USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 805 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 96 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 99 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-2.2) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 145:sc= 1.79 (180deg=1.2) USER MOD Set 2.2: A 91 SER OG : rot -179:sc= 0.47 USER MOD Set 3.1: A 72 ASN :FLIP amide:sc= -1.55 F(o=-4,f=-2.8) USER MOD Set 3.2: A 87 GLN :FLIP amide:sc= -1.21 F(o=-6.1,f=-2.8) USER MOD Set 4.1: A 6 CYS SG : rot 14:sc= 0.342 USER MOD Set 4.2: A 26 GLN :FLIP amide:sc= 1.02 F(o=-0.15,f=1.4) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.0069) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 40 ASN : amide:sc= 0.402 K(o=0.4,f=-2.4!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= -0.0117 (180deg=-0.351) USER MOD Single : A 59 GLN : amide:sc= -2.09 K(o=-2.1,f=-7.6!) USER MOD Single : A 62 SER OG : rot -153:sc= 0.421 USER MOD Single : A 84 TYR OH : rot 30:sc= -3.03! USER MOD Single : A 85 GLN :FLIP amide:sc= -1.64! C(o=-3.9!,f=-1.6!) USER MOD Single : A 89 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.18) USER MOD Single : A 97 THR OG1 : rot -45:sc= 0.0749 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.653 -8.326 8.836 1.00 5.35 N ATOM 2 CA SER A 1 13.979 -7.676 8.887 1.00 4.89 C ATOM 3 C SER A 1 14.584 -7.594 7.487 1.00 4.07 C ATOM 4 O SER A 1 14.892 -8.615 6.872 1.00 4.19 O ATOM 5 CB SER A 1 14.905 -8.467 9.821 1.00 5.38 C ATOM 6 OG SER A 1 16.109 -7.765 10.101 1.00 5.96 O ATOM 0 H1 SER A 1 12.253 -8.375 9.795 1.00 5.35 H new ATOM 0 H2 SER A 1 12.019 -7.773 8.224 1.00 5.35 H new ATOM 0 H3 SER A 1 12.752 -9.288 8.453 1.00 5.35 H new ATOM 0 HA SER A 1 13.864 -6.663 9.272 1.00 4.89 H new ATOM 0 HB2 SER A 1 14.383 -8.678 10.755 1.00 5.38 H new ATOM 0 HB3 SER A 1 15.144 -9.428 9.365 1.00 5.38 H new ATOM 0 HG SER A 1 16.669 -8.302 10.700 1.00 5.96 H new ATOM 14 N ALA A 2 14.730 -6.381 6.971 1.00 3.54 N ATOM 15 CA ALA A 2 15.404 -6.180 5.696 1.00 2.75 C ATOM 16 C ALA A 2 16.787 -5.603 5.936 1.00 2.55 C ATOM 17 O ALA A 2 16.944 -4.692 6.750 1.00 2.81 O ATOM 18 CB ALA A 2 14.600 -5.264 4.780 1.00 2.31 C ATOM 0 H ALA A 2 14.393 -5.526 7.413 1.00 3.54 H new ATOM 0 HA ALA A 2 15.494 -7.146 5.200 1.00 2.75 H new ATOM 0 HB1 ALA A 2 15.131 -5.135 3.837 1.00 2.31 H new ATOM 0 HB2 ALA A 2 13.623 -5.708 4.588 1.00 2.31 H new ATOM 0 HB3 ALA A 2 14.470 -4.294 5.259 1.00 2.31 H new ATOM 24 N ALA A 3 17.782 -6.142 5.246 1.00 2.36 N ATOM 25 CA ALA A 3 19.157 -5.677 5.402 1.00 2.24 C ATOM 26 C ALA A 3 19.288 -4.195 5.029 1.00 1.58 C ATOM 27 O ALA A 3 19.804 -3.406 5.821 1.00 2.00 O ATOM 28 CB ALA A 3 20.117 -6.538 4.590 1.00 2.41 C ATOM 0 H ALA A 3 17.666 -6.900 4.574 1.00 2.36 H new ATOM 0 HA ALA A 3 19.427 -5.775 6.453 1.00 2.24 H new ATOM 0 HB1 ALA A 3 21.135 -6.172 4.722 1.00 2.41 H new ATOM 0 HB2 ALA A 3 20.056 -7.572 4.931 1.00 2.41 H new ATOM 0 HB3 ALA A 3 19.848 -6.487 3.535 1.00 2.41 H new ATOM 34 N PRO A 4 18.816 -3.779 3.829 1.00 0.85 N ATOM 35 CA PRO A 4 18.846 -2.370 3.436 1.00 0.76 C ATOM 36 C PRO A 4 17.850 -1.530 4.236 1.00 0.79 C ATOM 37 O PRO A 4 18.228 -0.776 5.132 1.00 1.23 O ATOM 38 CB PRO A 4 18.455 -2.400 1.957 1.00 1.00 C ATOM 39 CG PRO A 4 17.636 -3.633 1.817 1.00 1.18 C ATOM 40 CD PRO A 4 18.240 -4.627 2.765 1.00 1.10 C ATOM 0 HA PRO A 4 19.819 -1.915 3.619 1.00 0.76 H new ATOM 0 HB2 PRO A 4 17.888 -1.512 1.678 1.00 1.00 H new ATOM 0 HB3 PRO A 4 19.334 -2.432 1.314 1.00 1.00 H new ATOM 0 HG2 PRO A 4 16.592 -3.440 2.064 1.00 1.18 H new ATOM 0 HG3 PRO A 4 17.658 -4.004 0.792 1.00 1.18 H new ATOM 0 HD2 PRO A 4 17.490 -5.313 3.160 1.00 1.10 H new ATOM 0 HD3 PRO A 4 19.003 -5.234 2.278 1.00 1.10 H new ATOM 48 N LEU A 5 16.578 -1.687 3.912 1.00 0.43 N ATOM 49 CA LEU A 5 15.502 -0.954 4.557 1.00 0.45 C ATOM 50 C LEU A 5 14.228 -1.772 4.457 1.00 0.37 C ATOM 51 O LEU A 5 14.056 -2.541 3.514 1.00 0.42 O ATOM 52 CB LEU A 5 15.291 0.419 3.899 1.00 0.52 C ATOM 53 CG LEU A 5 14.751 0.382 2.464 1.00 0.60 C ATOM 54 CD1 LEU A 5 14.337 1.764 2.004 1.00 1.28 C ATOM 55 CD2 LEU A 5 15.785 -0.191 1.517 1.00 1.27 C ATOM 0 H LEU A 5 16.260 -2.332 3.188 1.00 0.43 H new ATOM 0 HA LEU A 5 15.765 -0.787 5.601 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.601 0.996 4.514 1.00 0.52 H new ATOM 0 HB3 LEU A 5 16.241 0.953 3.898 1.00 0.52 H new ATOM 0 HG LEU A 5 13.872 -0.263 2.456 1.00 0.60 H new ATOM 0 HD11 LEU A 5 13.958 1.709 0.984 1.00 1.28 H new ATOM 0 HD12 LEU A 5 13.556 2.148 2.661 1.00 1.28 H new ATOM 0 HD13 LEU A 5 15.198 2.431 2.036 1.00 1.28 H new ATOM 0 HD21 LEU A 5 15.381 -0.208 0.505 1.00 1.27 H new ATOM 0 HD22 LEU A 5 16.682 0.428 1.540 1.00 1.27 H new ATOM 0 HD23 LEU A 5 16.037 -1.206 1.824 1.00 1.27 H new ATOM 67 N CYS A 6 13.344 -1.626 5.420 1.00 0.34 N ATOM 68 CA CYS A 6 12.110 -2.383 5.417 1.00 0.31 C ATOM 69 C CYS A 6 10.924 -1.466 5.666 1.00 0.24 C ATOM 70 O CYS A 6 11.033 -0.488 6.411 1.00 0.27 O ATOM 71 CB CYS A 6 12.188 -3.478 6.473 1.00 0.40 C ATOM 72 SG CYS A 6 10.780 -4.612 6.487 1.00 1.35 S ATOM 0 H CYS A 6 13.455 -0.993 6.212 1.00 0.34 H new ATOM 0 HA CYS A 6 11.970 -2.846 4.440 1.00 0.31 H new ATOM 0 HB2 CYS A 6 13.100 -4.054 6.314 1.00 0.40 H new ATOM 0 HB3 CYS A 6 12.272 -3.012 7.455 1.00 0.40 H new ATOM 0 HG CYS A 6 10.086 -4.456 5.399 1.00 1.35 H new ATOM 78 N VAL A 7 9.802 -1.778 5.032 1.00 0.24 N ATOM 79 CA VAL A 7 8.621 -0.935 5.110 1.00 0.25 C ATOM 80 C VAL A 7 7.425 -1.722 5.636 1.00 0.25 C ATOM 81 O VAL A 7 7.434 -2.955 5.646 1.00 0.31 O ATOM 82 CB VAL A 7 8.272 -0.330 3.730 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.439 0.474 3.183 1.00 0.64 C ATOM 84 CG2 VAL A 7 7.872 -1.413 2.742 1.00 0.61 C ATOM 0 H VAL A 7 9.687 -2.612 4.456 1.00 0.24 H new ATOM 0 HA VAL A 7 8.848 -0.124 5.802 1.00 0.25 H new ATOM 0 HB VAL A 7 7.422 0.338 3.867 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.171 0.890 2.212 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.677 1.285 3.872 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.308 -0.175 3.072 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.632 -0.958 1.781 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.698 -2.114 2.616 1.00 0.61 H new ATOM 0 HG23 VAL A 7 6.999 -1.945 3.119 1.00 0.61 H new ATOM 94 N LYS A 8 6.404 -1.003 6.074 1.00 0.26 N ATOM 95 CA LYS A 8 5.191 -1.625 6.577 1.00 0.28 C ATOM 96 C LYS A 8 3.994 -1.158 5.769 1.00 0.28 C ATOM 97 O LYS A 8 3.820 0.034 5.548 1.00 0.38 O ATOM 98 CB LYS A 8 4.961 -1.273 8.048 1.00 0.35 C ATOM 99 CG LYS A 8 3.716 -1.927 8.636 1.00 0.61 C ATOM 100 CD LYS A 8 3.145 -1.125 9.794 1.00 0.86 C ATOM 101 CE LYS A 8 2.600 0.216 9.323 1.00 1.08 C ATOM 102 NZ LYS A 8 1.961 0.982 10.426 1.00 1.61 N ATOM 0 H LYS A 8 6.392 0.017 6.091 1.00 0.26 H new ATOM 0 HA LYS A 8 5.307 -2.705 6.484 1.00 0.28 H new ATOM 0 HB2 LYS A 8 5.832 -1.578 8.628 1.00 0.35 H new ATOM 0 HB3 LYS A 8 4.876 -0.191 8.147 1.00 0.35 H new ATOM 0 HG2 LYS A 8 2.959 -2.030 7.858 1.00 0.61 H new ATOM 0 HG3 LYS A 8 3.962 -2.933 8.978 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.350 -1.694 10.276 1.00 0.86 H new ATOM 0 HD3 LYS A 8 3.920 -0.962 10.543 1.00 0.86 H new ATOM 0 HE2 LYS A 8 3.411 0.806 8.896 1.00 1.08 H new ATOM 0 HE3 LYS A 8 1.872 0.052 8.528 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 2.136 1.998 10.290 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 0.936 0.804 10.424 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 2.363 0.681 11.336 1.00 1.61 H new ATOM 116 N VAL A 9 3.179 -2.094 5.331 1.00 0.25 N ATOM 117 CA VAL A 9 1.929 -1.765 4.676 1.00 0.26 C ATOM 118 C VAL A 9 0.780 -2.138 5.598 1.00 0.23 C ATOM 119 O VAL A 9 0.743 -3.246 6.113 1.00 0.27 O ATOM 120 CB VAL A 9 1.774 -2.509 3.338 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.454 -2.145 2.686 1.00 0.89 C ATOM 122 CG2 VAL A 9 2.942 -2.200 2.410 1.00 0.77 C ATOM 0 H VAL A 9 3.360 -3.094 5.417 1.00 0.25 H new ATOM 0 HA VAL A 9 1.922 -0.696 4.464 1.00 0.26 H new ATOM 0 HB VAL A 9 1.777 -3.581 3.534 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.356 -2.678 1.740 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.367 -2.424 3.346 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.423 -1.071 2.502 1.00 0.89 H new ATOM 0 HG21 VAL A 9 2.812 -2.736 1.470 1.00 0.77 H new ATOM 0 HG22 VAL A 9 2.977 -1.128 2.214 1.00 0.77 H new ATOM 0 HG23 VAL A 9 3.874 -2.514 2.881 1.00 0.77 H new ATOM 132 N GLU A 10 -0.139 -1.221 5.834 1.00 0.21 N ATOM 133 CA GLU A 10 -1.213 -1.481 6.778 1.00 0.23 C ATOM 134 C GLU A 10 -2.519 -0.837 6.319 1.00 0.25 C ATOM 135 O GLU A 10 -2.518 0.053 5.467 1.00 0.26 O ATOM 136 CB GLU A 10 -0.793 -0.978 8.166 1.00 0.28 C ATOM 137 CG GLU A 10 -1.717 -1.386 9.302 1.00 0.37 C ATOM 138 CD GLU A 10 -1.086 -1.161 10.661 1.00 0.48 C ATOM 139 OE1 GLU A 10 -0.473 -0.094 10.868 1.00 1.08 O ATOM 140 OE2 GLU A 10 -1.222 -2.043 11.538 1.00 0.99 O ATOM 0 H GLU A 10 -0.166 -0.302 5.393 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.395 -2.554 6.831 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.209 -1.347 8.382 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.733 0.110 8.139 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.645 -0.818 9.235 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -1.979 -2.439 9.195 1.00 0.37 H new ATOM 147 N PHE A 11 -3.631 -1.310 6.872 1.00 0.30 N ATOM 148 CA PHE A 11 -4.951 -0.792 6.532 1.00 0.34 C ATOM 149 C PHE A 11 -5.579 -0.092 7.731 1.00 0.34 C ATOM 150 O PHE A 11 -5.463 -0.563 8.860 1.00 0.74 O ATOM 151 CB PHE A 11 -5.849 -1.928 6.058 1.00 0.74 C ATOM 152 CG PHE A 11 -5.265 -2.686 4.905 1.00 2.12 C ATOM 153 CD1 PHE A 11 -5.143 -2.091 3.662 1.00 2.89 C ATOM 154 CD2 PHE A 11 -4.859 -3.999 5.061 1.00 2.77 C ATOM 155 CE1 PHE A 11 -4.627 -2.794 2.595 1.00 4.21 C ATOM 156 CE2 PHE A 11 -4.339 -4.705 3.996 1.00 4.09 C ATOM 157 CZ PHE A 11 -4.143 -4.072 2.784 1.00 4.80 C ATOM 0 H PHE A 11 -3.643 -2.059 7.564 1.00 0.30 H new ATOM 0 HA PHE A 11 -4.842 -0.064 5.728 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -6.027 -2.614 6.886 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -6.818 -1.522 5.767 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.455 -1.066 3.527 1.00 2.89 H new ATOM 0 HD2 PHE A 11 -4.950 -4.476 6.026 1.00 2.77 H new ATOM 0 HE1 PHE A 11 -4.602 -2.345 1.613 1.00 4.21 H new ATOM 0 HE2 PHE A 11 -4.086 -5.749 4.109 1.00 4.09 H new ATOM 0 HZ PHE A 11 -3.614 -4.575 1.988 1.00 4.80 H new ATOM 167 N GLY A 12 -6.237 1.036 7.481 1.00 0.23 N ATOM 168 CA GLY A 12 -6.792 1.823 8.569 1.00 0.39 C ATOM 169 C GLY A 12 -8.205 2.316 8.303 1.00 0.28 C ATOM 170 O GLY A 12 -9.050 2.282 9.195 1.00 0.34 O ATOM 0 H GLY A 12 -6.396 1.418 6.549 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.791 1.222 9.479 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -6.145 2.681 8.753 1.00 0.39 H new ATOM 174 N GLY A 13 -8.462 2.768 7.075 1.00 0.24 N ATOM 175 CA GLY A 13 -9.773 3.314 6.731 1.00 0.26 C ATOM 176 C GLY A 13 -10.830 2.240 6.558 1.00 0.29 C ATOM 177 O GLY A 13 -11.524 2.211 5.543 1.00 0.45 O ATOM 0 H GLY A 13 -7.787 2.767 6.310 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -10.089 4.006 7.511 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -9.691 3.889 5.809 1.00 0.26 H new ATOM 181 N GLY A 14 -10.941 1.347 7.535 1.00 0.28 N ATOM 182 CA GLY A 14 -11.859 0.225 7.433 1.00 0.35 C ATOM 183 C GLY A 14 -11.515 -0.680 6.267 1.00 0.36 C ATOM 184 O GLY A 14 -12.299 -1.544 5.884 1.00 0.41 O ATOM 0 H GLY A 14 -10.407 1.380 8.403 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.834 -0.350 8.359 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.877 0.598 7.316 1.00 0.35 H new ATOM 188 N ALA A 15 -10.322 -0.484 5.713 1.00 0.35 N ATOM 189 CA ALA A 15 -9.894 -1.198 4.524 1.00 0.39 C ATOM 190 C ALA A 15 -9.675 -2.671 4.828 1.00 0.39 C ATOM 191 O ALA A 15 -9.880 -3.523 3.974 1.00 0.42 O ATOM 192 CB ALA A 15 -8.625 -0.562 3.969 1.00 0.44 C ATOM 0 H ALA A 15 -9.631 0.172 6.077 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.678 -1.129 3.770 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -8.308 -1.102 3.077 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.822 0.479 3.713 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.836 -0.608 4.720 1.00 0.44 H new ATOM 198 N GLU A 16 -9.295 -2.959 6.068 1.00 0.38 N ATOM 199 CA GLU A 16 -9.017 -4.324 6.508 1.00 0.38 C ATOM 200 C GLU A 16 -10.218 -5.236 6.324 1.00 0.36 C ATOM 201 O GLU A 16 -10.056 -6.433 6.122 1.00 0.37 O ATOM 202 CB GLU A 16 -8.604 -4.328 7.978 1.00 0.45 C ATOM 203 CG GLU A 16 -9.629 -3.632 8.861 1.00 0.57 C ATOM 204 CD GLU A 16 -9.407 -3.841 10.340 1.00 1.19 C ATOM 205 OE1 GLU A 16 -9.265 -4.999 10.769 1.00 1.54 O ATOM 206 OE2 GLU A 16 -9.412 -2.840 11.084 1.00 1.60 O ATOM 0 H GLU A 16 -9.171 -2.256 6.796 1.00 0.38 H new ATOM 0 HA GLU A 16 -8.204 -4.703 5.889 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.474 -5.356 8.315 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.639 -3.833 8.084 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -9.611 -2.563 8.649 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -10.624 -3.992 8.599 1.00 0.57 H new ATOM 213 N LEU A 17 -11.417 -4.677 6.392 1.00 0.35 N ATOM 214 CA LEU A 17 -12.629 -5.471 6.249 1.00 0.37 C ATOM 215 C LEU A 17 -12.717 -6.065 4.846 1.00 0.36 C ATOM 216 O LEU A 17 -13.442 -7.030 4.614 1.00 0.41 O ATOM 217 CB LEU A 17 -13.866 -4.620 6.546 1.00 0.39 C ATOM 218 CG LEU A 17 -13.920 -4.020 7.954 1.00 0.41 C ATOM 219 CD1 LEU A 17 -15.168 -3.165 8.126 1.00 0.88 C ATOM 220 CD2 LEU A 17 -13.877 -5.120 9.006 1.00 0.83 C ATOM 0 H LEU A 17 -11.577 -3.681 6.545 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.591 -6.289 6.969 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.912 -3.808 5.820 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.754 -5.233 6.395 1.00 0.39 H new ATOM 0 HG LEU A 17 -13.047 -3.382 8.087 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -15.187 -2.748 9.133 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -15.157 -2.354 7.398 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -16.055 -3.780 7.971 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -13.916 -4.675 10.000 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.730 -5.785 8.872 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -12.953 -5.689 8.900 1.00 0.83 H new ATOM 232 N LEU A 18 -11.942 -5.498 3.925 1.00 0.35 N ATOM 233 CA LEU A 18 -11.872 -6.007 2.562 1.00 0.39 C ATOM 234 C LEU A 18 -10.925 -7.195 2.524 1.00 0.42 C ATOM 235 O LEU A 18 -10.927 -7.991 1.585 1.00 0.49 O ATOM 236 CB LEU A 18 -11.361 -4.926 1.603 1.00 0.38 C ATOM 237 CG LEU A 18 -12.125 -3.600 1.625 1.00 0.42 C ATOM 238 CD1 LEU A 18 -11.567 -2.652 0.571 1.00 0.47 C ATOM 239 CD2 LEU A 18 -13.613 -3.824 1.408 1.00 0.49 C ATOM 0 H LEU A 18 -11.353 -4.684 4.100 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.872 -6.307 2.248 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -10.315 -4.725 1.836 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -11.390 -5.324 0.589 1.00 0.38 H new ATOM 0 HG LEU A 18 -11.994 -3.147 2.608 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -12.119 -1.713 0.597 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -10.514 -2.459 0.776 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -11.668 -3.105 -0.415 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -14.132 -2.866 1.428 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -13.772 -4.302 0.441 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -14.004 -4.465 2.198 1.00 0.49 H new ATOM 251 N PHE A 19 -10.111 -7.294 3.565 1.00 0.39 N ATOM 252 CA PHE A 19 -9.077 -8.309 3.653 1.00 0.47 C ATOM 253 C PHE A 19 -9.301 -9.191 4.873 1.00 0.60 C ATOM 254 O PHE A 19 -8.362 -9.792 5.395 1.00 0.97 O ATOM 255 CB PHE A 19 -7.718 -7.623 3.728 1.00 0.45 C ATOM 256 CG PHE A 19 -7.543 -6.577 2.667 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.174 -6.928 1.381 1.00 0.42 C ATOM 258 CD2 PHE A 19 -7.729 -5.243 2.959 1.00 0.71 C ATOM 259 CE1 PHE A 19 -6.996 -5.968 0.407 1.00 0.52 C ATOM 260 CE2 PHE A 19 -7.556 -4.278 1.993 1.00 0.75 C ATOM 261 CZ PHE A 19 -7.256 -4.646 0.697 1.00 0.59 C ATOM 0 H PHE A 19 -10.151 -6.671 4.372 1.00 0.39 H new ATOM 0 HA PHE A 19 -9.113 -8.946 2.769 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.600 -7.164 4.709 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -6.931 -8.371 3.630 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -7.023 -7.969 1.136 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -8.014 -4.951 3.959 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -6.655 -6.251 -0.578 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -7.655 -3.233 2.249 1.00 0.75 H new ATOM 0 HZ PHE A 19 -7.225 -3.902 -0.085 1.00 0.59 H new ATOM 271 N ASP A 20 -10.560 -9.237 5.321 1.00 0.55 N ATOM 272 CA ASP A 20 -11.006 -10.113 6.417 1.00 0.69 C ATOM 273 C ASP A 20 -10.712 -9.513 7.798 1.00 0.72 C ATOM 274 O ASP A 20 -11.310 -9.919 8.796 1.00 1.07 O ATOM 275 CB ASP A 20 -10.391 -11.512 6.294 1.00 0.80 C ATOM 276 CG ASP A 20 -10.926 -12.479 7.328 1.00 1.16 C ATOM 277 OD1 ASP A 20 -12.014 -13.053 7.106 1.00 1.55 O ATOM 278 OD2 ASP A 20 -10.262 -12.655 8.371 1.00 1.28 O ATOM 0 H ASP A 20 -11.308 -8.663 4.931 1.00 0.55 H new ATOM 0 HA ASP A 20 -12.089 -10.202 6.326 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -10.590 -11.906 5.297 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -9.308 -11.439 6.397 1.00 0.80 H new ATOM 283 N GLY A 21 -9.832 -8.523 7.853 1.00 0.57 N ATOM 284 CA GLY A 21 -9.513 -7.899 9.126 1.00 0.59 C ATOM 285 C GLY A 21 -8.024 -7.847 9.426 1.00 0.59 C ATOM 286 O GLY A 21 -7.623 -7.434 10.514 1.00 0.79 O ATOM 0 H GLY A 21 -9.336 -8.142 7.048 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -9.911 -6.884 9.133 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -10.016 -8.445 9.924 1.00 0.59 H new ATOM 290 N VAL A 22 -7.199 -8.276 8.485 1.00 0.51 N ATOM 291 CA VAL A 22 -5.756 -8.169 8.656 1.00 0.53 C ATOM 292 C VAL A 22 -5.269 -6.810 8.157 1.00 0.45 C ATOM 293 O VAL A 22 -5.477 -6.447 6.999 1.00 0.47 O ATOM 294 CB VAL A 22 -4.996 -9.320 7.946 1.00 0.68 C ATOM 295 CG1 VAL A 22 -5.326 -9.375 6.463 1.00 1.02 C ATOM 296 CG2 VAL A 22 -3.494 -9.187 8.160 1.00 1.41 C ATOM 0 H VAL A 22 -7.497 -8.697 7.605 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.541 -8.257 9.721 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.326 -10.258 8.392 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -4.776 -10.193 5.998 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -6.396 -9.538 6.334 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -5.043 -8.434 5.992 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -2.981 -10.004 7.654 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -3.151 -8.236 7.753 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -3.274 -9.226 9.227 1.00 1.41 H new ATOM 306 N LYS A 23 -4.653 -6.046 9.048 1.00 0.48 N ATOM 307 CA LYS A 23 -4.229 -4.694 8.715 1.00 0.52 C ATOM 308 C LYS A 23 -2.749 -4.653 8.353 1.00 0.40 C ATOM 309 O LYS A 23 -2.383 -4.282 7.241 1.00 0.37 O ATOM 310 CB LYS A 23 -4.475 -3.735 9.882 1.00 0.75 C ATOM 311 CG LYS A 23 -5.810 -3.926 10.577 1.00 0.85 C ATOM 312 CD LYS A 23 -6.319 -2.621 11.179 1.00 1.06 C ATOM 313 CE LYS A 23 -5.266 -1.896 12.006 1.00 1.11 C ATOM 314 NZ LYS A 23 -4.933 -2.616 13.263 1.00 2.07 N ATOM 0 H LYS A 23 -4.437 -6.337 10.001 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.821 -4.380 7.855 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -3.677 -3.860 10.614 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -4.413 -2.711 9.514 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -6.541 -4.308 9.864 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -5.709 -4.675 11.362 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -6.658 -1.965 10.377 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -7.185 -2.830 11.807 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -4.361 -1.775 11.410 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -5.625 -0.896 12.248 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -4.212 -2.081 13.789 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -5.789 -2.710 13.846 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -4.565 -3.561 13.034 1.00 2.07 H new ATOM 328 N LYS A 24 -1.908 -5.036 9.306 1.00 0.38 N ATOM 329 CA LYS A 24 -0.466 -4.883 9.180 1.00 0.33 C ATOM 330 C LYS A 24 0.155 -5.982 8.326 1.00 0.34 C ATOM 331 O LYS A 24 0.018 -7.173 8.607 1.00 0.47 O ATOM 332 CB LYS A 24 0.177 -4.865 10.570 1.00 0.43 C ATOM 333 CG LYS A 24 1.659 -4.533 10.564 1.00 0.49 C ATOM 334 CD LYS A 24 2.205 -4.434 11.980 1.00 0.66 C ATOM 335 CE LYS A 24 3.691 -4.115 11.994 1.00 1.04 C ATOM 336 NZ LYS A 24 4.215 -3.988 13.380 1.00 1.59 N ATOM 0 H LYS A 24 -2.206 -5.460 10.185 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.276 -3.936 8.675 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.345 -4.137 11.190 1.00 0.43 H new ATOM 0 HB3 LYS A 24 0.036 -5.840 11.036 1.00 0.43 H new ATOM 0 HG2 LYS A 24 2.204 -5.300 10.014 1.00 0.49 H new ATOM 0 HG3 LYS A 24 1.821 -3.590 10.042 1.00 0.49 H new ATOM 0 HD2 LYS A 24 1.663 -3.661 12.525 1.00 0.66 H new ATOM 0 HD3 LYS A 24 2.031 -5.374 12.503 1.00 0.66 H new ATOM 0 HE2 LYS A 24 4.236 -4.900 11.470 1.00 1.04 H new ATOM 0 HE3 LYS A 24 3.869 -3.186 11.452 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 5.231 -3.770 13.348 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 3.712 -3.222 13.872 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 4.068 -4.882 13.890 1.00 1.59 H new ATOM 350 N HIS A 25 0.835 -5.551 7.280 1.00 0.29 N ATOM 351 CA HIS A 25 1.569 -6.430 6.391 1.00 0.34 C ATOM 352 C HIS A 25 3.013 -5.940 6.284 1.00 0.34 C ATOM 353 O HIS A 25 3.268 -4.848 5.777 1.00 0.43 O ATOM 354 CB HIS A 25 0.898 -6.428 5.011 1.00 0.42 C ATOM 355 CG HIS A 25 1.574 -7.281 3.978 1.00 0.69 C ATOM 356 ND1 HIS A 25 1.075 -8.495 3.564 1.00 1.46 N ATOM 357 CD2 HIS A 25 2.699 -7.075 3.254 1.00 1.39 C ATOM 358 CE1 HIS A 25 1.861 -8.997 2.633 1.00 1.58 C ATOM 359 NE2 HIS A 25 2.856 -8.157 2.425 1.00 1.44 N ATOM 0 H HIS A 25 0.893 -4.566 7.021 1.00 0.29 H new ATOM 0 HA HIS A 25 1.568 -7.448 6.781 1.00 0.34 H new ATOM 0 HB2 HIS A 25 -0.132 -6.767 5.124 1.00 0.42 H new ATOM 0 HB3 HIS A 25 0.858 -5.402 4.644 1.00 0.42 H new ATOM 0 HD2 HIS A 25 3.352 -6.217 3.317 1.00 1.39 H new ATOM 0 HE1 HIS A 25 1.715 -9.939 2.125 1.00 1.58 H new ATOM 0 HE2 HIS A 25 3.616 -8.290 1.758 1.00 1.44 H new ATOM 368 N GLN A 26 3.949 -6.738 6.763 1.00 0.36 N ATOM 369 CA GLN A 26 5.355 -6.363 6.730 1.00 0.38 C ATOM 370 C GLN A 26 6.000 -6.868 5.445 1.00 0.33 C ATOM 371 O GLN A 26 5.714 -7.977 4.994 1.00 0.47 O ATOM 372 CB GLN A 26 6.081 -6.942 7.951 1.00 0.54 C ATOM 373 CG GLN A 26 7.483 -6.387 8.163 1.00 0.67 C ATOM 374 CD GLN A 26 7.488 -4.917 8.551 1.00 1.12 C ATOM 375 OE1 GLN A 26 6.455 -4.481 9.255 1.00 1.84 O flip ATOM 376 NE2 GLN A 26 8.420 -4.180 8.233 1.00 1.59 N flip ATOM 0 H GLN A 26 3.764 -7.650 7.180 1.00 0.36 H new ATOM 0 HA GLN A 26 5.433 -5.276 6.758 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.485 -6.744 8.842 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.143 -8.025 7.843 1.00 0.54 H new ATOM 0 HG2 GLN A 26 7.982 -6.964 8.941 1.00 0.67 H new ATOM 0 HG3 GLN A 26 8.062 -6.518 7.249 1.00 0.67 H new ATOM 0 HE21 GLN A 26 9.200 -4.550 7.690 1.00 1.59 H new ATOM 0 HE22 GLN A 26 8.413 -3.199 8.512 1.00 1.59 H new ATOM 385 N VAL A 27 6.848 -6.048 4.842 1.00 0.29 N ATOM 386 CA VAL A 27 7.554 -6.442 3.633 1.00 0.29 C ATOM 387 C VAL A 27 8.975 -5.876 3.624 1.00 0.28 C ATOM 388 O VAL A 27 9.187 -4.665 3.710 1.00 0.31 O ATOM 389 CB VAL A 27 6.780 -6.018 2.360 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.447 -4.536 2.377 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.561 -6.381 1.106 1.00 0.44 C ATOM 0 H VAL A 27 7.063 -5.107 5.170 1.00 0.29 H new ATOM 0 HA VAL A 27 7.621 -7.530 3.629 1.00 0.29 H new ATOM 0 HB VAL A 27 5.839 -6.567 2.350 1.00 0.35 H new ATOM 0 HG11 VAL A 27 5.904 -4.275 1.469 1.00 0.44 H new ATOM 0 HG12 VAL A 27 5.829 -4.312 3.246 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.369 -3.957 2.428 1.00 0.44 H new ATOM 0 HG21 VAL A 27 6.998 -6.074 0.225 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.524 -5.871 1.117 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.721 -7.459 1.076 1.00 0.44 H new ATOM 401 N ALA A 28 9.945 -6.774 3.549 1.00 0.31 N ATOM 402 CA ALA A 28 11.349 -6.405 3.600 1.00 0.33 C ATOM 403 C ALA A 28 11.933 -6.243 2.201 1.00 0.28 C ATOM 404 O ALA A 28 11.711 -7.089 1.332 1.00 0.29 O ATOM 405 CB ALA A 28 12.119 -7.463 4.373 1.00 0.41 C ATOM 0 H ALA A 28 9.781 -7.776 3.451 1.00 0.31 H new ATOM 0 HA ALA A 28 11.437 -5.444 4.106 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.173 -7.189 4.413 1.00 0.41 H new ATOM 0 HB2 ALA A 28 11.723 -7.533 5.386 1.00 0.41 H new ATOM 0 HB3 ALA A 28 12.013 -8.427 3.875 1.00 0.41 H new ATOM 411 N LEU A 29 12.690 -5.166 1.986 1.00 0.28 N ATOM 412 CA LEU A 29 13.327 -4.935 0.696 1.00 0.28 C ATOM 413 C LEU A 29 14.524 -5.869 0.524 1.00 0.32 C ATOM 414 O LEU A 29 15.217 -6.187 1.493 1.00 0.36 O ATOM 415 CB LEU A 29 13.773 -3.473 0.537 1.00 0.35 C ATOM 416 CG LEU A 29 12.655 -2.420 0.547 1.00 0.38 C ATOM 417 CD1 LEU A 29 13.113 -1.151 -0.150 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.400 -2.948 -0.112 1.00 1.04 C ATOM 0 H LEU A 29 12.874 -4.447 2.685 1.00 0.28 H new ATOM 0 HA LEU A 29 12.590 -5.145 -0.079 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.472 -3.239 1.340 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.322 -3.382 -0.400 1.00 0.35 H new ATOM 0 HG LEU A 29 12.424 -2.190 1.587 1.00 0.38 H new ATOM 0 HD11 LEU A 29 12.308 -0.416 -0.133 1.00 1.13 H new ATOM 0 HD12 LEU A 29 13.984 -0.747 0.366 1.00 1.13 H new ATOM 0 HD13 LEU A 29 13.376 -1.378 -1.183 1.00 1.13 H new ATOM 0 HD21 LEU A 29 10.627 -2.180 -0.090 1.00 1.04 H new ATOM 0 HD22 LEU A 29 11.617 -3.215 -1.146 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.051 -3.830 0.425 1.00 1.04 H new ATOM 430 N PRO A 30 14.762 -6.334 -0.714 1.00 0.38 N ATOM 431 CA PRO A 30 15.842 -7.279 -1.036 1.00 0.53 C ATOM 432 C PRO A 30 17.239 -6.766 -0.680 1.00 0.76 C ATOM 433 O PRO A 30 18.029 -7.489 -0.069 1.00 1.64 O ATOM 434 CB PRO A 30 15.713 -7.462 -2.553 1.00 0.52 C ATOM 435 CG PRO A 30 14.302 -7.109 -2.849 1.00 0.51 C ATOM 436 CD PRO A 30 13.972 -5.992 -1.908 1.00 0.41 C ATOM 0 HA PRO A 30 15.741 -8.199 -0.460 1.00 0.53 H new ATOM 0 HB2 PRO A 30 16.406 -6.815 -3.092 1.00 0.52 H new ATOM 0 HB3 PRO A 30 15.937 -8.487 -2.850 1.00 0.52 H new ATOM 0 HG2 PRO A 30 14.183 -6.798 -3.887 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.642 -7.962 -2.694 1.00 0.51 H new ATOM 0 HD2 PRO A 30 14.254 -5.021 -2.316 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.905 -5.948 -1.689 1.00 0.41 H new ATOM 444 N GLY A 31 17.540 -5.526 -1.044 1.00 0.79 N ATOM 445 CA GLY A 31 18.870 -4.993 -0.819 1.00 0.88 C ATOM 446 C GLY A 31 19.636 -4.791 -2.108 1.00 1.01 C ATOM 447 O GLY A 31 20.864 -4.884 -2.130 1.00 1.64 O ATOM 0 H GLY A 31 16.888 -4.881 -1.490 1.00 0.79 H new ATOM 0 HA2 GLY A 31 18.793 -4.042 -0.292 1.00 0.88 H new ATOM 0 HA3 GLY A 31 19.426 -5.672 -0.172 1.00 0.88 H new ATOM 451 N GLN A 32 18.918 -4.503 -3.183 1.00 1.08 N ATOM 452 CA GLN A 32 19.547 -4.325 -4.482 1.00 1.37 C ATOM 453 C GLN A 32 18.665 -3.504 -5.420 1.00 1.07 C ATOM 454 O GLN A 32 18.927 -2.327 -5.658 1.00 1.59 O ATOM 455 CB GLN A 32 19.863 -5.684 -5.113 1.00 2.00 C ATOM 456 CG GLN A 32 20.557 -5.578 -6.459 1.00 2.66 C ATOM 457 CD GLN A 32 20.984 -6.925 -7.008 1.00 3.34 C ATOM 458 OE1 GLN A 32 20.346 -7.947 -6.759 1.00 3.88 O ATOM 459 NE2 GLN A 32 22.073 -6.937 -7.755 1.00 3.82 N ATOM 0 H GLN A 32 17.904 -4.388 -3.182 1.00 1.08 H new ATOM 0 HA GLN A 32 20.477 -3.778 -4.328 1.00 1.37 H new ATOM 0 HB2 GLN A 32 20.494 -6.255 -4.431 1.00 2.00 H new ATOM 0 HB3 GLN A 32 18.936 -6.244 -5.234 1.00 2.00 H new ATOM 0 HG2 GLN A 32 19.887 -5.097 -7.171 1.00 2.66 H new ATOM 0 HG3 GLN A 32 21.433 -4.936 -6.361 1.00 2.66 H new ATOM 0 HE21 GLN A 32 22.575 -6.068 -7.939 1.00 3.82 H new ATOM 0 HE22 GLN A 32 22.412 -7.815 -8.148 1.00 3.82 H new ATOM 468 N GLU A 33 17.625 -4.128 -5.947 1.00 0.97 N ATOM 469 CA GLU A 33 16.772 -3.487 -6.943 1.00 0.88 C ATOM 470 C GLU A 33 15.549 -2.864 -6.290 1.00 0.88 C ATOM 471 O GLU A 33 15.054 -1.828 -6.734 1.00 1.63 O ATOM 472 CB GLU A 33 16.342 -4.516 -7.984 1.00 1.23 C ATOM 473 CG GLU A 33 17.513 -5.251 -8.612 1.00 1.72 C ATOM 474 CD GLU A 33 17.083 -6.483 -9.365 1.00 2.31 C ATOM 475 OE1 GLU A 33 16.891 -7.539 -8.728 1.00 2.65 O ATOM 476 OE2 GLU A 33 16.931 -6.400 -10.602 1.00 3.02 O ATOM 0 H GLU A 33 17.348 -5.079 -5.704 1.00 0.97 H new ATOM 0 HA GLU A 33 17.339 -2.692 -7.428 1.00 0.88 H new ATOM 0 HB2 GLU A 33 15.674 -5.240 -7.517 1.00 1.23 H new ATOM 0 HB3 GLU A 33 15.772 -4.016 -8.767 1.00 1.23 H new ATOM 0 HG2 GLU A 33 18.038 -4.579 -9.291 1.00 1.72 H new ATOM 0 HG3 GLU A 33 18.221 -5.534 -7.833 1.00 1.72 H new ATOM 483 N GLU A 34 15.102 -3.500 -5.214 1.00 0.54 N ATOM 484 CA GLU A 34 13.929 -3.075 -4.448 1.00 0.56 C ATOM 485 C GLU A 34 12.698 -2.937 -5.350 1.00 0.48 C ATOM 486 O GLU A 34 12.360 -1.844 -5.804 1.00 0.58 O ATOM 487 CB GLU A 34 14.199 -1.758 -3.703 1.00 0.72 C ATOM 488 CG GLU A 34 15.647 -1.592 -3.249 1.00 0.96 C ATOM 489 CD GLU A 34 16.125 -2.689 -2.309 1.00 1.55 C ATOM 490 OE1 GLU A 34 16.308 -3.840 -2.765 1.00 2.31 O ATOM 491 OE2 GLU A 34 16.355 -2.394 -1.122 1.00 1.97 O ATOM 0 H GLU A 34 15.548 -4.338 -4.841 1.00 0.54 H new ATOM 0 HA GLU A 34 13.724 -3.849 -3.709 1.00 0.56 H new ATOM 0 HB2 GLU A 34 13.934 -0.923 -4.352 1.00 0.72 H new ATOM 0 HB3 GLU A 34 13.546 -1.704 -2.832 1.00 0.72 H new ATOM 0 HG2 GLU A 34 16.293 -1.571 -4.127 1.00 0.96 H new ATOM 0 HG3 GLU A 34 15.754 -0.628 -2.752 1.00 0.96 H new ATOM 498 N PRO A 35 12.020 -4.061 -5.630 1.00 0.41 N ATOM 499 CA PRO A 35 10.849 -4.097 -6.499 1.00 0.40 C ATOM 500 C PRO A 35 9.551 -3.968 -5.713 1.00 0.35 C ATOM 501 O PRO A 35 8.464 -4.255 -6.216 1.00 0.39 O ATOM 502 CB PRO A 35 10.954 -5.491 -7.103 1.00 0.48 C ATOM 503 CG PRO A 35 11.530 -6.330 -6.007 1.00 0.50 C ATOM 504 CD PRO A 35 12.345 -5.407 -5.128 1.00 0.46 C ATOM 0 HA PRO A 35 10.829 -3.282 -7.222 1.00 0.40 H new ATOM 0 HB2 PRO A 35 9.978 -5.862 -7.417 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.595 -5.495 -7.985 1.00 0.48 H new ATOM 0 HG2 PRO A 35 10.738 -6.811 -5.432 1.00 0.50 H new ATOM 0 HG3 PRO A 35 12.154 -7.124 -6.416 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.077 -5.517 -4.077 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.412 -5.617 -5.209 1.00 0.46 H new ATOM 512 N TRP A 36 9.679 -3.535 -4.475 1.00 0.30 N ATOM 513 CA TRP A 36 8.551 -3.476 -3.562 1.00 0.27 C ATOM 514 C TRP A 36 7.908 -2.099 -3.553 1.00 0.24 C ATOM 515 O TRP A 36 7.436 -1.640 -2.513 1.00 0.25 O ATOM 516 CB TRP A 36 9.000 -3.861 -2.146 1.00 0.28 C ATOM 517 CG TRP A 36 9.411 -5.304 -2.018 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.349 -5.813 -1.166 1.00 0.32 C ATOM 519 CD2 TRP A 36 8.901 -6.424 -2.761 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.448 -7.170 -1.327 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.574 -7.571 -2.297 1.00 0.34 C ATOM 522 CE3 TRP A 36 7.943 -6.571 -3.769 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.318 -8.841 -2.806 1.00 0.38 C ATOM 524 CZ3 TRP A 36 7.691 -7.832 -4.272 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.375 -8.953 -3.789 1.00 0.42 C ATOM 0 H TRP A 36 10.561 -3.216 -4.074 1.00 0.30 H new ATOM 0 HA TRP A 36 7.802 -4.188 -3.910 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.836 -3.226 -1.853 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.187 -3.660 -1.448 1.00 0.28 H new ATOM 0 HD1 TRP A 36 10.929 -5.230 -0.466 1.00 0.32 H new ATOM 0 HE1 TRP A 36 11.075 -7.783 -0.806 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.409 -5.712 -4.148 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 9.846 -9.708 -2.437 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 6.954 -7.955 -5.051 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.153 -9.926 -4.201 1.00 0.42 H new ATOM 536 N ASP A 37 7.873 -1.447 -4.715 1.00 0.24 N ATOM 537 CA ASP A 37 7.250 -0.129 -4.833 1.00 0.21 C ATOM 538 C ASP A 37 5.788 -0.222 -4.412 1.00 0.21 C ATOM 539 O ASP A 37 5.186 -1.297 -4.484 1.00 0.24 O ATOM 540 CB ASP A 37 7.306 0.411 -6.270 1.00 0.25 C ATOM 541 CG ASP A 37 8.525 -0.033 -7.051 1.00 0.82 C ATOM 542 OD1 ASP A 37 8.649 -1.245 -7.321 1.00 1.59 O ATOM 543 OD2 ASP A 37 9.348 0.827 -7.422 1.00 1.21 O ATOM 0 H ASP A 37 8.267 -1.808 -5.584 1.00 0.24 H new ATOM 0 HA ASP A 37 7.804 0.552 -4.187 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.410 0.090 -6.802 1.00 0.25 H new ATOM 0 HB3 ASP A 37 7.285 1.500 -6.238 1.00 0.25 H new ATOM 548 N ILE A 38 5.213 0.905 -4.007 1.00 0.20 N ATOM 549 CA ILE A 38 3.822 0.949 -3.549 1.00 0.20 C ATOM 550 C ILE A 38 2.900 0.327 -4.594 1.00 0.20 C ATOM 551 O ILE A 38 1.944 -0.377 -4.266 1.00 0.23 O ATOM 552 CB ILE A 38 3.370 2.403 -3.273 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.479 3.168 -2.543 1.00 0.20 C ATOM 554 CG2 ILE A 38 2.081 2.420 -2.460 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.884 2.568 -1.212 1.00 0.24 C ATOM 0 H ILE A 38 5.689 1.807 -3.985 1.00 0.20 H new ATOM 0 HA ILE A 38 3.762 0.380 -2.621 1.00 0.20 H new ATOM 0 HB ILE A 38 3.175 2.895 -4.226 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.356 3.215 -3.188 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.149 4.194 -2.379 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.780 3.451 -2.277 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.295 1.906 -3.013 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.245 1.915 -1.508 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.673 3.173 -0.765 1.00 0.24 H new ATOM 0 HD12 ILE A 38 4.022 2.547 -0.545 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.248 1.552 -1.367 1.00 0.24 H new ATOM 567 N ARG A 39 3.234 0.581 -5.854 1.00 0.19 N ATOM 568 CA ARG A 39 2.520 0.023 -6.992 1.00 0.20 C ATOM 569 C ARG A 39 2.408 -1.501 -6.884 1.00 0.19 C ATOM 570 O ARG A 39 1.318 -2.064 -6.981 1.00 0.25 O ATOM 571 CB ARG A 39 3.266 0.421 -8.273 1.00 0.31 C ATOM 572 CG ARG A 39 2.611 -0.025 -9.572 1.00 0.99 C ATOM 573 CD ARG A 39 2.919 -1.479 -9.906 1.00 1.11 C ATOM 574 NE ARG A 39 2.511 -1.813 -11.271 1.00 1.63 N ATOM 575 CZ ARG A 39 2.939 -2.880 -11.945 1.00 2.06 C ATOM 576 NH1 ARG A 39 3.794 -3.731 -11.389 1.00 2.03 N ATOM 577 NH2 ARG A 39 2.514 -3.097 -13.182 1.00 2.62 N ATOM 0 H ARG A 39 4.014 1.185 -6.114 1.00 0.19 H new ATOM 0 HA ARG A 39 1.504 0.418 -7.012 1.00 0.20 H new ATOM 0 HB2 ARG A 39 3.370 1.506 -8.291 1.00 0.31 H new ATOM 0 HB3 ARG A 39 4.273 0.005 -8.232 1.00 0.31 H new ATOM 0 HG2 ARG A 39 1.532 0.107 -9.496 1.00 0.99 H new ATOM 0 HG3 ARG A 39 2.954 0.613 -10.387 1.00 0.99 H new ATOM 0 HD2 ARG A 39 3.987 -1.662 -9.789 1.00 1.11 H new ATOM 0 HD3 ARG A 39 2.405 -2.132 -9.201 1.00 1.11 H new ATOM 0 HE ARG A 39 1.855 -1.187 -11.738 1.00 1.63 H new ATOM 0 HH11 ARG A 39 4.128 -3.570 -10.439 1.00 2.03 H new ATOM 0 HH12 ARG A 39 4.116 -4.545 -11.912 1.00 2.03 H new ATOM 0 HH21 ARG A 39 1.859 -2.447 -13.618 1.00 2.62 H new ATOM 0 HH22 ARG A 39 2.842 -3.914 -13.698 1.00 2.62 H new ATOM 591 N ASN A 40 3.540 -2.164 -6.659 1.00 0.17 N ATOM 592 CA ASN A 40 3.588 -3.624 -6.692 1.00 0.18 C ATOM 593 C ASN A 40 2.961 -4.232 -5.449 1.00 0.18 C ATOM 594 O ASN A 40 2.426 -5.341 -5.491 1.00 0.22 O ATOM 595 CB ASN A 40 5.029 -4.126 -6.847 1.00 0.22 C ATOM 596 CG ASN A 40 5.557 -3.923 -8.252 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.230 -4.685 -9.161 1.00 0.69 O ATOM 598 ND2 ASN A 40 6.403 -2.921 -8.437 1.00 0.59 N ATOM 0 H ASN A 40 4.433 -1.716 -6.453 1.00 0.17 H new ATOM 0 HA ASN A 40 3.009 -3.942 -7.559 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.672 -3.603 -6.140 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.072 -5.185 -6.594 1.00 0.22 H new ATOM 0 HD21 ASN A 40 6.808 -2.759 -9.359 1.00 0.59 H new ATOM 0 HD22 ASN A 40 6.649 -2.311 -7.658 1.00 0.59 H new ATOM 605 N LEU A 41 3.013 -3.500 -4.352 1.00 0.18 N ATOM 606 CA LEU A 41 2.500 -3.999 -3.083 1.00 0.19 C ATOM 607 C LEU A 41 0.987 -3.983 -3.056 1.00 0.19 C ATOM 608 O LEU A 41 0.364 -4.884 -2.499 1.00 0.21 O ATOM 609 CB LEU A 41 3.079 -3.204 -1.919 1.00 0.21 C ATOM 610 CG LEU A 41 4.414 -3.739 -1.407 1.00 0.26 C ATOM 611 CD1 LEU A 41 4.196 -5.046 -0.663 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.374 -3.961 -2.563 1.00 0.29 C ATOM 0 H LEU A 41 3.404 -2.559 -4.310 1.00 0.18 H new ATOM 0 HA LEU A 41 2.817 -5.036 -2.977 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.209 -2.167 -2.229 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.361 -3.204 -1.099 1.00 0.21 H new ATOM 0 HG LEU A 41 4.846 -3.005 -0.727 1.00 0.26 H new ATOM 0 HD11 LEU A 41 5.153 -5.422 -0.300 1.00 0.32 H new ATOM 0 HD12 LEU A 41 3.529 -4.877 0.182 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.750 -5.778 -1.336 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.321 -4.342 -2.181 1.00 0.29 H new ATOM 0 HD22 LEU A 41 4.946 -4.683 -3.258 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.545 -3.017 -3.080 1.00 0.29 H new ATOM 624 N LEU A 42 0.398 -2.970 -3.665 1.00 0.19 N ATOM 625 CA LEU A 42 -1.040 -2.937 -3.834 1.00 0.23 C ATOM 626 C LEU A 42 -1.485 -4.142 -4.652 1.00 0.21 C ATOM 627 O LEU A 42 -2.490 -4.761 -4.344 1.00 0.26 O ATOM 628 CB LEU A 42 -1.463 -1.619 -4.491 1.00 0.30 C ATOM 629 CG LEU A 42 -2.477 -1.711 -5.642 1.00 0.47 C ATOM 630 CD1 LEU A 42 -3.843 -2.193 -5.177 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.609 -0.362 -6.295 1.00 0.82 C ATOM 0 H LEU A 42 0.892 -2.164 -4.048 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.527 -2.990 -2.860 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -1.883 -0.975 -3.719 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.567 -1.124 -4.866 1.00 0.30 H new ATOM 0 HG LEU A 42 -2.103 -2.446 -6.355 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -4.522 -2.240 -6.029 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -3.748 -3.184 -4.734 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -4.240 -1.500 -4.435 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.327 -0.422 -7.112 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -2.955 0.365 -5.561 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -1.640 -0.051 -6.686 1.00 0.82 H new ATOM 643 N VAL A 43 -0.712 -4.486 -5.670 1.00 0.20 N ATOM 644 CA VAL A 43 -1.023 -5.636 -6.510 1.00 0.22 C ATOM 645 C VAL A 43 -0.955 -6.920 -5.697 1.00 0.22 C ATOM 646 O VAL A 43 -1.844 -7.771 -5.783 1.00 0.24 O ATOM 647 CB VAL A 43 -0.057 -5.745 -7.700 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.390 -6.965 -8.543 1.00 0.31 C ATOM 649 CG2 VAL A 43 -0.099 -4.476 -8.531 1.00 0.32 C ATOM 0 H VAL A 43 0.136 -3.986 -5.936 1.00 0.20 H new ATOM 0 HA VAL A 43 -2.033 -5.492 -6.893 1.00 0.22 H new ATOM 0 HB VAL A 43 0.957 -5.866 -7.320 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.303 -7.028 -9.382 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.303 -7.864 -7.932 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -1.409 -6.879 -8.920 1.00 0.31 H new ATOM 0 HG21 VAL A 43 0.590 -4.568 -9.370 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -1.110 -4.321 -8.907 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.193 -3.627 -7.913 1.00 0.32 H new ATOM 659 N TRP A 44 0.101 -7.037 -4.901 1.00 0.23 N ATOM 660 CA TRP A 44 0.277 -8.174 -4.014 1.00 0.27 C ATOM 661 C TRP A 44 -0.939 -8.314 -3.106 1.00 0.28 C ATOM 662 O TRP A 44 -1.478 -9.405 -2.922 1.00 0.33 O ATOM 663 CB TRP A 44 1.547 -7.989 -3.173 1.00 0.31 C ATOM 664 CG TRP A 44 1.880 -9.167 -2.305 1.00 0.41 C ATOM 665 CD1 TRP A 44 1.321 -9.488 -1.100 1.00 0.45 C ATOM 666 CD2 TRP A 44 2.861 -10.174 -2.573 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.887 -10.639 -0.609 1.00 0.56 N ATOM 668 CE2 TRP A 44 2.838 -11.078 -1.494 1.00 0.61 C ATOM 669 CE3 TRP A 44 3.754 -10.400 -3.624 1.00 0.65 C ATOM 670 CZ2 TRP A 44 3.675 -12.189 -1.439 1.00 0.76 C ATOM 671 CZ3 TRP A 44 4.583 -11.504 -3.566 1.00 0.81 C ATOM 672 CH2 TRP A 44 4.538 -12.386 -2.482 1.00 0.85 C ATOM 0 H TRP A 44 0.853 -6.350 -4.854 1.00 0.23 H new ATOM 0 HA TRP A 44 0.379 -9.081 -4.610 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.387 -7.793 -3.840 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.428 -7.108 -2.542 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.547 -8.919 -0.606 1.00 0.45 H new ATOM 0 HE1 TRP A 44 1.640 -11.093 0.270 1.00 0.56 H new ATOM 0 HE3 TRP A 44 3.795 -9.725 -4.466 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 3.644 -12.871 -0.602 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 5.278 -11.689 -4.372 1.00 0.81 H new ATOM 0 HH2 TRP A 44 5.198 -13.241 -2.468 1.00 0.85 H new ATOM 683 N ILE A 45 -1.378 -7.187 -2.569 1.00 0.26 N ATOM 684 CA ILE A 45 -2.519 -7.154 -1.669 1.00 0.29 C ATOM 685 C ILE A 45 -3.826 -7.378 -2.432 1.00 0.31 C ATOM 686 O ILE A 45 -4.686 -8.142 -2.005 1.00 0.37 O ATOM 687 CB ILE A 45 -2.577 -5.809 -0.908 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.385 -5.681 0.045 1.00 0.36 C ATOM 689 CG2 ILE A 45 -3.883 -5.676 -0.149 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.349 -4.371 0.805 1.00 0.47 C ATOM 0 H ILE A 45 -0.956 -6.275 -2.743 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.396 -7.962 -0.948 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.524 -5.001 -1.638 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.412 -6.504 0.759 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.462 -5.785 -0.526 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -3.902 -4.722 0.379 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -4.717 -5.719 -0.849 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -3.970 -6.490 0.570 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.477 -4.354 1.459 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.290 -3.542 0.099 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.254 -4.273 1.404 1.00 0.47 H new ATOM 702 N LYS A 46 -3.953 -6.727 -3.571 1.00 0.29 N ATOM 703 CA LYS A 46 -5.163 -6.799 -4.375 1.00 0.35 C ATOM 704 C LYS A 46 -5.438 -8.229 -4.837 1.00 0.39 C ATOM 705 O LYS A 46 -6.502 -8.785 -4.575 1.00 0.44 O ATOM 706 CB LYS A 46 -5.048 -5.869 -5.588 1.00 0.39 C ATOM 707 CG LYS A 46 -6.309 -5.796 -6.433 1.00 0.91 C ATOM 708 CD LYS A 46 -6.171 -4.782 -7.556 1.00 0.91 C ATOM 709 CE LYS A 46 -7.432 -4.724 -8.403 1.00 1.26 C ATOM 710 NZ LYS A 46 -7.348 -3.694 -9.470 1.00 1.93 N ATOM 0 H LYS A 46 -3.224 -6.134 -3.967 1.00 0.29 H new ATOM 0 HA LYS A 46 -5.998 -6.477 -3.753 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -4.797 -4.867 -5.242 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -4.222 -6.206 -6.214 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.524 -6.779 -6.853 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -7.156 -5.528 -5.802 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -5.966 -3.797 -7.137 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -5.320 -5.045 -8.184 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -7.608 -5.700 -8.856 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -8.288 -4.511 -7.762 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -8.230 -3.692 -10.021 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -7.207 -2.758 -9.039 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -6.548 -3.910 -10.099 1.00 1.93 H new ATOM 724 N LYS A 47 -4.467 -8.832 -5.498 1.00 0.41 N ATOM 725 CA LYS A 47 -4.667 -10.142 -6.106 1.00 0.52 C ATOM 726 C LYS A 47 -4.739 -11.263 -5.071 1.00 0.57 C ATOM 727 O LYS A 47 -5.474 -12.233 -5.251 1.00 0.78 O ATOM 728 CB LYS A 47 -3.559 -10.433 -7.115 1.00 0.65 C ATOM 729 CG LYS A 47 -3.573 -9.495 -8.307 1.00 1.31 C ATOM 730 CD LYS A 47 -2.596 -9.940 -9.379 1.00 1.66 C ATOM 731 CE LYS A 47 -2.713 -9.078 -10.620 1.00 2.33 C ATOM 732 NZ LYS A 47 -1.890 -9.601 -11.741 1.00 2.96 N ATOM 0 H LYS A 47 -3.534 -8.441 -5.629 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.629 -10.111 -6.617 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -2.593 -10.360 -6.615 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -3.658 -11.460 -7.468 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -4.579 -9.452 -8.725 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -3.321 -8.486 -7.980 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -1.579 -9.888 -8.992 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -2.786 -10.982 -9.638 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -3.757 -9.028 -10.929 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -2.401 -8.060 -10.385 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -1.999 -8.982 -12.570 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 -0.890 -9.625 -11.456 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -2.204 -10.562 -11.983 1.00 2.96 H new ATOM 746 N ASN A 48 -3.992 -11.129 -3.988 1.00 0.50 N ATOM 747 CA ASN A 48 -3.904 -12.200 -2.998 1.00 0.58 C ATOM 748 C ASN A 48 -4.830 -11.960 -1.808 1.00 0.58 C ATOM 749 O ASN A 48 -5.569 -12.853 -1.397 1.00 0.77 O ATOM 750 CB ASN A 48 -2.456 -12.347 -2.513 1.00 0.61 C ATOM 751 CG ASN A 48 -2.284 -13.422 -1.449 1.00 1.41 C ATOM 752 OD1 ASN A 48 -3.084 -14.473 -1.518 1.00 2.21 O flip ATOM 753 ND2 ASN A 48 -1.423 -13.311 -0.576 1.00 2.09 N flip ATOM 0 H ASN A 48 -3.441 -10.299 -3.769 1.00 0.50 H new ATOM 0 HA ASN A 48 -4.226 -13.122 -3.483 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -1.817 -12.582 -3.364 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -2.115 -11.392 -2.113 1.00 0.61 H new ATOM 0 HD21 ASN A 48 -0.823 -12.486 -0.553 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -1.309 -14.044 0.124 1.00 2.09 H new ATOM 760 N LEU A 49 -4.808 -10.750 -1.279 1.00 0.42 N ATOM 761 CA LEU A 49 -5.426 -10.473 0.010 1.00 0.44 C ATOM 762 C LEU A 49 -6.872 -9.979 -0.125 1.00 0.39 C ATOM 763 O LEU A 49 -7.657 -10.116 0.815 1.00 0.39 O ATOM 764 CB LEU A 49 -4.572 -9.450 0.765 1.00 0.50 C ATOM 765 CG LEU A 49 -4.939 -9.228 2.230 1.00 0.57 C ATOM 766 CD1 LEU A 49 -4.739 -10.505 3.030 1.00 1.32 C ATOM 767 CD2 LEU A 49 -4.116 -8.089 2.815 1.00 1.10 C ATOM 0 H LEU A 49 -4.369 -9.942 -1.720 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.472 -11.407 0.571 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -3.530 -9.767 0.715 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -4.639 -8.495 0.245 1.00 0.50 H new ATOM 0 HG LEU A 49 -5.993 -8.954 2.287 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -5.006 -10.327 4.072 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -5.373 -11.293 2.623 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -3.695 -10.812 2.970 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -4.389 -7.942 3.860 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -3.056 -8.334 2.748 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.313 -7.174 2.257 1.00 1.10 H new ATOM 779 N LEU A 50 -7.230 -9.409 -1.281 1.00 0.39 N ATOM 780 CA LEU A 50 -8.587 -8.881 -1.484 1.00 0.39 C ATOM 781 C LEU A 50 -9.624 -10.000 -1.365 1.00 0.41 C ATOM 782 O LEU A 50 -9.766 -10.826 -2.269 1.00 0.50 O ATOM 783 CB LEU A 50 -8.715 -8.225 -2.865 1.00 0.47 C ATOM 784 CG LEU A 50 -9.417 -6.860 -2.924 1.00 0.44 C ATOM 785 CD1 LEU A 50 -10.722 -6.860 -2.154 1.00 0.51 C ATOM 786 CD2 LEU A 50 -8.495 -5.777 -2.414 1.00 0.62 C ATOM 0 H LEU A 50 -6.609 -9.301 -2.083 1.00 0.39 H new ATOM 0 HA LEU A 50 -8.770 -8.133 -0.712 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.714 -8.110 -3.280 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -9.253 -8.912 -3.518 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.660 -6.657 -3.967 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.185 -5.875 -2.222 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.394 -7.607 -2.577 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -10.527 -7.098 -1.108 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -9.004 -4.814 -2.461 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -8.218 -5.991 -1.382 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -7.597 -5.743 -3.031 1.00 0.62 H new ATOM 798 N LYS A 51 -10.332 -10.031 -0.243 1.00 0.40 N ATOM 799 CA LYS A 51 -11.380 -11.018 -0.025 1.00 0.47 C ATOM 800 C LYS A 51 -12.676 -10.551 -0.677 1.00 0.52 C ATOM 801 O LYS A 51 -13.486 -11.357 -1.135 1.00 0.63 O ATOM 802 CB LYS A 51 -11.581 -11.249 1.473 1.00 0.52 C ATOM 803 CG LYS A 51 -10.306 -11.665 2.191 1.00 0.57 C ATOM 804 CD LYS A 51 -9.790 -13.001 1.681 1.00 1.08 C ATOM 805 CE LYS A 51 -8.512 -13.424 2.391 1.00 1.81 C ATOM 806 NZ LYS A 51 -8.704 -13.556 3.859 1.00 2.26 N ATOM 0 H LYS A 51 -10.198 -9.381 0.532 1.00 0.40 H new ATOM 0 HA LYS A 51 -11.083 -11.962 -0.481 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -11.964 -10.335 1.927 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.339 -12.019 1.617 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -9.542 -10.901 2.050 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -10.496 -11.732 3.262 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -10.555 -13.764 1.825 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -9.604 -12.933 0.609 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -8.170 -14.375 1.984 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -7.729 -12.692 2.193 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -7.888 -14.051 4.273 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -8.788 -12.611 4.285 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -9.571 -14.099 4.048 1.00 2.26 H new ATOM 820 N GLU A 52 -12.854 -9.240 -0.721 1.00 0.52 N ATOM 821 CA GLU A 52 -13.973 -8.632 -1.431 1.00 0.59 C ATOM 822 C GLU A 52 -13.678 -8.561 -2.924 1.00 0.58 C ATOM 823 O GLU A 52 -12.709 -9.151 -3.410 1.00 0.72 O ATOM 824 CB GLU A 52 -14.220 -7.217 -0.904 1.00 0.66 C ATOM 825 CG GLU A 52 -14.821 -7.166 0.486 1.00 0.64 C ATOM 826 CD GLU A 52 -16.233 -7.712 0.520 1.00 0.90 C ATOM 827 OE1 GLU A 52 -17.152 -7.016 0.036 1.00 1.15 O ATOM 828 OE2 GLU A 52 -16.427 -8.838 1.022 1.00 1.16 O ATOM 0 H GLU A 52 -12.232 -8.569 -0.269 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.858 -9.246 -1.266 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -13.275 -6.674 -0.899 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -14.884 -6.696 -1.594 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -14.196 -7.738 1.171 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -14.823 -6.136 0.841 1.00 0.64 H new ATOM 835 N ARG A 53 -14.518 -7.846 -3.650 1.00 0.65 N ATOM 836 CA ARG A 53 -14.237 -7.525 -5.035 1.00 0.68 C ATOM 837 C ARG A 53 -13.527 -6.180 -5.091 1.00 0.59 C ATOM 838 O ARG A 53 -13.979 -5.222 -4.476 1.00 0.65 O ATOM 839 CB ARG A 53 -15.525 -7.484 -5.859 1.00 0.87 C ATOM 840 CG ARG A 53 -16.180 -8.842 -6.045 1.00 1.34 C ATOM 841 CD ARG A 53 -17.426 -8.737 -6.908 1.00 1.78 C ATOM 842 NE ARG A 53 -17.953 -10.048 -7.272 1.00 2.46 N ATOM 843 CZ ARG A 53 -18.589 -10.298 -8.415 1.00 3.32 C ATOM 844 NH1 ARG A 53 -18.792 -9.327 -9.297 1.00 3.80 N ATOM 845 NH2 ARG A 53 -19.026 -11.520 -8.679 1.00 4.10 N ATOM 0 H ARG A 53 -15.402 -7.476 -3.301 1.00 0.65 H new ATOM 0 HA ARG A 53 -13.598 -8.298 -5.462 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -16.234 -6.813 -5.374 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -15.305 -7.061 -6.839 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -15.472 -9.530 -6.506 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -16.442 -9.259 -5.072 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -18.191 -8.175 -6.372 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -17.193 -8.176 -7.813 1.00 1.78 H new ATOM 0 HE ARG A 53 -17.827 -10.817 -6.614 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -18.460 -8.383 -9.101 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -19.280 -9.525 -10.171 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -18.876 -12.272 -8.006 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -19.513 -11.709 -9.555 1.00 4.10 H new ATOM 859 N PRO A 54 -12.410 -6.086 -5.828 1.00 0.55 N ATOM 860 CA PRO A 54 -11.563 -4.879 -5.861 1.00 0.53 C ATOM 861 C PRO A 54 -12.284 -3.634 -6.377 1.00 0.57 C ATOM 862 O PRO A 54 -11.730 -2.538 -6.351 1.00 0.59 O ATOM 863 CB PRO A 54 -10.436 -5.256 -6.822 1.00 0.61 C ATOM 864 CG PRO A 54 -10.435 -6.744 -6.852 1.00 0.68 C ATOM 865 CD PRO A 54 -11.869 -7.149 -6.686 1.00 0.65 C ATOM 0 HA PRO A 54 -11.235 -4.612 -4.856 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -10.609 -4.842 -7.815 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.478 -4.868 -6.478 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -10.028 -7.117 -7.792 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -9.817 -7.152 -6.052 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.388 -7.200 -7.643 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -11.961 -8.130 -6.221 1.00 0.65 H new ATOM 873 N GLU A 55 -13.512 -3.810 -6.841 1.00 0.64 N ATOM 874 CA GLU A 55 -14.320 -2.706 -7.351 1.00 0.75 C ATOM 875 C GLU A 55 -14.582 -1.644 -6.286 1.00 0.69 C ATOM 876 O GLU A 55 -14.754 -0.468 -6.609 1.00 0.80 O ATOM 877 CB GLU A 55 -15.643 -3.231 -7.914 1.00 0.92 C ATOM 878 CG GLU A 55 -16.394 -4.149 -6.962 1.00 1.39 C ATOM 879 CD GLU A 55 -17.669 -4.690 -7.567 1.00 1.89 C ATOM 880 OE1 GLU A 55 -17.646 -5.105 -8.744 1.00 2.27 O ATOM 881 OE2 GLU A 55 -18.705 -4.694 -6.870 1.00 2.43 O ATOM 0 H GLU A 55 -13.977 -4.717 -6.876 1.00 0.64 H new ATOM 0 HA GLU A 55 -13.752 -2.231 -8.151 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -16.281 -2.384 -8.166 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -15.445 -3.768 -8.841 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -15.748 -4.980 -6.679 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -16.632 -3.604 -6.048 1.00 1.39 H new ATOM 888 N LEU A 56 -14.618 -2.052 -5.025 1.00 0.64 N ATOM 889 CA LEU A 56 -14.789 -1.106 -3.927 1.00 0.68 C ATOM 890 C LEU A 56 -13.434 -0.677 -3.367 1.00 0.59 C ATOM 891 O LEU A 56 -13.339 0.231 -2.541 1.00 0.69 O ATOM 892 CB LEU A 56 -15.676 -1.701 -2.819 1.00 0.81 C ATOM 893 CG LEU A 56 -15.478 -3.193 -2.510 1.00 1.09 C ATOM 894 CD1 LEU A 56 -14.051 -3.487 -2.078 1.00 1.86 C ATOM 895 CD2 LEU A 56 -16.454 -3.641 -1.435 1.00 2.05 C ATOM 0 H LEU A 56 -14.532 -3.026 -4.736 1.00 0.64 H new ATOM 0 HA LEU A 56 -15.291 -0.221 -4.319 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -15.502 -1.137 -1.903 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -16.719 -1.545 -3.096 1.00 0.81 H new ATOM 0 HG LEU A 56 -15.672 -3.752 -3.425 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -13.947 -4.551 -1.867 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -13.364 -3.206 -2.876 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -13.817 -2.915 -1.180 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -16.303 -4.700 -1.225 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -16.285 -3.063 -0.526 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -17.475 -3.481 -1.781 1.00 2.05 H new ATOM 907 N PHE A 57 -12.386 -1.335 -3.837 1.00 0.47 N ATOM 908 CA PHE A 57 -11.036 -1.044 -3.393 1.00 0.41 C ATOM 909 C PHE A 57 -10.353 -0.151 -4.425 1.00 0.37 C ATOM 910 O PHE A 57 -10.990 0.326 -5.361 1.00 0.37 O ATOM 911 CB PHE A 57 -10.280 -2.367 -3.150 1.00 0.38 C ATOM 912 CG PHE A 57 -8.880 -2.250 -2.604 1.00 0.35 C ATOM 913 CD1 PHE A 57 -8.649 -1.645 -1.378 1.00 0.35 C ATOM 914 CD2 PHE A 57 -7.795 -2.715 -3.329 1.00 0.37 C ATOM 915 CE1 PHE A 57 -7.366 -1.511 -0.885 1.00 0.36 C ATOM 916 CE2 PHE A 57 -6.508 -2.583 -2.840 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.300 -2.088 -1.578 1.00 0.35 C ATOM 0 H PHE A 57 -12.448 -2.080 -4.531 1.00 0.47 H new ATOM 0 HA PHE A 57 -11.044 -0.502 -2.447 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -10.866 -2.973 -2.459 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.234 -2.912 -4.093 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -9.483 -1.274 -0.801 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -7.956 -3.186 -4.287 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -7.189 -0.964 0.029 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -5.666 -2.870 -3.453 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.321 -2.144 -1.125 1.00 0.35 H new ATOM 927 N ILE A 58 -9.073 0.071 -4.253 1.00 0.36 N ATOM 928 CA ILE A 58 -8.339 1.036 -5.063 1.00 0.36 C ATOM 929 C ILE A 58 -7.959 0.494 -6.435 1.00 0.30 C ATOM 930 O ILE A 58 -7.935 -0.719 -6.662 1.00 0.30 O ATOM 931 CB ILE A 58 -7.051 1.468 -4.348 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.107 0.282 -4.219 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.370 2.043 -2.985 1.00 0.97 C ATOM 934 CD1 ILE A 58 -4.866 0.578 -3.420 1.00 0.90 C ATOM 0 H ILE A 58 -8.505 -0.406 -3.553 1.00 0.36 H new ATOM 0 HA ILE A 58 -9.012 1.882 -5.202 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.563 2.243 -4.939 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -6.640 -0.546 -3.751 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.816 -0.049 -5.216 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.446 2.344 -2.492 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -8.020 2.911 -3.099 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -7.874 1.289 -2.381 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.243 -0.315 -3.372 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.309 1.384 -3.898 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.146 0.879 -2.411 1.00 0.90 H new ATOM 946 N GLN A 59 -7.665 1.421 -7.344 1.00 0.31 N ATOM 947 CA GLN A 59 -7.246 1.083 -8.692 1.00 0.30 C ATOM 948 C GLN A 59 -5.863 0.441 -8.662 1.00 0.27 C ATOM 949 O GLN A 59 -5.024 0.803 -7.833 1.00 0.29 O ATOM 950 CB GLN A 59 -7.288 2.331 -9.597 1.00 0.39 C ATOM 951 CG GLN A 59 -6.410 3.502 -9.158 1.00 0.56 C ATOM 952 CD GLN A 59 -4.949 3.344 -9.531 1.00 0.60 C ATOM 953 OE1 GLN A 59 -4.618 2.685 -10.512 1.00 1.35 O ATOM 954 NE2 GLN A 59 -4.073 3.986 -8.766 1.00 0.58 N ATOM 0 H GLN A 59 -7.712 2.424 -7.162 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.938 0.355 -9.116 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.991 2.037 -10.604 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -8.320 2.678 -9.658 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -6.793 4.419 -9.606 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -6.489 3.618 -8.077 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -4.396 4.522 -7.960 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -3.078 3.943 -8.984 1.00 0.58 H new ATOM 963 N GLY A 60 -5.640 -0.516 -9.552 1.00 0.32 N ATOM 964 CA GLY A 60 -4.428 -1.313 -9.517 1.00 0.38 C ATOM 965 C GLY A 60 -3.201 -0.583 -10.024 1.00 0.37 C ATOM 966 O GLY A 60 -2.704 -0.878 -11.111 1.00 0.55 O ATOM 0 H GLY A 60 -6.284 -0.757 -10.306 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.248 -1.639 -8.492 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.578 -2.212 -10.115 1.00 0.38 H new ATOM 970 N ASP A 61 -2.721 0.372 -9.240 1.00 0.40 N ATOM 971 CA ASP A 61 -1.472 1.063 -9.533 1.00 0.46 C ATOM 972 C ASP A 61 -0.975 1.801 -8.291 1.00 0.44 C ATOM 973 O ASP A 61 0.216 1.817 -8.002 1.00 0.54 O ATOM 974 CB ASP A 61 -1.658 2.050 -10.680 1.00 0.55 C ATOM 975 CG ASP A 61 -0.496 2.037 -11.649 1.00 0.81 C ATOM 976 OD1 ASP A 61 0.661 2.111 -11.199 1.00 1.06 O ATOM 977 OD2 ASP A 61 -0.745 1.933 -12.869 1.00 0.96 O ATOM 0 H ASP A 61 -3.183 0.689 -8.387 1.00 0.40 H new ATOM 0 HA ASP A 61 -0.732 0.320 -9.829 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.577 1.811 -11.216 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -1.778 3.055 -10.275 1.00 0.55 H new ATOM 982 N SER A 62 -1.909 2.377 -7.533 1.00 0.40 N ATOM 983 CA SER A 62 -1.567 3.149 -6.340 1.00 0.46 C ATOM 984 C SER A 62 -2.744 3.131 -5.363 1.00 0.47 C ATOM 985 O SER A 62 -2.741 2.367 -4.407 1.00 0.70 O ATOM 986 CB SER A 62 -1.191 4.592 -6.719 1.00 0.53 C ATOM 987 OG SER A 62 -0.681 5.310 -5.612 1.00 0.80 O ATOM 0 H SER A 62 -2.909 2.323 -7.725 1.00 0.40 H new ATOM 0 HA SER A 62 -0.702 2.695 -5.857 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.448 4.577 -7.516 1.00 0.53 H new ATOM 0 HB3 SER A 62 -2.069 5.105 -7.112 1.00 0.53 H new ATOM 0 HG SER A 62 -0.856 6.267 -5.734 1.00 0.80 H new ATOM 993 N VAL A 63 -3.745 3.969 -5.631 1.00 0.38 N ATOM 994 CA VAL A 63 -5.010 3.984 -4.887 1.00 0.37 C ATOM 995 C VAL A 63 -6.102 4.579 -5.760 1.00 0.40 C ATOM 996 O VAL A 63 -5.813 5.243 -6.756 1.00 0.52 O ATOM 997 CB VAL A 63 -4.966 4.812 -3.581 1.00 0.53 C ATOM 998 CG1 VAL A 63 -4.228 4.091 -2.468 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.358 6.173 -3.831 1.00 0.78 C ATOM 0 H VAL A 63 -3.703 4.664 -6.377 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.204 2.946 -4.618 1.00 0.37 H new ATOM 0 HB VAL A 63 -5.996 4.944 -3.250 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -4.224 4.712 -1.572 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -4.728 3.147 -2.252 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -3.202 3.896 -2.779 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.337 6.739 -2.900 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -3.342 6.054 -4.207 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -4.957 6.709 -4.567 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.347 4.326 -5.390 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.488 4.970 -6.023 1.00 0.40 C ATOM 1011 C ARG A 64 -8.687 6.331 -5.360 1.00 0.40 C ATOM 1012 O ARG A 64 -8.061 6.600 -4.339 1.00 0.40 O ATOM 1013 CB ARG A 64 -9.749 4.110 -5.849 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.180 3.949 -4.396 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.401 3.056 -4.256 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.599 3.641 -4.854 1.00 1.05 N ATOM 1017 CZ ARG A 64 -13.520 2.939 -5.512 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -13.319 1.656 -5.778 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -14.629 3.531 -5.931 1.00 2.05 N ATOM 0 H ARG A 64 -7.595 3.673 -4.647 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.306 5.091 -7.091 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -10.566 4.559 -6.414 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -9.569 3.124 -6.277 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.356 3.529 -3.819 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.398 4.929 -3.973 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -11.198 2.094 -4.726 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -11.585 2.862 -3.199 1.00 0.45 H new ATOM 0 HE ARG A 64 -12.738 4.647 -4.762 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -12.456 1.202 -5.478 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -14.027 1.123 -6.282 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -14.777 4.524 -5.750 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -15.335 2.994 -6.435 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.557 7.200 -5.896 1.00 0.49 N ATOM 1034 CA PRO A 65 -9.879 8.477 -5.242 1.00 0.53 C ATOM 1035 C PRO A 65 -10.512 8.260 -3.866 1.00 0.44 C ATOM 1036 O PRO A 65 -10.609 9.178 -3.053 1.00 0.51 O ATOM 1037 CB PRO A 65 -10.885 9.138 -6.189 1.00 0.65 C ATOM 1038 CG PRO A 65 -10.743 8.425 -7.492 1.00 0.72 C ATOM 1039 CD PRO A 65 -10.275 7.035 -7.171 1.00 0.61 C ATOM 0 HA PRO A 65 -8.989 9.082 -5.071 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -11.901 9.051 -5.804 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -10.677 10.202 -6.300 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -11.693 8.400 -8.026 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -10.028 8.935 -8.137 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -11.111 6.342 -7.074 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -9.623 6.641 -7.951 1.00 0.61 H new ATOM 1047 N GLY A 66 -10.936 7.026 -3.626 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.591 6.674 -2.386 1.00 0.32 C ATOM 1049 C GLY A 66 -10.627 6.395 -1.245 1.00 0.25 C ATOM 1050 O GLY A 66 -10.813 6.904 -0.141 1.00 0.27 O ATOM 0 H GLY A 66 -10.834 6.252 -4.282 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.259 7.484 -2.095 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.211 5.793 -2.550 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.617 5.559 -1.475 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.656 5.271 -0.428 1.00 0.23 C ATOM 1056 C ILE A 67 -7.401 6.118 -0.574 1.00 0.24 C ATOM 1057 O ILE A 67 -6.820 6.204 -1.649 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.282 3.781 -0.419 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.559 2.945 -0.298 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.316 3.469 0.718 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.316 1.464 -0.141 1.00 0.34 C ATOM 0 H ILE A 67 -9.449 5.081 -2.360 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.130 5.522 0.521 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.777 3.531 -1.352 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.133 3.300 0.558 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.173 3.109 -1.184 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -7.067 2.408 0.703 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.407 4.057 0.595 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.783 3.718 1.671 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.271 0.945 -0.062 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.771 1.091 -1.008 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.730 1.285 0.761 1.00 0.34 H new ATOM 1073 N LEU A 68 -7.008 6.743 0.521 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.799 7.552 0.567 1.00 0.29 C ATOM 1075 C LEU A 68 -4.675 6.729 1.180 1.00 0.28 C ATOM 1076 O LEU A 68 -4.935 5.841 1.988 1.00 0.41 O ATOM 1077 CB LEU A 68 -6.033 8.807 1.415 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.292 9.610 1.075 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.453 10.780 2.032 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.242 10.103 -0.361 1.00 0.44 C ATOM 0 H LEU A 68 -7.516 6.705 1.404 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.531 7.856 -0.445 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -6.084 8.511 2.463 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.167 9.461 1.310 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.155 8.953 1.183 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.353 11.339 1.775 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.537 10.406 3.053 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.585 11.435 1.956 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.146 10.671 -0.582 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.369 10.742 -0.496 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.175 9.250 -1.036 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.438 7.008 0.808 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.310 6.277 1.363 1.00 0.27 C ATOM 1094 C VAL A 69 -1.282 7.214 1.976 1.00 0.19 C ATOM 1095 O VAL A 69 -0.909 8.226 1.388 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.638 5.369 0.303 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -0.166 5.127 0.613 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.364 4.042 0.236 1.00 0.81 C ATOM 0 H VAL A 69 -3.189 7.729 0.130 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.709 5.641 2.153 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.698 5.880 -0.658 1.00 0.44 H new ATOM 0 HG11 VAL A 69 0.267 4.486 -0.155 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.363 6.080 0.631 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.074 4.642 1.585 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.889 3.405 -0.510 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.321 3.554 1.210 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.405 4.210 -0.040 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.854 6.879 3.176 1.00 0.18 N ATOM 1109 CA LEU A 70 0.262 7.561 3.796 1.00 0.16 C ATOM 1110 C LEU A 70 1.543 6.846 3.432 1.00 0.15 C ATOM 1111 O LEU A 70 1.703 5.669 3.733 1.00 0.19 O ATOM 1112 CB LEU A 70 0.125 7.593 5.321 1.00 0.22 C ATOM 1113 CG LEU A 70 -1.022 8.436 5.872 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -0.936 8.509 7.390 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -1.002 9.832 5.269 1.00 0.90 C ATOM 0 H LEU A 70 -1.264 6.136 3.742 1.00 0.18 H new ATOM 0 HA LEU A 70 0.276 8.589 3.433 1.00 0.16 H new ATOM 0 HB2 LEU A 70 0.001 6.570 5.676 1.00 0.22 H new ATOM 0 HB3 LEU A 70 1.059 7.966 5.742 1.00 0.22 H new ATOM 0 HG LEU A 70 -1.964 7.962 5.597 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -1.759 9.113 7.772 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -0.999 7.504 7.807 1.00 0.95 H new ATOM 0 HD13 LEU A 70 0.012 8.963 7.679 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -1.828 10.416 5.675 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -0.058 10.320 5.513 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -1.106 9.762 4.186 1.00 0.90 H new ATOM 1127 N ILE A 71 2.429 7.537 2.744 1.00 0.14 N ATOM 1128 CA ILE A 71 3.766 7.023 2.546 1.00 0.17 C ATOM 1129 C ILE A 71 4.591 7.431 3.746 1.00 0.20 C ATOM 1130 O ILE A 71 4.822 8.619 3.950 1.00 0.24 O ATOM 1131 CB ILE A 71 4.440 7.546 1.262 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.577 7.247 0.029 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.823 6.920 1.118 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.467 5.778 -0.314 1.00 0.20 C ATOM 0 H ILE A 71 2.249 8.446 2.317 1.00 0.14 H new ATOM 0 HA ILE A 71 3.701 5.940 2.437 1.00 0.17 H new ATOM 0 HB ILE A 71 4.546 8.628 1.337 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.576 7.645 0.196 1.00 0.18 H new ATOM 0 HG13 ILE A 71 3.992 7.778 -0.828 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.298 7.291 0.210 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.434 7.185 1.981 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.727 5.836 1.060 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.840 5.657 -1.197 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.460 5.376 -0.516 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.022 5.241 0.524 1.00 0.20 H new ATOM 1146 N ASN A 72 4.934 6.437 4.561 1.00 0.22 N ATOM 1147 CA ASN A 72 5.650 6.587 5.835 1.00 0.28 C ATOM 1148 C ASN A 72 4.807 7.308 6.869 1.00 0.27 C ATOM 1149 O ASN A 72 4.699 6.830 7.993 1.00 0.31 O ATOM 1150 CB ASN A 72 7.082 7.176 5.737 1.00 0.41 C ATOM 1151 CG ASN A 72 7.186 8.633 5.339 1.00 1.04 C ATOM 1152 OD1 ASN A 72 7.561 8.864 4.095 1.00 1.94 O flip ATOM 1153 ND2 ASN A 72 6.996 9.533 6.156 1.00 1.33 N flip ATOM 0 H ASN A 72 4.714 5.464 4.348 1.00 0.22 H new ATOM 0 HA ASN A 72 5.813 5.564 6.173 1.00 0.28 H new ATOM 0 HB2 ASN A 72 7.570 7.051 6.704 1.00 0.41 H new ATOM 0 HB3 ASN A 72 7.646 6.584 5.016 1.00 0.41 H new ATOM 0 HD21 ASN A 72 6.707 9.306 7.107 1.00 1.33 H new ATOM 0 HD22 ASN A 72 7.128 10.507 5.882 1.00 1.33 H new ATOM 1160 N ASP A 73 4.204 8.421 6.471 1.00 0.26 N ATOM 1161 CA ASP A 73 3.240 9.153 7.297 1.00 0.29 C ATOM 1162 C ASP A 73 2.828 10.443 6.580 1.00 0.28 C ATOM 1163 O ASP A 73 2.375 11.403 7.200 1.00 0.36 O ATOM 1164 CB ASP A 73 3.838 9.474 8.675 1.00 0.36 C ATOM 1165 CG ASP A 73 2.805 9.919 9.691 1.00 0.62 C ATOM 1166 OD1 ASP A 73 1.903 9.122 10.016 1.00 1.03 O ATOM 1167 OD2 ASP A 73 2.864 11.086 10.145 1.00 0.65 O ATOM 0 H ASP A 73 4.368 8.848 5.559 1.00 0.26 H new ATOM 0 HA ASP A 73 2.359 8.529 7.449 1.00 0.29 H new ATOM 0 HB2 ASP A 73 4.353 8.591 9.054 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.588 10.257 8.564 1.00 0.36 H new ATOM 1172 N ALA A 74 2.959 10.450 5.255 1.00 0.27 N ATOM 1173 CA ALA A 74 2.728 11.662 4.473 1.00 0.29 C ATOM 1174 C ALA A 74 1.889 11.374 3.232 1.00 0.25 C ATOM 1175 O ALA A 74 1.612 10.214 2.914 1.00 0.20 O ATOM 1176 CB ALA A 74 4.054 12.293 4.082 1.00 0.33 C ATOM 0 H ALA A 74 3.223 9.634 4.703 1.00 0.27 H new ATOM 0 HA ALA A 74 2.170 12.362 5.095 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.870 13.196 3.499 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.614 12.550 4.981 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.631 11.587 3.484 1.00 0.33 H new ATOM 1182 N ASP A 75 1.501 12.434 2.528 1.00 0.30 N ATOM 1183 CA ASP A 75 0.624 12.319 1.361 1.00 0.29 C ATOM 1184 C ASP A 75 1.322 11.611 0.209 1.00 0.23 C ATOM 1185 O ASP A 75 2.234 12.153 -0.412 1.00 0.24 O ATOM 1186 CB ASP A 75 0.145 13.697 0.900 1.00 0.36 C ATOM 1187 CG ASP A 75 -0.655 14.416 1.961 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -1.741 13.927 2.326 1.00 0.61 O ATOM 1189 OD2 ASP A 75 -0.200 15.477 2.438 1.00 0.62 O ATOM 0 H ASP A 75 1.781 13.390 2.746 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.238 11.724 1.664 1.00 0.29 H new ATOM 0 HB2 ASP A 75 1.007 14.305 0.625 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.465 13.585 0.003 1.00 0.36 H new ATOM 1194 N TRP A 76 0.870 10.399 -0.067 1.00 0.21 N ATOM 1195 CA TRP A 76 1.433 9.554 -1.113 1.00 0.17 C ATOM 1196 C TRP A 76 1.588 10.289 -2.448 1.00 0.16 C ATOM 1197 O TRP A 76 2.671 10.291 -3.032 1.00 0.14 O ATOM 1198 CB TRP A 76 0.551 8.308 -1.296 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.784 8.568 -1.961 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.209 8.027 -3.137 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.846 9.448 -1.524 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.449 8.510 -3.463 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.864 9.374 -2.492 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.040 10.286 -0.420 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -4.046 10.101 -2.390 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.214 11.005 -0.322 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.202 10.907 -1.301 1.00 0.34 C ATOM 0 H TRP A 76 0.093 9.967 0.433 1.00 0.21 H new ATOM 0 HA TRP A 76 2.434 9.264 -0.795 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.100 7.575 -1.888 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.373 7.859 -0.319 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.648 7.318 -3.728 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -2.978 8.263 -4.299 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.282 10.369 0.345 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.813 10.029 -3.147 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.370 11.654 0.527 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.110 11.482 -1.195 1.00 0.34 H new ATOM 1218 N GLU A 77 0.520 10.933 -2.899 1.00 0.19 N ATOM 1219 CA GLU A 77 0.462 11.502 -4.238 1.00 0.21 C ATOM 1220 C GLU A 77 1.544 12.561 -4.439 1.00 0.21 C ATOM 1221 O GLU A 77 2.183 12.624 -5.487 1.00 0.27 O ATOM 1222 CB GLU A 77 -0.921 12.112 -4.484 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.344 13.123 -3.430 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.620 13.848 -3.799 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -2.540 14.889 -4.486 1.00 0.82 O ATOM 1226 OE2 GLU A 77 -3.704 13.381 -3.405 1.00 0.74 O ATOM 0 H GLU A 77 -0.327 11.075 -2.349 1.00 0.19 H new ATOM 0 HA GLU A 77 0.639 10.701 -4.955 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -0.925 12.596 -5.461 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.659 11.311 -4.522 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.483 12.612 -2.477 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.545 13.851 -3.288 1.00 0.49 H new ATOM 1233 N LEU A 78 1.758 13.368 -3.410 1.00 0.24 N ATOM 1234 CA LEU A 78 2.718 14.459 -3.468 1.00 0.29 C ATOM 1235 C LEU A 78 4.141 13.928 -3.373 1.00 0.25 C ATOM 1236 O LEU A 78 5.096 14.588 -3.781 1.00 0.35 O ATOM 1237 CB LEU A 78 2.459 15.441 -2.321 1.00 0.47 C ATOM 1238 CG LEU A 78 1.060 16.057 -2.288 1.00 0.55 C ATOM 1239 CD1 LEU A 78 0.879 16.887 -1.029 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.824 16.912 -3.521 1.00 1.00 C ATOM 0 H LEU A 78 1.274 13.285 -2.516 1.00 0.24 H new ATOM 0 HA LEU A 78 2.599 14.973 -4.422 1.00 0.29 H new ATOM 0 HB2 LEU A 78 2.632 14.924 -1.377 1.00 0.47 H new ATOM 0 HB3 LEU A 78 3.191 16.246 -2.383 1.00 0.47 H new ATOM 0 HG LEU A 78 0.328 15.249 -2.283 1.00 0.55 H new ATOM 0 HD11 LEU A 78 -0.121 17.319 -1.019 1.00 1.12 H new ATOM 0 HD12 LEU A 78 1.009 16.252 -0.153 1.00 1.12 H new ATOM 0 HD13 LEU A 78 1.620 17.686 -1.010 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -0.177 17.342 -3.480 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.562 17.713 -3.555 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.917 16.295 -4.415 1.00 1.00 H new ATOM 1252 N LEU A 79 4.268 12.724 -2.842 1.00 0.20 N ATOM 1253 CA LEU A 79 5.571 12.144 -2.566 1.00 0.20 C ATOM 1254 C LEU A 79 6.056 11.245 -3.704 1.00 0.20 C ATOM 1255 O LEU A 79 7.258 11.106 -3.926 1.00 0.22 O ATOM 1256 CB LEU A 79 5.502 11.351 -1.262 1.00 0.22 C ATOM 1257 CG LEU A 79 5.906 12.116 0.005 1.00 0.38 C ATOM 1258 CD1 LEU A 79 4.993 13.309 0.243 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.887 11.189 1.208 1.00 0.75 C ATOM 0 H LEU A 79 3.480 12.126 -2.592 1.00 0.20 H new ATOM 0 HA LEU A 79 6.290 12.958 -2.473 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.483 10.986 -1.134 1.00 0.22 H new ATOM 0 HB3 LEU A 79 6.145 10.476 -1.356 1.00 0.22 H new ATOM 0 HG LEU A 79 6.919 12.491 -0.137 1.00 0.38 H new ATOM 0 HD11 LEU A 79 5.305 13.831 1.148 1.00 0.79 H new ATOM 0 HD12 LEU A 79 5.053 13.989 -0.607 1.00 0.79 H new ATOM 0 HD13 LEU A 79 3.966 12.964 0.359 1.00 0.79 H new ATOM 0 HD21 LEU A 79 6.176 11.745 2.100 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.883 10.786 1.341 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.589 10.370 1.048 1.00 0.75 H new ATOM 1271 N GLY A 80 5.125 10.643 -4.431 1.00 0.20 N ATOM 1272 CA GLY A 80 5.501 9.760 -5.521 1.00 0.22 C ATOM 1273 C GLY A 80 4.636 8.519 -5.576 1.00 0.19 C ATOM 1274 O GLY A 80 4.588 7.837 -6.600 1.00 0.22 O ATOM 0 H GLY A 80 4.121 10.748 -4.288 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.422 10.298 -6.466 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.545 9.468 -5.406 1.00 0.22 H new ATOM 1278 N GLU A 81 3.969 8.236 -4.451 1.00 0.17 N ATOM 1279 CA GLU A 81 2.987 7.152 -4.324 1.00 0.20 C ATOM 1280 C GLU A 81 3.399 5.864 -5.054 1.00 0.16 C ATOM 1281 O GLU A 81 4.407 5.249 -4.706 1.00 0.17 O ATOM 1282 CB GLU A 81 1.584 7.627 -4.759 1.00 0.33 C ATOM 1283 CG GLU A 81 1.550 8.463 -6.032 1.00 0.48 C ATOM 1284 CD GLU A 81 0.145 8.723 -6.536 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.619 7.750 -6.707 1.00 0.58 O ATOM 1286 OE2 GLU A 81 -0.205 9.900 -6.767 1.00 0.41 O ATOM 0 H GLU A 81 4.099 8.763 -3.588 1.00 0.17 H new ATOM 0 HA GLU A 81 2.952 6.891 -3.266 1.00 0.20 H new ATOM 0 HB2 GLU A 81 0.949 6.752 -4.900 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.147 8.210 -3.948 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.045 9.416 -5.847 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.120 7.954 -6.809 1.00 0.48 H new ATOM 1293 N LEU A 82 2.605 5.475 -6.053 1.00 0.16 N ATOM 1294 CA LEU A 82 2.787 4.235 -6.812 1.00 0.18 C ATOM 1295 C LEU A 82 4.256 3.936 -7.141 1.00 0.16 C ATOM 1296 O LEU A 82 4.758 2.850 -6.838 1.00 0.20 O ATOM 1297 CB LEU A 82 1.965 4.275 -8.117 1.00 0.24 C ATOM 1298 CG LEU A 82 2.430 5.262 -9.203 1.00 0.28 C ATOM 1299 CD1 LEU A 82 1.639 5.053 -10.481 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.284 6.699 -8.740 1.00 1.19 C ATOM 0 H LEU A 82 1.802 6.023 -6.364 1.00 0.16 H new ATOM 0 HA LEU A 82 2.431 3.431 -6.168 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.963 3.274 -8.547 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.933 4.514 -7.861 1.00 0.24 H new ATOM 0 HG LEU A 82 3.485 5.069 -9.396 1.00 0.28 H new ATOM 0 HD11 LEU A 82 1.979 5.758 -11.239 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.789 4.035 -10.839 1.00 1.06 H new ATOM 0 HD13 LEU A 82 0.579 5.216 -10.284 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.621 7.371 -9.529 1.00 1.19 H new ATOM 0 HD22 LEU A 82 1.238 6.903 -8.511 1.00 1.19 H new ATOM 0 HD23 LEU A 82 2.888 6.857 -7.847 1.00 1.19 H new ATOM 1312 N ASP A 83 4.947 4.901 -7.733 1.00 0.20 N ATOM 1313 CA ASP A 83 6.312 4.681 -8.188 1.00 0.24 C ATOM 1314 C ASP A 83 7.301 5.152 -7.135 1.00 0.26 C ATOM 1315 O ASP A 83 7.976 6.171 -7.293 1.00 0.56 O ATOM 1316 CB ASP A 83 6.557 5.385 -9.526 1.00 0.34 C ATOM 1317 CG ASP A 83 7.918 5.064 -10.114 1.00 1.21 C ATOM 1318 OD1 ASP A 83 8.207 3.868 -10.334 1.00 1.72 O ATOM 1319 OD2 ASP A 83 8.696 6.003 -10.384 1.00 2.00 O ATOM 0 H ASP A 83 4.587 5.839 -7.908 1.00 0.20 H new ATOM 0 HA ASP A 83 6.459 3.612 -8.341 1.00 0.24 H new ATOM 0 HB2 ASP A 83 5.781 5.092 -10.234 1.00 0.34 H new ATOM 0 HB3 ASP A 83 6.471 6.463 -9.386 1.00 0.34 H new ATOM 1324 N TYR A 84 7.333 4.430 -6.031 1.00 0.21 N ATOM 1325 CA TYR A 84 8.237 4.731 -4.951 1.00 0.19 C ATOM 1326 C TYR A 84 9.324 3.679 -4.848 1.00 0.21 C ATOM 1327 O TYR A 84 9.036 2.487 -4.837 1.00 0.33 O ATOM 1328 CB TYR A 84 7.472 4.804 -3.637 1.00 0.19 C ATOM 1329 CG TYR A 84 7.581 6.144 -2.977 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.821 6.665 -2.666 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.453 6.891 -2.677 1.00 0.19 C ATOM 1332 CE1 TYR A 84 8.944 7.894 -2.067 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.562 8.124 -2.074 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.818 8.621 -1.771 1.00 0.25 C ATOM 1335 OH TYR A 84 7.955 9.842 -1.160 1.00 0.30 O ATOM 0 H TYR A 84 6.733 3.622 -5.863 1.00 0.21 H new ATOM 0 HA TYR A 84 8.703 5.695 -5.155 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.421 4.578 -3.820 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.849 4.038 -2.959 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.709 6.096 -2.898 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.476 6.501 -2.919 1.00 0.19 H new ATOM 0 HE1 TYR A 84 9.922 8.287 -1.830 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.677 8.697 -1.840 1.00 0.21 H new ATOM 0 HH TYR A 84 8.806 10.248 -1.427 1.00 0.30 H new ATOM 1345 N GLN A 85 10.567 4.119 -4.731 1.00 0.27 N ATOM 1346 CA GLN A 85 11.676 3.199 -4.517 1.00 0.28 C ATOM 1347 C GLN A 85 11.786 2.859 -3.030 1.00 0.24 C ATOM 1348 O GLN A 85 12.816 2.371 -2.559 1.00 0.28 O ATOM 1349 CB GLN A 85 12.998 3.790 -5.034 1.00 0.40 C ATOM 1350 CG GLN A 85 13.531 4.974 -4.231 1.00 0.70 C ATOM 1351 CD GLN A 85 12.732 6.249 -4.410 1.00 0.77 C ATOM 1352 OE1 GLN A 85 11.750 6.453 -3.551 1.00 1.74 O flip ATOM 1353 NE2 GLN A 85 12.997 7.047 -5.307 1.00 0.74 N flip ATOM 0 H GLN A 85 10.834 5.102 -4.780 1.00 0.27 H new ATOM 0 HA GLN A 85 11.480 2.286 -5.080 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.753 3.004 -5.039 1.00 0.40 H new ATOM 0 HB3 GLN A 85 12.858 4.105 -6.068 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.540 4.708 -3.174 1.00 0.70 H new ATOM 0 HG3 GLN A 85 14.565 5.161 -4.522 1.00 0.70 H new ATOM 0 HE21 GLN A 85 13.764 6.854 -5.951 1.00 0.74 H new ATOM 0 HE22 GLN A 85 12.450 7.902 -5.407 1.00 0.74 H new ATOM 1362 N LEU A 86 10.675 3.088 -2.327 1.00 0.22 N ATOM 1363 CA LEU A 86 10.559 2.879 -0.875 1.00 0.24 C ATOM 1364 C LEU A 86 11.518 3.756 -0.070 1.00 0.30 C ATOM 1365 O LEU A 86 12.568 4.177 -0.557 1.00 0.34 O ATOM 1366 CB LEU A 86 10.770 1.396 -0.517 1.00 0.25 C ATOM 1367 CG LEU A 86 9.678 0.447 -0.999 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.314 0.952 -0.561 1.00 0.75 C ATOM 1369 CD2 LEU A 86 9.754 0.269 -2.506 1.00 0.86 C ATOM 0 H LEU A 86 9.814 3.430 -2.754 1.00 0.22 H new ATOM 0 HA LEU A 86 9.546 3.176 -0.602 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.722 1.070 -0.936 1.00 0.25 H new ATOM 0 HB3 LEU A 86 10.852 1.309 0.566 1.00 0.25 H new ATOM 0 HG LEU A 86 9.832 -0.532 -0.546 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.542 0.266 -0.911 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.280 1.012 0.527 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.139 1.941 -0.984 1.00 0.75 H new ATOM 0 HD21 LEU A 86 8.967 -0.411 -2.832 1.00 0.86 H new ATOM 0 HD22 LEU A 86 9.623 1.235 -2.994 1.00 0.86 H new ATOM 0 HD23 LEU A 86 10.726 -0.145 -2.775 1.00 0.86 H new ATOM 1381 N GLN A 87 11.117 4.072 1.151 1.00 0.39 N ATOM 1382 CA GLN A 87 11.993 4.729 2.102 1.00 0.51 C ATOM 1383 C GLN A 87 12.061 3.854 3.349 1.00 0.76 C ATOM 1384 O GLN A 87 11.230 2.964 3.529 1.00 1.74 O ATOM 1385 CB GLN A 87 11.484 6.136 2.450 1.00 0.46 C ATOM 1386 CG GLN A 87 11.115 6.980 1.238 1.00 0.86 C ATOM 1387 CD GLN A 87 9.614 7.194 1.107 1.00 0.65 C ATOM 1388 OE1 GLN A 87 8.937 6.260 0.455 1.00 1.18 O flip ATOM 1389 NE2 GLN A 87 9.067 8.179 1.603 1.00 0.48 N flip ATOM 0 H GLN A 87 10.181 3.881 1.507 1.00 0.39 H new ATOM 0 HA GLN A 87 12.986 4.853 1.669 1.00 0.51 H new ATOM 0 HB2 GLN A 87 10.611 6.045 3.096 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.251 6.657 3.022 1.00 0.46 H new ATOM 0 HG2 GLN A 87 11.611 7.948 1.310 1.00 0.86 H new ATOM 0 HG3 GLN A 87 11.489 6.496 0.336 1.00 0.86 H new ATOM 0 HE21 GLN A 87 9.623 8.876 2.098 1.00 0.48 H new ATOM 0 HE22 GLN A 87 8.057 8.298 1.519 1.00 0.48 H new ATOM 1398 N ASP A 88 13.047 4.073 4.196 1.00 0.43 N ATOM 1399 CA ASP A 88 13.238 3.204 5.344 1.00 0.40 C ATOM 1400 C ASP A 88 12.177 3.466 6.407 1.00 0.32 C ATOM 1401 O ASP A 88 11.884 4.616 6.744 1.00 0.36 O ATOM 1402 CB ASP A 88 14.647 3.366 5.925 1.00 0.56 C ATOM 1403 CG ASP A 88 14.927 4.769 6.429 1.00 1.40 C ATOM 1404 OD1 ASP A 88 14.995 5.703 5.602 1.00 2.44 O ATOM 1405 OD2 ASP A 88 15.060 4.949 7.657 1.00 1.53 O ATOM 0 H ASP A 88 13.721 4.834 4.115 1.00 0.43 H new ATOM 0 HA ASP A 88 13.130 2.173 5.007 1.00 0.40 H new ATOM 0 HB2 ASP A 88 14.779 2.659 6.744 1.00 0.56 H new ATOM 0 HB3 ASP A 88 15.380 3.108 5.161 1.00 0.56 H new ATOM 1410 N GLN A 89 11.607 2.376 6.921 1.00 0.31 N ATOM 1411 CA GLN A 89 10.536 2.426 7.900 1.00 0.34 C ATOM 1412 C GLN A 89 9.349 3.243 7.409 1.00 0.34 C ATOM 1413 O GLN A 89 8.734 4.000 8.167 1.00 0.42 O ATOM 1414 CB GLN A 89 11.055 2.930 9.244 1.00 0.40 C ATOM 1415 CG GLN A 89 11.744 1.838 10.044 1.00 0.62 C ATOM 1416 CD GLN A 89 13.083 1.405 9.477 1.00 0.77 C ATOM 1417 OE1 GLN A 89 14.126 1.969 9.804 1.00 1.56 O ATOM 1418 NE2 GLN A 89 13.063 0.376 8.642 1.00 0.71 N ATOM 0 H GLN A 89 11.882 1.428 6.663 1.00 0.31 H new ATOM 0 HA GLN A 89 10.172 1.409 8.042 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.753 3.750 9.077 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.224 3.332 9.824 1.00 0.40 H new ATOM 0 HG2 GLN A 89 11.891 2.189 11.066 1.00 0.62 H new ATOM 0 HG3 GLN A 89 11.086 0.971 10.096 1.00 0.62 H new ATOM 0 HE21 GLN A 89 12.176 -0.064 8.396 1.00 0.71 H new ATOM 0 HE22 GLN A 89 13.934 0.024 8.245 1.00 0.71 H new ATOM 1427 N ASP A 90 9.026 3.067 6.135 1.00 0.30 N ATOM 1428 CA ASP A 90 7.814 3.637 5.567 1.00 0.34 C ATOM 1429 C ASP A 90 6.592 2.968 6.158 1.00 0.32 C ATOM 1430 O ASP A 90 6.429 1.754 6.053 1.00 0.45 O ATOM 1431 CB ASP A 90 7.767 3.452 4.048 1.00 0.45 C ATOM 1432 CG ASP A 90 8.515 4.496 3.281 1.00 0.75 C ATOM 1433 OD1 ASP A 90 8.842 5.523 3.899 1.00 1.17 O ATOM 1434 OD2 ASP A 90 8.803 4.284 2.084 1.00 1.06 O ATOM 0 H ASP A 90 9.589 2.532 5.474 1.00 0.30 H new ATOM 0 HA ASP A 90 7.820 4.701 5.802 1.00 0.34 H new ATOM 0 HB2 ASP A 90 8.175 2.472 3.800 1.00 0.45 H new ATOM 0 HB3 ASP A 90 6.726 3.455 3.725 1.00 0.45 H new ATOM 1439 N SER A 91 5.741 3.750 6.788 1.00 0.23 N ATOM 1440 CA SER A 91 4.453 3.258 7.201 1.00 0.21 C ATOM 1441 C SER A 91 3.453 3.571 6.106 1.00 0.17 C ATOM 1442 O SER A 91 2.958 4.691 6.007 1.00 0.17 O ATOM 1443 CB SER A 91 4.032 3.914 8.507 1.00 0.25 C ATOM 1444 OG SER A 91 2.820 3.374 9.005 1.00 1.14 O ATOM 0 H SER A 91 5.921 4.726 7.023 1.00 0.23 H new ATOM 0 HA SER A 91 4.499 2.182 7.367 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.819 3.783 9.249 1.00 0.25 H new ATOM 0 HB3 SER A 91 3.915 4.987 8.353 1.00 0.25 H new ATOM 0 HG SER A 91 2.576 3.831 9.837 1.00 1.14 H new ATOM 1450 N ILE A 92 3.202 2.595 5.262 1.00 0.17 N ATOM 1451 CA ILE A 92 2.290 2.775 4.152 1.00 0.15 C ATOM 1452 C ILE A 92 0.896 2.369 4.591 1.00 0.14 C ATOM 1453 O ILE A 92 0.610 1.186 4.769 1.00 0.17 O ATOM 1454 CB ILE A 92 2.714 1.940 2.922 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.218 2.095 2.646 1.00 0.19 C ATOM 1456 CG2 ILE A 92 1.912 2.348 1.697 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.681 3.534 2.501 1.00 0.21 C ATOM 0 H ILE A 92 3.618 1.665 5.323 1.00 0.17 H new ATOM 0 HA ILE A 92 2.307 3.825 3.859 1.00 0.15 H new ATOM 0 HB ILE A 92 2.510 0.892 3.141 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.775 1.626 3.458 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.466 1.552 1.734 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.225 1.749 0.841 1.00 0.19 H new ATOM 0 HG22 ILE A 92 0.851 2.185 1.886 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.084 3.403 1.484 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.754 3.553 2.308 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.154 4.004 1.670 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.468 4.079 3.420 1.00 0.21 H new ATOM 1469 N LEU A 93 0.035 3.348 4.782 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.280 3.086 5.331 1.00 0.14 C ATOM 1471 C LEU A 93 -2.369 3.396 4.320 1.00 0.14 C ATOM 1472 O LEU A 93 -2.420 4.490 3.764 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.510 3.918 6.597 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.244 3.189 7.727 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.666 4.163 8.814 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.448 2.446 7.184 1.00 0.56 C ATOM 0 H LEU A 93 0.221 4.328 4.566 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.326 2.026 5.581 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.544 4.257 6.971 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -2.079 4.809 6.330 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.558 2.465 8.167 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -3.185 3.622 9.605 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.784 4.652 9.227 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -3.332 4.914 8.390 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -3.958 1.934 8.000 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -4.132 3.154 6.716 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -3.121 1.715 6.445 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.240 2.424 4.093 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.406 2.627 3.258 1.00 0.14 C ATOM 1490 C PHE A 94 -5.575 3.114 4.110 1.00 0.13 C ATOM 1491 O PHE A 94 -6.075 2.394 4.983 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.786 1.327 2.544 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.752 0.849 1.561 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.550 0.316 1.999 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.981 0.936 0.199 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.599 -0.117 1.098 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -3.029 0.504 -0.706 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.837 -0.022 -0.257 1.00 0.33 C ATOM 0 H PHE A 94 -3.157 1.484 4.479 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.171 3.381 2.506 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.952 0.549 3.289 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.731 1.474 2.021 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.355 0.239 3.058 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.913 1.346 -0.161 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.667 -0.531 1.454 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -3.220 0.579 -1.766 1.00 0.31 H new ATOM 0 HZ PHE A 94 -1.092 -0.358 -0.963 1.00 0.33 H new ATOM 1508 N ILE A 95 -6.014 4.330 3.845 1.00 0.13 N ATOM 1509 CA ILE A 95 -7.111 4.935 4.579 1.00 0.17 C ATOM 1510 C ILE A 95 -8.267 5.228 3.638 1.00 0.18 C ATOM 1511 O ILE A 95 -8.210 6.166 2.848 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.673 6.248 5.269 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.560 5.976 6.285 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -7.857 6.929 5.947 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -5.981 5.045 7.398 1.00 1.16 C ATOM 0 H ILE A 95 -5.621 4.926 3.116 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.425 4.228 5.347 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.287 6.920 4.502 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -4.702 5.547 5.767 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.232 6.922 6.716 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.522 7.850 6.425 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.618 7.162 5.202 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.278 6.262 6.699 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -5.146 4.895 8.082 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -6.820 5.482 7.940 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -6.281 4.086 6.976 1.00 1.16 H new ATOM 1527 N SER A 96 -9.304 4.412 3.704 1.00 0.20 N ATOM 1528 CA SER A 96 -10.465 4.627 2.869 1.00 0.24 C ATOM 1529 C SER A 96 -11.275 5.790 3.405 1.00 0.28 C ATOM 1530 O SER A 96 -11.827 5.722 4.502 1.00 0.35 O ATOM 1531 CB SER A 96 -11.317 3.360 2.803 1.00 0.31 C ATOM 1532 OG SER A 96 -12.482 3.557 2.015 1.00 0.37 O ATOM 0 H SER A 96 -9.363 3.603 4.322 1.00 0.20 H new ATOM 0 HA SER A 96 -10.136 4.866 1.858 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.727 2.545 2.384 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.604 3.061 3.811 1.00 0.31 H new ATOM 0 HG SER A 96 -13.005 2.728 1.991 1.00 0.37 H new ATOM 1538 N THR A 97 -11.354 6.856 2.629 1.00 0.27 N ATOM 1539 CA THR A 97 -12.063 8.037 3.063 1.00 0.36 C ATOM 1540 C THR A 97 -13.488 8.013 2.513 1.00 0.48 C ATOM 1541 O THR A 97 -14.257 8.959 2.680 1.00 0.58 O ATOM 1542 CB THR A 97 -11.318 9.330 2.651 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.770 10.437 3.442 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.516 9.650 1.175 1.00 0.35 C ATOM 0 H THR A 97 -10.937 6.924 1.701 1.00 0.27 H new ATOM 0 HA THR A 97 -12.109 8.035 4.152 1.00 0.36 H new ATOM 0 HB THR A 97 -10.255 9.161 2.824 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.748 10.419 3.501 1.00 0.43 H new ATOM 0 HG21 THR A 97 -10.978 10.564 0.926 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.134 8.828 0.570 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.578 9.787 0.972 1.00 0.35 H new ATOM 1552 N LEU A 98 -13.836 6.894 1.875 1.00 0.53 N ATOM 1553 CA LEU A 98 -15.195 6.670 1.397 1.00 0.70 C ATOM 1554 C LEU A 98 -16.158 6.612 2.574 1.00 0.79 C ATOM 1555 O LEU A 98 -17.345 6.902 2.440 1.00 1.27 O ATOM 1556 CB LEU A 98 -15.276 5.370 0.593 1.00 0.98 C ATOM 1557 CG LEU A 98 -14.500 5.371 -0.727 1.00 0.82 C ATOM 1558 CD1 LEU A 98 -14.555 3.996 -1.380 1.00 0.94 C ATOM 1559 CD2 LEU A 98 -15.055 6.429 -1.669 1.00 1.09 C ATOM 0 H LEU A 98 -13.191 6.129 1.679 1.00 0.53 H new ATOM 0 HA LEU A 98 -15.473 7.499 0.746 1.00 0.70 H new ATOM 0 HB2 LEU A 98 -14.905 4.554 1.213 1.00 0.98 H new ATOM 0 HB3 LEU A 98 -16.324 5.158 0.380 1.00 0.98 H new ATOM 0 HG LEU A 98 -13.458 5.610 -0.514 1.00 0.82 H new ATOM 0 HD11 LEU A 98 -13.998 4.016 -2.317 1.00 0.94 H new ATOM 0 HD12 LEU A 98 -14.113 3.258 -0.711 1.00 0.94 H new ATOM 0 HD13 LEU A 98 -15.593 3.730 -1.580 1.00 0.94 H new ATOM 0 HD21 LEU A 98 -14.492 6.416 -2.602 1.00 1.09 H new ATOM 0 HD22 LEU A 98 -16.104 6.218 -1.875 1.00 1.09 H new ATOM 0 HD23 LEU A 98 -14.967 7.411 -1.205 1.00 1.09 H new ATOM 1571 N HIS A 99 -15.630 6.233 3.730 1.00 1.41 N ATOM 1572 CA HIS A 99 -16.406 6.215 4.956 1.00 1.74 C ATOM 1573 C HIS A 99 -15.564 6.756 6.109 1.00 2.61 C ATOM 1574 O HIS A 99 -14.678 6.078 6.626 1.00 3.47 O ATOM 1575 CB HIS A 99 -16.944 4.802 5.265 1.00 2.60 C ATOM 1576 CG HIS A 99 -15.894 3.756 5.509 1.00 3.33 C ATOM 1577 ND1 HIS A 99 -15.700 3.162 6.733 1.00 4.18 N ATOM 1578 CD2 HIS A 99 -14.987 3.197 4.675 1.00 3.94 C ATOM 1579 CE1 HIS A 99 -14.721 2.286 6.647 1.00 5.03 C ATOM 1580 NE2 HIS A 99 -14.264 2.284 5.406 1.00 4.93 N ATOM 0 H HIS A 99 -14.662 5.933 3.841 1.00 1.41 H new ATOM 0 HA HIS A 99 -17.274 6.861 4.826 1.00 1.74 H new ATOM 0 HB2 HIS A 99 -17.587 4.860 6.143 1.00 2.60 H new ATOM 0 HB3 HIS A 99 -17.569 4.479 4.433 1.00 2.60 H new ATOM 0 HD2 HIS A 99 -14.855 3.426 3.628 1.00 3.94 H new ATOM 0 HE1 HIS A 99 -14.353 1.672 7.455 1.00 5.03 H new ATOM 0 HE2 HIS A 99 -13.504 1.704 5.051 1.00 4.93 H new ATOM 1589 N GLY A 100 -15.815 8.002 6.473 1.00 3.03 N ATOM 1590 CA GLY A 100 -15.093 8.612 7.569 1.00 4.27 C ATOM 1591 C GLY A 100 -15.843 8.462 8.870 1.00 4.88 C ATOM 1592 O GLY A 100 -15.242 8.309 9.937 1.00 5.56 O ATOM 0 H GLY A 100 -16.508 8.604 6.028 1.00 3.03 H new ATOM 0 HA2 GLY A 100 -14.109 8.153 7.659 1.00 4.27 H new ATOM 0 HA3 GLY A 100 -14.933 9.670 7.358 1.00 4.27 H new ATOM 1596 N GLY A 101 -17.162 8.487 8.768 1.00 5.05 N ATOM 1597 CA GLY A 101 -18.014 8.320 9.920 1.00 6.01 C ATOM 1598 C GLY A 101 -19.403 7.906 9.497 1.00 6.44 C ATOM 1599 O GLY A 101 -19.804 8.259 8.369 1.00 6.66 O ATOM 1600 OXT GLY A 101 -20.100 7.226 10.271 1.00 6.91 O ATOM 0 H GLY A 101 -17.663 8.623 7.890 1.00 5.05 H new ATOM 0 HA2 GLY A 101 -17.591 7.568 10.586 1.00 6.01 H new ATOM 0 HA3 GLY A 101 -18.062 9.253 10.482 1.00 6.01 H new TER 1604 GLY A 101