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 Set 1.1: A 50 LYS NZ :NH3+ -143:sc= -0.229 (180deg=-1.25!) USER MOD Set 1.2: A 60 ASN :FLIP amide:sc= -0.183 F(o=-1.8,f=-0.41) USER MOD Single : A 33 THR OG1 : rot 72:sc= 0.897 USER MOD Single : A 34 HIS : no HD1:sc= -0.362 X(o=-0.36,f=0.078) USER MOD Single : A 41 GLN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.0301 K(o=-0.03,f=-3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -2.03 F(o=-3.5!,f=-2) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 64 THR OG1 : rot 156:sc= -0.927 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0847 X(o=-0.085,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -153:sc= -0.458 (180deg=-2.02!) 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 96:sc= 1.47 USER MOD Single : A 201 HEC O2A : rot -130:sc= -0.45 USER MOD Single : A 201 HEC O2D : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -11.374 -7.651 -7.033 1.00 1.00 N ATOM 2 CA ALA A 25 -11.898 -8.450 -5.938 1.00 1.00 C ATOM 3 C ALA A 25 -10.829 -9.444 -5.481 1.00 1.00 C ATOM 4 O ALA A 25 -10.134 -10.036 -6.304 1.00 1.00 O ATOM 5 CB ALA A 25 -13.187 -9.143 -6.384 1.00 1.00 C ATOM 0 HA ALA A 25 -12.146 -7.818 -5.085 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -13.581 -9.743 -5.563 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -13.923 -8.392 -6.671 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -12.977 -9.789 -7.237 1.00 1.00 H new ATOM 11 N GLY A 26 -10.731 -9.596 -4.168 1.00 1.00 N ATOM 12 CA GLY A 26 -9.759 -10.508 -3.591 1.00 1.00 C ATOM 13 C GLY A 26 -8.677 -9.744 -2.825 1.00 1.00 C ATOM 14 O GLY A 26 -8.659 -9.753 -1.595 1.00 1.00 O ATOM 0 H GLY A 26 -11.309 -9.103 -3.488 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -10.262 -11.204 -2.920 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.299 -11.102 -4.381 1.00 1.00 H new ATOM 18 N GLY A 27 -7.802 -9.100 -3.583 1.00 1.00 N ATOM 19 CA GLY A 27 -6.720 -8.332 -2.991 1.00 1.00 C ATOM 20 C GLY A 27 -7.265 -7.214 -2.100 1.00 1.00 C ATOM 21 O GLY A 27 -6.591 -6.771 -1.172 1.00 1.00 O ATOM 0 H GLY A 27 -7.820 -9.094 -4.603 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -6.081 -8.991 -2.404 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -6.099 -7.904 -3.779 1.00 1.00 H new ATOM 25 N GLY A 28 -8.481 -6.791 -2.414 1.00 1.00 N ATOM 26 CA GLY A 28 -9.124 -5.733 -1.654 1.00 1.00 C ATOM 27 C GLY A 28 -9.486 -6.211 -0.246 1.00 1.00 C ATOM 28 O GLY A 28 -9.241 -5.509 0.734 1.00 1.00 O ATOM 0 H GLY A 28 -9.037 -7.162 -3.184 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.460 -4.871 -1.590 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -10.024 -5.403 -2.173 1.00 1.00 H new ATOM 32 N GLU A 29 -10.064 -7.402 -0.191 1.00 1.00 N ATOM 33 CA GLU A 29 -10.462 -7.982 1.080 1.00 1.00 C ATOM 34 C GLU A 29 -9.284 -7.981 2.056 1.00 1.00 C ATOM 35 O GLU A 29 -9.479 -7.950 3.270 1.00 1.00 O ATOM 36 CB GLU A 29 -11.014 -9.396 0.888 1.00 1.00 C ATOM 37 CG GLU A 29 -11.513 -9.975 2.214 1.00 1.00 C ATOM 38 CD GLU A 29 -12.965 -9.572 2.476 1.00 1.00 C ATOM 39 OE1 GLU A 29 -13.883 -10.114 1.843 1.00 1.00 O ATOM 40 OE2 GLU A 29 -13.125 -8.661 3.375 1.00 1.00 O ATOM 0 H GLU A 29 -10.266 -7.981 -1.006 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.259 -7.370 1.503 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.830 -9.377 0.166 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.238 -10.040 0.475 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -11.431 -11.062 2.194 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -10.881 -9.623 3.029 1.00 1.00 H new ATOM 48 N LEU A 30 -8.087 -8.016 1.489 1.00 1.00 N ATOM 49 CA LEU A 30 -6.877 -8.019 2.294 1.00 1.00 C ATOM 50 C LEU A 30 -6.533 -6.583 2.696 1.00 1.00 C ATOM 51 O LEU A 30 -6.147 -6.330 3.836 1.00 1.00 O ATOM 52 CB LEU A 30 -5.746 -8.740 1.558 1.00 1.00 C ATOM 53 CG LEU A 30 -6.044 -10.170 1.106 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.772 -10.868 0.621 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.744 -10.961 2.213 1.00 1.00 C ATOM 0 H LEU A 30 -7.929 -8.043 0.482 1.00 1.00 H new ATOM 0 HA LEU A 30 -7.034 -8.579 3.216 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.477 -8.152 0.681 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.871 -8.761 2.208 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.730 -10.124 0.260 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -5.012 -11.883 0.305 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.352 -10.316 -0.220 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -4.044 -10.903 1.432 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.944 -11.974 1.865 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -6.103 -11.000 3.094 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.684 -10.473 2.470 1.00 1.00 H new ATOM 67 N PHE A 31 -6.687 -5.682 1.738 1.00 1.00 N ATOM 68 CA PHE A 31 -6.397 -4.278 1.978 1.00 1.00 C ATOM 69 C PHE A 31 -7.483 -3.634 2.841 1.00 1.00 C ATOM 70 O PHE A 31 -7.277 -2.561 3.406 1.00 1.00 O ATOM 71 CB PHE A 31 -6.371 -3.587 0.613 1.00 1.00 C ATOM 72 CG PHE A 31 -6.403 -2.059 0.688 1.00 1.00 C ATOM 73 CD1 PHE A 31 -5.301 -1.339 0.350 1.00 1.00 C ATOM 74 CD2 PHE A 31 -7.534 -1.422 1.093 1.00 1.00 C ATOM 75 CE1 PHE A 31 -5.331 0.079 0.419 1.00 1.00 C ATOM 76 CE2 PHE A 31 -7.564 -0.004 1.163 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.462 0.717 0.825 1.00 1.00 C ATOM 0 H PHE A 31 -7.009 -5.896 0.794 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.447 -4.179 2.503 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.473 -3.895 0.078 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.224 -3.930 0.027 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -4.403 -1.845 0.029 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -8.410 -1.995 1.361 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -4.456 0.651 0.149 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -8.462 0.502 1.485 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.484 1.795 0.879 1.00 1.00 H new ATOM 87 N ALA A 32 -8.616 -4.316 2.917 1.00 1.00 N ATOM 88 CA ALA A 32 -9.735 -3.824 3.702 1.00 1.00 C ATOM 89 C ALA A 32 -9.723 -4.496 5.077 1.00 1.00 C ATOM 90 O ALA A 32 -10.767 -4.912 5.577 1.00 1.00 O ATOM 91 CB ALA A 32 -11.040 -4.072 2.944 1.00 1.00 C ATOM 0 H ALA A 32 -8.783 -5.206 2.447 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.649 -2.749 3.859 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.879 -3.703 3.534 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -11.010 -3.549 1.988 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.162 -5.141 2.770 1.00 1.00 H new ATOM 97 N THR A 33 -8.530 -4.582 5.648 1.00 1.00 N ATOM 98 CA THR A 33 -8.369 -5.196 6.954 1.00 1.00 C ATOM 99 C THR A 33 -6.936 -5.011 7.457 1.00 1.00 C ATOM 100 O THR A 33 -6.716 -4.782 8.646 1.00 1.00 O ATOM 101 CB THR A 33 -8.788 -6.663 6.842 1.00 1.00 C ATOM 102 OG1 THR A 33 -10.188 -6.646 7.106 1.00 1.00 O ATOM 103 CG2 THR A 33 -8.207 -7.526 7.964 1.00 1.00 C ATOM 0 H THR A 33 -7.666 -4.237 5.230 1.00 1.00 H new ATOM 0 HA THR A 33 -9.006 -4.717 7.697 1.00 1.00 H new ATOM 0 HB THR A 33 -8.468 -7.059 5.878 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.660 -6.249 6.344 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.535 -8.558 7.837 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.118 -7.485 7.928 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.553 -7.151 8.927 1.00 1.00 H new ATOM 111 N HIS A 34 -5.998 -5.116 6.527 1.00 1.00 N ATOM 112 CA HIS A 34 -4.592 -4.963 6.861 1.00 1.00 C ATOM 113 C HIS A 34 -4.111 -3.576 6.431 1.00 1.00 C ATOM 114 O HIS A 34 -2.967 -3.204 6.690 1.00 1.00 O ATOM 115 CB HIS A 34 -3.762 -6.094 6.251 1.00 1.00 C ATOM 116 CG HIS A 34 -4.276 -7.477 6.575 1.00 1.00 C ATOM 117 ND1 HIS A 34 -4.012 -8.113 7.775 1.00 1.00 N ATOM 118 CD2 HIS A 34 -5.041 -8.337 5.843 1.00 1.00 C ATOM 119 CE1 HIS A 34 -4.596 -9.302 7.755 1.00 1.00 C ATOM 120 NE2 HIS A 34 -5.233 -9.439 6.557 1.00 1.00 N ATOM 0 H HIS A 34 -6.184 -5.305 5.542 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.461 -5.037 7.941 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.739 -5.971 5.168 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.734 -6.008 6.604 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -5.425 -8.152 4.851 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -4.572 -10.034 8.548 1.00 1.00 H new ATOM 0 HE2 HIS A 34 -5.769 -10.254 6.259 1.00 1.00 H new ATOM 128 N CYS A 35 -5.008 -2.849 5.782 1.00 1.00 N ATOM 129 CA CYS A 35 -4.689 -1.510 5.313 1.00 1.00 C ATOM 130 C CYS A 35 -5.848 -0.583 5.683 1.00 1.00 C ATOM 131 O CYS A 35 -5.633 0.504 6.217 1.00 1.00 O ATOM 132 CB CYS A 35 -4.399 -1.491 3.811 1.00 1.00 C ATOM 133 SG CYS A 35 -3.387 -2.891 3.207 1.00 1.00 S ATOM 0 H CYS A 35 -5.956 -3.161 5.569 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.777 -1.160 5.796 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.347 -1.487 3.272 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.889 -0.560 3.565 1.00 1.00 H new ATOM 138 N ALA A 36 -7.053 -1.047 5.385 1.00 1.00 N ATOM 139 CA ALA A 36 -8.247 -0.272 5.679 1.00 1.00 C ATOM 140 C ALA A 36 -8.076 0.428 7.029 1.00 1.00 C ATOM 141 O ALA A 36 -8.601 1.520 7.236 1.00 1.00 O ATOM 142 CB ALA A 36 -9.471 -1.190 5.649 1.00 1.00 C ATOM 0 H ALA A 36 -7.228 -1.949 4.943 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.399 0.500 4.925 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.367 -0.609 5.869 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.564 -1.640 4.661 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.355 -1.976 6.396 1.00 1.00 H new ATOM 148 N GLY A 37 -7.338 -0.230 7.911 1.00 1.00 N ATOM 149 CA GLY A 37 -7.091 0.315 9.235 1.00 1.00 C ATOM 150 C GLY A 37 -5.935 1.317 9.208 1.00 1.00 C ATOM 151 O GLY A 37 -5.046 1.267 10.057 1.00 1.00 O ATOM 0 H GLY A 37 -6.903 -1.136 7.735 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -7.992 0.804 9.605 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -6.860 -0.494 9.928 1.00 1.00 H new ATOM 155 N CYS A 38 -5.984 2.203 8.224 1.00 1.00 N ATOM 156 CA CYS A 38 -4.951 3.214 8.075 1.00 1.00 C ATOM 157 C CYS A 38 -5.132 3.889 6.715 1.00 1.00 C ATOM 158 O CYS A 38 -4.831 5.072 6.559 1.00 1.00 O ATOM 159 CB CYS A 38 -3.550 2.620 8.236 1.00 1.00 C ATOM 160 SG CYS A 38 -2.816 3.169 9.820 1.00 1.00 S ATOM 0 H CYS A 38 -6.723 2.242 7.522 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.051 3.958 8.865 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.602 1.532 8.208 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -2.917 2.931 7.405 1.00 1.00 H new ATOM 165 N HIS A 39 -5.624 3.109 5.763 1.00 1.00 N ATOM 166 CA HIS A 39 -5.849 3.617 4.421 1.00 1.00 C ATOM 167 C HIS A 39 -7.342 3.554 4.091 1.00 1.00 C ATOM 168 O HIS A 39 -7.775 2.894 3.150 1.00 1.00 O ATOM 169 CB HIS A 39 -4.985 2.866 3.405 1.00 1.00 C ATOM 170 CG HIS A 39 -3.519 3.223 3.462 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.048 4.500 3.211 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.427 2.457 3.746 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.729 4.491 3.340 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.346 3.225 3.670 1.00 1.00 N ATOM 0 H HIS A 39 -5.873 2.129 5.895 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.545 4.662 4.368 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.094 1.794 3.572 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.360 3.072 2.402 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.619 5.310 2.968 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.439 1.405 3.991 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.073 5.338 3.207 1.00 1.00 H new ATOM 182 N PRO A 40 -8.128 4.266 4.902 1.00 1.00 N ATOM 183 CA PRO A 40 -9.567 4.351 4.774 1.00 1.00 C ATOM 184 C PRO A 40 -9.923 5.245 3.595 1.00 1.00 C ATOM 185 O PRO A 40 -9.400 6.355 3.512 1.00 1.00 O ATOM 186 CB PRO A 40 -10.042 4.965 6.089 1.00 1.00 C ATOM 187 CG PRO A 40 -8.827 5.953 6.395 1.00 1.00 C ATOM 188 CD PRO A 40 -7.652 5.053 6.018 1.00 1.00 C ATOM 0 HA PRO A 40 -10.034 3.383 4.592 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -10.990 5.492 5.983 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.178 4.218 6.871 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -8.866 6.861 5.793 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -8.796 6.264 7.439 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.777 5.641 5.742 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.358 4.417 6.853 1.00 1.00 H new ATOM 196 N GLN A 41 -10.789 4.756 2.718 1.00 1.00 N ATOM 197 CA GLN A 41 -11.194 5.529 1.556 1.00 1.00 C ATOM 198 C GLN A 41 -9.970 6.138 0.871 1.00 1.00 C ATOM 199 O GLN A 41 -9.956 7.329 0.562 1.00 1.00 O ATOM 200 CB GLN A 41 -12.203 6.612 1.943 1.00 1.00 C ATOM 201 CG GLN A 41 -13.372 6.649 0.957 1.00 1.00 C ATOM 202 CD GLN A 41 -14.554 7.429 1.537 1.00 1.00 C ATOM 203 OE1 GLN A 41 -14.465 8.606 1.843 1.00 1.00 O ATOM 204 NE2 GLN A 41 -15.664 6.707 1.671 1.00 1.00 N ATOM 0 H GLN A 41 -11.221 3.835 2.789 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.684 4.859 0.850 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.577 6.423 2.949 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -11.709 7.584 1.964 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -13.050 7.110 0.023 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -13.684 5.632 0.719 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -15.670 5.725 1.395 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -16.509 7.136 2.050 1.00 1.00 H new ATOM 213 N GLY A 42 -8.972 5.295 0.653 1.00 1.00 N ATOM 214 CA GLY A 42 -7.746 5.736 0.010 1.00 1.00 C ATOM 215 C GLY A 42 -7.139 6.932 0.747 1.00 1.00 C ATOM 216 O GLY A 42 -6.306 7.648 0.195 1.00 1.00 O ATOM 0 H GLY A 42 -8.987 4.308 0.910 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.028 4.916 -0.013 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.952 6.009 -1.025 1.00 1.00 H new ATOM 220 N GLY A 43 -7.581 7.110 1.983 1.00 1.00 N ATOM 221 CA GLY A 43 -7.093 8.207 2.802 1.00 1.00 C ATOM 222 C GLY A 43 -6.006 7.729 3.767 1.00 1.00 C ATOM 223 O GLY A 43 -5.404 6.677 3.558 1.00 1.00 O ATOM 0 H GLY A 43 -8.272 6.513 2.438 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.695 8.995 2.162 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -7.919 8.641 3.365 1.00 1.00 H new ATOM 227 N ASN A 44 -5.787 8.526 4.803 1.00 1.00 N ATOM 228 CA ASN A 44 -4.784 8.197 5.801 1.00 1.00 C ATOM 229 C ASN A 44 -5.148 8.870 7.125 1.00 1.00 C ATOM 230 O ASN A 44 -5.680 9.979 7.137 1.00 1.00 O ATOM 231 CB ASN A 44 -3.402 8.702 5.379 1.00 1.00 C ATOM 232 CG ASN A 44 -2.452 7.534 5.104 1.00 1.00 C ATOM 233 OD1 ASN A 44 -2.648 6.420 5.560 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.414 7.851 4.335 1.00 1.00 N ATOM 0 H ASN A 44 -6.287 9.399 4.972 1.00 1.00 H new ATOM 0 HA ASN A 44 -4.756 7.112 5.906 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.494 9.319 4.485 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -2.987 9.336 6.163 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -0.722 7.141 4.094 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.310 8.804 3.986 1.00 1.00 H new ATOM 241 N THR A 45 -4.848 8.170 8.210 1.00 1.00 N ATOM 242 CA THR A 45 -5.138 8.686 9.537 1.00 1.00 C ATOM 243 C THR A 45 -3.846 9.109 10.239 1.00 1.00 C ATOM 244 O THR A 45 -3.877 9.572 11.378 1.00 1.00 O ATOM 245 CB THR A 45 -5.921 7.615 10.300 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.145 6.432 10.131 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.258 7.282 9.634 1.00 1.00 C ATOM 0 H THR A 45 -4.407 7.250 8.197 1.00 1.00 H new ATOM 0 HA THR A 45 -5.753 9.585 9.486 1.00 1.00 H new ATOM 0 HB THR A 45 -6.098 7.953 11.321 1.00 1.00 H new ATOM 0 HG1 THR A 45 -5.579 5.687 10.596 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.773 6.517 10.215 1.00 1.00 H new ATOM 0 HG22 THR A 45 -7.875 8.179 9.587 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.079 6.912 8.624 1.00 1.00 H new ATOM 255 N VAL A 46 -2.741 8.936 9.529 1.00 1.00 N ATOM 256 CA VAL A 46 -1.441 9.295 10.069 1.00 1.00 C ATOM 257 C VAL A 46 -0.906 10.522 9.328 1.00 1.00 C ATOM 258 O VAL A 46 -0.592 11.537 9.947 1.00 1.00 O ATOM 259 CB VAL A 46 -0.495 8.094 9.997 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.894 8.458 10.526 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.073 6.895 10.752 1.00 1.00 C ATOM 0 H VAL A 46 -2.719 8.552 8.584 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.526 9.563 11.122 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.391 7.811 8.949 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.547 7.587 10.464 1.00 1.00 H new ATOM 0 HG12 VAL A 46 1.311 9.268 9.927 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.815 8.779 11.565 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.381 6.055 10.685 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.221 7.161 11.799 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.029 6.614 10.311 1.00 1.00 H new ATOM 271 N HIS A 47 -0.818 10.388 8.013 1.00 1.00 N ATOM 272 CA HIS A 47 -0.327 11.473 7.181 1.00 1.00 C ATOM 273 C HIS A 47 -1.436 11.938 6.235 1.00 1.00 C ATOM 274 O HIS A 47 -1.859 11.227 5.326 1.00 1.00 O ATOM 275 CB HIS A 47 0.947 11.058 6.442 1.00 1.00 C ATOM 276 CG HIS A 47 2.133 10.825 7.347 1.00 1.00 C ATOM 277 ND1 HIS A 47 2.270 10.981 8.695 1.00 1.00 N flip ATOM 278 CD2 HIS A 47 3.358 10.381 6.878 1.00 1.00 C flip ATOM 279 CE1 HIS A 47 3.510 10.648 9.031 1.00 1.00 C flip ATOM 280 NE2 HIS A 47 4.186 10.277 7.906 1.00 1.00 N flip ATOM 0 H HIS A 47 -1.079 9.544 7.503 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.054 12.321 7.809 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.748 10.146 5.879 1.00 1.00 H new ATOM 0 HB3 HIS A 47 1.202 11.831 5.717 1.00 1.00 H new ATOM 0 HD2 HIS A 47 3.597 10.158 5.849 1.00 1.00 H new ATOM 0 HE1 HIS A 47 3.917 10.668 10.031 1.00 1.00 H new ATOM 0 HE2 HIS A 47 5.159 9.973 7.864 1.00 1.00 H new ATOM 288 N PRO A 48 -1.904 13.165 6.475 1.00 1.00 N ATOM 289 CA PRO A 48 -2.950 13.804 5.705 1.00 1.00 C ATOM 290 C PRO A 48 -2.345 14.477 4.482 1.00 1.00 C ATOM 291 O PRO A 48 -3.018 15.300 3.862 1.00 1.00 O ATOM 292 CB PRO A 48 -3.559 14.835 6.652 1.00 1.00 C ATOM 293 CG PRO A 48 -2.328 15.262 7.470 1.00 1.00 C ATOM 294 CD PRO A 48 -1.431 14.028 7.535 1.00 1.00 C ATOM 0 HA PRO A 48 -3.700 13.101 5.343 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.006 15.672 6.115 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.340 14.405 7.279 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -1.812 16.097 6.996 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -2.616 15.591 8.469 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.384 14.293 7.390 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -1.504 13.537 8.506 1.00 1.00 H new ATOM 302 N GLU A 49 -1.108 14.125 4.161 1.00 1.00 N ATOM 303 CA GLU A 49 -0.438 14.710 3.012 1.00 1.00 C ATOM 304 C GLU A 49 0.155 13.611 2.128 1.00 1.00 C ATOM 305 O GLU A 49 0.818 13.900 1.133 1.00 1.00 O ATOM 306 CB GLU A 49 0.641 15.701 3.453 1.00 1.00 C ATOM 307 CG GLU A 49 1.717 15.005 4.289 1.00 1.00 C ATOM 308 CD GLU A 49 3.058 15.733 4.173 1.00 1.00 C ATOM 309 OE1 GLU A 49 3.563 15.927 3.057 1.00 1.00 O ATOM 310 OE2 GLU A 49 3.576 16.103 5.295 1.00 1.00 O ATOM 0 H GLU A 49 -0.553 13.442 4.677 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.174 15.262 2.428 1.00 1.00 H new ATOM 0 HB2 GLU A 49 1.097 16.161 2.576 1.00 1.00 H new ATOM 0 HB3 GLU A 49 0.187 16.504 4.034 1.00 1.00 H new ATOM 0 HG2 GLU A 49 1.406 14.972 5.333 1.00 1.00 H new ATOM 0 HG3 GLU A 49 1.830 13.973 3.957 1.00 1.00 H new ATOM 318 N LYS A 50 -0.104 12.373 2.522 1.00 1.00 N ATOM 319 CA LYS A 50 0.395 11.230 1.778 1.00 1.00 C ATOM 320 C LYS A 50 -0.754 10.254 1.517 1.00 1.00 C ATOM 321 O LYS A 50 -1.010 9.362 2.324 1.00 1.00 O ATOM 322 CB LYS A 50 1.586 10.598 2.502 1.00 1.00 C ATOM 323 CG LYS A 50 2.534 11.672 3.040 1.00 1.00 C ATOM 324 CD LYS A 50 3.993 11.300 2.773 1.00 1.00 C ATOM 325 CE LYS A 50 4.710 12.408 1.999 1.00 1.00 C ATOM 326 NZ LYS A 50 3.940 12.776 0.789 1.00 1.00 N ATOM 0 H LYS A 50 -0.654 12.137 3.348 1.00 1.00 H new ATOM 0 HA LYS A 50 0.773 11.545 0.805 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.229 9.978 3.324 1.00 1.00 H new ATOM 0 HB3 LYS A 50 2.125 9.942 1.819 1.00 1.00 H new ATOM 0 HG2 LYS A 50 2.308 12.630 2.571 1.00 1.00 H new ATOM 0 HG3 LYS A 50 2.377 11.797 4.111 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.505 11.122 3.719 1.00 1.00 H new ATOM 0 HD3 LYS A 50 4.037 10.370 2.207 1.00 1.00 H new ATOM 0 HE2 LYS A 50 4.836 13.283 2.637 1.00 1.00 H new ATOM 0 HE3 LYS A 50 5.708 12.074 1.715 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 4.597 12.988 0.011 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 3.323 11.984 0.516 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 3.358 13.615 0.989 1.00 1.00 H new ATOM 339 N THR A 51 -1.416 10.458 0.388 1.00 1.00 N ATOM 340 CA THR A 51 -2.532 9.607 0.011 1.00 1.00 C ATOM 341 C THR A 51 -2.093 8.585 -1.039 1.00 1.00 C ATOM 342 O THR A 51 -0.910 8.495 -1.367 1.00 1.00 O ATOM 343 CB THR A 51 -3.675 10.508 -0.460 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.180 11.101 -1.657 1.00 1.00 O ATOM 345 CG2 THR A 51 -3.907 11.697 0.476 1.00 1.00 C ATOM 0 H THR A 51 -1.201 11.200 -0.278 1.00 1.00 H new ATOM 0 HA THR A 51 -2.887 9.022 0.859 1.00 1.00 H new ATOM 0 HB THR A 51 -4.591 9.922 -0.537 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.860 11.700 -2.031 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.729 12.304 0.096 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.156 11.332 1.473 1.00 1.00 H new ATOM 0 HG23 THR A 51 -3.002 12.302 0.527 1.00 1.00 H new ATOM 353 N LEU A 52 -3.068 7.839 -1.537 1.00 1.00 N ATOM 354 CA LEU A 52 -2.797 6.827 -2.543 1.00 1.00 C ATOM 355 C LEU A 52 -2.991 7.432 -3.935 1.00 1.00 C ATOM 356 O LEU A 52 -3.096 6.706 -4.923 1.00 1.00 O ATOM 357 CB LEU A 52 -3.647 5.580 -2.292 1.00 1.00 C ATOM 358 CG LEU A 52 -3.374 4.835 -0.983 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.303 3.628 -0.835 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.900 4.441 -0.874 1.00 1.00 C ATOM 0 H LEU A 52 -4.047 7.915 -1.262 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.760 6.496 -2.480 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.697 5.871 -2.309 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.494 4.888 -3.120 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.589 5.510 -0.154 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -4.088 3.116 0.103 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.340 3.965 -0.836 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -4.144 2.942 -1.667 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.733 3.913 0.065 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.634 3.791 -1.708 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.281 5.338 -0.901 1.00 1.00 H new ATOM 372 N ALA A 53 -3.032 8.756 -3.969 1.00 1.00 N ATOM 373 CA ALA A 53 -3.211 9.467 -5.223 1.00 1.00 C ATOM 374 C ALA A 53 -1.874 9.529 -5.965 1.00 1.00 C ATOM 375 O ALA A 53 -0.852 9.888 -5.381 1.00 1.00 O ATOM 376 CB ALA A 53 -3.788 10.857 -4.945 1.00 1.00 C ATOM 0 H ALA A 53 -2.944 9.355 -3.148 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.920 8.942 -5.863 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.922 11.390 -5.886 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.751 10.758 -4.444 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -3.103 11.415 -4.307 1.00 1.00 H new ATOM 382 N ARG A 54 -1.924 9.174 -7.240 1.00 1.00 N ATOM 383 CA ARG A 54 -0.730 9.185 -8.068 1.00 1.00 C ATOM 384 C ARG A 54 -0.007 10.528 -7.940 1.00 1.00 C ATOM 385 O ARG A 54 1.187 10.569 -7.647 1.00 1.00 O ATOM 386 CB ARG A 54 -1.076 8.938 -9.538 1.00 1.00 C ATOM 387 CG ARG A 54 0.191 8.848 -10.391 1.00 1.00 C ATOM 388 CD ARG A 54 -0.026 9.490 -11.763 1.00 1.00 C ATOM 389 NE ARG A 54 0.566 8.638 -12.819 1.00 1.00 N ATOM 390 CZ ARG A 54 0.989 9.099 -14.015 1.00 1.00 C ATOM 391 NH1 ARG A 54 1.502 8.249 -14.884 1.00 1.00 N ATOM 392 NH2 ARG A 54 0.889 10.411 -14.318 1.00 1.00 N ATOM 0 H ARG A 54 -2.773 8.877 -7.720 1.00 1.00 H new ATOM 0 HA ARG A 54 -0.079 8.383 -7.720 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.648 8.015 -9.631 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.711 9.744 -9.907 1.00 1.00 H new ATOM 0 HG2 ARG A 54 1.015 9.345 -9.879 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.477 7.804 -10.515 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -1.092 9.624 -11.947 1.00 1.00 H new ATOM 0 HD3 ARG A 54 0.428 10.481 -11.786 1.00 1.00 H new ATOM 0 HE ARG A 54 0.660 7.640 -12.631 1.00 1.00 H new ATOM 0 HH11 ARG A 54 1.574 7.259 -14.648 1.00 1.00 H new ATOM 0 HH12 ARG A 54 1.826 8.581 -15.792 1.00 1.00 H new ATOM 0 HH21 ARG A 54 0.491 11.062 -13.641 1.00 1.00 H new ATOM 0 HH22 ARG A 54 1.211 10.751 -15.224 1.00 1.00 H new ATOM 402 N ALA A 55 -0.762 11.593 -8.165 1.00 1.00 N ATOM 403 CA ALA A 55 -0.209 12.934 -8.078 1.00 1.00 C ATOM 404 C ALA A 55 0.742 13.012 -6.882 1.00 1.00 C ATOM 405 O ALA A 55 1.747 13.719 -6.928 1.00 1.00 O ATOM 406 CB ALA A 55 -1.348 13.951 -7.985 1.00 1.00 C ATOM 0 H ALA A 55 -1.752 11.555 -8.407 1.00 1.00 H new ATOM 0 HA ALA A 55 0.367 13.171 -8.973 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.933 14.957 -7.920 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.977 13.875 -8.872 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.946 13.747 -7.097 1.00 1.00 H new ATOM 412 N ARG A 56 0.390 12.276 -5.838 1.00 1.00 N ATOM 413 CA ARG A 56 1.199 12.254 -4.631 1.00 1.00 C ATOM 414 C ARG A 56 2.156 11.060 -4.656 1.00 1.00 C ATOM 415 O ARG A 56 3.351 11.213 -4.408 1.00 1.00 O ATOM 416 CB ARG A 56 0.321 12.169 -3.381 1.00 1.00 C ATOM 417 CG ARG A 56 -0.126 13.561 -2.929 1.00 1.00 C ATOM 418 CD ARG A 56 0.915 14.199 -2.007 1.00 1.00 C ATOM 419 NE ARG A 56 0.398 15.477 -1.468 1.00 1.00 N ATOM 420 CZ ARG A 56 -0.626 15.570 -0.593 1.00 1.00 C ATOM 421 NH1 ARG A 56 -1.005 16.764 -0.176 1.00 1.00 N ATOM 422 NH2 ARG A 56 -1.252 14.459 -0.150 1.00 1.00 N ATOM 0 H ARG A 56 -0.444 11.690 -5.803 1.00 1.00 H new ATOM 0 HA ARG A 56 1.770 13.182 -4.597 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -0.553 11.552 -3.588 1.00 1.00 H new ATOM 0 HB3 ARG A 56 0.873 11.681 -2.577 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -0.284 14.197 -3.800 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -1.082 13.489 -2.410 1.00 1.00 H new ATOM 0 HD2 ARG A 56 1.153 13.520 -1.189 1.00 1.00 H new ATOM 0 HD3 ARG A 56 1.840 14.374 -2.556 1.00 1.00 H new ATOM 0 HE ARG A 56 0.843 16.341 -1.777 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -0.526 17.598 -0.515 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -1.777 16.852 0.485 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -0.952 13.540 -0.476 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -2.025 14.538 0.511 1.00 1.00 H new ATOM 432 N ARG A 57 1.594 9.899 -4.957 1.00 1.00 N ATOM 433 CA ARG A 57 2.382 8.679 -5.018 1.00 1.00 C ATOM 434 C ARG A 57 3.515 8.830 -6.036 1.00 1.00 C ATOM 435 O ARG A 57 4.455 8.037 -6.045 1.00 1.00 O ATOM 436 CB ARG A 57 1.514 7.481 -5.404 1.00 1.00 C ATOM 437 CG ARG A 57 1.110 6.675 -4.167 1.00 1.00 C ATOM 438 CD ARG A 57 1.204 5.172 -4.438 1.00 1.00 C ATOM 439 NE ARG A 57 0.075 4.740 -5.291 1.00 1.00 N ATOM 440 CZ ARG A 57 0.062 3.594 -6.005 1.00 1.00 C ATOM 441 NH1 ARG A 57 -1.000 3.306 -6.734 1.00 1.00 N ATOM 442 NH2 ARG A 57 1.118 2.754 -5.973 1.00 1.00 N ATOM 0 H ARG A 57 0.602 9.777 -5.161 1.00 1.00 H new ATOM 0 HA ARG A 57 2.800 8.504 -4.027 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.621 7.827 -5.925 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.059 6.841 -6.098 1.00 1.00 H new ATOM 0 HG2 ARG A 57 1.756 6.938 -3.330 1.00 1.00 H new ATOM 0 HG3 ARG A 57 0.091 6.933 -3.877 1.00 1.00 H new ATOM 0 HD2 ARG A 57 2.150 4.941 -4.928 1.00 1.00 H new ATOM 0 HD3 ARG A 57 1.190 4.623 -3.497 1.00 1.00 H new ATOM 0 HE ARG A 57 -0.744 5.345 -5.343 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -1.795 3.945 -6.752 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -1.026 2.444 -7.279 1.00 1.00 H new ATOM 0 HH21 ARG A 57 1.935 2.983 -5.406 1.00 1.00 H new ATOM 0 HH22 ARG A 57 1.099 1.890 -6.516 1.00 1.00 H new ATOM 452 N GLU A 58 3.387 9.852 -6.869 1.00 1.00 N ATOM 453 CA GLU A 58 4.388 10.116 -7.889 1.00 1.00 C ATOM 454 C GLU A 58 5.564 10.890 -7.291 1.00 1.00 C ATOM 455 O GLU A 58 6.720 10.522 -7.491 1.00 1.00 O ATOM 456 CB GLU A 58 3.779 10.872 -9.072 1.00 1.00 C ATOM 457 CG GLU A 58 3.920 12.384 -8.887 1.00 1.00 C ATOM 458 CD GLU A 58 3.392 13.137 -10.111 1.00 1.00 C ATOM 459 OE1 GLU A 58 2.215 13.526 -10.139 1.00 1.00 O ATOM 460 OE2 GLU A 58 4.253 13.315 -11.054 1.00 1.00 O ATOM 0 H GLU A 58 2.605 10.507 -6.859 1.00 1.00 H new ATOM 0 HA GLU A 58 4.759 9.161 -8.262 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.272 10.567 -9.995 1.00 1.00 H new ATOM 0 HB3 GLU A 58 2.725 10.611 -9.172 1.00 1.00 H new ATOM 0 HG2 GLU A 58 3.373 12.698 -7.998 1.00 1.00 H new ATOM 0 HG3 GLU A 58 4.967 12.638 -8.723 1.00 1.00 H new ATOM 468 N ALA A 59 5.228 11.949 -6.568 1.00 1.00 N ATOM 469 CA ALA A 59 6.242 12.778 -5.939 1.00 1.00 C ATOM 470 C ALA A 59 7.244 11.884 -5.206 1.00 1.00 C ATOM 471 O ALA A 59 8.453 12.084 -5.311 1.00 1.00 O ATOM 472 CB ALA A 59 5.570 13.788 -5.007 1.00 1.00 C ATOM 0 H ALA A 59 4.268 12.252 -6.404 1.00 1.00 H new ATOM 0 HA ALA A 59 6.794 13.344 -6.689 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.331 14.410 -4.535 1.00 1.00 H new ATOM 0 HB2 ALA A 59 4.892 14.418 -5.582 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.008 13.257 -4.239 1.00 1.00 H new ATOM 478 N ASN A 60 6.703 10.916 -4.480 1.00 1.00 N ATOM 479 CA ASN A 60 7.534 9.990 -3.730 1.00 1.00 C ATOM 480 C ASN A 60 8.091 8.927 -4.679 1.00 1.00 C ATOM 481 O ASN A 60 9.184 8.406 -4.460 1.00 1.00 O ATOM 482 CB ASN A 60 6.724 9.278 -2.645 1.00 1.00 C ATOM 483 CG ASN A 60 5.837 10.266 -1.885 1.00 1.00 C ATOM 484 OD1 ASN A 60 6.341 11.494 -1.804 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 4.766 9.935 -1.405 1.00 1.00 N flip ATOM 0 H ASN A 60 5.700 10.753 -4.396 1.00 1.00 H new ATOM 0 HA ASN A 60 8.338 10.560 -3.264 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.106 8.503 -3.098 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.400 8.781 -1.949 1.00 1.00 H new ATOM 0 HD21 ASN A 60 4.438 8.974 -1.504 1.00 1.00 H new ATOM 0 HD22 ASN A 60 4.198 10.619 -0.905 1.00 1.00 H new ATOM 492 N GLY A 61 7.315 8.637 -5.713 1.00 1.00 N ATOM 493 CA GLY A 61 7.717 7.646 -6.696 1.00 1.00 C ATOM 494 C GLY A 61 7.219 6.253 -6.305 1.00 1.00 C ATOM 495 O GLY A 61 8.008 5.395 -5.914 1.00 1.00 O ATOM 0 H GLY A 61 6.409 9.071 -5.891 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.320 7.917 -7.674 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.803 7.636 -6.785 1.00 1.00 H new ATOM 499 N ILE A 62 5.911 6.072 -6.425 1.00 1.00 N ATOM 500 CA ILE A 62 5.299 4.798 -6.089 1.00 1.00 C ATOM 501 C ILE A 62 4.235 4.457 -7.135 1.00 1.00 C ATOM 502 O ILE A 62 3.062 4.297 -6.803 1.00 1.00 O ATOM 503 CB ILE A 62 4.766 4.821 -4.655 1.00 1.00 C ATOM 504 CG1 ILE A 62 5.873 5.185 -3.664 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.091 3.495 -4.299 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.470 4.822 -2.234 1.00 1.00 C ATOM 0 H ILE A 62 5.259 6.786 -6.750 1.00 1.00 H new ATOM 0 HA ILE A 62 6.041 4.000 -6.116 1.00 1.00 H new ATOM 0 HB ILE A 62 4.005 5.598 -4.587 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.791 4.662 -3.931 1.00 1.00 H new ATOM 0 HG13 ILE A 62 6.085 6.252 -3.726 1.00 1.00 H new ATOM 0 HG21 ILE A 62 3.721 3.538 -3.275 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.257 3.317 -4.978 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.813 2.683 -4.390 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.275 5.091 -1.550 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.565 5.366 -1.962 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.283 3.750 -2.170 1.00 1.00 H new ATOM 518 N ARG A 63 4.684 4.356 -8.378 1.00 1.00 N ATOM 519 CA ARG A 63 3.786 4.037 -9.474 1.00 1.00 C ATOM 520 C ARG A 63 4.143 2.676 -10.074 1.00 1.00 C ATOM 521 O ARG A 63 4.409 2.571 -11.270 1.00 1.00 O ATOM 522 CB ARG A 63 3.854 5.103 -10.570 1.00 1.00 C ATOM 523 CG ARG A 63 3.960 6.504 -9.965 1.00 1.00 C ATOM 524 CD ARG A 63 5.218 7.221 -10.459 1.00 1.00 C ATOM 525 NE ARG A 63 6.410 6.379 -10.211 1.00 1.00 N ATOM 526 CZ ARG A 63 7.657 6.866 -10.035 1.00 1.00 C ATOM 527 NH1 ARG A 63 8.649 6.023 -9.820 1.00 1.00 N ATOM 528 NH2 ARG A 63 7.886 8.196 -10.080 1.00 1.00 N ATOM 0 H ARG A 63 5.658 4.490 -8.650 1.00 1.00 H new ATOM 0 HA ARG A 63 2.773 4.007 -9.074 1.00 1.00 H new ATOM 0 HB2 ARG A 63 4.714 4.914 -11.213 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.966 5.041 -11.199 1.00 1.00 H new ATOM 0 HG2 ARG A 63 3.077 7.086 -10.230 1.00 1.00 H new ATOM 0 HG3 ARG A 63 3.981 6.434 -8.877 1.00 1.00 H new ATOM 0 HD2 ARG A 63 5.130 7.436 -11.524 1.00 1.00 H new ATOM 0 HD3 ARG A 63 5.326 8.178 -9.948 1.00 1.00 H new ATOM 0 HE ARG A 63 6.281 5.368 -10.171 1.00 1.00 H new ATOM 0 HH11 ARG A 63 8.468 5.020 -9.789 1.00 1.00 H new ATOM 0 HH12 ARG A 63 9.597 6.375 -9.685 1.00 1.00 H new ATOM 0 HH21 ARG A 63 7.114 8.841 -10.248 1.00 1.00 H new ATOM 0 HH22 ARG A 63 8.831 8.556 -9.946 1.00 1.00 H new ATOM 538 N THR A 64 4.137 1.666 -9.215 1.00 1.00 N ATOM 539 CA THR A 64 4.457 0.316 -9.646 1.00 1.00 C ATOM 540 C THR A 64 3.835 -0.708 -8.695 1.00 1.00 C ATOM 541 O THR A 64 3.753 -0.473 -7.491 1.00 1.00 O ATOM 542 CB THR A 64 5.980 0.201 -9.750 1.00 1.00 C ATOM 543 OG1 THR A 64 6.448 0.624 -8.472 1.00 1.00 O ATOM 544 CG2 THR A 64 6.579 1.220 -10.722 1.00 1.00 C ATOM 0 H THR A 64 3.916 1.756 -8.223 1.00 1.00 H new ATOM 0 HA THR A 64 4.033 0.103 -10.627 1.00 1.00 H new ATOM 0 HB THR A 64 6.247 -0.806 -10.070 1.00 1.00 H new ATOM 0 HG1 THR A 64 7.329 0.232 -8.300 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.661 1.095 -10.758 1.00 1.00 H new ATOM 0 HG22 THR A 64 6.162 1.063 -11.717 1.00 1.00 H new ATOM 0 HG23 THR A 64 6.341 2.229 -10.384 1.00 1.00 H new ATOM 552 N VAL A 65 3.411 -1.823 -9.273 1.00 1.00 N ATOM 553 CA VAL A 65 2.798 -2.884 -8.492 1.00 1.00 C ATOM 554 C VAL A 65 3.809 -3.409 -7.470 1.00 1.00 C ATOM 555 O VAL A 65 3.512 -3.482 -6.279 1.00 1.00 O ATOM 556 CB VAL A 65 2.266 -3.977 -9.421 1.00 1.00 C ATOM 557 CG1 VAL A 65 1.987 -5.267 -8.647 1.00 1.00 C ATOM 558 CG2 VAL A 65 1.016 -3.502 -10.165 1.00 1.00 C ATOM 0 H VAL A 65 3.480 -2.014 -10.273 1.00 1.00 H new ATOM 0 HA VAL A 65 1.942 -2.503 -7.936 1.00 1.00 H new ATOM 0 HB VAL A 65 3.036 -4.192 -10.162 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.610 -6.027 -9.331 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.909 -5.620 -8.184 1.00 1.00 H new ATOM 0 HG13 VAL A 65 1.244 -5.074 -7.874 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.658 -4.297 -10.819 1.00 1.00 H new ATOM 0 HG22 VAL A 65 0.239 -3.246 -9.445 1.00 1.00 H new ATOM 0 HG23 VAL A 65 1.260 -2.624 -10.762 1.00 1.00 H new ATOM 568 N ARG A 66 4.983 -3.761 -7.973 1.00 1.00 N ATOM 569 CA ARG A 66 6.039 -4.276 -7.120 1.00 1.00 C ATOM 570 C ARG A 66 6.174 -3.414 -5.863 1.00 1.00 C ATOM 571 O ARG A 66 5.951 -3.892 -4.751 1.00 1.00 O ATOM 572 CB ARG A 66 7.380 -4.304 -7.857 1.00 1.00 C ATOM 573 CG ARG A 66 7.428 -5.454 -8.864 1.00 1.00 C ATOM 574 CD ARG A 66 8.822 -6.082 -8.913 1.00 1.00 C ATOM 575 NE ARG A 66 8.994 -6.836 -10.175 1.00 1.00 N ATOM 576 CZ ARG A 66 9.010 -6.269 -11.399 1.00 1.00 C ATOM 577 NH1 ARG A 66 9.170 -7.039 -12.460 1.00 1.00 N ATOM 578 NH2 ARG A 66 8.864 -4.934 -11.538 1.00 1.00 N ATOM 0 H ARG A 66 5.226 -3.699 -8.962 1.00 1.00 H new ATOM 0 HA ARG A 66 5.771 -5.295 -6.840 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.535 -3.357 -8.374 1.00 1.00 H new ATOM 0 HB3 ARG A 66 8.192 -4.411 -7.138 1.00 1.00 H new ATOM 0 HG2 ARG A 66 6.693 -6.212 -8.591 1.00 1.00 H new ATOM 0 HG3 ARG A 66 7.155 -5.087 -9.854 1.00 1.00 H new ATOM 0 HD2 ARG A 66 9.583 -5.305 -8.838 1.00 1.00 H new ATOM 0 HD3 ARG A 66 8.960 -6.747 -8.061 1.00 1.00 H new ATOM 0 HE ARG A 66 9.108 -7.848 -10.115 1.00 1.00 H new ATOM 0 HH11 ARG A 66 9.279 -8.047 -12.347 1.00 1.00 H new ATOM 0 HH12 ARG A 66 9.184 -6.626 -13.392 1.00 1.00 H new ATOM 0 HH21 ARG A 66 8.740 -4.346 -10.714 1.00 1.00 H new ATOM 0 HH22 ARG A 66 8.877 -4.514 -12.467 1.00 1.00 H new ATOM 588 N ASP A 67 6.537 -2.159 -6.080 1.00 1.00 N ATOM 589 CA ASP A 67 6.704 -1.226 -4.979 1.00 1.00 C ATOM 590 C ASP A 67 5.657 -1.522 -3.903 1.00 1.00 C ATOM 591 O ASP A 67 5.954 -1.465 -2.711 1.00 1.00 O ATOM 592 CB ASP A 67 6.508 0.218 -5.445 1.00 1.00 C ATOM 593 CG ASP A 67 7.759 0.887 -6.018 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.561 0.250 -6.716 1.00 1.00 O ATOM 595 OD2 ASP A 67 7.896 2.134 -5.717 1.00 1.00 O ATOM 0 H ASP A 67 6.720 -1.766 -7.003 1.00 1.00 H new ATOM 0 HA ASP A 67 7.714 -1.344 -4.588 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.725 0.236 -6.203 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.151 0.811 -4.603 1.00 1.00 H new ATOM 601 N VAL A 68 4.453 -1.830 -4.363 1.00 1.00 N ATOM 602 CA VAL A 68 3.360 -2.135 -3.455 1.00 1.00 C ATOM 603 C VAL A 68 3.407 -3.619 -3.087 1.00 1.00 C ATOM 604 O VAL A 68 2.400 -4.318 -3.185 1.00 1.00 O ATOM 605 CB VAL A 68 2.028 -1.715 -4.080 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.859 -2.040 -3.148 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.039 -0.231 -4.450 1.00 1.00 C ATOM 0 H VAL A 68 4.210 -1.875 -5.353 1.00 1.00 H new ATOM 0 HA VAL A 68 3.462 -1.568 -2.530 1.00 1.00 H new ATOM 0 HB VAL A 68 1.894 -2.287 -4.998 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -0.076 -1.732 -3.616 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.833 -3.113 -2.958 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.986 -1.507 -2.206 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.081 0.041 -4.892 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.208 0.366 -3.554 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.837 -0.041 -5.168 1.00 1.00 H new ATOM 617 N ALA A 69 4.587 -4.056 -2.671 1.00 1.00 N ATOM 618 CA ALA A 69 4.778 -5.444 -2.288 1.00 1.00 C ATOM 619 C ALA A 69 6.106 -5.584 -1.541 1.00 1.00 C ATOM 620 O ALA A 69 6.182 -6.276 -0.527 1.00 1.00 O ATOM 621 CB ALA A 69 4.713 -6.331 -3.533 1.00 1.00 C ATOM 0 H ALA A 69 5.420 -3.473 -2.591 1.00 1.00 H new ATOM 0 HA ALA A 69 3.985 -5.769 -1.615 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.856 -7.373 -3.246 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.740 -6.217 -4.011 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.496 -6.036 -4.231 1.00 1.00 H new ATOM 627 N ALA A 70 7.120 -4.917 -2.072 1.00 1.00 N ATOM 628 CA ALA A 70 8.441 -4.959 -1.469 1.00 1.00 C ATOM 629 C ALA A 70 8.461 -4.057 -0.233 1.00 1.00 C ATOM 630 O ALA A 70 8.622 -4.506 0.900 1.00 1.00 O ATOM 631 CB ALA A 70 9.490 -4.549 -2.506 1.00 1.00 C ATOM 0 H ALA A 70 7.053 -4.344 -2.913 1.00 1.00 H new ATOM 0 HA ALA A 70 8.682 -5.971 -1.144 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.481 -4.581 -2.053 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.455 -5.237 -3.351 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.282 -3.537 -2.853 1.00 1.00 H new ATOM 637 N TYR A 71 8.292 -2.757 -0.480 1.00 1.00 N ATOM 638 CA TYR A 71 8.288 -1.772 0.583 1.00 1.00 C ATOM 639 C TYR A 71 7.426 -2.263 1.738 1.00 1.00 C ATOM 640 O TYR A 71 7.921 -2.333 2.862 1.00 1.00 O ATOM 641 CB TYR A 71 7.763 -0.445 0.043 1.00 1.00 C ATOM 642 CG TYR A 71 8.845 0.584 -0.184 1.00 1.00 C ATOM 643 CD1 TYR A 71 8.620 1.923 0.154 1.00 1.00 C ATOM 644 CD2 TYR A 71 10.074 0.197 -0.732 1.00 1.00 C ATOM 645 CE1 TYR A 71 9.624 2.877 -0.055 1.00 1.00 C ATOM 646 CE2 TYR A 71 11.078 1.150 -0.941 1.00 1.00 C ATOM 647 CZ TYR A 71 10.853 2.490 -0.603 1.00 1.00 C ATOM 648 OH TYR A 71 11.831 3.419 -0.807 1.00 1.00 O ATOM 0 H TYR A 71 8.156 -2.369 -1.413 1.00 1.00 H new ATOM 0 HA TYR A 71 9.303 -1.624 0.951 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.241 -0.625 -0.897 1.00 1.00 H new ATOM 0 HB3 TYR A 71 7.030 -0.042 0.742 1.00 1.00 H new ATOM 0 HD1 TYR A 71 7.672 2.221 0.576 1.00 1.00 H new ATOM 0 HD2 TYR A 71 10.247 -0.836 -0.993 1.00 1.00 H new ATOM 0 HE1 TYR A 71 9.450 3.910 0.206 1.00 1.00 H new ATOM 0 HE2 TYR A 71 12.026 0.852 -1.363 1.00 1.00 H new ATOM 0 HH TYR A 71 12.620 2.984 -1.193 1.00 1.00 H new ATOM 658 N ILE A 72 6.174 -2.588 1.447 1.00 1.00 N ATOM 659 CA ILE A 72 5.268 -3.068 2.477 1.00 1.00 C ATOM 660 C ILE A 72 6.021 -4.016 3.412 1.00 1.00 C ATOM 661 O ILE A 72 5.781 -4.025 4.618 1.00 1.00 O ATOM 662 CB ILE A 72 4.021 -3.690 1.845 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.396 -4.845 0.914 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.180 -2.628 1.132 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.296 -5.908 0.889 1.00 1.00 C ATOM 0 H ILE A 72 5.766 -2.528 0.514 1.00 1.00 H new ATOM 0 HA ILE A 72 4.909 -2.238 3.086 1.00 1.00 H new ATOM 0 HB ILE A 72 3.405 -4.106 2.642 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.562 -4.465 -0.094 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.333 -5.294 1.244 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.300 -3.096 0.692 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.867 -1.870 1.850 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.774 -2.161 0.346 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.588 -6.718 0.220 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.149 -6.303 1.894 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.367 -5.462 0.535 1.00 1.00 H new ATOM 677 N ARG A 73 6.918 -4.792 2.820 1.00 1.00 N ATOM 678 CA ARG A 73 7.707 -5.741 3.585 1.00 1.00 C ATOM 679 C ARG A 73 8.590 -5.006 4.595 1.00 1.00 C ATOM 680 O ARG A 73 8.475 -5.223 5.800 1.00 1.00 O ATOM 681 CB ARG A 73 8.591 -6.589 2.667 1.00 1.00 C ATOM 682 CG ARG A 73 8.620 -8.047 3.128 1.00 1.00 C ATOM 683 CD ARG A 73 9.708 -8.268 4.181 1.00 1.00 C ATOM 684 NE ARG A 73 10.611 -9.360 3.754 1.00 1.00 N ATOM 685 CZ ARG A 73 11.327 -10.126 4.604 1.00 1.00 C ATOM 686 NH1 ARG A 73 12.103 -11.075 4.113 1.00 1.00 N ATOM 687 NH2 ARG A 73 11.250 -9.926 5.937 1.00 1.00 N ATOM 0 H ARG A 73 7.115 -4.782 1.819 1.00 1.00 H new ATOM 0 HA ARG A 73 7.015 -6.397 4.113 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.217 -6.535 1.644 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.604 -6.186 2.658 1.00 1.00 H new ATOM 0 HG2 ARG A 73 7.649 -8.321 3.540 1.00 1.00 H new ATOM 0 HG3 ARG A 73 8.799 -8.699 2.273 1.00 1.00 H new ATOM 0 HD2 ARG A 73 10.277 -7.350 4.326 1.00 1.00 H new ATOM 0 HD3 ARG A 73 9.253 -8.515 5.140 1.00 1.00 H new ATOM 0 HE ARG A 73 10.698 -9.545 2.755 1.00 1.00 H new ATOM 0 HH11 ARG A 73 12.155 -11.221 3.105 1.00 1.00 H new ATOM 0 HH12 ARG A 73 12.650 -11.662 4.742 1.00 1.00 H new ATOM 0 HH21 ARG A 73 10.647 -9.192 6.309 1.00 1.00 H new ATOM 0 HH22 ARG A 73 11.794 -10.509 6.573 1.00 1.00 H new ATOM 697 N ASN A 74 9.453 -4.150 4.066 1.00 1.00 N ATOM 698 CA ASN A 74 10.354 -3.381 4.906 1.00 1.00 C ATOM 699 C ASN A 74 10.263 -1.902 4.524 1.00 1.00 C ATOM 700 O ASN A 74 11.165 -1.327 3.918 1.00 1.00 O ATOM 701 CB ASN A 74 11.804 -3.830 4.713 1.00 1.00 C ATOM 702 CG ASN A 74 12.644 -3.518 5.953 1.00 1.00 C ATOM 703 OD1 ASN A 74 13.550 -2.700 5.932 1.00 1.00 O ATOM 704 ND2 ASN A 74 12.296 -4.213 7.032 1.00 1.00 N ATOM 0 H ASN A 74 9.547 -3.973 3.066 1.00 1.00 H new ATOM 0 HA ASN A 74 10.063 -3.537 5.945 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.833 -4.900 4.510 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.231 -3.329 3.844 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.797 -4.077 7.910 1.00 1.00 H new ATOM 0 HD22 ASN A 74 11.528 -4.882 6.982 1.00 1.00 H new ATOM 711 N PRO A 75 9.137 -1.291 4.898 1.00 1.00 N ATOM 712 CA PRO A 75 8.841 0.102 4.644 1.00 1.00 C ATOM 713 C PRO A 75 9.515 0.969 5.698 1.00 1.00 C ATOM 714 O PRO A 75 10.103 0.421 6.629 1.00 1.00 O ATOM 715 CB PRO A 75 7.320 0.204 4.742 1.00 1.00 C ATOM 716 CG PRO A 75 6.960 -0.877 5.710 1.00 1.00 C ATOM 717 CD PRO A 75 8.056 -1.936 5.612 1.00 1.00 C ATOM 0 HA PRO A 75 9.203 0.442 3.674 1.00 1.00 H new ATOM 0 HB2 PRO A 75 7.006 1.184 5.100 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.844 0.051 3.773 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.893 -0.482 6.724 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.986 -1.304 5.469 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.377 -2.265 6.601 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.704 -2.820 5.081 1.00 1.00 H new ATOM 725 N GLY A 76 9.421 2.280 5.537 1.00 1.00 N ATOM 726 CA GLY A 76 10.031 3.196 6.487 1.00 1.00 C ATOM 727 C GLY A 76 9.093 3.469 7.664 1.00 1.00 C ATOM 728 O GLY A 76 8.058 2.830 7.837 1.00 1.00 O ATOM 0 H GLY A 76 8.932 2.731 4.763 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.967 2.775 6.853 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.276 4.133 5.988 1.00 1.00 H new ATOM 732 N PRO A 77 9.485 4.449 8.482 1.00 1.00 N ATOM 733 CA PRO A 77 8.752 4.876 9.655 1.00 1.00 C ATOM 734 C PRO A 77 7.379 5.385 9.241 1.00 1.00 C ATOM 735 O PRO A 77 7.227 5.824 8.102 1.00 1.00 O ATOM 736 CB PRO A 77 9.594 5.999 10.256 1.00 1.00 C ATOM 737 CG PRO A 77 10.493 6.470 9.164 1.00 1.00 C ATOM 738 CD PRO A 77 10.696 5.222 8.309 1.00 1.00 C ATOM 0 HA PRO A 77 8.590 4.070 10.371 1.00 1.00 H new ATOM 0 HB2 PRO A 77 8.962 6.810 10.617 1.00 1.00 H new ATOM 0 HB3 PRO A 77 10.171 5.640 11.109 1.00 1.00 H new ATOM 0 HG2 PRO A 77 10.040 7.280 8.592 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.438 6.847 9.556 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.852 5.482 7.262 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.572 4.660 8.632 1.00 1.00 H new ATOM 746 N GLY A 78 6.420 5.317 10.153 1.00 1.00 N ATOM 747 CA GLY A 78 5.073 5.775 9.859 1.00 1.00 C ATOM 748 C GLY A 78 4.177 4.609 9.439 1.00 1.00 C ATOM 749 O GLY A 78 2.985 4.597 9.742 1.00 1.00 O ATOM 0 H GLY A 78 6.550 4.951 11.096 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.652 6.264 10.737 1.00 1.00 H new ATOM 0 HA3 GLY A 78 5.104 6.520 9.064 1.00 1.00 H new ATOM 753 N MET A 79 4.785 3.656 8.748 1.00 1.00 N ATOM 754 CA MET A 79 4.057 2.487 8.284 1.00 1.00 C ATOM 755 C MET A 79 4.659 1.202 8.856 1.00 1.00 C ATOM 756 O MET A 79 5.862 0.962 8.795 1.00 1.00 O ATOM 757 CB MET A 79 4.099 2.434 6.755 1.00 1.00 C ATOM 758 CG MET A 79 2.887 1.682 6.200 1.00 1.00 C ATOM 759 SD MET A 79 2.655 2.088 4.477 1.00 1.00 S ATOM 760 CE MET A 79 3.140 0.543 3.726 1.00 1.00 C ATOM 0 H MET A 79 5.774 3.669 8.498 1.00 1.00 H new ATOM 0 HA MET A 79 3.025 2.565 8.626 1.00 1.00 H new ATOM 0 HB2 MET A 79 4.119 3.447 6.353 1.00 1.00 H new ATOM 0 HB3 MET A 79 5.016 1.944 6.429 1.00 1.00 H new ATOM 0 HG2 MET A 79 3.032 0.608 6.313 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.994 1.945 6.768 1.00 1.00 H new ATOM 0 HE1 MET A 79 3.054 0.622 2.642 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.173 0.317 3.992 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.490 -0.255 4.084 1.00 1.00 H new ATOM 770 N PRO A 80 3.780 0.371 9.422 1.00 1.00 N ATOM 771 CA PRO A 80 4.129 -0.898 10.024 1.00 1.00 C ATOM 772 C PRO A 80 4.900 -1.744 9.021 1.00 1.00 C ATOM 773 O PRO A 80 5.662 -1.185 8.234 1.00 1.00 O ATOM 774 CB PRO A 80 2.791 -1.546 10.374 1.00 1.00 C ATOM 775 CG PRO A 80 1.828 -0.448 10.462 1.00 1.00 C ATOM 776 CD PRO A 80 2.358 0.623 9.511 1.00 1.00 C ATOM 0 HA PRO A 80 4.764 -0.791 10.903 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.494 -2.267 9.612 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.854 -2.088 11.318 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.830 -0.775 10.171 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.755 -0.069 11.481 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.882 0.553 8.533 1.00 1.00 H new ATOM 0 HD3 PRO A 80 2.157 1.624 9.892 1.00 1.00 H new ATOM 784 N ALA A 81 4.694 -3.052 9.064 1.00 1.00 N ATOM 785 CA ALA A 81 5.381 -3.949 8.151 1.00 1.00 C ATOM 786 C ALA A 81 4.510 -5.182 7.902 1.00 1.00 C ATOM 787 O ALA A 81 3.562 -5.437 8.644 1.00 1.00 O ATOM 788 CB ALA A 81 6.752 -4.310 8.726 1.00 1.00 C ATOM 0 H ALA A 81 4.060 -3.512 9.718 1.00 1.00 H new ATOM 0 HA ALA A 81 5.548 -3.464 7.189 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.268 -4.983 8.041 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.342 -3.403 8.857 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.624 -4.802 9.690 1.00 1.00 H new ATOM 794 N PHE A 82 4.862 -5.914 6.855 1.00 1.00 N ATOM 795 CA PHE A 82 4.124 -7.114 6.499 1.00 1.00 C ATOM 796 C PHE A 82 5.044 -8.151 5.852 1.00 1.00 C ATOM 797 O PHE A 82 5.407 -8.022 4.684 1.00 1.00 O ATOM 798 CB PHE A 82 3.054 -6.698 5.488 1.00 1.00 C ATOM 799 CG PHE A 82 2.078 -5.642 6.014 1.00 1.00 C ATOM 800 CD1 PHE A 82 2.427 -4.328 6.002 1.00 1.00 C ATOM 801 CD2 PHE A 82 0.863 -6.019 6.494 1.00 1.00 C ATOM 802 CE1 PHE A 82 1.522 -3.348 6.490 1.00 1.00 C ATOM 803 CE2 PHE A 82 -0.042 -5.039 6.981 1.00 1.00 C ATOM 804 CZ PHE A 82 0.306 -3.725 6.969 1.00 1.00 C ATOM 0 H PHE A 82 5.648 -5.699 6.242 1.00 1.00 H new ATOM 0 HA PHE A 82 3.688 -7.561 7.392 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.544 -6.312 4.594 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.490 -7.581 5.187 1.00 1.00 H new ATOM 0 HD1 PHE A 82 3.393 -4.029 5.621 1.00 1.00 H new ATOM 0 HD2 PHE A 82 0.586 -7.063 6.505 1.00 1.00 H new ATOM 0 HE1 PHE A 82 1.799 -2.304 6.481 1.00 1.00 H new ATOM 0 HE2 PHE A 82 -1.008 -5.338 7.361 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.383 -2.980 7.340 1.00 1.00 H new ATOM 814 N GLY A 83 5.394 -9.158 6.639 1.00 1.00 N ATOM 815 CA GLY A 83 6.265 -10.217 6.158 1.00 1.00 C ATOM 816 C GLY A 83 5.458 -11.461 5.783 1.00 1.00 C ATOM 817 O GLY A 83 4.231 -11.411 5.706 1.00 1.00 O ATOM 0 H GLY A 83 5.090 -9.263 7.607 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.825 -9.867 5.291 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.995 -10.470 6.927 1.00 1.00 H new ATOM 821 N GLU A 84 6.180 -12.550 5.560 1.00 1.00 N ATOM 822 CA GLU A 84 5.546 -13.806 5.194 1.00 1.00 C ATOM 823 C GLU A 84 4.883 -14.441 6.418 1.00 1.00 C ATOM 824 O GLU A 84 4.293 -15.516 6.321 1.00 1.00 O ATOM 825 CB GLU A 84 6.555 -14.764 4.558 1.00 1.00 C ATOM 826 CG GLU A 84 5.845 -15.944 3.891 1.00 1.00 C ATOM 827 CD GLU A 84 6.848 -16.856 3.181 1.00 1.00 C ATOM 828 OE1 GLU A 84 7.257 -17.883 3.743 1.00 1.00 O ATOM 829 OE2 GLU A 84 7.200 -16.467 2.003 1.00 1.00 O ATOM 0 H GLU A 84 7.197 -12.589 5.626 1.00 1.00 H new ATOM 0 HA GLU A 84 4.774 -13.599 4.453 1.00 1.00 H new ATOM 0 HB2 GLU A 84 7.153 -14.230 3.820 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.243 -15.132 5.320 1.00 1.00 H new ATOM 0 HG2 GLU A 84 5.297 -16.514 4.641 1.00 1.00 H new ATOM 0 HG3 GLU A 84 5.113 -15.574 3.173 1.00 1.00 H new ATOM 837 N ALA A 85 5.001 -13.749 7.542 1.00 1.00 N ATOM 838 CA ALA A 85 4.420 -14.232 8.783 1.00 1.00 C ATOM 839 C ALA A 85 2.901 -14.326 8.627 1.00 1.00 C ATOM 840 O ALA A 85 2.284 -15.283 9.094 1.00 1.00 O ATOM 841 CB ALA A 85 4.832 -13.311 9.932 1.00 1.00 C ATOM 0 H ALA A 85 5.491 -12.857 7.619 1.00 1.00 H new ATOM 0 HA ALA A 85 4.790 -15.230 9.017 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.396 -13.673 10.863 1.00 1.00 H new ATOM 0 HB2 ALA A 85 5.918 -13.302 10.019 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.476 -12.300 9.734 1.00 1.00 H new ATOM 847 N MET A 86 2.342 -13.321 7.970 1.00 1.00 N ATOM 848 CA MET A 86 0.907 -13.278 7.747 1.00 1.00 C ATOM 849 C MET A 86 0.584 -13.282 6.251 1.00 1.00 C ATOM 850 O MET A 86 -0.169 -14.131 5.777 1.00 1.00 O ATOM 851 CB MET A 86 0.327 -12.018 8.391 1.00 1.00 C ATOM 852 CG MET A 86 -1.179 -12.162 8.621 1.00 1.00 C ATOM 853 SD MET A 86 -1.761 -10.861 9.694 1.00 1.00 S ATOM 854 CE MET A 86 -0.775 -11.192 11.145 1.00 1.00 C ATOM 0 H MET A 86 2.857 -12.530 7.585 1.00 1.00 H new ATOM 0 HA MET A 86 0.462 -14.165 8.198 1.00 1.00 H new ATOM 0 HB2 MET A 86 0.827 -11.828 9.341 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.520 -11.157 7.751 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.706 -12.121 7.668 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.396 -13.134 9.064 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.300 -10.835 12.031 1.00 1.00 H new ATOM 0 HE2 MET A 86 -0.605 -12.265 11.232 1.00 1.00 H new ATOM 0 HE3 MET A 86 0.183 -10.679 11.059 1.00 1.00 H new ATOM 864 N ILE A 87 1.170 -12.323 5.550 1.00 1.00 N ATOM 865 CA ILE A 87 0.954 -12.205 4.118 1.00 1.00 C ATOM 866 C ILE A 87 2.281 -12.419 3.387 1.00 1.00 C ATOM 867 O ILE A 87 3.242 -11.670 3.546 1.00 1.00 O ATOM 868 CB ILE A 87 0.277 -10.873 3.786 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.957 -10.652 4.663 1.00 1.00 C ATOM 870 CG2 ILE A 87 -0.055 -10.783 2.295 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.964 -9.731 3.970 1.00 1.00 C ATOM 0 H ILE A 87 1.794 -11.621 5.947 1.00 1.00 H new ATOM 0 HA ILE A 87 0.270 -12.979 3.771 1.00 1.00 H new ATOM 0 HB ILE A 87 0.978 -10.069 4.008 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.427 -11.610 4.884 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.657 -10.217 5.616 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.535 -9.827 2.086 1.00 1.00 H new ATOM 0 HG22 ILE A 87 0.863 -10.863 1.712 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.729 -11.595 2.023 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.832 -9.590 4.614 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.498 -8.766 3.773 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.280 -10.180 3.029 1.00 1.00 H new ATOM 883 N PRO A 88 2.311 -13.474 2.570 1.00 1.00 N ATOM 884 CA PRO A 88 3.460 -13.863 1.781 1.00 1.00 C ATOM 885 C PRO A 88 3.647 -12.880 0.634 1.00 1.00 C ATOM 886 O PRO A 88 2.674 -12.433 0.031 1.00 1.00 O ATOM 887 CB PRO A 88 3.123 -15.257 1.258 1.00 1.00 C ATOM 888 CG PRO A 88 1.643 -15.288 1.218 1.00 1.00 C ATOM 889 CD PRO A 88 1.199 -14.376 2.359 1.00 1.00 C ATOM 0 HA PRO A 88 4.387 -13.865 2.354 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.551 -15.425 0.270 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.519 -16.033 1.913 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.266 -14.932 0.259 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.265 -16.302 1.353 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.292 -13.831 2.098 1.00 1.00 H new ATOM 0 HD3 PRO A 88 0.979 -14.949 3.260 1.00 1.00 H new ATOM 897 N PRO A 89 4.904 -12.542 0.334 1.00 1.00 N ATOM 898 CA PRO A 89 5.272 -11.624 -0.722 1.00 1.00 C ATOM 899 C PRO A 89 4.410 -11.885 -1.949 1.00 1.00 C ATOM 900 O PRO A 89 3.892 -10.930 -2.526 1.00 1.00 O ATOM 901 CB PRO A 89 6.740 -11.927 -1.011 1.00 1.00 C ATOM 902 CG PRO A 89 7.260 -12.464 0.262 1.00 1.00 C ATOM 903 CD PRO A 89 6.072 -13.048 1.022 1.00 1.00 C ATOM 0 HA PRO A 89 5.125 -10.580 -0.446 1.00 1.00 H new ATOM 0 HB2 PRO A 89 6.845 -12.650 -1.820 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.279 -11.029 -1.314 1.00 1.00 H new ATOM 0 HG2 PRO A 89 8.013 -13.230 0.078 1.00 1.00 H new ATOM 0 HG3 PRO A 89 7.741 -11.678 0.844 1.00 1.00 H new ATOM 0 HD2 PRO A 89 6.094 -14.138 1.013 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.080 -12.738 2.067 1.00 1.00 H new ATOM 911 N ALA A 90 4.274 -13.150 -2.321 1.00 1.00 N ATOM 912 CA ALA A 90 3.473 -13.507 -3.480 1.00 1.00 C ATOM 913 C ALA A 90 2.047 -12.988 -3.289 1.00 1.00 C ATOM 914 O ALA A 90 1.441 -12.468 -4.225 1.00 1.00 O ATOM 915 CB ALA A 90 3.520 -15.022 -3.685 1.00 1.00 C ATOM 0 H ALA A 90 4.705 -13.940 -1.840 1.00 1.00 H new ATOM 0 HA ALA A 90 3.874 -13.043 -4.381 1.00 1.00 H new ATOM 0 HB1 ALA A 90 2.919 -15.290 -4.554 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.551 -15.336 -3.846 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.123 -15.521 -2.801 1.00 1.00 H new ATOM 921 N ASP A 91 1.552 -13.147 -2.070 1.00 1.00 N ATOM 922 CA ASP A 91 0.208 -12.700 -1.745 1.00 1.00 C ATOM 923 C ASP A 91 0.177 -11.171 -1.712 1.00 1.00 C ATOM 924 O ASP A 91 -0.893 -10.570 -1.621 1.00 1.00 O ATOM 925 CB ASP A 91 -0.224 -13.211 -0.368 1.00 1.00 C ATOM 926 CG ASP A 91 -0.617 -14.689 -0.322 1.00 1.00 C ATOM 927 OD1 ASP A 91 -1.551 -15.079 0.394 1.00 1.00 O ATOM 928 OD2 ASP A 91 0.091 -15.466 -1.071 1.00 1.00 O ATOM 0 H ASP A 91 2.057 -13.579 -1.296 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.470 -13.090 -2.504 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.591 -13.045 0.337 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -1.069 -12.615 -0.024 1.00 1.00 H new ATOM 934 N ALA A 92 1.363 -10.585 -1.788 1.00 1.00 N ATOM 935 CA ALA A 92 1.485 -9.137 -1.768 1.00 1.00 C ATOM 936 C ALA A 92 1.344 -8.599 -3.193 1.00 1.00 C ATOM 937 O ALA A 92 0.775 -7.528 -3.402 1.00 1.00 O ATOM 938 CB ALA A 92 2.818 -8.746 -1.126 1.00 1.00 C ATOM 0 H ALA A 92 2.248 -11.087 -1.864 1.00 1.00 H new ATOM 0 HA ALA A 92 0.691 -8.693 -1.167 1.00 1.00 H new ATOM 0 HB1 ALA A 92 2.910 -7.660 -1.111 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.856 -9.128 -0.106 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.639 -9.171 -1.704 1.00 1.00 H new ATOM 944 N LEU A 93 1.870 -9.366 -4.136 1.00 1.00 N ATOM 945 CA LEU A 93 1.810 -8.979 -5.536 1.00 1.00 C ATOM 946 C LEU A 93 0.346 -8.867 -5.967 1.00 1.00 C ATOM 947 O LEU A 93 0.041 -8.251 -6.987 1.00 1.00 O ATOM 948 CB LEU A 93 2.632 -9.942 -6.394 1.00 1.00 C ATOM 949 CG LEU A 93 4.152 -9.838 -6.250 1.00 1.00 C ATOM 950 CD1 LEU A 93 4.846 -11.039 -6.896 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.666 -8.510 -6.808 1.00 1.00 C ATOM 0 H LEU A 93 2.340 -10.254 -3.959 1.00 1.00 H new ATOM 0 HA LEU A 93 2.261 -7.997 -5.680 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.333 -10.961 -6.149 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.374 -9.776 -7.440 1.00 1.00 H new ATOM 0 HG LEU A 93 4.397 -9.857 -5.188 1.00 1.00 H new ATOM 0 HD11 LEU A 93 5.925 -10.941 -6.780 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.511 -11.956 -6.412 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.597 -11.076 -7.956 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.749 -8.462 -6.693 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.409 -8.436 -7.865 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.206 -7.685 -6.264 1.00 1.00 H new ATOM 963 N LYS A 94 -0.521 -9.472 -5.168 1.00 1.00 N ATOM 964 CA LYS A 94 -1.945 -9.448 -5.454 1.00 1.00 C ATOM 965 C LYS A 94 -2.558 -8.175 -4.866 1.00 1.00 C ATOM 966 O LYS A 94 -3.642 -7.759 -5.273 1.00 1.00 O ATOM 967 CB LYS A 94 -2.612 -10.735 -4.963 1.00 1.00 C ATOM 968 CG LYS A 94 -2.812 -10.704 -3.446 1.00 1.00 C ATOM 969 CD LYS A 94 -4.299 -10.752 -3.088 1.00 1.00 C ATOM 970 CE LYS A 94 -4.865 -12.160 -3.287 1.00 1.00 C ATOM 971 NZ LYS A 94 -6.327 -12.167 -3.054 1.00 1.00 N ATOM 0 H LYS A 94 -0.264 -9.982 -4.323 1.00 1.00 H new ATOM 0 HA LYS A 94 -2.117 -9.417 -6.530 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -3.575 -10.862 -5.458 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -1.998 -11.594 -5.235 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -2.297 -11.550 -2.990 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -2.364 -9.799 -3.035 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -4.438 -10.443 -2.052 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -4.849 -10.044 -3.708 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -4.650 -12.506 -4.298 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -4.378 -12.855 -2.602 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -6.696 -13.129 -3.193 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -6.525 -11.857 -2.081 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -6.788 -11.519 -3.724 1.00 1.00 H new ATOM 984 N ILE A 95 -1.837 -7.592 -3.920 1.00 1.00 N ATOM 985 CA ILE A 95 -2.296 -6.375 -3.272 1.00 1.00 C ATOM 986 C ILE A 95 -1.971 -5.175 -4.163 1.00 1.00 C ATOM 987 O ILE A 95 -2.757 -4.233 -4.253 1.00 1.00 O ATOM 988 CB ILE A 95 -1.717 -6.268 -1.860 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.852 -7.594 -1.110 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.353 -5.108 -1.093 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.284 -7.798 -0.611 1.00 1.00 C ATOM 0 H ILE A 95 -0.938 -7.940 -3.586 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.379 -6.395 -3.146 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.652 -6.053 -1.943 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.571 -8.418 -1.766 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.163 -7.610 -0.266 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.924 -5.054 -0.093 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -2.161 -4.174 -1.621 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.429 -5.268 -1.018 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.353 -8.748 -0.081 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.553 -6.986 0.064 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -3.968 -7.806 -1.460 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.811 -5.248 -4.800 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.372 -4.179 -5.681 1.00 1.00 C ATOM 1005 C GLY A 96 -1.405 -3.914 -6.778 1.00 1.00 C ATOM 1006 O GLY A 96 -1.420 -2.838 -7.375 1.00 1.00 O ATOM 0 H GLY A 96 -0.162 -6.031 -4.723 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.209 -3.270 -5.102 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.584 -4.445 -6.133 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.244 -4.913 -7.011 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.278 -4.801 -8.026 1.00 1.00 C ATOM 1012 C GLU A 97 -4.409 -3.895 -7.534 1.00 1.00 C ATOM 1013 O GLU A 97 -4.810 -2.936 -8.190 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.811 -6.180 -8.419 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.684 -7.214 -8.455 1.00 1.00 C ATOM 1016 CD GLU A 97 -3.120 -8.474 -9.206 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.555 -9.450 -8.579 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -2.995 -8.414 -10.489 1.00 1.00 O ATOM 0 H GLU A 97 -2.229 -5.804 -6.514 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.839 -4.350 -8.916 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.575 -6.494 -7.708 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.289 -6.124 -9.397 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.806 -6.784 -8.938 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.393 -7.475 -7.438 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.920 -4.226 -6.346 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.998 -3.469 -5.742 1.00 1.00 C ATOM 1028 C TYR A 98 -5.672 -1.983 -5.783 1.00 1.00 C ATOM 1029 O TYR A 98 -6.596 -1.172 -5.808 1.00 1.00 O ATOM 1030 CB TYR A 98 -6.204 -3.938 -4.305 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.387 -3.293 -3.624 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -7.183 -2.382 -2.580 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -8.688 -3.606 -4.036 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -8.280 -1.784 -1.949 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -9.785 -3.007 -3.405 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.581 -2.096 -2.361 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.650 -1.513 -1.747 1.00 1.00 O ATOM 0 H TYR A 98 -4.598 -5.017 -5.789 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.920 -3.633 -6.300 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.338 -5.020 -4.300 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.303 -3.725 -3.729 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -6.179 -2.141 -2.262 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -8.845 -4.309 -4.840 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -8.123 -1.082 -1.144 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -10.789 -3.247 -3.723 1.00 1.00 H new ATOM 0 HH TYR A 98 -11.479 -1.839 -2.155 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.387 -1.658 -5.789 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.968 -0.267 -5.827 1.00 1.00 C ATOM 1049 C VAL A 99 -3.678 0.134 -7.275 1.00 1.00 C ATOM 1050 O VAL A 99 -2.825 0.983 -7.529 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.771 -0.056 -4.898 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -2.201 1.356 -5.050 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -3.150 -0.341 -3.443 1.00 1.00 C ATOM 0 H VAL A 99 -3.623 -2.334 -5.768 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.764 0.382 -5.463 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.994 -0.763 -5.187 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.351 1.480 -4.379 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.876 1.508 -6.079 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.970 2.087 -4.801 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.282 -0.184 -2.803 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.952 0.331 -3.138 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.487 -1.374 -3.350 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.406 -0.495 -8.186 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.238 -0.214 -9.602 1.00 1.00 C ATOM 1065 C VAL A 100 -5.583 -0.375 -10.313 1.00 1.00 C ATOM 1066 O VAL A 100 -5.630 -0.542 -11.530 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.142 -1.108 -10.186 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.036 -0.925 -11.702 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.797 -0.843 -9.506 1.00 1.00 C ATOM 0 H VAL A 100 -5.113 -1.198 -7.971 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.913 0.816 -9.751 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.416 -2.145 -9.992 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.250 -1.571 -12.092 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -3.986 -1.187 -12.167 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -2.796 0.114 -11.927 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.036 -1.492 -9.940 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.513 0.199 -9.654 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.882 -1.047 -8.439 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.644 -0.319 -9.522 1.00 1.00 N ATOM 1080 CA ALA A 101 -7.987 -0.456 -10.060 1.00 1.00 C ATOM 1081 C ALA A 101 -8.847 0.714 -9.578 1.00 1.00 C ATOM 1082 O ALA A 101 -10.073 0.614 -9.542 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.565 -1.812 -9.650 1.00 1.00 C ATOM 0 H ALA A 101 -6.601 -0.181 -8.512 1.00 1.00 H new ATOM 0 HA ALA A 101 -7.969 -0.425 -11.149 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.572 -1.915 -10.053 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -7.934 -2.610 -10.041 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.601 -1.878 -8.563 1.00 1.00 H new ATOM 1089 N SER A 102 -8.171 1.796 -9.222 1.00 1.00 N ATOM 1090 CA SER A 102 -8.858 2.984 -8.744 1.00 1.00 C ATOM 1091 C SER A 102 -8.015 4.228 -9.032 1.00 1.00 C ATOM 1092 O SER A 102 -8.533 5.237 -9.507 1.00 1.00 O ATOM 1093 CB SER A 102 -9.160 2.882 -7.248 1.00 1.00 C ATOM 1094 OG SER A 102 -8.033 2.422 -6.506 1.00 1.00 O ATOM 0 H SER A 102 -7.155 1.875 -9.255 1.00 1.00 H new ATOM 0 HA SER A 102 -9.807 3.066 -9.273 1.00 1.00 H new ATOM 0 HB2 SER A 102 -9.467 3.858 -6.873 1.00 1.00 H new ATOM 0 HB3 SER A 102 -9.998 2.203 -7.093 1.00 1.00 H new ATOM 0 HG SER A 102 -7.547 3.190 -6.139 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.729 4.114 -8.733 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.809 5.216 -8.953 1.00 1.00 C ATOM 1102 C PHE A 103 -4.389 4.704 -9.203 1.00 1.00 C ATOM 1103 O PHE A 103 -3.557 4.622 -8.303 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.815 6.065 -7.681 1.00 1.00 C ATOM 1105 CG PHE A 103 -6.193 5.290 -6.417 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.635 4.074 -6.173 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -7.086 5.817 -5.537 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.986 3.354 -5.001 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.437 5.097 -4.365 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.879 3.881 -4.121 1.00 1.00 C ATOM 0 H PHE A 103 -6.303 3.275 -8.340 1.00 1.00 H new ATOM 0 HA PHE A 103 -6.119 5.790 -9.827 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.826 6.503 -7.544 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -6.514 6.891 -7.811 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.925 3.656 -6.871 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.528 6.783 -5.730 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.544 2.388 -4.808 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -8.147 5.515 -3.667 1.00 1.00 H new ATOM 0 HZ PHE A 103 -7.145 3.334 -3.229 1.00 1.00 H new ATOM 1120 N PRO A 104 -4.129 4.356 -10.466 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.855 3.849 -10.926 1.00 1.00 C ATOM 1122 C PRO A 104 -1.966 5.009 -11.351 1.00 1.00 C ATOM 1123 O PRO A 104 -2.042 6.094 -10.778 1.00 1.00 O ATOM 1124 CB PRO A 104 -3.196 2.955 -12.117 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.419 3.717 -12.718 1.00 1.00 C ATOM 1126 CD PRO A 104 -5.084 4.439 -11.549 1.00 1.00 C ATOM 0 HA PRO A 104 -2.314 3.300 -10.155 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.370 2.877 -12.824 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -3.451 1.940 -11.812 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -4.100 4.425 -13.483 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -5.113 3.025 -13.195 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -5.306 5.476 -11.801 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -6.029 3.967 -11.279 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.508 2.653 4.097 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.937 5.384 2.632 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.282 1.145 0.896 1.00 1.00 C HETATM 1138 CHC HEC A 201 -0.925 -0.234 5.409 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.338 4.206 7.079 1.00 1.00 C HETATM 1140 NA HEC A 201 1.024 3.141 2.162 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.569 4.352 1.774 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.707 4.403 0.338 1.00 1.00 C HETATM 1143 C3A HEC A 201 1.249 3.229 -0.146 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.823 2.440 0.985 1.00 1.00 C HETATM 1145 CMA HEC A 201 1.177 2.786 -1.579 1.00 1.00 C HETATM 1146 CAA HEC A 201 2.262 5.566 -0.431 1.00 1.00 C HETATM 1147 CBA HEC A 201 1.316 6.760 -0.521 1.00 1.00 C HETATM 1148 CGA HEC A 201 0.703 7.076 0.835 1.00 1.00 C HETATM 1149 O1A HEC A 201 1.273 7.949 1.525 1.00 1.00 O HETATM 1150 O2A HEC A 201 -0.324 6.441 1.157 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.195 0.835 3.297 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.169 0.402 1.983 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.680 -0.945 1.889 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.016 -1.330 3.138 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.715 -0.226 4.018 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.799 -1.732 0.616 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.593 -2.645 3.576 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.806 -3.860 3.094 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.094 2.066 5.909 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.705 0.887 6.298 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.159 0.986 7.665 1.00 1.00 C HETATM 1162 C3C HEC A 201 -0.826 2.217 8.106 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.163 2.894 7.016 1.00 1.00 C HETATM 1164 CMC HEC A 201 -1.866 -0.105 8.416 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.078 2.813 9.460 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.630 1.928 10.620 1.00 1.00 C HETATM 1167 ND HEC A 201 0.960 4.440 4.703 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.945 4.871 6.018 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.655 6.122 6.144 1.00 1.00 C HETATM 1170 C3D HEC A 201 2.100 6.451 4.913 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.669 5.407 4.013 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.840 6.880 7.426 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.893 7.660 4.509 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.404 7.448 4.535 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.829 6.410 3.505 1.00 1.00 C HETATM 1176 O1D HEC A 201 4.787 6.753 2.304 1.00 1.00 O HETATM 1177 O2D HEC A 201 5.188 5.294 3.939 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.865 7.146 7.835 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.376 6.258 8.142 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.413 7.787 7.233 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.792 -0.360 7.901 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.226 -0.986 8.467 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.094 0.237 9.426 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.456 -1.206 -0.077 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.187 -1.846 0.165 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.214 -2.716 0.834 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.544 3.473 -2.141 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 2.179 2.781 -2.009 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.756 1.782 -1.629 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.910 8.392 4.335 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.712 7.126 5.530 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.165 0.979 10.581 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.442 1.744 10.544 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -0.846 2.428 11.564 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.780 -3.868 2.004 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.212 -3.811 3.481 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.287 -4.770 3.452 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 1.858 7.631 -0.890 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 0.525 6.548 -1.241 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.595 7.958 3.504 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.641 8.486 5.174 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 3.192 5.887 0.038 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 2.511 5.236 -1.440 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.244 4.740 8.025 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.283 -1.162 5.855 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.211 0.692 -0.093 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.470 6.233 2.205 1.00 1.00 H new HETATM 0 H2D HEC A 201 5.205 4.647 3.203 1.00 1.00 H new HETATM 0 H2A HEC A 201 -1.014 7.067 1.460 1.00 1.00 H new