USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.852 K(o=-0.85,f=-0.051) USER MOD Set 2.1: A 57 ASN : amide:sc= -6.73! C(o=-6.7!,f=-1.5!) USER MOD Set 2.2: A 59 ASN : amide:sc= 0.0646 K(o=-6.7,f=-1.5) USER MOD Set 3.1: A 15 ASN : amide:sc= -0.765 X(o=0.39,f=-0.038!) USER MOD Set 3.2: A 19 THR OG1 : rot 111:sc= 1.16 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0849 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 73:sc= 1.06 USER MOD Single : A 12 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0055) USER MOD Single : A 18 THR OG1 : rot -112:sc= 0.544 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0812 K(o=-0.081,f=-2.7!) USER MOD Single : A 32 GLN : amide:sc= -4.13! C(o=-4.1!,f=-10!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= -0.0215 (180deg=-0.222) USER MOD Single : A 36 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.355) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.5!) USER MOD Single : A 40 CYS SG : rot 28:sc= -3.58! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.018) USER MOD Single : A 69 THR OG1 : rot -100:sc= -0.0312 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-1.1) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -72:sc= 0.974 USER MOD Single : A 93 ASN : amide:sc= -0.617 K(o=-0.62,f=-4.8!) USER MOD Single : A 97 ASN : amide:sc= -0.0318 K(o=-0.032,f=-0.55) USER MOD Single : A 98 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.25) USER MOD Single : A 99 GLN : amide:sc= -0.172 K(o=-0.17,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.424 -12.662 -3.700 1.00 0.00 N ATOM 2 CA GLY A 1 30.558 -11.538 -3.398 1.00 0.00 C ATOM 3 C GLY A 1 30.924 -10.297 -4.188 1.00 0.00 C ATOM 4 O GLY A 1 32.034 -10.188 -4.708 1.00 0.00 O ATOM 0 H1 GLY A 1 30.880 -13.395 -4.198 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.209 -12.343 -4.303 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.805 -13.055 -2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.525 -11.811 -3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.614 -11.316 -2.332 1.00 0.00 H new ATOM 8 N SER A 2 29.987 -9.358 -4.279 1.00 0.00 N ATOM 9 CA SER A 2 30.214 -8.120 -5.016 1.00 0.00 C ATOM 10 C SER A 2 29.817 -6.909 -4.179 1.00 0.00 C ATOM 11 O SER A 2 29.041 -7.023 -3.230 1.00 0.00 O ATOM 12 CB SER A 2 29.425 -8.130 -6.327 1.00 0.00 C ATOM 13 OG SER A 2 29.951 -7.190 -7.247 1.00 0.00 O ATOM 0 H SER A 2 29.064 -9.431 -3.852 1.00 0.00 H new ATOM 0 HA SER A 2 31.278 -8.050 -5.242 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.455 -9.128 -6.765 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.378 -7.901 -6.127 1.00 0.00 H new ATOM 0 HG SER A 2 29.430 -7.218 -8.077 1.00 0.00 H new ATOM 19 N SER A 3 30.356 -5.748 -4.537 1.00 0.00 N ATOM 20 CA SER A 3 30.062 -4.514 -3.817 1.00 0.00 C ATOM 21 C SER A 3 30.004 -3.327 -4.774 1.00 0.00 C ATOM 22 O SER A 3 30.928 -3.097 -5.553 1.00 0.00 O ATOM 23 CB SER A 3 31.119 -4.263 -2.739 1.00 0.00 C ATOM 24 OG SER A 3 30.609 -3.436 -1.708 1.00 0.00 O ATOM 0 H SER A 3 30.999 -5.636 -5.321 1.00 0.00 H new ATOM 0 HA SER A 3 29.087 -4.623 -3.342 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.447 -5.214 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.995 -3.793 -3.186 1.00 0.00 H new ATOM 0 HG SER A 3 31.303 -3.292 -1.031 1.00 0.00 H new ATOM 30 N GLY A 4 28.909 -2.575 -4.709 1.00 0.00 N ATOM 31 CA GLY A 4 28.749 -1.421 -5.574 1.00 0.00 C ATOM 32 C GLY A 4 27.356 -0.829 -5.499 1.00 0.00 C ATOM 33 O GLY A 4 26.790 -0.427 -6.515 1.00 0.00 O ATOM 0 H GLY A 4 28.130 -2.745 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.479 -0.660 -5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.963 -1.710 -6.603 1.00 0.00 H new ATOM 37 N SER A 5 26.801 -0.777 -4.292 1.00 0.00 N ATOM 38 CA SER A 5 25.462 -0.235 -4.090 1.00 0.00 C ATOM 39 C SER A 5 25.483 1.290 -4.122 1.00 0.00 C ATOM 40 O SER A 5 26.463 1.917 -3.720 1.00 0.00 O ATOM 41 CB SER A 5 24.889 -0.721 -2.757 1.00 0.00 C ATOM 42 OG SER A 5 25.709 -0.320 -1.673 1.00 0.00 O ATOM 0 H SER A 5 27.257 -1.103 -3.440 1.00 0.00 H new ATOM 0 HA SER A 5 24.826 -0.589 -4.902 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.883 -0.323 -2.623 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.803 -1.807 -2.769 1.00 0.00 H new ATOM 0 HG SER A 5 25.320 -0.641 -0.833 1.00 0.00 H new ATOM 48 N SER A 6 24.394 1.880 -4.604 1.00 0.00 N ATOM 49 CA SER A 6 24.287 3.332 -4.693 1.00 0.00 C ATOM 50 C SER A 6 22.983 3.820 -4.070 1.00 0.00 C ATOM 51 O SER A 6 21.966 3.128 -4.108 1.00 0.00 O ATOM 52 CB SER A 6 24.368 3.782 -6.153 1.00 0.00 C ATOM 53 OG SER A 6 23.269 3.291 -6.899 1.00 0.00 O ATOM 0 H SER A 6 23.573 1.375 -4.939 1.00 0.00 H new ATOM 0 HA SER A 6 25.119 3.767 -4.139 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.387 4.871 -6.201 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.299 3.428 -6.595 1.00 0.00 H new ATOM 0 HG SER A 6 23.343 3.594 -7.828 1.00 0.00 H new ATOM 59 N GLY A 7 23.021 5.019 -3.495 1.00 0.00 N ATOM 60 CA GLY A 7 21.836 5.580 -2.872 1.00 0.00 C ATOM 61 C GLY A 7 21.300 4.707 -1.756 1.00 0.00 C ATOM 62 O GLY A 7 20.105 4.413 -1.708 1.00 0.00 O ATOM 0 H GLY A 7 23.850 5.611 -3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.071 6.568 -2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.062 5.715 -3.627 1.00 0.00 H new ATOM 66 N TYR A 8 22.184 4.289 -0.856 1.00 0.00 N ATOM 67 CA TYR A 8 21.793 3.441 0.263 1.00 0.00 C ATOM 68 C TYR A 8 20.811 4.165 1.180 1.00 0.00 C ATOM 69 O TYR A 8 19.804 3.597 1.602 1.00 0.00 O ATOM 70 CB TYR A 8 23.026 3.008 1.058 1.00 0.00 C ATOM 71 CG TYR A 8 22.873 1.662 1.729 1.00 0.00 C ATOM 72 CD1 TYR A 8 22.601 0.520 0.985 1.00 0.00 C ATOM 73 CD2 TYR A 8 22.999 1.532 3.106 1.00 0.00 C ATOM 74 CE1 TYR A 8 22.459 -0.712 1.593 1.00 0.00 C ATOM 75 CE2 TYR A 8 22.860 0.303 3.723 1.00 0.00 C ATOM 76 CZ TYR A 8 22.590 -0.815 2.963 1.00 0.00 C ATOM 77 OH TYR A 8 22.450 -2.040 3.574 1.00 0.00 O ATOM 0 H TYR A 8 23.176 4.524 -0.880 1.00 0.00 H new ATOM 0 HA TYR A 8 21.300 2.557 -0.141 1.00 0.00 H new ATOM 0 HB2 TYR A 8 23.886 2.975 0.389 1.00 0.00 H new ATOM 0 HB3 TYR A 8 23.241 3.760 1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 8 22.499 0.597 -0.087 1.00 0.00 H new ATOM 0 HD2 TYR A 8 23.209 2.406 3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 8 22.247 -1.589 1.000 1.00 0.00 H new ATOM 0 HE2 TYR A 8 22.962 0.219 4.795 1.00 0.00 H new ATOM 0 HH TYR A 8 22.573 -1.939 4.541 1.00 0.00 H new ATOM 87 N ARG A 9 21.114 5.423 1.482 1.00 0.00 N ATOM 88 CA ARG A 9 20.260 6.227 2.349 1.00 0.00 C ATOM 89 C ARG A 9 18.794 6.087 1.949 1.00 0.00 C ATOM 90 O ARG A 9 17.933 5.830 2.790 1.00 0.00 O ATOM 91 CB ARG A 9 20.677 7.697 2.290 1.00 0.00 C ATOM 92 CG ARG A 9 21.960 7.997 3.049 1.00 0.00 C ATOM 93 CD ARG A 9 22.176 9.494 3.208 1.00 0.00 C ATOM 94 NE ARG A 9 23.559 9.814 3.551 1.00 0.00 N ATOM 95 CZ ARG A 9 23.922 10.926 4.180 1.00 0.00 C ATOM 96 NH1 ARG A 9 23.009 11.820 4.533 1.00 0.00 N ATOM 97 NH2 ARG A 9 25.201 11.146 4.457 1.00 0.00 N ATOM 0 H ARG A 9 21.944 5.908 1.140 1.00 0.00 H new ATOM 0 HA ARG A 9 20.377 5.864 3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 9 20.805 7.988 1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 9 19.873 8.311 2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 9 21.921 7.527 4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 9 22.807 7.560 2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 9 21.906 10.000 2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 9 21.512 9.876 3.984 1.00 0.00 H new ATOM 0 HE ARG A 9 24.286 9.147 3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 9 22.025 11.655 4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.291 12.673 5.016 1.00 0.00 H new ATOM 0 HH21 ARG A 9 25.907 10.461 4.187 1.00 0.00 H new ATOM 0 HH22 ARG A 9 25.479 12.000 4.940 1.00 0.00 H new ATOM 111 N ALA A 10 18.518 6.258 0.660 1.00 0.00 N ATOM 112 CA ALA A 10 17.158 6.149 0.149 1.00 0.00 C ATOM 113 C ALA A 10 16.677 4.703 0.172 1.00 0.00 C ATOM 114 O ALA A 10 15.560 4.415 0.606 1.00 0.00 O ATOM 115 CB ALA A 10 17.078 6.712 -1.262 1.00 0.00 C ATOM 0 H ALA A 10 19.219 6.473 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 10 16.504 6.732 0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.056 6.624 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 10 17.371 7.762 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.749 6.154 -1.915 1.00 0.00 H new ATOM 121 N THR A 11 17.526 3.794 -0.298 1.00 0.00 N ATOM 122 CA THR A 11 17.186 2.377 -0.333 1.00 0.00 C ATOM 123 C THR A 11 16.693 1.896 1.027 1.00 0.00 C ATOM 124 O THR A 11 15.682 1.200 1.121 1.00 0.00 O ATOM 125 CB THR A 11 18.393 1.521 -0.760 1.00 0.00 C ATOM 126 OG1 THR A 11 18.846 1.925 -2.058 1.00 0.00 O ATOM 127 CG2 THR A 11 18.028 0.044 -0.783 1.00 0.00 C ATOM 0 H THR A 11 18.454 4.014 -0.660 1.00 0.00 H new ATOM 0 HA THR A 11 16.389 2.261 -1.067 1.00 0.00 H new ATOM 0 HB THR A 11 19.192 1.671 -0.033 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.294 2.794 -1.992 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.896 -0.541 -1.087 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.711 -0.268 0.212 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.215 -0.119 -1.490 1.00 0.00 H new ATOM 135 N LYS A 12 17.412 2.272 2.079 1.00 0.00 N ATOM 136 CA LYS A 12 17.046 1.881 3.435 1.00 0.00 C ATOM 137 C LYS A 12 15.591 2.229 3.728 1.00 0.00 C ATOM 138 O LYS A 12 14.854 1.428 4.305 1.00 0.00 O ATOM 139 CB LYS A 12 17.961 2.570 4.451 1.00 0.00 C ATOM 140 CG LYS A 12 17.872 1.980 5.847 1.00 0.00 C ATOM 141 CD LYS A 12 18.423 0.565 5.891 1.00 0.00 C ATOM 142 CE LYS A 12 18.263 -0.054 7.272 1.00 0.00 C ATOM 143 NZ LYS A 12 16.853 -0.448 7.542 1.00 0.00 N ATOM 0 H LYS A 12 18.252 2.847 2.018 1.00 0.00 H new ATOM 0 HA LYS A 12 17.167 0.801 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.992 2.504 4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.707 3.629 4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.425 2.609 6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 12 16.833 1.977 6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.907 -0.050 5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.478 0.576 5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.907 -0.929 7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.593 0.657 8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.794 -0.912 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.249 0.399 7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.530 -1.107 6.805 1.00 0.00 H new ATOM 157 N LEU A 13 15.182 3.428 3.327 1.00 0.00 N ATOM 158 CA LEU A 13 13.812 3.882 3.546 1.00 0.00 C ATOM 159 C LEU A 13 12.840 3.136 2.637 1.00 0.00 C ATOM 160 O LEU A 13 11.912 2.481 3.110 1.00 0.00 O ATOM 161 CB LEU A 13 13.708 5.388 3.297 1.00 0.00 C ATOM 162 CG LEU A 13 12.355 6.028 3.613 1.00 0.00 C ATOM 163 CD1 LEU A 13 12.052 5.929 5.100 1.00 0.00 C ATOM 164 CD2 LEU A 13 12.333 7.479 3.158 1.00 0.00 C ATOM 0 H LEU A 13 15.779 4.103 2.849 1.00 0.00 H new ATOM 0 HA LEU A 13 13.546 3.672 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.472 5.888 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.943 5.580 2.250 1.00 0.00 H new ATOM 0 HG LEU A 13 11.582 5.486 3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.086 6.389 5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.025 4.881 5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.828 6.446 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.363 7.919 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.116 8.034 3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.504 7.526 2.082 1.00 0.00 H new ATOM 176 N TRP A 14 13.061 3.240 1.332 1.00 0.00 N ATOM 177 CA TRP A 14 12.205 2.573 0.357 1.00 0.00 C ATOM 178 C TRP A 14 12.018 1.103 0.713 1.00 0.00 C ATOM 179 O TRP A 14 10.948 0.534 0.497 1.00 0.00 O ATOM 180 CB TRP A 14 12.801 2.699 -1.046 1.00 0.00 C ATOM 181 CG TRP A 14 12.116 1.837 -2.062 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.576 0.660 -2.581 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.850 2.084 -2.683 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.671 0.161 -3.488 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.604 1.016 -3.567 1.00 0.00 C ATOM 186 CE3 TRP A 14 9.900 3.103 -2.576 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.447 0.941 -4.339 1.00 0.00 C ATOM 188 CZ3 TRP A 14 8.753 3.027 -3.344 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.534 1.952 -4.215 1.00 0.00 C ATOM 0 H TRP A 14 13.825 3.779 0.924 1.00 0.00 H new ATOM 0 HA TRP A 14 11.229 3.059 0.375 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.744 3.740 -1.365 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.858 2.435 -1.009 1.00 0.00 H new ATOM 0 HD1 TRP A 14 13.512 0.191 -2.318 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.777 -0.705 -4.016 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.059 3.935 -1.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.277 0.114 -5.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.013 3.810 -3.271 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.627 1.921 -4.800 1.00 0.00 H new ATOM 200 N ASN A 15 13.064 0.493 1.260 1.00 0.00 N ATOM 201 CA ASN A 15 13.013 -0.913 1.645 1.00 0.00 C ATOM 202 C ASN A 15 12.216 -1.096 2.933 1.00 0.00 C ATOM 203 O ASN A 15 11.659 -2.164 3.183 1.00 0.00 O ATOM 204 CB ASN A 15 14.429 -1.465 1.826 1.00 0.00 C ATOM 205 CG ASN A 15 14.454 -2.980 1.894 1.00 0.00 C ATOM 206 OD1 ASN A 15 13.712 -3.591 2.663 1.00 0.00 O ATOM 207 ND2 ASN A 15 15.312 -3.594 1.087 1.00 0.00 N ATOM 0 H ASN A 15 13.957 0.950 1.447 1.00 0.00 H new ATOM 0 HA ASN A 15 12.514 -1.464 0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.055 -1.131 0.999 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.862 -1.056 2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.375 -4.612 1.089 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.908 -3.047 0.466 1.00 0.00 H new ATOM 214 N GLU A 16 12.165 -0.044 3.745 1.00 0.00 N ATOM 215 CA GLU A 16 11.436 -0.089 5.007 1.00 0.00 C ATOM 216 C GLU A 16 9.939 0.099 4.778 1.00 0.00 C ATOM 217 O GLU A 16 9.117 -0.621 5.344 1.00 0.00 O ATOM 218 CB GLU A 16 11.956 0.987 5.961 1.00 0.00 C ATOM 219 CG GLU A 16 13.196 0.569 6.734 1.00 0.00 C ATOM 220 CD GLU A 16 13.717 1.667 7.640 1.00 0.00 C ATOM 221 OE1 GLU A 16 14.078 2.744 7.121 1.00 0.00 O ATOM 222 OE2 GLU A 16 13.765 1.449 8.869 1.00 0.00 O ATOM 0 H GLU A 16 12.619 0.848 3.551 1.00 0.00 H new ATOM 0 HA GLU A 16 11.597 -1.070 5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.181 1.888 5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.168 1.245 6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.966 -0.312 7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.978 0.282 6.031 1.00 0.00 H new ATOM 229 N VAL A 17 9.593 1.074 3.943 1.00 0.00 N ATOM 230 CA VAL A 17 8.196 1.358 3.637 1.00 0.00 C ATOM 231 C VAL A 17 7.572 0.233 2.820 1.00 0.00 C ATOM 232 O VAL A 17 6.382 -0.059 2.949 1.00 0.00 O ATOM 233 CB VAL A 17 8.049 2.682 2.863 1.00 0.00 C ATOM 234 CG1 VAL A 17 8.905 2.664 1.607 1.00 0.00 C ATOM 235 CG2 VAL A 17 6.589 2.938 2.520 1.00 0.00 C ATOM 0 H VAL A 17 10.261 1.680 3.467 1.00 0.00 H new ATOM 0 HA VAL A 17 7.674 1.443 4.590 1.00 0.00 H new ATOM 0 HB VAL A 17 8.398 3.496 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.788 3.607 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.951 2.530 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.590 1.842 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.503 3.877 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.212 2.123 1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.005 2.998 3.438 1.00 0.00 H new ATOM 245 N THR A 18 8.383 -0.399 1.977 1.00 0.00 N ATOM 246 CA THR A 18 7.911 -1.493 1.138 1.00 0.00 C ATOM 247 C THR A 18 7.735 -2.772 1.949 1.00 0.00 C ATOM 248 O THR A 18 6.732 -3.474 1.812 1.00 0.00 O ATOM 249 CB THR A 18 8.882 -1.767 -0.026 1.00 0.00 C ATOM 250 OG1 THR A 18 10.228 -1.821 0.461 1.00 0.00 O ATOM 251 CG2 THR A 18 8.766 -0.689 -1.093 1.00 0.00 C ATOM 0 H THR A 18 9.370 -0.172 1.857 1.00 0.00 H new ATOM 0 HA THR A 18 6.946 -1.187 0.733 1.00 0.00 H new ATOM 0 HB THR A 18 8.619 -2.726 -0.472 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.730 -1.052 0.120 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.461 -0.904 -1.905 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.748 -0.671 -1.482 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.005 0.281 -0.658 1.00 0.00 H new ATOM 259 N THR A 19 8.716 -3.071 2.795 1.00 0.00 N ATOM 260 CA THR A 19 8.669 -4.266 3.628 1.00 0.00 C ATOM 261 C THR A 19 7.435 -4.264 4.523 1.00 0.00 C ATOM 262 O THR A 19 6.707 -5.254 4.595 1.00 0.00 O ATOM 263 CB THR A 19 9.927 -4.386 4.509 1.00 0.00 C ATOM 264 OG1 THR A 19 11.092 -4.509 3.685 1.00 0.00 O ATOM 265 CG2 THR A 19 9.826 -5.589 5.435 1.00 0.00 C ATOM 0 H THR A 19 9.553 -2.502 2.921 1.00 0.00 H new ATOM 0 HA THR A 19 8.624 -5.120 2.953 1.00 0.00 H new ATOM 0 HB THR A 19 10.006 -3.485 5.117 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.630 -3.693 3.755 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.725 -5.653 6.047 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.955 -5.479 6.081 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.725 -6.498 4.841 1.00 0.00 H new ATOM 273 N SER A 20 7.204 -3.146 5.204 1.00 0.00 N ATOM 274 CA SER A 20 6.058 -3.017 6.097 1.00 0.00 C ATOM 275 C SER A 20 4.753 -3.002 5.307 1.00 0.00 C ATOM 276 O SER A 20 3.843 -3.787 5.574 1.00 0.00 O ATOM 277 CB SER A 20 6.177 -1.740 6.932 1.00 0.00 C ATOM 278 OG SER A 20 6.937 -1.968 8.106 1.00 0.00 O ATOM 0 H SER A 20 7.795 -2.316 5.154 1.00 0.00 H new ATOM 0 HA SER A 20 6.049 -3.879 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.646 -0.956 6.338 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.183 -1.384 7.202 1.00 0.00 H new ATOM 0 HG SER A 20 7.000 -1.137 8.621 1.00 0.00 H new ATOM 284 N PHE A 21 4.669 -2.102 4.333 1.00 0.00 N ATOM 285 CA PHE A 21 3.475 -1.983 3.504 1.00 0.00 C ATOM 286 C PHE A 21 3.092 -3.333 2.905 1.00 0.00 C ATOM 287 O PHE A 21 1.950 -3.777 3.027 1.00 0.00 O ATOM 288 CB PHE A 21 3.704 -0.963 2.386 1.00 0.00 C ATOM 289 CG PHE A 21 2.617 -0.955 1.350 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.688 -1.790 0.246 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.525 -0.113 1.478 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.690 -1.786 -0.710 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.523 -0.104 0.526 1.00 0.00 C ATOM 294 CZ PHE A 21 0.606 -0.941 -0.570 1.00 0.00 C ATOM 0 H PHE A 21 5.413 -1.445 4.098 1.00 0.00 H new ATOM 0 HA PHE A 21 2.656 -1.641 4.137 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.785 0.032 2.824 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.656 -1.176 1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.534 -2.452 0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.455 0.545 2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.757 -2.442 -1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.324 0.557 0.639 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.175 -0.935 -1.316 1.00 0.00 H new ATOM 304 N ARG A 22 4.054 -3.980 2.256 1.00 0.00 N ATOM 305 CA ARG A 22 3.818 -5.278 1.636 1.00 0.00 C ATOM 306 C ARG A 22 2.940 -6.154 2.525 1.00 0.00 C ATOM 307 O ARG A 22 1.906 -6.659 2.090 1.00 0.00 O ATOM 308 CB ARG A 22 5.146 -5.984 1.359 1.00 0.00 C ATOM 309 CG ARG A 22 5.007 -7.230 0.499 1.00 0.00 C ATOM 310 CD ARG A 22 4.429 -8.392 1.291 1.00 0.00 C ATOM 311 NE ARG A 22 4.900 -9.682 0.793 1.00 0.00 N ATOM 312 CZ ARG A 22 4.326 -10.841 1.097 1.00 0.00 C ATOM 313 NH1 ARG A 22 3.267 -10.871 1.893 1.00 0.00 N ATOM 314 NH2 ARG A 22 4.813 -11.973 0.604 1.00 0.00 N ATOM 0 H ARG A 22 5.004 -3.627 2.146 1.00 0.00 H new ATOM 0 HA ARG A 22 3.299 -5.112 0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.823 -5.286 0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.607 -6.258 2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.364 -7.014 -0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.982 -7.509 0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.703 -8.287 2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.341 -8.359 1.241 1.00 0.00 H new ATOM 0 HE ARG A 22 5.714 -9.694 0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.891 -10.003 2.274 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.828 -11.762 2.125 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.628 -11.953 -0.009 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.372 -12.863 0.838 1.00 0.00 H new ATOM 328 N ALA A 23 3.361 -6.330 3.774 1.00 0.00 N ATOM 329 CA ALA A 23 2.613 -7.143 4.724 1.00 0.00 C ATOM 330 C ALA A 23 1.363 -6.414 5.206 1.00 0.00 C ATOM 331 O ALA A 23 0.242 -6.860 4.968 1.00 0.00 O ATOM 332 CB ALA A 23 3.495 -7.520 5.905 1.00 0.00 C ATOM 0 H ALA A 23 4.216 -5.920 4.151 1.00 0.00 H new ATOM 0 HA ALA A 23 2.297 -8.054 4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.923 -8.127 6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.355 -8.088 5.550 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.840 -6.615 6.405 1.00 0.00 H new ATOM 338 N GLY A 24 1.565 -5.290 5.886 1.00 0.00 N ATOM 339 CA GLY A 24 0.445 -4.518 6.392 1.00 0.00 C ATOM 340 C GLY A 24 -0.669 -5.395 6.927 1.00 0.00 C ATOM 341 O GLY A 24 -0.422 -6.324 7.695 1.00 0.00 O ATOM 0 H GLY A 24 2.484 -4.900 6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.793 -3.855 7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.054 -3.885 5.595 1.00 0.00 H new ATOM 345 N MET A 25 -1.900 -5.098 6.523 1.00 0.00 N ATOM 346 CA MET A 25 -3.057 -5.867 6.968 1.00 0.00 C ATOM 347 C MET A 25 -3.424 -6.937 5.945 1.00 0.00 C ATOM 348 O MET A 25 -3.438 -6.697 4.738 1.00 0.00 O ATOM 349 CB MET A 25 -4.251 -4.941 7.206 1.00 0.00 C ATOM 350 CG MET A 25 -5.494 -5.666 7.695 1.00 0.00 C ATOM 351 SD MET A 25 -5.567 -5.784 9.493 1.00 0.00 S ATOM 352 CE MET A 25 -6.882 -6.983 9.700 1.00 0.00 C ATOM 0 H MET A 25 -2.122 -4.331 5.889 1.00 0.00 H new ATOM 0 HA MET A 25 -2.796 -6.359 7.905 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.972 -4.182 7.937 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.486 -4.419 6.278 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.380 -5.145 7.333 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.517 -6.668 7.268 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.046 -7.163 10.762 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.798 -6.599 9.251 1.00 0.00 H new ATOM 0 HE3 MET A 25 -6.603 -7.917 9.213 1.00 0.00 H new ATOM 362 N PRO A 26 -3.728 -8.147 6.437 1.00 0.00 N ATOM 363 CA PRO A 26 -4.102 -9.278 5.582 1.00 0.00 C ATOM 364 C PRO A 26 -5.470 -9.089 4.935 1.00 0.00 C ATOM 365 O PRO A 26 -6.120 -8.060 5.124 1.00 0.00 O ATOM 366 CB PRO A 26 -4.128 -10.462 6.552 1.00 0.00 C ATOM 367 CG PRO A 26 -4.395 -9.854 7.885 1.00 0.00 C ATOM 368 CD PRO A 26 -3.732 -8.505 7.866 1.00 0.00 C ATOM 0 HA PRO A 26 -3.410 -9.406 4.750 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.903 -11.179 6.281 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.180 -11.000 6.545 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.466 -9.760 8.063 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.992 -10.475 8.685 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.284 -7.777 8.461 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.721 -8.548 8.272 1.00 0.00 H new ATOM 376 N LEU A 27 -5.901 -10.088 4.173 1.00 0.00 N ATOM 377 CA LEU A 27 -7.193 -10.031 3.498 1.00 0.00 C ATOM 378 C LEU A 27 -8.333 -9.956 4.509 1.00 0.00 C ATOM 379 O LEU A 27 -8.331 -10.666 5.515 1.00 0.00 O ATOM 380 CB LEU A 27 -7.374 -11.255 2.598 1.00 0.00 C ATOM 381 CG LEU A 27 -6.263 -11.509 1.579 1.00 0.00 C ATOM 382 CD1 LEU A 27 -6.447 -12.865 0.915 1.00 0.00 C ATOM 383 CD2 LEU A 27 -6.234 -10.402 0.535 1.00 0.00 C ATOM 0 H LEU A 27 -5.376 -10.946 4.007 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.216 -9.130 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.466 -12.137 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.316 -11.149 2.060 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.308 -11.511 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.647 -13.028 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.417 -13.648 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.409 -12.892 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.437 -10.599 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.191 -10.368 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.053 -9.445 1.024 1.00 0.00 H new ATOM 395 N ARG A 28 -9.305 -9.093 4.233 1.00 0.00 N ATOM 396 CA ARG A 28 -10.452 -8.927 5.118 1.00 0.00 C ATOM 397 C ARG A 28 -11.739 -8.758 4.315 1.00 0.00 C ATOM 398 O ARG A 28 -11.709 -8.355 3.152 1.00 0.00 O ATOM 399 CB ARG A 28 -10.246 -7.717 6.032 1.00 0.00 C ATOM 400 CG ARG A 28 -10.978 -7.825 7.360 1.00 0.00 C ATOM 401 CD ARG A 28 -10.374 -8.906 8.243 1.00 0.00 C ATOM 402 NE ARG A 28 -10.999 -10.207 8.021 1.00 0.00 N ATOM 403 CZ ARG A 28 -10.408 -11.363 8.298 1.00 0.00 C ATOM 404 NH1 ARG A 28 -9.182 -11.380 8.805 1.00 0.00 N ATOM 405 NH2 ARG A 28 -11.042 -12.506 8.069 1.00 0.00 N ATOM 0 H ARG A 28 -9.321 -8.498 3.404 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.541 -9.825 5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.180 -7.594 6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.582 -6.819 5.513 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.938 -6.867 7.878 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.030 -8.047 7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.304 -8.979 8.046 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.487 -8.624 9.290 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.942 -10.229 7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.691 -10.504 8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.730 -12.270 9.017 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.985 -12.497 7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.587 -13.393 8.282 1.00 0.00 H new ATOM 419 N LYS A 29 -12.867 -9.070 4.943 1.00 0.00 N ATOM 420 CA LYS A 29 -14.165 -8.953 4.289 1.00 0.00 C ATOM 421 C LYS A 29 -14.493 -7.494 3.989 1.00 0.00 C ATOM 422 O LYS A 29 -14.203 -6.604 4.789 1.00 0.00 O ATOM 423 CB LYS A 29 -15.259 -9.562 5.169 1.00 0.00 C ATOM 424 CG LYS A 29 -15.061 -11.041 5.448 1.00 0.00 C ATOM 425 CD LYS A 29 -16.153 -11.589 6.352 1.00 0.00 C ATOM 426 CE LYS A 29 -15.956 -11.147 7.794 1.00 0.00 C ATOM 427 NZ LYS A 29 -17.241 -11.122 8.547 1.00 0.00 N ATOM 0 H LYS A 29 -12.909 -9.406 5.905 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.120 -9.498 3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.294 -9.024 6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.225 -9.418 4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.055 -11.592 4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.088 -11.197 5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.126 -11.250 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.157 -12.678 6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.258 -11.823 8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.506 -10.155 7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.064 -10.816 9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.898 -10.458 8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.659 -12.074 8.553 1.00 0.00 H new ATOM 441 N HIS A 30 -15.101 -7.255 2.831 1.00 0.00 N ATOM 442 CA HIS A 30 -15.471 -5.903 2.426 1.00 0.00 C ATOM 443 C HIS A 30 -16.929 -5.849 1.981 1.00 0.00 C ATOM 444 O HIS A 30 -17.589 -6.881 1.857 1.00 0.00 O ATOM 445 CB HIS A 30 -14.562 -5.420 1.295 1.00 0.00 C ATOM 446 CG HIS A 30 -13.314 -4.746 1.776 1.00 0.00 C ATOM 447 ND1 HIS A 30 -12.588 -5.192 2.861 1.00 0.00 N ATOM 448 CD2 HIS A 30 -12.663 -3.654 1.313 1.00 0.00 C ATOM 449 CE1 HIS A 30 -11.545 -4.402 3.045 1.00 0.00 C ATOM 450 NE2 HIS A 30 -11.567 -3.461 2.118 1.00 0.00 N ATOM 0 H HIS A 30 -15.348 -7.980 2.157 1.00 0.00 H new ATOM 0 HA HIS A 30 -15.348 -5.246 3.287 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -14.288 -6.271 0.671 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -15.119 -4.728 0.663 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -12.952 -3.047 0.468 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.801 -4.508 3.821 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -10.881 -2.713 2.017 1.00 0.00 H new ATOM 458 N ARG A 31 -17.425 -4.639 1.742 1.00 0.00 N ATOM 459 CA ARG A 31 -18.806 -4.451 1.313 1.00 0.00 C ATOM 460 C ARG A 31 -19.232 -5.557 0.352 1.00 0.00 C ATOM 461 O ARG A 31 -20.296 -6.154 0.511 1.00 0.00 O ATOM 462 CB ARG A 31 -18.972 -3.086 0.642 1.00 0.00 C ATOM 463 CG ARG A 31 -19.344 -1.974 1.609 1.00 0.00 C ATOM 464 CD ARG A 31 -18.109 -1.314 2.202 1.00 0.00 C ATOM 465 NE ARG A 31 -18.442 -0.430 3.315 1.00 0.00 N ATOM 466 CZ ARG A 31 -17.679 0.587 3.699 1.00 0.00 C ATOM 467 NH1 ARG A 31 -16.545 0.847 3.062 1.00 0.00 N ATOM 468 NH2 ARG A 31 -18.049 1.347 4.722 1.00 0.00 N ATOM 0 H ARG A 31 -16.892 -3.775 1.838 1.00 0.00 H new ATOM 0 HA ARG A 31 -19.444 -4.495 2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.042 -2.822 0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.741 -3.160 -0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -19.944 -1.226 1.091 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -19.962 -2.379 2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -17.416 -2.083 2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.595 -0.744 1.428 1.00 0.00 H new ATOM 0 HE ARG A 31 -19.308 -0.603 3.826 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.257 0.265 2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.961 1.629 3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.920 1.150 5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -17.462 2.128 5.016 1.00 0.00 H new ATOM 482 N GLN A 32 -18.393 -5.824 -0.644 1.00 0.00 N ATOM 483 CA GLN A 32 -18.684 -6.857 -1.631 1.00 0.00 C ATOM 484 C GLN A 32 -18.734 -8.235 -0.978 1.00 0.00 C ATOM 485 O GLN A 32 -18.205 -8.434 0.116 1.00 0.00 O ATOM 486 CB GLN A 32 -17.632 -6.843 -2.741 1.00 0.00 C ATOM 487 CG GLN A 32 -16.279 -7.383 -2.304 1.00 0.00 C ATOM 488 CD GLN A 32 -15.370 -6.301 -1.754 1.00 0.00 C ATOM 489 OE1 GLN A 32 -15.798 -5.168 -1.531 1.00 0.00 O ATOM 490 NE2 GLN A 32 -14.107 -6.646 -1.534 1.00 0.00 N ATOM 0 H GLN A 32 -17.507 -5.340 -0.789 1.00 0.00 H new ATOM 0 HA GLN A 32 -19.661 -6.645 -2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -17.995 -7.434 -3.582 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.508 -5.821 -3.099 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -16.426 -8.150 -1.544 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.793 -7.864 -3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.796 -7.597 -1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.448 -5.960 -1.166 1.00 0.00 H new ATOM 499 N HIS A 33 -19.373 -9.183 -1.657 1.00 0.00 N ATOM 500 CA HIS A 33 -19.492 -10.543 -1.142 1.00 0.00 C ATOM 501 C HIS A 33 -18.392 -11.436 -1.709 1.00 0.00 C ATOM 502 O HIS A 33 -18.002 -11.298 -2.869 1.00 0.00 O ATOM 503 CB HIS A 33 -20.864 -11.123 -1.486 1.00 0.00 C ATOM 504 CG HIS A 33 -21.341 -12.153 -0.509 1.00 0.00 C ATOM 505 ND1 HIS A 33 -21.370 -13.502 -0.792 1.00 0.00 N ATOM 506 CD2 HIS A 33 -21.808 -12.025 0.755 1.00 0.00 C ATOM 507 CE1 HIS A 33 -21.836 -14.159 0.255 1.00 0.00 C ATOM 508 NE2 HIS A 33 -22.109 -13.286 1.208 1.00 0.00 N ATOM 0 H HIS A 33 -19.816 -9.035 -2.564 1.00 0.00 H new ATOM 0 HA HIS A 33 -19.383 -10.506 -0.058 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -21.591 -10.312 -1.531 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -20.822 -11.569 -2.480 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -21.923 -11.103 1.305 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.971 -15.229 0.321 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -22.482 -13.512 2.130 1.00 0.00 H new ATOM 516 N PHE A 34 -17.895 -12.351 -0.884 1.00 0.00 N ATOM 517 CA PHE A 34 -16.840 -13.266 -1.303 1.00 0.00 C ATOM 518 C PHE A 34 -17.063 -13.734 -2.737 1.00 0.00 C ATOM 519 O PHE A 34 -16.132 -13.773 -3.542 1.00 0.00 O ATOM 520 CB PHE A 34 -16.779 -14.472 -0.364 1.00 0.00 C ATOM 521 CG PHE A 34 -16.019 -15.636 -0.932 1.00 0.00 C ATOM 522 CD1 PHE A 34 -14.633 -15.644 -0.930 1.00 0.00 C ATOM 523 CD2 PHE A 34 -16.690 -16.723 -1.468 1.00 0.00 C ATOM 524 CE1 PHE A 34 -13.932 -16.714 -1.453 1.00 0.00 C ATOM 525 CE2 PHE A 34 -15.994 -17.796 -1.993 1.00 0.00 C ATOM 526 CZ PHE A 34 -14.613 -17.792 -1.984 1.00 0.00 C ATOM 0 H PHE A 34 -18.206 -12.479 0.079 1.00 0.00 H new ATOM 0 HA PHE A 34 -15.891 -12.731 -1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -16.315 -14.169 0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -17.794 -14.791 -0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.095 -14.805 -0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -17.770 -16.732 -1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.852 -16.707 -1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -16.530 -18.636 -2.410 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.067 -18.630 -2.391 1.00 0.00 H new ATOM 536 N LYS A 35 -18.304 -14.090 -3.051 1.00 0.00 N ATOM 537 CA LYS A 35 -18.653 -14.556 -4.387 1.00 0.00 C ATOM 538 C LYS A 35 -18.042 -13.653 -5.455 1.00 0.00 C ATOM 539 O LYS A 35 -17.252 -14.103 -6.285 1.00 0.00 O ATOM 540 CB LYS A 35 -20.174 -14.602 -4.553 1.00 0.00 C ATOM 541 CG LYS A 35 -20.627 -15.331 -5.806 1.00 0.00 C ATOM 542 CD LYS A 35 -22.135 -15.514 -5.831 1.00 0.00 C ATOM 543 CE LYS A 35 -22.578 -16.618 -4.883 1.00 0.00 C ATOM 544 NZ LYS A 35 -22.178 -17.965 -5.375 1.00 0.00 N ATOM 0 H LYS A 35 -19.086 -14.064 -2.397 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.250 -15.561 -4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.612 -15.089 -3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -20.560 -13.583 -4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.313 -14.771 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.141 -16.305 -5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -22.621 -14.578 -5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.457 -15.752 -6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -22.143 -16.447 -3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -23.661 -16.582 -4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -22.716 -18.695 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.377 -18.036 -6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -21.161 -18.107 -5.210 1.00 0.00 H new ATOM 558 N LYS A 36 -18.412 -12.377 -5.426 1.00 0.00 N ATOM 559 CA LYS A 36 -17.899 -11.410 -6.389 1.00 0.00 C ATOM 560 C LYS A 36 -16.381 -11.296 -6.290 1.00 0.00 C ATOM 561 O LYS A 36 -15.659 -11.672 -7.214 1.00 0.00 O ATOM 562 CB LYS A 36 -18.539 -10.039 -6.157 1.00 0.00 C ATOM 563 CG LYS A 36 -20.043 -10.027 -6.369 1.00 0.00 C ATOM 564 CD LYS A 36 -20.401 -10.207 -7.834 1.00 0.00 C ATOM 565 CE LYS A 36 -20.547 -8.867 -8.541 1.00 0.00 C ATOM 566 NZ LYS A 36 -19.273 -8.436 -9.180 1.00 0.00 N ATOM 0 H LYS A 36 -19.065 -11.989 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 36 -18.156 -11.760 -7.389 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.321 -9.713 -5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -18.080 -9.314 -6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -20.501 -10.823 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -20.455 -9.085 -6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.630 -10.798 -8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -21.333 -10.766 -7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -21.327 -8.939 -9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.868 -8.111 -7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.008 -7.495 -8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -18.522 -9.117 -8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.399 -8.394 -10.212 1.00 0.00 H new ATOM 580 N TYR A 37 -15.903 -10.778 -5.164 1.00 0.00 N ATOM 581 CA TYR A 37 -14.471 -10.615 -4.945 1.00 0.00 C ATOM 582 C TYR A 37 -14.174 -10.314 -3.479 1.00 0.00 C ATOM 583 O TYR A 37 -15.048 -9.871 -2.735 1.00 0.00 O ATOM 584 CB TYR A 37 -13.923 -9.492 -5.828 1.00 0.00 C ATOM 585 CG TYR A 37 -14.704 -8.201 -5.719 1.00 0.00 C ATOM 586 CD1 TYR A 37 -15.842 -7.988 -6.486 1.00 0.00 C ATOM 587 CD2 TYR A 37 -14.302 -7.194 -4.851 1.00 0.00 C ATOM 588 CE1 TYR A 37 -16.558 -6.811 -6.391 1.00 0.00 C ATOM 589 CE2 TYR A 37 -15.012 -6.014 -4.748 1.00 0.00 C ATOM 590 CZ TYR A 37 -16.139 -5.827 -5.520 1.00 0.00 C ATOM 591 OH TYR A 37 -16.849 -4.652 -5.422 1.00 0.00 O ATOM 0 H TYR A 37 -16.487 -10.464 -4.389 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.980 -11.551 -5.212 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -12.884 -9.303 -5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.927 -9.823 -6.867 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.173 -8.756 -7.169 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.419 -7.336 -4.246 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.441 -6.662 -6.995 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -14.686 -5.242 -4.067 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.422 -4.066 -4.763 1.00 0.00 H new ATOM 601 N GLY A 38 -12.933 -10.560 -3.070 1.00 0.00 N ATOM 602 CA GLY A 38 -12.542 -10.310 -1.696 1.00 0.00 C ATOM 603 C GLY A 38 -11.040 -10.181 -1.535 1.00 0.00 C ATOM 604 O GLY A 38 -10.558 -9.298 -0.826 1.00 0.00 O ATOM 0 H GLY A 38 -12.192 -10.928 -3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.022 -9.396 -1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.904 -11.122 -1.065 1.00 0.00 H new ATOM 608 N ASN A 39 -10.298 -11.066 -2.193 1.00 0.00 N ATOM 609 CA ASN A 39 -8.841 -11.048 -2.118 1.00 0.00 C ATOM 610 C ASN A 39 -8.296 -9.660 -2.439 1.00 0.00 C ATOM 611 O ASN A 39 -7.388 -9.168 -1.768 1.00 0.00 O ATOM 612 CB ASN A 39 -8.248 -12.077 -3.082 1.00 0.00 C ATOM 613 CG ASN A 39 -6.746 -12.218 -2.925 1.00 0.00 C ATOM 614 OD1 ASN A 39 -6.073 -11.307 -2.443 1.00 0.00 O ATOM 615 ND2 ASN A 39 -6.214 -13.364 -3.333 1.00 0.00 N ATOM 0 H ASN A 39 -10.681 -11.804 -2.784 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.551 -11.305 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.721 -13.044 -2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.478 -11.785 -4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.209 -13.517 -3.253 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.811 -14.092 -3.726 1.00 0.00 H new ATOM 622 N CYS A 40 -8.857 -9.034 -3.468 1.00 0.00 N ATOM 623 CA CYS A 40 -8.428 -7.702 -3.879 1.00 0.00 C ATOM 624 C CYS A 40 -9.004 -6.635 -2.953 1.00 0.00 C ATOM 625 O CYS A 40 -10.092 -6.799 -2.402 1.00 0.00 O ATOM 626 CB CYS A 40 -8.856 -7.428 -5.321 1.00 0.00 C ATOM 627 SG CYS A 40 -10.625 -7.650 -5.621 1.00 0.00 S ATOM 0 H CYS A 40 -9.610 -9.428 -4.033 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.340 -7.662 -3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -8.579 -6.407 -5.583 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.300 -8.089 -5.986 1.00 0.00 H new ATOM 0 HG CYS A 40 -11.282 -7.431 -4.521 1.00 0.00 H new ATOM 633 N PHE A 41 -8.265 -5.544 -2.785 1.00 0.00 N ATOM 634 CA PHE A 41 -8.701 -4.451 -1.924 1.00 0.00 C ATOM 635 C PHE A 41 -8.682 -3.124 -2.678 1.00 0.00 C ATOM 636 O PHE A 41 -7.792 -2.870 -3.491 1.00 0.00 O ATOM 637 CB PHE A 41 -7.805 -4.360 -0.687 1.00 0.00 C ATOM 638 CG PHE A 41 -6.338 -4.397 -1.004 1.00 0.00 C ATOM 639 CD1 PHE A 41 -5.688 -3.264 -1.468 1.00 0.00 C ATOM 640 CD2 PHE A 41 -5.609 -5.563 -0.840 1.00 0.00 C ATOM 641 CE1 PHE A 41 -4.337 -3.294 -1.760 1.00 0.00 C ATOM 642 CE2 PHE A 41 -4.258 -5.599 -1.131 1.00 0.00 C ATOM 643 CZ PHE A 41 -3.622 -4.463 -1.593 1.00 0.00 C ATOM 0 H PHE A 41 -7.361 -5.393 -3.234 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.724 -4.655 -1.609 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.030 -3.437 -0.153 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.044 -5.184 -0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.243 -2.348 -1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.102 -6.454 -0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.842 -2.404 -2.118 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.700 -6.514 -0.997 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.567 -4.489 -1.823 1.00 0.00 H new ATOM 653 N THR A 42 -9.670 -2.279 -2.402 1.00 0.00 N ATOM 654 CA THR A 42 -9.769 -0.979 -3.053 1.00 0.00 C ATOM 655 C THR A 42 -8.564 -0.106 -2.725 1.00 0.00 C ATOM 656 O THR A 42 -8.050 -0.136 -1.607 1.00 0.00 O ATOM 657 CB THR A 42 -11.054 -0.238 -2.637 1.00 0.00 C ATOM 658 OG1 THR A 42 -11.070 -0.044 -1.218 1.00 0.00 O ATOM 659 CG2 THR A 42 -12.290 -1.018 -3.060 1.00 0.00 C ATOM 0 H THR A 42 -10.414 -2.472 -1.731 1.00 0.00 H new ATOM 0 HA THR A 42 -9.797 -1.165 -4.127 1.00 0.00 H new ATOM 0 HB THR A 42 -11.066 0.731 -3.137 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.889 0.429 -0.962 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.185 -0.475 -2.755 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.290 -1.140 -4.143 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.281 -1.999 -2.585 1.00 0.00 H new ATOM 667 N ALA A 43 -8.117 0.671 -3.705 1.00 0.00 N ATOM 668 CA ALA A 43 -6.973 1.555 -3.519 1.00 0.00 C ATOM 669 C ALA A 43 -7.194 2.498 -2.341 1.00 0.00 C ATOM 670 O ALA A 43 -6.324 2.653 -1.485 1.00 0.00 O ATOM 671 CB ALA A 43 -6.707 2.349 -4.789 1.00 0.00 C ATOM 0 H ALA A 43 -8.530 0.707 -4.637 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.101 0.939 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.850 3.005 -4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.496 1.663 -5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.584 2.949 -5.033 1.00 0.00 H new ATOM 677 N GLY A 44 -8.365 3.127 -2.304 1.00 0.00 N ATOM 678 CA GLY A 44 -8.679 4.048 -1.226 1.00 0.00 C ATOM 679 C GLY A 44 -8.218 3.538 0.125 1.00 0.00 C ATOM 680 O GLY A 44 -7.465 4.212 0.825 1.00 0.00 O ATOM 0 H GLY A 44 -9.102 3.016 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.210 5.011 -1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.755 4.217 -1.199 1.00 0.00 H new ATOM 684 N GLU A 45 -8.674 2.344 0.491 1.00 0.00 N ATOM 685 CA GLU A 45 -8.305 1.746 1.769 1.00 0.00 C ATOM 686 C GLU A 45 -6.793 1.776 1.968 1.00 0.00 C ATOM 687 O GLU A 45 -6.303 2.166 3.027 1.00 0.00 O ATOM 688 CB GLU A 45 -8.813 0.305 1.848 1.00 0.00 C ATOM 689 CG GLU A 45 -8.303 -0.454 3.062 1.00 0.00 C ATOM 690 CD GLU A 45 -9.209 -0.302 4.268 1.00 0.00 C ATOM 691 OE1 GLU A 45 -10.190 -1.068 4.374 1.00 0.00 O ATOM 692 OE2 GLU A 45 -8.937 0.583 5.107 1.00 0.00 O ATOM 0 H GLU A 45 -9.298 1.773 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.769 2.331 2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.903 0.313 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.514 -0.227 0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.211 -1.511 2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.304 -0.098 3.315 1.00 0.00 H new ATOM 699 N ALA A 46 -6.059 1.361 0.941 1.00 0.00 N ATOM 700 CA ALA A 46 -4.603 1.341 1.001 1.00 0.00 C ATOM 701 C ALA A 46 -4.051 2.708 1.392 1.00 0.00 C ATOM 702 O ALA A 46 -3.158 2.811 2.233 1.00 0.00 O ATOM 703 CB ALA A 46 -4.025 0.899 -0.336 1.00 0.00 C ATOM 0 H ALA A 46 -6.449 1.034 0.057 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.306 0.625 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.937 0.889 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.385 -0.102 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.339 1.593 -1.116 1.00 0.00 H new ATOM 709 N VAL A 47 -4.587 3.756 0.774 1.00 0.00 N ATOM 710 CA VAL A 47 -4.148 5.117 1.058 1.00 0.00 C ATOM 711 C VAL A 47 -3.978 5.338 2.557 1.00 0.00 C ATOM 712 O VAL A 47 -2.966 5.879 3.004 1.00 0.00 O ATOM 713 CB VAL A 47 -5.144 6.154 0.507 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.706 7.564 0.874 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.286 6.007 -1.001 1.00 0.00 C ATOM 0 H VAL A 47 -5.326 3.688 0.074 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.186 5.249 0.563 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.118 5.973 0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.422 8.283 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.660 7.660 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.721 7.761 0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.994 6.748 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.316 6.161 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.650 5.007 -1.236 1.00 0.00 H new ATOM 725 N ASP A 48 -4.974 4.917 3.328 1.00 0.00 N ATOM 726 CA ASP A 48 -4.934 5.067 4.778 1.00 0.00 C ATOM 727 C ASP A 48 -3.841 4.194 5.386 1.00 0.00 C ATOM 728 O ASP A 48 -3.073 4.645 6.236 1.00 0.00 O ATOM 729 CB ASP A 48 -6.290 4.705 5.387 1.00 0.00 C ATOM 730 CG ASP A 48 -6.304 4.852 6.896 1.00 0.00 C ATOM 731 OD1 ASP A 48 -6.064 5.976 7.386 1.00 0.00 O ATOM 732 OD2 ASP A 48 -6.557 3.843 7.587 1.00 0.00 O ATOM 0 H ASP A 48 -5.819 4.469 2.973 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.709 6.109 5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.061 5.343 4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.541 3.678 5.122 1.00 0.00 H new ATOM 737 N TRP A 49 -3.777 2.943 4.944 1.00 0.00 N ATOM 738 CA TRP A 49 -2.778 2.006 5.446 1.00 0.00 C ATOM 739 C TRP A 49 -1.370 2.566 5.271 1.00 0.00 C ATOM 740 O TRP A 49 -0.582 2.597 6.217 1.00 0.00 O ATOM 741 CB TRP A 49 -2.899 0.664 4.723 1.00 0.00 C ATOM 742 CG TRP A 49 -1.642 -0.151 4.766 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.122 -0.912 3.758 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.747 -0.286 5.876 1.00 0.00 C ATOM 745 NE1 TRP A 49 0.041 -1.512 4.174 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.294 -1.144 5.469 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.722 0.235 7.172 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.345 -1.491 6.314 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.321 -0.111 8.010 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.344 -0.967 7.578 1.00 0.00 C ATOM 0 H TRP A 49 -4.404 2.554 4.240 1.00 0.00 H new ATOM 0 HA TRP A 49 -2.960 1.855 6.510 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.711 0.090 5.171 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.171 0.843 3.683 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.561 -1.025 2.778 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.623 -2.132 3.610 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.504 0.897 7.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.133 -2.151 5.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.349 0.285 9.015 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.147 -1.218 8.256 1.00 0.00 H new ATOM 761 N LEU A 50 -1.060 3.008 4.057 1.00 0.00 N ATOM 762 CA LEU A 50 0.253 3.567 3.759 1.00 0.00 C ATOM 763 C LEU A 50 0.459 4.892 4.487 1.00 0.00 C ATOM 764 O LEU A 50 1.552 5.183 4.972 1.00 0.00 O ATOM 765 CB LEU A 50 0.413 3.770 2.251 1.00 0.00 C ATOM 766 CG LEU A 50 1.820 4.122 1.767 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.760 2.941 1.954 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.789 4.555 0.308 1.00 0.00 C ATOM 0 H LEU A 50 -1.700 2.990 3.263 1.00 0.00 H new ATOM 0 HA LEU A 50 1.008 2.862 4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.094 2.858 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.266 4.562 1.937 1.00 0.00 H new ATOM 0 HG LEU A 50 2.192 4.954 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.757 3.210 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.806 2.676 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.392 2.089 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.799 4.802 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.397 3.743 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.149 5.431 0.202 1.00 0.00 H new ATOM 780 N TYR A 51 -0.600 5.691 4.560 1.00 0.00 N ATOM 781 CA TYR A 51 -0.537 6.985 5.228 1.00 0.00 C ATOM 782 C TYR A 51 0.041 6.845 6.633 1.00 0.00 C ATOM 783 O TYR A 51 1.070 7.440 6.956 1.00 0.00 O ATOM 784 CB TYR A 51 -1.928 7.616 5.298 1.00 0.00 C ATOM 785 CG TYR A 51 -1.967 8.914 6.072 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.606 10.114 5.471 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.363 8.941 7.403 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.639 11.303 6.174 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.400 10.126 8.113 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.037 11.304 7.494 1.00 0.00 C ATOM 791 OH TYR A 51 -2.071 12.485 8.199 1.00 0.00 O ATOM 0 H TYR A 51 -1.513 5.465 4.164 1.00 0.00 H new ATOM 0 HA TYR A 51 0.119 7.633 4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.287 7.796 4.285 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.616 6.907 5.759 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.294 10.117 4.437 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.647 8.020 7.891 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.355 12.227 5.692 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.711 10.130 9.147 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.375 12.311 9.114 1.00 0.00 H new ATOM 801 N ASP A 52 -0.628 6.054 7.465 1.00 0.00 N ATOM 802 CA ASP A 52 -0.181 5.833 8.835 1.00 0.00 C ATOM 803 C ASP A 52 1.284 5.409 8.868 1.00 0.00 C ATOM 804 O ASP A 52 2.092 5.983 9.599 1.00 0.00 O ATOM 805 CB ASP A 52 -1.048 4.770 9.512 1.00 0.00 C ATOM 806 CG ASP A 52 -0.287 3.985 10.562 1.00 0.00 C ATOM 807 OD1 ASP A 52 0.380 2.996 10.195 1.00 0.00 O ATOM 808 OD2 ASP A 52 -0.360 4.359 11.751 1.00 0.00 O ATOM 0 H ASP A 52 -1.482 5.555 7.214 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.280 6.772 9.379 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.910 5.250 9.975 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.432 4.084 8.757 1.00 0.00 H new ATOM 813 N LEU A 53 1.620 4.400 8.071 1.00 0.00 N ATOM 814 CA LEU A 53 2.988 3.897 8.009 1.00 0.00 C ATOM 815 C LEU A 53 3.963 5.013 7.649 1.00 0.00 C ATOM 816 O LEU A 53 5.038 5.127 8.239 1.00 0.00 O ATOM 817 CB LEU A 53 3.090 2.765 6.985 1.00 0.00 C ATOM 818 CG LEU A 53 4.504 2.301 6.637 1.00 0.00 C ATOM 819 CD1 LEU A 53 5.045 1.379 7.719 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.519 1.604 5.284 1.00 0.00 C ATOM 0 H LEU A 53 0.964 3.914 7.459 1.00 0.00 H new ATOM 0 HA LEU A 53 3.253 3.513 8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.531 1.909 7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.598 3.087 6.067 1.00 0.00 H new ATOM 0 HG LEU A 53 5.149 3.178 6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.053 1.059 7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.072 1.911 8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.399 0.506 7.809 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.534 1.280 5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.860 0.737 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.174 2.295 4.515 1.00 0.00 H new ATOM 832 N LEU A 54 3.579 5.837 6.680 1.00 0.00 N ATOM 833 CA LEU A 54 4.418 6.947 6.243 1.00 0.00 C ATOM 834 C LEU A 54 4.603 7.964 7.365 1.00 0.00 C ATOM 835 O LEU A 54 5.715 8.167 7.855 1.00 0.00 O ATOM 836 CB LEU A 54 3.801 7.627 5.019 1.00 0.00 C ATOM 837 CG LEU A 54 3.773 6.799 3.734 1.00 0.00 C ATOM 838 CD1 LEU A 54 2.835 7.427 2.715 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.175 6.662 3.158 1.00 0.00 C ATOM 0 H LEU A 54 2.692 5.757 6.182 1.00 0.00 H new ATOM 0 HA LEU A 54 5.396 6.548 5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.779 7.914 5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.352 8.547 4.823 1.00 0.00 H new ATOM 0 HG LEU A 54 3.401 5.803 3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.828 6.824 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.827 7.473 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.177 8.435 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.136 6.070 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.574 7.651 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.820 6.167 3.884 1.00 0.00 H new ATOM 851 N ARG A 55 3.508 8.600 7.767 1.00 0.00 N ATOM 852 CA ARG A 55 3.550 9.595 8.832 1.00 0.00 C ATOM 853 C ARG A 55 4.317 9.066 10.041 1.00 0.00 C ATOM 854 O ARG A 55 5.133 9.774 10.628 1.00 0.00 O ATOM 855 CB ARG A 55 2.131 9.989 9.247 1.00 0.00 C ATOM 856 CG ARG A 55 1.347 8.855 9.887 1.00 0.00 C ATOM 857 CD ARG A 55 -0.047 9.304 10.297 1.00 0.00 C ATOM 858 NE ARG A 55 -0.539 8.567 11.458 1.00 0.00 N ATOM 859 CZ ARG A 55 0.009 8.646 12.666 1.00 0.00 C ATOM 860 NH1 ARG A 55 1.062 9.426 12.870 1.00 0.00 N ATOM 861 NH2 ARG A 55 -0.497 7.945 13.672 1.00 0.00 N ATOM 0 H ARG A 55 2.581 8.444 7.372 1.00 0.00 H new ATOM 0 HA ARG A 55 4.068 10.476 8.452 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.185 10.823 9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.590 10.344 8.370 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.271 8.023 9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.884 8.488 10.761 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.033 10.370 10.524 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.733 9.165 9.462 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.348 7.958 11.335 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.453 9.967 12.099 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.481 9.485 13.798 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.307 7.345 13.519 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.076 8.006 14.599 1.00 0.00 H new ATOM 875 N ASN A 56 4.046 7.817 10.406 1.00 0.00 N ATOM 876 CA ASN A 56 4.710 7.194 11.545 1.00 0.00 C ATOM 877 C ASN A 56 6.211 7.464 11.515 1.00 0.00 C ATOM 878 O ASN A 56 6.815 7.782 12.539 1.00 0.00 O ATOM 879 CB ASN A 56 4.452 5.686 11.550 1.00 0.00 C ATOM 880 CG ASN A 56 4.878 5.030 12.849 1.00 0.00 C ATOM 881 OD1 ASN A 56 5.975 4.479 12.948 1.00 0.00 O ATOM 882 ND2 ASN A 56 4.011 5.087 13.853 1.00 0.00 N ATOM 0 H ASN A 56 3.372 7.217 9.930 1.00 0.00 H new ATOM 0 HA ASN A 56 4.299 7.630 12.456 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.391 5.501 11.384 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.989 5.226 10.721 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.243 4.664 14.752 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.113 5.554 13.726 1.00 0.00 H new ATOM 889 N ASN A 57 6.806 7.335 10.334 1.00 0.00 N ATOM 890 CA ASN A 57 8.237 7.566 10.170 1.00 0.00 C ATOM 891 C ASN A 57 8.564 9.053 10.269 1.00 0.00 C ATOM 892 O ASN A 57 7.667 9.891 10.354 1.00 0.00 O ATOM 893 CB ASN A 57 8.712 7.017 8.823 1.00 0.00 C ATOM 894 CG ASN A 57 10.224 6.978 8.716 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.863 6.008 9.126 1.00 0.00 O ATOM 896 ND2 ASN A 57 10.805 8.036 8.162 1.00 0.00 N ATOM 0 H ASN A 57 6.320 7.072 9.477 1.00 0.00 H new ATOM 0 HA ASN A 57 8.758 7.044 10.973 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.314 6.012 8.683 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.309 7.634 8.020 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.820 8.067 8.062 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.237 8.818 7.836 1.00 0.00 H new ATOM 903 N SER A 58 9.854 9.372 10.257 1.00 0.00 N ATOM 904 CA SER A 58 10.300 10.757 10.349 1.00 0.00 C ATOM 905 C SER A 58 10.403 11.388 8.964 1.00 0.00 C ATOM 906 O SER A 58 9.808 12.431 8.700 1.00 0.00 O ATOM 907 CB SER A 58 11.653 10.834 11.059 1.00 0.00 C ATOM 908 OG SER A 58 11.531 10.492 12.429 1.00 0.00 O ATOM 0 H SER A 58 10.609 8.690 10.184 1.00 0.00 H new ATOM 0 HA SER A 58 9.562 11.312 10.928 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.360 10.161 10.575 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.058 11.842 10.967 1.00 0.00 H new ATOM 0 HG SER A 58 12.410 10.547 12.859 1.00 0.00 H new ATOM 914 N ASN A 59 11.163 10.745 8.083 1.00 0.00 N ATOM 915 CA ASN A 59 11.345 11.242 6.724 1.00 0.00 C ATOM 916 C ASN A 59 10.066 11.894 6.207 1.00 0.00 C ATOM 917 O ASN A 59 10.071 13.052 5.791 1.00 0.00 O ATOM 918 CB ASN A 59 11.762 10.102 5.793 1.00 0.00 C ATOM 919 CG ASN A 59 13.212 9.700 5.986 1.00 0.00 C ATOM 920 OD1 ASN A 59 13.520 8.805 6.773 1.00 0.00 O ATOM 921 ND2 ASN A 59 14.110 10.361 5.266 1.00 0.00 N ATOM 0 H ASN A 59 11.662 9.879 8.286 1.00 0.00 H new ATOM 0 HA ASN A 59 12.134 11.994 6.742 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.121 9.238 5.971 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.607 10.406 4.758 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.101 10.134 5.353 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.809 11.096 4.626 1.00 0.00 H new ATOM 928 N PHE A 60 8.971 11.141 6.237 1.00 0.00 N ATOM 929 CA PHE A 60 7.684 11.644 5.772 1.00 0.00 C ATOM 930 C PHE A 60 7.028 12.523 6.832 1.00 0.00 C ATOM 931 O PHE A 60 6.450 13.564 6.521 1.00 0.00 O ATOM 932 CB PHE A 60 6.757 10.481 5.412 1.00 0.00 C ATOM 933 CG PHE A 60 7.280 9.621 4.297 1.00 0.00 C ATOM 934 CD1 PHE A 60 7.155 10.023 2.977 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.896 8.410 4.570 1.00 0.00 C ATOM 936 CE1 PHE A 60 7.636 9.234 1.949 1.00 0.00 C ATOM 937 CE2 PHE A 60 8.378 7.617 3.546 1.00 0.00 C ATOM 938 CZ PHE A 60 8.247 8.028 2.234 1.00 0.00 C ATOM 0 H PHE A 60 8.950 10.180 6.579 1.00 0.00 H new ATOM 0 HA PHE A 60 7.859 12.248 4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.603 9.862 6.296 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.783 10.878 5.128 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.676 10.964 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.000 8.083 5.594 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.534 9.560 0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.857 6.676 3.772 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.621 7.408 1.433 1.00 0.00 H new ATOM 948 N GLY A 61 7.121 12.095 8.088 1.00 0.00 N ATOM 949 CA GLY A 61 6.531 12.853 9.176 1.00 0.00 C ATOM 950 C GLY A 61 5.029 12.997 9.035 1.00 0.00 C ATOM 951 O GLY A 61 4.436 12.594 8.034 1.00 0.00 O ATOM 0 H GLY A 61 7.594 11.237 8.371 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.758 12.362 10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.986 13.843 9.213 1.00 0.00 H new ATOM 955 N PRO A 62 4.388 13.582 10.058 1.00 0.00 N ATOM 956 CA PRO A 62 2.937 13.791 10.068 1.00 0.00 C ATOM 957 C PRO A 62 2.496 14.846 9.059 1.00 0.00 C ATOM 958 O PRO A 62 1.316 14.941 8.723 1.00 0.00 O ATOM 959 CB PRO A 62 2.657 14.265 11.496 1.00 0.00 C ATOM 960 CG PRO A 62 3.938 14.874 11.951 1.00 0.00 C ATOM 961 CD PRO A 62 5.031 14.087 11.283 1.00 0.00 C ATOM 0 HA PRO A 62 2.393 12.888 9.790 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.843 14.990 11.520 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.363 13.435 12.138 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.990 15.927 11.674 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.029 14.825 13.036 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.894 14.712 11.055 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.385 13.273 11.916 1.00 0.00 H new ATOM 969 N GLU A 63 3.452 15.636 8.580 1.00 0.00 N ATOM 970 CA GLU A 63 3.160 16.685 7.609 1.00 0.00 C ATOM 971 C GLU A 63 2.574 16.094 6.330 1.00 0.00 C ATOM 972 O GLU A 63 1.805 16.749 5.626 1.00 0.00 O ATOM 973 CB GLU A 63 4.428 17.477 7.285 1.00 0.00 C ATOM 974 CG GLU A 63 5.583 16.611 6.813 1.00 0.00 C ATOM 975 CD GLU A 63 5.582 16.405 5.310 1.00 0.00 C ATOM 976 OE1 GLU A 63 5.304 17.379 4.579 1.00 0.00 O ATOM 977 OE2 GLU A 63 5.859 15.272 4.865 1.00 0.00 O ATOM 0 H GLU A 63 4.434 15.570 8.848 1.00 0.00 H new ATOM 0 HA GLU A 63 2.423 17.357 8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.199 18.214 6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.738 18.029 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.524 17.073 7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.532 15.642 7.309 1.00 0.00 H new ATOM 984 N VAL A 64 2.945 14.852 6.034 1.00 0.00 N ATOM 985 CA VAL A 64 2.458 14.173 4.840 1.00 0.00 C ATOM 986 C VAL A 64 0.941 14.018 4.877 1.00 0.00 C ATOM 987 O VAL A 64 0.371 13.611 5.889 1.00 0.00 O ATOM 988 CB VAL A 64 3.101 12.782 4.684 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.701 11.876 5.838 1.00 0.00 C ATOM 990 CG2 VAL A 64 2.712 12.162 3.350 1.00 0.00 C ATOM 0 H VAL A 64 3.581 14.296 6.605 1.00 0.00 H new ATOM 0 HA VAL A 64 2.737 14.792 3.987 1.00 0.00 H new ATOM 0 HB VAL A 64 4.185 12.898 4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.165 10.898 5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.034 12.316 6.778 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.617 11.764 5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.175 11.180 3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.628 12.059 3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.054 12.803 2.537 1.00 0.00 H new ATOM 1000 N THR A 65 0.292 14.346 3.764 1.00 0.00 N ATOM 1001 CA THR A 65 -1.159 14.245 3.668 1.00 0.00 C ATOM 1002 C THR A 65 -1.570 13.224 2.613 1.00 0.00 C ATOM 1003 O THR A 65 -0.750 12.788 1.805 1.00 0.00 O ATOM 1004 CB THR A 65 -1.796 15.605 3.326 1.00 0.00 C ATOM 1005 OG1 THR A 65 -1.309 16.070 2.062 1.00 0.00 O ATOM 1006 CG2 THR A 65 -1.487 16.633 4.404 1.00 0.00 C ATOM 0 H THR A 65 0.748 14.684 2.917 1.00 0.00 H new ATOM 0 HA THR A 65 -1.518 13.920 4.644 1.00 0.00 H new ATOM 0 HB THR A 65 -2.877 15.472 3.272 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.720 16.934 1.851 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.947 17.586 4.141 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.885 16.289 5.359 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.408 16.762 4.485 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.845 12.848 2.625 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.364 11.878 1.668 1.00 0.00 C ATOM 1016 C ARG A 66 -2.821 12.150 0.269 1.00 0.00 C ATOM 1017 O ARG A 66 -2.260 11.262 -0.373 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.894 11.918 1.649 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.535 11.273 2.867 1.00 0.00 C ATOM 1020 CD ARG A 66 -7.036 11.513 2.900 1.00 0.00 C ATOM 1021 NE ARG A 66 -7.718 10.871 1.780 1.00 0.00 N ATOM 1022 CZ ARG A 66 -8.999 10.521 1.802 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -9.734 10.752 2.882 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -9.548 9.941 0.743 1.00 0.00 N ATOM 0 H ARG A 66 -3.537 13.200 3.286 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.036 10.886 1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.221 12.956 1.583 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.251 11.414 0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.337 10.201 2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.081 11.674 3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.443 11.134 3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.232 12.585 2.877 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.181 10.681 0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.315 11.199 3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.718 10.482 2.897 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.986 9.763 -0.090 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.532 9.673 0.761 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.991 13.383 -0.198 1.00 0.00 N ATOM 1039 CA GLN A 67 -2.518 13.770 -1.522 1.00 0.00 C ATOM 1040 C GLN A 67 -1.121 13.218 -1.784 1.00 0.00 C ATOM 1041 O GLN A 67 -0.886 12.553 -2.792 1.00 0.00 O ATOM 1042 CB GLN A 67 -2.511 15.294 -1.658 1.00 0.00 C ATOM 1043 CG GLN A 67 -2.138 15.779 -3.050 1.00 0.00 C ATOM 1044 CD GLN A 67 -1.662 17.218 -3.059 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -2.466 18.150 -3.094 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -0.348 17.407 -3.026 1.00 0.00 N ATOM 0 H GLN A 67 -3.452 14.130 0.320 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.199 13.349 -2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.498 15.678 -1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.809 15.712 -0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.355 15.139 -3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.002 15.682 -3.708 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.282 16.605 -2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.031 18.354 -3.029 1.00 0.00 H new ATOM 1055 N GLN A 68 -0.198 13.499 -0.870 1.00 0.00 N ATOM 1056 CA GLN A 68 1.177 13.031 -1.004 1.00 0.00 C ATOM 1057 C GLN A 68 1.237 11.507 -0.979 1.00 0.00 C ATOM 1058 O GLN A 68 1.966 10.891 -1.758 1.00 0.00 O ATOM 1059 CB GLN A 68 2.045 13.606 0.116 1.00 0.00 C ATOM 1060 CG GLN A 68 2.195 15.118 0.054 1.00 0.00 C ATOM 1061 CD GLN A 68 3.268 15.559 -0.922 1.00 0.00 C ATOM 1062 OE1 GLN A 68 3.013 16.359 -1.823 1.00 0.00 O ATOM 1063 NE2 GLN A 68 4.477 15.038 -0.749 1.00 0.00 N ATOM 0 H GLN A 68 -0.377 14.048 -0.029 1.00 0.00 H new ATOM 0 HA GLN A 68 1.560 13.376 -1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.612 13.331 1.078 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.033 13.149 0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.242 15.562 -0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.435 15.496 1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.644 14.378 0.011 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.239 15.297 -1.376 1.00 0.00 H new ATOM 1072 N THR A 69 0.467 10.904 -0.079 1.00 0.00 N ATOM 1073 CA THR A 69 0.435 9.452 0.048 1.00 0.00 C ATOM 1074 C THR A 69 0.099 8.791 -1.283 1.00 0.00 C ATOM 1075 O THR A 69 0.744 7.822 -1.686 1.00 0.00 O ATOM 1076 CB THR A 69 -0.593 9.004 1.105 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.324 9.650 2.354 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.556 7.495 1.290 1.00 0.00 C ATOM 0 H THR A 69 -0.143 11.398 0.573 1.00 0.00 H new ATOM 0 HA THR A 69 1.430 9.140 0.364 1.00 0.00 H new ATOM 0 HB THR A 69 -1.586 9.287 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.156 9.033 2.945 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.290 7.202 2.041 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.790 7.007 0.344 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.439 7.193 1.618 1.00 0.00 H new ATOM 1086 N ILE A 70 -0.914 9.319 -1.963 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.333 8.780 -3.250 1.00 0.00 C ATOM 1088 C ILE A 70 -0.214 8.885 -4.281 1.00 0.00 C ATOM 1089 O ILE A 70 0.114 7.909 -4.955 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.580 9.509 -3.787 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.758 9.322 -2.828 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.934 9.000 -5.176 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.900 10.281 -3.082 1.00 0.00 C ATOM 0 H ILE A 70 -1.459 10.120 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.577 7.730 -3.088 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.359 10.574 -3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.127 8.300 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.407 9.450 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.817 9.524 -5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.099 9.180 -5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.140 7.931 -5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.700 10.092 -2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.547 11.306 -2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.277 10.137 -4.094 1.00 0.00 H new ATOM 1105 N GLN A 71 0.368 10.074 -4.395 1.00 0.00 N ATOM 1106 CA GLN A 71 1.452 10.305 -5.343 1.00 0.00 C ATOM 1107 C GLN A 71 2.522 9.226 -5.220 1.00 0.00 C ATOM 1108 O GLN A 71 3.015 8.709 -6.224 1.00 0.00 O ATOM 1109 CB GLN A 71 2.072 11.685 -5.114 1.00 0.00 C ATOM 1110 CG GLN A 71 1.276 12.821 -5.734 1.00 0.00 C ATOM 1111 CD GLN A 71 1.682 13.105 -7.167 1.00 0.00 C ATOM 1112 OE1 GLN A 71 1.191 12.470 -8.101 1.00 0.00 O ATOM 1113 NE2 GLN A 71 2.584 14.063 -7.348 1.00 0.00 N ATOM 0 H GLN A 71 0.108 10.892 -3.844 1.00 0.00 H new ATOM 0 HA GLN A 71 1.036 10.264 -6.350 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.163 11.860 -4.042 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.081 11.693 -5.525 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.215 12.575 -5.703 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.411 13.723 -5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.964 14.564 -6.545 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.896 14.298 -8.290 1.00 0.00 H new ATOM 1122 N LEU A 72 2.878 8.891 -3.985 1.00 0.00 N ATOM 1123 CA LEU A 72 3.891 7.872 -3.731 1.00 0.00 C ATOM 1124 C LEU A 72 3.405 6.497 -4.177 1.00 0.00 C ATOM 1125 O LEU A 72 4.138 5.748 -4.824 1.00 0.00 O ATOM 1126 CB LEU A 72 4.249 7.841 -2.244 1.00 0.00 C ATOM 1127 CG LEU A 72 5.349 6.860 -1.838 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.687 7.288 -2.419 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.434 6.749 -0.323 1.00 0.00 C ATOM 0 H LEU A 72 2.481 9.310 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 72 4.780 8.127 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.555 8.843 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.349 7.600 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 72 5.099 5.878 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.458 6.578 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.620 7.313 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.944 8.280 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.222 6.046 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.659 7.727 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.481 6.394 0.070 1.00 0.00 H new ATOM 1141 N LEU A 73 2.165 6.172 -3.830 1.00 0.00 N ATOM 1142 CA LEU A 73 1.579 4.888 -4.197 1.00 0.00 C ATOM 1143 C LEU A 73 1.915 4.529 -5.642 1.00 0.00 C ATOM 1144 O LEU A 73 2.198 3.373 -5.955 1.00 0.00 O ATOM 1145 CB LEU A 73 0.062 4.924 -4.008 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.636 3.566 -3.914 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.462 2.972 -2.526 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.112 3.700 -4.258 1.00 0.00 C ATOM 0 H LEU A 73 1.546 6.780 -3.295 1.00 0.00 H new ATOM 0 HA LEU A 73 2.002 4.124 -3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.158 5.486 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.374 5.477 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.175 2.891 -4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.965 2.006 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.600 2.839 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.896 3.644 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.592 2.724 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.587 4.391 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.216 4.081 -5.274 1.00 0.00 H new ATOM 1160 N ARG A 74 1.883 5.529 -6.517 1.00 0.00 N ATOM 1161 CA ARG A 74 2.184 5.319 -7.927 1.00 0.00 C ATOM 1162 C ARG A 74 3.502 4.569 -8.096 1.00 0.00 C ATOM 1163 O ARG A 74 3.593 3.618 -8.873 1.00 0.00 O ATOM 1164 CB ARG A 74 2.251 6.660 -8.662 1.00 0.00 C ATOM 1165 CG ARG A 74 0.926 7.404 -8.691 1.00 0.00 C ATOM 1166 CD ARG A 74 1.119 8.871 -9.043 1.00 0.00 C ATOM 1167 NE ARG A 74 -0.043 9.426 -9.733 1.00 0.00 N ATOM 1168 CZ ARG A 74 -0.215 9.363 -11.049 1.00 0.00 C ATOM 1169 NH1 ARG A 74 0.694 8.773 -11.812 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -1.299 9.891 -11.603 1.00 0.00 N ATOM 0 H ARG A 74 1.652 6.492 -6.274 1.00 0.00 H new ATOM 0 HA ARG A 74 1.384 4.716 -8.357 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.002 7.290 -8.184 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.584 6.488 -9.685 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.262 6.938 -9.419 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.440 7.323 -7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.306 9.441 -8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.001 8.979 -9.674 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.761 9.887 -9.174 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.528 8.366 -11.389 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.559 8.726 -12.822 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.001 10.345 -11.019 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.431 9.842 -12.613 1.00 0.00 H new ATOM 1184 N LYS A 75 4.522 5.003 -7.364 1.00 0.00 N ATOM 1185 CA LYS A 75 5.836 4.374 -7.430 1.00 0.00 C ATOM 1186 C LYS A 75 5.729 2.868 -7.209 1.00 0.00 C ATOM 1187 O LYS A 75 6.162 2.076 -8.046 1.00 0.00 O ATOM 1188 CB LYS A 75 6.772 4.988 -6.387 1.00 0.00 C ATOM 1189 CG LYS A 75 7.482 6.241 -6.870 1.00 0.00 C ATOM 1190 CD LYS A 75 6.661 7.489 -6.592 1.00 0.00 C ATOM 1191 CE LYS A 75 7.433 8.753 -6.940 1.00 0.00 C ATOM 1192 NZ LYS A 75 7.444 9.009 -8.407 1.00 0.00 N ATOM 0 H LYS A 75 4.464 5.789 -6.717 1.00 0.00 H new ATOM 0 HA LYS A 75 6.246 4.550 -8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.198 5.228 -5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.517 4.247 -6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.451 6.324 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.674 6.162 -7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.738 7.455 -7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.378 7.513 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.987 9.604 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.458 8.664 -6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.980 9.879 -8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.893 8.208 -8.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.468 9.119 -8.747 1.00 0.00 H new ATOM 1206 N PHE A 76 5.149 2.480 -6.078 1.00 0.00 N ATOM 1207 CA PHE A 76 4.985 1.069 -5.748 1.00 0.00 C ATOM 1208 C PHE A 76 4.525 0.275 -6.967 1.00 0.00 C ATOM 1209 O PHE A 76 5.205 -0.650 -7.412 1.00 0.00 O ATOM 1210 CB PHE A 76 3.979 0.904 -4.608 1.00 0.00 C ATOM 1211 CG PHE A 76 4.501 1.362 -3.276 1.00 0.00 C ATOM 1212 CD1 PHE A 76 4.354 2.680 -2.875 1.00 0.00 C ATOM 1213 CD2 PHE A 76 5.139 0.474 -2.425 1.00 0.00 C ATOM 1214 CE1 PHE A 76 4.833 3.105 -1.650 1.00 0.00 C ATOM 1215 CE2 PHE A 76 5.619 0.893 -1.198 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.467 2.210 -0.811 1.00 0.00 C ATOM 0 H PHE A 76 4.785 3.123 -5.375 1.00 0.00 H new ATOM 0 HA PHE A 76 5.952 0.681 -5.428 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.076 1.465 -4.847 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.693 -0.145 -4.536 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.859 3.384 -3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.263 -0.557 -2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.712 4.135 -1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.113 0.191 -0.542 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.843 2.539 0.146 1.00 0.00 H new ATOM 1226 N LEU A 77 3.366 0.643 -7.502 1.00 0.00 N ATOM 1227 CA LEU A 77 2.813 -0.034 -8.669 1.00 0.00 C ATOM 1228 C LEU A 77 3.834 -0.089 -9.801 1.00 0.00 C ATOM 1229 O LEU A 77 3.981 -1.112 -10.470 1.00 0.00 O ATOM 1230 CB LEU A 77 1.545 0.678 -9.144 1.00 0.00 C ATOM 1231 CG LEU A 77 1.001 0.244 -10.505 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.360 -1.132 -10.409 1.00 0.00 C ATOM 1233 CD2 LEU A 77 0.002 1.264 -11.030 1.00 0.00 C ATOM 0 H LEU A 77 2.791 1.407 -7.146 1.00 0.00 H new ATOM 0 HA LEU A 77 2.562 -1.055 -8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.765 0.525 -8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.746 1.749 -9.180 1.00 0.00 H new ATOM 0 HG LEU A 77 1.834 0.187 -11.206 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.022 -1.425 -11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.103 -1.857 -10.078 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.462 -1.102 -9.693 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.375 0.939 -12.000 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.828 1.354 -10.330 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.492 2.232 -11.137 1.00 0.00 H new ATOM 1245 N LYS A 78 4.538 1.018 -10.010 1.00 0.00 N ATOM 1246 CA LYS A 78 5.548 1.097 -11.058 1.00 0.00 C ATOM 1247 C LYS A 78 6.685 0.115 -10.794 1.00 0.00 C ATOM 1248 O LYS A 78 7.208 -0.507 -11.718 1.00 0.00 O ATOM 1249 CB LYS A 78 6.102 2.520 -11.155 1.00 0.00 C ATOM 1250 CG LYS A 78 7.156 2.690 -12.236 1.00 0.00 C ATOM 1251 CD LYS A 78 8.552 2.423 -11.701 1.00 0.00 C ATOM 1252 CE LYS A 78 8.971 3.477 -10.687 1.00 0.00 C ATOM 1253 NZ LYS A 78 10.451 3.535 -10.527 1.00 0.00 N ATOM 0 H LYS A 78 4.427 1.874 -9.466 1.00 0.00 H new ATOM 0 HA LYS A 78 5.075 0.832 -12.004 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.280 3.209 -11.350 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.532 2.800 -10.193 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.945 2.009 -13.061 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.107 3.702 -12.637 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.583 1.437 -11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.263 2.408 -12.527 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.601 4.452 -11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.510 3.258 -9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.696 4.265 -9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.801 2.612 -10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.890 3.769 -11.440 1.00 0.00 H new ATOM 1267 N ASN A 79 7.060 -0.021 -9.526 1.00 0.00 N ATOM 1268 CA ASN A 79 8.134 -0.929 -9.140 1.00 0.00 C ATOM 1269 C ASN A 79 7.637 -2.371 -9.092 1.00 0.00 C ATOM 1270 O ASN A 79 8.339 -3.266 -8.620 1.00 0.00 O ATOM 1271 CB ASN A 79 8.704 -0.529 -7.778 1.00 0.00 C ATOM 1272 CG ASN A 79 9.520 0.748 -7.846 1.00 0.00 C ATOM 1273 OD1 ASN A 79 10.619 0.767 -8.399 1.00 0.00 O ATOM 1274 ND2 ASN A 79 8.983 1.823 -7.280 1.00 0.00 N ATOM 0 H ASN A 79 6.636 0.486 -8.749 1.00 0.00 H new ATOM 0 HA ASN A 79 8.921 -0.859 -9.890 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.886 -0.397 -7.069 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.329 -1.337 -7.397 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.485 2.711 -7.293 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.069 1.761 -6.833 1.00 0.00 H new ATOM 1281 N HIS A 80 6.421 -2.589 -9.584 1.00 0.00 N ATOM 1282 CA HIS A 80 5.830 -3.922 -9.598 1.00 0.00 C ATOM 1283 C HIS A 80 5.578 -4.420 -8.178 1.00 0.00 C ATOM 1284 O HIS A 80 5.662 -5.617 -7.905 1.00 0.00 O ATOM 1285 CB HIS A 80 6.742 -4.899 -10.340 1.00 0.00 C ATOM 1286 CG HIS A 80 6.151 -6.267 -10.497 1.00 0.00 C ATOM 1287 ND1 HIS A 80 6.905 -7.382 -10.797 1.00 0.00 N ATOM 1288 CD2 HIS A 80 4.872 -6.696 -10.394 1.00 0.00 C ATOM 1289 CE1 HIS A 80 6.115 -8.438 -10.872 1.00 0.00 C ATOM 1290 NE2 HIS A 80 4.876 -8.049 -10.631 1.00 0.00 N ATOM 0 H HIS A 80 5.826 -1.860 -9.978 1.00 0.00 H new ATOM 0 HA HIS A 80 4.874 -3.863 -10.118 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.969 -4.494 -11.326 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.688 -4.980 -9.804 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.009 -6.088 -10.168 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.429 -9.448 -11.093 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.055 -8.655 -10.622 1.00 0.00 H new ATOM 1298 N VAL A 81 5.272 -3.493 -7.276 1.00 0.00 N ATOM 1299 CA VAL A 81 5.008 -3.837 -5.884 1.00 0.00 C ATOM 1300 C VAL A 81 3.569 -4.306 -5.697 1.00 0.00 C ATOM 1301 O VAL A 81 3.299 -5.213 -4.910 1.00 0.00 O ATOM 1302 CB VAL A 81 5.272 -2.642 -4.950 1.00 0.00 C ATOM 1303 CG1 VAL A 81 4.910 -2.994 -3.516 1.00 0.00 C ATOM 1304 CG2 VAL A 81 6.725 -2.200 -5.048 1.00 0.00 C ATOM 0 H VAL A 81 5.201 -2.497 -7.485 1.00 0.00 H new ATOM 0 HA VAL A 81 5.688 -4.648 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 81 4.641 -1.811 -5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.104 -2.137 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.854 -3.258 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.513 -3.840 -3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.894 -1.354 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.376 -3.025 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.947 -1.904 -6.073 1.00 0.00 H new ATOM 1314 N ILE A 82 2.650 -3.682 -6.426 1.00 0.00 N ATOM 1315 CA ILE A 82 1.239 -4.036 -6.341 1.00 0.00 C ATOM 1316 C ILE A 82 0.583 -4.015 -7.718 1.00 0.00 C ATOM 1317 O ILE A 82 0.657 -3.018 -8.436 1.00 0.00 O ATOM 1318 CB ILE A 82 0.474 -3.081 -5.406 1.00 0.00 C ATOM 1319 CG1 ILE A 82 0.799 -1.626 -5.750 1.00 0.00 C ATOM 1320 CG2 ILE A 82 0.815 -3.377 -3.953 1.00 0.00 C ATOM 1321 CD1 ILE A 82 -0.131 -0.628 -5.096 1.00 0.00 C ATOM 0 H ILE A 82 2.857 -2.929 -7.082 1.00 0.00 H new ATOM 0 HA ILE A 82 1.191 -5.046 -5.933 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.596 -3.237 -5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.823 -1.409 -5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.754 -1.498 -6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.267 -2.694 -3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.537 -4.404 -3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.886 -3.245 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.159 0.382 -5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.154 -0.818 -5.419 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.068 -0.728 -4.012 1.00 0.00 H new ATOM 1333 N GLU A 83 -0.059 -5.122 -8.078 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.729 -5.230 -9.369 1.00 0.00 C ATOM 1335 C GLU A 83 -2.237 -5.060 -9.215 1.00 0.00 C ATOM 1336 O GLU A 83 -2.804 -5.375 -8.169 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.420 -6.581 -10.018 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.426 -6.990 -11.080 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.990 -8.219 -11.855 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.180 -8.260 -12.291 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -1.817 -9.138 -12.025 1.00 0.00 O ATOM 0 H GLU A 83 -0.129 -5.956 -7.495 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.355 -4.433 -10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.573 -6.541 -10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.389 -7.348 -9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.388 -7.186 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.574 -6.162 -11.773 1.00 0.00 H new ATOM 1348 N ASP A 84 -2.880 -4.560 -10.265 1.00 0.00 N ATOM 1349 CA ASP A 84 -4.323 -4.348 -10.247 1.00 0.00 C ATOM 1350 C ASP A 84 -5.067 -5.648 -10.541 1.00 0.00 C ATOM 1351 O ASP A 84 -4.532 -6.546 -11.192 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.715 -3.280 -11.269 1.00 0.00 C ATOM 1353 CG ASP A 84 -6.005 -2.572 -10.900 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -5.956 -1.648 -10.061 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -7.062 -2.942 -11.452 1.00 0.00 O ATOM 0 H ASP A 84 -2.425 -4.294 -11.138 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.603 -4.007 -9.250 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.912 -2.547 -11.351 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.825 -3.743 -12.250 1.00 0.00 H new ATOM 1360 N ILE A 85 -6.300 -5.740 -10.057 1.00 0.00 N ATOM 1361 CA ILE A 85 -7.116 -6.929 -10.268 1.00 0.00 C ATOM 1362 C ILE A 85 -7.003 -7.425 -11.706 1.00 0.00 C ATOM 1363 O ILE A 85 -6.900 -8.627 -11.953 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.598 -6.660 -9.945 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -9.420 -7.940 -10.112 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -9.142 -5.554 -10.838 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -10.693 -7.951 -9.295 1.00 0.00 C ATOM 0 H ILE A 85 -6.756 -5.006 -9.516 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.738 -7.695 -9.591 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.675 -6.334 -8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.672 -8.065 -11.165 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.807 -8.795 -9.827 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.190 -5.375 -10.598 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.571 -4.640 -10.674 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.055 -5.854 -11.882 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.225 -8.888 -9.462 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.447 -7.857 -8.237 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.326 -7.116 -9.596 1.00 0.00 H new ATOM 1379 N LYS A 86 -7.022 -6.492 -12.651 1.00 0.00 N ATOM 1380 CA LYS A 86 -6.918 -6.833 -14.065 1.00 0.00 C ATOM 1381 C LYS A 86 -5.465 -7.075 -14.461 1.00 0.00 C ATOM 1382 O LYS A 86 -5.157 -8.028 -15.175 1.00 0.00 O ATOM 1383 CB LYS A 86 -7.513 -5.715 -14.925 1.00 0.00 C ATOM 1384 CG LYS A 86 -9.031 -5.722 -14.967 1.00 0.00 C ATOM 1385 CD LYS A 86 -9.560 -6.884 -15.792 1.00 0.00 C ATOM 1386 CE LYS A 86 -11.038 -7.127 -15.527 1.00 0.00 C ATOM 1387 NZ LYS A 86 -11.489 -8.441 -16.064 1.00 0.00 N ATOM 0 H LYS A 86 -7.108 -5.493 -12.464 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.480 -7.752 -14.234 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.173 -4.753 -14.541 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.129 -5.807 -15.941 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.424 -5.786 -13.952 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.389 -4.783 -15.388 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.408 -6.678 -16.852 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.994 -7.786 -15.558 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.226 -7.090 -14.454 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.625 -6.328 -15.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.501 -8.569 -15.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.334 -8.468 -17.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.947 -9.205 -15.612 1.00 0.00 H new ATOM 1401 N GLY A 87 -4.575 -6.205 -13.992 1.00 0.00 N ATOM 1402 CA GLY A 87 -3.165 -6.344 -14.307 1.00 0.00 C ATOM 1403 C GLY A 87 -2.570 -5.070 -14.874 1.00 0.00 C ATOM 1404 O GLY A 87 -1.972 -5.082 -15.949 1.00 0.00 O ATOM 0 H GLY A 87 -4.805 -5.407 -13.400 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.621 -6.626 -13.406 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.034 -7.154 -15.025 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.736 -3.968 -14.149 1.00 0.00 N ATOM 1409 CA ARG A 88 -2.213 -2.680 -14.588 1.00 0.00 C ATOM 1410 C ARG A 88 -0.807 -2.450 -14.043 1.00 0.00 C ATOM 1411 O ARG A 88 -0.316 -1.321 -14.020 1.00 0.00 O ATOM 1412 CB ARG A 88 -3.138 -1.549 -14.135 1.00 0.00 C ATOM 1413 CG ARG A 88 -4.562 -1.683 -14.650 1.00 0.00 C ATOM 1414 CD ARG A 88 -4.747 -0.956 -15.973 1.00 0.00 C ATOM 1415 NE ARG A 88 -4.500 -1.830 -17.117 1.00 0.00 N ATOM 1416 CZ ARG A 88 -5.416 -2.642 -17.632 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -6.633 -2.691 -17.109 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -5.115 -3.407 -18.674 1.00 0.00 N ATOM 0 H ARG A 88 -3.228 -3.942 -13.256 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.165 -2.688 -15.677 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.156 -1.520 -13.046 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.727 -0.598 -14.472 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.807 -2.738 -14.776 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.256 -1.281 -13.912 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.761 -0.561 -16.031 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.070 -0.103 -16.016 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.574 -1.816 -17.544 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.868 -2.104 -16.309 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.334 -3.316 -17.507 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.180 -3.371 -19.080 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.819 -4.031 -19.069 1.00 0.00 H new ATOM 1432 N TRP A 89 -0.164 -3.527 -13.606 1.00 0.00 N ATOM 1433 CA TRP A 89 1.186 -3.442 -13.061 1.00 0.00 C ATOM 1434 C TRP A 89 2.156 -2.881 -14.095 1.00 0.00 C ATOM 1435 O TRP A 89 1.971 -3.064 -15.297 1.00 0.00 O ATOM 1436 CB TRP A 89 1.658 -4.821 -12.596 1.00 0.00 C ATOM 1437 CG TRP A 89 2.125 -5.698 -13.718 1.00 0.00 C ATOM 1438 CD1 TRP A 89 1.346 -6.312 -14.657 1.00 0.00 C ATOM 1439 CD2 TRP A 89 3.477 -6.062 -14.015 1.00 0.00 C ATOM 1440 NE1 TRP A 89 2.133 -7.034 -15.521 1.00 0.00 N ATOM 1441 CE2 TRP A 89 3.445 -6.897 -15.149 1.00 0.00 C ATOM 1442 CE3 TRP A 89 4.713 -5.762 -13.435 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 4.599 -7.434 -15.711 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 5.858 -6.296 -13.994 1.00 0.00 C ATOM 1445 CH2 TRP A 89 5.795 -7.124 -15.123 1.00 0.00 C ATOM 0 H TRP A 89 -0.555 -4.469 -13.618 1.00 0.00 H new ATOM 0 HA TRP A 89 1.164 -2.766 -12.206 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.470 -4.697 -11.879 1.00 0.00 H new ATOM 0 HB3 TRP A 89 0.843 -5.318 -12.071 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.270 -6.240 -14.712 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.796 -7.583 -16.311 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.772 -5.124 -12.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 4.552 -8.073 -16.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 6.818 -6.072 -13.553 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.708 -7.525 -15.537 1.00 0.00 H new ATOM 1456 N GLY A 90 3.192 -2.197 -13.618 1.00 0.00 N ATOM 1457 CA GLY A 90 4.176 -1.620 -14.515 1.00 0.00 C ATOM 1458 C GLY A 90 3.984 -0.129 -14.706 1.00 0.00 C ATOM 1459 O GLY A 90 4.951 0.610 -14.889 1.00 0.00 O ATOM 0 H GLY A 90 3.367 -2.032 -12.627 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.175 -1.807 -14.122 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.116 -2.118 -15.483 1.00 0.00 H new ATOM 1463 N SER A 91 2.731 0.314 -14.664 1.00 0.00 N ATOM 1464 CA SER A 91 2.414 1.727 -14.839 1.00 0.00 C ATOM 1465 C SER A 91 2.439 2.459 -13.501 1.00 0.00 C ATOM 1466 O SER A 91 2.562 1.839 -12.445 1.00 0.00 O ATOM 1467 CB SER A 91 1.041 1.886 -15.495 1.00 0.00 C ATOM 1468 OG SER A 91 0.022 1.323 -14.687 1.00 0.00 O ATOM 0 H SER A 91 1.920 -0.285 -14.510 1.00 0.00 H new ATOM 0 HA SER A 91 3.172 2.166 -15.488 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.835 2.943 -15.662 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.043 1.403 -16.472 1.00 0.00 H new ATOM 0 HG SER A 91 0.086 0.345 -14.714 1.00 0.00 H new ATOM 1474 N GLU A 92 2.322 3.782 -13.555 1.00 0.00 N ATOM 1475 CA GLU A 92 2.332 4.599 -12.348 1.00 0.00 C ATOM 1476 C GLU A 92 1.012 5.348 -12.186 1.00 0.00 C ATOM 1477 O GLU A 92 0.925 6.319 -11.435 1.00 0.00 O ATOM 1478 CB GLU A 92 3.494 5.594 -12.388 1.00 0.00 C ATOM 1479 CG GLU A 92 3.421 6.569 -13.551 1.00 0.00 C ATOM 1480 CD GLU A 92 4.656 7.441 -13.660 1.00 0.00 C ATOM 1481 OE1 GLU A 92 5.159 7.891 -12.609 1.00 0.00 O ATOM 1482 OE2 GLU A 92 5.120 7.674 -14.795 1.00 0.00 O ATOM 0 H GLU A 92 2.219 4.310 -14.421 1.00 0.00 H new ATOM 0 HA GLU A 92 2.460 3.936 -11.493 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.512 6.156 -11.454 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.432 5.042 -12.446 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.291 6.012 -14.479 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.542 7.203 -13.434 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.012 4.890 -12.898 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.328 5.516 -12.836 1.00 0.00 C ATOM 1491 C ASN A 93 -2.180 4.884 -11.740 1.00 0.00 C ATOM 1492 O ASN A 93 -2.630 3.745 -11.868 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.039 5.394 -14.185 1.00 0.00 C ATOM 1494 CG ASN A 93 -3.379 6.104 -14.199 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -3.856 6.574 -13.166 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -3.992 6.186 -15.374 1.00 0.00 N ATOM 0 H ASN A 93 0.044 4.087 -13.525 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.190 6.571 -12.601 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.403 5.809 -14.967 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.187 4.340 -14.421 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.896 6.653 -15.446 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.559 5.782 -16.204 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.400 5.631 -10.663 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.199 5.144 -9.545 1.00 0.00 C ATOM 1505 C VAL A 94 -4.091 6.248 -8.986 1.00 0.00 C ATOM 1506 O VAL A 94 -3.870 7.430 -9.247 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.309 4.596 -8.414 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -1.465 3.434 -8.914 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.428 5.700 -7.848 1.00 0.00 C ATOM 0 H VAL A 94 -2.036 6.576 -10.541 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.822 4.336 -9.929 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.952 4.229 -7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.843 3.060 -8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.118 2.636 -9.268 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.829 3.772 -9.732 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.806 5.296 -7.050 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.791 6.099 -8.638 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.055 6.498 -7.450 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.098 5.853 -8.215 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.023 6.808 -7.616 1.00 0.00 C ATOM 1521 C ASP A 95 -6.783 6.175 -6.455 1.00 0.00 C ATOM 1522 O ASP A 95 -6.735 4.960 -6.258 1.00 0.00 O ATOM 1523 CB ASP A 95 -7.007 7.324 -8.667 1.00 0.00 C ATOM 1524 CG ASP A 95 -6.326 7.682 -9.973 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -5.835 8.824 -10.091 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -6.285 6.822 -10.877 1.00 0.00 O ATOM 0 H ASP A 95 -5.295 4.878 -7.990 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.442 7.646 -7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.766 6.564 -8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.523 8.202 -8.277 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.483 7.005 -5.690 1.00 0.00 N ATOM 1532 CA ASP A 96 -8.254 6.526 -4.548 1.00 0.00 C ATOM 1533 C ASP A 96 -9.602 5.972 -4.997 1.00 0.00 C ATOM 1534 O ASP A 96 -10.476 5.698 -4.176 1.00 0.00 O ATOM 1535 CB ASP A 96 -8.463 7.655 -3.538 1.00 0.00 C ATOM 1536 CG ASP A 96 -9.715 8.461 -3.822 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -10.027 8.674 -5.012 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -10.384 8.879 -2.853 1.00 0.00 O ATOM 0 H ASP A 96 -7.533 8.013 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.692 5.723 -4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.525 7.234 -2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.597 8.317 -3.553 1.00 0.00 H new ATOM 1543 N ASN A 97 -9.764 5.810 -6.307 1.00 0.00 N ATOM 1544 CA ASN A 97 -11.007 5.290 -6.865 1.00 0.00 C ATOM 1545 C ASN A 97 -11.336 3.922 -6.277 1.00 0.00 C ATOM 1546 O ASN A 97 -10.570 3.373 -5.487 1.00 0.00 O ATOM 1547 CB ASN A 97 -10.904 5.193 -8.389 1.00 0.00 C ATOM 1548 CG ASN A 97 -11.164 6.521 -9.072 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -12.100 7.240 -8.721 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -10.334 6.853 -10.054 1.00 0.00 N ATOM 0 H ASN A 97 -9.050 6.031 -7.001 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.810 5.979 -6.605 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.911 4.836 -8.661 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.619 4.455 -8.752 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.459 7.735 -10.551 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.572 6.226 -10.311 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.482 3.375 -6.671 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.914 2.070 -6.183 1.00 0.00 C ATOM 1559 C ASN A 98 -12.181 0.948 -6.912 1.00 0.00 C ATOM 1560 O ASN A 98 -12.534 -0.224 -6.780 1.00 0.00 O ATOM 1561 CB ASN A 98 -14.425 1.910 -6.363 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.788 1.336 -7.719 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -15.594 0.411 -7.819 1.00 0.00 O ATOM 1564 ND2 ASN A 98 -14.193 1.885 -8.772 1.00 0.00 N ATOM 0 H ASN A 98 -13.128 3.815 -7.327 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.673 2.008 -5.122 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.815 1.259 -5.580 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.907 2.880 -6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -14.398 1.541 -9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -13.531 2.650 -8.642 1.00 0.00 H new ATOM 1571 N GLN A 99 -11.161 1.316 -7.680 1.00 0.00 N ATOM 1572 CA GLN A 99 -10.379 0.339 -8.429 1.00 0.00 C ATOM 1573 C GLN A 99 -9.662 -0.622 -7.488 1.00 0.00 C ATOM 1574 O GLN A 99 -8.694 -0.250 -6.822 1.00 0.00 O ATOM 1575 CB GLN A 99 -9.362 1.049 -9.325 1.00 0.00 C ATOM 1576 CG GLN A 99 -9.986 1.731 -10.532 1.00 0.00 C ATOM 1577 CD GLN A 99 -10.066 0.820 -11.741 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -9.391 -0.208 -11.804 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -10.896 1.192 -12.709 1.00 0.00 N ATOM 0 H GLN A 99 -10.857 2.282 -7.800 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.063 -0.236 -9.052 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.827 1.793 -8.734 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.624 0.324 -9.669 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.988 2.074 -10.273 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.402 2.616 -10.787 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.436 2.052 -12.615 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -10.993 0.618 -13.546 1.00 0.00 H new ATOM 1588 N LEU A 100 -10.141 -1.860 -7.436 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.546 -2.876 -6.576 1.00 0.00 C ATOM 1590 C LEU A 100 -8.087 -3.118 -6.948 1.00 0.00 C ATOM 1591 O LEU A 100 -7.627 -2.693 -8.008 1.00 0.00 O ATOM 1592 CB LEU A 100 -10.334 -4.184 -6.677 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.817 -4.103 -6.315 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.610 -5.152 -7.079 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -12.011 -4.273 -4.815 1.00 0.00 C ATOM 0 H LEU A 100 -10.941 -2.184 -7.980 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.585 -2.514 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.249 -4.558 -7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.862 -4.921 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.187 -3.118 -6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.664 -5.080 -6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.498 -4.984 -8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.238 -6.145 -6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.073 -4.212 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.624 -5.244 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.475 -3.484 -4.287 1.00 0.00 H new ATOM 1607 N PHE A 101 -7.364 -3.806 -6.070 1.00 0.00 N ATOM 1608 CA PHE A 101 -5.957 -4.107 -6.307 1.00 0.00 C ATOM 1609 C PHE A 101 -5.590 -5.475 -5.741 1.00 0.00 C ATOM 1610 O PHE A 101 -6.377 -6.094 -5.025 1.00 0.00 O ATOM 1611 CB PHE A 101 -5.071 -3.029 -5.680 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.914 -1.807 -6.540 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -5.866 -0.801 -6.516 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -3.815 -1.665 -7.371 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -5.725 0.325 -7.306 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -3.668 -0.541 -8.162 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.625 0.455 -8.131 1.00 0.00 C ATOM 0 H PHE A 101 -7.729 -4.165 -5.188 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.791 -4.123 -7.384 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.494 -2.736 -4.719 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -4.086 -3.451 -5.479 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.728 -0.897 -5.873 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.065 -2.441 -7.401 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -6.474 1.102 -7.278 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -2.805 -0.441 -8.804 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.513 1.333 -8.750 1.00 0.00 H new ATOM 1627 N ARG A 102 -4.389 -5.942 -6.068 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.918 -7.237 -5.593 1.00 0.00 C ATOM 1629 C ARG A 102 -2.393 -7.284 -5.565 1.00 0.00 C ATOM 1630 O ARG A 102 -1.724 -6.377 -6.062 1.00 0.00 O ATOM 1631 CB ARG A 102 -4.457 -8.357 -6.485 1.00 0.00 C ATOM 1632 CG ARG A 102 -3.965 -8.282 -7.922 1.00 0.00 C ATOM 1633 CD ARG A 102 -4.850 -9.092 -8.856 1.00 0.00 C ATOM 1634 NE ARG A 102 -4.396 -10.475 -8.978 1.00 0.00 N ATOM 1635 CZ ARG A 102 -4.725 -11.434 -8.120 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -5.505 -11.163 -7.084 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -4.272 -12.669 -8.299 1.00 0.00 N ATOM 0 H ARG A 102 -3.725 -5.443 -6.660 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.287 -7.380 -4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.168 -9.319 -6.061 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.546 -8.321 -6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.946 -7.242 -8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.941 -8.652 -7.977 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.875 -9.078 -8.486 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.860 -8.626 -9.841 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.794 -10.717 -9.765 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.855 -10.215 -6.943 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.756 -11.902 -6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.671 -12.881 -9.095 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.525 -13.405 -7.640 1.00 0.00 H new ATOM 1651 N PHE A 103 -1.849 -8.346 -4.980 1.00 0.00 N ATOM 1652 CA PHE A 103 -0.403 -8.511 -4.886 1.00 0.00 C ATOM 1653 C PHE A 103 0.075 -9.646 -5.787 1.00 0.00 C ATOM 1654 O PHE A 103 -0.555 -10.699 -5.888 1.00 0.00 O ATOM 1655 CB PHE A 103 0.006 -8.787 -3.438 1.00 0.00 C ATOM 1656 CG PHE A 103 1.466 -8.551 -3.173 1.00 0.00 C ATOM 1657 CD1 PHE A 103 1.931 -7.284 -2.860 1.00 0.00 C ATOM 1658 CD2 PHE A 103 2.372 -9.597 -3.236 1.00 0.00 C ATOM 1659 CE1 PHE A 103 3.274 -7.064 -2.615 1.00 0.00 C ATOM 1660 CE2 PHE A 103 3.716 -9.383 -2.991 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.167 -8.115 -2.682 1.00 0.00 C ATOM 0 H PHE A 103 -2.388 -9.105 -4.564 1.00 0.00 H new ATOM 0 HA PHE A 103 0.066 -7.585 -5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.583 -8.153 -2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.238 -9.820 -3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.237 -6.459 -2.807 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.025 -10.590 -3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.624 -6.072 -2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.412 -10.207 -3.041 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.217 -7.946 -2.493 1.00 0.00 H new ATOM 1671 N PRO A 104 1.216 -9.428 -6.457 1.00 0.00 N ATOM 1672 CA PRO A 104 1.805 -10.420 -7.361 1.00 0.00 C ATOM 1673 C PRO A 104 2.360 -11.628 -6.614 1.00 0.00 C ATOM 1674 O PRO A 104 2.699 -11.538 -5.435 1.00 0.00 O ATOM 1675 CB PRO A 104 2.935 -9.649 -8.046 1.00 0.00 C ATOM 1676 CG PRO A 104 3.296 -8.571 -7.083 1.00 0.00 C ATOM 1677 CD PRO A 104 2.019 -8.196 -6.384 1.00 0.00 C ATOM 0 HA PRO A 104 1.069 -10.828 -8.053 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.787 -10.296 -8.253 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.610 -9.235 -9.000 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.044 -8.919 -6.370 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.724 -7.713 -7.601 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.199 -7.894 -5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.521 -7.362 -6.878 1.00 0.00 H new ATOM 1685 N ALA A 105 2.451 -12.757 -7.309 1.00 0.00 N ATOM 1686 CA ALA A 105 2.967 -13.982 -6.712 1.00 0.00 C ATOM 1687 C ALA A 105 4.491 -14.011 -6.750 1.00 0.00 C ATOM 1688 O ALA A 105 5.100 -13.768 -7.793 1.00 0.00 O ATOM 1689 CB ALA A 105 2.396 -15.199 -7.424 1.00 0.00 C ATOM 0 H ALA A 105 2.174 -12.848 -8.286 1.00 0.00 H new ATOM 0 HA ALA A 105 2.655 -14.007 -5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.791 -16.106 -6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.309 -15.193 -7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.678 -15.171 -8.476 1.00 0.00 H new TER 1695 ALA A 105