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 133:sc= 0.764 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.674 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 156:sc= 0.785 (180deg=-0.0592) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.692 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.0216 USER MOD Set 3.2: A 9 THR OG1 : rot 4:sc= 0.02 USER MOD Single : A 1 MET CE :methyl 176:sc= -0.0348 (180deg=-0.0355) USER MOD Single : A 1 MET N :NH3+ -162:sc= 2.26 (180deg=2.07) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=0.72) USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= 1.17 (180deg=-0.0893) USER MOD Single : A 14 THR OG1 : rot -65:sc= 0.324 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00122 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 2.6 (180deg=2.18) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= 1.31 (180deg=1.22) USER MOD Single : A 31 GLN : amide:sc=-0.00674 X(o=-0.0067,f=-0.49) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.18 K(o=-0.18,f=-3.1!) USER MOD Single : A 41 GLN : amide:sc= 0.787 K(o=0.79,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0658 X(o=-0.066,f=0) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.345 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 97:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00417 X(o=-0.0042,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.201 -6.848 -4.946 1.00 9.67 N ATOM 2 CA MET A 1 11.327 -7.200 -3.484 1.00 10.38 C ATOM 3 C MET A 1 9.912 -7.627 -2.938 1.00 9.62 C ATOM 4 O MET A 1 8.879 -7.333 -3.534 1.00 9.62 O ATOM 5 CB MET A 1 11.876 -5.964 -2.638 1.00 13.77 C ATOM 6 CG MET A 1 10.834 -4.827 -2.454 1.00 16.29 C ATOM 7 SD MET A 1 11.497 -3.570 -1.344 1.00 17.17 S ATOM 8 CE MET A 1 10.270 -2.361 -1.747 1.00 16.11 C ATOM 0 H1 MET A 1 12.142 -6.862 -5.389 1.00 9.67 H new ATOM 0 H2 MET A 1 10.585 -7.541 -5.418 1.00 9.67 H new ATOM 0 H3 MET A 1 10.789 -5.898 -5.040 1.00 9.67 H new ATOM 0 HA MET A 1 12.037 -8.021 -3.382 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.193 -6.318 -1.657 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.760 -5.560 -3.132 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.592 -4.383 -3.419 1.00 16.29 H new ATOM 0 HG3 MET A 1 9.907 -5.232 -2.048 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.412 -1.477 -1.125 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.363 -2.084 -2.797 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.278 -2.775 -1.567 1.00 16.11 H new ATOM 20 N GLN A 2 9.871 -8.351 -1.808 1.00 9.27 N ATOM 21 CA GLN A 2 8.636 -8.783 -1.175 1.00 9.07 C ATOM 22 C GLN A 2 8.101 -7.761 -0.148 1.00 8.72 C ATOM 23 O GLN A 2 8.919 -7.337 0.658 1.00 8.22 O ATOM 24 CB GLN A 2 8.860 -10.182 -0.512 1.00 14.46 C ATOM 25 CG GLN A 2 7.521 -10.847 -0.411 1.00 17.01 C ATOM 26 CD GLN A 2 7.683 -12.366 -0.276 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.457 -13.053 0.736 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.977 -13.000 -1.444 1.00 19.49 N ATOM 0 H GLN A 2 10.709 -8.651 -1.311 1.00 9.27 H new ATOM 0 HA GLN A 2 7.871 -8.859 -1.948 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.544 -10.785 -1.109 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.310 -10.072 0.475 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.978 -10.456 0.449 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.926 -10.616 -1.295 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.166 -12.456 -2.286 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.009 -14.019 -1.477 1.00 19.49 H new ATOM 37 N ILE A 3 6.785 -7.504 -0.122 1.00 5.87 N ATOM 38 CA ILE A 3 6.211 -6.760 0.995 1.00 5.07 C ATOM 39 C ILE A 3 4.926 -7.538 1.316 1.00 4.01 C ATOM 40 O ILE A 3 4.345 -8.309 0.536 1.00 4.61 O ATOM 41 CB ILE A 3 5.829 -5.289 0.786 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.940 -5.059 -0.407 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.137 -4.464 0.630 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.462 -3.582 -0.486 1.00 10.83 C ATOM 0 H ILE A 3 6.120 -7.792 -0.840 1.00 5.87 H new ATOM 0 HA ILE A 3 6.980 -6.696 1.765 1.00 5.07 H new ATOM 0 HB ILE A 3 5.254 -4.972 1.656 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.479 -5.317 -1.319 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.075 -5.720 -0.350 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.889 -3.413 0.480 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.743 -4.569 1.530 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.698 -4.830 -0.230 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.823 -3.453 -1.359 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.901 -3.332 0.415 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.327 -2.924 -0.569 1.00 10.83 H new ATOM 56 N PHE A 4 4.480 -7.376 2.595 1.00 4.55 N ATOM 57 CA PHE A 4 3.265 -7.988 3.025 1.00 4.68 C ATOM 58 C PHE A 4 2.321 -6.917 3.442 1.00 5.30 C ATOM 59 O PHE A 4 2.671 -5.930 4.085 1.00 5.58 O ATOM 60 CB PHE A 4 3.479 -8.925 4.286 1.00 4.83 C ATOM 61 CG PHE A 4 4.387 -10.079 3.936 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.968 -11.103 3.048 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.674 -10.178 4.398 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.768 -12.219 2.771 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.387 -11.360 4.309 1.00 10.61 C ATOM 66 CZ PHE A 4 5.941 -12.405 3.523 1.00 8.90 C ATOM 0 H PHE A 4 4.961 -6.829 3.309 1.00 4.55 H new ATOM 0 HA PHE A 4 2.888 -8.586 2.195 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.911 -8.350 5.105 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.518 -9.303 4.634 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.003 -11.020 2.571 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.142 -9.312 4.842 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.490 -12.920 1.998 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.308 -11.468 4.863 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.480 -13.340 3.487 1.00 8.90 H new ATOM 76 N VAL A 5 1.018 -7.057 3.079 1.00 4.44 N ATOM 77 CA VAL A 5 -0.044 -6.098 3.376 1.00 3.87 C ATOM 78 C VAL A 5 -1.097 -6.729 4.250 1.00 4.93 C ATOM 79 O VAL A 5 -1.462 -7.929 4.179 1.00 6.84 O ATOM 80 CB VAL A 5 -0.696 -5.613 2.089 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.540 -4.391 2.382 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.419 -5.133 1.148 1.00 9.13 C ATOM 0 H VAL A 5 0.684 -7.868 2.558 1.00 4.44 H new ATOM 0 HA VAL A 5 0.403 -5.253 3.900 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.295 -6.417 1.661 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.008 -4.042 1.461 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.313 -4.648 3.107 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.908 -3.602 2.789 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.020 -4.779 0.215 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.970 -4.320 1.621 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.099 -5.959 0.939 1.00 9.13 H new ATOM 92 N LYS A 6 -1.541 -6.049 5.309 1.00 6.04 N ATOM 93 CA LYS A 6 -2.419 -6.606 6.313 1.00 6.12 C ATOM 94 C LYS A 6 -3.715 -5.793 6.250 1.00 6.57 C ATOM 95 O LYS A 6 -3.744 -4.592 6.361 1.00 5.76 O ATOM 96 CB LYS A 6 -1.780 -6.407 7.725 1.00 7.45 C ATOM 97 CG LYS A 6 -0.541 -7.226 8.147 1.00 11.12 C ATOM 98 CD LYS A 6 -0.765 -8.724 8.141 1.00 14.54 C ATOM 99 CE LYS A 6 0.543 -9.445 8.349 1.00 18.84 C ATOM 100 NZ LYS A 6 0.449 -10.911 8.163 1.00 20.55 N ATOM 0 H LYS A 6 -1.289 -5.077 5.487 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.592 -7.669 6.142 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.514 -5.354 7.812 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.560 -6.601 8.461 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.285 -6.989 7.476 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.237 -6.918 9.147 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.469 -8.997 8.927 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.211 -9.029 7.194 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.282 -9.046 7.655 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.906 -9.238 9.356 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.385 -11.290 7.916 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.118 -11.352 9.045 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.222 -11.121 7.397 1.00 20.55 H new ATOM 114 N THR A 7 -4.839 -6.496 6.138 1.00 7.41 N ATOM 115 CA THR A 7 -6.173 -5.924 5.976 1.00 7.48 C ATOM 116 C THR A 7 -6.885 -5.777 7.334 1.00 8.75 C ATOM 117 O THR A 7 -6.443 -6.316 8.345 1.00 8.58 O ATOM 118 CB THR A 7 -7.062 -6.789 5.055 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.607 -7.941 5.641 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.423 -7.169 3.711 1.00 9.17 C ATOM 0 H THR A 7 -4.846 -7.516 6.158 1.00 7.41 H new ATOM 0 HA THR A 7 -6.031 -4.943 5.522 1.00 7.48 H new ATOM 0 HB THR A 7 -7.882 -6.097 4.866 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.153 -8.417 4.981 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.122 -7.775 3.134 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.182 -6.264 3.154 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.511 -7.738 3.890 1.00 9.17 H new ATOM 128 N LEU A 8 -7.964 -4.989 7.401 1.00 9.84 N ATOM 129 CA LEU A 8 -8.717 -4.789 8.667 1.00 14.15 C ATOM 130 C LEU A 8 -9.298 -6.080 9.265 1.00 17.37 C ATOM 131 O LEU A 8 -9.506 -6.259 10.469 1.00 17.01 O ATOM 132 CB LEU A 8 -9.882 -3.801 8.535 1.00 16.63 C ATOM 133 CG LEU A 8 -10.776 -3.262 9.718 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.037 -2.233 10.630 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.083 -2.652 9.162 1.00 18.59 C ATOM 0 H LEU A 8 -8.342 -4.477 6.604 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.952 -4.389 9.332 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.465 -2.916 8.054 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.574 -4.254 7.825 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.010 -4.119 10.350 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.708 -1.902 11.423 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.158 -2.703 11.071 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.729 -1.374 10.034 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.692 -2.283 9.987 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.843 -1.827 8.491 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.637 -3.415 8.615 1.00 18.59 H new ATOM 147 N THR A 9 -9.592 -6.997 8.280 1.00 18.33 N ATOM 148 CA THR A 9 -10.140 -8.306 8.576 1.00 19.24 C ATOM 149 C THR A 9 -9.070 -9.399 8.764 1.00 19.48 C ATOM 150 O THR A 9 -9.295 -10.585 9.053 1.00 23.14 O ATOM 151 CB THR A 9 -11.220 -8.738 7.522 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.757 -8.716 6.166 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.411 -7.792 7.508 1.00 19.70 C ATOM 0 H THR A 9 -9.447 -6.822 7.286 1.00 18.33 H new ATOM 0 HA THR A 9 -10.633 -8.202 9.543 1.00 19.24 H new ATOM 0 HB THR A 9 -11.473 -9.750 7.837 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.804 -8.486 6.149 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.134 -8.128 6.765 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.880 -7.783 8.492 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.074 -6.786 7.257 1.00 19.70 H new ATOM 161 N GLY A 10 -7.764 -8.982 8.684 1.00 19.43 N ATOM 162 CA GLY A 10 -6.577 -9.708 9.123 1.00 18.74 C ATOM 163 C GLY A 10 -5.911 -10.585 8.174 1.00 17.62 C ATOM 164 O GLY A 10 -4.996 -11.259 8.583 1.00 19.74 O ATOM 0 H GLY A 10 -7.525 -8.074 8.284 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.847 -8.974 9.465 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.856 -10.308 9.989 1.00 18.74 H new ATOM 168 N LYS A 11 -6.432 -10.666 6.944 1.00 13.56 N ATOM 169 CA LYS A 11 -5.898 -11.311 5.786 1.00 11.91 C ATOM 170 C LYS A 11 -4.463 -10.838 5.401 1.00 10.18 C ATOM 171 O LYS A 11 -4.091 -9.660 5.708 1.00 9.10 O ATOM 172 CB LYS A 11 -6.861 -11.303 4.515 1.00 13.43 C ATOM 173 CG LYS A 11 -6.635 -12.293 3.352 1.00 16.69 C ATOM 174 CD LYS A 11 -7.510 -12.010 2.099 1.00 17.92 C ATOM 175 CE LYS A 11 -7.327 -12.951 0.895 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.386 -12.750 -0.048 1.00 21.93 N ATOM 0 H LYS A 11 -7.330 -10.230 6.737 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.820 -12.350 6.106 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.876 -11.462 4.880 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.828 -10.299 4.093 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.585 -12.263 3.063 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.840 -13.304 3.704 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.557 -12.045 2.401 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.308 -10.991 1.767 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.364 -12.763 0.419 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.320 -13.988 1.231 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.083 -13.082 -0.986 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.226 -13.284 0.254 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.619 -11.738 -0.098 1.00 21.93 H new ATOM 190 N THR A 12 -3.577 -11.682 4.833 1.00 9.63 N ATOM 191 CA THR A 12 -2.280 -11.216 4.391 1.00 9.85 C ATOM 192 C THR A 12 -2.282 -11.172 2.880 1.00 11.66 C ATOM 193 O THR A 12 -2.769 -12.050 2.229 1.00 12.33 O ATOM 194 CB THR A 12 -1.144 -12.101 4.816 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.216 -12.272 6.239 1.00 10.91 O ATOM 196 CG2 THR A 12 0.180 -11.333 4.578 1.00 9.63 C ATOM 0 H THR A 12 -3.748 -12.675 4.678 1.00 9.63 H new ATOM 0 HA THR A 12 -2.124 -10.238 4.847 1.00 9.85 H new ATOM 0 HB THR A 12 -1.191 -13.045 4.274 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.482 -12.849 6.537 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.022 -11.956 4.880 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.272 -11.086 3.520 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.179 -10.415 5.166 1.00 9.63 H new ATOM 204 N ILE A 13 -1.788 -10.150 2.264 1.00 10.42 N ATOM 205 CA ILE A 13 -1.530 -10.080 0.829 1.00 11.84 C ATOM 206 C ILE A 13 -0.023 -10.017 0.736 1.00 10.55 C ATOM 207 O ILE A 13 0.536 -9.335 1.639 1.00 11.92 O ATOM 208 CB ILE A 13 -2.097 -8.866 0.162 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.444 -8.455 0.812 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.142 -9.101 -1.339 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.066 -7.206 0.260 1.00 16.46 C ATOM 0 H ILE A 13 -1.535 -9.291 2.753 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.996 -10.928 0.327 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.454 -7.999 0.314 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.151 -9.276 0.694 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.286 -8.321 1.882 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.554 -8.221 -1.833 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.133 -9.286 -1.709 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.771 -9.965 -1.553 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.003 -7.005 0.780 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.385 -6.367 0.402 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.263 -7.337 -0.804 1.00 16.46 H new ATOM 223 N THR A 14 0.633 -10.759 -0.170 1.00 9.39 N ATOM 224 CA THR A 14 2.028 -10.823 -0.426 1.00 9.63 C ATOM 225 C THR A 14 2.158 -10.212 -1.778 1.00 11.20 C ATOM 226 O THR A 14 1.426 -10.625 -2.710 1.00 11.63 O ATOM 227 CB THR A 14 2.526 -12.229 -0.599 1.00 10.38 C ATOM 228 OG1 THR A 14 2.270 -12.986 0.612 1.00 16.30 O ATOM 229 CG2 THR A 14 4.087 -12.193 -0.742 1.00 11.66 C ATOM 0 H THR A 14 0.119 -11.384 -0.791 1.00 9.39 H new ATOM 0 HA THR A 14 2.576 -10.356 0.393 1.00 9.63 H new ATOM 0 HB THR A 14 2.034 -12.671 -1.466 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.795 -12.611 1.349 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.464 -13.208 -0.869 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.359 -11.594 -1.611 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.524 -11.752 0.154 1.00 11.66 H new ATOM 237 N LEU A 15 3.126 -9.225 -1.941 1.00 8.29 N ATOM 238 CA LEU A 15 3.347 -8.542 -3.236 1.00 9.03 C ATOM 239 C LEU A 15 4.799 -8.603 -3.624 1.00 8.59 C ATOM 240 O LEU A 15 5.716 -8.580 -2.806 1.00 7.79 O ATOM 241 CB LEU A 15 3.016 -7.039 -3.062 1.00 11.08 C ATOM 242 CG LEU A 15 1.564 -6.815 -2.550 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.333 -5.332 -2.328 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.532 -7.458 -3.490 1.00 15.27 C ATOM 0 H LEU A 15 3.741 -8.908 -1.192 1.00 8.29 H new ATOM 0 HA LEU A 15 2.725 -9.026 -3.989 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.720 -6.592 -2.360 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.147 -6.527 -4.015 1.00 11.08 H new ATOM 0 HG LEU A 15 1.432 -7.316 -1.591 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.316 -5.172 -1.969 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.042 -4.960 -1.588 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.475 -4.797 -3.267 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.472 -7.283 -3.103 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.620 -7.017 -4.483 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.715 -8.531 -3.552 1.00 15.27 H new ATOM 256 N GLU A 16 5.022 -8.517 -4.914 1.00 11.04 N ATOM 257 CA GLU A 16 6.344 -8.264 -5.488 1.00 11.50 C ATOM 258 C GLU A 16 6.395 -6.946 -6.070 1.00 10.13 C ATOM 259 O GLU A 16 5.614 -6.654 -6.943 1.00 9.83 O ATOM 260 CB GLU A 16 6.599 -9.269 -6.687 1.00 17.22 C ATOM 261 CG GLU A 16 7.921 -9.279 -7.481 1.00 23.33 C ATOM 262 CD GLU A 16 9.237 -9.387 -6.724 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.454 -10.431 -6.032 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.136 -8.456 -6.819 1.00 28.90 O ATOM 0 H GLU A 16 4.287 -8.621 -5.613 1.00 11.04 H new ATOM 0 HA GLU A 16 7.079 -8.375 -4.690 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.465 -10.274 -6.288 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.800 -9.104 -7.410 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.876 -10.111 -8.183 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.956 -8.364 -8.073 1.00 23.33 H new ATOM 271 N VAL A 17 7.279 -6.029 -5.569 1.00 8.99 N ATOM 272 CA VAL A 17 7.275 -4.641 -5.912 1.00 8.85 C ATOM 273 C VAL A 17 8.711 -4.264 -6.081 1.00 8.04 C ATOM 274 O VAL A 17 9.609 -4.974 -5.650 1.00 8.99 O ATOM 275 CB VAL A 17 6.658 -3.747 -4.828 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.145 -3.911 -4.769 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.165 -4.083 -3.369 1.00 10.54 C ATOM 0 H VAL A 17 8.013 -6.277 -4.906 1.00 8.99 H new ATOM 0 HA VAL A 17 6.671 -4.495 -6.808 1.00 8.85 H new ATOM 0 HB VAL A 17 6.960 -2.739 -5.113 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.739 -3.264 -3.991 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.712 -3.638 -5.731 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.900 -4.949 -4.542 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.688 -3.412 -2.654 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.911 -5.114 -3.124 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.246 -3.954 -3.321 1.00 10.54 H new ATOM 287 N GLU A 18 8.926 -3.104 -6.749 1.00 7.29 N ATOM 288 CA GLU A 18 10.255 -2.436 -6.748 1.00 7.08 C ATOM 289 C GLU A 18 10.183 -1.282 -5.774 1.00 6.45 C ATOM 290 O GLU A 18 9.102 -0.730 -5.475 1.00 5.28 O ATOM 291 CB GLU A 18 10.659 -1.925 -8.143 1.00 10.28 C ATOM 292 CG GLU A 18 10.939 -3.074 -9.140 1.00 12.65 C ATOM 293 CD GLU A 18 12.214 -3.778 -8.811 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.318 -3.172 -8.896 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.193 -4.943 -8.423 1.00 18.17 O ATOM 0 H GLU A 18 8.210 -2.616 -7.288 1.00 7.29 H new ATOM 0 HA GLU A 18 11.015 -3.160 -6.454 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.864 -1.292 -8.538 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.549 -1.302 -8.054 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.113 -3.785 -9.121 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.992 -2.675 -10.153 1.00 12.65 H new ATOM 302 N PRO A 19 11.285 -0.800 -5.238 1.00 7.24 N ATOM 303 CA PRO A 19 11.379 0.478 -4.567 1.00 7.07 C ATOM 304 C PRO A 19 10.905 1.704 -5.368 1.00 6.65 C ATOM 305 O PRO A 19 10.246 2.572 -4.798 1.00 6.37 O ATOM 306 CB PRO A 19 12.853 0.561 -3.985 1.00 7.61 C ATOM 307 CG PRO A 19 13.198 -0.901 -3.786 1.00 8.16 C ATOM 308 CD PRO A 19 12.440 -1.554 -4.969 1.00 7.49 C ATOM 0 HA PRO A 19 10.650 0.524 -3.758 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.538 1.051 -4.677 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.891 1.120 -3.050 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.272 -1.081 -3.836 1.00 8.16 H new ATOM 0 HG3 PRO A 19 12.857 -1.277 -2.821 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.079 -1.593 -5.851 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.171 -2.582 -4.724 1.00 7.49 H new ATOM 316 N SER A 20 11.098 1.655 -6.661 1.00 6.80 N ATOM 317 CA SER A 20 10.757 2.764 -7.521 1.00 6.28 C ATOM 318 C SER A 20 9.280 2.803 -7.906 1.00 8.45 C ATOM 319 O SER A 20 8.770 3.733 -8.547 1.00 7.26 O ATOM 320 CB SER A 20 11.529 2.778 -8.862 1.00 8.57 C ATOM 321 OG SER A 20 12.945 2.880 -8.558 1.00 11.13 O ATOM 0 H SER A 20 11.494 0.851 -7.148 1.00 6.80 H new ATOM 0 HA SER A 20 11.029 3.623 -6.908 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.325 1.870 -9.430 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.209 3.618 -9.478 1.00 8.57 H new ATOM 0 HG SER A 20 13.459 2.889 -9.392 1.00 11.13 H new ATOM 327 N ASP A 21 8.435 1.784 -7.553 1.00 7.50 N ATOM 328 CA ASP A 21 7.026 1.789 -7.816 1.00 7.70 C ATOM 329 C ASP A 21 6.367 2.902 -6.964 1.00 7.08 C ATOM 330 O ASP A 21 6.714 3.074 -5.795 1.00 8.11 O ATOM 331 CB ASP A 21 6.402 0.372 -7.427 1.00 11.00 C ATOM 332 CG ASP A 21 6.981 -0.652 -8.369 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.523 -0.275 -9.489 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.813 -1.830 -8.095 1.00 14.36 O ATOM 0 H ASP A 21 8.754 0.942 -7.073 1.00 7.50 H new ATOM 0 HA ASP A 21 6.845 1.976 -8.875 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.639 0.119 -6.393 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.315 0.396 -7.508 1.00 11.00 H new ATOM 339 N THR A 22 5.413 3.647 -7.536 1.00 5.37 N ATOM 340 CA THR A 22 4.664 4.634 -6.790 1.00 6.01 C ATOM 341 C THR A 22 3.608 3.984 -5.865 1.00 8.01 C ATOM 342 O THR A 22 3.211 2.893 -6.153 1.00 8.11 O ATOM 343 CB THR A 22 4.005 5.646 -7.674 1.00 8.92 C ATOM 344 OG1 THR A 22 3.206 5.072 -8.720 1.00 10.22 O ATOM 345 CG2 THR A 22 5.057 6.494 -8.314 1.00 9.65 C ATOM 0 H THR A 22 5.150 3.575 -8.519 1.00 5.37 H new ATOM 0 HA THR A 22 5.398 5.152 -6.173 1.00 6.01 H new ATOM 0 HB THR A 22 3.339 6.223 -7.032 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.805 5.788 -9.256 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.585 7.234 -8.960 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.634 7.002 -7.542 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.720 5.865 -8.908 1.00 9.65 H new ATOM 353 N ILE A 23 3.172 4.609 -4.809 1.00 8.32 N ATOM 354 CA ILE A 23 2.074 4.097 -4.029 1.00 9.92 C ATOM 355 C ILE A 23 0.843 3.955 -4.828 1.00 10.01 C ATOM 356 O ILE A 23 0.150 2.956 -4.651 1.00 8.71 O ATOM 357 CB ILE A 23 1.800 4.846 -2.703 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.139 5.318 -2.025 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.059 3.917 -1.711 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.212 4.245 -1.596 1.00 12.30 C ATOM 0 H ILE A 23 3.564 5.485 -4.463 1.00 8.32 H new ATOM 0 HA ILE A 23 2.408 3.104 -3.727 1.00 9.92 H new ATOM 0 HB ILE A 23 1.190 5.717 -2.942 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.626 6.011 -2.711 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.871 5.887 -1.134 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.871 4.454 -0.781 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.111 3.602 -2.146 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.673 3.040 -1.506 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.069 4.747 -1.146 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.772 3.560 -0.872 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.538 3.686 -2.473 1.00 12.30 H new ATOM 372 N GLU A 24 0.623 4.837 -5.843 1.00 9.54 N ATOM 373 CA GLU A 24 -0.421 4.543 -6.837 1.00 11.81 C ATOM 374 C GLU A 24 -0.304 3.114 -7.499 1.00 11.14 C ATOM 375 O GLU A 24 -1.242 2.314 -7.468 1.00 10.62 O ATOM 376 CB GLU A 24 -0.501 5.625 -7.960 1.00 19.24 C ATOM 377 CG GLU A 24 -1.771 5.513 -8.880 1.00 27.76 C ATOM 378 CD GLU A 24 -1.740 6.584 -9.955 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.062 7.742 -9.576 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.577 6.338 -11.152 1.00 36.51 O ATOM 0 H GLU A 24 1.131 5.711 -5.983 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.342 4.558 -6.255 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.488 6.612 -7.498 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.391 5.552 -8.582 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.808 4.526 -9.341 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.674 5.618 -8.279 1.00 27.76 H new ATOM 387 N ASN A 25 0.904 2.789 -7.955 1.00 9.43 N ATOM 388 CA ASN A 25 1.243 1.517 -8.557 1.00 10.96 C ATOM 389 C ASN A 25 1.094 0.305 -7.612 1.00 9.68 C ATOM 390 O ASN A 25 0.563 -0.769 -7.915 1.00 9.33 O ATOM 391 CB ASN A 25 2.624 1.627 -9.213 1.00 16.78 C ATOM 392 CG ASN A 25 2.843 0.516 -10.164 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.425 -0.535 -9.755 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.466 0.644 -11.476 1.00 24.70 N ATOM 0 H ASN A 25 1.695 3.431 -7.910 1.00 9.43 H new ATOM 0 HA ASN A 25 0.507 1.303 -9.332 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.709 2.580 -9.735 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.398 1.613 -8.446 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.653 -0.111 -12.136 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.999 1.494 -11.792 1.00 24.70 H new ATOM 401 N VAL A 26 1.492 0.466 -6.319 1.00 6.52 N ATOM 402 CA VAL A 26 1.308 -0.446 -5.242 1.00 5.53 C ATOM 403 C VAL A 26 -0.144 -0.747 -4.953 1.00 4.42 C ATOM 404 O VAL A 26 -0.517 -1.903 -4.756 1.00 3.40 O ATOM 405 CB VAL A 26 2.082 0.064 -3.994 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.733 -0.922 -2.846 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.564 0.231 -4.338 1.00 8.12 C ATOM 0 H VAL A 26 1.981 1.310 -6.020 1.00 6.52 H new ATOM 0 HA VAL A 26 1.725 -1.408 -5.539 1.00 5.53 H new ATOM 0 HB VAL A 26 1.795 1.060 -3.658 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.249 -0.617 -1.935 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.657 -0.914 -2.674 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.048 -1.928 -3.122 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.103 0.589 -3.461 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.975 -0.729 -4.650 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.670 0.952 -5.148 1.00 8.12 H new ATOM 417 N LYS A 27 -0.991 0.296 -4.931 1.00 2.64 N ATOM 418 CA LYS A 27 -2.404 0.135 -4.669 1.00 4.14 C ATOM 419 C LYS A 27 -3.197 -0.481 -5.785 1.00 5.58 C ATOM 420 O LYS A 27 -3.998 -1.332 -5.507 1.00 4.11 O ATOM 421 CB LYS A 27 -2.989 1.522 -4.312 1.00 3.97 C ATOM 422 CG LYS A 27 -2.464 1.927 -2.886 1.00 7.45 C ATOM 423 CD LYS A 27 -3.137 3.168 -2.358 1.00 9.02 C ATOM 424 CE LYS A 27 -2.816 4.473 -3.123 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.801 5.478 -2.739 1.00 15.47 N ATOM 0 H LYS A 27 -0.704 1.261 -5.095 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.488 -0.574 -3.846 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.688 2.263 -5.052 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.078 1.488 -4.320 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.631 1.103 -2.192 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.387 2.092 -2.931 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.216 3.012 -2.377 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.852 3.299 -1.314 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.809 4.816 -2.884 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.847 4.301 -4.199 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.394 6.427 -2.860 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.645 5.384 -3.340 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.068 5.340 -1.743 1.00 15.47 H new ATOM 439 N ALA A 28 -2.815 -0.151 -7.025 1.00 6.61 N ATOM 440 CA ALA A 28 -3.154 -0.852 -8.229 1.00 7.74 C ATOM 441 C ALA A 28 -2.744 -2.303 -8.373 1.00 9.17 C ATOM 442 O ALA A 28 -3.512 -3.140 -8.823 1.00 11.45 O ATOM 443 CB ALA A 28 -2.636 -0.050 -9.462 1.00 7.68 C ATOM 0 H ALA A 28 -2.227 0.663 -7.204 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.241 -0.911 -8.169 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.894 -0.583 -10.377 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -3.098 0.937 -9.474 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.553 0.057 -9.397 1.00 7.68 H new ATOM 449 N LYS A 29 -1.545 -2.663 -7.902 1.00 8.96 N ATOM 450 CA LYS A 29 -1.199 -4.032 -7.522 1.00 7.90 C ATOM 451 C LYS A 29 -2.011 -4.747 -6.520 1.00 6.92 C ATOM 452 O LYS A 29 -2.381 -5.911 -6.657 1.00 6.87 O ATOM 453 CB LYS A 29 0.258 -4.116 -7.022 1.00 10.28 C ATOM 454 CG LYS A 29 0.866 -5.517 -6.914 1.00 14.94 C ATOM 455 CD LYS A 29 2.364 -5.485 -7.108 1.00 19.69 C ATOM 456 CE LYS A 29 2.631 -5.889 -8.547 1.00 22.63 C ATOM 457 NZ LYS A 29 4.034 -5.553 -8.884 1.00 24.98 N ATOM 0 H LYS A 29 -0.780 -2.001 -7.773 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.399 -4.536 -8.467 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.883 -3.524 -7.691 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.309 -3.646 -6.040 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.633 -5.942 -5.938 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.415 -6.170 -7.661 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.758 -4.489 -6.907 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.858 -6.168 -6.417 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.457 -6.957 -8.678 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.947 -5.370 -9.218 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.346 -6.132 -9.689 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.099 -4.546 -9.136 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.644 -5.744 -8.063 1.00 24.98 H new ATOM 471 N ILE A 30 -2.372 -4.122 -5.312 1.00 4.57 N ATOM 472 CA ILE A 30 -3.413 -4.691 -4.424 1.00 5.58 C ATOM 473 C ILE A 30 -4.783 -4.805 -5.130 1.00 7.26 C ATOM 474 O ILE A 30 -5.499 -5.795 -5.000 1.00 9.46 O ATOM 475 CB ILE A 30 -3.635 -3.960 -3.105 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.266 -3.961 -2.317 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.883 -4.350 -2.196 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.179 -2.948 -1.190 1.00 2.00 C ATOM 0 H ILE A 30 -1.954 -3.256 -4.971 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.003 -5.673 -4.187 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.952 -2.956 -3.388 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.101 -4.957 -1.905 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.457 -3.769 -3.022 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.886 -3.732 -1.298 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.805 -4.185 -2.754 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.813 -5.400 -1.913 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.204 -3.023 -0.708 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.308 -1.943 -1.593 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.962 -3.149 -0.459 1.00 2.00 H new ATOM 490 N GLN A 31 -5.171 -3.861 -5.982 1.00 7.06 N ATOM 491 CA GLN A 31 -6.315 -4.079 -6.884 1.00 8.67 C ATOM 492 C GLN A 31 -6.200 -5.312 -7.821 1.00 10.90 C ATOM 493 O GLN A 31 -7.096 -6.141 -7.952 1.00 9.63 O ATOM 494 CB GLN A 31 -6.581 -2.815 -7.756 1.00 9.12 C ATOM 495 CG GLN A 31 -7.988 -2.876 -8.373 1.00 10.76 C ATOM 496 CD GLN A 31 -8.106 -1.717 -9.378 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.197 -1.333 -10.149 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.297 -1.115 -9.440 1.00 14.76 N ATOM 0 H GLN A 31 -4.723 -2.949 -6.073 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.147 -4.281 -6.210 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.483 -1.917 -7.146 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.833 -2.746 -8.546 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.146 -3.832 -8.871 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.750 -2.790 -7.598 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.051 -1.412 -8.821 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.452 -0.358 -10.106 1.00 14.76 H new ATOM 507 N ASP A 32 -5.000 -5.580 -8.336 1.00 10.93 N ATOM 508 CA ASP A 32 -4.726 -6.733 -9.129 1.00 14.01 C ATOM 509 C ASP A 32 -4.950 -8.044 -8.313 1.00 14.04 C ATOM 510 O ASP A 32 -5.556 -9.031 -8.779 1.00 13.39 O ATOM 511 CB ASP A 32 -3.275 -6.614 -9.641 1.00 18.01 C ATOM 512 CG ASP A 32 -3.328 -7.184 -10.980 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.140 -6.617 -11.818 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.675 -8.208 -11.198 1.00 26.29 O ATOM 0 H ASP A 32 -4.189 -4.977 -8.199 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.411 -6.785 -9.976 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.942 -5.576 -9.662 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.580 -7.159 -9.002 1.00 18.01 H new ATOM 519 N LYS A 33 -4.472 -8.051 -6.995 1.00 14.22 N ATOM 520 CA LYS A 33 -4.774 -9.247 -6.126 1.00 14.00 C ATOM 521 C LYS A 33 -6.208 -9.283 -5.618 1.00 12.37 C ATOM 522 O LYS A 33 -6.977 -10.251 -5.633 1.00 12.17 O ATOM 523 CB LYS A 33 -3.894 -9.144 -4.859 1.00 18.62 C ATOM 524 CG LYS A 33 -2.336 -9.175 -5.149 1.00 24.00 C ATOM 525 CD LYS A 33 -1.841 -10.533 -5.648 1.00 27.61 C ATOM 526 CE LYS A 33 -0.309 -10.772 -5.680 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.034 -12.235 -5.974 1.00 30.06 N ATOM 0 H LYS A 33 -3.927 -7.308 -6.557 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.591 -10.131 -6.737 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.137 -8.219 -4.335 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.144 -9.966 -4.188 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.096 -8.414 -5.891 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.798 -8.912 -4.238 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.288 -11.304 -5.021 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.225 -10.680 -6.657 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.153 -10.143 -6.442 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.134 -10.492 -4.724 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.993 -12.398 -5.996 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.462 -12.825 -5.232 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.444 -12.487 -6.896 1.00 30.06 H new ATOM 541 N GLU A 34 -6.717 -8.153 -5.183 1.00 10.11 N ATOM 542 CA GLU A 34 -7.880 -8.087 -4.285 1.00 10.07 C ATOM 543 C GLU A 34 -9.010 -7.125 -4.762 1.00 9.32 C ATOM 544 O GLU A 34 -9.990 -6.923 -4.066 1.00 11.61 O ATOM 545 CB GLU A 34 -7.449 -7.855 -2.773 1.00 14.77 C ATOM 546 CG GLU A 34 -6.742 -8.978 -2.001 1.00 18.75 C ATOM 547 CD GLU A 34 -7.505 -10.282 -1.856 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.497 -10.306 -1.063 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.040 -11.258 -2.423 1.00 25.19 O ATOM 0 H GLU A 34 -6.343 -7.239 -5.436 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.343 -9.073 -4.333 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.795 -6.983 -2.751 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.348 -7.593 -2.215 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.795 -9.190 -2.497 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.504 -8.609 -1.003 1.00 18.75 H new ATOM 556 N GLY A 35 -8.963 -6.509 -5.930 1.00 7.22 N ATOM 557 CA GLY A 35 -10.088 -5.708 -6.478 1.00 6.29 C ATOM 558 C GLY A 35 -10.381 -4.341 -5.956 1.00 6.93 C ATOM 559 O GLY A 35 -11.303 -3.709 -6.455 1.00 7.41 O ATOM 0 H GLY A 35 -8.148 -6.539 -6.542 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.919 -5.611 -7.550 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.994 -6.300 -6.350 1.00 6.29 H new ATOM 563 N ILE A 36 -9.577 -3.821 -5.016 1.00 5.86 N ATOM 564 CA ILE A 36 -9.999 -2.686 -4.269 1.00 6.07 C ATOM 565 C ILE A 36 -9.561 -1.396 -4.938 1.00 6.36 C ATOM 566 O ILE A 36 -8.407 -1.322 -5.316 1.00 6.18 O ATOM 567 CB ILE A 36 -9.293 -2.785 -2.958 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.450 -4.210 -2.373 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.856 -1.691 -1.947 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.806 -4.277 -0.984 1.00 9.49 C ATOM 0 H ILE A 36 -8.652 -4.179 -4.777 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.085 -2.672 -4.179 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.231 -2.594 -3.112 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.506 -4.471 -2.307 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.983 -4.938 -3.036 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.333 -1.773 -0.994 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.698 -0.696 -2.363 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.922 -1.854 -1.791 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.920 -5.282 -0.578 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.746 -4.035 -1.062 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.293 -3.561 -0.322 1.00 9.49 H new ATOM 582 N PRO A 37 -10.378 -0.328 -5.111 1.00 8.65 N ATOM 583 CA PRO A 37 -9.948 0.970 -5.569 1.00 9.18 C ATOM 584 C PRO A 37 -8.681 1.638 -5.092 1.00 9.85 C ATOM 585 O PRO A 37 -8.661 1.935 -3.937 1.00 8.51 O ATOM 586 CB PRO A 37 -11.164 1.868 -5.285 1.00 11.42 C ATOM 587 CG PRO A 37 -12.337 0.960 -5.517 1.00 9.27 C ATOM 588 CD PRO A 37 -11.782 -0.343 -4.955 1.00 8.33 C ATOM 0 HA PRO A 37 -9.633 0.811 -6.600 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.150 2.251 -4.265 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.188 2.732 -5.950 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.232 1.293 -4.991 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.599 0.880 -6.572 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.047 -0.446 -3.903 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.214 -1.197 -5.477 1.00 8.33 H new ATOM 596 N PRO A 38 -7.616 2.048 -5.849 1.00 8.71 N ATOM 597 CA PRO A 38 -6.458 2.927 -5.383 1.00 9.08 C ATOM 598 C PRO A 38 -6.846 4.164 -4.737 1.00 9.28 C ATOM 599 O PRO A 38 -6.136 4.596 -3.825 1.00 6.50 O ATOM 600 CB PRO A 38 -5.575 2.997 -6.651 1.00 10.31 C ATOM 601 CG PRO A 38 -5.867 1.747 -7.465 1.00 10.81 C ATOM 602 CD PRO A 38 -7.374 1.475 -7.136 1.00 12.00 C ATOM 0 HA PRO A 38 -5.893 2.526 -4.541 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.799 3.894 -7.228 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.519 3.045 -6.384 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.707 1.910 -8.531 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.230 0.913 -7.171 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.023 1.923 -7.889 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.583 0.405 -7.130 1.00 12.00 H new ATOM 610 N ASP A 39 -7.953 4.800 -5.232 1.00 11.20 N ATOM 611 CA ASP A 39 -8.496 5.998 -4.604 1.00 14.96 C ATOM 612 C ASP A 39 -9.058 5.759 -3.154 1.00 13.99 C ATOM 613 O ASP A 39 -8.739 6.460 -2.176 1.00 13.75 O ATOM 614 CB ASP A 39 -9.562 6.602 -5.510 1.00 24.16 C ATOM 615 CG ASP A 39 -10.252 7.901 -5.001 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.521 8.779 -4.504 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.489 8.015 -5.240 1.00 34.22 O ATOM 0 H ASP A 39 -8.466 4.489 -6.057 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.669 6.696 -4.478 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.107 6.814 -6.478 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.333 5.850 -5.678 1.00 24.16 H new ATOM 622 N GLN A 40 -9.764 4.700 -2.868 1.00 11.60 N ATOM 623 CA GLN A 40 -10.229 4.236 -1.531 1.00 10.76 C ATOM 624 C GLN A 40 -9.142 3.768 -0.635 1.00 8.01 C ATOM 625 O GLN A 40 -9.181 4.018 0.553 1.00 8.96 O ATOM 626 CB GLN A 40 -11.374 3.225 -1.738 1.00 11.14 C ATOM 627 CG GLN A 40 -12.330 3.165 -0.475 1.00 14.85 C ATOM 628 CD GLN A 40 -13.367 2.062 -0.559 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.626 1.346 0.414 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.060 1.986 -1.715 1.00 18.16 N ATOM 0 H GLN A 40 -10.070 4.066 -3.606 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.619 5.090 -0.977 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.951 3.503 -2.620 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.958 2.236 -1.928 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.727 3.020 0.422 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.837 4.124 -0.366 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.816 2.594 -2.497 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.827 1.320 -1.807 1.00 18.16 H new ATOM 639 N GLN A 41 -8.214 3.012 -1.218 1.00 6.52 N ATOM 640 CA GLN A 41 -7.105 2.353 -0.543 1.00 3.87 C ATOM 641 C GLN A 41 -6.126 3.393 0.052 1.00 4.79 C ATOM 642 O GLN A 41 -5.624 4.308 -0.641 1.00 6.34 O ATOM 643 CB GLN A 41 -6.182 1.552 -1.507 1.00 4.20 C ATOM 644 CG GLN A 41 -6.807 0.173 -1.911 1.00 3.20 C ATOM 645 CD GLN A 41 -5.831 -0.699 -2.667 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.920 -1.155 -2.019 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.122 -1.063 -3.923 1.00 7.13 N ATOM 0 H GLN A 41 -8.218 2.836 -2.223 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.593 1.712 0.191 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.996 2.142 -2.404 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.216 1.386 -1.029 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.139 -0.350 -1.014 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.691 0.343 -2.526 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.909 -0.633 -4.409 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.557 -1.770 -4.393 1.00 7.13 H new ATOM 656 N ARG A 42 -5.893 3.295 1.349 1.00 5.73 N ATOM 657 CA ARG A 42 -4.931 4.052 2.113 1.00 6.97 C ATOM 658 C ARG A 42 -3.948 3.030 2.833 1.00 7.15 C ATOM 659 O ARG A 42 -4.389 2.012 3.358 1.00 7.33 O ATOM 660 CB ARG A 42 -5.654 5.001 3.094 1.00 13.23 C ATOM 661 CG ARG A 42 -6.277 6.209 2.476 1.00 21.27 C ATOM 662 CD ARG A 42 -6.778 7.160 3.487 1.00 26.14 C ATOM 663 NE ARG A 42 -7.161 8.395 2.783 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.318 9.535 3.459 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.318 9.607 4.794 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.490 10.672 2.767 1.00 36.39 N ATOM 0 H ARG A 42 -6.410 2.637 1.932 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.332 4.693 1.466 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.430 4.438 3.612 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.940 5.328 3.849 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.545 6.709 1.842 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.100 5.901 1.831 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.633 6.740 4.017 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.010 7.366 4.233 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.307 8.379 1.774 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.193 8.761 5.350 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.443 10.508 5.256 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.499 10.652 1.747 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.612 11.556 3.261 1.00 36.39 H new ATOM 680 N LEU A 43 -2.620 3.237 2.731 1.00 4.65 N ATOM 681 CA LEU A 43 -1.671 2.335 3.243 1.00 3.51 C ATOM 682 C LEU A 43 -0.908 3.089 4.275 1.00 5.56 C ATOM 683 O LEU A 43 -0.367 4.150 3.980 1.00 4.19 O ATOM 684 CB LEU A 43 -0.719 1.813 2.066 1.00 3.74 C ATOM 685 CG LEU A 43 -1.423 0.826 1.005 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.573 0.560 -0.307 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.756 -0.533 1.650 1.00 6.41 C ATOM 0 H LEU A 43 -2.212 4.055 2.279 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.136 1.451 3.680 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.324 2.676 1.530 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.132 1.297 2.510 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.331 1.350 0.705 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.121 -0.114 -0.965 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.394 1.504 -0.822 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.381 0.107 -0.037 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.230 -1.180 0.912 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.838 -1.001 2.006 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.435 -0.381 2.489 1.00 6.41 H new ATOM 699 N ILE A 44 -0.714 2.571 5.534 1.00 4.58 N ATOM 700 CA ILE A 44 -0.133 3.401 6.607 1.00 5.55 C ATOM 701 C ILE A 44 1.178 2.663 6.881 1.00 5.46 C ATOM 702 O ILE A 44 1.178 1.437 7.044 1.00 6.04 O ATOM 703 CB ILE A 44 -0.879 3.407 7.940 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.176 4.217 7.781 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.024 4.063 9.078 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.230 3.928 8.865 1.00 13.90 C ATOM 0 H ILE A 44 -0.947 1.616 5.808 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.108 4.441 6.283 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.111 2.382 8.228 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.933 5.280 7.798 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.608 4.005 6.803 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.521 4.060 10.022 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.944 3.489 9.189 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.268 5.089 8.803 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.115 4.538 8.684 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.503 2.873 8.835 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.819 4.168 9.845 1.00 13.90 H new ATOM 718 N PHE A 45 2.314 3.321 6.904 1.00 6.75 N ATOM 719 CA PHE A 45 3.547 2.691 7.252 1.00 4.70 C ATOM 720 C PHE A 45 4.362 3.672 8.082 1.00 6.34 C ATOM 721 O PHE A 45 4.568 4.810 7.743 1.00 5.45 O ATOM 722 CB PHE A 45 4.373 2.405 6.024 1.00 5.51 C ATOM 723 CG PHE A 45 5.559 1.528 6.375 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.381 0.122 6.439 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.882 2.039 6.563 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.467 -0.702 6.847 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.933 1.240 6.844 1.00 6.64 C ATOM 728 CZ PHE A 45 7.729 -0.142 7.010 1.00 6.84 C ATOM 0 H PHE A 45 2.399 4.312 6.679 1.00 6.75 H new ATOM 0 HA PHE A 45 3.320 1.766 7.782 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.758 1.911 5.272 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.722 3.341 5.587 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.430 -0.319 6.180 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.046 3.103 6.477 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.312 -1.755 7.029 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.924 1.659 6.941 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.564 -0.777 7.268 1.00 6.84 H new ATOM 738 N ALA A 46 4.818 3.197 9.236 1.00 6.53 N ATOM 739 CA ALA A 46 5.520 3.941 10.279 1.00 7.15 C ATOM 740 C ALA A 46 4.901 5.213 10.806 1.00 9.00 C ATOM 741 O ALA A 46 5.541 6.267 10.945 1.00 11.15 O ATOM 742 CB ALA A 46 7.052 3.991 10.195 1.00 8.99 C ATOM 0 H ALA A 46 4.699 2.215 9.486 1.00 6.53 H new ATOM 0 HA ALA A 46 5.314 3.238 11.086 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.443 4.574 11.029 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.452 2.978 10.241 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.350 4.456 9.255 1.00 8.99 H new ATOM 748 N GLY A 47 3.602 5.129 11.075 1.00 9.35 N ATOM 749 CA GLY A 47 2.779 6.234 11.572 1.00 11.68 C ATOM 750 C GLY A 47 2.349 7.279 10.455 1.00 11.14 C ATOM 751 O GLY A 47 1.563 8.177 10.798 1.00 13.93 O ATOM 0 H GLY A 47 3.074 4.265 10.950 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.881 5.824 12.035 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.329 6.759 12.353 1.00 11.68 H new ATOM 755 N LYS A 48 2.714 7.038 9.173 1.00 10.47 N ATOM 756 CA LYS A 48 2.398 7.931 8.064 1.00 8.82 C ATOM 757 C LYS A 48 1.570 7.270 6.996 1.00 7.68 C ATOM 758 O LYS A 48 1.686 6.092 6.727 1.00 6.47 O ATOM 759 CB LYS A 48 3.679 8.318 7.308 1.00 9.74 C ATOM 760 CG LYS A 48 4.748 9.087 8.130 1.00 14.14 C ATOM 761 CD LYS A 48 5.755 9.732 7.222 1.00 16.32 C ATOM 762 CE LYS A 48 6.870 10.445 8.018 1.00 20.04 C ATOM 763 NZ LYS A 48 7.514 11.318 7.073 1.00 23.92 N ATOM 0 H LYS A 48 3.239 6.210 8.892 1.00 10.47 H new ATOM 0 HA LYS A 48 1.875 8.768 8.526 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.135 7.409 6.917 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.400 8.929 6.450 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.264 9.848 8.743 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.252 8.402 8.811 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.198 8.975 6.574 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.253 10.451 6.575 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.457 11.008 8.855 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.576 9.727 8.434 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.283 11.835 7.546 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.905 10.755 6.291 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.820 11.996 6.698 1.00 23.92 H new ATOM 777 N GLN A 49 0.540 8.008 6.452 1.00 8.89 N ATOM 778 CA GLN A 49 -0.293 7.540 5.373 1.00 7.18 C ATOM 779 C GLN A 49 0.343 7.916 4.093 1.00 8.23 C ATOM 780 O GLN A 49 0.617 9.122 3.843 1.00 9.70 O ATOM 781 CB GLN A 49 -1.761 7.971 5.467 1.00 11.67 C ATOM 782 CG GLN A 49 -2.010 9.551 5.545 1.00 15.82 C ATOM 783 CD GLN A 49 -3.485 9.915 5.763 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.047 9.602 6.810 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.208 10.592 4.810 1.00 20.67 N ATOM 0 H GLN A 49 0.295 8.943 6.778 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.357 6.454 5.444 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.293 7.579 4.600 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.202 7.507 6.349 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.415 9.967 6.358 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.659 10.015 4.623 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.766 10.864 3.932 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.187 10.823 4.981 1.00 20.67 H new ATOM 794 N LEU A 50 0.723 6.898 3.283 1.00 6.51 N ATOM 795 CA LEU A 50 1.572 7.006 2.141 1.00 7.41 C ATOM 796 C LEU A 50 0.821 7.640 0.948 1.00 8.27 C ATOM 797 O LEU A 50 -0.206 7.140 0.514 1.00 8.34 O ATOM 798 CB LEU A 50 2.103 5.611 1.733 1.00 7.13 C ATOM 799 CG LEU A 50 2.782 4.773 2.856 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.457 3.532 2.274 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.854 5.516 3.584 1.00 9.11 C ATOM 0 H LEU A 50 0.412 5.940 3.445 1.00 6.51 H new ATOM 0 HA LEU A 50 2.410 7.650 2.408 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.271 5.033 1.331 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.821 5.742 0.923 1.00 7.13 H new ATOM 0 HG LEU A 50 1.974 4.523 3.543 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.925 2.962 3.077 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.712 2.912 1.776 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.217 3.835 1.554 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.284 4.874 4.352 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.632 5.813 2.881 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.428 6.404 4.051 1.00 9.11 H new ATOM 813 N GLU A 51 1.356 8.642 0.263 1.00 9.43 N ATOM 814 CA GLU A 51 0.757 9.431 -0.782 1.00 11.90 C ATOM 815 C GLU A 51 1.002 8.896 -2.188 1.00 11.49 C ATOM 816 O GLU A 51 2.133 8.437 -2.470 1.00 9.88 O ATOM 817 CB GLU A 51 1.256 10.910 -0.751 1.00 16.56 C ATOM 818 CG GLU A 51 1.000 11.464 0.665 1.00 26.06 C ATOM 819 CD GLU A 51 1.339 12.971 0.800 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.867 13.780 0.000 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.146 13.299 1.767 1.00 33.44 O ATOM 0 H GLU A 51 2.312 8.944 0.451 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.311 9.373 -0.571 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.317 10.960 -0.995 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.729 11.507 -1.496 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.047 11.309 0.925 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.594 10.898 1.383 1.00 26.06 H new ATOM 828 N ASP A 52 -0.026 8.981 -3.030 1.00 12.71 N ATOM 829 CA ASP A 52 -0.047 8.235 -4.220 1.00 16.56 C ATOM 830 C ASP A 52 1.071 8.409 -5.218 1.00 15.83 C ATOM 831 O ASP A 52 1.585 7.501 -5.811 1.00 17.21 O ATOM 832 CB ASP A 52 -1.322 8.615 -4.927 1.00 21.05 C ATOM 833 CG ASP A 52 -2.515 8.731 -4.048 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.655 9.820 -3.488 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.332 7.792 -3.929 1.00 25.82 O ATOM 0 H ASP A 52 -0.845 9.571 -2.881 1.00 12.71 H new ATOM 0 HA ASP A 52 0.057 7.200 -3.893 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.169 9.567 -5.434 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.528 7.873 -5.698 1.00 21.05 H new ATOM 840 N GLY A 53 1.521 9.691 -5.551 1.00 15.00 N ATOM 841 CA GLY A 53 2.646 10.019 -6.439 1.00 11.77 C ATOM 842 C GLY A 53 4.089 9.951 -5.851 1.00 11.10 C ATOM 843 O GLY A 53 5.078 10.420 -6.384 1.00 11.25 O ATOM 0 H GLY A 53 1.071 10.527 -5.177 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.603 9.346 -7.295 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.488 11.028 -6.819 1.00 11.77 H new ATOM 847 N ARG A 54 4.170 9.515 -4.598 1.00 8.53 N ATOM 848 CA ARG A 54 5.346 9.160 -3.930 1.00 9.05 C ATOM 849 C ARG A 54 5.651 7.665 -4.124 1.00 8.96 C ATOM 850 O ARG A 54 4.787 6.936 -4.588 1.00 11.60 O ATOM 851 CB ARG A 54 5.320 9.506 -2.437 1.00 7.97 C ATOM 852 CG ARG A 54 4.956 10.998 -2.214 1.00 9.62 C ATOM 853 CD ARG A 54 5.963 11.954 -2.886 1.00 12.20 C ATOM 854 NE ARG A 54 5.600 13.313 -2.478 1.00 18.23 N ATOM 855 CZ ARG A 54 6.348 14.363 -2.723 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.530 14.275 -3.356 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.906 15.595 -2.373 1.00 23.38 N ATOM 0 H ARG A 54 3.342 9.405 -4.013 1.00 8.53 H new ATOM 0 HA ARG A 54 6.143 9.755 -4.377 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.595 8.872 -1.926 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.294 9.296 -1.995 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.958 11.189 -2.609 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.920 11.205 -1.144 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.982 11.718 -2.579 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.925 11.854 -3.971 1.00 12.20 H new ATOM 0 HE ARG A 54 4.721 13.450 -1.978 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.876 13.367 -3.666 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.081 15.116 -3.527 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.997 15.702 -1.922 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.482 16.416 -2.560 1.00 23.38 H new ATOM 871 N THR A 55 6.798 7.161 -3.618 1.00 9.05 N ATOM 872 CA THR A 55 7.239 5.786 -3.861 1.00 9.03 C ATOM 873 C THR A 55 7.652 5.116 -2.577 1.00 8.15 C ATOM 874 O THR A 55 7.931 5.782 -1.587 1.00 5.91 O ATOM 875 CB THR A 55 8.497 5.744 -4.706 1.00 11.15 C ATOM 876 OG1 THR A 55 9.532 6.557 -4.182 1.00 11.95 O ATOM 877 CG2 THR A 55 8.250 6.132 -6.111 1.00 11.71 C ATOM 0 H THR A 55 7.436 7.700 -3.033 1.00 9.05 H new ATOM 0 HA THR A 55 6.395 5.296 -4.346 1.00 9.03 H new ATOM 0 HB THR A 55 8.818 4.703 -4.678 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.372 6.053 -4.176 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.184 6.085 -6.671 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.526 5.449 -6.555 1.00 11.71 H new ATOM 0 HG23 THR A 55 7.858 7.149 -6.144 1.00 11.71 H new ATOM 885 N LEU A 56 7.768 3.744 -2.633 1.00 6.91 N ATOM 886 CA LEU A 56 8.336 2.840 -1.633 1.00 8.29 C ATOM 887 C LEU A 56 9.778 3.185 -1.247 1.00 8.05 C ATOM 888 O LEU A 56 10.077 3.112 -0.061 1.00 10.17 O ATOM 889 CB LEU A 56 8.265 1.426 -2.088 1.00 6.60 C ATOM 890 CG LEU A 56 6.853 0.689 -2.198 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.000 -0.711 -2.672 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.098 0.677 -0.919 1.00 8.64 C ATOM 0 H LEU A 56 7.435 3.230 -3.448 1.00 6.91 H new ATOM 0 HA LEU A 56 7.725 2.970 -0.740 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.732 1.379 -3.072 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.885 0.837 -1.412 1.00 6.60 H new ATOM 0 HG LEU A 56 6.287 1.271 -2.925 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.018 -1.179 -2.734 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.466 -0.715 -3.657 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.624 -1.268 -1.973 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.148 0.162 -1.062 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.681 0.159 -0.157 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.910 1.702 -0.598 1.00 8.64 H new ATOM 904 N SER A 57 10.658 3.557 -2.276 1.00 8.92 N ATOM 905 CA SER A 57 11.971 4.185 -1.938 1.00 9.00 C ATOM 906 C SER A 57 12.016 5.446 -1.080 1.00 9.44 C ATOM 907 O SER A 57 12.872 5.553 -0.183 1.00 10.91 O ATOM 908 CB SER A 57 12.848 4.487 -3.176 1.00 10.32 C ATOM 909 OG SER A 57 12.146 5.325 -4.048 1.00 13.59 O ATOM 0 H SER A 57 10.477 3.434 -3.272 1.00 8.92 H new ATOM 0 HA SER A 57 12.351 3.376 -1.314 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.780 4.962 -2.869 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.115 3.559 -3.682 1.00 10.32 H new ATOM 0 HG SER A 57 12.700 5.519 -4.832 1.00 13.59 H new ATOM 915 N ASP A 58 11.100 6.447 -1.313 1.00 9.11 N ATOM 916 CA ASP A 58 11.244 7.762 -0.678 1.00 7.91 C ATOM 917 C ASP A 58 10.711 7.601 0.762 1.00 9.12 C ATOM 918 O ASP A 58 11.150 8.282 1.698 1.00 8.61 O ATOM 919 CB ASP A 58 10.464 8.869 -1.552 1.00 8.41 C ATOM 920 CG ASP A 58 11.002 10.226 -1.185 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.142 10.675 -1.482 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.121 10.901 -0.625 1.00 11.70 O ATOM 0 H ASP A 58 10.286 6.352 -1.920 1.00 9.11 H new ATOM 0 HA ASP A 58 12.276 8.111 -0.631 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.604 8.680 -2.616 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.393 8.820 -1.358 1.00 8.41 H new ATOM 927 N TYR A 59 9.808 6.707 0.981 1.00 7.97 N ATOM 928 CA TYR A 59 9.303 6.387 2.361 1.00 8.45 C ATOM 929 C TYR A 59 10.194 5.380 3.113 1.00 10.98 C ATOM 930 O TYR A 59 9.974 5.129 4.283 1.00 12.95 O ATOM 931 CB TYR A 59 7.861 5.763 2.367 1.00 7.94 C ATOM 932 CG TYR A 59 6.839 6.819 1.969 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.673 7.900 2.914 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.989 6.736 0.846 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.737 8.896 2.691 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.017 7.753 0.692 1.00 6.52 C ATOM 937 CZ TYR A 59 4.919 8.875 1.536 1.00 6.76 C ATOM 938 OH TYR A 59 3.967 9.889 1.250 1.00 7.63 O ATOM 0 H TYR A 59 9.372 6.155 0.242 1.00 7.97 H new ATOM 0 HA TYR A 59 9.307 7.359 2.855 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.816 4.922 1.675 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.628 5.374 3.358 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.285 7.931 3.803 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.077 5.929 0.133 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.630 9.698 3.406 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.310 7.663 -0.120 1.00 6.52 H new ATOM 0 HH TYR A 59 4.433 10.718 1.014 1.00 7.63 H new ATOM 948 N ASN A 60 11.161 4.820 2.378 1.00 12.38 N ATOM 949 CA ASN A 60 12.265 4.054 2.902 1.00 13.94 C ATOM 950 C ASN A 60 11.724 2.613 3.295 1.00 14.16 C ATOM 951 O ASN A 60 12.243 1.977 4.189 1.00 14.26 O ATOM 952 CB ASN A 60 12.993 4.685 4.135 1.00 19.23 C ATOM 953 CG ASN A 60 13.611 6.088 3.867 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.263 6.177 2.819 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.248 7.112 4.647 1.00 24.09 N ATOM 0 H ASN A 60 11.184 4.899 1.361 1.00 12.38 H new ATOM 0 HA ASN A 60 13.017 4.022 2.113 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.284 4.765 4.959 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.784 4.009 4.460 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.510 8.064 4.393 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.709 6.941 5.496 1.00 24.09 H new ATOM 962 N ILE A 61 10.861 2.037 2.513 1.00 11.08 N ATOM 963 CA ILE A 61 10.398 0.731 2.818 1.00 11.78 C ATOM 964 C ILE A 61 11.329 -0.361 2.283 1.00 13.74 C ATOM 965 O ILE A 61 11.488 -0.383 1.048 1.00 14.60 O ATOM 966 CB ILE A 61 8.988 0.520 2.305 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.997 1.364 3.167 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.532 -0.930 2.451 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.633 1.576 2.529 1.00 11.42 C ATOM 0 H ILE A 61 10.470 2.452 1.667 1.00 11.08 H new ATOM 0 HA ILE A 61 10.394 0.649 3.905 1.00 11.78 H new ATOM 0 HB ILE A 61 8.991 0.808 1.254 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.862 0.871 4.130 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.446 2.337 3.367 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.516 -1.032 2.070 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.199 -1.580 1.884 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.555 -1.215 3.503 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.009 2.172 3.195 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.753 2.098 1.580 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.159 0.610 2.354 1.00 11.42 H new ATOM 981 N GLN A 62 11.885 -1.250 3.095 1.00 13.97 N ATOM 982 CA GLN A 62 12.684 -2.353 2.625 1.00 15.52 C ATOM 983 C GLN A 62 11.874 -3.697 2.609 1.00 13.94 C ATOM 984 O GLN A 62 10.810 -3.816 3.233 1.00 12.15 O ATOM 985 CB GLN A 62 14.023 -2.581 3.415 1.00 19.53 C ATOM 986 CG GLN A 62 15.007 -1.386 3.350 1.00 26.38 C ATOM 987 CD GLN A 62 16.419 -1.714 3.905 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.695 -2.863 4.180 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.339 -0.718 3.942 1.00 32.71 N ATOM 0 H GLN A 62 11.787 -1.217 4.110 1.00 13.97 H new ATOM 0 HA GLN A 62 12.955 -2.061 1.610 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.786 -2.786 4.459 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.519 -3.468 3.020 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.100 -1.058 2.315 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.589 -0.551 3.913 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.068 0.236 3.704 1.00 32.71 H new ATOM 0 HE22 GLN A 62 18.302 -0.923 4.208 1.00 32.71 H new ATOM 998 N LYS A 63 12.350 -4.658 1.855 1.00 11.73 N ATOM 999 CA LYS A 63 11.982 -6.010 1.796 1.00 11.97 C ATOM 1000 C LYS A 63 11.533 -6.737 3.088 1.00 10.41 C ATOM 1001 O LYS A 63 11.997 -6.449 4.152 1.00 9.59 O ATOM 1002 CB LYS A 63 13.004 -6.763 1.034 1.00 13.73 C ATOM 1003 CG LYS A 63 14.240 -7.106 1.864 1.00 16.98 C ATOM 1004 CD LYS A 63 15.586 -7.618 1.276 1.00 20.19 C ATOM 1005 CE LYS A 63 16.115 -6.577 0.290 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.453 -6.889 -0.301 1.00 25.97 N ATOM 0 H LYS A 63 13.100 -4.460 1.192 1.00 11.73 H new ATOM 0 HA LYS A 63 11.025 -5.990 1.274 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.561 -7.684 0.656 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.308 -6.176 0.167 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.482 -6.207 2.430 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.920 -7.859 2.584 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.309 -7.784 2.075 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.440 -8.575 0.774 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.394 -6.466 -0.520 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.174 -5.614 0.798 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.729 -6.129 -0.955 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.159 -6.965 0.459 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.403 -7.790 -0.818 1.00 25.97 H new ATOM 1020 N GLU A 64 10.493 -7.568 2.900 1.00 10.04 N ATOM 1021 CA GLU A 64 9.751 -8.275 3.953 1.00 10.94 C ATOM 1022 C GLU A 64 9.175 -7.339 4.962 1.00 9.74 C ATOM 1023 O GLU A 64 9.112 -7.598 6.162 1.00 9.42 O ATOM 1024 CB GLU A 64 10.637 -9.340 4.674 1.00 18.31 C ATOM 1025 CG GLU A 64 11.267 -10.394 3.632 1.00 24.16 C ATOM 1026 CD GLU A 64 12.204 -11.481 4.158 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.816 -12.226 5.081 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.363 -11.521 3.705 1.00 32.61 O ATOM 0 H GLU A 64 10.133 -7.773 1.968 1.00 10.04 H new ATOM 0 HA GLU A 64 8.930 -8.785 3.449 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.440 -8.839 5.216 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.038 -9.872 5.413 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.440 -10.889 3.123 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.811 -9.826 2.877 1.00 24.16 H new ATOM 1035 N SER A 65 8.709 -6.126 4.554 1.00 6.85 N ATOM 1036 CA SER A 65 8.020 -5.083 5.368 1.00 6.90 C ATOM 1037 C SER A 65 6.564 -5.306 5.332 1.00 4.72 C ATOM 1038 O SER A 65 5.970 -5.813 4.384 1.00 3.91 O ATOM 1039 CB SER A 65 8.160 -3.605 4.828 1.00 7.28 C ATOM 1040 OG SER A 65 9.434 -3.109 5.277 1.00 10.56 O ATOM 0 H SER A 65 8.811 -5.831 3.583 1.00 6.85 H new ATOM 0 HA SER A 65 8.490 -5.174 6.347 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.101 -3.585 3.740 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.350 -2.980 5.203 1.00 7.28 H new ATOM 0 HG SER A 65 10.095 -3.210 4.561 1.00 10.56 H new ATOM 1046 N THR A 66 5.840 -4.851 6.329 1.00 4.48 N ATOM 1047 CA THR A 66 4.458 -5.128 6.635 1.00 3.80 C ATOM 1048 C THR A 66 3.690 -3.809 6.472 1.00 4.60 C ATOM 1049 O THR A 66 3.984 -2.836 7.149 1.00 5.33 O ATOM 1050 CB THR A 66 4.129 -5.637 8.027 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.032 -6.670 8.341 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.695 -6.214 8.119 1.00 3.40 C ATOM 0 H THR A 66 6.247 -4.214 7.013 1.00 4.48 H new ATOM 0 HA THR A 66 4.185 -5.938 5.958 1.00 3.80 H new ATOM 0 HB THR A 66 4.203 -4.797 8.718 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.838 -7.013 9.238 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.508 -6.565 9.134 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.973 -5.438 7.865 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.592 -7.046 7.423 1.00 3.40 H new ATOM 1060 N LEU A 67 2.661 -3.677 5.599 1.00 4.17 N ATOM 1061 CA LEU A 67 1.948 -2.450 5.374 1.00 3.85 C ATOM 1062 C LEU A 67 0.535 -2.585 5.917 1.00 3.80 C ATOM 1063 O LEU A 67 -0.060 -3.661 5.868 1.00 5.54 O ATOM 1064 CB LEU A 67 1.891 -2.069 3.842 1.00 7.18 C ATOM 1065 CG LEU A 67 3.204 -1.442 3.383 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.343 -2.464 3.266 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.954 -0.661 2.004 1.00 11.66 C ATOM 0 H LEU A 67 2.317 -4.452 5.033 1.00 4.17 H new ATOM 0 HA LEU A 67 2.481 -1.653 5.892 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.683 -2.960 3.250 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.071 -1.372 3.668 1.00 7.18 H new ATOM 0 HG LEU A 67 3.533 -0.735 4.144 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.251 -1.960 2.936 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.517 -2.927 4.237 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.070 -3.232 2.542 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.887 -0.209 1.667 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.597 -1.361 1.249 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.208 0.119 2.158 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.021 -1.554 6.529 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.288 -1.584 7.239 1.00 4.17 C ATOM 1081 C HIS A 68 -2.354 -1.035 6.242 1.00 5.32 C ATOM 1082 O HIS A 68 -2.283 0.107 5.766 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.324 -0.740 8.505 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.204 -1.187 9.380 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.999 -0.608 9.574 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.103 -2.383 10.030 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.787 -1.462 10.244 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.116 -2.525 10.597 1.00 16.30 N ATOM 0 H HIS A 68 0.417 -0.633 6.545 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.470 -2.608 7.566 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.221 0.318 8.262 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.279 -0.858 9.016 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.892 -3.118 10.084 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.831 -1.294 10.461 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.442 -3.298 11.177 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.424 -1.768 5.897 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.403 -1.335 4.859 1.00 3.97 C ATOM 1098 C LEU A 69 -5.684 -0.906 5.489 1.00 5.07 C ATOM 1099 O LEU A 69 -6.409 -1.620 6.207 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.744 -2.491 3.809 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.892 -2.199 2.783 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.499 -1.085 1.824 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.159 -3.502 2.092 1.00 9.96 C ATOM 0 H LEU A 69 -3.644 -2.671 6.319 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.928 -0.507 4.332 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.837 -2.719 3.248 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.008 -3.389 4.367 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.798 -1.838 3.270 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.314 -0.904 1.123 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.296 -0.175 2.388 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.605 -1.378 1.273 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.954 -3.369 1.359 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.253 -3.839 1.588 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.464 -4.247 2.826 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.024 0.335 5.183 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.272 0.964 5.639 1.00 6.26 C ATOM 1117 C VAL A 70 -8.016 1.596 4.520 1.00 9.22 C ATOM 1118 O VAL A 70 -7.389 2.035 3.553 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.178 2.039 6.741 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.077 1.335 8.126 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.940 2.985 6.543 1.00 8.54 C ATOM 0 H VAL A 70 -5.444 0.946 4.608 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.779 0.102 6.072 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.074 2.657 6.686 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.010 2.087 8.912 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.962 0.720 8.287 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -6.188 0.705 8.150 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.916 3.725 7.343 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.024 2.395 6.567 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.020 3.492 5.582 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.367 1.536 4.528 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.212 2.117 3.474 1.00 16.06 C ATOM 1133 C LEU A 71 -10.797 3.439 3.900 1.00 18.09 C ATOM 1134 O LEU A 71 -11.269 3.579 5.009 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.255 1.085 2.845 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.631 -0.230 2.332 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.672 -1.273 1.862 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.552 -0.023 1.281 1.00 19.57 C ATOM 0 H LEU A 71 -9.898 1.081 5.270 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.561 2.346 2.630 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.007 0.845 3.597 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.774 1.572 2.019 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.142 -0.647 3.213 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.158 -2.170 1.516 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.330 -1.530 2.692 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.263 -0.856 1.046 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.159 -0.990 0.967 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.977 0.493 0.420 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.745 0.577 1.701 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.748 4.432 3.007 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.353 5.730 3.200 1.00 25.83 C ATOM 1152 C ARG A 72 -12.840 5.635 3.350 1.00 27.74 C ATOM 1153 O ARG A 72 -13.424 4.755 2.701 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.978 6.567 1.993 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.155 8.096 2.219 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.572 8.972 1.122 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.915 10.441 1.469 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.600 11.493 0.720 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.037 11.412 -0.477 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.768 12.673 1.218 1.00 35.02 N ATOM 0 H ARG A 72 -10.271 4.341 2.110 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.990 6.185 4.122 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.940 6.365 1.729 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.589 6.260 1.144 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.219 8.315 2.313 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.689 8.366 3.167 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.493 8.836 1.055 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.988 8.700 0.152 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.421 10.615 2.338 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.819 10.500 -0.877 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.822 12.262 -0.998 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.134 12.780 2.164 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.534 13.498 0.665 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.431 6.482 4.095 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.818 6.474 4.337 1.00 30.76 C ATOM 1176 C LEU A 73 -15.204 7.985 4.514 1.00 32.18 C ATOM 1177 O LEU A 73 -14.366 8.848 4.584 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.170 5.541 5.530 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.646 5.103 5.709 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.271 4.530 4.388 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.809 3.941 6.765 1.00 29.11 C ATOM 0 H LEU A 73 -12.939 7.235 4.576 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.407 6.051 3.523 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.565 4.639 5.437 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.858 6.041 6.447 1.00 30.53 H new ATOM 0 HG LEU A 73 -17.149 6.015 6.030 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.305 4.239 4.571 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.241 5.293 3.610 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.701 3.659 4.064 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.862 3.673 6.851 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.239 3.071 6.440 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.439 4.276 7.734 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.519 8.260 4.601 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.129 9.554 4.713 1.00 35.33 C ATOM 1195 C ARG A 74 -16.903 10.254 5.980 1.00 36.22 C ATOM 1196 O ARG A 74 -16.758 9.694 7.090 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.655 9.526 4.350 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.933 8.939 2.951 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.664 9.981 1.867 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.847 9.319 0.551 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.614 9.860 -0.675 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.185 11.087 -0.811 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.955 9.190 -1.788 1.00 41.93 N ATOM 0 H ARG A 74 -17.214 7.514 4.592 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.601 10.148 3.967 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.189 8.939 5.097 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.052 10.540 4.398 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.304 8.064 2.786 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.968 8.603 2.891 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.347 10.825 1.969 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.652 10.377 1.959 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.183 8.356 0.568 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.017 11.663 0.014 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -18.018 11.469 -1.742 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -19.391 8.271 -1.716 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -18.778 9.601 -2.705 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.760 11.619 5.889 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.361 12.526 6.883 1.00 36.07 C ATOM 1219 C GLY A 75 -14.924 12.884 6.783 1.00 36.16 C ATOM 1220 O GLY A 75 -14.292 13.395 7.735 1.00 36.26 O ATOM 0 H GLY A 75 -16.954 12.100 5.010 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.964 13.431 6.807 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.557 12.094 7.864 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.336 12.620 5.656 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.007 13.042 5.453 1.00 36.19 C ATOM 1226 C GLY A 76 -12.558 12.856 4.026 1.00 36.20 C ATOM 1227 O GLY A 76 -11.367 12.592 3.820 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.337 13.092 3.093 1.00 0.00 O ATOM 0 H GLY A 76 -14.761 12.118 4.876 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.917 14.093 5.726 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.346 12.483 6.115 1.00 36.19 H new TER 1232 GLY A 76