USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -38:sc= 0.898 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.177 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -162:sc= 0 (180deg=-0.451) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.8 (180deg=1.69) USER MOD Single : A 2 GLN : amide:sc= -0.0289 X(o=-0.029,f=0.25) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= 0.793 (180deg=0.703) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -99:sc= 0.164 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0595 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.05 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ -144:sc= 1.85 (180deg=0.334) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00406 K(o=-0.0041,f=-0.76) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.323 K(o=0.32,f=-2.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 50:sc= 0.437 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 62 GLN : amide:sc=-0.00337 X(o=-0.0034,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= 1.06 (180deg=0.922) USER MOD Single : A 65 SER OG : rot 82:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.836 -6.752 -4.557 1.00 9.67 N ATOM 2 CA MET A 1 11.844 -7.190 -3.149 1.00 10.38 C ATOM 3 C MET A 1 10.443 -7.572 -2.648 1.00 9.62 C ATOM 4 O MET A 1 9.419 -7.121 -3.146 1.00 9.62 O ATOM 5 CB MET A 1 12.386 -6.056 -2.241 1.00 13.77 C ATOM 6 CG MET A 1 11.449 -4.792 -2.148 1.00 16.29 C ATOM 7 SD MET A 1 12.349 -3.365 -1.454 1.00 17.17 S ATOM 8 CE MET A 1 10.823 -2.367 -1.255 1.00 16.11 C ATOM 0 H1 MET A 1 12.794 -6.457 -4.834 1.00 9.67 H new ATOM 0 H2 MET A 1 11.527 -7.538 -5.163 1.00 9.67 H new ATOM 0 H3 MET A 1 11.181 -5.951 -4.668 1.00 9.67 H new ATOM 0 HA MET A 1 12.485 -8.070 -3.100 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.541 -6.453 -1.238 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.361 -5.743 -2.614 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.070 -4.541 -3.139 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.584 -5.020 -1.525 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.088 -1.316 -1.142 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.191 -2.489 -2.135 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.282 -2.702 -0.370 1.00 16.11 H new ATOM 20 N GLN A 2 10.317 -8.300 -1.497 1.00 9.27 N ATOM 21 CA GLN A 2 9.034 -8.870 -1.047 1.00 9.07 C ATOM 22 C GLN A 2 8.621 -7.875 0.092 1.00 8.72 C ATOM 23 O GLN A 2 9.423 -7.450 0.953 1.00 8.22 O ATOM 24 CB GLN A 2 9.356 -10.329 -0.573 1.00 14.46 C ATOM 25 CG GLN A 2 8.189 -10.880 0.233 1.00 17.01 C ATOM 26 CD GLN A 2 8.299 -12.435 0.411 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.529 -12.887 1.520 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.377 -13.218 -0.719 1.00 19.49 N ATOM 0 H GLN A 2 11.098 -8.499 -0.872 1.00 9.27 H new ATOM 0 HA GLN A 2 8.223 -8.960 -1.770 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.547 -10.967 -1.436 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.262 -10.332 0.033 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.163 -10.401 1.212 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.252 -10.635 -0.267 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.179 -12.814 -1.634 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.632 -14.202 -0.641 1.00 19.49 H new ATOM 37 N ILE A 3 7.386 -7.484 0.102 1.00 5.87 N ATOM 38 CA ILE A 3 6.648 -6.818 1.153 1.00 5.07 C ATOM 39 C ILE A 3 5.371 -7.541 1.533 1.00 4.01 C ATOM 40 O ILE A 3 4.920 -8.398 0.842 1.00 4.61 O ATOM 41 CB ILE A 3 6.360 -5.408 0.838 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.466 -5.210 -0.425 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.690 -4.675 0.661 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.850 -3.781 -0.501 1.00 10.83 C ATOM 0 H ILE A 3 6.795 -7.637 -0.715 1.00 5.87 H new ATOM 0 HA ILE A 3 7.310 -6.843 2.018 1.00 5.07 H new ATOM 0 HB ILE A 3 5.785 -4.999 1.669 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.061 -5.394 -1.320 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.664 -5.948 -0.418 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.500 -3.628 0.427 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.268 -4.742 1.583 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.252 -5.133 -0.153 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.237 -3.696 -1.398 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.232 -3.604 0.379 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.650 -3.041 -0.537 1.00 10.83 H new ATOM 56 N PHE A 4 4.789 -7.126 2.706 1.00 4.55 N ATOM 57 CA PHE A 4 3.558 -7.747 3.179 1.00 4.68 C ATOM 58 C PHE A 4 2.442 -6.699 3.534 1.00 5.30 C ATOM 59 O PHE A 4 2.508 -5.838 4.354 1.00 5.58 O ATOM 60 CB PHE A 4 3.953 -8.624 4.471 1.00 4.83 C ATOM 61 CG PHE A 4 5.039 -9.527 4.248 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.886 -10.591 3.340 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.295 -9.364 4.895 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.919 -11.538 3.152 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.203 -10.368 4.849 1.00 10.61 C ATOM 66 CZ PHE A 4 7.051 -11.446 3.962 1.00 8.90 C ATOM 0 H PHE A 4 5.157 -6.387 3.305 1.00 4.55 H new ATOM 0 HA PHE A 4 3.131 -8.364 2.388 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.214 -7.952 5.288 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.081 -9.193 4.793 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.968 -10.686 2.779 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.523 -8.447 5.419 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.834 -12.311 2.402 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.059 -10.339 5.506 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.814 -12.208 3.907 1.00 8.90 H new ATOM 76 N VAL A 5 1.293 -6.811 2.914 1.00 4.44 N ATOM 77 CA VAL A 5 0.183 -5.820 2.869 1.00 3.87 C ATOM 78 C VAL A 5 -0.858 -6.405 3.855 1.00 4.93 C ATOM 79 O VAL A 5 -1.356 -7.540 3.628 1.00 6.84 O ATOM 80 CB VAL A 5 -0.465 -5.644 1.485 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.727 -4.736 1.595 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.614 -5.049 0.548 1.00 9.13 C ATOM 0 H VAL A 5 1.067 -7.650 2.380 1.00 4.44 H new ATOM 0 HA VAL A 5 0.555 -4.826 3.118 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.809 -6.595 1.078 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.178 -4.618 0.609 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.448 -5.195 2.271 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.439 -3.758 1.981 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.194 -4.908 -0.448 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.947 -4.088 0.941 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.462 -5.731 0.490 1.00 9.13 H new ATOM 92 N LYS A 6 -1.230 -5.699 4.916 1.00 6.04 N ATOM 93 CA LYS A 6 -2.023 -6.224 6.006 1.00 6.12 C ATOM 94 C LYS A 6 -3.334 -5.511 6.171 1.00 6.57 C ATOM 95 O LYS A 6 -3.344 -4.309 6.569 1.00 5.76 O ATOM 96 CB LYS A 6 -1.321 -6.194 7.375 1.00 7.45 C ATOM 97 CG LYS A 6 -1.976 -7.320 8.240 1.00 11.12 C ATOM 98 CD LYS A 6 -0.944 -7.945 9.225 1.00 14.54 C ATOM 99 CE LYS A 6 -1.431 -9.143 9.995 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.353 -9.587 11.006 1.00 20.55 N ATOM 0 H LYS A 6 -0.978 -4.718 5.039 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.182 -7.261 5.709 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.250 -6.364 7.265 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.442 -5.221 7.851 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.816 -6.910 8.801 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.377 -8.096 7.588 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.057 -8.233 8.661 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.635 -7.178 9.936 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.355 -8.899 10.519 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.659 -9.960 9.310 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.694 -10.415 11.536 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.519 -9.837 10.497 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.157 -8.809 11.668 1.00 20.55 H new ATOM 114 N THR A 7 -4.522 -6.154 5.986 1.00 7.41 N ATOM 115 CA THR A 7 -5.827 -5.533 6.250 1.00 7.48 C ATOM 116 C THR A 7 -6.237 -5.519 7.697 1.00 8.75 C ATOM 117 O THR A 7 -5.874 -6.380 8.495 1.00 8.58 O ATOM 118 CB THR A 7 -7.022 -6.101 5.386 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.638 -7.263 6.039 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.718 -6.407 3.935 1.00 9.17 C ATOM 0 H THR A 7 -4.588 -7.115 5.650 1.00 7.41 H new ATOM 0 HA THR A 7 -5.640 -4.506 5.937 1.00 7.48 H new ATOM 0 HB THR A 7 -7.726 -5.270 5.343 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.376 -7.596 5.486 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.615 -6.790 3.448 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.392 -5.497 3.432 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.927 -7.155 3.879 1.00 9.17 H new ATOM 128 N LEU A 8 -7.154 -4.548 8.033 1.00 9.84 N ATOM 129 CA LEU A 8 -7.611 -4.418 9.417 1.00 14.15 C ATOM 130 C LEU A 8 -8.279 -5.670 10.035 1.00 17.37 C ATOM 131 O LEU A 8 -7.948 -6.109 11.131 1.00 17.01 O ATOM 132 CB LEU A 8 -8.553 -3.232 9.588 1.00 16.63 C ATOM 133 CG LEU A 8 -7.864 -1.813 9.501 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.915 -0.711 9.770 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.631 -1.610 10.405 1.00 18.59 C ATOM 0 H LEU A 8 -7.562 -3.882 7.377 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.681 -4.267 9.965 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.328 -3.290 8.824 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.050 -3.319 10.554 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.470 -1.746 8.487 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.439 0.268 9.710 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.708 -0.775 9.025 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.339 -0.848 10.765 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.239 -0.603 10.265 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.918 -1.746 11.448 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.863 -2.338 10.142 1.00 18.59 H new ATOM 147 N THR A 9 -9.093 -6.349 9.144 1.00 18.33 N ATOM 148 CA THR A 9 -9.912 -7.576 9.419 1.00 19.24 C ATOM 149 C THR A 9 -9.042 -8.856 9.198 1.00 19.48 C ATOM 150 O THR A 9 -9.577 -9.931 9.243 1.00 23.14 O ATOM 151 CB THR A 9 -11.185 -7.726 8.502 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.850 -7.613 7.152 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.106 -6.606 8.829 1.00 19.70 C ATOM 0 H THR A 9 -9.193 -6.036 8.179 1.00 18.33 H new ATOM 0 HA THR A 9 -10.247 -7.466 10.450 1.00 19.24 H new ATOM 0 HB THR A 9 -11.635 -8.703 8.676 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.657 -7.712 6.605 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.001 -6.679 8.211 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.386 -6.661 9.881 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.607 -5.656 8.635 1.00 19.70 H new ATOM 161 N GLY A 10 -7.679 -8.760 8.945 1.00 19.43 N ATOM 162 CA GLY A 10 -6.817 -9.922 9.176 1.00 18.74 C ATOM 163 C GLY A 10 -6.310 -10.625 8.028 1.00 17.62 C ATOM 164 O GLY A 10 -5.771 -11.690 8.177 1.00 19.74 O ATOM 0 H GLY A 10 -7.205 -7.925 8.601 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.964 -9.592 9.769 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.373 -10.635 9.785 1.00 18.74 H new ATOM 168 N LYS A 11 -6.502 -10.098 6.782 1.00 13.56 N ATOM 169 CA LYS A 11 -5.925 -10.621 5.570 1.00 11.91 C ATOM 170 C LYS A 11 -4.550 -10.069 5.246 1.00 10.18 C ATOM 171 O LYS A 11 -4.350 -8.871 5.223 1.00 9.10 O ATOM 172 CB LYS A 11 -6.862 -10.413 4.361 1.00 13.43 C ATOM 173 CG LYS A 11 -6.588 -11.438 3.175 1.00 16.69 C ATOM 174 CD LYS A 11 -7.698 -11.433 2.213 1.00 17.92 C ATOM 175 CE LYS A 11 -7.480 -12.407 1.017 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.450 -12.164 -0.074 1.00 21.93 N ATOM 0 H LYS A 11 -7.083 -9.275 6.622 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.800 -11.687 5.762 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.896 -10.514 4.689 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.744 -9.395 3.988 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.660 -11.174 2.668 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.456 -12.442 3.579 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.619 -11.703 2.730 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.833 -10.422 1.829 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.466 -12.291 0.634 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.574 -13.436 1.364 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.190 -12.736 -0.903 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.404 -12.429 0.244 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.438 -11.156 -0.331 1.00 21.93 H new ATOM 190 N THR A 12 -3.534 -10.921 5.024 1.00 9.63 N ATOM 191 CA THR A 12 -2.208 -10.451 4.545 1.00 9.85 C ATOM 192 C THR A 12 -2.012 -10.834 3.078 1.00 11.66 C ATOM 193 O THR A 12 -2.313 -11.968 2.714 1.00 12.33 O ATOM 194 CB THR A 12 -0.949 -10.937 5.293 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.097 -10.809 6.714 1.00 10.91 O ATOM 196 CG2 THR A 12 0.340 -10.100 4.990 1.00 9.63 C ATOM 0 H THR A 12 -3.597 -11.929 5.165 1.00 9.63 H new ATOM 0 HA THR A 12 -2.271 -9.379 4.730 1.00 9.85 H new ATOM 0 HB THR A 12 -0.843 -11.966 4.950 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.283 -11.127 7.158 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.179 -10.507 5.555 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.563 -10.148 3.924 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.176 -9.062 5.280 1.00 9.63 H new ATOM 204 N ILE A 13 -1.558 -9.862 2.247 1.00 10.42 N ATOM 205 CA ILE A 13 -1.135 -10.113 0.860 1.00 11.84 C ATOM 206 C ILE A 13 0.344 -9.828 0.732 1.00 10.55 C ATOM 207 O ILE A 13 0.816 -8.772 1.112 1.00 11.92 O ATOM 208 CB ILE A 13 -1.994 -9.324 -0.118 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.476 -9.668 -0.023 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.485 -9.569 -1.525 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.233 -8.678 0.879 1.00 16.46 C ATOM 0 H ILE A 13 -1.478 -8.884 2.527 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.286 -11.161 0.603 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.910 -8.269 0.142 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.916 -9.661 -1.020 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.591 -10.679 0.369 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.093 -9.008 -2.235 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.448 -9.242 -1.599 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.548 -10.633 -1.754 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.286 -8.956 0.922 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.810 -8.704 1.883 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.140 -7.671 0.472 1.00 16.46 H new ATOM 223 N THR A 14 1.156 -10.795 0.222 1.00 9.39 N ATOM 224 CA THR A 14 2.538 -10.676 -0.069 1.00 9.63 C ATOM 225 C THR A 14 2.643 -10.201 -1.452 1.00 11.20 C ATOM 226 O THR A 14 2.116 -10.856 -2.343 1.00 11.63 O ATOM 227 CB THR A 14 3.234 -11.972 0.027 1.00 10.38 C ATOM 228 OG1 THR A 14 2.978 -12.477 1.321 1.00 16.30 O ATOM 229 CG2 THR A 14 4.716 -11.816 -0.185 1.00 11.66 C ATOM 0 H THR A 14 0.799 -11.725 0.003 1.00 9.39 H new ATOM 0 HA THR A 14 2.997 -9.995 0.648 1.00 9.63 H new ATOM 0 HB THR A 14 2.874 -12.652 -0.745 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.742 -12.285 1.904 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.199 -12.790 -0.108 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.900 -11.397 -1.174 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.124 -11.148 0.573 1.00 11.66 H new ATOM 237 N LEU A 15 3.288 -9.029 -1.694 1.00 8.29 N ATOM 238 CA LEU A 15 3.549 -8.506 -3.026 1.00 9.03 C ATOM 239 C LEU A 15 5.054 -8.549 -3.303 1.00 8.59 C ATOM 240 O LEU A 15 5.953 -8.689 -2.445 1.00 7.79 O ATOM 241 CB LEU A 15 3.076 -7.014 -3.262 1.00 11.08 C ATOM 242 CG LEU A 15 1.615 -6.782 -3.104 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.332 -5.330 -3.100 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.859 -7.359 -4.278 1.00 15.27 C ATOM 0 H LEU A 15 3.638 -8.427 -0.948 1.00 8.29 H new ATOM 0 HA LEU A 15 2.971 -9.142 -3.697 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.608 -6.366 -2.566 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.370 -6.711 -4.267 1.00 11.08 H new ATOM 0 HG LEU A 15 1.307 -7.253 -2.170 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.260 -5.169 -2.984 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.862 -4.858 -2.272 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.665 -4.892 -4.041 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.208 -7.181 -4.147 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.196 -6.882 -5.198 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.043 -8.432 -4.338 1.00 15.27 H new ATOM 256 N GLU A 16 5.309 -8.573 -4.653 1.00 11.04 N ATOM 257 CA GLU A 16 6.605 -8.399 -5.125 1.00 11.50 C ATOM 258 C GLU A 16 6.642 -7.033 -5.825 1.00 10.13 C ATOM 259 O GLU A 16 5.834 -6.765 -6.750 1.00 9.83 O ATOM 260 CB GLU A 16 6.879 -9.406 -6.264 1.00 17.22 C ATOM 261 CG GLU A 16 8.306 -9.484 -6.775 1.00 23.33 C ATOM 262 CD GLU A 16 9.381 -9.656 -5.764 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.343 -10.465 -4.810 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.364 -8.863 -5.946 1.00 28.90 O ATOM 0 H GLU A 16 4.602 -8.713 -5.374 1.00 11.04 H new ATOM 0 HA GLU A 16 7.310 -8.508 -4.301 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.586 -10.398 -5.919 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.230 -9.156 -7.103 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.368 -10.314 -7.478 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.514 -8.574 -7.337 1.00 23.33 H new ATOM 271 N VAL A 17 7.570 -6.154 -5.418 1.00 8.99 N ATOM 272 CA VAL A 17 7.694 -4.707 -5.699 1.00 8.85 C ATOM 273 C VAL A 17 9.216 -4.381 -5.898 1.00 8.04 C ATOM 274 O VAL A 17 10.045 -5.245 -5.711 1.00 8.99 O ATOM 275 CB VAL A 17 7.093 -3.705 -4.702 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.541 -3.871 -4.760 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.579 -4.111 -3.267 1.00 10.54 C ATOM 0 H VAL A 17 8.335 -6.468 -4.821 1.00 8.99 H new ATOM 0 HA VAL A 17 7.078 -4.560 -6.586 1.00 8.85 H new ATOM 0 HB VAL A 17 7.387 -2.681 -4.932 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.074 -3.174 -4.064 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.190 -3.663 -5.771 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.274 -4.892 -4.486 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.168 -3.417 -2.534 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.239 -5.122 -3.040 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.668 -4.077 -3.228 1.00 10.54 H new ATOM 287 N GLU A 18 9.499 -3.177 -6.317 1.00 7.29 N ATOM 288 CA GLU A 18 10.862 -2.692 -6.372 1.00 7.08 C ATOM 289 C GLU A 18 10.863 -1.361 -5.537 1.00 6.45 C ATOM 290 O GLU A 18 9.854 -0.681 -5.491 1.00 5.28 O ATOM 291 CB GLU A 18 11.390 -2.350 -7.745 1.00 10.28 C ATOM 292 CG GLU A 18 11.759 -3.592 -8.617 1.00 12.65 C ATOM 293 CD GLU A 18 12.951 -4.449 -8.204 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.919 -3.931 -7.638 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.970 -5.707 -8.436 1.00 18.17 O ATOM 0 H GLU A 18 8.799 -2.504 -6.629 1.00 7.29 H new ATOM 0 HA GLU A 18 11.503 -3.493 -6.004 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.642 -1.759 -8.273 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.274 -1.721 -7.636 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.884 -4.240 -8.656 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.941 -3.240 -9.633 1.00 12.65 H new ATOM 302 N PRO A 19 11.980 -0.931 -4.981 1.00 7.24 N ATOM 303 CA PRO A 19 12.165 0.336 -4.277 1.00 7.07 C ATOM 304 C PRO A 19 11.642 1.525 -5.008 1.00 6.65 C ATOM 305 O PRO A 19 11.079 2.402 -4.342 1.00 6.37 O ATOM 306 CB PRO A 19 13.720 0.356 -4.116 1.00 7.61 C ATOM 307 CG PRO A 19 14.205 -1.048 -4.012 1.00 8.16 C ATOM 308 CD PRO A 19 13.155 -1.814 -4.826 1.00 7.49 C ATOM 0 HA PRO A 19 11.609 0.397 -3.342 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.182 0.854 -4.969 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.001 0.920 -3.227 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.206 -1.165 -4.427 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.247 -1.389 -2.978 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.555 -2.094 -5.801 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.876 -2.738 -4.319 1.00 7.49 H new ATOM 316 N SER A 20 11.891 1.600 -6.337 1.00 6.80 N ATOM 317 CA SER A 20 11.616 2.809 -7.109 1.00 6.28 C ATOM 318 C SER A 20 10.229 2.855 -7.736 1.00 8.45 C ATOM 319 O SER A 20 9.939 3.775 -8.508 1.00 7.26 O ATOM 320 CB SER A 20 12.668 2.980 -8.179 1.00 8.57 C ATOM 321 OG SER A 20 12.867 1.696 -8.816 1.00 11.13 O ATOM 0 H SER A 20 12.281 0.833 -6.885 1.00 6.80 H new ATOM 0 HA SER A 20 11.647 3.633 -6.396 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.351 3.724 -8.910 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.601 3.338 -7.743 1.00 8.57 H new ATOM 0 HG SER A 20 13.546 1.781 -9.518 1.00 11.13 H new ATOM 327 N ASP A 21 9.401 1.880 -7.402 1.00 7.50 N ATOM 328 CA ASP A 21 8.020 1.789 -7.721 1.00 7.70 C ATOM 329 C ASP A 21 7.259 2.817 -6.924 1.00 7.08 C ATOM 330 O ASP A 21 7.543 3.069 -5.745 1.00 8.11 O ATOM 331 CB ASP A 21 7.352 0.461 -7.299 1.00 11.00 C ATOM 332 CG ASP A 21 7.822 -0.624 -8.160 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.391 -0.454 -9.247 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.493 -1.813 -7.797 1.00 18.03 O ATOM 0 H ASP A 21 9.720 1.078 -6.859 1.00 7.50 H new ATOM 0 HA ASP A 21 7.983 1.908 -8.804 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.587 0.240 -6.258 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.268 0.550 -7.369 1.00 11.00 H new ATOM 339 N THR A 22 6.149 3.384 -7.459 1.00 5.37 N ATOM 340 CA THR A 22 5.231 4.249 -6.699 1.00 6.01 C ATOM 341 C THR A 22 4.289 3.475 -5.809 1.00 8.01 C ATOM 342 O THR A 22 3.939 2.273 -5.961 1.00 8.11 O ATOM 343 CB THR A 22 4.424 5.243 -7.483 1.00 8.92 C ATOM 344 OG1 THR A 22 3.782 4.549 -8.514 1.00 10.22 O ATOM 345 CG2 THR A 22 5.401 6.256 -8.127 1.00 9.65 C ATOM 0 H THR A 22 5.871 3.250 -8.431 1.00 5.37 H new ATOM 0 HA THR A 22 5.941 4.827 -6.107 1.00 6.01 H new ATOM 0 HB THR A 22 3.704 5.754 -6.843 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.244 5.174 -9.044 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.837 6.990 -8.703 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.965 6.764 -7.345 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.090 5.728 -8.787 1.00 9.65 H new ATOM 353 N ILE A 23 3.807 4.207 -4.814 1.00 8.32 N ATOM 354 CA ILE A 23 2.748 3.730 -3.900 1.00 9.92 C ATOM 355 C ILE A 23 1.416 3.490 -4.648 1.00 10.01 C ATOM 356 O ILE A 23 0.667 2.534 -4.378 1.00 8.71 O ATOM 357 CB ILE A 23 2.513 4.658 -2.720 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.837 4.800 -1.831 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.291 4.308 -1.849 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.177 3.611 -0.994 1.00 12.30 C ATOM 0 H ILE A 23 4.132 5.152 -4.608 1.00 8.32 H new ATOM 0 HA ILE A 23 3.113 2.782 -3.504 1.00 9.92 H new ATOM 0 HB ILE A 23 2.270 5.624 -3.163 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.678 5.010 -2.492 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.723 5.664 -1.176 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.207 5.027 -1.034 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.388 4.344 -2.458 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.412 3.306 -1.438 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.089 3.811 -0.432 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.361 3.409 -0.301 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.330 2.745 -1.638 1.00 12.30 H new ATOM 372 N GLU A 24 1.184 4.325 -5.645 1.00 9.54 N ATOM 373 CA GLU A 24 0.134 4.255 -6.699 1.00 11.81 C ATOM 374 C GLU A 24 0.072 2.988 -7.523 1.00 11.14 C ATOM 375 O GLU A 24 -0.975 2.305 -7.576 1.00 10.62 O ATOM 376 CB GLU A 24 0.234 5.438 -7.652 1.00 19.24 C ATOM 377 CG GLU A 24 -0.426 5.266 -9.121 1.00 27.76 C ATOM 378 CD GLU A 24 -0.549 6.634 -9.812 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.443 7.327 -10.027 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.709 7.075 -9.943 1.00 36.51 O ATOM 0 H GLU A 24 1.768 5.152 -5.767 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.786 4.272 -6.115 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.232 6.298 -7.172 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.289 5.678 -7.782 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.187 4.598 -9.727 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.410 4.805 -9.034 1.00 27.76 H new ATOM 387 N ASN A 25 1.240 2.532 -7.994 1.00 9.43 N ATOM 388 CA ASN A 25 1.399 1.146 -8.472 1.00 10.96 C ATOM 389 C ASN A 25 1.282 0.026 -7.405 1.00 9.68 C ATOM 390 O ASN A 25 0.869 -1.070 -7.788 1.00 9.33 O ATOM 391 CB ASN A 25 2.743 1.144 -9.208 1.00 16.78 C ATOM 392 CG ASN A 25 2.637 1.891 -10.532 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.516 2.075 -11.040 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.750 2.426 -11.081 1.00 24.70 N ATOM 0 H ASN A 25 2.087 3.097 -8.056 1.00 9.43 H new ATOM 0 HA ASN A 25 0.559 0.884 -9.115 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.505 1.609 -8.583 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.062 0.118 -9.389 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.680 2.992 -11.927 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.660 2.264 -10.650 1.00 24.70 H new ATOM 401 N VAL A 26 1.644 0.190 -6.135 1.00 6.52 N ATOM 402 CA VAL A 26 1.291 -0.791 -5.162 1.00 5.53 C ATOM 403 C VAL A 26 -0.213 -0.927 -4.889 1.00 4.42 C ATOM 404 O VAL A 26 -0.797 -1.980 -4.606 1.00 3.40 O ATOM 405 CB VAL A 26 2.026 -0.582 -3.822 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.746 -1.817 -2.887 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.523 -0.535 -4.046 1.00 8.12 C ATOM 0 H VAL A 26 2.173 0.986 -5.778 1.00 6.52 H new ATOM 0 HA VAL A 26 1.616 -1.723 -5.624 1.00 5.53 H new ATOM 0 HB VAL A 26 1.676 0.350 -3.379 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.262 -1.678 -1.937 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.674 -1.903 -2.709 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.108 -2.726 -3.367 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.029 -0.387 -3.092 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.854 -1.473 -4.491 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.765 0.289 -4.717 1.00 8.12 H new ATOM 417 N LYS A 27 -0.921 0.212 -4.992 1.00 2.64 N ATOM 418 CA LYS A 27 -2.405 0.121 -5.009 1.00 4.14 C ATOM 419 C LYS A 27 -2.946 -0.538 -6.277 1.00 5.58 C ATOM 420 O LYS A 27 -3.946 -1.263 -6.266 1.00 4.11 O ATOM 421 CB LYS A 27 -3.114 1.443 -4.754 1.00 3.97 C ATOM 422 CG LYS A 27 -2.796 1.974 -3.394 1.00 7.45 C ATOM 423 CD LYS A 27 -3.162 3.440 -3.299 1.00 9.02 C ATOM 424 CE LYS A 27 -2.967 4.105 -1.939 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.653 5.396 -1.866 1.00 15.47 N ATOM 0 H LYS A 27 -0.530 1.151 -5.061 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.636 -0.527 -4.164 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.816 2.170 -5.510 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.191 1.306 -4.851 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.341 1.407 -2.639 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.734 1.844 -3.185 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.571 3.987 -4.034 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.208 3.550 -3.585 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.343 3.448 -1.155 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.903 4.247 -1.752 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.085 6.059 -1.301 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.778 5.778 -2.825 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.584 5.270 -1.420 1.00 15.47 H new ATOM 439 N ALA A 28 -2.287 -0.373 -7.452 1.00 6.61 N ATOM 440 CA ALA A 28 -2.640 -1.061 -8.640 1.00 7.74 C ATOM 441 C ALA A 28 -2.643 -2.576 -8.575 1.00 9.17 C ATOM 442 O ALA A 28 -3.624 -3.257 -8.925 1.00 11.45 O ATOM 443 CB ALA A 28 -1.774 -0.565 -9.862 1.00 7.68 C ATOM 0 H ALA A 28 -1.492 0.257 -7.563 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.689 -0.798 -8.780 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.066 -1.110 -10.760 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.938 0.502 -10.015 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.719 -0.744 -9.656 1.00 7.68 H new ATOM 449 N LYS A 29 -1.552 -3.142 -8.029 1.00 8.96 N ATOM 450 CA LYS A 29 -1.498 -4.540 -7.704 1.00 7.90 C ATOM 451 C LYS A 29 -2.607 -5.061 -6.738 1.00 6.92 C ATOM 452 O LYS A 29 -3.175 -6.142 -6.940 1.00 6.87 O ATOM 453 CB LYS A 29 -0.095 -4.912 -7.084 1.00 10.28 C ATOM 454 CG LYS A 29 1.097 -4.498 -8.018 1.00 14.94 C ATOM 455 CD LYS A 29 2.465 -4.787 -7.391 1.00 19.69 C ATOM 456 CE LYS A 29 3.632 -4.589 -8.324 1.00 22.63 C ATOM 457 NZ LYS A 29 3.779 -5.696 -9.221 1.00 24.98 N ATOM 0 H LYS A 29 -0.698 -2.629 -7.810 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.669 -5.032 -8.661 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.015 -4.419 -6.118 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.054 -5.986 -6.901 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.015 -5.033 -8.964 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.023 -3.435 -8.245 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.597 -4.142 -6.522 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.475 -5.815 -7.029 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.491 -3.672 -8.896 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.546 -4.465 -7.744 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.591 -5.528 -9.849 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.938 -6.567 -8.675 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.915 -5.798 -9.791 1.00 24.98 H new ATOM 471 N ILE A 30 -2.929 -4.334 -5.647 1.00 4.57 N ATOM 472 CA ILE A 30 -4.001 -4.695 -4.736 1.00 5.58 C ATOM 473 C ILE A 30 -5.352 -4.473 -5.343 1.00 7.26 C ATOM 474 O ILE A 30 -6.261 -5.222 -4.971 1.00 9.46 O ATOM 475 CB ILE A 30 -3.790 -4.088 -3.315 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.548 -4.729 -2.633 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.062 -4.239 -2.440 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.788 -6.199 -2.182 1.00 2.00 C ATOM 0 H ILE A 30 -2.441 -3.478 -5.385 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.962 -5.772 -4.570 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.604 -3.020 -3.424 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.706 -4.701 -3.325 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.268 -4.131 -1.766 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.881 -3.806 -1.456 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.895 -3.722 -2.916 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.306 -5.296 -2.331 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.884 -6.588 -1.714 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.610 -6.230 -1.466 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.039 -6.809 -3.050 1.00 2.00 H new ATOM 490 N GLN A 31 -5.511 -3.566 -6.344 1.00 7.06 N ATOM 491 CA GLN A 31 -6.760 -3.463 -7.056 1.00 8.67 C ATOM 492 C GLN A 31 -7.058 -4.659 -7.847 1.00 10.90 C ATOM 493 O GLN A 31 -8.121 -5.294 -7.777 1.00 9.63 O ATOM 494 CB GLN A 31 -6.836 -2.201 -8.026 1.00 9.12 C ATOM 495 CG GLN A 31 -8.174 -2.006 -8.729 1.00 10.76 C ATOM 496 CD GLN A 31 -8.100 -0.972 -9.871 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.024 -0.616 -10.416 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.211 -0.392 -10.231 1.00 14.76 N ATOM 0 H GLN A 31 -4.787 -2.917 -6.653 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.502 -3.347 -6.266 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.613 -1.304 -7.448 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.056 -2.296 -8.782 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.512 -2.961 -9.131 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.919 -1.685 -8.001 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.093 -0.668 -9.800 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.198 0.337 -10.944 1.00 14.76 H new ATOM 507 N ASP A 32 -6.006 -5.116 -8.600 1.00 10.93 N ATOM 508 CA ASP A 32 -5.941 -6.351 -9.365 1.00 14.01 C ATOM 509 C ASP A 32 -6.251 -7.588 -8.511 1.00 14.04 C ATOM 510 O ASP A 32 -6.930 -8.500 -8.927 1.00 13.39 O ATOM 511 CB ASP A 32 -4.601 -6.396 -10.134 1.00 18.01 C ATOM 512 CG ASP A 32 -4.396 -7.756 -10.842 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.138 -8.085 -11.838 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.500 -8.516 -10.394 1.00 26.29 O ATOM 0 H ASP A 32 -5.142 -4.580 -8.676 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.734 -6.369 -10.113 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.577 -5.594 -10.872 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.778 -6.218 -9.442 1.00 18.01 H new ATOM 519 N LYS A 33 -5.617 -7.723 -7.318 1.00 14.22 N ATOM 520 CA LYS A 33 -5.809 -8.777 -6.403 1.00 14.00 C ATOM 521 C LYS A 33 -7.198 -8.855 -5.796 1.00 12.37 C ATOM 522 O LYS A 33 -7.833 -9.920 -5.698 1.00 12.17 O ATOM 523 CB LYS A 33 -4.743 -8.774 -5.240 1.00 18.62 C ATOM 524 CG LYS A 33 -3.238 -8.927 -5.505 1.00 24.00 C ATOM 525 CD LYS A 33 -2.891 -9.999 -6.472 1.00 27.61 C ATOM 526 CE LYS A 33 -1.386 -10.140 -6.679 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.269 -11.139 -7.691 1.00 30.06 N ATOM 0 H LYS A 33 -4.931 -7.042 -6.992 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.678 -9.664 -7.022 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.872 -7.836 -4.700 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.023 -9.576 -4.557 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.849 -7.979 -5.877 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.734 -9.130 -4.560 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.295 -10.947 -6.118 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.367 -9.787 -7.429 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.936 -9.198 -6.994 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.883 -10.442 -5.760 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.264 -11.304 -7.901 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.703 -12.023 -7.358 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.755 -10.818 -8.553 1.00 30.06 H new ATOM 541 N GLU A 34 -7.647 -7.719 -5.252 1.00 10.11 N ATOM 542 CA GLU A 34 -8.705 -7.706 -4.264 1.00 10.07 C ATOM 543 C GLU A 34 -9.989 -6.949 -4.717 1.00 9.32 C ATOM 544 O GLU A 34 -10.967 -6.955 -3.946 1.00 11.61 O ATOM 545 CB GLU A 34 -8.240 -7.045 -2.899 1.00 14.77 C ATOM 546 CG GLU A 34 -7.051 -7.844 -2.215 1.00 18.75 C ATOM 547 CD GLU A 34 -7.437 -9.224 -1.743 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.245 -9.307 -0.747 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.927 -10.258 -2.257 1.00 25.19 O ATOM 0 H GLU A 34 -7.284 -6.796 -5.489 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.941 -8.762 -4.131 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.925 -6.018 -3.084 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.086 -7.000 -2.213 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.228 -7.930 -2.924 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.681 -7.270 -1.366 1.00 18.75 H new ATOM 556 N GLY A 35 -9.940 -6.301 -5.915 1.00 7.22 N ATOM 557 CA GLY A 35 -11.033 -5.575 -6.445 1.00 6.29 C ATOM 558 C GLY A 35 -11.475 -4.277 -5.640 1.00 6.93 C ATOM 559 O GLY A 35 -12.652 -4.051 -5.276 1.00 7.41 O ATOM 0 H GLY A 35 -9.114 -6.294 -6.513 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.784 -5.277 -7.464 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.890 -6.246 -6.509 1.00 6.29 H new ATOM 563 N ILE A 36 -10.571 -3.388 -5.317 1.00 5.86 N ATOM 564 CA ILE A 36 -10.772 -2.191 -4.472 1.00 6.07 C ATOM 565 C ILE A 36 -10.421 -0.989 -5.296 1.00 6.36 C ATOM 566 O ILE A 36 -9.297 -0.949 -5.794 1.00 6.18 O ATOM 567 CB ILE A 36 -9.828 -2.133 -3.294 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.886 -3.413 -2.443 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.058 -0.914 -2.419 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.647 -3.563 -1.520 1.00 9.49 C ATOM 0 H ILE A 36 -9.609 -3.466 -5.646 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.803 -2.223 -4.118 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.829 -2.050 -3.723 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.790 -3.402 -1.835 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.954 -4.280 -3.100 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.352 -0.924 -1.588 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.911 -0.009 -3.009 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.076 -0.932 -2.030 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.735 -4.482 -0.940 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.743 -3.603 -2.128 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.592 -2.710 -0.843 1.00 9.49 H new ATOM 582 N PRO A 37 -11.178 0.015 -5.490 1.00 8.65 N ATOM 583 CA PRO A 37 -10.723 1.311 -6.037 1.00 9.18 C ATOM 584 C PRO A 37 -9.477 1.906 -5.443 1.00 9.85 C ATOM 585 O PRO A 37 -9.570 2.007 -4.180 1.00 8.51 O ATOM 586 CB PRO A 37 -11.919 2.221 -5.972 1.00 11.42 C ATOM 587 CG PRO A 37 -13.042 1.209 -6.269 1.00 9.27 C ATOM 588 CD PRO A 37 -12.615 -0.089 -5.541 1.00 8.33 C ATOM 0 HA PRO A 37 -10.377 1.154 -7.059 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.031 2.693 -4.996 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.874 3.022 -6.710 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -14.004 1.568 -5.903 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.150 1.043 -7.341 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -13.049 -0.152 -4.543 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.935 -0.978 -6.084 1.00 8.33 H new ATOM 596 N PRO A 38 -8.397 2.393 -6.178 1.00 8.71 N ATOM 597 CA PRO A 38 -7.210 2.964 -5.467 1.00 9.08 C ATOM 598 C PRO A 38 -7.391 4.209 -4.621 1.00 9.28 C ATOM 599 O PRO A 38 -6.616 4.389 -3.692 1.00 6.50 O ATOM 600 CB PRO A 38 -6.290 3.175 -6.601 1.00 10.31 C ATOM 601 CG PRO A 38 -6.610 2.061 -7.542 1.00 10.81 C ATOM 602 CD PRO A 38 -8.098 1.942 -7.543 1.00 12.00 C ATOM 0 HA PRO A 38 -6.877 2.292 -4.676 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.448 4.148 -7.067 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.249 3.140 -6.281 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.234 2.275 -8.543 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.144 1.130 -7.219 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.565 2.572 -8.300 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.433 0.921 -7.726 1.00 12.00 H new ATOM 610 N ASP A 39 -8.466 5.030 -4.855 1.00 11.20 N ATOM 611 CA ASP A 39 -8.908 6.131 -3.968 1.00 14.96 C ATOM 612 C ASP A 39 -9.219 5.584 -2.522 1.00 13.99 C ATOM 613 O ASP A 39 -8.728 6.212 -1.582 1.00 13.75 O ATOM 614 CB ASP A 39 -10.090 6.896 -4.602 1.00 24.16 C ATOM 615 CG ASP A 39 -10.096 8.372 -4.218 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.059 9.062 -4.515 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.062 8.902 -3.572 1.00 34.22 O ATOM 0 H ASP A 39 -9.052 4.933 -5.684 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.100 6.854 -3.856 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.039 6.805 -5.687 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.027 6.437 -4.288 1.00 24.16 H new ATOM 622 N GLN A 40 -9.874 4.419 -2.338 1.00 11.60 N ATOM 623 CA GLN A 40 -10.317 3.868 -1.083 1.00 10.76 C ATOM 624 C GLN A 40 -9.277 2.987 -0.395 1.00 8.01 C ATOM 625 O GLN A 40 -9.352 2.738 0.818 1.00 8.96 O ATOM 626 CB GLN A 40 -11.694 3.098 -1.248 1.00 11.14 C ATOM 627 CG GLN A 40 -12.823 4.004 -1.770 1.00 14.85 C ATOM 628 CD GLN A 40 -14.176 3.313 -1.646 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.819 2.992 -2.675 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.573 2.964 -0.413 1.00 18.16 N ATOM 0 H GLN A 40 -10.113 3.815 -3.125 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.469 4.723 -0.424 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.558 2.262 -1.934 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.987 2.677 -0.286 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.834 4.938 -1.208 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.636 4.261 -2.813 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.022 3.244 0.399 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.425 2.418 -0.287 1.00 18.16 H new ATOM 639 N GLN A 41 -8.280 2.555 -1.217 1.00 6.52 N ATOM 640 CA GLN A 41 -7.065 2.016 -0.606 1.00 3.87 C ATOM 641 C GLN A 41 -6.195 3.093 -0.012 1.00 4.79 C ATOM 642 O GLN A 41 -5.987 4.141 -0.642 1.00 6.34 O ATOM 643 CB GLN A 41 -6.194 1.227 -1.613 1.00 4.20 C ATOM 644 CG GLN A 41 -6.985 0.253 -2.548 1.00 3.20 C ATOM 645 CD GLN A 41 -6.009 -0.422 -3.511 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.949 -0.850 -3.092 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.444 -0.745 -4.751 1.00 7.13 N ATOM 0 H GLN A 41 -8.299 2.571 -2.237 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.425 1.349 0.178 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.647 1.938 -2.233 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.453 0.652 -1.058 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.506 -0.498 -1.954 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.744 0.801 -3.106 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.334 -0.380 -5.090 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.882 -1.354 -5.346 1.00 7.13 H new ATOM 656 N ARG A 42 -5.782 2.842 1.259 1.00 5.73 N ATOM 657 CA ARG A 42 -5.039 3.746 2.101 1.00 6.97 C ATOM 658 C ARG A 42 -3.998 2.810 2.758 1.00 7.15 C ATOM 659 O ARG A 42 -4.361 1.878 3.505 1.00 7.33 O ATOM 660 CB ARG A 42 -5.898 4.451 3.093 1.00 13.23 C ATOM 661 CG ARG A 42 -5.089 5.102 4.234 1.00 21.27 C ATOM 662 CD ARG A 42 -5.945 6.011 5.123 1.00 26.14 C ATOM 663 NE ARG A 42 -6.313 7.160 4.193 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.047 8.159 4.574 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.616 8.220 5.831 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.271 9.198 3.737 1.00 36.39 N ATOM 0 H ARG A 42 -5.980 1.955 1.722 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.584 4.570 1.551 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.478 5.219 2.582 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.610 3.743 3.517 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.639 4.321 4.847 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.271 5.683 3.808 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.830 5.494 5.494 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.391 6.360 5.994 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.969 7.143 3.233 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.465 7.462 6.497 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.187 9.023 6.094 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.862 9.197 2.803 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.849 9.982 4.040 1.00 36.39 H new ATOM 680 N LEU A 43 -2.747 3.168 2.591 1.00 4.65 N ATOM 681 CA LEU A 43 -1.641 2.541 3.256 1.00 3.51 C ATOM 682 C LEU A 43 -1.062 3.359 4.337 1.00 5.56 C ATOM 683 O LEU A 43 -0.631 4.531 4.177 1.00 4.19 O ATOM 684 CB LEU A 43 -0.555 2.112 2.155 1.00 3.74 C ATOM 685 CG LEU A 43 -1.075 1.013 1.166 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.025 0.821 0.084 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.459 -0.314 1.853 1.00 6.41 C ATOM 0 H LEU A 43 -2.468 3.927 1.969 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.008 1.651 3.767 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.258 2.993 1.585 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.338 1.743 2.660 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.010 1.358 0.725 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.362 0.060 -0.619 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.128 1.761 -0.445 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.913 0.504 0.540 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.809 -1.024 1.103 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.588 -0.725 2.363 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.252 -0.132 2.579 1.00 6.41 H new ATOM 699 N ILE A 44 -0.865 2.743 5.530 1.00 4.58 N ATOM 700 CA ILE A 44 -0.097 3.302 6.685 1.00 5.55 C ATOM 701 C ILE A 44 1.169 2.543 7.030 1.00 5.46 C ATOM 702 O ILE A 44 1.172 1.333 7.001 1.00 6.04 O ATOM 703 CB ILE A 44 -1.034 3.420 7.947 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.415 4.020 7.649 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.274 4.111 9.068 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.489 5.441 7.163 1.00 13.90 C ATOM 0 H ILE A 44 -1.245 1.817 5.726 1.00 4.58 H new ATOM 0 HA ILE A 44 0.240 4.289 6.369 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.288 2.415 8.283 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.897 3.389 6.903 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.011 3.949 8.559 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.916 4.196 9.945 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.611 3.527 9.322 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.029 5.106 8.742 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.531 5.715 6.998 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.053 6.104 7.910 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.937 5.535 6.228 1.00 13.90 H new ATOM 718 N PHE A 45 2.257 3.255 7.362 1.00 6.75 N ATOM 719 CA PHE A 45 3.535 2.703 7.800 1.00 4.70 C ATOM 720 C PHE A 45 4.166 3.724 8.638 1.00 6.34 C ATOM 721 O PHE A 45 4.085 4.944 8.370 1.00 5.45 O ATOM 722 CB PHE A 45 4.349 2.456 6.538 1.00 5.51 C ATOM 723 CG PHE A 45 5.679 1.723 6.707 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.804 0.280 6.862 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.844 2.445 6.631 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.041 -0.295 6.814 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.150 1.811 6.686 1.00 6.64 C ATOM 728 CZ PHE A 45 8.207 0.436 6.727 1.00 6.84 C ATOM 0 H PHE A 45 2.264 4.274 7.329 1.00 6.75 H new ATOM 0 HA PHE A 45 3.443 1.776 8.365 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.733 1.886 5.843 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.550 3.419 6.069 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.926 -0.330 7.014 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.788 3.519 6.527 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.110 -1.372 6.846 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.053 2.403 6.695 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.161 -0.068 6.691 1.00 6.84 H new ATOM 738 N ALA A 46 4.924 3.362 9.649 1.00 6.53 N ATOM 739 CA ALA A 46 5.710 4.160 10.575 1.00 7.15 C ATOM 740 C ALA A 46 4.955 5.427 11.080 1.00 9.00 C ATOM 741 O ALA A 46 5.355 6.595 10.999 1.00 11.15 O ATOM 742 CB ALA A 46 7.044 4.693 9.953 1.00 8.99 C ATOM 0 H ALA A 46 5.018 2.371 9.873 1.00 6.53 H new ATOM 0 HA ALA A 46 5.909 3.466 11.392 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.583 5.281 10.696 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.661 3.851 9.639 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.818 5.319 9.090 1.00 8.99 H new ATOM 748 N GLY A 47 3.824 5.139 11.715 1.00 9.35 N ATOM 749 CA GLY A 47 2.895 6.118 12.189 1.00 11.68 C ATOM 750 C GLY A 47 2.047 6.912 11.196 1.00 11.14 C ATOM 751 O GLY A 47 1.198 7.696 11.628 1.00 13.93 O ATOM 0 H GLY A 47 3.533 4.181 11.913 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.209 5.612 12.868 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.458 6.838 12.783 1.00 11.68 H new ATOM 755 N LYS A 48 2.128 6.805 9.870 1.00 10.47 N ATOM 756 CA LYS A 48 1.487 7.700 8.910 1.00 8.82 C ATOM 757 C LYS A 48 1.187 7.122 7.561 1.00 7.68 C ATOM 758 O LYS A 48 1.686 6.051 7.221 1.00 6.47 O ATOM 759 CB LYS A 48 2.429 8.935 8.812 1.00 9.74 C ATOM 760 CG LYS A 48 3.604 8.877 7.834 1.00 14.14 C ATOM 761 CD LYS A 48 4.753 9.923 8.089 1.00 16.32 C ATOM 762 CE LYS A 48 5.933 9.905 7.119 1.00 20.04 C ATOM 763 NZ LYS A 48 6.973 10.830 7.569 1.00 23.92 N ATOM 0 H LYS A 48 2.663 6.063 9.419 1.00 10.47 H new ATOM 0 HA LYS A 48 0.488 7.943 9.273 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.818 9.798 8.547 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.833 9.124 9.806 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.034 7.876 7.869 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.221 9.024 6.824 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.314 10.920 8.070 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.139 9.764 9.096 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.340 8.896 7.049 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.596 10.183 6.120 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.770 10.808 6.901 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.585 11.794 7.614 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.305 10.546 8.513 1.00 23.92 H new ATOM 777 N GLN A 49 0.476 7.928 6.776 1.00 8.89 N ATOM 778 CA GLN A 49 0.053 7.584 5.450 1.00 7.18 C ATOM 779 C GLN A 49 1.153 7.513 4.365 1.00 8.23 C ATOM 780 O GLN A 49 2.064 8.365 4.298 1.00 9.70 O ATOM 781 CB GLN A 49 -0.946 8.646 4.859 1.00 11.67 C ATOM 782 CG GLN A 49 -1.881 8.074 3.804 1.00 15.82 C ATOM 783 CD GLN A 49 -2.879 9.088 3.272 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.874 9.494 2.095 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.717 9.632 4.169 1.00 20.67 N ATOM 0 H GLN A 49 0.178 8.859 7.066 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.370 6.594 5.623 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.540 9.066 5.671 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.376 9.466 4.423 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.289 7.688 2.974 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.423 7.229 4.229 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.719 9.298 5.133 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.351 10.379 3.887 1.00 20.67 H new ATOM 794 N LEU A 50 1.106 6.538 3.419 1.00 6.51 N ATOM 795 CA LEU A 50 1.957 6.421 2.205 1.00 7.41 C ATOM 796 C LEU A 50 1.179 6.946 1.053 1.00 8.27 C ATOM 797 O LEU A 50 0.135 6.406 0.743 1.00 8.34 O ATOM 798 CB LEU A 50 2.332 4.931 1.990 1.00 7.13 C ATOM 799 CG LEU A 50 3.042 4.231 3.156 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.513 2.829 2.736 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.308 4.996 3.589 1.00 9.11 C ATOM 0 H LEU A 50 0.437 5.771 3.487 1.00 6.51 H new ATOM 0 HA LEU A 50 2.880 6.992 2.310 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.420 4.378 1.764 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.972 4.863 1.110 1.00 7.13 H new ATOM 0 HG LEU A 50 2.321 4.187 3.972 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.014 2.347 3.575 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.653 2.231 2.435 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.206 2.914 1.899 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.785 4.471 4.417 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.001 5.056 2.750 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.034 6.002 3.907 1.00 9.11 H new ATOM 813 N GLU A 51 1.679 8.014 0.414 1.00 9.43 N ATOM 814 CA GLU A 51 0.915 8.806 -0.487 1.00 11.90 C ATOM 815 C GLU A 51 1.304 8.511 -1.976 1.00 11.49 C ATOM 816 O GLU A 51 2.455 8.318 -2.347 1.00 9.88 O ATOM 817 CB GLU A 51 1.156 10.311 -0.251 1.00 16.56 C ATOM 818 CG GLU A 51 0.810 10.716 1.158 1.00 26.06 C ATOM 819 CD GLU A 51 0.660 12.179 1.315 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.324 12.726 0.785 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.533 12.851 1.940 1.00 32.13 O ATOM 0 H GLU A 51 2.641 8.334 0.528 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.129 8.550 -0.306 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.201 10.548 -0.452 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.557 10.890 -0.954 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.118 10.227 1.454 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.587 10.361 1.834 1.00 26.06 H new ATOM 828 N ASP A 52 0.255 8.360 -2.803 1.00 12.71 N ATOM 829 CA ASP A 52 0.177 7.763 -4.100 1.00 16.56 C ATOM 830 C ASP A 52 1.354 8.007 -5.078 1.00 15.83 C ATOM 831 O ASP A 52 2.075 7.115 -5.592 1.00 17.21 O ATOM 832 CB ASP A 52 -1.206 8.067 -4.786 1.00 21.05 C ATOM 833 CG ASP A 52 -2.397 7.700 -3.890 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.560 8.351 -2.823 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.053 6.681 -4.152 1.00 25.82 O ATOM 0 H ASP A 52 -0.661 8.706 -2.518 1.00 12.71 H new ATOM 0 HA ASP A 52 0.267 6.700 -3.878 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.258 9.126 -5.039 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.274 7.512 -5.722 1.00 21.05 H new ATOM 840 N GLY A 53 1.659 9.293 -5.367 1.00 15.00 N ATOM 841 CA GLY A 53 2.767 9.712 -6.210 1.00 11.77 C ATOM 842 C GLY A 53 4.179 9.697 -5.664 1.00 11.10 C ATOM 843 O GLY A 53 5.123 10.234 -6.262 1.00 11.25 O ATOM 0 H GLY A 53 1.118 10.077 -5.003 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.756 9.080 -7.098 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.557 10.730 -6.540 1.00 11.77 H new ATOM 847 N ARG A 54 4.380 9.105 -4.481 1.00 8.53 N ATOM 848 CA ARG A 54 5.632 8.869 -3.790 1.00 9.05 C ATOM 849 C ARG A 54 6.025 7.445 -3.986 1.00 8.96 C ATOM 850 O ARG A 54 5.182 6.562 -4.212 1.00 11.60 O ATOM 851 CB ARG A 54 5.550 9.063 -2.238 1.00 7.97 C ATOM 852 CG ARG A 54 5.165 10.497 -1.861 1.00 9.62 C ATOM 853 CD ARG A 54 6.183 11.578 -2.274 1.00 12.20 C ATOM 854 NE ARG A 54 5.541 12.810 -1.690 1.00 18.23 N ATOM 855 CZ ARG A 54 5.918 13.514 -0.617 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.021 13.215 -0.006 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.184 14.552 -0.183 1.00 23.38 N ATOM 0 H ARG A 54 3.590 8.750 -3.942 1.00 8.53 H new ATOM 0 HA ARG A 54 6.336 9.591 -4.203 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.818 8.370 -1.824 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.512 8.816 -1.790 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.204 10.731 -2.319 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.024 10.547 -0.781 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.174 11.392 -1.859 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.298 11.645 -3.356 1.00 12.20 H new ATOM 0 HE ARG A 54 4.712 13.151 -2.176 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.599 12.445 -0.344 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.312 13.750 0.813 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.328 14.812 -0.673 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.483 15.081 0.637 1.00 23.38 H new ATOM 871 N THR A 55 7.303 7.126 -3.811 1.00 9.05 N ATOM 872 CA THR A 55 7.818 5.820 -4.072 1.00 9.03 C ATOM 873 C THR A 55 8.114 5.112 -2.730 1.00 8.15 C ATOM 874 O THR A 55 8.164 5.758 -1.659 1.00 5.91 O ATOM 875 CB THR A 55 9.072 5.715 -4.898 1.00 11.15 C ATOM 876 OG1 THR A 55 10.143 6.484 -4.382 1.00 11.95 O ATOM 877 CG2 THR A 55 8.798 6.326 -6.334 1.00 11.71 C ATOM 0 H THR A 55 8.005 7.787 -3.479 1.00 9.05 H new ATOM 0 HA THR A 55 7.030 5.361 -4.668 1.00 9.03 H new ATOM 0 HB THR A 55 9.336 4.658 -4.905 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.798 7.331 -4.030 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.702 6.254 -6.939 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.993 5.773 -6.817 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.510 7.373 -6.235 1.00 11.71 H new ATOM 885 N LEU A 56 8.305 3.775 -2.754 1.00 6.91 N ATOM 886 CA LEU A 56 8.659 3.017 -1.587 1.00 8.29 C ATOM 887 C LEU A 56 9.990 3.439 -0.868 1.00 8.05 C ATOM 888 O LEU A 56 10.026 3.554 0.358 1.00 10.17 O ATOM 889 CB LEU A 56 8.706 1.464 -1.913 1.00 6.60 C ATOM 890 CG LEU A 56 7.303 0.801 -2.209 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.543 -0.483 -3.081 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.608 0.541 -0.830 1.00 8.64 C ATOM 0 H LEU A 56 8.212 3.211 -3.599 1.00 6.91 H new ATOM 0 HA LEU A 56 7.862 3.246 -0.879 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.354 1.309 -2.776 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.166 0.945 -1.072 1.00 6.60 H new ATOM 0 HG LEU A 56 6.631 1.436 -2.786 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.587 -0.959 -3.299 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.030 -0.203 -4.015 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.179 -1.180 -2.535 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.633 0.082 -0.995 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.227 -0.127 -0.231 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.480 1.487 -0.303 1.00 8.64 H new ATOM 904 N SER A 57 10.972 3.762 -1.700 1.00 8.92 N ATOM 905 CA SER A 57 12.236 4.341 -1.239 1.00 9.00 C ATOM 906 C SER A 57 12.179 5.738 -0.616 1.00 9.44 C ATOM 907 O SER A 57 12.980 6.047 0.215 1.00 10.91 O ATOM 908 CB SER A 57 13.361 4.359 -2.345 1.00 10.32 C ATOM 909 OG SER A 57 13.048 5.208 -3.444 1.00 13.59 O ATOM 0 H SER A 57 10.919 3.632 -2.710 1.00 8.92 H new ATOM 0 HA SER A 57 12.482 3.645 -0.437 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.299 4.686 -1.896 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.519 3.344 -2.711 1.00 10.32 H new ATOM 0 HG SER A 57 13.779 5.182 -4.096 1.00 13.59 H new ATOM 915 N ASP A 58 11.139 6.579 -0.885 1.00 9.11 N ATOM 916 CA ASP A 58 10.919 7.807 -0.180 1.00 7.91 C ATOM 917 C ASP A 58 10.747 7.682 1.307 1.00 9.12 C ATOM 918 O ASP A 58 11.340 8.418 2.100 1.00 8.61 O ATOM 919 CB ASP A 58 9.771 8.595 -0.794 1.00 8.41 C ATOM 920 CG ASP A 58 10.108 9.224 -2.113 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.076 10.011 -2.176 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.443 8.947 -3.161 1.00 11.70 O ATOM 0 H ASP A 58 10.444 6.392 -1.608 1.00 9.11 H new ATOM 0 HA ASP A 58 11.852 8.358 -0.303 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.916 7.931 -0.926 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.464 9.375 -0.097 1.00 8.41 H new ATOM 927 N TYR A 59 10.034 6.662 1.710 1.00 7.97 N ATOM 928 CA TYR A 59 9.660 6.452 3.126 1.00 8.45 C ATOM 929 C TYR A 59 10.585 5.437 3.751 1.00 10.98 C ATOM 930 O TYR A 59 10.313 4.988 4.826 1.00 12.95 O ATOM 931 CB TYR A 59 8.255 5.890 3.267 1.00 7.94 C ATOM 932 CG TYR A 59 7.204 6.803 2.745 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.647 7.825 3.511 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.644 6.563 1.482 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.590 8.613 3.022 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.641 7.395 0.929 1.00 6.52 C ATOM 937 CZ TYR A 59 5.137 8.401 1.747 1.00 6.76 C ATOM 938 OH TYR A 59 4.200 9.347 1.291 1.00 7.63 O ATOM 0 H TYR A 59 9.685 5.939 1.080 1.00 7.97 H new ATOM 0 HA TYR A 59 9.723 7.425 3.612 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.196 4.939 2.738 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.057 5.683 4.319 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.035 8.016 4.501 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.990 5.714 0.911 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.142 9.375 3.643 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.284 7.255 -0.081 1.00 6.52 H new ATOM 0 HH TYR A 59 4.543 10.251 1.452 1.00 7.63 H new ATOM 948 N ASN A 60 11.677 5.046 3.040 1.00 12.38 N ATOM 949 CA ASN A 60 12.715 4.157 3.449 1.00 13.94 C ATOM 950 C ASN A 60 12.218 2.764 3.642 1.00 14.16 C ATOM 951 O ASN A 60 12.557 2.100 4.605 1.00 14.26 O ATOM 952 CB ASN A 60 13.474 4.664 4.689 1.00 19.23 C ATOM 953 CG ASN A 60 14.052 5.995 4.446 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.730 6.207 3.454 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.861 6.915 5.419 1.00 24.09 N ATOM 0 H ASN A 60 11.834 5.392 2.094 1.00 12.38 H new ATOM 0 HA ASN A 60 13.433 4.134 2.629 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.796 4.708 5.542 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.266 3.961 4.947 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.293 7.836 5.342 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.285 6.688 6.229 1.00 24.09 H new ATOM 962 N ILE A 61 11.331 2.204 2.734 1.00 11.08 N ATOM 963 CA ILE A 61 10.710 0.887 2.968 1.00 11.78 C ATOM 964 C ILE A 61 11.527 -0.133 2.317 1.00 13.74 C ATOM 965 O ILE A 61 11.675 -0.181 1.083 1.00 14.60 O ATOM 966 CB ILE A 61 9.269 0.893 2.408 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.408 1.882 3.179 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.702 -0.561 2.350 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.027 2.098 2.517 1.00 11.42 C ATOM 0 H ILE A 61 11.052 2.652 1.861 1.00 11.08 H new ATOM 0 HA ILE A 61 10.656 0.668 4.034 1.00 11.78 H new ATOM 0 HB ILE A 61 9.265 1.246 1.377 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.268 1.521 4.198 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.929 2.837 3.248 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.687 -0.540 1.954 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.332 -1.172 1.703 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.691 -0.988 3.353 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.450 2.812 3.104 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.164 2.485 1.507 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.493 1.149 2.472 1.00 11.42 H new ATOM 981 N GLN A 62 12.084 -0.995 3.210 1.00 13.97 N ATOM 982 CA GLN A 62 12.965 -2.084 2.739 1.00 15.52 C ATOM 983 C GLN A 62 12.219 -3.329 2.566 1.00 13.94 C ATOM 984 O GLN A 62 11.026 -3.308 2.856 1.00 12.15 O ATOM 985 CB GLN A 62 14.054 -2.362 3.739 1.00 19.53 C ATOM 986 CG GLN A 62 14.851 -1.119 4.262 1.00 26.38 C ATOM 987 CD GLN A 62 15.571 -0.420 3.111 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.294 0.710 2.792 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.491 -1.161 2.478 1.00 32.71 N ATOM 0 H GLN A 62 11.943 -0.957 4.220 1.00 13.97 H new ATOM 0 HA GLN A 62 13.385 -1.755 1.789 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.610 -2.869 4.596 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.762 -3.058 3.289 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.169 -0.422 4.749 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.575 -1.434 5.013 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.684 -2.112 2.792 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.998 -0.774 1.682 1.00 32.71 H new ATOM 998 N LYS A 63 12.875 -4.378 2.112 1.00 11.73 N ATOM 999 CA LYS A 63 12.299 -5.724 2.095 1.00 11.97 C ATOM 1000 C LYS A 63 11.755 -6.265 3.386 1.00 10.41 C ATOM 1001 O LYS A 63 12.174 -5.887 4.482 1.00 9.59 O ATOM 1002 CB LYS A 63 13.349 -6.761 1.537 1.00 13.73 C ATOM 1003 CG LYS A 63 14.471 -7.130 2.533 1.00 16.98 C ATOM 1004 CD LYS A 63 15.469 -8.073 1.877 1.00 20.19 C ATOM 1005 CE LYS A 63 16.566 -8.621 2.725 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.007 -9.640 3.597 1.00 25.97 N ATOM 0 H LYS A 63 13.824 -4.330 1.742 1.00 11.73 H new ATOM 0 HA LYS A 63 11.430 -5.601 1.449 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.824 -7.671 1.246 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.801 -6.352 0.634 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.980 -6.227 2.869 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.042 -7.601 3.417 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.913 -8.914 1.463 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.925 -7.548 1.037 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.352 -9.046 2.100 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.022 -7.826 3.315 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.740 -9.974 4.255 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.214 -9.238 4.137 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.666 -10.438 3.024 1.00 25.97 H new ATOM 1020 N GLU A 64 10.673 -7.068 3.368 1.00 10.04 N ATOM 1021 CA GLU A 64 10.038 -7.727 4.522 1.00 10.94 C ATOM 1022 C GLU A 64 9.291 -6.726 5.412 1.00 9.74 C ATOM 1023 O GLU A 64 8.940 -6.900 6.574 1.00 9.42 O ATOM 1024 CB GLU A 64 11.034 -8.600 5.352 1.00 18.31 C ATOM 1025 CG GLU A 64 11.634 -9.733 4.449 1.00 24.16 C ATOM 1026 CD GLU A 64 12.786 -10.375 5.186 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.903 -9.809 5.214 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.506 -11.445 5.821 1.00 32.61 O ATOM 0 H GLU A 64 10.192 -7.286 2.495 1.00 10.04 H new ATOM 0 HA GLU A 64 9.301 -8.414 4.106 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.835 -7.976 5.747 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.520 -9.039 6.207 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.871 -10.476 4.218 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.975 -9.320 3.500 1.00 24.16 H new ATOM 1035 N SER A 65 9.005 -5.524 4.804 1.00 6.85 N ATOM 1036 CA SER A 65 8.120 -4.563 5.438 1.00 6.90 C ATOM 1037 C SER A 65 6.679 -4.978 5.462 1.00 4.72 C ATOM 1038 O SER A 65 6.120 -5.572 4.535 1.00 3.91 O ATOM 1039 CB SER A 65 8.250 -3.181 4.797 1.00 7.28 C ATOM 1040 OG SER A 65 9.604 -2.671 5.027 1.00 10.56 O ATOM 0 H SER A 65 9.378 -5.232 3.901 1.00 6.85 H new ATOM 0 HA SER A 65 8.449 -4.520 6.476 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.048 -3.242 3.728 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.514 -2.499 5.222 1.00 7.28 H new ATOM 0 HG SER A 65 10.215 -3.055 4.364 1.00 10.56 H new ATOM 1046 N THR A 66 5.958 -4.538 6.544 1.00 4.48 N ATOM 1047 CA THR A 66 4.509 -4.753 6.608 1.00 3.80 C ATOM 1048 C THR A 66 3.810 -3.407 6.477 1.00 4.60 C ATOM 1049 O THR A 66 4.012 -2.537 7.315 1.00 5.33 O ATOM 1050 CB THR A 66 4.036 -5.364 7.906 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.492 -6.662 7.941 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.490 -5.460 8.035 1.00 3.40 C ATOM 0 H THR A 66 6.357 -4.051 7.347 1.00 4.48 H new ATOM 0 HA THR A 66 4.270 -5.446 5.801 1.00 3.80 H new ATOM 0 HB THR A 66 4.409 -4.724 8.706 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.203 -7.088 8.775 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.232 -5.909 8.994 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.057 -4.462 7.974 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.095 -6.077 7.228 1.00 3.40 H new ATOM 1060 N LEU A 67 2.984 -3.307 5.511 1.00 4.17 N ATOM 1061 CA LEU A 67 2.291 -2.138 5.166 1.00 3.85 C ATOM 1062 C LEU A 67 0.859 -2.302 5.528 1.00 3.80 C ATOM 1063 O LEU A 67 0.223 -3.359 5.272 1.00 5.54 O ATOM 1064 CB LEU A 67 2.443 -1.920 3.624 1.00 7.18 C ATOM 1065 CG LEU A 67 3.665 -1.099 3.198 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.993 -1.852 3.421 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.510 -0.621 1.763 1.00 11.66 C ATOM 0 H LEU A 67 2.761 -4.094 4.901 1.00 4.17 H new ATOM 0 HA LEU A 67 2.690 -1.275 5.698 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.493 -2.895 3.139 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.546 -1.425 3.253 1.00 7.18 H new ATOM 0 HG LEU A 67 3.713 -0.222 3.843 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.825 -1.224 3.102 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.103 -2.091 4.479 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.991 -2.774 2.840 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.386 -0.040 1.476 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.413 -1.482 1.101 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.619 0.002 1.681 1.00 11.66 H new ATOM 1079 N HIS A 68 0.168 -1.285 6.071 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.124 -1.513 6.674 1.00 4.17 C ATOM 1081 C HIS A 68 -2.235 -0.950 5.841 1.00 5.32 C ATOM 1082 O HIS A 68 -2.278 0.245 5.585 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.300 -0.801 8.038 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.210 -1.167 8.967 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.044 -0.616 8.932 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.115 -2.197 9.817 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.796 -1.326 9.783 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.164 -2.295 10.325 1.00 16.30 N ATOM 0 H HIS A 68 0.490 -0.317 6.097 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.167 -2.597 6.775 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.311 0.279 7.891 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.261 -1.073 8.474 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.346 0.179 8.368 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.929 -2.861 10.070 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.832 -1.102 9.990 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.202 -1.757 5.468 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.235 -1.381 4.489 1.00 3.97 C ATOM 1098 C LEU A 69 -5.561 -1.050 5.077 1.00 5.07 C ATOM 1099 O LEU A 69 -6.201 -1.864 5.701 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.408 -2.465 3.370 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.494 -2.162 2.288 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.411 -0.745 1.602 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.477 -3.224 1.187 1.00 9.96 C ATOM 0 H LEU A 69 -3.308 -2.705 5.830 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.854 -0.460 4.049 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.450 -2.597 2.868 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.652 -3.415 3.846 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.425 -2.175 2.855 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.213 -0.647 0.870 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.514 0.032 2.359 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.448 -0.639 1.102 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.241 -2.992 0.446 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.498 -3.235 0.708 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.679 -4.203 1.622 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.092 0.174 4.837 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.427 0.617 5.363 1.00 6.26 C ATOM 1117 C VAL A 70 -8.329 0.913 4.169 1.00 9.22 C ATOM 1118 O VAL A 70 -7.844 1.380 3.161 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.237 1.821 6.291 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.623 2.193 6.895 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.207 1.565 7.329 1.00 8.54 C ATOM 0 H VAL A 70 -5.619 0.884 4.279 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.905 -0.159 5.961 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.859 2.671 5.723 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.512 3.049 7.560 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.314 2.445 6.091 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.014 1.345 7.457 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.105 2.444 7.965 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.507 0.711 7.936 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.252 1.351 6.849 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.637 0.659 4.318 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.632 1.078 3.356 1.00 16.06 C ATOM 1133 C LEU A 71 -11.397 2.336 3.810 1.00 18.09 C ATOM 1134 O LEU A 71 -12.321 2.272 4.614 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.604 -0.157 3.129 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.025 -1.375 2.298 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.220 -0.897 1.119 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.182 -2.341 3.191 1.00 19.57 C ATOM 0 H LEU A 71 -10.022 0.155 5.116 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.151 1.365 2.421 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.916 -0.529 4.105 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.500 0.204 2.624 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.878 -1.939 1.921 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.836 -1.756 0.568 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.854 -0.300 0.464 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -9.386 -0.289 1.470 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.804 -3.162 2.582 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.344 -1.796 3.626 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.809 -2.740 3.988 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.019 3.449 3.239 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.631 4.747 3.474 1.00 25.83 C ATOM 1152 C ARG A 72 -13.010 4.897 2.727 1.00 27.74 C ATOM 1153 O ARG A 72 -13.324 4.098 1.829 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.686 5.969 3.308 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.158 6.153 1.832 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.364 7.465 1.610 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.236 8.663 1.438 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.741 9.134 0.253 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.360 8.571 -0.906 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.603 10.127 0.243 1.00 35.02 N ATOM 0 H ARG A 72 -10.249 3.487 2.571 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.852 4.763 4.541 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -11.214 6.872 3.613 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.835 5.855 3.980 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -9.521 5.306 1.576 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.006 6.132 1.148 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.700 7.627 2.459 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.733 7.354 0.728 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.480 9.181 2.282 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.697 7.796 -0.903 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.734 8.919 -1.789 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.901 10.553 1.121 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.974 10.472 -0.643 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.896 5.822 3.222 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.942 6.299 2.399 1.00 30.76 C ATOM 1176 C LEU A 73 -14.439 7.061 1.202 1.00 32.18 C ATOM 1177 O LEU A 73 -13.412 7.722 1.224 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.969 7.130 3.257 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.907 6.288 4.162 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.761 7.129 5.088 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.810 5.397 3.323 1.00 29.11 C ATOM 0 H LEU A 73 -13.869 6.212 4.164 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.465 5.436 1.988 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.414 7.827 3.885 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.582 7.728 2.582 1.00 30.53 H new ATOM 0 HG LEU A 73 -16.250 5.680 4.784 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.393 6.478 5.692 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.118 7.718 5.741 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.388 7.797 4.498 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -18.459 4.816 3.979 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.420 6.015 2.664 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -17.200 4.721 2.725 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.158 7.060 0.049 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.696 7.778 -1.119 1.00 35.33 C ATOM 1195 C ARG A 74 -14.795 9.338 -1.047 1.00 36.22 C ATOM 1196 O ARG A 74 -13.866 10.059 -1.492 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.341 7.066 -2.443 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.701 7.379 -3.791 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.146 6.502 -4.945 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.124 6.630 -6.004 1.00 41.13 N ATOM 1201 CZ ARG A 74 -13.878 5.679 -6.971 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.408 4.458 -7.017 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.111 6.074 -7.962 1.00 41.93 N ATOM 0 H ARG A 74 -16.045 6.571 -0.074 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.612 7.687 -1.180 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -15.305 5.987 -2.296 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.393 7.346 -2.497 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.916 8.417 -4.043 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -13.619 7.293 -3.689 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.243 5.464 -4.626 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.123 6.815 -5.312 1.00 39.75 H new ATOM 0 HE ARG A 74 -13.562 7.481 -6.021 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.059 4.157 -6.292 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.162 3.824 -7.777 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -12.745 7.026 -7.975 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -12.882 5.429 -8.718 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.866 9.819 -0.463 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.084 11.273 -0.167 1.00 36.07 C ATOM 1219 C GLY A 75 -15.383 11.701 1.144 1.00 36.16 C ATOM 1220 O GLY A 75 -15.158 12.841 1.461 1.00 36.26 O ATOM 0 H GLY A 75 -16.641 9.228 -0.163 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.706 11.874 -0.995 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.153 11.473 -0.090 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.838 10.664 1.941 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.354 10.847 3.308 1.00 36.19 C ATOM 1226 C GLY A 76 -12.780 10.813 3.466 1.00 36.20 C ATOM 1227 O GLY A 76 -12.330 9.943 4.236 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.097 11.599 2.761 1.00 0.00 O ATOM 0 H GLY A 76 -14.746 9.705 1.607 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.722 11.802 3.684 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.785 10.069 3.938 1.00 36.19 H new TER 1232 GLY A 76