USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 40 SER OG : rot -124:sc= -4.12! USER MOD Set 1.2: A 52 ASN : amide:sc= -11.1! C(o=-15!,f=-17!) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -0.996 X(o=-1.5,f=-1.7) USER MOD Set 2.2: A 56 ASN :FLIP amide:sc= -0.488 F(o=-9.4!,f=-1.5) USER MOD Set 3.1: A 2 SER OG : rot -130:sc= 0.472 USER MOD Set 3.2: A 5 LYS NZ :NH3+ -150:sc= 0.311 (180deg=-0.0742) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -64:sc= 0.816 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -154:sc=-0.00183 (180deg=-0.37) USER MOD Single : A -5 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0704) USER MOD Single : A 12 THR OG1 : rot -76:sc= 0.869 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -47:sc= 1.22 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.171 K(o=0.17,f=-6.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.836 K(o=-0.84,f=-4!) USER MOD Single : A 33 HIS : no HD1:sc= -11! C(o=-11!,f=-14!) USER MOD Single : A 42 GLN :FLIP amide:sc= -5.19! C(o=-12!,f=-5.2!) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.759 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -9:sc= 0.617 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.451 X(o=-0.45,f=-0.00036) USER MOD Single : A 63 ASN :FLIP amide:sc= -7.36! C(o=-9.7!,f=-7.4!) USER MOD Single : A 64 MET CE :methyl -150:sc= -0.321 (180deg=-0.768) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 126:sc= 0.791 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.708 USER MOD Single : A 70 ASN :FLIP amide:sc= -2.7! C(o=-4.1!,f=-2.7!) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -2.57! C(o=-5.7!,f=-2.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -130:sc= 0 USER MOD Single : A 78 THR OG1 : rot -105:sc= -1.75 USER MOD Single : A 79 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0652) USER MOD Single : A 80 MET CE :methyl -174:sc= 0 (180deg=-0.0803) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0086 K(o=-0.0086,f=-1.5!) USER MOD Single : A 96 THR OG1 : rot 150:sc= -0.834 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -163:sc= -0.559 (180deg=-1.03!) USER MOD Single : A 102 THR OG1 : rot -130:sc= -0.767 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 15.306 1.933 -6.072 1.00 0.00 N ATOM 2 CA THR A -5 15.392 1.046 -4.877 1.00 0.00 C ATOM 3 C THR A -5 14.837 -0.336 -5.226 1.00 0.00 C ATOM 4 O THR A -5 13.921 -0.467 -6.013 1.00 0.00 O ATOM 5 CB THR A -5 14.574 1.650 -3.734 1.00 0.00 C ATOM 6 OG1 THR A -5 13.254 1.918 -4.188 1.00 0.00 O ATOM 7 CG2 THR A -5 15.227 2.952 -3.266 1.00 0.00 C ATOM 0 H1 THR A -5 16.035 2.672 -6.009 1.00 0.00 H new ATOM 0 H2 THR A -5 15.457 1.370 -6.934 1.00 0.00 H new ATOM 0 H3 THR A -5 14.366 2.377 -6.108 1.00 0.00 H new ATOM 0 HA THR A -5 16.433 0.952 -4.569 1.00 0.00 H new ATOM 0 HB THR A -5 14.538 0.946 -2.903 1.00 0.00 H new ATOM 0 HG1 THR A -5 12.728 2.303 -3.456 1.00 0.00 H new ATOM 0 HG21 THR A -5 14.642 3.380 -2.452 1.00 0.00 H new ATOM 0 HG22 THR A -5 16.239 2.747 -2.917 1.00 0.00 H new ATOM 0 HG23 THR A -5 15.266 3.658 -4.095 1.00 0.00 H new ATOM 17 N GLU A -4 15.385 -1.369 -4.647 1.00 0.00 N ATOM 18 CA GLU A -4 14.890 -2.742 -4.944 1.00 0.00 C ATOM 19 C GLU A -4 14.016 -3.231 -3.787 1.00 0.00 C ATOM 20 O GLU A -4 14.309 -2.992 -2.633 1.00 0.00 O ATOM 21 CB GLU A -4 16.082 -3.688 -5.118 1.00 0.00 C ATOM 22 CG GLU A -4 15.583 -5.063 -5.565 1.00 0.00 C ATOM 23 CD GLU A -4 16.761 -6.035 -5.641 1.00 0.00 C ATOM 24 OE1 GLU A -4 17.866 -5.620 -5.331 1.00 0.00 O ATOM 25 OE2 GLU A -4 16.540 -7.176 -6.010 1.00 0.00 O ATOM 0 H GLU A -4 16.155 -1.321 -3.980 1.00 0.00 H new ATOM 0 HA GLU A -4 14.302 -2.725 -5.862 1.00 0.00 H new ATOM 0 HB2 GLU A -4 16.776 -3.284 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU A -4 16.630 -3.776 -4.180 1.00 0.00 H new ATOM 0 HG2 GLU A -4 14.836 -5.435 -4.865 1.00 0.00 H new ATOM 0 HG3 GLU A -4 15.098 -4.987 -6.538 1.00 0.00 H new ATOM 32 N PHE A -3 12.944 -3.912 -4.086 1.00 0.00 N ATOM 33 CA PHE A -3 12.054 -4.414 -3.001 1.00 0.00 C ATOM 34 C PHE A -3 12.332 -5.896 -2.751 1.00 0.00 C ATOM 35 O PHE A -3 12.310 -6.703 -3.660 1.00 0.00 O ATOM 36 CB PHE A -3 10.592 -4.230 -3.417 1.00 0.00 C ATOM 37 CG PHE A -3 9.708 -5.177 -2.635 1.00 0.00 C ATOM 38 CD1 PHE A -3 9.922 -5.377 -1.265 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.670 -5.856 -3.285 1.00 0.00 C ATOM 40 CE1 PHE A -3 9.100 -6.255 -0.549 1.00 0.00 C ATOM 41 CE2 PHE A -3 7.847 -6.732 -2.567 1.00 0.00 C ATOM 42 CZ PHE A -3 8.063 -6.932 -1.199 1.00 0.00 C ATOM 0 H PHE A -3 12.646 -4.142 -5.034 1.00 0.00 H new ATOM 0 HA PHE A -3 12.246 -3.853 -2.086 1.00 0.00 H new ATOM 0 HB2 PHE A -3 10.282 -3.200 -3.240 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.483 -4.416 -4.485 1.00 0.00 H new ATOM 0 HD1 PHE A -3 10.721 -4.854 -0.761 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.504 -5.704 -4.341 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.267 -6.410 0.507 1.00 0.00 H new ATOM 0 HE2 PHE A -3 7.045 -7.253 -3.069 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.429 -7.609 -0.645 1.00 0.00 H new ATOM 52 N LYS A -2 12.591 -6.258 -1.523 1.00 0.00 N ATOM 53 CA LYS A -2 12.867 -7.684 -1.200 1.00 0.00 C ATOM 54 C LYS A -2 11.750 -8.222 -0.305 1.00 0.00 C ATOM 55 O LYS A -2 11.266 -7.539 0.575 1.00 0.00 O ATOM 56 CB LYS A -2 14.206 -7.790 -0.466 1.00 0.00 C ATOM 57 CG LYS A -2 15.333 -7.320 -1.388 1.00 0.00 C ATOM 58 CD LYS A -2 16.681 -7.531 -0.698 1.00 0.00 C ATOM 59 CE LYS A -2 17.797 -6.948 -1.566 1.00 0.00 C ATOM 60 NZ LYS A -2 18.412 -5.783 -0.868 1.00 0.00 N ATOM 0 H LYS A -2 12.623 -5.622 -0.726 1.00 0.00 H new ATOM 0 HA LYS A -2 12.912 -8.267 -2.120 1.00 0.00 H new ATOM 0 HB2 LYS A -2 14.186 -7.183 0.439 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.382 -8.820 -0.155 1.00 0.00 H new ATOM 0 HG2 LYS A -2 15.303 -7.873 -2.327 1.00 0.00 H new ATOM 0 HG3 LYS A -2 15.200 -6.267 -1.634 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.679 -7.051 0.281 1.00 0.00 H new ATOM 0 HD3 LYS A -2 16.854 -8.594 -0.532 1.00 0.00 H new ATOM 0 HE2 LYS A -2 18.553 -7.708 -1.764 1.00 0.00 H new ATOM 0 HE3 LYS A -2 17.397 -6.638 -2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 19.171 -5.386 -1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 17.687 -5.056 -0.701 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 18.807 -6.093 0.043 1.00 0.00 H new ATOM 74 N ALA A -1 11.333 -9.439 -0.522 1.00 0.00 N ATOM 75 CA ALA A -1 10.246 -10.009 0.317 1.00 0.00 C ATOM 76 C ALA A -1 10.818 -10.460 1.662 1.00 0.00 C ATOM 77 O ALA A -1 11.347 -11.547 1.790 1.00 0.00 O ATOM 78 CB ALA A -1 9.622 -11.206 -0.399 1.00 0.00 C ATOM 0 H ALA A -1 11.698 -10.061 -1.243 1.00 0.00 H new ATOM 0 HA ALA A -1 9.483 -9.249 0.485 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.825 -11.623 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A -1 9.211 -10.884 -1.356 1.00 0.00 H new ATOM 0 HB3 ALA A -1 10.385 -11.966 -0.570 1.00 0.00 H new ATOM 84 N GLY A 1 10.712 -9.635 2.665 1.00 0.00 N ATOM 85 CA GLY A 1 11.244 -10.016 4.003 1.00 0.00 C ATOM 86 C GLY A 1 10.267 -10.982 4.675 1.00 0.00 C ATOM 87 O GLY A 1 10.004 -12.056 4.172 1.00 0.00 O ATOM 0 H GLY A 1 10.280 -8.712 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.223 -10.484 3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.379 -9.128 4.621 1.00 0.00 H new ATOM 91 N SER A 2 9.724 -10.605 5.802 1.00 0.00 N ATOM 92 CA SER A 2 8.756 -11.499 6.502 1.00 0.00 C ATOM 93 C SER A 2 7.427 -10.764 6.678 1.00 0.00 C ATOM 94 O SER A 2 7.392 -9.592 6.996 1.00 0.00 O ATOM 95 CB SER A 2 9.315 -11.877 7.874 1.00 0.00 C ATOM 96 OG SER A 2 10.559 -12.545 7.706 1.00 0.00 O ATOM 0 H SER A 2 9.909 -9.717 6.268 1.00 0.00 H new ATOM 0 HA SER A 2 8.599 -12.402 5.913 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.448 -10.984 8.484 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.611 -12.521 8.401 1.00 0.00 H new ATOM 0 HG SER A 2 10.556 -13.377 8.224 1.00 0.00 H new ATOM 102 N ALA A 3 6.332 -11.443 6.476 1.00 0.00 N ATOM 103 CA ALA A 3 5.005 -10.785 6.634 1.00 0.00 C ATOM 104 C ALA A 3 4.751 -10.487 8.112 1.00 0.00 C ATOM 105 O ALA A 3 4.135 -9.500 8.461 1.00 0.00 O ATOM 106 CB ALA A 3 3.910 -11.711 6.104 1.00 0.00 C ATOM 0 H ALA A 3 6.299 -12.427 6.208 1.00 0.00 H new ATOM 0 HA ALA A 3 4.996 -9.852 6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.939 -11.230 6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.089 -11.919 5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.921 -12.645 6.665 1.00 0.00 H new ATOM 112 N LYS A 4 5.212 -11.341 8.983 1.00 0.00 N ATOM 113 CA LYS A 4 4.990 -11.121 10.437 1.00 0.00 C ATOM 114 C LYS A 4 5.621 -9.798 10.853 1.00 0.00 C ATOM 115 O LYS A 4 5.019 -8.990 11.530 1.00 0.00 O ATOM 116 CB LYS A 4 5.662 -12.247 11.214 1.00 0.00 C ATOM 117 CG LYS A 4 5.159 -13.587 10.690 1.00 0.00 C ATOM 118 CD LYS A 4 5.795 -14.725 11.491 1.00 0.00 C ATOM 119 CE LYS A 4 5.306 -14.670 12.940 1.00 0.00 C ATOM 120 NZ LYS A 4 5.016 -16.051 13.419 1.00 0.00 N ATOM 0 H LYS A 4 5.735 -12.185 8.748 1.00 0.00 H new ATOM 0 HA LYS A 4 3.920 -11.101 10.645 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.745 -12.184 11.106 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.442 -12.153 12.277 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.073 -13.635 10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.405 -13.691 9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.536 -15.686 11.046 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.881 -14.642 11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.062 -14.205 13.573 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.410 -14.054 13.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.684 -16.014 14.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.280 -16.479 12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.881 -16.625 13.367 1.00 0.00 H new ATOM 134 N LYS A 5 6.838 -9.583 10.457 1.00 0.00 N ATOM 135 CA LYS A 5 7.532 -8.321 10.827 1.00 0.00 C ATOM 136 C LYS A 5 6.758 -7.120 10.281 1.00 0.00 C ATOM 137 O LYS A 5 6.553 -6.139 10.967 1.00 0.00 O ATOM 138 CB LYS A 5 8.942 -8.333 10.240 1.00 0.00 C ATOM 139 CG LYS A 5 9.763 -9.441 10.903 1.00 0.00 C ATOM 140 CD LYS A 5 11.204 -9.387 10.392 1.00 0.00 C ATOM 141 CE LYS A 5 11.995 -10.564 10.966 1.00 0.00 C ATOM 142 NZ LYS A 5 12.190 -11.595 9.907 1.00 0.00 N ATOM 0 H LYS A 5 7.387 -10.229 9.890 1.00 0.00 H new ATOM 0 HA LYS A 5 7.586 -8.243 11.913 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.897 -8.494 9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.421 -7.367 10.398 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.746 -9.322 11.986 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.324 -10.414 10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.216 -9.424 9.303 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.669 -8.446 10.684 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.961 -10.221 11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.463 -10.995 11.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.243 -12.537 10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.390 -11.566 9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.074 -11.402 9.393 1.00 0.00 H new ATOM 156 N GLY A 6 6.321 -7.186 9.053 1.00 0.00 N ATOM 157 CA GLY A 6 5.557 -6.043 8.478 1.00 0.00 C ATOM 158 C GLY A 6 4.202 -5.931 9.177 1.00 0.00 C ATOM 159 O GLY A 6 3.686 -4.850 9.382 1.00 0.00 O ATOM 0 H GLY A 6 6.459 -7.978 8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.119 -5.117 8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.415 -6.189 7.407 1.00 0.00 H new ATOM 163 N ALA A 7 3.617 -7.042 9.539 1.00 0.00 N ATOM 164 CA ALA A 7 2.291 -6.998 10.219 1.00 0.00 C ATOM 165 C ALA A 7 2.402 -6.174 11.502 1.00 0.00 C ATOM 166 O ALA A 7 1.555 -5.355 11.800 1.00 0.00 O ATOM 167 CB ALA A 7 1.845 -8.420 10.563 1.00 0.00 C ATOM 0 H ALA A 7 4.000 -7.976 9.393 1.00 0.00 H new ATOM 0 HA ALA A 7 1.559 -6.539 9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.876 -8.387 11.060 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.764 -9.007 9.648 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.577 -8.881 11.226 1.00 0.00 H new ATOM 173 N THR A 8 3.445 -6.372 12.258 1.00 0.00 N ATOM 174 CA THR A 8 3.611 -5.586 13.509 1.00 0.00 C ATOM 175 C THR A 8 3.787 -4.120 13.134 1.00 0.00 C ATOM 176 O THR A 8 3.182 -3.234 13.705 1.00 0.00 O ATOM 177 CB THR A 8 4.859 -6.070 14.241 1.00 0.00 C ATOM 178 OG1 THR A 8 6.008 -5.777 13.458 1.00 0.00 O ATOM 179 CG2 THR A 8 4.765 -7.577 14.466 1.00 0.00 C ATOM 0 H THR A 8 4.188 -7.043 12.063 1.00 0.00 H new ATOM 0 HA THR A 8 2.740 -5.709 14.153 1.00 0.00 H new ATOM 0 HB THR A 8 4.936 -5.565 15.204 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.974 -6.289 12.623 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.657 -7.923 14.989 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.883 -7.801 15.066 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.689 -8.084 13.504 1.00 0.00 H new ATOM 187 N LEU A 9 4.609 -3.871 12.160 1.00 0.00 N ATOM 188 CA LEU A 9 4.842 -2.475 11.704 1.00 0.00 C ATOM 189 C LEU A 9 3.529 -1.882 11.192 1.00 0.00 C ATOM 190 O LEU A 9 3.164 -0.772 11.520 1.00 0.00 O ATOM 191 CB LEU A 9 5.872 -2.497 10.580 1.00 0.00 C ATOM 192 CG LEU A 9 7.272 -2.439 11.186 1.00 0.00 C ATOM 193 CD1 LEU A 9 8.260 -3.107 10.237 1.00 0.00 C ATOM 194 CD2 LEU A 9 7.676 -0.977 11.395 1.00 0.00 C ATOM 0 H LEU A 9 5.136 -4.582 11.653 1.00 0.00 H new ATOM 0 HA LEU A 9 5.209 -1.865 12.530 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.758 -3.402 9.983 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.716 -1.651 9.910 1.00 0.00 H new ATOM 0 HG LEU A 9 7.277 -2.958 12.144 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.261 -3.067 10.667 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.972 -4.147 10.084 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.255 -2.585 9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.676 -0.934 11.828 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.673 -0.458 10.436 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.968 -0.497 12.070 1.00 0.00 H new ATOM 206 N PHE A 10 2.811 -2.626 10.399 1.00 0.00 N ATOM 207 CA PHE A 10 1.512 -2.126 9.868 1.00 0.00 C ATOM 208 C PHE A 10 0.548 -1.904 11.035 1.00 0.00 C ATOM 209 O PHE A 10 -0.107 -0.883 11.140 1.00 0.00 O ATOM 210 CB PHE A 10 0.930 -3.187 8.926 1.00 0.00 C ATOM 211 CG PHE A 10 -0.297 -2.650 8.227 1.00 0.00 C ATOM 212 CD1 PHE A 10 -1.509 -2.539 8.920 1.00 0.00 C ATOM 213 CD2 PHE A 10 -0.225 -2.276 6.882 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.645 -2.051 8.266 1.00 0.00 C ATOM 215 CE2 PHE A 10 -1.359 -1.787 6.228 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.570 -1.674 6.920 1.00 0.00 C ATOM 0 H PHE A 10 3.069 -3.564 10.094 1.00 0.00 H new ATOM 0 HA PHE A 10 1.658 -1.189 9.331 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.678 -3.479 8.189 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.672 -4.083 9.491 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.566 -2.830 9.958 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.709 -2.365 6.347 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.580 -1.965 8.800 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.301 -1.497 5.189 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.447 -1.296 6.416 1.00 0.00 H new ATOM 226 N LYS A 11 0.463 -2.869 11.907 1.00 0.00 N ATOM 227 CA LYS A 11 -0.449 -2.766 13.079 1.00 0.00 C ATOM 228 C LYS A 11 -0.067 -1.569 13.955 1.00 0.00 C ATOM 229 O LYS A 11 -0.911 -0.938 14.554 1.00 0.00 O ATOM 230 CB LYS A 11 -0.340 -4.050 13.905 1.00 0.00 C ATOM 231 CG LYS A 11 -1.391 -4.043 15.017 1.00 0.00 C ATOM 232 CD LYS A 11 -1.197 -5.271 15.910 1.00 0.00 C ATOM 233 CE LYS A 11 -2.331 -5.341 16.935 1.00 0.00 C ATOM 234 NZ LYS A 11 -3.563 -5.860 16.277 1.00 0.00 N ATOM 0 H LYS A 11 0.995 -3.738 11.856 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.470 -2.627 12.724 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.483 -4.919 13.263 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.658 -4.132 14.336 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.303 -3.132 15.609 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.392 -4.048 14.586 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.184 -6.177 15.303 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.235 -5.215 16.419 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.047 -5.990 17.764 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.518 -4.352 17.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.269 -6.100 17.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.951 -5.132 15.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.330 -6.711 15.726 1.00 0.00 H new ATOM 248 N THR A 12 1.196 -1.266 14.062 1.00 0.00 N ATOM 249 CA THR A 12 1.609 -0.128 14.935 1.00 0.00 C ATOM 250 C THR A 12 1.905 1.128 14.109 1.00 0.00 C ATOM 251 O THR A 12 2.333 2.131 14.645 1.00 0.00 O ATOM 252 CB THR A 12 2.866 -0.524 15.713 1.00 0.00 C ATOM 253 OG1 THR A 12 3.940 -0.721 14.803 1.00 0.00 O ATOM 254 CG2 THR A 12 2.604 -1.817 16.486 1.00 0.00 C ATOM 0 H THR A 12 1.957 -1.752 13.587 1.00 0.00 H new ATOM 0 HA THR A 12 0.790 0.096 15.618 1.00 0.00 H new ATOM 0 HB THR A 12 3.125 0.268 16.415 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.828 -1.580 14.345 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.500 -2.098 17.040 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.780 -1.664 17.183 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.345 -2.612 15.787 1.00 0.00 H new ATOM 262 N ARG A 13 1.703 1.102 12.818 1.00 0.00 N ATOM 263 CA ARG A 13 2.008 2.328 12.021 1.00 0.00 C ATOM 264 C ARG A 13 1.130 2.418 10.769 1.00 0.00 C ATOM 265 O ARG A 13 1.582 2.868 9.735 1.00 0.00 O ATOM 266 CB ARG A 13 3.478 2.302 11.584 1.00 0.00 C ATOM 267 CG ARG A 13 4.388 2.348 12.814 1.00 0.00 C ATOM 268 CD ARG A 13 5.841 2.524 12.363 1.00 0.00 C ATOM 269 NE ARG A 13 6.749 2.344 13.531 1.00 0.00 N ATOM 270 CZ ARG A 13 6.895 3.307 14.399 1.00 0.00 C ATOM 271 NH1 ARG A 13 6.245 4.427 14.245 1.00 0.00 N ATOM 272 NH2 ARG A 13 7.691 3.149 15.421 1.00 0.00 N ATOM 0 H ARG A 13 1.348 0.305 12.290 1.00 0.00 H new ATOM 0 HA ARG A 13 1.807 3.193 12.653 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.679 1.400 11.006 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.688 3.151 10.933 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.096 3.171 13.466 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.283 1.430 13.392 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.082 1.799 11.586 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.981 3.514 11.929 1.00 0.00 H new ATOM 0 HE ARG A 13 7.257 1.468 13.652 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.623 4.550 13.446 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.359 5.180 14.923 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.199 2.273 15.541 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.805 3.902 16.100 1.00 0.00 H new ATOM 286 N CYS A 14 -0.109 2.005 10.820 1.00 0.00 N ATOM 287 CA CYS A 14 -0.934 2.105 9.582 1.00 0.00 C ATOM 288 C CYS A 14 -2.424 1.874 9.869 1.00 0.00 C ATOM 289 O CYS A 14 -3.263 2.151 9.034 1.00 0.00 O ATOM 290 CB CYS A 14 -0.420 1.077 8.579 1.00 0.00 C ATOM 291 SG CYS A 14 -0.859 1.592 6.897 1.00 0.00 S ATOM 0 H CYS A 14 -0.574 1.614 11.639 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.843 3.112 9.176 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.662 0.977 8.668 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.850 0.099 8.794 1.00 0.00 H new ATOM 296 N LEU A 15 -2.780 1.377 11.023 1.00 0.00 N ATOM 297 CA LEU A 15 -4.233 1.157 11.297 1.00 0.00 C ATOM 298 C LEU A 15 -4.965 2.501 11.279 1.00 0.00 C ATOM 299 O LEU A 15 -6.098 2.600 10.852 1.00 0.00 O ATOM 300 CB LEU A 15 -4.450 0.517 12.673 1.00 0.00 C ATOM 301 CG LEU A 15 -3.139 -0.038 13.232 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.252 1.118 13.704 1.00 0.00 C ATOM 303 CD2 LEU A 15 -3.442 -0.952 14.427 1.00 0.00 C ATOM 0 H LEU A 15 -2.143 1.117 11.776 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.619 0.490 10.526 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.859 1.256 13.362 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.184 -0.285 12.593 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.626 -0.602 12.453 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.318 0.721 14.102 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.037 1.778 12.864 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.769 1.679 14.483 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.509 -1.349 14.827 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.955 -0.381 15.201 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.077 -1.776 14.103 1.00 0.00 H new ATOM 315 N GLN A 16 -4.327 3.529 11.760 1.00 0.00 N ATOM 316 CA GLN A 16 -4.974 4.871 11.803 1.00 0.00 C ATOM 317 C GLN A 16 -5.597 5.220 10.448 1.00 0.00 C ATOM 318 O GLN A 16 -6.236 6.243 10.306 1.00 0.00 O ATOM 319 CB GLN A 16 -3.924 5.925 12.162 1.00 0.00 C ATOM 320 CG GLN A 16 -2.853 5.974 11.070 1.00 0.00 C ATOM 321 CD GLN A 16 -1.784 7.001 11.450 1.00 0.00 C ATOM 322 OE1 GLN A 16 -0.893 6.708 12.222 1.00 0.00 O ATOM 323 NE2 GLN A 16 -1.835 8.199 10.937 1.00 0.00 N ATOM 0 H GLN A 16 -3.377 3.498 12.129 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.763 4.853 12.554 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.396 6.902 12.267 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.468 5.686 13.123 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.400 4.990 10.946 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.305 6.240 10.114 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.583 8.445 10.289 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.127 8.890 11.184 1.00 0.00 H new ATOM 332 N CYS A 17 -5.411 4.401 9.446 1.00 0.00 N ATOM 333 CA CYS A 17 -5.996 4.734 8.113 1.00 0.00 C ATOM 334 C CYS A 17 -6.567 3.485 7.434 1.00 0.00 C ATOM 335 O CYS A 17 -7.728 3.160 7.582 1.00 0.00 O ATOM 336 CB CYS A 17 -4.901 5.334 7.228 1.00 0.00 C ATOM 337 SG CYS A 17 -4.435 6.962 7.867 1.00 0.00 S ATOM 0 H CYS A 17 -4.887 3.527 9.491 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.807 5.448 8.255 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.032 4.676 7.210 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.256 5.422 6.201 1.00 0.00 H new ATOM 342 N HIS A 18 -5.764 2.801 6.667 1.00 0.00 N ATOM 343 CA HIS A 18 -6.254 1.590 5.944 1.00 0.00 C ATOM 344 C HIS A 18 -6.952 0.624 6.903 1.00 0.00 C ATOM 345 O HIS A 18 -7.923 -0.014 6.546 1.00 0.00 O ATOM 346 CB HIS A 18 -5.071 0.884 5.285 1.00 0.00 C ATOM 347 CG HIS A 18 -4.549 1.725 4.159 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.030 1.617 2.860 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.587 2.695 4.123 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.356 2.506 2.104 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.471 3.183 2.831 1.00 0.00 N ATOM 0 H HIS A 18 -4.783 3.029 6.508 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.973 1.905 5.188 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.283 0.710 6.018 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.379 -0.092 4.911 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -5.760 0.981 2.538 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.007 3.030 4.970 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.514 2.650 1.045 1.00 0.00 H new ATOM 359 N THR A 19 -6.471 0.491 8.105 1.00 0.00 N ATOM 360 CA THR A 19 -7.128 -0.457 9.050 1.00 0.00 C ATOM 361 C THR A 19 -7.363 -1.783 8.327 1.00 0.00 C ATOM 362 O THR A 19 -8.449 -2.329 8.340 1.00 0.00 O ATOM 363 CB THR A 19 -8.468 0.122 9.511 1.00 0.00 C ATOM 364 OG1 THR A 19 -8.297 1.488 9.861 1.00 0.00 O ATOM 365 CG2 THR A 19 -8.972 -0.659 10.726 1.00 0.00 C ATOM 0 H THR A 19 -5.661 0.990 8.473 1.00 0.00 H new ATOM 0 HA THR A 19 -6.492 -0.615 9.921 1.00 0.00 H new ATOM 0 HB THR A 19 -9.196 0.042 8.703 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.504 1.583 10.429 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.926 -0.246 11.054 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.104 -1.707 10.456 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.246 -0.581 11.535 1.00 0.00 H new ATOM 373 N VAL A 20 -6.349 -2.301 7.686 1.00 0.00 N ATOM 374 CA VAL A 20 -6.497 -3.585 6.945 1.00 0.00 C ATOM 375 C VAL A 20 -6.794 -4.731 7.918 1.00 0.00 C ATOM 376 O VAL A 20 -6.440 -5.867 7.673 1.00 0.00 O ATOM 377 CB VAL A 20 -5.198 -3.883 6.199 1.00 0.00 C ATOM 378 CG1 VAL A 20 -4.166 -4.434 7.183 1.00 0.00 C ATOM 379 CG2 VAL A 20 -5.457 -4.917 5.105 1.00 0.00 C ATOM 0 H VAL A 20 -5.418 -1.886 7.645 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.324 -3.496 6.241 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.822 -2.966 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.237 -4.648 6.654 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.978 -3.697 7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.546 -5.351 7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.528 -5.127 4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.834 -5.836 5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.195 -4.527 4.403 1.00 0.00 H new ATOM 389 N GLU A 21 -7.449 -4.454 9.011 1.00 0.00 N ATOM 390 CA GLU A 21 -7.768 -5.541 9.978 1.00 0.00 C ATOM 391 C GLU A 21 -8.865 -6.420 9.366 1.00 0.00 C ATOM 392 O GLU A 21 -9.657 -7.025 10.059 1.00 0.00 O ATOM 393 CB GLU A 21 -8.260 -4.922 11.292 1.00 0.00 C ATOM 394 CG GLU A 21 -8.216 -5.968 12.412 1.00 0.00 C ATOM 395 CD GLU A 21 -8.793 -5.364 13.693 1.00 0.00 C ATOM 396 OE1 GLU A 21 -9.207 -4.218 13.651 1.00 0.00 O ATOM 397 OE2 GLU A 21 -8.813 -6.059 14.696 1.00 0.00 O ATOM 0 H GLU A 21 -7.776 -3.525 9.276 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.883 -6.144 10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.638 -4.067 11.557 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.277 -4.550 11.170 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.787 -6.850 12.123 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.190 -6.294 12.580 1.00 0.00 H new ATOM 404 N LYS A 22 -8.923 -6.474 8.062 1.00 0.00 N ATOM 405 CA LYS A 22 -9.968 -7.290 7.387 1.00 0.00 C ATOM 406 C LYS A 22 -11.343 -6.835 7.856 1.00 0.00 C ATOM 407 O LYS A 22 -11.713 -7.000 9.001 1.00 0.00 O ATOM 408 CB LYS A 22 -9.775 -8.771 7.702 1.00 0.00 C ATOM 409 CG LYS A 22 -8.479 -9.260 7.060 1.00 0.00 C ATOM 410 CD LYS A 22 -8.519 -10.782 6.951 1.00 0.00 C ATOM 411 CE LYS A 22 -8.512 -11.403 8.350 1.00 0.00 C ATOM 412 NZ LYS A 22 -7.843 -12.733 8.300 1.00 0.00 N ATOM 0 H LYS A 22 -8.286 -5.984 7.434 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.885 -7.153 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.740 -8.923 8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.620 -9.347 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.358 -8.815 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.622 -8.948 7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.412 -11.093 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.661 -11.138 6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.990 -10.748 9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.533 -11.511 8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.838 -13.155 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.359 -13.357 7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.864 -12.617 7.968 1.00 0.00 H new ATOM 426 N GLY A 23 -12.099 -6.256 6.972 1.00 0.00 N ATOM 427 CA GLY A 23 -13.456 -5.774 7.349 1.00 0.00 C ATOM 428 C GLY A 23 -13.331 -4.440 8.088 1.00 0.00 C ATOM 429 O GLY A 23 -14.303 -3.904 8.582 1.00 0.00 O ATOM 0 H GLY A 23 -11.837 -6.094 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.072 -5.653 6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.953 -6.509 7.983 1.00 0.00 H new ATOM 433 N GLY A 24 -12.144 -3.897 8.170 1.00 0.00 N ATOM 434 CA GLY A 24 -11.971 -2.599 8.883 1.00 0.00 C ATOM 435 C GLY A 24 -12.543 -1.464 8.026 1.00 0.00 C ATOM 436 O GLY A 24 -12.576 -1.552 6.815 1.00 0.00 O ATOM 0 H GLY A 24 -11.292 -4.295 7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.478 -2.631 9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.915 -2.420 9.084 1.00 0.00 H new ATOM 440 N PRO A 25 -12.989 -0.403 8.650 1.00 0.00 N ATOM 441 CA PRO A 25 -13.568 0.771 7.929 1.00 0.00 C ATOM 442 C PRO A 25 -12.539 1.447 7.016 1.00 0.00 C ATOM 443 O PRO A 25 -11.394 1.628 7.383 1.00 0.00 O ATOM 444 CB PRO A 25 -14.003 1.723 9.047 1.00 0.00 C ATOM 445 CG PRO A 25 -13.251 1.293 10.263 1.00 0.00 C ATOM 446 CD PRO A 25 -12.989 -0.202 10.106 1.00 0.00 C ATOM 0 HA PRO A 25 -14.389 0.477 7.275 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.774 2.757 8.791 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.079 1.666 9.212 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.315 1.843 10.354 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -13.828 1.493 11.166 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.036 -0.491 10.550 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.761 -0.797 10.593 1.00 0.00 H new ATOM 454 N HIS A 26 -12.935 1.812 5.829 1.00 0.00 N ATOM 455 CA HIS A 26 -11.979 2.466 4.891 1.00 0.00 C ATOM 456 C HIS A 26 -11.437 3.765 5.491 1.00 0.00 C ATOM 457 O HIS A 26 -10.275 4.075 5.365 1.00 0.00 O ATOM 458 CB HIS A 26 -12.685 2.785 3.573 1.00 0.00 C ATOM 459 CG HIS A 26 -13.114 1.507 2.908 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.210 0.661 2.281 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.345 0.916 2.760 1.00 0.00 C ATOM 462 CE1 HIS A 26 -12.903 -0.383 1.789 1.00 0.00 C ATOM 463 NE2 HIS A 26 -14.206 -0.274 2.055 1.00 0.00 N ATOM 0 H HIS A 26 -13.880 1.686 5.467 1.00 0.00 H new ATOM 0 HA HIS A 26 -11.150 1.781 4.715 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -13.552 3.419 3.758 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.017 3.342 2.916 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.277 1.314 3.134 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.460 -1.205 1.247 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.945 -0.927 1.795 1.00 0.00 H new ATOM 472 N LYS A 27 -12.264 4.544 6.123 1.00 0.00 N ATOM 473 CA LYS A 27 -11.766 5.829 6.688 1.00 0.00 C ATOM 474 C LYS A 27 -11.098 6.633 5.562 1.00 0.00 C ATOM 475 O LYS A 27 -11.550 6.623 4.434 1.00 0.00 O ATOM 476 CB LYS A 27 -10.757 5.561 7.812 1.00 0.00 C ATOM 477 CG LYS A 27 -11.461 4.877 8.985 1.00 0.00 C ATOM 478 CD LYS A 27 -10.490 4.769 10.163 1.00 0.00 C ATOM 479 CE LYS A 27 -11.171 4.045 11.326 1.00 0.00 C ATOM 480 NZ LYS A 27 -10.959 4.819 12.583 1.00 0.00 N ATOM 0 H LYS A 27 -13.254 4.352 6.273 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.599 6.394 7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.947 4.931 7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.308 6.498 8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.343 5.447 9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.805 3.886 8.690 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.594 4.228 9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.172 5.763 10.477 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.237 3.937 11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.763 3.040 11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.421 4.328 13.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.940 4.900 12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.368 5.770 12.479 1.00 0.00 H new ATOM 494 N VAL A 28 -10.044 7.346 5.856 1.00 0.00 N ATOM 495 CA VAL A 28 -9.372 8.164 4.802 1.00 0.00 C ATOM 496 C VAL A 28 -8.732 7.281 3.719 1.00 0.00 C ATOM 497 O VAL A 28 -8.818 7.582 2.546 1.00 0.00 O ATOM 498 CB VAL A 28 -8.289 9.026 5.450 1.00 0.00 C ATOM 499 CG1 VAL A 28 -7.477 9.732 4.362 1.00 0.00 C ATOM 500 CG2 VAL A 28 -8.945 10.073 6.355 1.00 0.00 C ATOM 0 H VAL A 28 -9.618 7.398 6.781 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.128 8.789 4.326 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.629 8.393 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.705 10.346 4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.010 8.988 3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.137 10.365 3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.174 10.688 6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.605 10.705 5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.523 9.572 7.131 1.00 0.00 H new ATOM 510 N GLY A 29 -8.070 6.213 4.093 1.00 0.00 N ATOM 511 CA GLY A 29 -7.410 5.350 3.062 1.00 0.00 C ATOM 512 C GLY A 29 -8.193 4.046 2.869 1.00 0.00 C ATOM 513 O GLY A 29 -8.838 3.566 3.770 1.00 0.00 O ATOM 0 H GLY A 29 -7.958 5.903 5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.348 5.887 2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.388 5.125 3.368 1.00 0.00 H new ATOM 517 N PRO A 30 -8.131 3.471 1.694 1.00 0.00 N ATOM 518 CA PRO A 30 -8.850 2.201 1.382 1.00 0.00 C ATOM 519 C PRO A 30 -8.445 1.049 2.307 1.00 0.00 C ATOM 520 O PRO A 30 -7.350 1.013 2.832 1.00 0.00 O ATOM 521 CB PRO A 30 -8.463 1.883 -0.069 1.00 0.00 C ATOM 522 CG PRO A 30 -7.285 2.747 -0.383 1.00 0.00 C ATOM 523 CD PRO A 30 -7.368 3.961 0.539 1.00 0.00 C ATOM 0 HA PRO A 30 -9.924 2.317 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.214 0.828 -0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.290 2.091 -0.747 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.354 2.203 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.299 3.054 -1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.378 4.309 0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.870 4.798 0.054 1.00 0.00 H new ATOM 531 N ASN A 31 -9.326 0.105 2.503 1.00 0.00 N ATOM 532 CA ASN A 31 -9.008 -1.054 3.385 1.00 0.00 C ATOM 533 C ASN A 31 -7.677 -1.666 2.950 1.00 0.00 C ATOM 534 O ASN A 31 -7.003 -2.320 3.719 1.00 0.00 O ATOM 535 CB ASN A 31 -10.117 -2.102 3.266 1.00 0.00 C ATOM 536 CG ASN A 31 -10.005 -3.097 4.421 1.00 0.00 C ATOM 537 OD1 ASN A 31 -9.344 -2.832 5.405 1.00 0.00 O ATOM 538 ND2 ASN A 31 -10.628 -4.242 4.343 1.00 0.00 N ATOM 0 H ASN A 31 -10.257 0.087 2.087 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.935 -0.720 4.420 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.093 -1.617 3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.037 -2.625 2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.559 -4.913 5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.183 -4.465 3.517 1.00 0.00 H new ATOM 545 N LEU A 32 -7.306 -1.462 1.716 1.00 0.00 N ATOM 546 CA LEU A 32 -6.024 -2.023 1.197 1.00 0.00 C ATOM 547 C LEU A 32 -6.153 -3.537 1.063 1.00 0.00 C ATOM 548 O LEU A 32 -5.288 -4.288 1.469 1.00 0.00 O ATOM 549 CB LEU A 32 -4.871 -1.675 2.153 1.00 0.00 C ATOM 550 CG LEU A 32 -3.522 -1.771 1.428 1.00 0.00 C ATOM 551 CD1 LEU A 32 -3.497 -0.811 0.243 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.402 -1.371 2.382 1.00 0.00 C ATOM 0 H LEU A 32 -7.843 -0.924 1.036 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.809 -1.590 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.008 -0.667 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.881 -2.354 3.006 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.384 -2.796 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.536 -0.886 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.296 -1.069 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.641 0.209 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.444 -1.439 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.560 -0.347 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.400 -2.041 3.242 1.00 0.00 H new ATOM 564 N HIS A 33 -7.230 -3.983 0.484 1.00 0.00 N ATOM 565 CA HIS A 33 -7.437 -5.442 0.300 1.00 0.00 C ATOM 566 C HIS A 33 -7.878 -5.705 -1.140 1.00 0.00 C ATOM 567 O HIS A 33 -7.949 -6.836 -1.580 1.00 0.00 O ATOM 568 CB HIS A 33 -8.521 -5.919 1.265 1.00 0.00 C ATOM 569 CG HIS A 33 -7.919 -6.873 2.255 1.00 0.00 C ATOM 570 ND1 HIS A 33 -6.992 -6.468 3.206 1.00 0.00 N ATOM 571 CD2 HIS A 33 -8.095 -8.218 2.447 1.00 0.00 C ATOM 572 CE1 HIS A 33 -6.648 -7.554 3.923 1.00 0.00 C ATOM 573 NE2 HIS A 33 -7.293 -8.644 3.500 1.00 0.00 N ATOM 0 H HIS A 33 -7.982 -3.393 0.128 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.510 -5.980 0.501 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.962 -5.068 1.784 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.325 -6.408 0.714 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.754 -8.849 1.870 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.939 -7.545 4.738 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.214 -9.591 3.871 1.00 0.00 H new ATOM 582 N GLY A 34 -8.185 -4.665 -1.869 1.00 0.00 N ATOM 583 CA GLY A 34 -8.636 -4.840 -3.282 1.00 0.00 C ATOM 584 C GLY A 34 -7.698 -4.102 -4.245 1.00 0.00 C ATOM 585 O GLY A 34 -7.894 -4.123 -5.445 1.00 0.00 O ATOM 0 H GLY A 34 -8.143 -3.698 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.661 -5.901 -3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.652 -4.462 -3.394 1.00 0.00 H new ATOM 589 N ILE A 35 -6.683 -3.451 -3.744 1.00 0.00 N ATOM 590 CA ILE A 35 -5.752 -2.723 -4.658 1.00 0.00 C ATOM 591 C ILE A 35 -5.154 -3.710 -5.663 1.00 0.00 C ATOM 592 O ILE A 35 -4.849 -3.354 -6.784 1.00 0.00 O ATOM 593 CB ILE A 35 -4.638 -2.045 -3.837 1.00 0.00 C ATOM 594 CG1 ILE A 35 -5.265 -0.962 -2.946 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.596 -1.401 -4.764 1.00 0.00 C ATOM 596 CD1 ILE A 35 -4.247 0.150 -2.660 1.00 0.00 C ATOM 0 H ILE A 35 -6.458 -3.391 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.298 -1.952 -5.201 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.140 -2.797 -3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.144 -0.542 -3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.603 -1.404 -2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.818 -0.928 -4.164 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.150 -2.167 -5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.080 -0.650 -5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.706 0.910 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.381 -0.272 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.930 0.603 -3.599 1.00 0.00 H new ATOM 608 N PHE A 36 -4.980 -4.945 -5.281 1.00 0.00 N ATOM 609 CA PHE A 36 -4.398 -5.935 -6.231 1.00 0.00 C ATOM 610 C PHE A 36 -5.528 -6.752 -6.866 1.00 0.00 C ATOM 611 O PHE A 36 -6.384 -7.278 -6.185 1.00 0.00 O ATOM 612 CB PHE A 36 -3.456 -6.875 -5.475 1.00 0.00 C ATOM 613 CG PHE A 36 -2.350 -6.074 -4.829 1.00 0.00 C ATOM 614 CD1 PHE A 36 -1.210 -5.730 -5.565 1.00 0.00 C ATOM 615 CD2 PHE A 36 -2.464 -5.679 -3.490 1.00 0.00 C ATOM 616 CE1 PHE A 36 -0.186 -4.988 -4.962 1.00 0.00 C ATOM 617 CE2 PHE A 36 -1.440 -4.940 -2.888 1.00 0.00 C ATOM 618 CZ PHE A 36 -0.300 -4.595 -3.624 1.00 0.00 C ATOM 0 H PHE A 36 -5.214 -5.310 -4.358 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.842 -5.411 -7.009 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.010 -7.427 -4.716 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.034 -7.611 -6.160 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.120 -6.036 -6.597 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.343 -5.945 -2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.692 -4.719 -5.530 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.529 -4.636 -1.856 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.491 -4.026 -3.159 1.00 0.00 H new ATOM 628 N GLY A 37 -5.536 -6.862 -8.169 1.00 0.00 N ATOM 629 CA GLY A 37 -6.612 -7.646 -8.843 1.00 0.00 C ATOM 630 C GLY A 37 -6.814 -7.129 -10.271 1.00 0.00 C ATOM 631 O GLY A 37 -6.071 -7.460 -11.173 1.00 0.00 O ATOM 0 H GLY A 37 -4.846 -6.444 -8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.346 -8.703 -8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.542 -7.562 -8.281 1.00 0.00 H new ATOM 635 N ARG A 38 -7.818 -6.321 -10.480 1.00 0.00 N ATOM 636 CA ARG A 38 -8.078 -5.781 -11.847 1.00 0.00 C ATOM 637 C ARG A 38 -7.422 -4.409 -11.985 1.00 0.00 C ATOM 638 O ARG A 38 -6.619 -4.010 -11.165 1.00 0.00 O ATOM 639 CB ARG A 38 -9.586 -5.638 -12.065 1.00 0.00 C ATOM 640 CG ARG A 38 -10.261 -7.008 -11.973 1.00 0.00 C ATOM 641 CD ARG A 38 -10.068 -7.770 -13.288 1.00 0.00 C ATOM 642 NE ARG A 38 -10.878 -9.020 -13.258 1.00 0.00 N ATOM 643 CZ ARG A 38 -10.877 -9.822 -14.288 1.00 0.00 C ATOM 644 NH1 ARG A 38 -10.167 -9.528 -15.344 1.00 0.00 N ATOM 645 NH2 ARG A 38 -11.586 -10.917 -14.264 1.00 0.00 N ATOM 0 H ARG A 38 -8.472 -6.010 -9.761 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.664 -6.465 -12.588 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.007 -4.965 -11.318 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.780 -5.193 -13.041 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.837 -7.578 -11.146 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.324 -6.887 -11.765 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.371 -7.147 -14.130 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.014 -8.009 -13.431 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.433 -9.249 -12.433 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.613 -8.672 -15.364 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.166 -10.155 -16.149 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.142 -11.147 -13.440 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.585 -11.543 -15.069 1.00 0.00 H new ATOM 659 N HIS A 39 -7.763 -3.681 -13.016 1.00 0.00 N ATOM 660 CA HIS A 39 -7.164 -2.333 -13.204 1.00 0.00 C ATOM 661 C HIS A 39 -7.152 -1.623 -11.855 1.00 0.00 C ATOM 662 O HIS A 39 -7.797 -2.051 -10.922 1.00 0.00 O ATOM 663 CB HIS A 39 -8.005 -1.527 -14.197 1.00 0.00 C ATOM 664 CG HIS A 39 -8.116 -2.282 -15.494 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.980 -1.891 -16.506 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.480 -3.408 -15.957 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.844 -2.767 -17.518 1.00 0.00 C ATOM 668 NE2 HIS A 39 -7.943 -3.709 -17.233 1.00 0.00 N ATOM 0 H HIS A 39 -8.430 -3.964 -13.734 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.150 -2.425 -13.593 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.997 -1.345 -13.785 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.548 -0.553 -14.370 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.736 -3.972 -15.414 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.395 -2.714 -18.445 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.654 -4.487 -17.827 1.00 0.00 H new ATOM 677 N SER A 40 -6.420 -0.556 -11.733 1.00 0.00 N ATOM 678 CA SER A 40 -6.366 0.149 -10.428 1.00 0.00 C ATOM 679 C SER A 40 -7.760 0.643 -10.035 1.00 0.00 C ATOM 680 O SER A 40 -8.634 0.798 -10.864 1.00 0.00 O ATOM 681 CB SER A 40 -5.410 1.331 -10.536 1.00 0.00 C ATOM 682 OG SER A 40 -6.025 2.360 -11.294 1.00 0.00 O ATOM 0 H SER A 40 -5.859 -0.143 -12.478 1.00 0.00 H new ATOM 0 HA SER A 40 -6.012 -0.540 -9.661 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.153 1.699 -9.542 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.480 1.019 -11.011 1.00 0.00 H new ATOM 0 HG SER A 40 -5.451 2.595 -12.053 1.00 0.00 H new ATOM 688 N GLY A 41 -7.970 0.889 -8.767 1.00 0.00 N ATOM 689 CA GLY A 41 -9.305 1.372 -8.310 1.00 0.00 C ATOM 690 C GLY A 41 -10.301 0.208 -8.314 1.00 0.00 C ATOM 691 O GLY A 41 -11.022 0.003 -9.271 1.00 0.00 O ATOM 0 H GLY A 41 -7.274 0.776 -8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.227 1.794 -7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.658 2.169 -8.965 1.00 0.00 H new ATOM 695 N GLN A 42 -10.341 -0.566 -7.257 1.00 0.00 N ATOM 696 CA GLN A 42 -11.288 -1.726 -7.214 1.00 0.00 C ATOM 697 C GLN A 42 -12.019 -1.772 -5.868 1.00 0.00 C ATOM 698 O GLN A 42 -12.751 -2.700 -5.588 1.00 0.00 O ATOM 699 CB GLN A 42 -10.510 -3.033 -7.394 1.00 0.00 C ATOM 700 CG GLN A 42 -9.756 -3.011 -8.724 1.00 0.00 C ATOM 701 CD GLN A 42 -8.252 -3.017 -8.448 1.00 0.00 C ATOM 702 OE1 GLN A 42 -7.568 -1.920 -8.616 1.00 0.00 O flip ATOM 703 NE2 GLN A 42 -7.695 -4.030 -8.070 1.00 0.00 N flip ATOM 0 H GLN A 42 -9.762 -0.447 -6.426 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.015 -1.606 -8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.808 -3.165 -6.570 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.195 -3.881 -7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.031 -3.877 -9.326 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.030 -2.125 -9.296 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.231 -4.888 -7.939 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.692 -4.022 -7.884 1.00 0.00 H new ATOM 712 N ALA A 43 -11.823 -0.798 -5.024 1.00 0.00 N ATOM 713 CA ALA A 43 -12.508 -0.823 -3.699 1.00 0.00 C ATOM 714 C ALA A 43 -13.995 -0.500 -3.871 1.00 0.00 C ATOM 715 O ALA A 43 -14.361 0.575 -4.304 1.00 0.00 O ATOM 716 CB ALA A 43 -11.866 0.210 -2.772 1.00 0.00 C ATOM 0 H ALA A 43 -11.223 0.010 -5.191 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.407 -1.818 -3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.367 0.191 -1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.810 -0.027 -2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.963 1.203 -3.211 1.00 0.00 H new ATOM 722 N GLU A 44 -14.855 -1.424 -3.530 1.00 0.00 N ATOM 723 CA GLU A 44 -16.319 -1.174 -3.665 1.00 0.00 C ATOM 724 C GLU A 44 -16.746 -0.085 -2.678 1.00 0.00 C ATOM 725 O GLU A 44 -17.594 0.734 -2.971 1.00 0.00 O ATOM 726 CB GLU A 44 -17.087 -2.463 -3.366 1.00 0.00 C ATOM 727 CG GLU A 44 -16.753 -3.515 -4.425 1.00 0.00 C ATOM 728 CD GLU A 44 -17.572 -4.781 -4.164 1.00 0.00 C ATOM 729 OE1 GLU A 44 -18.201 -4.850 -3.121 1.00 0.00 O ATOM 730 OE2 GLU A 44 -17.555 -5.658 -5.011 1.00 0.00 O ATOM 0 H GLU A 44 -14.605 -2.342 -3.163 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.538 -0.848 -4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.824 -2.833 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -18.159 -2.267 -3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.971 -3.127 -5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.688 -3.746 -4.400 1.00 0.00 H new ATOM 737 N GLY A 45 -16.161 -0.068 -1.510 1.00 0.00 N ATOM 738 CA GLY A 45 -16.530 0.971 -0.506 1.00 0.00 C ATOM 739 C GLY A 45 -15.689 2.221 -0.756 1.00 0.00 C ATOM 740 O GLY A 45 -16.185 3.237 -1.202 1.00 0.00 O ATOM 0 H GLY A 45 -15.444 -0.728 -1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.591 1.209 -0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.359 0.597 0.504 1.00 0.00 H new ATOM 744 N TYR A 46 -14.415 2.149 -0.488 1.00 0.00 N ATOM 745 CA TYR A 46 -13.539 3.327 -0.727 1.00 0.00 C ATOM 746 C TYR A 46 -13.618 3.715 -2.204 1.00 0.00 C ATOM 747 O TYR A 46 -13.787 2.874 -3.064 1.00 0.00 O ATOM 748 CB TYR A 46 -12.098 2.970 -0.360 1.00 0.00 C ATOM 749 CG TYR A 46 -11.181 4.083 -0.790 1.00 0.00 C ATOM 750 CD1 TYR A 46 -10.990 5.200 0.032 1.00 0.00 C ATOM 751 CD2 TYR A 46 -10.523 3.996 -2.019 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.137 6.230 -0.379 1.00 0.00 C ATOM 753 CE2 TYR A 46 -9.672 5.023 -2.433 1.00 0.00 C ATOM 754 CZ TYR A 46 -9.477 6.143 -1.614 1.00 0.00 C ATOM 755 OH TYR A 46 -8.638 7.159 -2.021 1.00 0.00 O ATOM 0 H TYR A 46 -13.944 1.325 -0.114 1.00 0.00 H new ATOM 0 HA TYR A 46 -13.867 4.166 -0.113 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.014 2.810 0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -11.808 2.038 -0.845 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -11.500 5.266 0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -10.673 3.133 -2.650 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.987 7.092 0.254 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.165 4.954 -3.384 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.261 6.940 -2.899 1.00 0.00 H new ATOM 765 N SER A 47 -13.509 4.983 -2.504 1.00 0.00 N ATOM 766 CA SER A 47 -13.592 5.427 -3.925 1.00 0.00 C ATOM 767 C SER A 47 -12.276 6.082 -4.350 1.00 0.00 C ATOM 768 O SER A 47 -11.576 6.676 -3.553 1.00 0.00 O ATOM 769 CB SER A 47 -14.729 6.438 -4.072 1.00 0.00 C ATOM 770 OG SER A 47 -15.949 5.836 -3.658 1.00 0.00 O ATOM 0 H SER A 47 -13.366 5.730 -1.825 1.00 0.00 H new ATOM 0 HA SER A 47 -13.780 4.560 -4.559 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.524 7.323 -3.470 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.806 6.768 -5.108 1.00 0.00 H new ATOM 0 HG SER A 47 -16.680 6.482 -3.749 1.00 0.00 H new ATOM 776 N TYR A 48 -11.943 5.980 -5.608 1.00 0.00 N ATOM 777 CA TYR A 48 -10.681 6.595 -6.109 1.00 0.00 C ATOM 778 C TYR A 48 -11.026 7.806 -6.977 1.00 0.00 C ATOM 779 O TYR A 48 -12.082 7.868 -7.576 1.00 0.00 O ATOM 780 CB TYR A 48 -9.915 5.575 -6.957 1.00 0.00 C ATOM 781 CG TYR A 48 -9.487 4.412 -6.095 1.00 0.00 C ATOM 782 CD1 TYR A 48 -10.405 3.410 -5.762 1.00 0.00 C ATOM 783 CD2 TYR A 48 -8.169 4.337 -5.629 1.00 0.00 C ATOM 784 CE1 TYR A 48 -10.007 2.332 -4.963 1.00 0.00 C ATOM 785 CE2 TYR A 48 -7.770 3.259 -4.829 1.00 0.00 C ATOM 786 CZ TYR A 48 -8.689 2.257 -4.497 1.00 0.00 C ATOM 787 OH TYR A 48 -8.297 1.194 -3.708 1.00 0.00 O ATOM 0 H TYR A 48 -12.495 5.494 -6.315 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.065 6.904 -5.264 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.544 5.222 -7.774 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.042 6.046 -7.408 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.422 3.468 -6.122 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.460 5.110 -5.886 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.716 1.559 -4.706 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.754 3.201 -4.468 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.351 1.294 -3.471 1.00 0.00 H new ATOM 797 N THR A 49 -10.148 8.768 -7.057 1.00 0.00 N ATOM 798 CA THR A 49 -10.436 9.966 -7.896 1.00 0.00 C ATOM 799 C THR A 49 -10.413 9.569 -9.375 1.00 0.00 C ATOM 800 O THR A 49 -10.152 10.379 -10.241 1.00 0.00 O ATOM 801 CB THR A 49 -9.379 11.042 -7.638 1.00 0.00 C ATOM 802 OG1 THR A 49 -9.361 11.955 -8.725 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.004 10.389 -7.495 1.00 0.00 C ATOM 0 H THR A 49 -9.247 8.777 -6.580 1.00 0.00 H new ATOM 0 HA THR A 49 -11.420 10.360 -7.640 1.00 0.00 H new ATOM 0 HB THR A 49 -9.621 11.575 -6.718 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.924 11.612 -9.450 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.253 11.158 -7.311 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.019 9.689 -6.659 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.758 9.854 -8.412 1.00 0.00 H new ATOM 811 N ASP A 50 -10.683 8.323 -9.665 1.00 0.00 N ATOM 812 CA ASP A 50 -10.684 7.853 -11.080 1.00 0.00 C ATOM 813 C ASP A 50 -9.330 8.139 -11.735 1.00 0.00 C ATOM 814 O ASP A 50 -9.096 7.772 -12.868 1.00 0.00 O ATOM 815 CB ASP A 50 -11.792 8.566 -11.860 1.00 0.00 C ATOM 816 CG ASP A 50 -13.156 8.140 -11.314 1.00 0.00 C ATOM 817 OD1 ASP A 50 -13.199 7.172 -10.572 1.00 0.00 O ATOM 818 OD2 ASP A 50 -14.134 8.790 -11.645 1.00 0.00 O ATOM 0 H ASP A 50 -10.905 7.605 -8.975 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.863 6.778 -11.093 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.675 9.646 -11.773 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.720 8.322 -12.920 1.00 0.00 H new ATOM 823 N ALA A 51 -8.432 8.784 -11.041 1.00 0.00 N ATOM 824 CA ALA A 51 -7.105 9.072 -11.652 1.00 0.00 C ATOM 825 C ALA A 51 -6.376 7.753 -11.921 1.00 0.00 C ATOM 826 O ALA A 51 -5.760 7.572 -12.952 1.00 0.00 O ATOM 827 CB ALA A 51 -6.276 9.944 -10.706 1.00 0.00 C ATOM 0 H ALA A 51 -8.558 9.121 -10.087 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.245 9.607 -12.592 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.306 10.151 -11.158 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.800 10.882 -10.524 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.131 9.420 -9.761 1.00 0.00 H new ATOM 833 N ASN A 52 -6.452 6.821 -11.007 1.00 0.00 N ATOM 834 CA ASN A 52 -5.771 5.514 -11.229 1.00 0.00 C ATOM 835 C ASN A 52 -6.620 4.656 -12.173 1.00 0.00 C ATOM 836 O ASN A 52 -6.102 3.923 -12.992 1.00 0.00 O ATOM 837 CB ASN A 52 -5.572 4.786 -9.893 1.00 0.00 C ATOM 838 CG ASN A 52 -6.914 4.299 -9.350 1.00 0.00 C ATOM 839 OD1 ASN A 52 -7.929 4.930 -9.556 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.957 3.192 -8.656 1.00 0.00 N ATOM 0 H ASN A 52 -6.953 6.908 -10.123 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.793 5.689 -11.677 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.898 3.940 -10.029 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.102 5.455 -9.173 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.846 2.856 -8.286 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.101 2.664 -8.485 1.00 0.00 H new ATOM 847 N ILE A 53 -7.922 4.740 -12.070 1.00 0.00 N ATOM 848 CA ILE A 53 -8.796 3.926 -12.969 1.00 0.00 C ATOM 849 C ILE A 53 -8.564 4.328 -14.428 1.00 0.00 C ATOM 850 O ILE A 53 -8.339 3.494 -15.282 1.00 0.00 O ATOM 851 CB ILE A 53 -10.266 4.159 -12.614 1.00 0.00 C ATOM 852 CG1 ILE A 53 -10.531 3.696 -11.180 1.00 0.00 C ATOM 853 CG2 ILE A 53 -11.152 3.361 -13.574 1.00 0.00 C ATOM 854 CD1 ILE A 53 -11.965 4.052 -10.787 1.00 0.00 C ATOM 0 H ILE A 53 -8.417 5.335 -11.405 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.549 2.872 -12.838 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.493 5.222 -12.699 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.377 2.620 -11.099 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.827 4.171 -10.497 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.200 3.525 -13.323 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.968 3.689 -14.597 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.920 2.300 -13.486 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.155 3.722 -9.765 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.103 5.131 -10.852 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.661 3.556 -11.463 1.00 0.00 H new ATOM 866 N LYS A 54 -8.621 5.599 -14.725 1.00 0.00 N ATOM 867 CA LYS A 54 -8.409 6.046 -16.128 1.00 0.00 C ATOM 868 C LYS A 54 -7.027 5.598 -16.599 1.00 0.00 C ATOM 869 O LYS A 54 -6.838 5.229 -17.741 1.00 0.00 O ATOM 870 CB LYS A 54 -8.509 7.570 -16.195 1.00 0.00 C ATOM 871 CG LYS A 54 -9.946 8.001 -15.887 1.00 0.00 C ATOM 872 CD LYS A 54 -10.070 9.517 -16.051 1.00 0.00 C ATOM 873 CE LYS A 54 -11.471 9.963 -15.629 1.00 0.00 C ATOM 874 NZ LYS A 54 -12.044 10.858 -16.674 1.00 0.00 N ATOM 0 H LYS A 54 -8.805 6.345 -14.055 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.170 5.606 -16.773 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.821 8.022 -15.480 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.217 7.921 -17.185 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.641 7.494 -16.557 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.214 7.711 -14.871 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.318 10.022 -15.444 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.884 9.798 -17.088 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.114 9.094 -15.487 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.425 10.485 -14.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.997 11.161 -16.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.435 11.693 -16.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.101 10.345 -17.577 1.00 0.00 H new ATOM 888 N LYS A 55 -6.060 5.623 -15.727 1.00 0.00 N ATOM 889 CA LYS A 55 -4.692 5.190 -16.120 1.00 0.00 C ATOM 890 C LYS A 55 -4.753 3.749 -16.628 1.00 0.00 C ATOM 891 O LYS A 55 -3.977 3.342 -17.471 1.00 0.00 O ATOM 892 CB LYS A 55 -3.762 5.270 -14.904 1.00 0.00 C ATOM 893 CG LYS A 55 -2.319 4.966 -15.323 1.00 0.00 C ATOM 894 CD LYS A 55 -1.675 6.220 -15.924 1.00 0.00 C ATOM 895 CE LYS A 55 -0.192 5.957 -16.189 1.00 0.00 C ATOM 896 NZ LYS A 55 -0.034 5.300 -17.518 1.00 0.00 N ATOM 0 H LYS A 55 -6.158 5.925 -14.758 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.309 5.840 -16.907 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.818 6.263 -14.458 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.085 4.560 -14.142 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.744 4.629 -14.460 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.306 4.155 -16.051 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.178 6.491 -16.852 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.789 7.063 -15.242 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.364 6.894 -16.166 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.221 5.322 -15.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.974 5.121 -17.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.552 4.398 -17.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.414 5.922 -18.260 1.00 0.00 H new ATOM 910 N ASN A 56 -5.665 2.969 -16.112 1.00 0.00 N ATOM 911 CA ASN A 56 -5.772 1.550 -16.552 1.00 0.00 C ATOM 912 C ASN A 56 -4.462 0.831 -16.245 1.00 0.00 C ATOM 913 O ASN A 56 -3.899 0.159 -17.085 1.00 0.00 O ATOM 914 CB ASN A 56 -6.048 1.486 -18.054 1.00 0.00 C ATOM 915 CG ASN A 56 -6.557 0.087 -18.418 1.00 0.00 C ATOM 916 OD1 ASN A 56 -6.471 -0.879 -17.539 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -7.036 -0.131 -19.512 1.00 0.00 N flip ATOM 0 H ASN A 56 -6.341 3.255 -15.404 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.593 1.069 -16.020 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.787 2.238 -18.332 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.139 1.711 -18.612 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.104 0.621 -20.198 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.371 -1.066 -19.745 1.00 0.00 H new ATOM 924 N VAL A 57 -3.980 0.970 -15.042 1.00 0.00 N ATOM 925 CA VAL A 57 -2.710 0.300 -14.660 1.00 0.00 C ATOM 926 C VAL A 57 -2.996 -0.687 -13.533 1.00 0.00 C ATOM 927 O VAL A 57 -3.793 -0.427 -12.654 1.00 0.00 O ATOM 928 CB VAL A 57 -1.704 1.348 -14.178 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.216 1.994 -12.891 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.358 0.673 -13.906 1.00 0.00 C ATOM 0 H VAL A 57 -4.415 1.523 -14.304 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.295 -0.227 -15.519 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.581 2.113 -14.945 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.499 2.740 -12.548 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.176 2.474 -13.082 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.339 1.229 -12.124 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.360 1.418 -13.563 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.483 -0.091 -13.139 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.009 0.211 -14.822 1.00 0.00 H new ATOM 940 N LEU A 58 -2.365 -1.822 -13.556 1.00 0.00 N ATOM 941 CA LEU A 58 -2.611 -2.828 -12.490 1.00 0.00 C ATOM 942 C LEU A 58 -1.628 -2.615 -11.344 1.00 0.00 C ATOM 943 O LEU A 58 -0.436 -2.531 -11.546 1.00 0.00 O ATOM 944 CB LEU A 58 -2.422 -4.231 -13.069 1.00 0.00 C ATOM 945 CG LEU A 58 -2.592 -5.273 -11.962 1.00 0.00 C ATOM 946 CD1 LEU A 58 -3.972 -5.118 -11.327 1.00 0.00 C ATOM 947 CD2 LEU A 58 -2.460 -6.674 -12.561 1.00 0.00 C ATOM 0 H LEU A 58 -1.688 -2.098 -14.267 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.629 -2.718 -12.115 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.148 -4.408 -13.863 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.432 -4.320 -13.516 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.824 -5.128 -11.202 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.095 -5.860 -10.538 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.067 -4.118 -10.903 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.740 -5.265 -12.086 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.581 -7.419 -11.774 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.229 -6.819 -13.320 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.476 -6.784 -13.017 1.00 0.00 H new ATOM 959 N TRP A 59 -2.119 -2.538 -10.138 1.00 0.00 N ATOM 960 CA TRP A 59 -1.207 -2.344 -8.978 1.00 0.00 C ATOM 961 C TRP A 59 -0.476 -3.655 -8.690 1.00 0.00 C ATOM 962 O TRP A 59 -1.075 -4.711 -8.629 1.00 0.00 O ATOM 963 CB TRP A 59 -2.021 -1.944 -7.745 1.00 0.00 C ATOM 964 CG TRP A 59 -2.342 -0.485 -7.787 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.576 0.029 -7.968 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.445 0.648 -7.627 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.498 1.411 -7.949 1.00 0.00 N ATOM 968 CE2 TRP A 59 -2.202 1.841 -7.737 1.00 0.00 C ATOM 969 CE3 TRP A 59 -0.062 0.756 -7.407 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.605 3.095 -7.627 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.542 2.018 -7.294 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.228 3.185 -7.404 1.00 0.00 C ATOM 0 H TRP A 59 -3.110 -2.601 -9.907 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.487 -1.559 -9.210 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.942 -2.525 -7.705 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.459 -2.174 -6.840 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.480 -0.546 -8.106 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.296 2.033 -8.075 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.540 -0.137 -7.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.202 3.991 -7.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.606 2.091 -7.121 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.243 4.153 -7.316 1.00 0.00 H new ATOM 983 N ASP A 60 0.811 -3.598 -8.498 1.00 0.00 N ATOM 984 CA ASP A 60 1.576 -4.840 -8.199 1.00 0.00 C ATOM 985 C ASP A 60 2.790 -4.484 -7.347 1.00 0.00 C ATOM 986 O ASP A 60 3.021 -3.337 -7.026 1.00 0.00 O ATOM 987 CB ASP A 60 2.027 -5.514 -9.496 1.00 0.00 C ATOM 988 CG ASP A 60 2.864 -4.538 -10.319 1.00 0.00 C ATOM 989 OD1 ASP A 60 3.213 -3.502 -9.787 1.00 0.00 O ATOM 990 OD2 ASP A 60 3.142 -4.845 -11.466 1.00 0.00 O ATOM 0 H ASP A 60 1.368 -2.744 -8.535 1.00 0.00 H new ATOM 0 HA ASP A 60 0.936 -5.535 -7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.610 -6.407 -9.270 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.159 -5.837 -10.070 1.00 0.00 H new ATOM 995 N GLU A 61 3.559 -5.459 -6.963 1.00 0.00 N ATOM 996 CA GLU A 61 4.748 -5.172 -6.111 1.00 0.00 C ATOM 997 C GLU A 61 5.707 -4.225 -6.837 1.00 0.00 C ATOM 998 O GLU A 61 6.297 -3.348 -6.238 1.00 0.00 O ATOM 999 CB GLU A 61 5.469 -6.480 -5.789 1.00 0.00 C ATOM 1000 CG GLU A 61 4.553 -7.378 -4.956 1.00 0.00 C ATOM 1001 CD GLU A 61 5.298 -8.660 -4.577 1.00 0.00 C ATOM 1002 OE1 GLU A 61 6.384 -8.865 -5.095 1.00 0.00 O ATOM 1003 OE2 GLU A 61 4.772 -9.412 -3.775 1.00 0.00 O ATOM 0 H GLU A 61 3.419 -6.441 -7.200 1.00 0.00 H new ATOM 0 HA GLU A 61 4.416 -4.697 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.752 -6.988 -6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.389 -6.275 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.232 -6.853 -4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.654 -7.622 -5.521 1.00 0.00 H new ATOM 1010 N ASN A 62 5.874 -4.391 -8.119 1.00 0.00 N ATOM 1011 CA ASN A 62 6.803 -3.495 -8.870 1.00 0.00 C ATOM 1012 C ASN A 62 6.259 -2.064 -8.882 1.00 0.00 C ATOM 1013 O ASN A 62 6.980 -1.109 -8.667 1.00 0.00 O ATOM 1014 CB ASN A 62 6.938 -3.997 -10.308 1.00 0.00 C ATOM 1015 CG ASN A 62 7.573 -5.389 -10.306 1.00 0.00 C ATOM 1016 OD1 ASN A 62 7.126 -6.274 -11.008 1.00 0.00 O ATOM 1017 ND2 ASN A 62 8.606 -5.620 -9.543 1.00 0.00 N ATOM 0 H ASN A 62 5.410 -5.105 -8.680 1.00 0.00 H new ATOM 0 HA ASN A 62 7.778 -3.502 -8.382 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.959 -4.033 -10.785 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.550 -3.307 -10.889 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.038 -6.544 -9.536 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.981 -4.877 -8.954 1.00 0.00 H new ATOM 1024 N ASN A 63 4.991 -1.912 -9.142 1.00 0.00 N ATOM 1025 CA ASN A 63 4.388 -0.548 -9.180 1.00 0.00 C ATOM 1026 C ASN A 63 4.505 0.111 -7.806 1.00 0.00 C ATOM 1027 O ASN A 63 4.758 1.294 -7.694 1.00 0.00 O ATOM 1028 CB ASN A 63 2.910 -0.653 -9.563 1.00 0.00 C ATOM 1029 CG ASN A 63 2.782 -1.285 -10.950 1.00 0.00 C ATOM 1030 OD1 ASN A 63 1.824 -2.143 -11.174 1.00 0.00 O flip ATOM 1031 ND2 ASN A 63 3.561 -0.998 -11.837 1.00 0.00 N flip ATOM 0 H ASN A 63 4.342 -2.676 -9.331 1.00 0.00 H new ATOM 0 HA ASN A 63 4.918 0.055 -9.917 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.375 -1.254 -8.828 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.452 0.336 -9.559 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.309 -0.328 -11.661 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.467 -1.428 -12.757 1.00 0.00 H new ATOM 1038 N MET A 64 4.317 -0.644 -6.760 1.00 0.00 N ATOM 1039 CA MET A 64 4.411 -0.054 -5.397 1.00 0.00 C ATOM 1040 C MET A 64 5.811 0.522 -5.182 1.00 0.00 C ATOM 1041 O MET A 64 5.976 1.557 -4.567 1.00 0.00 O ATOM 1042 CB MET A 64 4.132 -1.136 -4.352 1.00 0.00 C ATOM 1043 CG MET A 64 2.655 -1.537 -4.411 1.00 0.00 C ATOM 1044 SD MET A 64 1.626 -0.123 -3.950 1.00 0.00 S ATOM 1045 CE MET A 64 0.022 -0.881 -4.302 1.00 0.00 C ATOM 0 H MET A 64 4.103 -1.641 -6.790 1.00 0.00 H new ATOM 0 HA MET A 64 3.675 0.744 -5.296 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.763 -2.005 -4.536 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.380 -0.767 -3.357 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.399 -1.874 -5.415 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.467 -2.372 -3.736 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.686 -0.110 -4.605 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.132 -1.608 -5.106 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.348 -1.382 -3.407 1.00 0.00 H new ATOM 1055 N SER A 65 6.821 -0.128 -5.690 1.00 0.00 N ATOM 1056 CA SER A 65 8.199 0.402 -5.513 1.00 0.00 C ATOM 1057 C SER A 65 8.282 1.790 -6.146 1.00 0.00 C ATOM 1058 O SER A 65 8.875 2.700 -5.602 1.00 0.00 O ATOM 1059 CB SER A 65 9.200 -0.533 -6.194 1.00 0.00 C ATOM 1060 OG SER A 65 10.521 -0.120 -5.874 1.00 0.00 O ATOM 0 H SER A 65 6.751 -0.998 -6.217 1.00 0.00 H new ATOM 0 HA SER A 65 8.436 0.466 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.038 -1.560 -5.865 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.053 -0.517 -7.274 1.00 0.00 H new ATOM 0 HG SER A 65 11.165 -0.718 -6.308 1.00 0.00 H new ATOM 1066 N GLU A 66 7.684 1.957 -7.293 1.00 0.00 N ATOM 1067 CA GLU A 66 7.714 3.281 -7.969 1.00 0.00 C ATOM 1068 C GLU A 66 6.885 4.289 -7.169 1.00 0.00 C ATOM 1069 O GLU A 66 7.208 5.457 -7.101 1.00 0.00 O ATOM 1070 CB GLU A 66 7.132 3.139 -9.374 1.00 0.00 C ATOM 1071 CG GLU A 66 8.034 2.230 -10.212 1.00 0.00 C ATOM 1072 CD GLU A 66 7.486 2.140 -11.637 1.00 0.00 C ATOM 1073 OE1 GLU A 66 6.387 2.620 -11.859 1.00 0.00 O ATOM 1074 OE2 GLU A 66 8.175 1.592 -12.481 1.00 0.00 O ATOM 0 H GLU A 66 7.174 1.229 -7.792 1.00 0.00 H new ATOM 0 HA GLU A 66 8.743 3.636 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.126 2.722 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.047 4.119 -9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.051 2.622 -10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.082 1.237 -9.766 1.00 0.00 H new ATOM 1081 N TYR A 67 5.815 3.846 -6.569 1.00 0.00 N ATOM 1082 CA TYR A 67 4.961 4.780 -5.779 1.00 0.00 C ATOM 1083 C TYR A 67 5.768 5.392 -4.633 1.00 0.00 C ATOM 1084 O TYR A 67 5.733 6.585 -4.407 1.00 0.00 O ATOM 1085 CB TYR A 67 3.769 4.009 -5.205 1.00 0.00 C ATOM 1086 CG TYR A 67 2.946 4.924 -4.329 1.00 0.00 C ATOM 1087 CD1 TYR A 67 2.051 5.832 -4.904 1.00 0.00 C ATOM 1088 CD2 TYR A 67 3.084 4.864 -2.937 1.00 0.00 C ATOM 1089 CE1 TYR A 67 1.292 6.680 -4.087 1.00 0.00 C ATOM 1090 CE2 TYR A 67 2.326 5.710 -2.120 1.00 0.00 C ATOM 1091 CZ TYR A 67 1.429 6.618 -2.695 1.00 0.00 C ATOM 1092 OH TYR A 67 0.682 7.453 -1.890 1.00 0.00 O ATOM 0 H TYR A 67 5.494 2.878 -6.591 1.00 0.00 H new ATOM 0 HA TYR A 67 4.608 5.579 -6.431 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.155 3.615 -6.014 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.120 3.155 -4.626 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.945 5.879 -5.978 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.776 4.164 -2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.601 7.382 -4.531 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.433 5.663 -1.046 1.00 0.00 H new ATOM 0 HH TYR A 67 0.198 6.920 -1.225 1.00 0.00 H new ATOM 1102 N LEU A 68 6.491 4.588 -3.905 1.00 0.00 N ATOM 1103 CA LEU A 68 7.293 5.128 -2.775 1.00 0.00 C ATOM 1104 C LEU A 68 8.463 5.958 -3.304 1.00 0.00 C ATOM 1105 O LEU A 68 8.776 7.010 -2.782 1.00 0.00 O ATOM 1106 CB LEU A 68 7.818 3.959 -1.943 1.00 0.00 C ATOM 1107 CG LEU A 68 6.639 3.238 -1.284 1.00 0.00 C ATOM 1108 CD1 LEU A 68 7.140 1.998 -0.542 1.00 0.00 C ATOM 1109 CD2 LEU A 68 5.958 4.178 -0.286 1.00 0.00 C ATOM 0 H LEU A 68 6.561 3.580 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 68 6.667 5.772 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.374 3.268 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.509 4.321 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 68 5.928 2.939 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.297 1.488 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.626 1.324 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.854 2.297 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.119 3.665 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.674 4.477 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.596 5.063 -0.809 1.00 0.00 H new ATOM 1121 N THR A 69 9.113 5.496 -4.334 1.00 0.00 N ATOM 1122 CA THR A 69 10.265 6.263 -4.892 1.00 0.00 C ATOM 1123 C THR A 69 9.758 7.506 -5.628 1.00 0.00 C ATOM 1124 O THR A 69 10.316 8.579 -5.510 1.00 0.00 O ATOM 1125 CB THR A 69 11.041 5.375 -5.868 1.00 0.00 C ATOM 1126 OG1 THR A 69 10.215 5.062 -6.980 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.462 4.084 -5.163 1.00 0.00 C ATOM 0 H THR A 69 8.899 4.622 -4.814 1.00 0.00 H new ATOM 0 HA THR A 69 10.918 6.572 -4.076 1.00 0.00 H new ATOM 0 HB THR A 69 11.930 5.904 -6.213 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.711 4.495 -7.606 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.014 3.453 -5.859 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.096 4.325 -4.310 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.575 3.553 -4.817 1.00 0.00 H new ATOM 1135 N ASN A 70 8.705 7.372 -6.387 1.00 0.00 N ATOM 1136 CA ASN A 70 8.163 8.547 -7.131 1.00 0.00 C ATOM 1137 C ASN A 70 6.647 8.397 -7.287 1.00 0.00 C ATOM 1138 O ASN A 70 6.162 7.401 -7.784 1.00 0.00 O ATOM 1139 CB ASN A 70 8.812 8.618 -8.515 1.00 0.00 C ATOM 1140 CG ASN A 70 10.330 8.732 -8.364 1.00 0.00 C ATOM 1141 OD1 ASN A 70 10.828 9.633 -7.560 1.00 0.00 O flip ATOM 1142 ND2 ASN A 70 11.072 7.997 -8.985 1.00 0.00 N flip ATOM 0 H ASN A 70 8.195 6.499 -6.525 1.00 0.00 H new ATOM 0 HA ASN A 70 8.384 9.460 -6.578 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.560 7.729 -9.092 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.426 9.476 -9.066 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.684 7.293 -9.613 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.083 8.084 -8.878 1.00 0.00 H new ATOM 1149 N HIS A 71 5.895 9.377 -6.868 1.00 0.00 N ATOM 1150 CA HIS A 71 4.414 9.281 -6.996 1.00 0.00 C ATOM 1151 C HIS A 71 3.828 10.668 -7.271 1.00 0.00 C ATOM 1152 O HIS A 71 4.214 11.645 -6.661 1.00 0.00 O ATOM 1153 CB HIS A 71 3.835 8.733 -5.691 1.00 0.00 C ATOM 1154 CG HIS A 71 4.621 9.267 -4.526 1.00 0.00 C ATOM 1155 ND1 HIS A 71 5.949 9.165 -4.188 1.00 0.00 N flip ATOM 1156 CD2 HIS A 71 4.032 10.024 -3.522 1.00 0.00 C flip ATOM 1157 CE1 HIS A 71 6.177 9.845 -2.997 1.00 0.00 C flip ATOM 1158 NE2 HIS A 71 4.994 10.344 -2.637 1.00 0.00 N flip ATOM 0 H HIS A 71 6.241 10.238 -6.444 1.00 0.00 H new ATOM 0 HA HIS A 71 4.161 8.616 -7.821 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.788 9.020 -5.598 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.868 7.644 -5.696 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.991 10.305 -3.462 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.116 9.948 -2.473 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.838 10.899 -1.796 1.00 0.00 H new ATOM 1167 N ALA A 72 2.891 10.759 -8.180 1.00 0.00 N ATOM 1168 CA ALA A 72 2.272 12.081 -8.490 1.00 0.00 C ATOM 1169 C ALA A 72 1.578 12.018 -9.856 1.00 0.00 C ATOM 1170 O ALA A 72 0.477 11.529 -9.979 1.00 0.00 O ATOM 1171 CB ALA A 72 3.352 13.166 -8.515 1.00 0.00 C ATOM 0 H ALA A 72 2.528 9.974 -8.721 1.00 0.00 H new ATOM 0 HA ALA A 72 1.538 12.321 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.895 14.129 -8.742 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.840 13.216 -7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.091 12.926 -9.279 1.00 0.00 H new ATOM 1177 N LYS A 73 2.205 12.516 -10.885 1.00 0.00 N ATOM 1178 CA LYS A 73 1.564 12.481 -12.233 1.00 0.00 C ATOM 1179 C LYS A 73 1.303 11.029 -12.647 1.00 0.00 C ATOM 1180 O LYS A 73 0.329 10.725 -13.308 1.00 0.00 O ATOM 1181 CB LYS A 73 2.488 13.146 -13.256 1.00 0.00 C ATOM 1182 CG LYS A 73 2.639 14.630 -12.917 1.00 0.00 C ATOM 1183 CD LYS A 73 3.464 15.322 -14.004 1.00 0.00 C ATOM 1184 CE LYS A 73 3.708 16.779 -13.610 1.00 0.00 C ATOM 1185 NZ LYS A 73 5.071 16.913 -13.021 1.00 0.00 N ATOM 0 H LYS A 73 3.130 12.945 -10.853 1.00 0.00 H new ATOM 0 HA LYS A 73 0.617 13.019 -12.194 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.463 12.660 -13.251 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.079 13.031 -14.260 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.657 15.097 -12.838 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.125 14.745 -11.948 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.415 14.806 -14.137 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.940 15.275 -14.958 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.613 17.424 -14.484 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.956 17.103 -12.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.237 17.904 -12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.146 16.309 -12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.782 16.620 -13.721 1.00 0.00 H new ATOM 1199 N TYR A 74 2.173 10.135 -12.271 1.00 0.00 N ATOM 1200 CA TYR A 74 1.997 8.701 -12.644 1.00 0.00 C ATOM 1201 C TYR A 74 0.684 8.148 -12.074 1.00 0.00 C ATOM 1202 O TYR A 74 -0.038 7.434 -12.742 1.00 0.00 O ATOM 1203 CB TYR A 74 3.178 7.903 -12.085 1.00 0.00 C ATOM 1204 CG TYR A 74 2.780 6.461 -11.894 1.00 0.00 C ATOM 1205 CD1 TYR A 74 2.155 5.757 -12.930 1.00 0.00 C ATOM 1206 CD2 TYR A 74 3.039 5.829 -10.673 1.00 0.00 C ATOM 1207 CE1 TYR A 74 1.788 4.418 -12.742 1.00 0.00 C ATOM 1208 CE2 TYR A 74 2.673 4.493 -10.485 1.00 0.00 C ATOM 1209 CZ TYR A 74 2.048 3.785 -11.519 1.00 0.00 C ATOM 1210 OH TYR A 74 1.686 2.467 -11.334 1.00 0.00 O ATOM 0 H TYR A 74 3.005 10.336 -11.717 1.00 0.00 H new ATOM 0 HA TYR A 74 1.960 8.614 -13.730 1.00 0.00 H new ATOM 0 HB2 TYR A 74 4.027 7.968 -12.766 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.499 8.330 -11.135 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.956 6.245 -13.873 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.522 6.374 -9.875 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.305 3.874 -13.540 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.872 4.007 -9.542 1.00 0.00 H new ATOM 0 HH TYR A 74 1.186 2.380 -10.496 1.00 0.00 H new ATOM 1220 N ILE A 75 0.372 8.461 -10.848 1.00 0.00 N ATOM 1221 CA ILE A 75 -0.888 7.940 -10.238 1.00 0.00 C ATOM 1222 C ILE A 75 -1.556 9.062 -9.436 1.00 0.00 C ATOM 1223 O ILE A 75 -0.912 10.021 -9.074 1.00 0.00 O ATOM 1224 CB ILE A 75 -0.551 6.758 -9.314 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.764 7.028 -8.571 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -0.407 5.489 -10.152 1.00 0.00 C ATOM 1227 CD1 ILE A 75 0.565 8.157 -7.559 1.00 0.00 C ATOM 0 H ILE A 75 0.934 9.056 -10.239 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.570 7.600 -11.017 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.352 6.633 -8.586 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.096 6.124 -8.060 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.545 7.298 -9.282 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.168 4.648 -9.501 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.343 5.289 -10.674 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.393 5.623 -10.880 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.502 8.345 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.254 9.062 -8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.202 7.870 -6.840 1.00 0.00 H new ATOM 1239 N PRO A 76 -2.833 8.952 -9.151 1.00 0.00 N ATOM 1240 CA PRO A 76 -3.582 9.974 -8.384 1.00 0.00 C ATOM 1241 C PRO A 76 -2.682 10.795 -7.452 1.00 0.00 C ATOM 1242 O PRO A 76 -1.885 10.258 -6.710 1.00 0.00 O ATOM 1243 CB PRO A 76 -4.576 9.124 -7.580 1.00 0.00 C ATOM 1244 CG PRO A 76 -4.662 7.791 -8.286 1.00 0.00 C ATOM 1245 CD PRO A 76 -3.736 7.858 -9.508 1.00 0.00 C ATOM 0 HA PRO A 76 -4.050 10.718 -9.029 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.237 8.998 -6.552 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.553 9.605 -7.537 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.360 6.983 -7.619 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.687 7.584 -8.592 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.200 6.922 -9.664 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.287 8.067 -10.425 1.00 0.00 H new ATOM 1253 N GLY A 77 -2.806 12.096 -7.492 1.00 0.00 N ATOM 1254 CA GLY A 77 -1.960 12.959 -6.616 1.00 0.00 C ATOM 1255 C GLY A 77 -2.369 12.762 -5.157 1.00 0.00 C ATOM 1256 O GLY A 77 -2.335 13.677 -4.359 1.00 0.00 O ATOM 0 H GLY A 77 -3.458 12.599 -8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.908 12.707 -6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.075 14.005 -6.899 1.00 0.00 H new ATOM 1260 N THR A 78 -2.760 11.570 -4.806 1.00 0.00 N ATOM 1261 CA THR A 78 -3.180 11.296 -3.406 1.00 0.00 C ATOM 1262 C THR A 78 -2.034 11.606 -2.442 1.00 0.00 C ATOM 1263 O THR A 78 -0.902 11.224 -2.664 1.00 0.00 O ATOM 1264 CB THR A 78 -3.546 9.819 -3.285 1.00 0.00 C ATOM 1265 OG1 THR A 78 -3.923 9.533 -1.946 1.00 0.00 O ATOM 1266 CG2 THR A 78 -2.335 8.965 -3.674 1.00 0.00 C ATOM 0 H THR A 78 -2.807 10.768 -5.434 1.00 0.00 H new ATOM 0 HA THR A 78 -4.036 11.923 -3.156 1.00 0.00 H new ATOM 0 HB THR A 78 -4.380 9.591 -3.950 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.201 9.043 -1.500 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.592 7.909 -3.589 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.048 9.187 -4.702 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.502 9.190 -3.008 1.00 0.00 H new ATOM 1274 N LYS A 79 -2.323 12.280 -1.363 1.00 0.00 N ATOM 1275 CA LYS A 79 -1.257 12.597 -0.373 1.00 0.00 C ATOM 1276 C LYS A 79 -1.325 11.572 0.759 1.00 0.00 C ATOM 1277 O LYS A 79 -2.393 11.241 1.236 1.00 0.00 O ATOM 1278 CB LYS A 79 -1.479 14.002 0.191 1.00 0.00 C ATOM 1279 CG LYS A 79 -1.331 15.032 -0.930 1.00 0.00 C ATOM 1280 CD LYS A 79 -1.435 16.442 -0.345 1.00 0.00 C ATOM 1281 CE LYS A 79 -1.409 17.469 -1.478 1.00 0.00 C ATOM 1282 NZ LYS A 79 -2.742 17.510 -2.143 1.00 0.00 N ATOM 0 H LYS A 79 -3.253 12.625 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.279 12.559 -0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.471 14.074 0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.759 14.205 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.371 14.905 -1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.106 14.881 -1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.356 16.542 0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.609 16.623 0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.157 18.454 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.637 17.208 -2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.615 17.514 -3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.294 16.674 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.248 18.371 -1.853 1.00 0.00 H new ATOM 1296 N MET A 80 -0.202 11.058 1.185 1.00 0.00 N ATOM 1297 CA MET A 80 -0.212 10.044 2.280 1.00 0.00 C ATOM 1298 C MET A 80 0.606 10.556 3.467 1.00 0.00 C ATOM 1299 O MET A 80 1.713 11.033 3.313 1.00 0.00 O ATOM 1300 CB MET A 80 0.398 8.739 1.754 1.00 0.00 C ATOM 1301 CG MET A 80 0.068 7.572 2.692 1.00 0.00 C ATOM 1302 SD MET A 80 -0.177 6.076 1.703 1.00 0.00 S ATOM 1303 CE MET A 80 1.541 5.510 1.702 1.00 0.00 C ATOM 0 H MET A 80 0.721 11.296 0.823 1.00 0.00 H new ATOM 0 HA MET A 80 -1.236 9.866 2.608 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.015 8.529 0.755 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.479 8.847 1.665 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.877 7.423 3.407 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.830 7.794 3.268 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.638 4.643 1.049 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.187 6.310 1.341 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.834 5.236 2.715 1.00 0.00 H new ATOM 1313 N ALA A 81 0.066 10.461 4.651 1.00 0.00 N ATOM 1314 CA ALA A 81 0.804 10.940 5.853 1.00 0.00 C ATOM 1315 C ALA A 81 2.031 10.058 6.095 1.00 0.00 C ATOM 1316 O ALA A 81 3.001 10.480 6.693 1.00 0.00 O ATOM 1317 CB ALA A 81 -0.117 10.876 7.073 1.00 0.00 C ATOM 0 H ALA A 81 -0.858 10.071 4.838 1.00 0.00 H new ATOM 0 HA ALA A 81 1.127 11.968 5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.421 11.226 7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.988 11.509 6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.441 9.847 7.231 1.00 0.00 H new ATOM 1323 N PHE A 82 1.997 8.833 5.643 1.00 0.00 N ATOM 1324 CA PHE A 82 3.161 7.928 5.860 1.00 0.00 C ATOM 1325 C PHE A 82 4.430 8.598 5.330 1.00 0.00 C ATOM 1326 O PHE A 82 5.476 8.543 5.946 1.00 0.00 O ATOM 1327 CB PHE A 82 2.933 6.610 5.117 1.00 0.00 C ATOM 1328 CG PHE A 82 3.984 5.606 5.533 1.00 0.00 C ATOM 1329 CD1 PHE A 82 3.788 4.829 6.681 1.00 0.00 C ATOM 1330 CD2 PHE A 82 5.153 5.450 4.775 1.00 0.00 C ATOM 1331 CE1 PHE A 82 4.756 3.897 7.071 1.00 0.00 C ATOM 1332 CE2 PHE A 82 6.121 4.517 5.166 1.00 0.00 C ATOM 1333 CZ PHE A 82 5.921 3.740 6.314 1.00 0.00 C ATOM 0 H PHE A 82 1.215 8.421 5.134 1.00 0.00 H new ATOM 0 HA PHE A 82 3.271 7.728 6.926 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.938 6.223 5.338 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.979 6.775 4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.888 4.949 7.266 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.307 6.049 3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.603 3.299 7.957 1.00 0.00 H new ATOM 0 HE2 PHE A 82 7.022 4.396 4.582 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.667 3.019 6.615 1.00 0.00 H new ATOM 1343 N GLY A 83 4.349 9.231 4.190 1.00 0.00 N ATOM 1344 CA GLY A 83 5.555 9.901 3.627 1.00 0.00 C ATOM 1345 C GLY A 83 6.628 8.852 3.340 1.00 0.00 C ATOM 1346 O GLY A 83 6.429 7.951 2.549 1.00 0.00 O ATOM 0 H GLY A 83 3.503 9.312 3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.296 10.432 2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.934 10.643 4.330 1.00 0.00 H new ATOM 1350 N GLY A 84 7.761 8.961 3.980 1.00 0.00 N ATOM 1351 CA GLY A 84 8.852 7.969 3.752 1.00 0.00 C ATOM 1352 C GLY A 84 9.232 7.324 5.086 1.00 0.00 C ATOM 1353 O GLY A 84 9.014 7.884 6.141 1.00 0.00 O ATOM 0 H GLY A 84 7.979 9.696 4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.524 7.206 3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.720 8.460 3.311 1.00 0.00 H new ATOM 1357 N LEU A 85 9.800 6.150 5.046 1.00 0.00 N ATOM 1358 CA LEU A 85 10.191 5.465 6.309 1.00 0.00 C ATOM 1359 C LEU A 85 11.709 5.528 6.484 1.00 0.00 C ATOM 1360 O LEU A 85 12.462 5.192 5.591 1.00 0.00 O ATOM 1361 CB LEU A 85 9.739 4.003 6.250 1.00 0.00 C ATOM 1362 CG LEU A 85 10.087 3.300 7.561 1.00 0.00 C ATOM 1363 CD1 LEU A 85 9.365 3.988 8.720 1.00 0.00 C ATOM 1364 CD2 LEU A 85 9.644 1.837 7.486 1.00 0.00 C ATOM 0 H LEU A 85 10.010 5.635 4.191 1.00 0.00 H new ATOM 0 HA LEU A 85 9.715 5.961 7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.665 3.952 6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.224 3.496 5.415 1.00 0.00 H new ATOM 0 HG LEU A 85 11.164 3.350 7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.615 3.485 9.654 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.677 5.031 8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.288 3.939 8.558 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.891 1.334 8.421 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.567 1.791 7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.157 1.343 6.661 1.00 0.00 H new ATOM 1376 N LYS A 86 12.166 5.958 7.630 1.00 0.00 N ATOM 1377 CA LYS A 86 13.635 6.044 7.861 1.00 0.00 C ATOM 1378 C LYS A 86 14.259 4.658 7.688 1.00 0.00 C ATOM 1379 O LYS A 86 15.357 4.520 7.187 1.00 0.00 O ATOM 1380 CB LYS A 86 13.900 6.550 9.281 1.00 0.00 C ATOM 1381 CG LYS A 86 13.375 7.981 9.418 1.00 0.00 C ATOM 1382 CD LYS A 86 13.747 8.532 10.797 1.00 0.00 C ATOM 1383 CE LYS A 86 13.120 9.916 10.978 1.00 0.00 C ATOM 1384 NZ LYS A 86 14.098 10.818 11.652 1.00 0.00 N ATOM 0 H LYS A 86 11.585 6.253 8.415 1.00 0.00 H new ATOM 0 HA LYS A 86 14.077 6.734 7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.411 5.901 10.007 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.968 6.521 9.496 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.799 8.611 8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.293 7.997 9.288 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.396 7.857 11.577 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.831 8.596 10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.836 10.328 10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.209 9.840 11.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.674 11.759 11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.348 10.426 12.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.955 10.899 11.068 1.00 0.00 H new ATOM 1398 N LYS A 87 13.567 3.628 8.094 1.00 0.00 N ATOM 1399 CA LYS A 87 14.124 2.254 7.945 1.00 0.00 C ATOM 1400 C LYS A 87 13.639 1.656 6.624 1.00 0.00 C ATOM 1401 O LYS A 87 12.524 1.184 6.514 1.00 0.00 O ATOM 1402 CB LYS A 87 13.646 1.383 9.109 1.00 0.00 C ATOM 1403 CG LYS A 87 14.210 1.932 10.422 1.00 0.00 C ATOM 1404 CD LYS A 87 13.817 1.007 11.575 1.00 0.00 C ATOM 1405 CE LYS A 87 14.289 1.609 12.899 1.00 0.00 C ATOM 1406 NZ LYS A 87 13.197 1.509 13.908 1.00 0.00 N ATOM 0 H LYS A 87 12.642 3.679 8.521 1.00 0.00 H new ATOM 0 HA LYS A 87 15.213 2.295 7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.557 1.372 9.145 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.971 0.353 8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.295 2.010 10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.828 2.937 10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.736 0.869 11.592 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.262 0.022 11.432 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.176 1.084 13.254 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.572 2.652 12.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.518 1.918 14.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.363 2.029 13.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.947 0.510 14.052 1.00 0.00 H new ATOM 1420 N GLU A 88 14.467 1.679 5.617 1.00 0.00 N ATOM 1421 CA GLU A 88 14.059 1.120 4.297 1.00 0.00 C ATOM 1422 C GLU A 88 13.802 -0.385 4.419 1.00 0.00 C ATOM 1423 O GLU A 88 12.904 -0.920 3.801 1.00 0.00 O ATOM 1424 CB GLU A 88 15.172 1.363 3.277 1.00 0.00 C ATOM 1425 CG GLU A 88 14.699 0.921 1.890 1.00 0.00 C ATOM 1426 CD GLU A 88 15.845 1.069 0.887 1.00 0.00 C ATOM 1427 OE1 GLU A 88 16.920 1.468 1.302 1.00 0.00 O ATOM 1428 OE2 GLU A 88 15.628 0.780 -0.277 1.00 0.00 O ATOM 0 H GLU A 88 15.412 2.062 5.651 1.00 0.00 H new ATOM 0 HA GLU A 88 13.143 1.613 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.441 2.419 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.067 0.810 3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.362 -0.115 1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.847 1.524 1.576 1.00 0.00 H new ATOM 1435 N LYS A 89 14.586 -1.075 5.204 1.00 0.00 N ATOM 1436 CA LYS A 89 14.381 -2.542 5.348 1.00 0.00 C ATOM 1437 C LYS A 89 12.975 -2.817 5.881 1.00 0.00 C ATOM 1438 O LYS A 89 12.272 -3.680 5.392 1.00 0.00 O ATOM 1439 CB LYS A 89 15.415 -3.098 6.328 1.00 0.00 C ATOM 1440 CG LYS A 89 16.819 -2.923 5.745 1.00 0.00 C ATOM 1441 CD LYS A 89 17.842 -3.582 6.672 1.00 0.00 C ATOM 1442 CE LYS A 89 19.254 -3.297 6.159 1.00 0.00 C ATOM 1443 NZ LYS A 89 19.882 -4.567 5.698 1.00 0.00 N ATOM 0 H LYS A 89 15.356 -0.687 5.749 1.00 0.00 H new ATOM 0 HA LYS A 89 14.496 -3.023 4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.340 -2.580 7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.219 -4.153 6.520 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.871 -3.370 4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.047 -1.863 5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.728 -3.200 7.686 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.670 -4.657 6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 89 19.216 -2.579 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 89 19.855 -2.848 6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 20.842 -4.373 5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.931 -5.238 6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.312 -4.978 4.931 1.00 0.00 H new ATOM 1457 N ASP A 90 12.557 -2.084 6.874 1.00 0.00 N ATOM 1458 CA ASP A 90 11.197 -2.295 7.433 1.00 0.00 C ATOM 1459 C ASP A 90 10.150 -1.961 6.370 1.00 0.00 C ATOM 1460 O ASP A 90 9.139 -2.623 6.248 1.00 0.00 O ATOM 1461 CB ASP A 90 11.007 -1.383 8.645 1.00 0.00 C ATOM 1462 CG ASP A 90 11.920 -1.848 9.780 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.487 -2.922 9.657 1.00 0.00 O ATOM 1464 OD2 ASP A 90 12.038 -1.122 10.753 1.00 0.00 O ATOM 0 H ASP A 90 13.101 -1.347 7.322 1.00 0.00 H new ATOM 0 HA ASP A 90 11.081 -3.336 7.736 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.238 -0.352 8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.967 -1.403 8.969 1.00 0.00 H new ATOM 1469 N ARG A 91 10.386 -0.933 5.602 1.00 0.00 N ATOM 1470 CA ARG A 91 9.407 -0.548 4.547 1.00 0.00 C ATOM 1471 C ARG A 91 9.195 -1.720 3.588 1.00 0.00 C ATOM 1472 O ARG A 91 8.089 -1.998 3.166 1.00 0.00 O ATOM 1473 CB ARG A 91 9.951 0.655 3.773 1.00 0.00 C ATOM 1474 CG ARG A 91 8.887 1.165 2.800 1.00 0.00 C ATOM 1475 CD ARG A 91 9.407 2.416 2.089 1.00 0.00 C ATOM 1476 NE ARG A 91 10.499 2.037 1.150 1.00 0.00 N ATOM 1477 CZ ARG A 91 11.381 2.926 0.783 1.00 0.00 C ATOM 1478 NH1 ARG A 91 11.308 4.146 1.240 1.00 0.00 N ATOM 1479 NH2 ARG A 91 12.338 2.594 -0.041 1.00 0.00 N ATOM 0 H ARG A 91 11.216 -0.342 5.660 1.00 0.00 H new ATOM 0 HA ARG A 91 8.455 -0.288 5.010 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.234 1.448 4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.851 0.372 3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.645 0.392 2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.967 1.395 3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.597 2.901 1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.775 3.136 2.820 1.00 0.00 H new ATOM 0 HE ARG A 91 10.558 1.083 0.794 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.561 4.405 1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.998 4.840 0.953 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.396 1.640 -0.398 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.028 3.289 -0.328 1.00 0.00 H new ATOM 1493 N ASN A 92 10.246 -2.408 3.238 1.00 0.00 N ATOM 1494 CA ASN A 92 10.106 -3.558 2.306 1.00 0.00 C ATOM 1495 C ASN A 92 9.177 -4.608 2.917 1.00 0.00 C ATOM 1496 O ASN A 92 8.372 -5.211 2.236 1.00 0.00 O ATOM 1497 CB ASN A 92 11.483 -4.173 2.061 1.00 0.00 C ATOM 1498 CG ASN A 92 12.376 -3.160 1.342 1.00 0.00 C ATOM 1499 OD1 ASN A 92 11.890 -2.204 0.772 1.00 0.00 O ATOM 1500 ND2 ASN A 92 13.670 -3.331 1.345 1.00 0.00 N ATOM 0 H ASN A 92 11.196 -2.222 3.558 1.00 0.00 H new ATOM 0 HA ASN A 92 9.683 -3.214 1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 92 11.936 -4.465 3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 92 11.387 -5.078 1.462 1.00 0.00 H new ATOM 0 HD21 ASN A 92 14.274 -2.661 0.868 1.00 0.00 H new ATOM 0 HD22 ASN A 92 14.077 -4.134 1.824 1.00 0.00 H new ATOM 1507 N ASP A 93 9.280 -4.831 4.197 1.00 0.00 N ATOM 1508 CA ASP A 93 8.404 -5.841 4.849 1.00 0.00 C ATOM 1509 C ASP A 93 6.938 -5.451 4.651 1.00 0.00 C ATOM 1510 O ASP A 93 6.083 -6.291 4.451 1.00 0.00 O ATOM 1511 CB ASP A 93 8.725 -5.896 6.342 1.00 0.00 C ATOM 1512 CG ASP A 93 10.131 -6.463 6.542 1.00 0.00 C ATOM 1513 OD1 ASP A 93 10.681 -6.983 5.585 1.00 0.00 O ATOM 1514 OD2 ASP A 93 10.635 -6.369 7.649 1.00 0.00 O ATOM 0 H ASP A 93 9.934 -4.357 4.820 1.00 0.00 H new ATOM 0 HA ASP A 93 8.578 -6.820 4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.659 -4.898 6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.994 -6.518 6.859 1.00 0.00 H new ATOM 1519 N LEU A 94 6.642 -4.183 4.710 1.00 0.00 N ATOM 1520 CA LEU A 94 5.235 -3.736 4.529 1.00 0.00 C ATOM 1521 C LEU A 94 4.724 -4.161 3.151 1.00 0.00 C ATOM 1522 O LEU A 94 3.606 -4.612 3.006 1.00 0.00 O ATOM 1523 CB LEU A 94 5.182 -2.212 4.634 1.00 0.00 C ATOM 1524 CG LEU A 94 5.642 -1.772 6.026 1.00 0.00 C ATOM 1525 CD1 LEU A 94 5.584 -0.246 6.122 1.00 0.00 C ATOM 1526 CD2 LEU A 94 4.720 -2.379 7.086 1.00 0.00 C ATOM 0 H LEU A 94 7.316 -3.436 4.876 1.00 0.00 H new ATOM 0 HA LEU A 94 4.610 -4.189 5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.819 -1.763 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.167 -1.861 4.448 1.00 0.00 H new ATOM 0 HG LEU A 94 6.664 -2.112 6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.911 0.069 7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.238 0.191 5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.561 0.091 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.048 -2.065 8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.698 -2.039 6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.756 -3.466 7.020 1.00 0.00 H new ATOM 1538 N ILE A 95 5.533 -4.018 2.141 1.00 0.00 N ATOM 1539 CA ILE A 95 5.097 -4.406 0.776 1.00 0.00 C ATOM 1540 C ILE A 95 4.705 -5.883 0.761 1.00 0.00 C ATOM 1541 O ILE A 95 3.667 -6.255 0.249 1.00 0.00 O ATOM 1542 CB ILE A 95 6.251 -4.171 -0.196 1.00 0.00 C ATOM 1543 CG1 ILE A 95 6.641 -2.692 -0.176 1.00 0.00 C ATOM 1544 CG2 ILE A 95 5.813 -4.561 -1.602 1.00 0.00 C ATOM 1545 CD1 ILE A 95 7.881 -2.478 -1.046 1.00 0.00 C ATOM 0 H ILE A 95 6.481 -3.647 2.204 1.00 0.00 H new ATOM 0 HA ILE A 95 4.236 -3.807 0.479 1.00 0.00 H new ATOM 0 HB ILE A 95 7.108 -4.776 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.816 -2.083 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.842 -2.372 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.635 -4.394 -2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.533 -5.614 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.958 -3.954 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.158 -1.424 -1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.706 -3.076 -0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.664 -2.782 -2.070 1.00 0.00 H new ATOM 1557 N THR A 96 5.527 -6.727 1.316 1.00 0.00 N ATOM 1558 CA THR A 96 5.202 -8.181 1.333 1.00 0.00 C ATOM 1559 C THR A 96 3.898 -8.399 2.105 1.00 0.00 C ATOM 1560 O THR A 96 3.045 -9.169 1.705 1.00 0.00 O ATOM 1561 CB THR A 96 6.339 -8.942 2.021 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.581 -8.508 1.488 1.00 0.00 O ATOM 1563 CG2 THR A 96 6.179 -10.443 1.772 1.00 0.00 C ATOM 0 H THR A 96 6.410 -6.474 1.759 1.00 0.00 H new ATOM 0 HA THR A 96 5.084 -8.546 0.313 1.00 0.00 H new ATOM 0 HB THR A 96 6.309 -8.748 3.093 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.276 -8.584 2.175 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.990 -10.982 2.263 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.224 -10.779 2.175 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.210 -10.639 0.700 1.00 0.00 H new ATOM 1571 N TYR A 97 3.735 -7.722 3.209 1.00 0.00 N ATOM 1572 CA TYR A 97 2.487 -7.883 4.007 1.00 0.00 C ATOM 1573 C TYR A 97 1.281 -7.490 3.150 1.00 0.00 C ATOM 1574 O TYR A 97 0.240 -8.112 3.204 1.00 0.00 O ATOM 1575 CB TYR A 97 2.553 -6.984 5.245 1.00 0.00 C ATOM 1576 CG TYR A 97 1.320 -7.195 6.090 1.00 0.00 C ATOM 1577 CD1 TYR A 97 1.300 -8.207 7.058 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.197 -6.381 5.904 1.00 0.00 C ATOM 1579 CE1 TYR A 97 0.155 -8.402 7.840 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -0.947 -6.578 6.687 1.00 0.00 C ATOM 1581 CZ TYR A 97 -0.967 -7.588 7.655 1.00 0.00 C ATOM 1582 OH TYR A 97 -2.096 -7.781 8.426 1.00 0.00 O ATOM 0 H TYR A 97 4.413 -7.064 3.593 1.00 0.00 H new ATOM 0 HA TYR A 97 2.386 -8.922 4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.447 -7.212 5.825 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.626 -5.939 4.944 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.166 -8.836 7.201 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.213 -5.601 5.157 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.138 -9.182 8.587 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.814 -5.950 6.544 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.782 -7.130 8.170 1.00 0.00 H new ATOM 1592 N LEU A 98 1.415 -6.459 2.359 1.00 0.00 N ATOM 1593 CA LEU A 98 0.277 -6.027 1.500 1.00 0.00 C ATOM 1594 C LEU A 98 -0.184 -7.193 0.630 1.00 0.00 C ATOM 1595 O LEU A 98 -1.365 -7.411 0.444 1.00 0.00 O ATOM 1596 CB LEU A 98 0.725 -4.874 0.604 1.00 0.00 C ATOM 1597 CG LEU A 98 -0.012 -3.597 1.006 1.00 0.00 C ATOM 1598 CD1 LEU A 98 0.226 -3.313 2.488 1.00 0.00 C ATOM 1599 CD2 LEU A 98 0.509 -2.428 0.171 1.00 0.00 C ATOM 0 H LEU A 98 2.263 -5.899 2.271 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.548 -5.700 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.802 -4.728 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.521 -5.111 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.080 -3.723 0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.300 -2.402 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.145 -4.148 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.294 -3.186 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.015 -1.516 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.577 -2.303 0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.337 -2.631 -0.886 1.00 0.00 H new ATOM 1611 N LYS A 99 0.733 -7.950 0.101 1.00 0.00 N ATOM 1612 CA LYS A 99 0.330 -9.102 -0.747 1.00 0.00 C ATOM 1613 C LYS A 99 -0.574 -10.015 0.078 1.00 0.00 C ATOM 1614 O LYS A 99 -1.553 -10.545 -0.407 1.00 0.00 O ATOM 1615 CB LYS A 99 1.573 -9.875 -1.192 1.00 0.00 C ATOM 1616 CG LYS A 99 1.164 -10.982 -2.165 1.00 0.00 C ATOM 1617 CD LYS A 99 2.413 -11.711 -2.668 1.00 0.00 C ATOM 1618 CE LYS A 99 3.071 -12.467 -1.510 1.00 0.00 C ATOM 1619 NZ LYS A 99 3.462 -13.830 -1.968 1.00 0.00 N ATOM 0 H LYS A 99 1.738 -7.822 0.218 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.200 -8.748 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.282 -9.200 -1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.076 -10.305 -0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.494 -11.686 -1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.615 -10.557 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.144 -12.407 -3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.116 -10.996 -3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.948 -11.924 -1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.381 -12.538 -0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.909 -14.345 -1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.616 -14.346 -2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.134 -13.751 -2.758 1.00 0.00 H new ATOM 1633 N LYS A 100 -0.251 -10.197 1.328 1.00 0.00 N ATOM 1634 CA LYS A 100 -1.089 -11.068 2.197 1.00 0.00 C ATOM 1635 C LYS A 100 -2.504 -10.490 2.308 1.00 0.00 C ATOM 1636 O LYS A 100 -3.472 -11.218 2.398 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.462 -11.159 3.590 1.00 0.00 C ATOM 1638 CG LYS A 100 -1.250 -12.160 4.437 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.551 -12.350 5.785 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.593 -11.041 6.575 1.00 0.00 C ATOM 1641 NZ LYS A 100 -0.617 -11.343 8.034 1.00 0.00 N ATOM 0 H LYS A 100 0.559 -9.779 1.786 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.143 -12.064 1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.579 -11.472 3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.466 -10.179 4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.268 -11.801 4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.324 -13.115 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.040 -13.143 6.351 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.483 -12.659 5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.277 -10.430 6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.475 -10.464 6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.931 -10.501 8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.274 -12.129 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.337 -11.610 8.349 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.635 -9.189 2.313 1.00 0.00 N ATOM 1656 CA ALA A 101 -3.992 -8.584 2.433 1.00 0.00 C ATOM 1657 C ALA A 101 -4.861 -9.022 1.253 1.00 0.00 C ATOM 1658 O ALA A 101 -6.035 -9.293 1.405 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.873 -7.057 2.441 1.00 0.00 C ATOM 0 H ALA A 101 -1.865 -8.524 2.240 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.453 -8.918 3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.866 -6.615 2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.261 -6.744 3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.408 -6.723 1.513 1.00 0.00 H new ATOM 1665 N THR A 102 -4.301 -9.099 0.076 1.00 0.00 N ATOM 1666 CA THR A 102 -5.111 -9.523 -1.100 1.00 0.00 C ATOM 1667 C THR A 102 -5.439 -11.014 -0.987 1.00 0.00 C ATOM 1668 O THR A 102 -6.464 -11.470 -1.451 1.00 0.00 O ATOM 1669 CB THR A 102 -4.331 -9.252 -2.392 1.00 0.00 C ATOM 1670 OG1 THR A 102 -5.234 -8.821 -3.401 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.621 -10.526 -2.859 1.00 0.00 C ATOM 0 H THR A 102 -3.323 -8.888 -0.121 1.00 0.00 H new ATOM 0 HA THR A 102 -6.041 -8.954 -1.123 1.00 0.00 H new ATOM 0 HB THR A 102 -3.586 -8.479 -2.203 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.087 -9.344 -4.217 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.071 -10.320 -3.777 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.927 -10.860 -2.087 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.359 -11.306 -3.045 1.00 0.00 H new ATOM 1679 N GLU A 103 -4.576 -11.777 -0.375 1.00 0.00 N ATOM 1680 CA GLU A 103 -4.840 -13.236 -0.234 1.00 0.00 C ATOM 1681 C GLU A 103 -5.257 -13.812 -1.589 1.00 0.00 C ATOM 1682 O GLU A 103 -4.664 -14.749 -2.086 1.00 0.00 O ATOM 1683 CB GLU A 103 -5.962 -13.457 0.781 1.00 0.00 C ATOM 1684 CG GLU A 103 -6.138 -14.957 1.032 1.00 0.00 C ATOM 1685 CD GLU A 103 -7.326 -15.183 1.968 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -7.953 -14.206 2.343 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -7.590 -16.329 2.292 1.00 0.00 O ATOM 0 H GLU A 103 -3.699 -11.453 0.034 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.935 -13.737 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.727 -12.947 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.893 -13.028 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.301 -15.477 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.231 -15.372 1.472 1.00 0.00 H new TER 1694 GLU A 103 HETATM 1695 FE HEC A 104 -1.944 4.520 2.304 1.00 0.00 FE HETATM 1696 CHA HEC A 104 -3.222 4.671 -0.821 1.00 0.00 C HETATM 1697 CHB HEC A 104 0.055 1.968 1.357 1.00 0.00 C HETATM 1698 CHC HEC A 104 -0.791 4.248 5.473 1.00 0.00 C HETATM 1699 CHD HEC A 104 -3.904 7.112 3.231 1.00 0.00 C HETATM 1700 NA HEC A 104 -1.646 3.541 0.638 1.00 0.00 N HETATM 1701 C1A HEC A 104 -2.257 3.729 -0.581 1.00 0.00 C HETATM 1702 C2A HEC A 104 -1.725 2.838 -1.585 1.00 0.00 C HETATM 1703 C3A HEC A 104 -0.864 2.020 -0.935 1.00 0.00 C HETATM 1704 C4A HEC A 104 -0.773 2.507 0.411 1.00 0.00 C HETATM 1705 CMA HEC A 104 -0.328 0.721 -1.424 1.00 0.00 C HETATM 1706 CAA HEC A 104 -1.799 3.039 -3.063 1.00 0.00 C HETATM 1707 CBA HEC A 104 -0.918 4.198 -3.539 1.00 0.00 C HETATM 1708 CGA HEC A 104 -1.137 5.413 -2.635 1.00 0.00 C HETATM 1709 O1A HEC A 104 -0.547 5.447 -1.568 1.00 0.00 O HETATM 1710 O2A HEC A 104 -1.892 6.288 -3.025 1.00 0.00 O HETATM 1711 NB HEC A 104 -0.642 3.373 3.210 1.00 0.00 N HETATM 1712 C1B HEC A 104 0.125 2.369 2.665 1.00 0.00 C HETATM 1713 C2B HEC A 104 0.986 1.761 3.648 1.00 0.00 C HETATM 1714 C3B HEC A 104 0.629 2.298 4.844 1.00 0.00 C HETATM 1715 C4B HEC A 104 -0.303 3.360 4.544 1.00 0.00 C HETATM 1716 CMB HEC A 104 2.270 1.055 3.353 1.00 0.00 C HETATM 1717 CAB HEC A 104 0.810 1.655 6.180 1.00 0.00 C HETATM 1718 CBB HEC A 104 1.381 0.233 6.078 1.00 0.00 C HETATM 1719 NC HEC A 104 -2.252 5.490 3.975 1.00 0.00 N HETATM 1720 C1C HEC A 104 -1.692 5.251 5.210 1.00 0.00 C HETATM 1721 C2C HEC A 104 -2.165 6.191 6.196 1.00 0.00 C HETATM 1722 C3C HEC A 104 -3.116 6.936 5.584 1.00 0.00 C HETATM 1723 C4C HEC A 104 -3.110 6.544 4.196 1.00 0.00 C HETATM 1724 CMC HEC A 104 -1.486 6.526 7.480 1.00 0.00 C HETATM 1725 CAC HEC A 104 -4.161 7.753 6.264 1.00 0.00 C HETATM 1726 CBC HEC A 104 -3.739 9.209 6.476 1.00 0.00 C HETATM 1727 ND HEC A 104 -3.260 5.650 1.402 1.00 0.00 N HETATM 1728 C1D HEC A 104 -3.977 6.701 1.925 1.00 0.00 C HETATM 1729 C2D HEC A 104 -4.831 7.306 0.935 1.00 0.00 C HETATM 1730 C3D HEC A 104 -4.726 6.539 -0.174 1.00 0.00 C HETATM 1731 C4D HEC A 104 -3.698 5.567 0.100 1.00 0.00 C HETATM 1732 CMD HEC A 104 -5.396 8.683 0.993 1.00 0.00 C HETATM 1733 CAD HEC A 104 -5.679 6.511 -1.318 1.00 0.00 C HETATM 1734 CBD HEC A 104 -5.083 7.110 -2.592 1.00 0.00 C HETATM 1735 CGD HEC A 104 -5.273 6.134 -3.755 1.00 0.00 C HETATM 1736 O1D HEC A 104 -6.302 5.478 -3.788 1.00 0.00 O HETATM 1737 O2D HEC A 104 -4.389 6.059 -4.591 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -6.015 8.785 1.884 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 -4.583 9.408 1.030 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 -6.004 8.865 0.107 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.391 5.626 8.087 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.495 6.930 7.273 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.075 7.267 8.020 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 2.077 0.210 2.693 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 2.961 1.744 2.868 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.710 0.696 4.283 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -1.153 0.031 -1.603 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 0.220 0.880 -2.353 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.342 0.299 -0.675 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -5.565 8.061 -2.819 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -4.023 7.317 -2.447 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -2.841 9.241 7.093 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 -3.533 9.672 5.511 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -4.542 9.752 6.975 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 0.703 -0.391 5.496 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 2.354 0.266 5.588 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 1.492 -0.187 7.078 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 0.131 3.902 -3.520 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -1.159 4.452 -4.571 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 -5.980 5.481 -1.511 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 -6.581 7.061 -1.049 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 -1.493 2.122 -3.567 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -2.833 3.231 -3.350 1.00 0.00 H new HETATM 0 HHD HEC A 104 -4.526 7.957 3.526 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.435 4.148 6.498 1.00 0.00 H new HETATM 0 HHB HEC A 104 0.711 1.155 1.045 1.00 0.00 H new HETATM 0 HHA HEC A 104 -3.645 4.711 -1.825 1.00 0.00 H new