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 76:sc= 0.918 USER MOD Single : A 34 HIS : no HD1:sc= -0.161 X(o=-0.16,f=0.0046) USER MOD Single : A 41 GLN : amide:sc= -0.0825 X(o=-0.083,f=-0.45) USER MOD Single : A 44 ASN : amide:sc= -0.703 K(o=-0.7,f=-4.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -0.874 F(o=-2.5!,f=-0.87) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0814 F(o=-2.2!,f=-0.081) USER MOD Single : A 64 THR OG1 : rot -100:sc= -1.47 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -169:sc= -0.0444 (180deg=-0.224) USER MOD Single : A 94 LYS NZ :NH3+ -107:sc= -0.0112 (180deg=-1.31) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 97:sc= 1.69 USER MOD Single : A 201 HEC O2A : rot 165:sc= -3.1! USER MOD Single : A 201 HEC O2D : rot 124:sc= -2.89! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -12.911 -7.753 -3.412 1.00 1.00 N ATOM 2 CA ALA A 25 -12.098 -7.768 -4.617 1.00 1.00 C ATOM 3 C ALA A 25 -10.766 -8.459 -4.320 1.00 1.00 C ATOM 4 O ALA A 25 -9.702 -7.906 -4.593 1.00 1.00 O ATOM 5 CB ALA A 25 -11.913 -6.337 -5.126 1.00 1.00 C ATOM 0 HA ALA A 25 -12.593 -8.333 -5.407 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -11.303 -6.348 -6.030 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -12.887 -5.902 -5.351 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -11.417 -5.740 -4.361 1.00 1.00 H new ATOM 11 N GLY A 26 -10.868 -9.657 -3.764 1.00 1.00 N ATOM 12 CA GLY A 26 -9.684 -10.429 -3.427 1.00 1.00 C ATOM 13 C GLY A 26 -8.690 -9.587 -2.626 1.00 1.00 C ATOM 14 O GLY A 26 -8.758 -9.540 -1.398 1.00 1.00 O ATOM 0 H GLY A 26 -11.752 -10.112 -3.538 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -9.971 -11.307 -2.849 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.209 -10.789 -4.339 1.00 1.00 H new ATOM 18 N GLY A 27 -7.790 -8.941 -3.352 1.00 1.00 N ATOM 19 CA GLY A 27 -6.783 -8.102 -2.725 1.00 1.00 C ATOM 20 C GLY A 27 -7.425 -7.107 -1.756 1.00 1.00 C ATOM 21 O GLY A 27 -6.828 -6.751 -0.740 1.00 1.00 O ATOM 0 H GLY A 27 -7.737 -8.982 -4.370 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -6.067 -8.725 -2.190 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -6.226 -7.562 -3.491 1.00 1.00 H new ATOM 25 N GLY A 28 -8.632 -6.686 -2.104 1.00 1.00 N ATOM 26 CA GLY A 28 -9.361 -5.738 -1.278 1.00 1.00 C ATOM 27 C GLY A 28 -9.700 -6.347 0.084 1.00 1.00 C ATOM 28 O GLY A 28 -9.736 -5.641 1.091 1.00 1.00 O ATOM 0 H GLY A 28 -9.124 -6.984 -2.947 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.764 -4.837 -1.139 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -10.278 -5.438 -1.785 1.00 1.00 H new ATOM 32 N GLU A 29 -9.941 -7.649 0.071 1.00 1.00 N ATOM 33 CA GLU A 29 -10.277 -8.361 1.293 1.00 1.00 C ATOM 34 C GLU A 29 -9.097 -8.329 2.267 1.00 1.00 C ATOM 35 O GLU A 29 -9.281 -8.473 3.474 1.00 1.00 O ATOM 36 CB GLU A 29 -10.700 -9.800 0.991 1.00 1.00 C ATOM 37 CG GLU A 29 -11.295 -10.468 2.232 1.00 1.00 C ATOM 38 CD GLU A 29 -11.096 -11.984 2.187 1.00 1.00 C ATOM 39 OE1 GLU A 29 -10.205 -12.472 1.474 1.00 1.00 O ATOM 40 OE2 GLU A 29 -11.905 -12.663 2.927 1.00 1.00 O ATOM 0 H GLU A 29 -9.910 -8.230 -0.767 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.124 -7.859 1.762 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.433 -9.806 0.184 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -9.839 -10.371 0.644 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -10.825 -10.062 3.128 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -12.359 -10.239 2.298 1.00 1.00 H new ATOM 48 N LEU A 30 -7.912 -8.139 1.705 1.00 1.00 N ATOM 49 CA LEU A 30 -6.703 -8.087 2.509 1.00 1.00 C ATOM 50 C LEU A 30 -6.421 -6.636 2.904 1.00 1.00 C ATOM 51 O LEU A 30 -6.053 -6.360 4.044 1.00 1.00 O ATOM 52 CB LEU A 30 -5.542 -8.761 1.775 1.00 1.00 C ATOM 53 CG LEU A 30 -5.801 -10.183 1.273 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.495 -10.868 0.867 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.576 -10.998 2.311 1.00 1.00 C ATOM 0 H LEU A 30 -7.764 -8.019 0.703 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.835 -8.650 3.433 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.268 -8.140 0.922 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.681 -8.784 2.442 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.424 -10.122 0.380 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.708 -11.877 0.514 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.018 -10.298 0.070 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.828 -10.918 1.727 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.747 -12.005 1.929 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -6.000 -11.053 3.235 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.534 -10.518 2.509 1.00 1.00 H new ATOM 67 N PHE A 31 -6.603 -5.747 1.938 1.00 1.00 N ATOM 68 CA PHE A 31 -6.373 -4.332 2.171 1.00 1.00 C ATOM 69 C PHE A 31 -7.458 -3.741 3.073 1.00 1.00 C ATOM 70 O PHE A 31 -7.298 -2.643 3.606 1.00 1.00 O ATOM 71 CB PHE A 31 -6.428 -3.639 0.807 1.00 1.00 C ATOM 72 CG PHE A 31 -6.497 -2.113 0.887 1.00 1.00 C ATOM 73 CD1 PHE A 31 -7.624 -1.506 1.345 1.00 1.00 C ATOM 74 CD2 PHE A 31 -5.431 -1.363 0.498 1.00 1.00 C ATOM 75 CE1 PHE A 31 -7.687 -0.089 1.419 1.00 1.00 C ATOM 76 CE2 PHE A 31 -5.494 0.053 0.572 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.621 0.660 1.031 1.00 1.00 C ATOM 0 H PHE A 31 -6.907 -5.980 0.993 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.411 -4.188 2.663 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.547 -3.923 0.231 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.298 -4.004 0.260 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -8.471 -2.101 1.652 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -4.536 -1.845 0.133 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -8.582 0.393 1.784 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -4.647 0.648 0.264 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.669 1.737 1.087 1.00 1.00 H new ATOM 87 N ALA A 32 -8.538 -4.494 3.218 1.00 1.00 N ATOM 88 CA ALA A 32 -9.649 -4.059 4.047 1.00 1.00 C ATOM 89 C ALA A 32 -9.524 -4.693 5.434 1.00 1.00 C ATOM 90 O ALA A 32 -10.512 -5.156 6.000 1.00 1.00 O ATOM 91 CB ALA A 32 -10.969 -4.416 3.360 1.00 1.00 C ATOM 0 H ALA A 32 -8.667 -5.404 2.775 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.631 -2.977 4.176 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.803 -4.090 3.982 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -11.022 -3.918 2.392 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.024 -5.495 3.216 1.00 1.00 H new ATOM 97 N THR A 33 -8.300 -4.692 5.941 1.00 1.00 N ATOM 98 CA THR A 33 -8.032 -5.260 7.251 1.00 1.00 C ATOM 99 C THR A 33 -6.579 -5.006 7.657 1.00 1.00 C ATOM 100 O THR A 33 -6.294 -4.740 8.823 1.00 1.00 O ATOM 101 CB THR A 33 -8.399 -6.745 7.206 1.00 1.00 C ATOM 102 OG1 THR A 33 -9.771 -6.775 7.592 1.00 1.00 O ATOM 103 CG2 THR A 33 -7.688 -7.557 8.290 1.00 1.00 C ATOM 0 H THR A 33 -7.483 -4.307 5.468 1.00 1.00 H new ATOM 0 HA THR A 33 -8.639 -4.782 8.020 1.00 1.00 H new ATOM 0 HB THR A 33 -8.149 -7.151 6.226 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.328 -6.477 6.843 1.00 1.00 H new ATOM 0 HG21 THR A 33 -7.984 -8.603 8.213 1.00 1.00 H new ATOM 0 HG22 THR A 33 -6.609 -7.474 8.158 1.00 1.00 H new ATOM 0 HG23 THR A 33 -7.964 -7.173 9.272 1.00 1.00 H new ATOM 111 N HIS A 34 -5.699 -5.096 6.671 1.00 1.00 N ATOM 112 CA HIS A 34 -4.282 -4.878 6.910 1.00 1.00 C ATOM 113 C HIS A 34 -3.884 -3.488 6.409 1.00 1.00 C ATOM 114 O HIS A 34 -2.713 -3.118 6.461 1.00 1.00 O ATOM 115 CB HIS A 34 -3.447 -5.996 6.282 1.00 1.00 C ATOM 116 CG HIS A 34 -3.864 -7.385 6.704 1.00 1.00 C ATOM 117 ND1 HIS A 34 -3.477 -7.951 7.906 1.00 1.00 N ATOM 118 CD2 HIS A 34 -4.638 -8.314 6.072 1.00 1.00 C ATOM 119 CE1 HIS A 34 -3.999 -9.166 7.983 1.00 1.00 C ATOM 120 NE2 HIS A 34 -4.718 -9.389 6.845 1.00 1.00 N ATOM 0 H HIS A 34 -5.939 -5.317 5.705 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.081 -4.911 7.981 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.516 -5.921 5.197 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.400 -5.846 6.546 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -5.106 -8.194 5.106 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -3.877 -9.859 8.803 1.00 1.00 H new ATOM 0 HE2 HIS A 34 -5.232 -10.242 6.625 1.00 1.00 H new ATOM 128 N CYS A 35 -4.883 -2.757 5.936 1.00 1.00 N ATOM 129 CA CYS A 35 -4.652 -1.416 5.427 1.00 1.00 C ATOM 130 C CYS A 35 -5.846 -0.542 5.814 1.00 1.00 C ATOM 131 O CYS A 35 -5.672 0.565 6.321 1.00 1.00 O ATOM 132 CB CYS A 35 -4.413 -1.418 3.915 1.00 1.00 C ATOM 133 SG CYS A 35 -3.389 -2.806 3.302 1.00 1.00 S ATOM 0 H CYS A 35 -5.854 -3.068 5.895 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.745 -1.007 5.872 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.378 -1.446 3.409 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.933 -0.480 3.636 1.00 1.00 H new ATOM 138 N ALA A 36 -7.034 -1.073 5.561 1.00 1.00 N ATOM 139 CA ALA A 36 -8.257 -0.355 5.877 1.00 1.00 C ATOM 140 C ALA A 36 -8.088 0.367 7.215 1.00 1.00 C ATOM 141 O ALA A 36 -8.602 1.469 7.399 1.00 1.00 O ATOM 142 CB ALA A 36 -9.434 -1.333 5.886 1.00 1.00 C ATOM 0 H ALA A 36 -7.175 -1.992 5.141 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.466 0.400 5.120 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.352 -0.795 6.123 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.529 -1.798 4.904 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.261 -2.104 6.637 1.00 1.00 H new ATOM 148 N GLY A 37 -7.367 -0.284 8.116 1.00 1.00 N ATOM 149 CA GLY A 37 -7.124 0.282 9.432 1.00 1.00 C ATOM 150 C GLY A 37 -5.990 1.308 9.386 1.00 1.00 C ATOM 151 O GLY A 37 -5.081 1.271 10.214 1.00 1.00 O ATOM 0 H GLY A 37 -6.943 -1.199 7.960 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.033 0.756 9.802 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -6.871 -0.513 10.133 1.00 1.00 H new ATOM 155 N CYS A 38 -6.081 2.200 8.411 1.00 1.00 N ATOM 156 CA CYS A 38 -5.074 3.235 8.246 1.00 1.00 C ATOM 157 C CYS A 38 -5.285 3.899 6.885 1.00 1.00 C ATOM 158 O CYS A 38 -5.022 5.090 6.723 1.00 1.00 O ATOM 159 CB CYS A 38 -3.658 2.675 8.395 1.00 1.00 C ATOM 160 SG CYS A 38 -2.930 3.225 9.981 1.00 1.00 S ATOM 0 H CYS A 38 -6.837 2.228 7.727 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.184 3.981 9.033 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.683 1.586 8.355 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -3.036 3.010 7.565 1.00 1.00 H new ATOM 165 N HIS A 39 -5.759 3.100 5.939 1.00 1.00 N ATOM 166 CA HIS A 39 -6.008 3.595 4.596 1.00 1.00 C ATOM 167 C HIS A 39 -7.499 3.476 4.274 1.00 1.00 C ATOM 168 O HIS A 39 -7.913 2.790 3.343 1.00 1.00 O ATOM 169 CB HIS A 39 -5.122 2.875 3.578 1.00 1.00 C ATOM 170 CG HIS A 39 -3.671 3.290 3.625 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.253 4.586 3.376 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.546 2.568 3.894 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.934 4.629 3.493 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.497 3.378 3.813 1.00 1.00 N ATOM 0 H HIS A 39 -5.977 2.113 6.077 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.742 4.651 4.539 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.188 1.801 3.750 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.511 3.062 2.577 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.857 5.374 3.142 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.514 1.515 4.133 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.313 5.503 3.358 1.00 1.00 H new ATOM 182 N PRO A 40 -8.307 4.171 5.078 1.00 1.00 N ATOM 183 CA PRO A 40 -9.749 4.204 4.955 1.00 1.00 C ATOM 184 C PRO A 40 -10.139 5.055 3.755 1.00 1.00 C ATOM 185 O PRO A 40 -9.653 6.179 3.640 1.00 1.00 O ATOM 186 CB PRO A 40 -10.238 4.836 6.257 1.00 1.00 C ATOM 187 CG PRO A 40 -9.052 5.866 6.541 1.00 1.00 C ATOM 188 CD PRO A 40 -7.855 4.989 6.183 1.00 1.00 C ATOM 0 HA PRO A 40 -10.185 3.217 4.800 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -11.201 5.334 6.141 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.352 4.104 7.056 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -9.116 6.759 5.919 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -9.029 6.201 7.578 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.993 5.594 5.900 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.549 4.374 7.030 1.00 1.00 H new ATOM 196 N GLN A 41 -10.993 4.516 2.897 1.00 1.00 N ATOM 197 CA GLN A 41 -11.429 5.243 1.718 1.00 1.00 C ATOM 198 C GLN A 41 -10.235 5.917 1.038 1.00 1.00 C ATOM 199 O GLN A 41 -10.196 7.140 0.912 1.00 1.00 O ATOM 200 CB GLN A 41 -12.507 6.269 2.074 1.00 1.00 C ATOM 201 CG GLN A 41 -13.460 6.493 0.897 1.00 1.00 C ATOM 202 CD GLN A 41 -13.428 7.952 0.437 1.00 1.00 C ATOM 203 OE1 GLN A 41 -13.305 8.876 1.224 1.00 1.00 O ATOM 204 NE2 GLN A 41 -13.546 8.107 -0.878 1.00 1.00 N ATOM 0 H GLN A 41 -11.395 3.584 2.996 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.867 4.532 1.018 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -13.070 5.925 2.942 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -12.038 7.213 2.352 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -13.181 5.841 0.069 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -14.475 6.222 1.189 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -13.646 7.290 -1.481 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -13.537 9.043 -1.284 1.00 1.00 H new ATOM 213 N GLY A 42 -9.290 5.089 0.618 1.00 1.00 N ATOM 214 CA GLY A 42 -8.098 5.589 -0.045 1.00 1.00 C ATOM 215 C GLY A 42 -7.574 6.850 0.645 1.00 1.00 C ATOM 216 O GLY A 42 -6.932 7.687 0.013 1.00 1.00 O ATOM 0 H GLY A 42 -9.326 4.075 0.724 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.325 4.820 -0.040 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -8.323 5.808 -1.089 1.00 1.00 H new ATOM 220 N GLY A 43 -7.867 6.946 1.934 1.00 1.00 N ATOM 221 CA GLY A 43 -7.434 8.090 2.717 1.00 1.00 C ATOM 222 C GLY A 43 -6.341 7.692 3.711 1.00 1.00 C ATOM 223 O GLY A 43 -5.588 6.751 3.466 1.00 1.00 O ATOM 0 H GLY A 43 -8.399 6.249 2.455 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -7.060 8.869 2.053 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -8.284 8.510 3.255 1.00 1.00 H new ATOM 227 N ASN A 44 -6.288 8.430 4.810 1.00 1.00 N ATOM 228 CA ASN A 44 -5.299 8.166 5.841 1.00 1.00 C ATOM 229 C ASN A 44 -5.726 8.854 7.139 1.00 1.00 C ATOM 230 O ASN A 44 -6.241 9.971 7.113 1.00 1.00 O ATOM 231 CB ASN A 44 -3.928 8.715 5.443 1.00 1.00 C ATOM 232 CG ASN A 44 -2.921 7.582 5.239 1.00 1.00 C ATOM 233 OD1 ASN A 44 -3.140 6.445 5.623 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.807 7.953 4.613 1.00 1.00 N ATOM 0 H ASN A 44 -6.914 9.211 5.009 1.00 1.00 H new ATOM 0 HA ASN A 44 -5.230 7.086 5.973 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -4.018 9.296 4.525 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -3.566 9.393 6.216 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -1.074 7.269 4.429 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.687 8.922 4.318 1.00 1.00 H new ATOM 241 N THR A 45 -5.496 8.159 8.244 1.00 1.00 N ATOM 242 CA THR A 45 -5.850 8.690 9.549 1.00 1.00 C ATOM 243 C THR A 45 -4.591 9.087 10.323 1.00 1.00 C ATOM 244 O THR A 45 -4.672 9.481 11.485 1.00 1.00 O ATOM 245 CB THR A 45 -6.701 7.642 10.270 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.932 6.446 10.177 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.991 7.316 9.515 1.00 1.00 C ATOM 0 H THR A 45 -5.069 7.233 8.262 1.00 1.00 H new ATOM 0 HA THR A 45 -6.439 9.603 9.458 1.00 1.00 H new ATOM 0 HB THR A 45 -6.946 7.999 11.270 1.00 1.00 H new ATOM 0 HG1 THR A 45 -6.410 5.715 10.621 1.00 1.00 H new ATOM 0 HG21 THR A 45 -8.558 6.568 10.069 1.00 1.00 H new ATOM 0 HG22 THR A 45 -8.590 8.221 9.411 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.746 6.927 8.527 1.00 1.00 H new ATOM 255 N VAL A 46 -3.458 8.971 9.646 1.00 1.00 N ATOM 256 CA VAL A 46 -2.184 9.313 10.255 1.00 1.00 C ATOM 257 C VAL A 46 -1.633 10.580 9.597 1.00 1.00 C ATOM 258 O VAL A 46 -1.390 11.579 10.273 1.00 1.00 O ATOM 259 CB VAL A 46 -1.224 8.126 10.163 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.117 8.453 10.822 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.845 6.870 10.778 1.00 1.00 C ATOM 0 H VAL A 46 -3.396 8.645 8.682 1.00 1.00 H new ATOM 0 HA VAL A 46 -2.313 9.527 11.316 1.00 1.00 H new ATOM 0 HB VAL A 46 -1.039 7.926 9.108 1.00 1.00 H new ATOM 0 HG11 VAL A 46 0.781 7.592 10.743 1.00 1.00 H new ATOM 0 HG12 VAL A 46 0.570 9.308 10.320 1.00 1.00 H new ATOM 0 HG13 VAL A 46 -0.043 8.692 11.873 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -1.142 6.041 10.700 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -2.074 7.054 11.828 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.762 6.619 10.245 1.00 1.00 H new ATOM 271 N HIS A 47 -1.453 10.497 8.287 1.00 1.00 N ATOM 272 CA HIS A 47 -0.935 11.625 7.531 1.00 1.00 C ATOM 273 C HIS A 47 -1.989 12.096 6.527 1.00 1.00 C ATOM 274 O HIS A 47 -2.412 11.367 5.633 1.00 1.00 O ATOM 275 CB HIS A 47 0.397 11.268 6.868 1.00 1.00 C ATOM 276 CG HIS A 47 1.537 11.084 7.841 1.00 1.00 C ATOM 277 ND1 HIS A 47 1.577 11.199 9.199 1.00 1.00 N flip ATOM 278 CD2 HIS A 47 2.816 10.740 7.440 1.00 1.00 C flip ATOM 279 CE1 HIS A 47 2.813 10.939 9.607 1.00 1.00 C flip ATOM 280 NE2 HIS A 47 3.583 10.655 8.517 1.00 1.00 N flip ATOM 0 H HIS A 47 -1.656 9.667 7.730 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.728 12.456 8.205 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.271 10.350 6.294 1.00 1.00 H new ATOM 0 HB3 HIS A 47 0.661 12.053 6.160 1.00 1.00 H new ATOM 0 HD2 HIS A 47 3.135 10.570 6.422 1.00 1.00 H new ATOM 0 HE1 HIS A 47 3.153 10.950 10.632 1.00 1.00 H new ATOM 0 HE2 HIS A 47 4.575 10.419 8.529 1.00 1.00 H new ATOM 288 N PRO A 48 -2.409 13.352 6.698 1.00 1.00 N ATOM 289 CA PRO A 48 -3.397 14.003 5.865 1.00 1.00 C ATOM 290 C PRO A 48 -2.712 14.648 4.669 1.00 1.00 C ATOM 291 O PRO A 48 -3.349 15.438 3.974 1.00 1.00 O ATOM 292 CB PRO A 48 -4.035 15.058 6.766 1.00 1.00 C ATOM 293 CG PRO A 48 -2.762 15.511 7.583 1.00 1.00 C ATOM 294 CD PRO A 48 -1.933 14.238 7.738 1.00 1.00 C ATOM 0 HA PRO A 48 -4.141 13.311 5.470 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.482 15.876 6.201 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.817 14.646 7.404 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -2.206 16.285 7.054 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -3.039 15.924 8.553 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.869 14.444 7.624 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -2.069 13.796 8.725 1.00 1.00 H new ATOM 302 N GLU A 49 -1.449 14.310 4.454 1.00 1.00 N ATOM 303 CA GLU A 49 -0.703 14.871 3.340 1.00 1.00 C ATOM 304 C GLU A 49 -0.076 13.753 2.506 1.00 1.00 C ATOM 305 O GLU A 49 0.631 14.020 1.535 1.00 1.00 O ATOM 306 CB GLU A 49 0.363 15.852 3.833 1.00 1.00 C ATOM 307 CG GLU A 49 -0.204 16.784 4.906 1.00 1.00 C ATOM 308 CD GLU A 49 -0.464 18.181 4.337 1.00 1.00 C ATOM 309 OE1 GLU A 49 0.256 19.132 4.677 1.00 1.00 O ATOM 310 OE2 GLU A 49 -1.453 18.258 3.513 1.00 1.00 O ATOM 0 H GLU A 49 -0.923 13.655 5.032 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.395 15.426 2.706 1.00 1.00 H new ATOM 0 HB2 GLU A 49 1.211 15.300 4.237 1.00 1.00 H new ATOM 0 HB3 GLU A 49 0.736 16.441 2.995 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -1.132 16.369 5.300 1.00 1.00 H new ATOM 0 HG3 GLU A 49 0.494 16.851 5.740 1.00 1.00 H new ATOM 318 N LYS A 50 -0.356 12.524 2.914 1.00 1.00 N ATOM 319 CA LYS A 50 0.172 11.364 2.216 1.00 1.00 C ATOM 320 C LYS A 50 -0.969 10.388 1.921 1.00 1.00 C ATOM 321 O LYS A 50 -1.274 9.520 2.737 1.00 1.00 O ATOM 322 CB LYS A 50 1.325 10.742 3.006 1.00 1.00 C ATOM 323 CG LYS A 50 2.354 11.803 3.402 1.00 1.00 C ATOM 324 CD LYS A 50 3.485 11.880 2.375 1.00 1.00 C ATOM 325 CE LYS A 50 3.192 12.944 1.316 1.00 1.00 C ATOM 326 NZ LYS A 50 4.287 13.002 0.322 1.00 1.00 N ATOM 0 H LYS A 50 -0.942 12.306 3.720 1.00 1.00 H new ATOM 0 HA LYS A 50 0.596 11.658 1.256 1.00 1.00 H new ATOM 0 HB2 LYS A 50 0.937 10.255 3.901 1.00 1.00 H new ATOM 0 HB3 LYS A 50 1.806 9.969 2.406 1.00 1.00 H new ATOM 0 HG2 LYS A 50 1.867 12.774 3.485 1.00 1.00 H new ATOM 0 HG3 LYS A 50 2.765 11.568 4.384 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.423 12.112 2.879 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.612 10.910 1.895 1.00 1.00 H new ATOM 0 HE2 LYS A 50 2.250 12.718 0.816 1.00 1.00 H new ATOM 0 HE3 LYS A 50 3.074 13.917 1.793 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 4.072 13.729 -0.389 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 5.179 13.240 0.801 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 4.381 12.078 -0.145 1.00 1.00 H new ATOM 339 N THR A 51 -1.568 10.564 0.752 1.00 1.00 N ATOM 340 CA THR A 51 -2.668 9.709 0.340 1.00 1.00 C ATOM 341 C THR A 51 -2.182 8.660 -0.661 1.00 1.00 C ATOM 342 O THR A 51 -0.980 8.503 -0.867 1.00 1.00 O ATOM 343 CB THR A 51 -3.781 10.604 -0.210 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.222 11.166 -1.393 1.00 1.00 O ATOM 345 CG2 THR A 51 -4.055 11.815 0.685 1.00 1.00 C ATOM 0 H THR A 51 -1.312 11.286 0.078 1.00 1.00 H new ATOM 0 HA THR A 51 -3.069 9.147 1.183 1.00 1.00 H new ATOM 0 HB THR A 51 -4.695 10.020 -0.320 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.878 11.759 -1.815 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.853 12.416 0.249 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.357 11.475 1.675 1.00 1.00 H new ATOM 0 HG23 THR A 51 -3.151 12.418 0.769 1.00 1.00 H new ATOM 353 N LEU A 52 -3.142 7.968 -1.258 1.00 1.00 N ATOM 354 CA LEU A 52 -2.827 6.938 -2.233 1.00 1.00 C ATOM 355 C LEU A 52 -2.927 7.527 -3.641 1.00 1.00 C ATOM 356 O LEU A 52 -3.078 6.792 -4.616 1.00 1.00 O ATOM 357 CB LEU A 52 -3.711 5.707 -2.016 1.00 1.00 C ATOM 358 CG LEU A 52 -3.549 4.994 -0.673 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.432 3.746 -0.605 1.00 1.00 C ATOM 360 CD2 LEU A 52 -2.079 4.671 -0.396 1.00 1.00 C ATOM 0 H LEU A 52 -4.138 8.101 -1.085 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.801 6.592 -2.104 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.753 6.009 -2.121 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.505 4.991 -2.812 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.884 5.670 0.114 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -4.298 3.258 0.360 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.477 4.033 -0.725 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -4.151 3.058 -1.402 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.993 4.164 0.565 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.694 4.023 -1.184 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.502 5.595 -0.372 1.00 1.00 H new ATOM 372 N ALA A 53 -2.839 8.847 -3.703 1.00 1.00 N ATOM 373 CA ALA A 53 -2.918 9.543 -4.976 1.00 1.00 C ATOM 374 C ALA A 53 -1.614 9.334 -5.749 1.00 1.00 C ATOM 375 O ALA A 53 -0.529 9.534 -5.206 1.00 1.00 O ATOM 376 CB ALA A 53 -3.220 11.023 -4.732 1.00 1.00 C ATOM 0 H ALA A 53 -2.714 9.453 -2.892 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.729 9.141 -5.583 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.279 11.545 -5.687 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.170 11.119 -4.207 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.426 11.462 -4.128 1.00 1.00 H new ATOM 382 N ARG A 54 -1.764 8.935 -7.003 1.00 1.00 N ATOM 383 CA ARG A 54 -0.612 8.696 -7.855 1.00 1.00 C ATOM 384 C ARG A 54 0.237 9.964 -7.967 1.00 1.00 C ATOM 385 O ARG A 54 1.455 9.889 -8.127 1.00 1.00 O ATOM 386 CB ARG A 54 -1.044 8.256 -9.255 1.00 1.00 C ATOM 387 CG ARG A 54 0.147 7.721 -10.053 1.00 1.00 C ATOM 388 CD ARG A 54 0.126 8.248 -11.490 1.00 1.00 C ATOM 389 NE ARG A 54 1.377 7.873 -12.185 1.00 1.00 N ATOM 390 CZ ARG A 54 1.893 8.550 -13.233 1.00 1.00 C ATOM 391 NH1 ARG A 54 3.017 8.125 -13.779 1.00 1.00 N ATOM 392 NH2 ARG A 54 1.268 9.645 -13.716 1.00 1.00 N ATOM 0 H ARG A 54 -2.666 8.771 -7.450 1.00 1.00 H new ATOM 0 HA ARG A 54 -0.024 7.899 -7.401 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.810 7.485 -9.177 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.491 9.098 -9.783 1.00 1.00 H new ATOM 0 HG2 ARG A 54 1.077 8.016 -9.567 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.124 6.631 -10.061 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -0.732 7.840 -12.023 1.00 1.00 H new ATOM 0 HD3 ARG A 54 0.013 9.332 -11.487 1.00 1.00 H new ATOM 0 HE ARG A 54 1.881 7.051 -11.852 1.00 1.00 H new ATOM 0 HH11 ARG A 54 3.483 7.296 -13.409 1.00 1.00 H new ATOM 0 HH12 ARG A 54 3.420 8.625 -14.571 1.00 1.00 H new ATOM 0 HH21 ARG A 54 0.399 9.966 -13.289 1.00 1.00 H new ATOM 0 HH22 ARG A 54 1.665 10.151 -14.508 1.00 1.00 H new ATOM 402 N ALA A 55 -0.438 11.101 -7.878 1.00 1.00 N ATOM 403 CA ALA A 55 0.239 12.383 -7.966 1.00 1.00 C ATOM 404 C ALA A 55 1.405 12.409 -6.977 1.00 1.00 C ATOM 405 O ALA A 55 2.532 12.734 -7.348 1.00 1.00 O ATOM 406 CB ALA A 55 -0.766 13.509 -7.714 1.00 1.00 C ATOM 0 H ALA A 55 -1.448 11.160 -7.746 1.00 1.00 H new ATOM 0 HA ALA A 55 0.651 12.532 -8.964 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.258 14.471 -7.780 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.558 13.464 -8.462 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.199 13.395 -6.720 1.00 1.00 H new ATOM 412 N ARG A 56 1.095 12.061 -5.736 1.00 1.00 N ATOM 413 CA ARG A 56 2.103 12.041 -4.691 1.00 1.00 C ATOM 414 C ARG A 56 3.032 10.838 -4.872 1.00 1.00 C ATOM 415 O ARG A 56 4.170 10.853 -4.407 1.00 1.00 O ATOM 416 CB ARG A 56 1.458 11.973 -3.305 1.00 1.00 C ATOM 417 CG ARG A 56 0.428 13.089 -3.125 1.00 1.00 C ATOM 418 CD ARG A 56 1.040 14.290 -2.400 1.00 1.00 C ATOM 419 NE ARG A 56 -0.030 15.206 -1.945 1.00 1.00 N ATOM 420 CZ ARG A 56 -0.939 14.896 -0.996 1.00 1.00 C ATOM 421 NH1 ARG A 56 -1.851 15.792 -0.668 1.00 1.00 N ATOM 422 NH2 ARG A 56 -0.915 13.689 -0.393 1.00 1.00 N ATOM 0 H ARG A 56 0.160 11.791 -5.432 1.00 1.00 H new ATOM 0 HA ARG A 56 2.678 12.964 -4.768 1.00 1.00 H new ATOM 0 HB2 ARG A 56 0.977 11.004 -3.171 1.00 1.00 H new ATOM 0 HB3 ARG A 56 2.227 12.056 -2.537 1.00 1.00 H new ATOM 0 HG2 ARG A 56 0.051 13.401 -4.099 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -0.424 12.714 -2.559 1.00 1.00 H new ATOM 0 HD2 ARG A 56 1.626 13.950 -1.546 1.00 1.00 H new ATOM 0 HD3 ARG A 56 1.723 14.818 -3.066 1.00 1.00 H new ATOM 0 HE ARG A 56 -0.084 16.129 -2.375 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -1.861 16.702 -1.129 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -2.545 15.575 0.047 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -0.206 13.003 -0.653 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -1.605 13.463 0.323 1.00 1.00 H new ATOM 432 N ARG A 57 2.511 9.826 -5.550 1.00 1.00 N ATOM 433 CA ARG A 57 3.279 8.618 -5.800 1.00 1.00 C ATOM 434 C ARG A 57 4.378 8.891 -6.828 1.00 1.00 C ATOM 435 O ARG A 57 5.188 8.013 -7.124 1.00 1.00 O ATOM 436 CB ARG A 57 2.381 7.490 -6.310 1.00 1.00 C ATOM 437 CG ARG A 57 1.350 7.089 -5.253 1.00 1.00 C ATOM 438 CD ARG A 57 1.173 5.570 -5.208 1.00 1.00 C ATOM 439 NE ARG A 57 0.225 5.139 -6.260 1.00 1.00 N ATOM 440 CZ ARG A 57 -0.005 3.851 -6.591 1.00 1.00 C ATOM 441 NH1 ARG A 57 -0.874 3.581 -7.547 1.00 1.00 N ATOM 442 NH2 ARG A 57 0.645 2.854 -5.954 1.00 1.00 N ATOM 0 H ARG A 57 1.566 9.818 -5.934 1.00 1.00 H new ATOM 0 HA ARG A 57 3.729 8.310 -4.856 1.00 1.00 H new ATOM 0 HB2 ARG A 57 1.870 7.810 -7.218 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.991 6.626 -6.574 1.00 1.00 H new ATOM 0 HG2 ARG A 57 1.667 7.451 -4.275 1.00 1.00 H new ATOM 0 HG3 ARG A 57 0.394 7.564 -5.474 1.00 1.00 H new ATOM 0 HD2 ARG A 57 2.136 5.079 -5.351 1.00 1.00 H new ATOM 0 HD3 ARG A 57 0.804 5.268 -4.228 1.00 1.00 H new ATOM 0 HE ARG A 57 -0.287 5.861 -6.767 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -1.360 4.340 -8.024 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -1.059 2.613 -7.809 1.00 1.00 H new ATOM 0 HH21 ARG A 57 1.315 3.072 -5.217 1.00 1.00 H new ATOM 0 HH22 ARG A 57 0.466 1.883 -6.210 1.00 1.00 H new ATOM 452 N GLU A 58 4.371 10.111 -7.346 1.00 1.00 N ATOM 453 CA GLU A 58 5.357 10.509 -8.335 1.00 1.00 C ATOM 454 C GLU A 58 6.627 11.012 -7.646 1.00 1.00 C ATOM 455 O GLU A 58 7.732 10.595 -7.992 1.00 1.00 O ATOM 456 CB GLU A 58 4.789 11.572 -9.279 1.00 1.00 C ATOM 457 CG GLU A 58 5.105 12.980 -8.773 1.00 1.00 C ATOM 458 CD GLU A 58 4.613 14.041 -9.759 1.00 1.00 C ATOM 459 OE1 GLU A 58 3.397 14.208 -9.935 1.00 1.00 O ATOM 460 OE2 GLU A 58 5.545 14.705 -10.355 1.00 1.00 O ATOM 0 H GLU A 58 3.698 10.836 -7.099 1.00 1.00 H new ATOM 0 HA GLU A 58 5.613 9.636 -8.935 1.00 1.00 H new ATOM 0 HB2 GLU A 58 5.207 11.438 -10.277 1.00 1.00 H new ATOM 0 HB3 GLU A 58 3.710 11.447 -9.366 1.00 1.00 H new ATOM 0 HG2 GLU A 58 4.635 13.135 -7.802 1.00 1.00 H new ATOM 0 HG3 GLU A 58 6.180 13.085 -8.627 1.00 1.00 H new ATOM 468 N ALA A 59 6.428 11.899 -6.683 1.00 1.00 N ATOM 469 CA ALA A 59 7.544 12.462 -5.942 1.00 1.00 C ATOM 470 C ALA A 59 8.346 11.330 -5.297 1.00 1.00 C ATOM 471 O ALA A 59 9.562 11.252 -5.464 1.00 1.00 O ATOM 472 CB ALA A 59 7.019 13.465 -4.912 1.00 1.00 C ATOM 0 H ALA A 59 5.511 12.242 -6.398 1.00 1.00 H new ATOM 0 HA ALA A 59 8.215 13.002 -6.610 1.00 1.00 H new ATOM 0 HB1 ALA A 59 7.856 13.887 -4.356 1.00 1.00 H new ATOM 0 HB2 ALA A 59 6.483 14.264 -5.423 1.00 1.00 H new ATOM 0 HB3 ALA A 59 6.344 12.958 -4.222 1.00 1.00 H new ATOM 478 N ASN A 60 7.632 10.481 -4.572 1.00 1.00 N ATOM 479 CA ASN A 60 8.262 9.356 -3.901 1.00 1.00 C ATOM 480 C ASN A 60 8.600 8.277 -4.932 1.00 1.00 C ATOM 481 O ASN A 60 9.603 7.578 -4.798 1.00 1.00 O ATOM 482 CB ASN A 60 7.324 8.740 -2.861 1.00 1.00 C ATOM 483 CG ASN A 60 7.293 9.582 -1.584 1.00 1.00 C ATOM 484 OD1 ASN A 60 7.172 10.888 -1.800 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 7.374 9.078 -0.476 1.00 1.00 N flip ATOM 0 H ASN A 60 6.624 10.549 -4.435 1.00 1.00 H new ATOM 0 HA ASN A 60 9.162 9.720 -3.404 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.318 8.662 -3.274 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.651 7.727 -2.625 1.00 1.00 H new ATOM 0 HD21 ASN A 60 7.465 8.067 -0.381 1.00 1.00 H new ATOM 0 HD22 ASN A 60 7.350 9.668 0.356 1.00 1.00 H new ATOM 492 N GLY A 61 7.743 8.175 -5.937 1.00 1.00 N ATOM 493 CA GLY A 61 7.938 7.193 -6.990 1.00 1.00 C ATOM 494 C GLY A 61 7.344 5.839 -6.594 1.00 1.00 C ATOM 495 O GLY A 61 8.068 4.941 -6.167 1.00 1.00 O ATOM 0 H GLY A 61 6.912 8.756 -6.044 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.471 7.544 -7.910 1.00 1.00 H new ATOM 0 HA3 GLY A 61 9.003 7.081 -7.195 1.00 1.00 H new ATOM 499 N ILE A 62 6.032 5.736 -6.750 1.00 1.00 N ATOM 500 CA ILE A 62 5.333 4.508 -6.414 1.00 1.00 C ATOM 501 C ILE A 62 4.251 4.239 -7.461 1.00 1.00 C ATOM 502 O ILE A 62 3.063 4.218 -7.140 1.00 1.00 O ATOM 503 CB ILE A 62 4.801 4.569 -4.981 1.00 1.00 C ATOM 504 CG1 ILE A 62 5.918 4.918 -3.995 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.090 3.268 -4.604 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.553 4.480 -2.575 1.00 1.00 C ATOM 0 H ILE A 62 5.435 6.483 -7.105 1.00 1.00 H new ATOM 0 HA ILE A 62 6.018 3.661 -6.439 1.00 1.00 H new ATOM 0 HB ILE A 62 4.062 5.368 -4.926 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.844 4.432 -4.302 1.00 1.00 H new ATOM 0 HG13 ILE A 62 6.101 5.992 -4.012 1.00 1.00 H new ATOM 0 HG21 ILE A 62 3.722 3.338 -3.581 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.252 3.102 -5.281 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.789 2.436 -4.682 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.364 4.740 -1.894 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.640 4.986 -2.262 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.395 3.402 -2.556 1.00 1.00 H new ATOM 518 N ARG A 63 4.699 4.042 -8.692 1.00 1.00 N ATOM 519 CA ARG A 63 3.783 3.776 -9.788 1.00 1.00 C ATOM 520 C ARG A 63 4.035 2.380 -10.363 1.00 1.00 C ATOM 521 O ARG A 63 4.256 2.230 -11.564 1.00 1.00 O ATOM 522 CB ARG A 63 3.940 4.814 -10.901 1.00 1.00 C ATOM 523 CG ARG A 63 4.291 6.187 -10.325 1.00 1.00 C ATOM 524 CD ARG A 63 5.738 6.564 -10.648 1.00 1.00 C ATOM 525 NE ARG A 63 6.648 6.005 -9.623 1.00 1.00 N ATOM 526 CZ ARG A 63 7.945 5.705 -9.846 1.00 1.00 C ATOM 527 NH1 ARG A 63 8.666 5.209 -8.858 1.00 1.00 N ATOM 528 NH2 ARG A 63 8.497 5.907 -11.062 1.00 1.00 N ATOM 0 H ARG A 63 5.684 4.061 -8.955 1.00 1.00 H new ATOM 0 HA ARG A 63 2.768 3.833 -9.394 1.00 1.00 H new ATOM 0 HB2 ARG A 63 4.720 4.496 -11.593 1.00 1.00 H new ATOM 0 HB3 ARG A 63 3.015 4.882 -11.473 1.00 1.00 H new ATOM 0 HG2 ARG A 63 3.616 6.940 -10.732 1.00 1.00 H new ATOM 0 HG3 ARG A 63 4.146 6.180 -9.245 1.00 1.00 H new ATOM 0 HD2 ARG A 63 6.010 6.185 -11.633 1.00 1.00 H new ATOM 0 HD3 ARG A 63 5.840 7.649 -10.684 1.00 1.00 H new ATOM 0 HE ARG A 63 6.272 5.836 -8.690 1.00 1.00 H new ATOM 0 HH11 ARG A 63 8.242 5.058 -7.943 1.00 1.00 H new ATOM 0 HH12 ARG A 63 9.648 4.977 -9.010 1.00 1.00 H new ATOM 0 HH21 ARG A 63 7.933 6.289 -11.821 1.00 1.00 H new ATOM 0 HH22 ARG A 63 9.478 5.677 -11.221 1.00 1.00 H new ATOM 538 N THR A 64 3.993 1.394 -9.479 1.00 1.00 N ATOM 539 CA THR A 64 4.213 0.016 -9.883 1.00 1.00 C ATOM 540 C THR A 64 3.571 -0.943 -8.880 1.00 1.00 C ATOM 541 O THR A 64 3.416 -0.608 -7.707 1.00 1.00 O ATOM 542 CB THR A 64 5.720 -0.193 -10.046 1.00 1.00 C ATOM 543 OG1 THR A 64 6.269 0.266 -8.814 1.00 1.00 O ATOM 544 CG2 THR A 64 6.331 0.737 -11.096 1.00 1.00 C ATOM 0 H THR A 64 3.810 1.522 -8.484 1.00 1.00 H new ATOM 0 HA THR A 64 3.735 -0.197 -10.839 1.00 1.00 H new ATOM 0 HB THR A 64 5.914 -1.229 -10.323 1.00 1.00 H new ATOM 0 HG1 THR A 64 6.622 1.173 -8.931 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.402 0.547 -11.171 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.861 0.554 -12.062 1.00 1.00 H new ATOM 0 HG23 THR A 64 6.166 1.774 -10.803 1.00 1.00 H new ATOM 552 N VAL A 65 3.215 -2.118 -9.378 1.00 1.00 N ATOM 553 CA VAL A 65 2.593 -3.129 -8.539 1.00 1.00 C ATOM 554 C VAL A 65 3.606 -3.619 -7.502 1.00 1.00 C ATOM 555 O VAL A 65 3.334 -3.591 -6.303 1.00 1.00 O ATOM 556 CB VAL A 65 2.033 -4.258 -9.407 1.00 1.00 C ATOM 557 CG1 VAL A 65 1.701 -5.488 -8.560 1.00 1.00 C ATOM 558 CG2 VAL A 65 0.809 -3.787 -10.196 1.00 1.00 C ATOM 0 H VAL A 65 3.345 -2.393 -10.352 1.00 1.00 H new ATOM 0 HA VAL A 65 1.749 -2.706 -7.995 1.00 1.00 H new ATOM 0 HB VAL A 65 2.803 -4.544 -10.123 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.305 -6.275 -9.201 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.605 -5.844 -8.065 1.00 1.00 H new ATOM 0 HG13 VAL A 65 0.957 -5.223 -7.809 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.430 -4.608 -10.805 1.00 1.00 H new ATOM 0 HG22 VAL A 65 0.033 -3.461 -9.503 1.00 1.00 H new ATOM 0 HG23 VAL A 65 1.091 -2.956 -10.843 1.00 1.00 H new ATOM 568 N ARG A 66 4.752 -4.056 -8.002 1.00 1.00 N ATOM 569 CA ARG A 66 5.807 -4.551 -7.134 1.00 1.00 C ATOM 570 C ARG A 66 6.008 -3.604 -5.949 1.00 1.00 C ATOM 571 O ARG A 66 5.782 -3.984 -4.801 1.00 1.00 O ATOM 572 CB ARG A 66 7.127 -4.692 -7.896 1.00 1.00 C ATOM 573 CG ARG A 66 7.078 -5.875 -8.864 1.00 1.00 C ATOM 574 CD ARG A 66 8.354 -5.948 -9.705 1.00 1.00 C ATOM 575 NE ARG A 66 8.078 -6.640 -10.984 1.00 1.00 N ATOM 576 CZ ARG A 66 7.603 -6.027 -12.089 1.00 1.00 C ATOM 577 NH1 ARG A 66 7.393 -6.743 -13.178 1.00 1.00 N ATOM 578 NH2 ARG A 66 7.347 -4.702 -12.081 1.00 1.00 N ATOM 0 H ARG A 66 4.973 -4.078 -8.997 1.00 1.00 H new ATOM 0 HA ARG A 66 5.504 -5.533 -6.771 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.332 -3.775 -8.448 1.00 1.00 H new ATOM 0 HB3 ARG A 66 7.946 -4.829 -7.190 1.00 1.00 H new ATOM 0 HG2 ARG A 66 6.953 -6.802 -8.305 1.00 1.00 H new ATOM 0 HG3 ARG A 66 6.212 -5.778 -9.519 1.00 1.00 H new ATOM 0 HD2 ARG A 66 8.729 -4.943 -9.899 1.00 1.00 H new ATOM 0 HD3 ARG A 66 9.132 -6.478 -9.156 1.00 1.00 H new ATOM 0 HE ARG A 66 8.258 -7.643 -11.034 1.00 1.00 H new ATOM 0 HH11 ARG A 66 7.589 -7.744 -13.176 1.00 1.00 H new ATOM 0 HH12 ARG A 66 7.034 -6.295 -14.021 1.00 1.00 H new ATOM 0 HH21 ARG A 66 7.512 -4.156 -11.236 1.00 1.00 H new ATOM 0 HH22 ARG A 66 6.988 -4.247 -12.920 1.00 1.00 H new ATOM 588 N ASP A 67 6.430 -2.390 -6.269 1.00 1.00 N ATOM 589 CA ASP A 67 6.664 -1.385 -5.245 1.00 1.00 C ATOM 590 C ASP A 67 5.638 -1.558 -4.123 1.00 1.00 C ATOM 591 O ASP A 67 5.968 -1.412 -2.947 1.00 1.00 O ATOM 592 CB ASP A 67 6.510 0.027 -5.813 1.00 1.00 C ATOM 593 CG ASP A 67 7.764 0.596 -6.479 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.701 -0.144 -6.815 1.00 1.00 O ATOM 595 OD2 ASP A 67 7.757 1.874 -6.653 1.00 1.00 O ATOM 0 H ASP A 67 6.616 -2.079 -7.222 1.00 1.00 H new ATOM 0 HA ASP A 67 7.680 -1.514 -4.872 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.700 0.023 -6.542 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.210 0.696 -5.007 1.00 1.00 H new ATOM 601 N VAL A 68 4.414 -1.866 -4.527 1.00 1.00 N ATOM 602 CA VAL A 68 3.338 -2.060 -3.570 1.00 1.00 C ATOM 603 C VAL A 68 3.312 -3.524 -3.128 1.00 1.00 C ATOM 604 O VAL A 68 2.278 -4.185 -3.213 1.00 1.00 O ATOM 605 CB VAL A 68 2.011 -1.595 -4.174 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.878 -1.696 -3.151 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.128 -0.173 -4.725 1.00 1.00 C ATOM 0 H VAL A 68 4.144 -1.986 -5.503 1.00 1.00 H new ATOM 0 HA VAL A 68 3.505 -1.454 -2.679 1.00 1.00 H new ATOM 0 HB VAL A 68 1.771 -2.257 -5.006 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -0.054 -1.360 -3.606 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.771 -2.731 -2.828 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.109 -1.069 -2.290 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.171 0.133 -5.148 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.403 0.508 -3.919 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.893 -0.145 -5.500 1.00 1.00 H new ATOM 617 N ALA A 69 4.463 -3.989 -2.665 1.00 1.00 N ATOM 618 CA ALA A 69 4.586 -5.364 -2.209 1.00 1.00 C ATOM 619 C ALA A 69 5.925 -5.540 -1.491 1.00 1.00 C ATOM 620 O ALA A 69 5.999 -6.210 -0.461 1.00 1.00 O ATOM 621 CB ALA A 69 4.433 -6.312 -3.399 1.00 1.00 C ATOM 0 H ALA A 69 5.319 -3.438 -2.596 1.00 1.00 H new ATOM 0 HA ALA A 69 3.796 -5.605 -1.497 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.525 -7.343 -3.057 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.454 -6.167 -3.856 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.211 -6.102 -4.133 1.00 1.00 H new ATOM 627 N ALA A 70 6.952 -4.928 -2.062 1.00 1.00 N ATOM 628 CA ALA A 70 8.285 -5.009 -1.490 1.00 1.00 C ATOM 629 C ALA A 70 8.379 -4.062 -0.291 1.00 1.00 C ATOM 630 O ALA A 70 8.538 -4.475 0.856 1.00 1.00 O ATOM 631 CB ALA A 70 9.324 -4.691 -2.567 1.00 1.00 C ATOM 0 H ALA A 70 6.888 -4.373 -2.916 1.00 1.00 H new ATOM 0 HA ALA A 70 8.487 -6.018 -1.130 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.324 -4.752 -2.137 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.235 -5.409 -3.382 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.155 -3.685 -2.950 1.00 1.00 H new ATOM 637 N TYR A 71 8.276 -2.765 -0.588 1.00 1.00 N ATOM 638 CA TYR A 71 8.347 -1.741 0.435 1.00 1.00 C ATOM 639 C TYR A 71 7.490 -2.141 1.627 1.00 1.00 C ATOM 640 O TYR A 71 8.003 -2.173 2.744 1.00 1.00 O ATOM 641 CB TYR A 71 7.878 -0.410 -0.147 1.00 1.00 C ATOM 642 CG TYR A 71 9.004 0.555 -0.429 1.00 1.00 C ATOM 643 CD1 TYR A 71 10.050 0.181 -1.281 1.00 1.00 C ATOM 644 CD2 TYR A 71 9.002 1.825 0.161 1.00 1.00 C ATOM 645 CE1 TYR A 71 11.094 1.076 -1.543 1.00 1.00 C ATOM 646 CE2 TYR A 71 10.046 2.720 -0.101 1.00 1.00 C ATOM 647 CZ TYR A 71 11.092 2.346 -0.953 1.00 1.00 C ATOM 648 OH TYR A 71 12.108 3.218 -1.209 1.00 1.00 O ATOM 0 H TYR A 71 8.143 -2.407 -1.534 1.00 1.00 H new ATOM 0 HA TYR A 71 9.377 -1.632 0.775 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.332 -0.599 -1.071 1.00 1.00 H new ATOM 0 HB3 TYR A 71 7.178 0.054 0.547 1.00 1.00 H new ATOM 0 HD1 TYR A 71 10.051 -0.798 -1.736 1.00 1.00 H new ATOM 0 HD2 TYR A 71 8.195 2.114 0.818 1.00 1.00 H new ATOM 0 HE1 TYR A 71 11.901 0.787 -2.200 1.00 1.00 H new ATOM 0 HE2 TYR A 71 10.045 3.699 0.354 1.00 1.00 H new ATOM 0 HH TYR A 71 11.952 4.054 -0.722 1.00 1.00 H new ATOM 658 N ILE A 72 6.222 -2.434 1.375 1.00 1.00 N ATOM 659 CA ILE A 72 5.319 -2.828 2.442 1.00 1.00 C ATOM 660 C ILE A 72 6.051 -3.764 3.405 1.00 1.00 C ATOM 661 O ILE A 72 5.830 -3.713 4.614 1.00 1.00 O ATOM 662 CB ILE A 72 4.034 -3.425 1.863 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.341 -4.638 0.983 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.226 -2.364 1.114 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.242 -5.696 1.105 1.00 1.00 C ATOM 0 H ILE A 72 5.799 -2.406 0.447 1.00 1.00 H new ATOM 0 HA ILE A 72 5.008 -1.957 3.018 1.00 1.00 H new ATOM 0 HB ILE A 72 3.417 -3.775 2.690 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.434 -4.323 -0.056 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.299 -5.069 1.273 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.318 -2.814 0.713 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.960 -1.559 1.799 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.824 -1.962 0.296 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.485 -6.548 0.469 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.168 -6.026 2.141 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.289 -5.269 0.791 1.00 1.00 H new ATOM 677 N ARG A 73 6.910 -4.595 2.834 1.00 1.00 N ATOM 678 CA ARG A 73 7.677 -5.541 3.627 1.00 1.00 C ATOM 679 C ARG A 73 8.524 -4.800 4.663 1.00 1.00 C ATOM 680 O ARG A 73 8.357 -5.000 5.865 1.00 1.00 O ATOM 681 CB ARG A 73 8.592 -6.388 2.741 1.00 1.00 C ATOM 682 CG ARG A 73 9.099 -7.620 3.495 1.00 1.00 C ATOM 683 CD ARG A 73 8.966 -8.880 2.638 1.00 1.00 C ATOM 684 NE ARG A 73 10.274 -9.566 2.542 1.00 1.00 N ATOM 685 CZ ARG A 73 10.616 -10.407 1.543 1.00 1.00 C ATOM 686 NH1 ARG A 73 11.812 -10.965 1.558 1.00 1.00 N ATOM 687 NH2 ARG A 73 9.748 -10.672 0.544 1.00 1.00 N ATOM 0 H ARG A 73 7.092 -4.633 1.831 1.00 1.00 H new ATOM 0 HA ARG A 73 6.971 -6.199 4.133 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.051 -6.701 1.848 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.438 -5.788 2.407 1.00 1.00 H new ATOM 0 HG2 ARG A 73 10.142 -7.475 3.776 1.00 1.00 H new ATOM 0 HG3 ARG A 73 8.534 -7.743 4.419 1.00 1.00 H new ATOM 0 HD2 ARG A 73 8.225 -9.550 3.074 1.00 1.00 H new ATOM 0 HD3 ARG A 73 8.610 -8.617 1.642 1.00 1.00 H new ATOM 0 HE ARG A 73 10.960 -9.392 3.277 1.00 1.00 H new ATOM 0 HH11 ARG A 73 12.462 -10.758 2.317 1.00 1.00 H new ATOM 0 HH12 ARG A 73 12.087 -11.603 0.811 1.00 1.00 H new ATOM 0 HH21 ARG A 73 8.826 -10.236 0.540 1.00 1.00 H new ATOM 0 HH22 ARG A 73 10.014 -11.309 -0.207 1.00 1.00 H new ATOM 697 N ASN A 74 9.416 -3.959 4.160 1.00 1.00 N ATOM 698 CA ASN A 74 10.290 -3.188 5.027 1.00 1.00 C ATOM 699 C ASN A 74 10.191 -1.707 4.655 1.00 1.00 C ATOM 700 O ASN A 74 11.069 -1.135 4.013 1.00 1.00 O ATOM 701 CB ASN A 74 11.749 -3.619 4.864 1.00 1.00 C ATOM 702 CG ASN A 74 12.548 -3.342 6.139 1.00 1.00 C ATOM 703 OD1 ASN A 74 13.474 -2.548 6.161 1.00 1.00 O ATOM 704 ND2 ASN A 74 12.140 -4.040 7.195 1.00 1.00 N ATOM 0 H ASN A 74 9.552 -3.795 3.163 1.00 1.00 H new ATOM 0 HA ASN A 74 9.977 -3.357 6.057 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.794 -4.682 4.626 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.198 -3.086 4.026 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.610 -3.927 8.093 1.00 1.00 H new ATOM 0 HD22 ASN A 74 11.357 -4.688 7.107 1.00 1.00 H new ATOM 711 N PRO A 75 9.085 -1.091 5.081 1.00 1.00 N ATOM 712 CA PRO A 75 8.787 0.305 4.845 1.00 1.00 C ATOM 713 C PRO A 75 9.456 1.158 5.913 1.00 1.00 C ATOM 714 O PRO A 75 10.050 0.599 6.833 1.00 1.00 O ATOM 715 CB PRO A 75 7.266 0.402 4.939 1.00 1.00 C ATOM 716 CG PRO A 75 6.884 -0.727 5.846 1.00 1.00 C ATOM 717 CD PRO A 75 8.033 -1.733 5.838 1.00 1.00 C ATOM 0 HA PRO A 75 9.152 0.660 3.881 1.00 1.00 H new ATOM 0 HB2 PRO A 75 6.952 1.364 5.345 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.799 0.302 3.959 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.702 -0.362 6.857 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.961 -1.197 5.505 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.361 -1.966 6.851 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.732 -2.673 5.376 1.00 1.00 H new ATOM 725 N GLY A 76 9.352 2.472 5.775 1.00 1.00 N ATOM 726 CA GLY A 76 9.955 3.375 6.740 1.00 1.00 C ATOM 727 C GLY A 76 8.987 3.683 7.884 1.00 1.00 C ATOM 728 O GLY A 76 7.900 3.120 7.988 1.00 1.00 O ATOM 0 H GLY A 76 8.859 2.932 5.010 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.866 2.930 7.140 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.244 4.302 6.244 1.00 1.00 H new ATOM 732 N PRO A 77 9.414 4.603 8.752 1.00 1.00 N ATOM 733 CA PRO A 77 8.661 5.047 9.906 1.00 1.00 C ATOM 734 C PRO A 77 7.301 5.564 9.460 1.00 1.00 C ATOM 735 O PRO A 77 7.173 5.983 8.310 1.00 1.00 O ATOM 736 CB PRO A 77 9.501 6.169 10.513 1.00 1.00 C ATOM 737 CG PRO A 77 10.879 5.946 10.023 1.00 1.00 C ATOM 738 CD PRO A 77 10.687 5.284 8.661 1.00 1.00 C ATOM 0 HA PRO A 77 8.478 4.249 10.626 1.00 1.00 H new ATOM 0 HB2 PRO A 77 9.129 7.147 10.206 1.00 1.00 H new ATOM 0 HB3 PRO A 77 9.463 6.141 11.602 1.00 1.00 H new ATOM 0 HG2 PRO A 77 11.428 6.884 9.937 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.445 5.307 10.701 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.683 6.023 7.860 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.494 4.584 8.445 1.00 1.00 H new ATOM 746 N GLY A 78 6.327 5.525 10.357 1.00 1.00 N ATOM 747 CA GLY A 78 4.991 5.993 10.032 1.00 1.00 C ATOM 748 C GLY A 78 4.094 4.832 9.598 1.00 1.00 C ATOM 749 O GLY A 78 2.897 4.827 9.883 1.00 1.00 O ATOM 0 H GLY A 78 6.437 5.176 11.309 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.555 6.490 10.899 1.00 1.00 H new ATOM 0 HA3 GLY A 78 5.045 6.733 9.234 1.00 1.00 H new ATOM 753 N MET A 79 4.707 3.875 8.917 1.00 1.00 N ATOM 754 CA MET A 79 3.979 2.711 8.441 1.00 1.00 C ATOM 755 C MET A 79 4.598 1.419 8.978 1.00 1.00 C ATOM 756 O MET A 79 5.802 1.187 8.891 1.00 1.00 O ATOM 757 CB MET A 79 3.996 2.688 6.911 1.00 1.00 C ATOM 758 CG MET A 79 2.769 1.960 6.359 1.00 1.00 C ATOM 759 SD MET A 79 2.529 2.382 4.642 1.00 1.00 S ATOM 760 CE MET A 79 3.081 0.870 3.871 1.00 1.00 C ATOM 0 H MET A 79 5.700 3.882 8.683 1.00 1.00 H new ATOM 0 HA MET A 79 2.952 2.776 8.801 1.00 1.00 H new ATOM 0 HB2 MET A 79 4.020 3.709 6.529 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.903 2.195 6.561 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.898 0.883 6.462 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.885 2.232 6.936 1.00 1.00 H new ATOM 0 HE1 MET A 79 2.997 0.962 2.788 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.121 0.683 4.140 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.463 0.040 4.214 1.00 1.00 H new ATOM 770 N PRO A 80 3.735 0.573 9.544 1.00 1.00 N ATOM 771 CA PRO A 80 4.101 -0.705 10.116 1.00 1.00 C ATOM 772 C PRO A 80 4.860 -1.527 9.083 1.00 1.00 C ATOM 773 O PRO A 80 5.565 -0.944 8.262 1.00 1.00 O ATOM 774 CB PRO A 80 2.774 -1.368 10.476 1.00 1.00 C ATOM 775 CG PRO A 80 1.806 -0.278 10.602 1.00 1.00 C ATOM 776 CD PRO A 80 2.313 0.814 9.664 1.00 1.00 C ATOM 0 HA PRO A 80 4.750 -0.610 10.987 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.468 -2.075 9.705 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.856 -1.928 11.408 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.805 -0.605 10.321 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.748 0.081 11.630 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.820 0.761 8.693 1.00 1.00 H new ATOM 0 HD3 PRO A 80 2.113 1.806 10.069 1.00 1.00 H new ATOM 784 N ALA A 81 4.707 -2.842 9.143 1.00 1.00 N ATOM 785 CA ALA A 81 5.388 -3.718 8.205 1.00 1.00 C ATOM 786 C ALA A 81 4.569 -4.997 8.020 1.00 1.00 C ATOM 787 O ALA A 81 3.670 -5.282 8.810 1.00 1.00 O ATOM 788 CB ALA A 81 6.806 -4.001 8.707 1.00 1.00 C ATOM 0 H ALA A 81 4.121 -3.322 9.827 1.00 1.00 H new ATOM 0 HA ALA A 81 5.477 -3.240 7.230 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.317 -4.658 8.003 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.356 -3.064 8.792 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.757 -4.483 9.683 1.00 1.00 H new ATOM 794 N PHE A 82 4.909 -5.733 6.972 1.00 1.00 N ATOM 795 CA PHE A 82 4.216 -6.974 6.674 1.00 1.00 C ATOM 796 C PHE A 82 5.178 -8.014 6.097 1.00 1.00 C ATOM 797 O PHE A 82 5.538 -7.949 4.922 1.00 1.00 O ATOM 798 CB PHE A 82 3.147 -6.650 5.628 1.00 1.00 C ATOM 799 CG PHE A 82 2.137 -5.592 6.077 1.00 1.00 C ATOM 800 CD1 PHE A 82 2.352 -4.281 5.787 1.00 1.00 C ATOM 801 CD2 PHE A 82 1.025 -5.963 6.766 1.00 1.00 C ATOM 802 CE1 PHE A 82 1.414 -3.299 6.204 1.00 1.00 C ATOM 803 CE2 PHE A 82 0.088 -4.982 7.184 1.00 1.00 C ATOM 804 CZ PHE A 82 0.302 -3.670 6.893 1.00 1.00 C ATOM 0 H PHE A 82 5.655 -5.493 6.319 1.00 1.00 H new ATOM 0 HA PHE A 82 3.782 -7.386 7.585 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.637 -6.306 4.717 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.611 -7.565 5.376 1.00 1.00 H new ATOM 0 HD1 PHE A 82 3.235 -3.986 5.240 1.00 1.00 H new ATOM 0 HD2 PHE A 82 0.855 -7.005 6.995 1.00 1.00 H new ATOM 0 HE1 PHE A 82 1.584 -2.258 5.974 1.00 1.00 H new ATOM 0 HE2 PHE A 82 -0.794 -5.277 7.733 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.411 -2.923 7.209 1.00 1.00 H new ATOM 814 N GLY A 83 5.568 -8.950 6.950 1.00 1.00 N ATOM 815 CA GLY A 83 6.482 -10.003 6.539 1.00 1.00 C ATOM 816 C GLY A 83 5.727 -11.158 5.878 1.00 1.00 C ATOM 817 O GLY A 83 4.524 -11.061 5.639 1.00 1.00 O ATOM 0 H GLY A 83 5.268 -9.001 7.924 1.00 1.00 H new ATOM 0 HA2 GLY A 83 7.218 -9.600 5.843 1.00 1.00 H new ATOM 0 HA3 GLY A 83 7.031 -10.371 7.406 1.00 1.00 H new ATOM 821 N GLU A 84 6.464 -12.223 5.602 1.00 1.00 N ATOM 822 CA GLU A 84 5.879 -13.395 4.973 1.00 1.00 C ATOM 823 C GLU A 84 5.263 -14.314 6.030 1.00 1.00 C ATOM 824 O GLU A 84 4.911 -15.455 5.737 1.00 1.00 O ATOM 825 CB GLU A 84 6.917 -14.144 4.134 1.00 1.00 C ATOM 826 CG GLU A 84 7.972 -14.801 5.027 1.00 1.00 C ATOM 827 CD GLU A 84 9.342 -14.151 4.826 1.00 1.00 C ATOM 828 OE1 GLU A 84 9.605 -13.574 3.760 1.00 1.00 O ATOM 829 OE2 GLU A 84 10.149 -14.260 5.827 1.00 1.00 O ATOM 0 H GLU A 84 7.461 -12.299 5.802 1.00 1.00 H new ATOM 0 HA GLU A 84 5.087 -13.064 4.301 1.00 1.00 H new ATOM 0 HB2 GLU A 84 6.422 -14.904 3.530 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.399 -13.452 3.443 1.00 1.00 H new ATOM 0 HG2 GLU A 84 7.674 -14.714 6.072 1.00 1.00 H new ATOM 0 HG3 GLU A 84 8.034 -15.865 4.800 1.00 1.00 H new ATOM 837 N ALA A 85 5.153 -13.781 7.238 1.00 1.00 N ATOM 838 CA ALA A 85 4.586 -14.538 8.341 1.00 1.00 C ATOM 839 C ALA A 85 3.068 -14.626 8.167 1.00 1.00 C ATOM 840 O ALA A 85 2.481 -15.693 8.340 1.00 1.00 O ATOM 841 CB ALA A 85 4.984 -13.886 9.667 1.00 1.00 C ATOM 0 H ALA A 85 5.447 -12.834 7.477 1.00 1.00 H new ATOM 0 HA ALA A 85 4.977 -15.556 8.348 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.558 -14.454 10.494 1.00 1.00 H new ATOM 0 HB2 ALA A 85 6.070 -13.875 9.755 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.607 -12.864 9.697 1.00 1.00 H new ATOM 847 N MET A 86 2.477 -13.490 7.828 1.00 1.00 N ATOM 848 CA MET A 86 1.039 -13.425 7.628 1.00 1.00 C ATOM 849 C MET A 86 0.693 -13.403 6.139 1.00 1.00 C ATOM 850 O MET A 86 -0.076 -14.237 5.664 1.00 1.00 O ATOM 851 CB MET A 86 0.487 -12.166 8.300 1.00 1.00 C ATOM 852 CG MET A 86 -0.984 -12.348 8.681 1.00 1.00 C ATOM 853 SD MET A 86 -1.995 -12.377 7.211 1.00 1.00 S ATOM 854 CE MET A 86 -2.629 -14.043 7.303 1.00 1.00 C ATOM 0 H MET A 86 2.968 -12.607 7.687 1.00 1.00 H new ATOM 0 HA MET A 86 0.588 -14.312 8.073 1.00 1.00 H new ATOM 0 HB2 MET A 86 1.072 -11.939 9.191 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.589 -11.315 7.626 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.112 -13.276 9.239 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.302 -11.536 9.335 1.00 1.00 H new ATOM 0 HE1 MET A 86 -3.122 -14.297 6.365 1.00 1.00 H new ATOM 0 HE2 MET A 86 -1.807 -14.736 7.480 1.00 1.00 H new ATOM 0 HE3 MET A 86 -3.346 -14.115 8.121 1.00 1.00 H new ATOM 864 N ILE A 87 1.276 -12.438 5.442 1.00 1.00 N ATOM 865 CA ILE A 87 1.039 -12.296 4.016 1.00 1.00 C ATOM 866 C ILE A 87 2.342 -12.558 3.258 1.00 1.00 C ATOM 867 O ILE A 87 3.339 -11.856 3.411 1.00 1.00 O ATOM 868 CB ILE A 87 0.412 -10.934 3.710 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.793 -10.670 4.614 1.00 1.00 C ATOM 870 CG2 ILE A 87 0.054 -10.816 2.227 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.764 -9.685 3.959 1.00 1.00 C ATOM 0 H ILE A 87 1.912 -11.747 5.839 1.00 1.00 H new ATOM 0 HA ILE A 87 0.317 -13.037 3.674 1.00 1.00 H new ATOM 0 HB ILE A 87 1.150 -10.162 3.925 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.307 -11.608 4.824 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.454 -10.271 5.570 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.390 -9.839 2.036 1.00 1.00 H new ATOM 0 HG22 ILE A 87 0.956 -10.929 1.625 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.659 -11.596 1.962 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.612 -9.514 4.622 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.253 -8.740 3.773 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.119 -10.098 3.015 1.00 1.00 H new ATOM 883 N PRO A 88 2.310 -13.600 2.424 1.00 1.00 N ATOM 884 CA PRO A 88 3.426 -14.027 1.608 1.00 1.00 C ATOM 885 C PRO A 88 3.636 -13.035 0.472 1.00 1.00 C ATOM 886 O PRO A 88 2.674 -12.561 -0.127 1.00 1.00 O ATOM 887 CB PRO A 88 3.017 -15.396 1.070 1.00 1.00 C ATOM 888 CG PRO A 88 1.539 -15.365 1.061 1.00 1.00 C ATOM 889 CD PRO A 88 1.155 -14.447 2.219 1.00 1.00 C ATOM 0 HA PRO A 88 4.362 -14.079 2.163 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.416 -15.565 0.070 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.393 -16.200 1.703 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.158 -14.985 0.113 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.123 -16.363 1.194 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.271 -13.857 1.978 1.00 1.00 H new ATOM 0 HD3 PRO A 88 0.922 -15.020 3.116 1.00 1.00 H new ATOM 897 N PRO A 89 4.900 -12.721 0.179 1.00 1.00 N ATOM 898 CA PRO A 89 5.290 -11.800 -0.867 1.00 1.00 C ATOM 899 C PRO A 89 4.411 -12.014 -2.090 1.00 1.00 C ATOM 900 O PRO A 89 3.925 -11.034 -2.652 1.00 1.00 O ATOM 901 CB PRO A 89 6.746 -12.146 -1.171 1.00 1.00 C ATOM 902 CG PRO A 89 7.258 -12.718 0.093 1.00 1.00 C ATOM 903 CD PRO A 89 6.056 -13.260 0.863 1.00 1.00 C ATOM 0 HA PRO A 89 5.180 -10.756 -0.575 1.00 1.00 H new ATOM 0 HB2 PRO A 89 6.822 -12.861 -1.990 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.312 -11.262 -1.465 1.00 1.00 H new ATOM 0 HG2 PRO A 89 7.977 -13.513 -0.108 1.00 1.00 H new ATOM 0 HG3 PRO A 89 7.778 -11.958 0.676 1.00 1.00 H new ATOM 0 HD2 PRO A 89 6.044 -14.350 0.860 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.080 -12.944 1.906 1.00 1.00 H new ATOM 911 N ALA A 90 4.227 -13.268 -2.476 1.00 1.00 N ATOM 912 CA ALA A 90 3.406 -13.582 -3.634 1.00 1.00 C ATOM 913 C ALA A 90 2.003 -13.008 -3.430 1.00 1.00 C ATOM 914 O ALA A 90 1.423 -12.434 -4.350 1.00 1.00 O ATOM 915 CB ALA A 90 3.390 -15.096 -3.853 1.00 1.00 C ATOM 0 H ALA A 90 4.632 -14.079 -2.008 1.00 1.00 H new ATOM 0 HA ALA A 90 3.821 -13.127 -4.533 1.00 1.00 H new ATOM 0 HB1 ALA A 90 2.774 -15.332 -4.721 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.407 -15.450 -4.022 1.00 1.00 H new ATOM 0 HB3 ALA A 90 2.977 -15.587 -2.972 1.00 1.00 H new ATOM 921 N ASP A 91 1.497 -13.182 -2.217 1.00 1.00 N ATOM 922 CA ASP A 91 0.173 -12.688 -1.880 1.00 1.00 C ATOM 923 C ASP A 91 0.204 -11.160 -1.819 1.00 1.00 C ATOM 924 O ASP A 91 -0.841 -10.517 -1.729 1.00 1.00 O ATOM 925 CB ASP A 91 -0.277 -13.207 -0.513 1.00 1.00 C ATOM 926 CG ASP A 91 -0.725 -14.670 -0.493 1.00 1.00 C ATOM 927 OD1 ASP A 91 -0.164 -15.520 -1.200 1.00 1.00 O ATOM 928 OD2 ASP A 91 -1.707 -14.928 0.303 1.00 1.00 O ATOM 0 H ASP A 91 1.981 -13.658 -1.456 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.522 -13.036 -2.644 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.544 -13.084 0.194 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -1.099 -12.586 -0.158 1.00 1.00 H new ATOM 934 N ALA A 92 1.413 -10.621 -1.870 1.00 1.00 N ATOM 935 CA ALA A 92 1.594 -9.181 -1.821 1.00 1.00 C ATOM 936 C ALA A 92 1.447 -8.604 -3.231 1.00 1.00 C ATOM 937 O ALA A 92 0.878 -7.529 -3.410 1.00 1.00 O ATOM 938 CB ALA A 92 2.953 -8.857 -1.198 1.00 1.00 C ATOM 0 H ALA A 92 2.278 -11.157 -1.945 1.00 1.00 H new ATOM 0 HA ALA A 92 0.830 -8.720 -1.195 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.088 -7.776 -1.162 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.996 -9.262 -0.187 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.745 -9.302 -1.801 1.00 1.00 H new ATOM 944 N LEU A 93 1.971 -9.346 -4.196 1.00 1.00 N ATOM 945 CA LEU A 93 1.905 -8.923 -5.584 1.00 1.00 C ATOM 946 C LEU A 93 0.440 -8.812 -6.011 1.00 1.00 C ATOM 947 O LEU A 93 0.133 -8.219 -7.044 1.00 1.00 O ATOM 948 CB LEU A 93 2.734 -9.856 -6.469 1.00 1.00 C ATOM 949 CG LEU A 93 4.248 -9.821 -6.247 1.00 1.00 C ATOM 950 CD1 LEU A 93 4.928 -11.014 -6.923 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.839 -8.488 -6.708 1.00 1.00 C ATOM 0 H LEU A 93 2.443 -10.237 -4.044 1.00 1.00 H new ATOM 0 HA LEU A 93 2.347 -7.934 -5.701 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.387 -10.877 -6.311 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.534 -9.609 -7.511 1.00 1.00 H new ATOM 0 HG LEU A 93 4.439 -9.905 -5.177 1.00 1.00 H new ATOM 0 HD11 LEU A 93 6.003 -10.966 -6.750 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.535 -11.941 -6.506 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.731 -10.986 -7.995 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.916 -8.490 -6.539 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.639 -8.349 -7.770 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.384 -7.674 -6.144 1.00 1.00 H new ATOM 963 N LYS A 94 -0.427 -9.392 -5.193 1.00 1.00 N ATOM 964 CA LYS A 94 -1.852 -9.366 -5.473 1.00 1.00 C ATOM 965 C LYS A 94 -2.460 -8.091 -4.884 1.00 1.00 C ATOM 966 O LYS A 94 -3.489 -7.613 -5.359 1.00 1.00 O ATOM 967 CB LYS A 94 -2.519 -10.651 -4.977 1.00 1.00 C ATOM 968 CG LYS A 94 -4.039 -10.576 -5.134 1.00 1.00 C ATOM 969 CD LYS A 94 -4.738 -10.719 -3.781 1.00 1.00 C ATOM 970 CE LYS A 94 -5.418 -12.085 -3.658 1.00 1.00 C ATOM 971 NZ LYS A 94 -6.825 -12.006 -4.111 1.00 1.00 N ATOM 0 H LYS A 94 -0.169 -9.882 -4.337 1.00 1.00 H new ATOM 0 HA LYS A 94 -2.028 -9.337 -6.548 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -2.134 -11.504 -5.536 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -2.266 -10.815 -3.930 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -4.314 -9.625 -5.591 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -4.378 -11.363 -5.807 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -4.012 -10.596 -2.977 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -5.479 -9.928 -3.665 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -4.879 -12.821 -4.254 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -5.382 -12.424 -2.623 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -7.458 -12.054 -3.287 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -6.978 -11.109 -4.614 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -7.029 -12.800 -4.751 1.00 1.00 H new ATOM 984 N ILE A 95 -1.797 -7.577 -3.858 1.00 1.00 N ATOM 985 CA ILE A 95 -2.259 -6.367 -3.200 1.00 1.00 C ATOM 986 C ILE A 95 -2.008 -5.166 -4.115 1.00 1.00 C ATOM 987 O ILE A 95 -2.925 -4.399 -4.404 1.00 1.00 O ATOM 988 CB ILE A 95 -1.618 -6.231 -1.817 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.756 -7.529 -1.019 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.192 -5.031 -1.062 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.198 -7.735 -0.552 1.00 1.00 C ATOM 0 H ILE A 95 -0.944 -7.976 -3.467 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.334 -6.415 -3.025 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.552 -6.047 -1.951 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.445 -8.373 -1.635 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.091 -7.502 -0.156 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.719 -4.957 -0.083 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -1.999 -4.119 -1.627 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.267 -5.160 -0.937 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.268 -8.665 0.013 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.497 -6.901 0.083 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -3.857 -7.786 -1.419 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.761 -5.041 -4.545 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.378 -3.947 -5.421 1.00 1.00 C ATOM 1005 C GLY A 96 -1.440 -3.708 -6.497 1.00 1.00 C ATOM 1006 O GLY A 96 -1.584 -2.593 -6.995 1.00 1.00 O ATOM 0 H GLY A 96 -0.003 -5.679 -4.303 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.238 -3.039 -4.835 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.579 -4.172 -5.893 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.155 -4.774 -6.823 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.199 -4.695 -7.831 1.00 1.00 C ATOM 1012 C GLU A 97 -4.341 -3.800 -7.343 1.00 1.00 C ATOM 1013 O GLU A 97 -4.785 -2.879 -8.024 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.714 -6.089 -8.198 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.556 -7.077 -8.354 1.00 1.00 C ATOM 1016 CD GLU A 97 -3.011 -8.345 -9.079 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.972 -8.997 -8.644 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -2.329 -8.645 -10.132 1.00 1.00 O ATOM 0 H GLU A 97 -2.032 -5.697 -6.407 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.775 -4.252 -8.732 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.398 -6.443 -7.426 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.281 -6.038 -9.127 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.745 -6.607 -8.910 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.161 -7.337 -7.372 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.811 -4.097 -6.130 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.893 -3.345 -5.526 1.00 1.00 C ATOM 1028 C TYR A 98 -5.608 -1.854 -5.633 1.00 1.00 C ATOM 1029 O TYR A 98 -6.554 -1.068 -5.656 1.00 1.00 O ATOM 1030 CB TYR A 98 -6.047 -3.763 -4.066 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.220 -3.111 -3.374 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -8.527 -3.417 -3.773 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -7.001 -2.201 -2.333 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -9.614 -2.813 -3.130 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -8.089 -1.597 -1.691 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.395 -1.903 -2.089 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.455 -1.314 -1.464 1.00 1.00 O ATOM 0 H TYR A 98 -4.453 -4.857 -5.552 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.825 -3.554 -6.051 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.162 -4.846 -4.016 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.133 -3.514 -3.527 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -8.696 -4.119 -4.576 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -5.993 -1.965 -2.025 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -10.622 -3.049 -3.437 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -7.920 -0.895 -0.888 1.00 1.00 H new ATOM 0 HH TYR A 98 -10.128 -0.710 -0.765 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.334 -1.497 -5.696 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.953 -0.098 -5.800 1.00 1.00 C ATOM 1049 C VAL A 99 -3.703 0.250 -7.269 1.00 1.00 C ATOM 1050 O VAL A 99 -2.860 1.090 -7.577 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.744 0.183 -4.905 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -2.206 1.596 -5.139 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -3.091 -0.035 -3.431 1.00 1.00 C ATOM 0 H VAL A 99 -3.552 -2.152 -5.677 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.759 0.545 -5.446 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.958 -0.523 -5.172 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.347 1.770 -4.491 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.902 1.702 -6.180 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.985 2.324 -4.913 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.215 0.171 -2.817 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.901 0.636 -3.145 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.405 -1.068 -3.280 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.452 -0.415 -8.137 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.323 -0.186 -9.566 1.00 1.00 C ATOM 1065 C VAL A 100 -5.686 -0.376 -10.234 1.00 1.00 C ATOM 1066 O VAL A 100 -5.765 -0.591 -11.443 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.241 -1.099 -10.146 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.168 -0.965 -11.668 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.882 -0.815 -9.505 1.00 1.00 C ATOM 0 H VAL A 100 -5.150 -1.112 -7.878 1.00 1.00 H new ATOM 0 HA VAL A 100 -4.005 0.838 -9.762 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.512 -2.129 -9.913 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.391 -1.625 -12.054 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -4.128 -1.241 -12.104 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -2.933 0.066 -11.932 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.131 -1.478 -9.935 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.601 0.221 -9.692 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.944 -0.986 -8.430 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.727 -0.289 -9.418 1.00 1.00 N ATOM 1080 CA ALA A 101 -8.083 -0.449 -9.915 1.00 1.00 C ATOM 1081 C ALA A 101 -8.807 0.898 -9.849 1.00 1.00 C ATOM 1082 O ALA A 101 -9.792 1.112 -10.554 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.797 -1.535 -9.109 1.00 1.00 C ATOM 0 H ALA A 101 -6.658 -0.110 -8.416 1.00 1.00 H new ATOM 0 HA ALA A 101 -8.075 -0.769 -10.957 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.814 -1.655 -9.482 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.259 -2.477 -9.212 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.827 -1.247 -8.058 1.00 1.00 H new ATOM 1089 N SER A 102 -8.290 1.770 -8.996 1.00 1.00 N ATOM 1090 CA SER A 102 -8.876 3.089 -8.829 1.00 1.00 C ATOM 1091 C SER A 102 -7.861 4.165 -9.222 1.00 1.00 C ATOM 1092 O SER A 102 -8.183 5.079 -9.980 1.00 1.00 O ATOM 1093 CB SER A 102 -9.347 3.305 -7.389 1.00 1.00 C ATOM 1094 OG SER A 102 -8.363 2.902 -6.440 1.00 1.00 O ATOM 0 H SER A 102 -7.472 1.589 -8.414 1.00 1.00 H new ATOM 0 HA SER A 102 -9.746 3.162 -9.482 1.00 1.00 H new ATOM 0 HB2 SER A 102 -9.585 4.358 -7.239 1.00 1.00 H new ATOM 0 HB3 SER A 102 -10.266 2.743 -7.220 1.00 1.00 H new ATOM 0 HG SER A 102 -7.851 3.685 -6.147 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.657 4.021 -8.689 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.594 4.969 -8.975 1.00 1.00 C ATOM 1102 C PHE A 103 -4.280 4.245 -9.275 1.00 1.00 C ATOM 1103 O PHE A 103 -3.436 4.037 -8.406 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.413 5.830 -7.723 1.00 1.00 C ATOM 1105 CG PHE A 103 -5.898 5.163 -6.434 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.417 3.942 -6.078 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.810 5.791 -5.645 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.867 3.323 -4.882 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.260 5.172 -4.449 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.779 3.951 -4.093 1.00 1.00 C ATOM 0 H PHE A 103 -6.394 3.262 -8.061 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.855 5.569 -9.847 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.357 6.080 -7.616 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -5.951 6.768 -7.859 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.693 3.443 -6.705 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.192 6.761 -5.928 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.485 2.353 -4.599 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -7.984 5.671 -3.822 1.00 1.00 H new ATOM 0 HZ PHE A 103 -7.121 3.480 -3.183 1.00 1.00 H new ATOM 1120 N PRO A 104 -4.124 3.861 -10.544 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.961 3.164 -11.049 1.00 1.00 C ATOM 1122 C PRO A 104 -1.729 4.044 -10.889 1.00 1.00 C ATOM 1123 O PRO A 104 -1.755 5.221 -11.241 1.00 1.00 O ATOM 1124 CB PRO A 104 -3.265 2.911 -12.524 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.790 3.032 -12.650 1.00 1.00 C ATOM 1126 CD PRO A 104 -5.096 4.089 -11.592 1.00 1.00 C ATOM 0 HA PRO A 104 -2.760 2.234 -10.517 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.759 3.637 -13.160 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -2.922 1.923 -12.833 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -5.096 3.348 -13.647 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -5.295 2.088 -12.446 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -5.006 5.095 -12.002 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -6.114 3.988 -11.215 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.382 2.879 4.220 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.625 5.723 2.802 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.196 1.428 1.004 1.00 1.00 C HETATM 1138 CHC HEC A 201 -0.944 -0.089 5.490 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.186 4.380 7.256 1.00 1.00 C HETATM 1140 NA HEC A 201 0.871 3.429 2.300 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.276 4.699 1.928 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.286 4.820 0.489 1.00 1.00 C HETATM 1143 C3A HEC A 201 0.891 3.631 -0.012 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.631 2.762 1.111 1.00 1.00 C HETATM 1145 CMA HEC A 201 0.736 3.242 -1.453 1.00 1.00 C HETATM 1146 CAA HEC A 201 1.673 6.059 -0.265 1.00 1.00 C HETATM 1147 CBA HEC A 201 3.180 6.281 -0.363 1.00 1.00 C HETATM 1148 CGA HEC A 201 3.943 4.999 -0.062 1.00 1.00 C HETATM 1149 O1A HEC A 201 4.943 5.096 0.682 1.00 1.00 O HETATM 1150 O2A HEC A 201 3.513 3.947 -0.580 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.253 1.048 3.400 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.230 0.649 2.075 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.717 -0.705 1.950 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.033 -1.128 3.192 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.747 -0.041 4.098 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.831 -1.461 0.659 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.582 -2.464 3.601 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.799 -3.652 3.048 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.197 2.253 6.046 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.778 1.051 6.414 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.229 1.112 7.785 1.00 1.00 C HETATM 1162 C3C HEC A 201 -0.926 2.343 8.248 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.283 3.056 7.170 1.00 1.00 C HETATM 1164 CMC HEC A 201 -1.906 -0.010 8.516 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.187 2.906 9.615 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.724 2.005 10.756 1.00 1.00 C HETATM 1167 ND HEC A 201 0.734 4.696 4.872 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.744 5.090 6.199 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.421 6.357 6.339 1.00 1.00 C HETATM 1170 C3D HEC A 201 1.822 6.733 5.106 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.396 5.701 4.189 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.620 7.085 7.637 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.569 7.974 4.715 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.062 7.755 4.491 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.588 6.625 5.364 1.00 1.00 C HETATM 1176 O1D HEC A 201 5.458 6.921 6.212 1.00 1.00 O HETATM 1177 O2D HEC A 201 4.110 5.487 5.169 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.650 7.311 8.080 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.194 6.460 8.321 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.161 8.014 7.454 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.828 -0.277 8.000 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.244 -0.876 8.547 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.138 0.306 9.533 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.503 -0.930 -0.016 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.153 -1.545 0.199 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.227 -2.458 0.855 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.001 3.892 -1.928 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 1.694 3.344 -1.962 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.400 2.207 -1.516 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.245 7.523 3.442 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.605 8.674 4.714 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.243 1.048 10.698 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.350 1.840 10.676 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -0.948 2.482 11.710 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.810 -3.620 1.959 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.231 -3.606 3.402 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.258 -4.580 3.388 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 3.435 6.633 -1.363 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 3.482 7.061 0.336 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.130 8.377 3.802 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.435 8.726 5.492 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 1.258 6.004 -1.271 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 1.220 6.924 0.220 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.106 4.884 8.219 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.243 -1.044 5.921 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.193 0.974 0.013 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.110 6.604 2.382 1.00 1.00 H new HETATM 0 H2D HEC A 201 4.835 4.856 4.976 1.00 1.00 H new HETATM 0 H2A HEC A 201 4.199 3.249 -0.521 1.00 1.00 H new