOM 187 CG PRO A 40 -9.008 5.988 6.223 1.00 1.00 C ATOM 188 CD PRO A 40 -7.839 5.058 5.909 1.00 1.00 C ATOM 0 HA PRO A 40 -10.196 3.352 4.501 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -11.164 5.534 5.773 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.389 4.288 6.731 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -9.021 6.873 5.587 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -8.998 6.338 7.255 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.945 5.623 5.645 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.583 4.441 6.770 1.00 1.00 H new ATOM 196 N GLN A 41 -10.841 4.598 2.507 1.00 1.00 N ATOM 197 CA GLN A 41 -11.220 5.312 1.300 1.00 1.00 C ATOM 198 C GLN A 41 -9.998 5.990 0.678 1.00 1.00 C ATOM 199 O GLN A 41 -10.048 7.168 0.328 1.00 1.00 O ATOM 200 CB GLN A 41 -12.325 6.331 1.589 1.00 1.00 C ATOM 201 CG GLN A 41 -11.845 7.391 2.582 1.00 1.00 C ATOM 202 CD GLN A 41 -12.837 8.554 2.664 1.00 1.00 C ATOM 203 OE1 GLN A 41 -13.439 8.819 3.691 1.00 1.00 O ATOM 204 NE2 GLN A 41 -12.973 9.229 1.526 1.00 1.00 N ATOM 0 H GLN A 41 -11.217 3.652 2.579 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.615 4.591 0.584 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.635 6.811 0.660 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -13.200 5.820 1.991 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -11.723 6.942 3.568 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -10.867 7.763 2.278 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -12.438 8.953 0.703 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -13.612 10.022 1.477 1.00 1.00 H new ATOM 213 N GLY A 42 -8.929 5.216 0.559 1.00 1.00 N ATOM 214 CA GLY A 42 -7.695 5.727 -0.015 1.00 1.00 C ATOM 215 C GLY A 42 -7.210 6.965 0.742 1.00 1.00 C ATOM 216 O GLY A 42 -6.514 7.808 0.179 1.00 1.00 O ATOM 0 H GLY A 42 -8.892 4.239 0.850 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.928 4.954 0.016 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.854 5.977 -1.064 1.00 1.00 H new ATOM 220 N GLY A 43 -7.598 7.035 2.007 1.00 1.00 N ATOM 221 CA GLY A 43 -7.211 8.156 2.848 1.00 1.00 C ATOM 222 C GLY A 43 -6.062 7.769 3.781 1.00 1.00 C ATOM 223 O GLY A 43 -5.327 6.822 3.509 1.00 1.00 O ATOM 0 H GLY A 43 -8.176 6.334 2.470 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.910 8.997 2.223 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -8.067 8.486 3.437 1.00 1.00 H new ATOM 227 N ASN A 44 -5.943 8.524 4.864 1.00 1.00 N ATOM 228 CA ASN A 44 -4.896 8.273 5.840 1.00 1.00 C ATOM 229 C ASN A 44 -5.381 8.707 7.225 1.00 1.00 C ATOM 230 O ASN A 44 -6.091 9.703 7.354 1.00 1.00 O ATOM 231 CB ASN A 44 -3.633 9.069 5.510 1.00 1.00 C ATOM 232 CG ASN A 44 -3.036 8.623 4.174 1.00 1.00 C ATOM 233 OD1 ASN A 44 -3.646 8.734 3.124 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.812 8.111 4.272 1.00 1.00 N ATOM 0 H ASN A 44 -6.554 9.309 5.087 1.00 1.00 H new ATOM 0 HA ASN A 44 -4.666 7.208 5.821 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.869 10.132 5.470 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -2.898 8.936 6.303 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -1.328 7.783 3.436 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.357 8.047 5.183 1.00 1.00 H new ATOM 241 N THR A 45 -4.978 7.938 8.226 1.00 1.00 N ATOM 242 CA THR A 45 -5.363 8.231 9.596 1.00 1.00 C ATOM 243 C THR A 45 -4.159 8.743 10.390 1.00 1.00 C ATOM 244 O THR A 45 -4.297 9.144 11.544 1.00 1.00 O ATOM 245 CB THR A 45 -5.990 6.969 10.191 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.154 5.913 9.726 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.360 6.655 9.585 1.00 1.00 C ATOM 0 H THR A 45 -4.389 7.113 8.116 1.00 1.00 H new ATOM 0 HA THR A 45 -6.104 9.030 9.637 1.00 1.00 H new ATOM 0 HB THR A 45 -6.089 7.087 11.270 1.00 1.00 H new ATOM 0 HG1 THR A 45 -5.049 5.243 10.434 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.761 5.750 10.042 1.00 1.00 H new ATOM 0 HG22 THR A 45 -8.039 7.487 9.771 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.257 6.504 8.510 1.00 1.00 H new ATOM 255 N VAL A 46 -3.005 8.713 9.739 1.00 1.00 N ATOM 256 CA VAL A 46 -1.778 9.169 10.369 1.00 1.00 C ATOM 257 C VAL A 46 -1.303 10.451 9.682 1.00 1.00 C ATOM 258 O VAL A 46 -1.130 11.480 10.333 1.00 1.00 O ATOM 259 CB VAL A 46 -0.731 8.054 10.344 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.601 8.539 10.921 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.232 6.814 11.088 1.00 1.00 C ATOM 0 H VAL A 46 -2.894 8.380 8.781 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.953 9.408 11.418 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.564 7.775 9.304 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.328 7.727 10.891 1.00 1.00 H new ATOM 0 HG12 VAL A 46 0.970 9.377 10.330 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.456 8.858 11.953 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.469 6.037 11.055 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.442 7.073 12.126 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.143 6.448 10.614 1.00 1.00 H new ATOM 271 N HIS A 47 -1.105 10.346 8.377 1.00 1.00 N ATOM 272 CA HIS A 47 -0.653 11.484 7.595 1.00 1.00 C ATOM 273 C HIS A 47 -1.733 11.872 6.582 1.00 1.00 C ATOM 274 O HIS A 47 -1.983 11.180 5.597 1.00 1.00 O ATOM 275 CB HIS A 47 0.697 11.191 6.938 1.00 1.00 C ATOM 276 CG HIS A 47 1.853 11.137 7.909 1.00 1.00 C ATOM 277 ND1 HIS A 47 1.882 11.251 9.268 1.00 1.00 N flip ATOM 278 CD2 HIS A 47 3.163 10.949 7.505 1.00 1.00 C flip ATOM 279 CE1 HIS A 47 3.141 11.136 9.672 1.00 1.00 C flip ATOM 280 NE2 HIS A 47 3.937 10.950 8.580 1.00 1.00 N flip ATOM 0 H HIS A 47 -1.249 9.490 7.841 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.494 12.340 8.251 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.634 10.239 6.410 1.00 1.00 H new ATOM 0 HB3 HIS A 47 0.900 11.957 6.190 1.00 1.00 H new ATOM 0 HD2 HIS A 47 3.498 10.823 6.486 1.00 1.00 H new ATOM 0 HE1 HIS A 47 3.479 11.182 10.697 1.00 1.00 H new ATOM 0 HE2 HIS A 47 4.950 10.832 8.590 1.00 1.00 H new ATOM 288 N PRO A 48 -2.375 13.011 6.851 1.00 1.00 N ATOM 289 CA PRO A 48 -3.428 13.567 6.029 1.00 1.00 C ATOM 290 C PRO A 48 -2.817 14.329 4.861 1.00 1.00 C ATOM 291 O PRO A 48 -3.522 15.117 4.233 1.00 1.00 O ATOM 292 CB PRO A 48 -4.193 14.509 6.957 1.00 1.00 C ATOM 293 CG PRO A 48 -3.080 15.018 7.871 1.00 1.00 C ATOM 294 CD PRO A 48 -2.106 13.849 7.999 1.00 1.00 C ATOM 0 HA PRO A 48 -4.081 12.805 5.604 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.676 15.319 6.410 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.974 13.990 7.513 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -2.591 15.894 7.446 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -3.473 15.313 8.844 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -1.072 14.195 8.002 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -2.263 13.305 8.930 1.00 1.00 H new ATOM 302 N GLU A 49 -1.542 14.087 4.597 1.00 1.00 N ATOM 303 CA GLU A 49 -0.863 14.762 3.505 1.00 1.00 C ATOM 304 C GLU A 49 -0.154 13.744 2.610 1.00 1.00 C ATOM 305 O GLU A 49 0.528 14.119 1.657 1.00 1.00 O ATOM 306 CB GLU A 49 0.122 15.807 4.034 1.00 1.00 C ATOM 307 CG GLU A 49 1.202 15.154 4.898 1.00 1.00 C ATOM 308 CD GLU A 49 2.493 15.975 4.875 1.00 1.00 C ATOM 309 OE1 GLU A 49 2.443 17.205 4.729 1.00 1.00 O ATOM 310 OE2 GLU A 49 3.577 15.290 5.018 1.00 1.00 O ATOM 0 H GLU A 49 -0.961 13.432 5.121 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.610 15.284 2.907 1.00 1.00 H new ATOM 0 HB2 GLU A 49 0.587 16.330 3.198 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -0.414 16.554 4.619 1.00 1.00 H new ATOM 0 HG2 GLU A 49 0.845 15.060 5.924 1.00 1.00 H new ATOM 0 HG3 GLU A 49 1.402 14.145 4.536 1.00 1.00 H new ATOM 318 N LYS A 50 -0.338 12.477 2.948 1.00 1.00 N ATOM 319 CA LYS A 50 0.275 11.402 2.187 1.00 1.00 C ATOM 320 C LYS A 50 -0.803 10.401 1.766 1.00 1.00 C ATOM 321 O LYS A 50 -0.890 9.307 2.323 1.00 1.00 O ATOM 322 CB LYS A 50 1.424 10.773 2.978 1.00 1.00 C ATOM 323 CG LYS A 50 2.345 11.849 3.556 1.00 1.00 C ATOM 324 CD LYS A 50 3.801 11.593 3.164 1.00 1.00 C ATOM 325 CE LYS A 50 4.431 12.844 2.548 1.00 1.00 C ATOM 326 NZ LYS A 50 5.601 12.480 1.717 1.00 1.00 N ATOM 0 H LYS A 50 -0.903 12.170 3.740 1.00 1.00 H new ATOM 0 HA LYS A 50 0.724 11.790 1.273 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.022 10.161 3.786 1.00 1.00 H new ATOM 0 HB3 LYS A 50 1.996 10.109 2.330 1.00 1.00 H new ATOM 0 HG2 LYS A 50 2.035 12.830 3.196 1.00 1.00 H new ATOM 0 HG3 LYS A 50 2.255 11.865 4.642 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.370 11.290 4.043 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.850 10.769 2.453 1.00 1.00 H new ATOM 0 HE2 LYS A 50 3.694 13.367 1.939 1.00 1.00 H new ATOM 0 HE3 LYS A 50 4.738 13.530 3.337 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 6.017 13.341 1.307 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.310 12.001 2.307 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 5.299 11.843 0.952 1.00 1.00 H new ATOM 339 N THR A 51 -1.596 10.810 0.787 1.00 1.00 N ATOM 340 CA THR A 51 -2.664 9.962 0.286 1.00 1.00 C ATOM 341 C THR A 51 -2.129 9.003 -0.779 1.00 1.00 C ATOM 342 O THR A 51 -0.934 8.996 -1.068 1.00 1.00 O ATOM 343 CB THR A 51 -3.788 10.868 -0.222 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.310 11.343 -1.478 1.00 1.00 O ATOM 345 CG2 THR A 51 -3.944 12.136 0.620 1.00 1.00 C ATOM 0 H THR A 51 -1.520 11.717 0.327 1.00 1.00 H new ATOM 0 HA THR A 51 -3.069 9.328 1.075 1.00 1.00 H new ATOM 0 HB THR A 51 -4.727 10.315 -0.223 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.978 11.937 -1.879 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.754 12.743 0.217 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.173 11.863 1.650 1.00 1.00 H new ATOM 0 HG23 THR A 51 -3.016 12.707 0.594 1.00 1.00 H new ATOM 353 N LEU A 52 -3.040 8.217 -1.333 1.00 1.00 N ATOM 354 CA LEU A 52 -2.675 7.256 -2.360 1.00 1.00 C ATOM 355 C LEU A 52 -2.816 7.908 -3.737 1.00 1.00 C ATOM 356 O LEU A 52 -2.874 7.217 -4.752 1.00 1.00 O ATOM 357 CB LEU A 52 -3.487 5.969 -2.203 1.00 1.00 C ATOM 358 CG LEU A 52 -3.245 5.176 -0.917 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.150 3.944 -0.854 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.767 4.809 -0.769 1.00 1.00 C ATOM 0 H LEU A 52 -4.031 8.226 -1.090 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.631 6.962 -2.252 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.546 6.222 -2.256 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.271 5.321 -3.052 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.506 5.811 -0.070 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -3.958 3.398 0.070 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.194 4.257 -0.880 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -3.944 3.297 -1.707 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.622 4.246 0.153 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.456 4.200 -1.618 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.168 5.719 -0.736 1.00 1.00 H new ATOM 372 N ALA A 53 -2.868 9.232 -3.726 1.00 1.00 N ATOM 373 CA ALA A 53 -3.002 9.986 -4.962 1.00 1.00 C ATOM 374 C ALA A 53 -1.715 9.849 -5.778 1.00 1.00 C ATOM 375 O ALA A 53 -0.620 10.056 -5.258 1.00 1.00 O ATOM 376 CB ALA A 53 -3.335 11.443 -4.637 1.00 1.00 C ATOM 0 H ALA A 53 -2.820 9.802 -2.882 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.819 9.593 -5.566 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.436 12.009 -5.563 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.272 11.487 -4.082 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.535 11.873 -4.034 1.00 1.00 H new ATOM 382 N ARG A 54 -1.890 9.503 -7.045 1.00 1.00 N ATOM 383 CA ARG A 54 -0.757 9.337 -7.939 1.00 1.00 C ATOM 384 C ARG A 54 0.176 10.546 -7.843 1.00 1.00 C ATOM 385 O ARG A 54 1.376 10.392 -7.620 1.00 1.00 O ATOM 386 CB ARG A 54 -1.218 9.170 -9.388 1.00 1.00 C ATOM 387 CG ARG A 54 -0.023 8.997 -10.328 1.00 1.00 C ATOM 388 CD ARG A 54 -0.390 9.389 -11.760 1.00 1.00 C ATOM 389 NE ARG A 54 0.559 10.406 -12.266 1.00 1.00 N ATOM 390 CZ ARG A 54 0.494 11.720 -11.960 1.00 1.00 C ATOM 391 NH1 ARG A 54 1.395 12.540 -12.469 1.00 1.00 N ATOM 392 NH2 ARG A 54 -0.477 12.187 -11.147 1.00 1.00 N ATOM 0 H ARG A 54 -2.800 9.333 -7.474 1.00 1.00 H new ATOM 0 HA ARG A 54 -0.223 8.437 -7.634 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.875 8.304 -9.467 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.800 10.040 -9.691 1.00 1.00 H new ATOM 0 HG2 ARG A 54 0.809 9.610 -9.981 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.314 7.961 -10.306 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -0.370 8.509 -12.403 1.00 1.00 H new ATOM 0 HD3 ARG A 54 -1.406 9.782 -11.789 1.00 1.00 H new ATOM 0 HE ARG A 54 1.309 10.095 -12.884 1.00 1.00 H new ATOM 0 HH11 ARG A 54 2.125 12.178 -13.083 1.00 1.00 H new ATOM 0 HH12 ARG A 54 1.361 13.535 -12.249 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -1.169 11.546 -10.759 1.00 1.00 H new ATOM 0 HH22 ARG A 54 -0.519 13.181 -10.921 1.00 1.00 H new ATOM 402 N ALA A 55 -0.410 11.721 -8.017 1.00 1.00 N ATOM 403 CA ALA A 55 0.353 12.955 -7.954 1.00 1.00 C ATOM 404 C ALA A 55 1.350 12.874 -6.796 1.00 1.00 C ATOM 405 O ALA A 55 2.432 13.455 -6.862 1.00 1.00 O ATOM 406 CB ALA A 55 -0.604 14.141 -7.817 1.00 1.00 C ATOM 0 H ALA A 55 -1.406 11.844 -8.202 1.00 1.00 H new ATOM 0 HA ALA A 55 0.923 13.101 -8.871 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.031 15.067 -7.770 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.272 14.171 -8.678 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.192 14.031 -6.906 1.00 1.00 H new ATOM 412 N ARG A 56 0.950 12.148 -5.762 1.00 1.00 N ATOM 413 CA ARG A 56 1.794 11.984 -4.591 1.00 1.00 C ATOM 414 C ARG A 56 2.631 10.709 -4.716 1.00 1.00 C ATOM 415 O ARG A 56 3.851 10.745 -4.562 1.00 1.00 O ATOM 416 CB ARG A 56 0.956 11.913 -3.313 1.00 1.00 C ATOM 417 CG ARG A 56 0.887 13.278 -2.627 1.00 1.00 C ATOM 418 CD ARG A 56 0.086 14.274 -3.468 1.00 1.00 C ATOM 419 NE ARG A 56 -0.191 15.495 -2.679 1.00 1.00 N ATOM 420 CZ ARG A 56 -1.030 15.540 -1.622 1.00 1.00 C ATOM 421 NH1 ARG A 56 -1.203 16.686 -0.990 1.00 1.00 N ATOM 422 NH2 ARG A 56 -1.683 14.429 -1.218 1.00 1.00 N ATOM 0 H ARG A 56 0.052 11.667 -5.711 1.00 1.00 H new ATOM 0 HA ARG A 56 2.452 12.851 -4.532 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -0.051 11.571 -3.553 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.388 11.181 -2.631 1.00 1.00 H new ATOM 0 HG2 ARG A 56 0.426 13.173 -1.645 1.00 1.00 H new ATOM 0 HG3 ARG A 56 1.895 13.660 -2.467 1.00 1.00 H new ATOM 0 HD2 ARG A 56 0.642 14.532 -4.369 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -0.851 13.819 -3.791 1.00 1.00 H new ATOM 0 HE ARG A 56 0.282 16.357 -2.951 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -0.706 17.521 -1.302 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -1.833 16.737 -0.190 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -1.544 13.548 -1.712 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -2.315 14.471 -0.419 1.00 1.00 H new ATOM 432 N ARG A 57 1.942 9.611 -4.993 1.00 1.00 N ATOM 433 CA ARG A 57 2.606 8.328 -5.140 1.00 1.00 C ATOM 434 C ARG A 57 3.676 8.405 -6.231 1.00 1.00 C ATOM 435 O ARG A 57 4.542 7.536 -6.319 1.00 1.00 O ATOM 436 CB ARG A 57 1.605 7.227 -5.495 1.00 1.00 C ATOM 437 CG ARG A 57 1.191 6.440 -4.249 1.00 1.00 C ATOM 438 CD ARG A 57 0.869 4.986 -4.602 1.00 1.00 C ATOM 439 NE ARG A 57 -0.591 4.818 -4.773 1.00 1.00 N ATOM 440 CZ ARG A 57 -1.261 5.131 -5.903 1.00 1.00 C ATOM 441 NH1 ARG A 57 -2.566 4.940 -5.946 1.00 1.00 N ATOM 442 NH2 ARG A 57 -0.606 5.632 -6.971 1.00 1.00 N ATOM 0 H ARG A 57 0.930 9.584 -5.119 1.00 1.00 H new ATOM 0 HA ARG A 57 3.073 8.086 -4.185 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.724 7.668 -5.960 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.047 6.551 -6.227 1.00 1.00 H new ATOM 0 HG2 ARG A 57 1.993 6.470 -3.512 1.00 1.00 H new ATOM 0 HG3 ARG A 57 0.320 6.909 -3.791 1.00 1.00 H new ATOM 0 HD2 ARG A 57 1.386 4.703 -5.519 1.00 1.00 H new ATOM 0 HD3 ARG A 57 1.230 4.324 -3.815 1.00 1.00 H new ATOM 0 HE ARG A 57 -1.124 4.443 -3.989 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -3.053 4.561 -5.134 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -3.088 5.171 -6.792 1.00 1.00 H new ATOM 0 HH21 ARG A 57 0.403 5.777 -6.929 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -1.120 5.866 -7.821 1.00 1.00 H new ATOM 452 N GLU A 58 3.582 9.455 -7.034 1.00 1.00 N ATOM 453 CA GLU A 58 4.531 9.657 -8.115 1.00 1.00 C ATOM 454 C GLU A 58 5.796 10.339 -7.591 1.00 1.00 C ATOM 455 O GLU A 58 6.907 9.888 -7.864 1.00 1.00 O ATOM 456 CB GLU A 58 3.903 10.467 -9.252 1.00 1.00 C ATOM 457 CG GLU A 58 4.217 11.957 -9.102 1.00 1.00 C ATOM 458 CD GLU A 58 3.683 12.752 -10.295 1.00 1.00 C ATOM 459 OE1 GLU A 58 3.636 12.229 -11.418 1.00 1.00 O ATOM 460 OE2 GLU A 58 3.309 13.957 -10.024 1.00 1.00 O ATOM 0 H GLU A 58 2.863 10.175 -6.957 1.00 1.00 H new ATOM 0 HA GLU A 58 4.807 8.682 -8.516 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.278 10.107 -10.210 1.00 1.00 H new ATOM 0 HB3 GLU A 58 2.823 10.318 -9.256 1.00 1.00 H new ATOM 0 HG2 GLU A 58 3.774 12.335 -8.181 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.295 12.099 -9.019 1.00 1.00 H new ATOM 468 N ALA A 59 5.585 11.414 -6.846 1.00 1.00 N ATOM 469 CA ALA A 59 6.695 12.163 -6.281 1.00 1.00 C ATOM 470 C ALA A 59 7.678 11.191 -5.625 1.00 1.00 C ATOM 471 O ALA A 59 8.891 11.344 -5.760 1.00 1.00 O ATOM 472 CB ALA A 59 6.159 13.204 -5.295 1.00 1.00 C ATOM 0 H ALA A 59 4.662 11.784 -6.620 1.00 1.00 H new ATOM 0 HA ALA A 59 7.233 12.700 -7.062 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.991 13.766 -4.871 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.488 13.887 -5.816 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.616 12.701 -4.495 1.00 1.00 H new ATOM 478 N ASN A 60 7.118 10.213 -4.928 1.00 1.00 N ATOM 479 CA ASN A 60 7.930 9.217 -4.251 1.00 1.00 C ATOM 480 C ASN A 60 8.423 8.188 -5.271 1.00 1.00 C ATOM 481 O ASN A 60 9.471 7.574 -5.081 1.00 1.00 O ATOM 482 CB ASN A 60 7.119 8.476 -3.186 1.00 1.00 C ATOM 483 CG ASN A 60 7.050 9.283 -1.888 1.00 1.00 C ATOM 484 OD1 ASN A 60 6.695 10.553 -2.060 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 7.303 8.786 -0.803 1.00 1.00 N flip ATOM 0 H ASN A 60 6.112 10.089 -4.818 1.00 1.00 H new ATOM 0 HA ASN A 60 8.766 9.730 -3.775 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.111 8.289 -3.556 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.572 7.504 -2.990 1.00 1.00 H new ATOM 0 HD21 ASN A 60 7.570 7.803 -0.742 1.00 1.00 H new ATOM 0 HD22 ASN A 60 7.248 9.353 0.043 1.00 1.00 H new ATOM 492 N GLY A 61 7.643 8.032 -6.330 1.00 1.00 N ATOM 493 CA GLY A 61 7.987 7.088 -7.380 1.00 1.00 C ATOM 494 C GLY A 61 7.411 5.703 -7.083 1.00 1.00 C ATOM 495 O GLY A 61 8.142 4.714 -7.058 1.00 1.00 O ATOM 0 H GLY A 61 6.774 8.543 -6.484 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.605 7.447 -8.336 1.00 1.00 H new ATOM 0 HA3 GLY A 61 9.071 7.022 -7.474 1.00 1.00 H new ATOM 499 N ILE A 62 6.104 5.675 -6.863 1.00 1.00 N ATOM 500 CA ILE A 62 5.421 4.427 -6.568 1.00 1.00 C ATOM 501 C ILE A 62 4.328 4.190 -7.611 1.00 1.00 C ATOM 502 O ILE A 62 3.145 4.139 -7.276 1.00 1.00 O ATOM 503 CB ILE A 62 4.907 4.425 -5.127 1.00 1.00 C ATOM 504 CG1 ILE A 62 6.067 4.358 -4.131 1.00 1.00 C ATOM 505 CG2 ILE A 62 3.896 3.298 -4.907 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.558 4.082 -2.715 1.00 1.00 C ATOM 0 H ILE A 62 5.500 6.497 -6.883 1.00 1.00 H new ATOM 0 HA ILE A 62 6.114 3.588 -6.636 1.00 1.00 H new ATOM 0 HB ILE A 62 4.384 5.365 -4.949 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.763 3.575 -4.430 1.00 1.00 H new ATOM 0 HG13 ILE A 62 6.619 5.298 -4.146 1.00 1.00 H new ATOM 0 HG21 ILE A 62 3.546 3.319 -3.875 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.049 3.433 -5.580 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.371 2.338 -5.110 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.402 4.039 -2.027 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.881 4.880 -2.410 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.028 3.130 -2.698 1.00 1.00 H new ATOM 518 N ARG A 63 4.762 4.050 -8.856 1.00 1.00 N ATOM 519 CA ARG A 63 3.835 3.819 -9.950 1.00 1.00 C ATOM 520 C ARG A 63 4.020 2.409 -10.514 1.00 1.00 C ATOM 521 O ARG A 63 4.254 2.241 -11.710 1.00 1.00 O ATOM 522 CB ARG A 63 4.040 4.841 -11.071 1.00 1.00 C ATOM 523 CG ARG A 63 4.498 6.188 -10.507 1.00 1.00 C ATOM 524 CD ARG A 63 3.901 7.348 -11.307 1.00 1.00 C ATOM 525 NE ARG A 63 4.897 7.861 -12.274 1.00 1.00 N ATOM 526 CZ ARG A 63 5.134 7.306 -13.482 1.00 1.00 C ATOM 527 NH1 ARG A 63 6.047 7.848 -14.267 1.00 1.00 N ATOM 528 NH2 ARG A 63 4.448 6.214 -13.881 1.00 1.00 N ATOM 0 H ARG A 63 5.743 4.092 -9.130 1.00 1.00 H new ATOM 0 HA ARG A 63 2.824 3.926 -9.556 1.00 1.00 H new ATOM 0 HB2 ARG A 63 4.781 4.467 -11.778 1.00 1.00 H new ATOM 0 HB3 ARG A 63 3.110 4.971 -11.624 1.00 1.00 H new ATOM 0 HG2 ARG A 63 4.198 6.270 -9.462 1.00 1.00 H new ATOM 0 HG3 ARG A 63 5.586 6.246 -10.532 1.00 1.00 H new ATOM 0 HD2 ARG A 63 3.007 7.015 -11.835 1.00 1.00 H new ATOM 0 HD3 ARG A 63 3.593 8.146 -10.631 1.00 1.00 H new ATOM 0 HE ARG A 63 5.438 8.685 -12.012 1.00 1.00 H new ATOM 0 HH11 ARG A 63 6.561 8.673 -13.958 1.00 1.00 H new ATOM 0 HH12 ARG A 63 6.239 7.441 -15.183 1.00 1.00 H new ATOM 0 HH21 ARG A 63 3.744 5.802 -13.268 1.00 1.00 H new ATOM 0 HH22 ARG A 63 4.633 5.801 -14.795 1.00 1.00 H new ATOM 538 N THR A 64 3.908 1.432 -9.627 1.00 1.00 N ATOM 539 CA THR A 64 4.061 0.042 -10.022 1.00 1.00 C ATOM 540 C THR A 64 3.395 -0.879 -8.997 1.00 1.00 C ATOM 541 O THR A 64 3.020 -0.438 -7.912 1.00 1.00 O ATOM 542 CB THR A 64 5.553 -0.236 -10.209 1.00 1.00 C ATOM 543 OG1 THR A 64 6.179 0.517 -9.173 1.00 1.00 O ATOM 544 CG2 THR A 64 6.105 0.375 -11.499 1.00 1.00 C ATOM 0 H THR A 64 3.713 1.575 -8.636 1.00 1.00 H new ATOM 0 HA THR A 64 3.558 -0.158 -10.968 1.00 1.00 H new ATOM 0 HB THR A 64 5.724 -1.313 -10.215 1.00 1.00 H new ATOM 0 HG1 THR A 64 7.150 0.393 -9.219 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.168 0.148 -11.583 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.576 -0.043 -12.355 1.00 1.00 H new ATOM 0 HG23 THR A 64 5.965 1.456 -11.479 1.00 1.00 H new ATOM 552 N VAL A 65 3.270 -2.142 -9.378 1.00 1.00 N ATOM 553 CA VAL A 65 2.656 -3.129 -8.506 1.00 1.00 C ATOM 554 C VAL A 65 3.691 -3.620 -7.491 1.00 1.00 C ATOM 555 O VAL A 65 3.456 -3.565 -6.285 1.00 1.00 O ATOM 556 CB VAL A 65 2.054 -4.262 -9.340 1.00 1.00 C ATOM 557 CG1 VAL A 65 1.731 -5.475 -8.465 1.00 1.00 C ATOM 558 CG2 VAL A 65 0.812 -3.785 -10.096 1.00 1.00 C ATOM 0 H VAL A 65 3.583 -2.504 -10.279 1.00 1.00 H new ATOM 0 HA VAL A 65 1.834 -2.684 -7.945 1.00 1.00 H new ATOM 0 HB VAL A 65 2.797 -4.568 -10.076 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.304 -6.266 -9.082 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.644 -5.836 -7.993 1.00 1.00 H new ATOM 0 HG13 VAL A 65 1.014 -5.188 -7.696 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.403 -4.609 -10.681 1.00 1.00 H new ATOM 0 HG22 VAL A 65 0.063 -3.439 -9.384 1.00 1.00 H new ATOM 0 HG23 VAL A 65 1.084 -2.967 -10.763 1.00 1.00 H new ATOM 568 N ARG A 66 4.813 -4.087 -8.016 1.00 1.00 N ATOM 569 CA ARG A 66 5.884 -4.586 -7.171 1.00 1.00 C ATOM 570 C ARG A 66 6.087 -3.661 -5.969 1.00 1.00 C ATOM 571 O ARG A 66 5.881 -4.068 -4.827 1.00 1.00 O ATOM 572 CB ARG A 66 7.197 -4.694 -7.950 1.00 1.00 C ATOM 573 CG ARG A 66 7.230 -5.968 -8.796 1.00 1.00 C ATOM 574 CD ARG A 66 8.635 -6.228 -9.342 1.00 1.00 C ATOM 575 NE ARG A 66 8.779 -7.654 -9.712 1.00 1.00 N ATOM 576 CZ ARG A 66 9.166 -8.623 -8.856 1.00 1.00 C ATOM 577 NH1 ARG A 66 9.260 -9.864 -9.295 1.00 1.00 N ATOM 578 NH2 ARG A 66 9.452 -8.327 -7.570 1.00 1.00 N ATOM 0 H ARG A 66 5.004 -4.131 -9.017 1.00 1.00 H new ATOM 0 HA ARG A 66 5.597 -5.579 -6.826 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.314 -3.823 -8.594 1.00 1.00 H new ATOM 0 HB3 ARG A 66 8.037 -4.693 -7.255 1.00 1.00 H new ATOM 0 HG2 ARG A 66 6.907 -6.817 -8.194 1.00 1.00 H new ATOM 0 HG3 ARG A 66 6.526 -5.878 -9.623 1.00 1.00 H new ATOM 0 HD2 ARG A 66 8.818 -5.598 -10.212 1.00 1.00 H new ATOM 0 HD3 ARG A 66 9.380 -5.961 -8.593 1.00 1.00 H new ATOM 0 HE ARG A 66 8.573 -7.921 -10.675 1.00 1.00 H new ATOM 0 HH11 ARG A 66 9.042 -10.079 -10.268 1.00 1.00 H new ATOM 0 HH12 ARG A 66 9.551 -10.608 -8.661 1.00 1.00 H new ATOM 0 HH21 ARG A 66 9.376 -7.365 -7.239 1.00 1.00 H new ATOM 0 HH22 ARG A 66 9.744 -9.065 -6.929 1.00 1.00 H new ATOM 588 N ASP A 67 6.488 -2.435 -6.268 1.00 1.00 N ATOM 589 CA ASP A 67 6.721 -1.449 -5.226 1.00 1.00 C ATOM 590 C ASP A 67 5.711 -1.658 -4.097 1.00 1.00 C ATOM 591 O ASP A 67 6.067 -1.594 -2.921 1.00 1.00 O ATOM 592 CB ASP A 67 6.541 -0.027 -5.763 1.00 1.00 C ATOM 593 CG ASP A 67 7.727 0.516 -6.564 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.503 -0.249 -7.154 1.00 1.00 O ATOM 595 OD2 ASP A 67 7.839 1.801 -6.567 1.00 1.00 O ATOM 0 H ASP A 67 6.658 -2.101 -7.217 1.00 1.00 H new ATOM 0 HA ASP A 67 7.743 -1.573 -4.867 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.653 -0.003 -6.395 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.352 0.642 -4.923 1.00 1.00 H new ATOM 601 N VAL A 68 4.471 -1.905 -4.493 1.00 1.00 N ATOM 602 CA VAL A 68 3.406 -2.125 -3.529 1.00 1.00 C ATOM 603 C VAL A 68 3.417 -3.590 -3.089 1.00 1.00 C ATOM 604 O VAL A 68 2.385 -4.259 -3.121 1.00 1.00 O ATOM 605 CB VAL A 68 2.065 -1.688 -4.121 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.928 -1.899 -3.118 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.120 -0.232 -4.589 1.00 1.00 C ATOM 0 H VAL A 68 4.180 -1.958 -5.469 1.00 1.00 H new ATOM 0 HA VAL A 68 3.566 -1.517 -2.638 1.00 1.00 H new ATOM 0 HB VAL A 68 1.864 -2.312 -4.992 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -0.014 -1.580 -3.564 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.866 -2.955 -2.855 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.121 -1.312 -2.220 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.154 0.053 -5.006 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.355 0.414 -3.743 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.890 -0.124 -5.353 1.00 1.00 H new ATOM 617 N ALA A 69 4.595 -4.046 -2.689 1.00 1.00 N ATOM 618 CA ALA A 69 4.753 -5.420 -2.243 1.00 1.00 C ATOM 619 C ALA A 69 6.075 -5.557 -1.484 1.00 1.00 C ATOM 620 O ALA A 69 6.131 -6.204 -0.440 1.00 1.00 O ATOM 621 CB ALA A 69 4.673 -6.360 -3.448 1.00 1.00 C ATOM 0 H ALA A 69 5.449 -3.489 -2.664 1.00 1.00 H new ATOM 0 HA ALA A 69 3.950 -5.696 -1.559 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.791 -7.391 -3.114 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.705 -6.245 -3.935 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.466 -6.114 -4.154 1.00 1.00 H new ATOM 627 N ALA A 70 7.105 -4.936 -2.039 1.00 1.00 N ATOM 628 CA ALA A 70 8.423 -4.980 -1.428 1.00 1.00 C ATOM 629 C ALA A 70 8.455 -4.032 -0.227 1.00 1.00 C ATOM 630 O ALA A 70 8.602 -4.439 0.923 1.00 1.00 O ATOM 631 CB ALA A 70 9.483 -4.632 -2.474 1.00 1.00 C ATOM 0 H ALA A 70 7.054 -4.400 -2.905 1.00 1.00 H new ATOM 0 HA ALA A 70 8.643 -5.983 -1.063 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.471 -4.665 -2.015 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.438 -5.352 -3.291 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.296 -3.631 -2.862 1.00 1.00 H new ATOM 637 N TYR A 71 8.312 -2.739 -0.526 1.00 1.00 N ATOM 638 CA TYR A 71 8.323 -1.714 0.498 1.00 1.00 C ATOM 639 C TYR A 71 7.459 -2.149 1.673 1.00 1.00 C ATOM 640 O TYR A 71 7.960 -2.189 2.796 1.00 1.00 O ATOM 641 CB TYR A 71 7.812 -0.402 -0.092 1.00 1.00 C ATOM 642 CG TYR A 71 8.906 0.603 -0.365 1.00 1.00 C ATOM 643 CD1 TYR A 71 8.832 1.886 0.190 1.00 1.00 C ATOM 644 CD2 TYR A 71 9.993 0.251 -1.173 1.00 1.00 C ATOM 645 CE1 TYR A 71 9.846 2.817 -0.063 1.00 1.00 C ATOM 646 CE2 TYR A 71 11.008 1.182 -1.426 1.00 1.00 C ATOM 647 CZ TYR A 71 10.934 2.465 -0.871 1.00 1.00 C ATOM 648 OH TYR A 71 11.922 3.373 -1.117 1.00 1.00 O ATOM 0 H TYR A 71 8.187 -2.385 -1.474 1.00 1.00 H new ATOM 0 HA TYR A 71 9.341 -1.564 0.857 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.283 -0.613 -1.021 1.00 1.00 H new ATOM 0 HB3 TYR A 71 7.088 0.038 0.594 1.00 1.00 H new ATOM 0 HD1 TYR A 71 7.993 2.157 0.813 1.00 1.00 H new ATOM 0 HD2 TYR A 71 10.049 -0.739 -1.601 1.00 1.00 H new ATOM 0 HE1 TYR A 71 9.789 3.807 0.365 1.00 1.00 H new ATOM 0 HE2 TYR A 71 11.847 0.910 -2.049 1.00 1.00 H new ATOM 0 HH TYR A 71 12.602 2.968 -1.694 1.00 1.00 H new ATOM 658 N ILE A 72 6.201 -2.462 1.401 1.00 1.00 N ATOM 659 CA ILE A 72 5.292 -2.891 2.451 1.00 1.00 C ATOM 660 C ILE A 72 6.034 -3.819 3.414 1.00 1.00 C ATOM 661 O ILE A 72 5.796 -3.787 4.621 1.00 1.00 O ATOM 662 CB ILE A 72 4.031 -3.512 1.847 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.379 -4.713 0.966 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.212 -2.464 1.091 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.264 -5.760 1.002 1.00 1.00 C ATOM 0 H ILE A 72 5.789 -2.427 0.468 1.00 1.00 H new ATOM 0 HA ILE A 72 4.950 -2.035 3.033 1.00 1.00 H new ATOM 0 HB ILE A 72 3.408 -3.881 2.662 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.539 -4.382 -0.060 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.313 -5.160 1.306 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.321 -2.932 0.672 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.916 -1.670 1.776 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.814 -2.043 0.286 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.536 -6.603 0.367 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.123 -6.107 2.026 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.337 -5.317 0.638 1.00 1.00 H new ATOM 677 N ARG A 73 6.919 -4.624 2.846 1.00 1.00 N ATOM 678 CA ARG A 73 7.698 -5.560 3.639 1.00 1.00 C ATOM 679 C ARG A 73 8.482 -4.815 4.721 1.00 1.00 C ATOM 680 O ARG A 73 8.225 -4.989 5.911 1.00 1.00 O ATOM 681 CB ARG A 73 8.674 -6.347 2.762 1.00 1.00 C ATOM 682 CG ARG A 73 9.203 -7.579 3.500 1.00 1.00 C ATOM 683 CD ARG A 73 9.002 -8.846 2.667 1.00 1.00 C ATOM 684 NE ARG A 73 9.950 -9.895 3.105 1.00 1.00 N ATOM 685 CZ ARG A 73 10.350 -10.925 2.329 1.00 1.00 C ATOM 686 NH1 ARG A 73 11.200 -11.806 2.823 1.00 1.00 N ATOM 687 NH2 ARG A 73 9.887 -11.053 1.067 1.00 1.00 N ATOM 0 H ARG A 73 7.114 -4.648 1.845 1.00 1.00 H new ATOM 0 HA ARG A 73 7.003 -6.258 4.105 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.175 -6.655 1.843 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.507 -5.706 2.473 1.00 1.00 H new ATOM 0 HG2 ARG A 73 10.263 -7.448 3.720 1.00 1.00 H new ATOM 0 HG3 ARG A 73 8.690 -7.683 4.456 1.00 1.00 H new ATOM 0 HD2 ARG A 73 7.977 -9.203 2.774 1.00 1.00 H new ATOM 0 HD3 ARG A 73 9.154 -8.625 1.611 1.00 1.00 H new ATOM 0 HE ARG A 73 10.324 -9.836 4.052 1.00 1.00 H new ATOM 0 HH11 ARG A 73 11.544 -11.703 3.778 1.00 1.00 H new ATOM 0 HH12 ARG A 73 11.512 -12.590 2.250 1.00 1.00 H new ATOM 0 HH21 ARG A 73 9.230 -10.368 0.693 1.00 1.00 H new ATOM 0 HH22 ARG A 73 10.195 -11.834 0.488 1.00 1.00 H new ATOM 697 N ASN A 74 9.424 -4.000 4.268 1.00 1.00 N ATOM 698 CA ASN A 74 10.247 -3.227 5.183 1.00 1.00 C ATOM 699 C ASN A 74 10.164 -1.746 4.810 1.00 1.00 C ATOM 700 O ASN A 74 11.087 -1.161 4.249 1.00 1.00 O ATOM 701 CB ASN A 74 11.714 -3.654 5.097 1.00 1.00 C ATOM 702 CG ASN A 74 12.460 -3.315 6.390 1.00 1.00 C ATOM 703 OD1 ASN A 74 13.349 -2.481 6.423 1.00 1.00 O ATOM 704 ND2 ASN A 74 12.049 -4.006 7.449 1.00 1.00 N ATOM 0 H ASN A 74 9.635 -3.858 3.280 1.00 1.00 H new ATOM 0 HA ASN A 74 9.879 -3.398 6.195 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.774 -4.726 4.908 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.193 -3.155 4.255 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.484 -3.852 8.359 1.00 1.00 H new ATOM 0 HD22 ASN A 74 11.299 -4.690 7.352 1.00 1.00 H new ATOM 711 N PRO A 75 9.018 -1.145 5.139 1.00 1.00 N ATOM 712 CA PRO A 75 8.725 0.249 4.883 1.00 1.00 C ATOM 713 C PRO A 75 9.363 1.112 5.962 1.00 1.00 C ATOM 714 O PRO A 75 9.926 0.561 6.907 1.00 1.00 O ATOM 715 CB PRO A 75 7.201 0.345 4.935 1.00 1.00 C ATOM 716 CG PRO A 75 6.807 -0.750 5.860 1.00 1.00 C ATOM 717 CD PRO A 75 7.911 -1.802 5.799 1.00 1.00 C ATOM 0 HA PRO A 75 9.116 0.596 3.926 1.00 1.00 H new ATOM 0 HB2 PRO A 75 6.874 1.317 5.304 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.758 0.213 3.948 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.689 -0.373 6.876 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.849 -1.178 5.565 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.190 -2.139 6.797 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.587 -2.682 5.244 1.00 1.00 H new ATOM 725 N GLY A 76 9.268 2.424 5.806 1.00 1.00 N ATOM 726 CA GLY A 76 9.845 3.337 6.779 1.00 1.00 C ATOM 727 C GLY A 76 8.887 3.569 7.949 1.00 1.00 C ATOM 728 O GLY A 76 7.862 2.907 8.093 1.00 1.00 O ATOM 0 H GLY A 76 8.800 2.877 5.021 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.786 2.931 7.150 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.075 4.288 6.299 1.00 1.00 H new ATOM 732 N PRO A 77 9.251 4.538 8.792 1.00 1.00 N ATOM 733 CA PRO A 77 8.494 4.926 9.963 1.00 1.00 C ATOM 734 C PRO A 77 7.125 5.437 9.540 1.00 1.00 C ATOM 735 O PRO A 77 6.985 5.893 8.406 1.00 1.00 O ATOM 736 CB PRO A 77 9.318 6.038 10.610 1.00 1.00 C ATOM 737 CG PRO A 77 10.220 6.553 9.544 1.00 1.00 C ATOM 738 CD PRO A 77 10.450 5.335 8.652 1.00 1.00 C ATOM 0 HA PRO A 77 8.325 4.099 10.653 1.00 1.00 H new ATOM 0 HB2 PRO A 77 8.673 6.830 10.992 1.00 1.00 H new ATOM 0 HB3 PRO A 77 9.891 5.658 11.456 1.00 1.00 H new ATOM 0 HG2 PRO A 77 9.762 7.374 8.992 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.155 6.930 9.957 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.609 5.630 7.615 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.333 4.778 8.964 1.00 1.00 H new ATOM 746 N GLY A 78 6.155 5.354 10.439 1.00 1.00 N ATOM 747 CA GLY A 78 4.811 5.812 10.135 1.00 1.00 C ATOM 748 C GLY A 78 3.929 4.653 9.667 1.00 1.00 C ATOM 749 O GLY A 78 2.731 4.626 9.948 1.00 1.00 O ATOM 0 H GLY A 78 6.274 4.976 11.379 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.372 6.274 11.019 1.00 1.00 H new ATOM 0 HA3 GLY A 78 4.851 6.579 9.361 1.00 1.00 H new ATOM 753 N MET A 79 4.555 3.722 8.962 1.00 1.00 N ATOM 754 CA MET A 79 3.842 2.563 8.452 1.00 1.00 C ATOM 755 C MET A 79 4.439 1.267 9.002 1.00 1.00 C ATOM 756 O MET A 79 5.645 1.034 8.958 1.00 1.00 O ATOM 757 CB MET A 79 3.913 2.551 6.924 1.00 1.00 C ATOM 758 CG MET A 79 2.711 1.818 6.325 1.00 1.00 C ATOM 759 SD MET A 79 2.507 2.278 4.612 1.00 1.00 S ATOM 760 CE MET A 79 3.073 0.782 3.820 1.00 1.00 C ATOM 0 H MET A 79 5.548 3.747 8.732 1.00 1.00 H new ATOM 0 HA MET A 79 2.803 2.628 8.775 1.00 1.00 H new ATOM 0 HB2 MET A 79 3.943 3.574 6.550 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.835 2.067 6.603 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.854 0.741 6.406 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.809 2.063 6.886 1.00 1.00 H new ATOM 0 HE1 MET A 79 3.012 0.898 2.738 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.107 0.587 4.106 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.447 -0.054 4.132 1.00 1.00 H new ATOM 770 N PRO A 80 3.555 0.417 9.529 1.00 1.00 N ATOM 771 CA PRO A 80 3.899 -0.866 10.103 1.00 1.00 C ATOM 772 C PRO A 80 4.700 -1.679 9.096 1.00 1.00 C ATOM 773 O PRO A 80 5.476 -1.092 8.343 1.00 1.00 O ATOM 774 CB PRO A 80 2.558 -1.533 10.402 1.00 1.00 C ATOM 775 CG PRO A 80 1.586 -0.444 10.502 1.00 1.00 C ATOM 776 CD PRO A 80 2.130 0.659 9.597 1.00 1.00 C ATOM 0 HA PRO A 80 4.512 -0.778 11.000 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.283 -2.231 9.611 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.603 -2.104 11.330 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.597 -0.768 10.178 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.487 -0.097 11.531 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.675 0.618 8.607 1.00 1.00 H new ATOM 0 HD3 PRO A 80 1.916 1.647 10.006 1.00 1.00 H new ATOM 784 N ALA A 81 4.504 -2.989 9.099 1.00 1.00 N ATOM 785 CA ALA A 81 5.220 -3.855 8.178 1.00 1.00 C ATOM 786 C ALA A 81 4.416 -5.139 7.963 1.00 1.00 C ATOM 787 O ALA A 81 3.558 -5.482 8.775 1.00 1.00 O ATOM 788 CB ALA A 81 6.623 -4.130 8.723 1.00 1.00 C ATOM 0 H ALA A 81 3.859 -3.472 9.725 1.00 1.00 H new ATOM 0 HA ALA A 81 5.336 -3.372 7.208 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.161 -4.780 8.032 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.162 -3.189 8.830 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.547 -4.618 9.695 1.00 1.00 H new ATOM 794 N PHE A 82 4.722 -5.813 6.865 1.00 1.00 N ATOM 795 CA PHE A 82 4.039 -7.052 6.532 1.00 1.00 C ATOM 796 C PHE A 82 5.007 -8.065 5.918 1.00 1.00 C ATOM 797 O PHE A 82 5.374 -7.949 4.750 1.00 1.00 O ATOM 798 CB PHE A 82 2.961 -6.706 5.503 1.00 1.00 C ATOM 799 CG PHE A 82 1.972 -5.637 5.972 1.00 1.00 C ATOM 800 CD1 PHE A 82 0.846 -6.000 6.642 1.00 1.00 C ATOM 801 CD2 PHE A 82 2.220 -4.324 5.720 1.00 1.00 C ATOM 802 CE1 PHE A 82 -0.072 -5.008 7.077 1.00 1.00 C ATOM 803 CE2 PHE A 82 1.303 -3.332 6.156 1.00 1.00 C ATOM 804 CZ PHE A 82 0.176 -3.694 6.825 1.00 1.00 C ATOM 0 H PHE A 82 5.434 -5.525 6.194 1.00 1.00 H new ATOM 0 HA PHE A 82 3.615 -7.496 7.433 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.444 -6.363 4.588 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.409 -7.612 5.252 1.00 1.00 H new ATOM 0 HD1 PHE A 82 0.650 -7.043 6.843 1.00 1.00 H new ATOM 0 HD2 PHE A 82 3.115 -4.036 5.188 1.00 1.00 H new ATOM 0 HE1 PHE A 82 -0.967 -5.296 7.608 1.00 1.00 H new ATOM 0 HE2 PHE A 82 1.501 -2.289 5.956 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.522 -2.939 7.156 1.00 1.00 H new ATOM 814 N GLY A 83 5.394 -9.035 6.733 1.00 1.00 N ATOM 815 CA GLY A 83 6.313 -10.068 6.285 1.00 1.00 C ATOM 816 C GLY A 83 5.554 -11.311 5.818 1.00 1.00 C ATOM 817 O GLY A 83 4.335 -11.276 5.659 1.00 1.00 O ATOM 0 H GLY A 83 5.088 -9.128 7.702 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.927 -9.685 5.470 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.990 -10.334 7.097 1.00 1.00 H new ATOM 821 N GLU A 84 6.307 -12.382 5.610 1.00 1.00 N ATOM 822 CA GLU A 84 5.721 -13.634 5.165 1.00 1.00 C ATOM 823 C GLU A 84 5.078 -14.368 6.343 1.00 1.00 C ATOM 824 O GLU A 84 4.598 -15.491 6.192 1.00 1.00 O ATOM 825 CB GLU A 84 6.766 -14.513 4.475 1.00 1.00 C ATOM 826 CG GLU A 84 7.813 -15.008 5.475 1.00 1.00 C ATOM 827 CD GLU A 84 8.295 -16.414 5.114 1.00 1.00 C ATOM 828 OE1 GLU A 84 9.484 -16.605 4.818 1.00 1.00 O ATOM 829 OE2 GLU A 84 7.385 -17.328 5.148 1.00 1.00 O ATOM 0 H GLU A 84 7.318 -12.408 5.742 1.00 1.00 H new ATOM 0 HA GLU A 84 4.943 -13.410 4.435 1.00 1.00 H new ATOM 0 HB2 GLU A 84 6.276 -15.365 4.004 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.255 -13.948 3.681 1.00 1.00 H new ATOM 0 HG2 GLU A 84 8.660 -14.322 5.489 1.00 1.00 H new ATOM 0 HG3 GLU A 84 7.389 -15.012 6.479 1.00 1.00 H new ATOM 837 N ALA A 85 5.090 -13.705 7.490 1.00 1.00 N ATOM 838 CA ALA A 85 4.514 -14.281 8.693 1.00 1.00 C ATOM 839 C ALA A 85 2.998 -14.398 8.522 1.00 1.00 C ATOM 840 O ALA A 85 2.402 -15.404 8.903 1.00 1.00 O ATOM 841 CB ALA A 85 4.900 -13.427 9.903 1.00 1.00 C ATOM 0 H ALA A 85 5.490 -12.774 7.612 1.00 1.00 H new ATOM 0 HA ALA A 85 4.905 -15.284 8.863 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.468 -13.859 10.806 1.00 1.00 H new ATOM 0 HB2 ALA A 85 5.986 -13.399 9.997 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.522 -12.414 9.769 1.00 1.00 H new ATOM 847 N MET A 86 2.417 -13.355 7.947 1.00 1.00 N ATOM 848 CA MET A 86 0.982 -13.328 7.721 1.00 1.00 C ATOM 849 C MET A 86 0.663 -13.328 6.224 1.00 1.00 C ATOM 850 O MET A 86 -0.093 -14.173 5.748 1.00 1.00 O ATOM 851 CB MET A 86 0.386 -12.077 8.370 1.00 1.00 C ATOM 852 CG MET A 86 -1.129 -12.215 8.535 1.00 1.00 C ATOM 853 SD MET A 86 -1.738 -10.956 9.645 1.00 1.00 S ATOM 854 CE MET A 86 -1.079 -11.559 11.190 1.00 1.00 C ATOM 0 H MET A 86 2.914 -12.522 7.631 1.00 1.00 H new ATOM 0 HA MET A 86 0.546 -14.222 8.167 1.00 1.00 H new ATOM 0 HB2 MET A 86 0.848 -11.912 9.343 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.611 -11.203 7.759 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.619 -12.125 7.565 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.372 -13.204 8.924 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.730 -11.250 12.008 1.00 1.00 H new ATOM 0 HE2 MET A 86 -1.023 -12.647 11.162 1.00 1.00 H new ATOM 0 HE3 MET A 86 -0.081 -11.148 11.345 1.00 1.00 H new ATOM 864 N ILE A 87 1.256 -12.371 5.525 1.00 1.00 N ATOM 865 CA ILE A 87 1.044 -12.251 4.093 1.00 1.00 C ATOM 866 C ILE A 87 2.370 -12.479 3.365 1.00 1.00 C ATOM 867 O ILE A 87 3.339 -11.741 3.527 1.00 1.00 O ATOM 868 CB ILE A 87 0.382 -10.912 3.760 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.878 -10.699 4.601 1.00 1.00 C ATOM 870 CG2 ILE A 87 0.098 -10.799 2.261 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.842 -9.732 3.909 1.00 1.00 C ATOM 0 H ILE A 87 1.883 -11.672 5.924 1.00 1.00 H new ATOM 0 HA ILE A 87 0.352 -13.018 3.744 1.00 1.00 H new ATOM 0 HB ILE A 87 1.078 -10.113 4.016 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.374 -11.655 4.768 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.604 -10.306 5.580 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.372 -9.838 2.051 1.00 1.00 H new ATOM 0 HG22 ILE A 87 1.034 -10.874 1.707 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.570 -11.604 1.955 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.729 -9.598 4.528 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.351 -8.770 3.765 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.133 -10.139 2.941 1.00 1.00 H new ATOM 883 N PRO A 88 2.390 -13.534 2.547 1.00 1.00 N ATOM 884 CA PRO A 88 3.537 -13.934 1.760 1.00 1.00 C ATOM 885 C PRO A 88 3.735 -12.954 0.612 1.00 1.00 C ATOM 886 O PRO A 88 2.769 -12.529 -0.018 1.00 1.00 O ATOM 887 CB PRO A 88 3.186 -15.325 1.237 1.00 1.00 C ATOM 888 CG PRO A 88 1.704 -15.339 1.191 1.00 1.00 C ATOM 889 CD PRO A 88 1.269 -14.423 2.332 1.00 1.00 C ATOM 0 HA PRO A 88 4.464 -13.943 2.334 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.616 -15.499 0.250 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.570 -16.105 1.894 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.335 -14.978 0.231 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.314 -16.348 1.323 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.369 -13.867 2.070 1.00 1.00 H new ATOM 0 HD3 PRO A 88 1.040 -14.994 3.232 1.00 1.00 H new ATOM 897 N PRO A 89 4.992 -12.595 0.343 1.00 1.00 N ATOM 898 CA PRO A 89 5.371 -11.675 -0.709 1.00 1.00 C ATOM 899 C PRO A 89 4.545 -11.959 -1.956 1.00 1.00 C ATOM 900 O PRO A 89 4.053 -11.013 -2.569 1.00 1.00 O ATOM 901 CB PRO A 89 6.852 -11.953 -0.958 1.00 1.00 C ATOM 902 CG PRO A 89 7.348 -12.469 0.334 1.00 1.00 C ATOM 903 CD PRO A 89 6.151 -13.075 1.064 1.00 1.00 C ATOM 0 HA PRO A 89 5.199 -10.632 -0.443 1.00 1.00 H new ATOM 0 HB2 PRO A 89 6.991 -12.681 -1.757 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.382 -11.048 -1.255 1.00 1.00 H new ATOM 0 HG2 PRO A 89 8.124 -13.219 0.177 1.00 1.00 H new ATOM 0 HG3 PRO A 89 7.794 -11.668 0.923 1.00 1.00 H new ATOM 0 HD2 PRO A 89 6.196 -14.164 1.060 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.125 -12.761 2.108 1.00 1.00 H new ATOM 911 N ALA A 90 4.411 -13.230 -2.303 1.00 1.00 N ATOM 912 CA ALA A 90 3.644 -13.608 -3.478 1.00 1.00 C ATOM 913 C ALA A 90 2.209 -13.098 -3.331 1.00 1.00 C ATOM 914 O ALA A 90 1.626 -12.590 -4.288 1.00 1.00 O ATOM 915 CB ALA A 90 3.707 -15.125 -3.662 1.00 1.00 C ATOM 0 H ALA A 90 4.821 -14.012 -1.791 1.00 1.00 H new ATOM 0 HA ALA A 90 4.066 -13.153 -4.374 1.00 1.00 H new ATOM 0 HB1 ALA A 90 3.132 -15.409 -4.543 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.745 -15.433 -3.791 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.290 -15.616 -2.783 1.00 1.00 H new ATOM 921 N ASP A 91 1.682 -13.249 -2.125 1.00 1.00 N ATOM 922 CA ASP A 91 0.326 -12.810 -1.841 1.00 1.00 C ATOM 923 C ASP A 91 0.298 -11.283 -1.749 1.00 1.00 C ATOM 924 O ASP A 91 -0.768 -10.686 -1.608 1.00 1.00 O ATOM 925 CB ASP A 91 -0.167 -13.373 -0.506 1.00 1.00 C ATOM 926 CG ASP A 91 -0.466 -14.873 -0.508 1.00 1.00 C ATOM 927 OD1 ASP A 91 0.272 -15.671 -1.105 1.00 1.00 O ATOM 928 OD2 ASP A 91 -1.522 -15.219 0.147 1.00 1.00 O ATOM 0 H ASP A 91 2.169 -13.669 -1.333 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.319 -13.167 -2.644 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.584 -13.169 0.257 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -1.071 -12.838 -0.215 1.00 1.00 H new ATOM 934 N ALA A 92 1.483 -10.695 -1.833 1.00 1.00 N ATOM 935 CA ALA A 92 1.607 -9.249 -1.762 1.00 1.00 C ATOM 936 C ALA A 92 1.482 -8.661 -3.168 1.00 1.00 C ATOM 937 O ALA A 92 0.961 -7.560 -3.340 1.00 1.00 O ATOM 938 CB ALA A 92 2.934 -8.884 -1.092 1.00 1.00 C ATOM 0 H ALA A 92 2.365 -11.194 -1.949 1.00 1.00 H new ATOM 0 HA ALA A 92 0.807 -8.824 -1.156 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.028 -7.799 -1.038 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.960 -9.301 -0.085 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.760 -9.291 -1.675 1.00 1.00 H new ATOM 944 N LEU A 93 1.969 -9.420 -4.138 1.00 1.00 N ATOM 945 CA LEU A 93 1.919 -8.987 -5.524 1.00 1.00 C ATOM 946 C LEU A 93 0.458 -8.860 -5.961 1.00 1.00 C ATOM 947 O LEU A 93 0.163 -8.244 -6.984 1.00 1.00 O ATOM 948 CB LEU A 93 2.746 -9.923 -6.409 1.00 1.00 C ATOM 949 CG LEU A 93 4.263 -9.852 -6.225 1.00 1.00 C ATOM 950 CD1 LEU A 93 4.951 -11.053 -6.877 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.816 -8.523 -6.744 1.00 1.00 C ATOM 0 H LEU A 93 2.400 -10.333 -3.992 1.00 1.00 H new ATOM 0 HA LEU A 93 2.372 -8.002 -5.632 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.424 -10.947 -6.221 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.516 -9.703 -7.451 1.00 1.00 H new ATOM 0 HG LEU A 93 4.481 -9.897 -5.158 1.00 1.00 H new ATOM 0 HD11 LEU A 93 6.029 -10.978 -6.732 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.586 -11.973 -6.420 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.729 -11.065 -7.944 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.896 -8.498 -6.601 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.588 -8.423 -7.805 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.359 -7.700 -6.196 1.00 1.00 H new ATOM 963 N LYS A 94 -0.419 -9.454 -5.164 1.00 1.00 N ATOM 964 CA LYS A 94 -1.842 -9.415 -5.456 1.00 1.00 C ATOM 965 C LYS A 94 -2.448 -8.149 -4.846 1.00 1.00 C ATOM 966 O LYS A 94 -3.535 -7.727 -5.238 1.00 1.00 O ATOM 967 CB LYS A 94 -2.519 -10.706 -4.992 1.00 1.00 C ATOM 968 CG LYS A 94 -2.650 -10.740 -3.468 1.00 1.00 C ATOM 969 CD LYS A 94 -4.119 -10.805 -3.046 1.00 1.00 C ATOM 970 CE LYS A 94 -4.630 -12.247 -3.062 1.00 1.00 C ATOM 971 NZ LYS A 94 -6.073 -12.283 -3.392 1.00 1.00 N ATOM 0 H LYS A 94 -0.171 -9.965 -4.317 1.00 1.00 H new ATOM 0 HA LYS A 94 -2.010 -9.363 -6.532 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -3.506 -10.787 -5.447 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -1.941 -11.566 -5.330 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -2.116 -11.604 -3.073 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -2.184 -9.853 -3.039 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -4.233 -10.386 -2.046 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -4.722 -10.194 -3.718 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -4.069 -12.830 -3.793 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -4.462 -12.709 -2.089 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -6.403 -13.269 -3.398 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -6.606 -11.744 -2.679 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -6.225 -11.861 -4.330 1.00 1.00 H new ATOM 984 N ILE A 95 -1.719 -7.579 -3.898 1.00 1.00 N ATOM 985 CA ILE A 95 -2.171 -6.370 -3.231 1.00 1.00 C ATOM 986 C ILE A 95 -1.900 -5.164 -4.132 1.00 1.00 C ATOM 987 O ILE A 95 -2.776 -4.323 -4.330 1.00 1.00 O ATOM 988 CB ILE A 95 -1.539 -6.256 -1.843 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.659 -7.574 -1.075 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.135 -5.082 -1.064 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.077 -7.765 -0.534 1.00 1.00 C ATOM 0 H ILE A 95 -0.818 -7.932 -3.576 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.247 -6.407 -3.063 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.475 -6.053 -1.968 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.401 -8.406 -1.730 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -0.947 -7.585 -0.250 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.668 -5.023 -0.081 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -1.953 -4.155 -1.608 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.209 -5.230 -0.948 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.136 -8.709 0.008 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.323 -6.944 0.140 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -3.784 -7.778 -1.363 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.683 -5.117 -4.654 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.286 -4.027 -5.529 1.00 1.00 C ATOM 1005 C GLY A 96 -1.344 -3.774 -6.604 1.00 1.00 C ATOM 1006 O GLY A 96 -1.448 -2.666 -7.129 1.00 1.00 O ATOM 0 H GLY A 96 0.041 -5.816 -4.488 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.135 -3.121 -4.942 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.668 -4.264 -6.001 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.102 -4.819 -6.901 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.149 -4.724 -7.904 1.00 1.00 C ATOM 1012 C GLU A 97 -4.265 -3.795 -7.421 1.00 1.00 C ATOM 1013 O GLU A 97 -4.702 -2.882 -8.118 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.701 -6.107 -8.254 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.573 -7.134 -8.370 1.00 1.00 C ATOM 1016 CD GLU A 97 -3.050 -8.394 -9.095 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.441 -9.374 -8.443 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -3.007 -8.331 -10.382 1.00 1.00 O ATOM 0 H GLU A 97 -2.012 -5.736 -6.464 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.718 -4.301 -8.811 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.409 -6.424 -7.489 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.250 -6.056 -9.194 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.732 -6.697 -8.909 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.212 -7.397 -7.376 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.721 -4.052 -6.193 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.777 -3.264 -5.592 1.00 1.00 C ATOM 1028 C TYR A 98 -5.455 -1.782 -5.722 1.00 1.00 C ATOM 1029 O TYR A 98 -6.381 -0.974 -5.771 1.00 1.00 O ATOM 1030 CB TYR A 98 -5.931 -3.657 -4.125 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.146 -3.053 -3.463 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -6.992 -2.049 -2.500 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -8.427 -3.497 -3.813 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -8.118 -1.488 -1.886 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -9.554 -2.936 -3.199 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.400 -1.932 -2.236 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.497 -1.386 -1.638 1.00 1.00 O ATOM 0 H TYR A 98 -4.368 -4.804 -5.601 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.718 -3.457 -6.108 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -5.990 -4.743 -4.052 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.039 -3.349 -3.579 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -6.004 -1.707 -2.230 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -8.546 -4.272 -4.556 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -7.999 -0.713 -1.143 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -10.542 -3.278 -3.469 1.00 1.00 H new ATOM 0 HH TYR A 98 -11.307 -1.806 -1.995 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.172 -1.457 -5.774 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.755 -0.070 -5.899 1.00 1.00 C ATOM 1049 C VAL A 99 -3.543 0.263 -7.377 1.00 1.00 C ATOM 1050 O VAL A 99 -2.727 1.120 -7.712 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.511 0.182 -5.044 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -1.930 1.570 -5.319 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -2.822 0.001 -3.557 1.00 1.00 C ATOM 0 H VAL A 99 -3.407 -2.130 -5.732 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.531 0.597 -5.524 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.758 -0.557 -5.320 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.047 1.724 -4.699 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.653 1.647 -6.370 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.676 2.330 -5.084 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -1.921 0.186 -2.972 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.599 0.705 -3.259 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.168 -1.017 -3.379 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.292 -0.431 -8.221 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.196 -0.219 -9.655 1.00 1.00 C ATOM 1065 C VAL A 100 -5.599 -0.239 -10.264 1.00 1.00 C ATOM 1066 O VAL A 100 -5.750 -0.326 -11.482 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.260 -1.258 -10.276 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.339 -1.224 -11.804 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.821 -1.054 -9.797 1.00 1.00 C ATOM 0 H VAL A 100 -4.968 -1.141 -7.939 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.763 0.758 -9.868 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.587 -2.244 -9.946 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.664 -1.972 -12.220 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -4.359 -1.440 -12.120 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -3.050 -0.236 -12.161 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.176 -1.805 -10.253 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.479 -0.060 -10.084 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.781 -1.152 -8.712 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.591 -0.157 -9.389 1.00 1.00 N ATOM 1080 CA ALA A 101 -7.977 -0.165 -9.826 1.00 1.00 C ATOM 1081 C ALA A 101 -8.714 1.015 -9.190 1.00 1.00 C ATOM 1082 O ALA A 101 -9.829 0.860 -8.694 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.616 -1.510 -9.474 1.00 1.00 C ATOM 0 H ALA A 101 -6.462 -0.085 -8.380 1.00 1.00 H new ATOM 0 HA ALA A 101 -8.039 -0.048 -10.908 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.656 -1.516 -9.802 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.073 -2.312 -9.974 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.575 -1.661 -8.395 1.00 1.00 H new ATOM 1089 N SER A 102 -8.061 2.168 -9.225 1.00 1.00 N ATOM 1090 CA SER A 102 -8.641 3.373 -8.658 1.00 1.00 C ATOM 1091 C SER A 102 -7.721 4.568 -8.919 1.00 1.00 C ATOM 1092 O SER A 102 -8.193 5.670 -9.195 1.00 1.00 O ATOM 1093 CB SER A 102 -8.889 3.212 -7.157 1.00 1.00 C ATOM 1094 OG SER A 102 -10.279 3.156 -6.849 1.00 1.00 O ATOM 0 H SER A 102 -7.136 2.293 -9.637 1.00 1.00 H new ATOM 0 HA SER A 102 -9.603 3.550 -9.140 1.00 1.00 H new ATOM 0 HB2 SER A 102 -8.403 2.302 -6.805 1.00 1.00 H new ATOM 0 HB3 SER A 102 -8.432 4.045 -6.623 1.00 1.00 H new ATOM 0 HG SER A 102 -10.688 2.399 -7.319 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.426 4.309 -8.823 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.436 5.350 -9.044 1.00 1.00 C ATOM 1102 C PHE A 103 -4.048 4.747 -9.267 1.00 1.00 C ATOM 1103 O PHE A 103 -3.197 4.722 -8.380 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.407 6.216 -7.783 1.00 1.00 C ATOM 1105 CG PHE A 103 -5.799 5.469 -6.507 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.274 4.241 -6.249 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.673 6.033 -5.630 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.639 3.548 -5.064 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.037 5.340 -4.446 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.512 4.112 -4.187 1.00 1.00 C ATOM 0 H PHE A 103 -6.039 3.393 -8.595 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.697 5.930 -9.929 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.405 6.626 -7.659 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -6.082 7.061 -7.919 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.580 3.793 -6.945 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.090 7.008 -5.835 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.223 2.573 -4.859 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -7.731 5.788 -3.750 1.00 1.00 H new ATOM 0 HZ PHE A 103 -6.788 3.585 -3.285 1.00 1.00 H new ATOM 1120 N PRO A 104 -3.835 4.257 -10.491 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.597 3.644 -10.920 1.00 1.00 C ATOM 1122 C PRO A 104 -1.621 4.723 -11.367 1.00 1.00 C ATOM 1123 O PRO A 104 -1.763 5.885 -10.991 1.00 1.00 O ATOM 1124 CB PRO A 104 -2.990 2.744 -12.089 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.190 3.435 -12.674 1.00 1.00 C ATOM 1126 CD PRO A 104 -4.813 4.271 -11.557 1.00 1.00 C ATOM 0 HA PRO A 104 -2.106 3.079 -10.127 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.183 2.655 -12.817 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -3.231 1.735 -11.755 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -3.900 4.067 -13.513 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -4.906 2.707 -13.056 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -5.018 5.288 -11.892 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.762 3.847 -11.228 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.357 2.760 4.211 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.663 5.617 2.783 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.277 1.325 0.945 1.00 1.00 C HETATM 1138 CHC HEC A 201 -1.015 -0.177 5.395 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.114 4.259 7.197 1.00 1.00 C HETATM 1140 NA HEC A 201 0.906 3.328 2.260 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.348 4.589 1.900 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.439 4.698 0.463 1.00 1.00 C HETATM 1143 C3A HEC A 201 1.055 3.509 -0.049 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.723 2.654 1.065 1.00 1.00 C HETATM 1145 CMA HEC A 201 0.974 3.109 -1.494 1.00 1.00 C HETATM 1146 CAA HEC A 201 1.883 5.924 -0.279 1.00 1.00 C HETATM 1147 CBA HEC A 201 3.359 6.264 -0.089 1.00 1.00 C HETATM 1148 CGA HEC A 201 3.526 7.546 0.715 1.00 1.00 C HETATM 1149 O1A HEC A 201 2.679 8.446 0.530 1.00 1.00 O HETATM 1150 O2A HEC A 201 4.499 7.602 1.498 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.248 0.950 3.327 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.192 0.552 2.002 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.694 -0.795 1.863 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.053 -1.214 3.095 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.777 -0.131 4.009 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.781 -1.549 0.568 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.631 -2.543 3.487 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.845 -3.741 2.963 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.257 2.142 5.964 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.855 0.943 6.311 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.338 0.999 7.671 1.00 1.00 C HETATM 1162 C3C HEC A 201 -1.036 2.225 8.149 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.363 2.940 7.090 1.00 1.00 C HETATM 1164 CMC HEC A 201 -2.040 -0.122 8.380 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.325 2.781 9.513 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.906 1.865 10.659 1.00 1.00 C HETATM 1167 ND HEC A 201 0.721 4.582 4.827 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.697 4.973 6.155 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.368 6.241 6.316 1.00 1.00 C HETATM 1170 C3D HEC A 201 1.799 6.621 5.095 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.398 5.591 4.165 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.532 6.966 7.620 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.553 7.865 4.726 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.068 7.729 4.840 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.486 7.440 6.275 1.00 1.00 C HETATM 1176 O1D HEC A 201 4.931 8.400 6.940 1.00 1.00 O HETATM 1177 O2D HEC A 201 4.353 6.265 6.679 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.550 7.189 8.038 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.089 6.340 8.317 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.076 7.896 7.453 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.952 -0.379 7.841 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.385 -0.992 8.422 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.294 0.190 9.393 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.425 -1.008 -0.125 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.215 -1.647 0.136 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.196 -2.540 0.751 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.276 3.765 -2.014 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 1.960 3.193 -1.951 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.627 2.078 -1.567 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.414 6.927 4.189 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.545 8.647 4.497 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.437 0.917 10.580 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.168 1.685 10.607 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -1.148 2.338 11.610 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.819 -3.711 1.874 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.173 -3.706 3.351 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.327 -4.663 3.289 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 3.862 5.443 0.421 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 3.838 6.376 -1.062 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.299 8.141 3.703 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.222 8.682 5.368 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 1.687 5.784 -1.342 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 1.280 6.772 0.047 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.020 4.756 8.163 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.345 -1.127 5.816 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.301 0.870 -0.045 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.149 6.504 2.376 1.00 1.00 H new HETATM 0 H2D HEC A 201 5.113 6.027 7.250 1.00 1.00 H new HETATM 0 H2A HEC A 201 4.503 8.470 1.953 1.00 1.00 H new