USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot 180:sc= 0.0346 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.109 K(o=0.14,f=-1) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -160:sc= 0.608 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.55 USER MOD Single : A 1 MET CE :methyl -163:sc= 0 (180deg=-0.209) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.27 (180deg=1.06) USER MOD Single : A 2 GLN :FLIP amide:sc= 1.03 F(o=-0.035,f=1) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.402 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0056 USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= 0.837 (180deg=-0.242!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 27 LYS NZ :NH3+ -135:sc= 1.54 (180deg=-1.25!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0927 K(o=-0.093,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 41 GLN : amide:sc= 0.892 K(o=0.89,f=-2.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0208 K(o=-0.021,f=-1.8) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.625 USER MOD Single : A 60 ASN : amide:sc= -0.0506 X(o=-0.051,f=-0.025) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= 1.18 (180deg=0.76) USER MOD Single : A 65 SER OG : rot 120:sc= 0.837 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.262 -3.890 -3.875 1.00 0.78 N ATOM 2 CA MET A 1 12.947 -4.555 -2.592 1.00 0.70 C ATOM 3 C MET A 1 11.588 -5.165 -2.578 1.00 0.62 C ATOM 4 O MET A 1 10.740 -4.872 -3.419 1.00 0.68 O ATOM 5 CB MET A 1 13.138 -3.531 -1.458 1.00 0.75 C ATOM 6 CG MET A 1 12.274 -2.272 -1.363 1.00 0.79 C ATOM 7 SD MET A 1 12.610 -1.267 0.114 1.00 1.10 S ATOM 8 CE MET A 1 11.303 -0.022 -0.081 1.00 0.84 C ATOM 0 H1 MET A 1 14.002 -3.175 -3.723 1.00 0.78 H new ATOM 0 H2 MET A 1 13.599 -4.597 -4.559 1.00 0.78 H new ATOM 0 H3 MET A 1 12.407 -3.429 -4.246 1.00 0.78 H new ATOM 0 HA MET A 1 13.630 -5.392 -2.448 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.015 -4.071 -0.519 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.176 -3.200 -1.501 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.437 -1.662 -2.252 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.223 -2.562 -1.363 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.526 0.841 0.546 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.251 0.291 -1.124 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.346 -0.449 0.218 1.00 0.84 H new ATOM 20 N GLN A 2 11.266 -6.114 -1.681 1.00 0.59 N ATOM 21 CA GLN A 2 9.970 -6.713 -1.590 1.00 0.56 C ATOM 22 C GLN A 2 9.239 -6.247 -0.378 1.00 0.50 C ATOM 23 O GLN A 2 9.808 -6.177 0.709 1.00 0.60 O ATOM 24 CB GLN A 2 10.142 -8.236 -1.475 1.00 0.71 C ATOM 25 CG GLN A 2 8.782 -8.919 -1.315 1.00 1.15 C ATOM 26 CD GLN A 2 8.882 -10.437 -1.329 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.279 -11.005 -2.499 1.00 1.87 O flip ATOM 28 NE2 GLN A 2 8.660 -11.040 -0.279 1.00 1.72 N flip ATOM 0 H GLN A 2 11.929 -6.477 -0.996 1.00 0.59 H new ATOM 0 HA GLN A 2 9.402 -6.434 -2.478 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.646 -8.619 -2.363 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.777 -8.473 -0.621 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.327 -8.598 -0.378 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.121 -8.595 -2.119 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.365 -10.526 0.551 1.00 1.72 H new ATOM 0 HE22 GLN A 2 8.771 -12.053 -0.239 1.00 1.72 H new ATOM 37 N ILE A 3 7.944 -5.903 -0.494 1.00 0.44 N ATOM 38 CA ILE A 3 7.113 -5.570 0.623 1.00 0.42 C ATOM 39 C ILE A 3 5.834 -6.331 0.553 1.00 0.40 C ATOM 40 O ILE A 3 5.507 -7.002 -0.424 1.00 0.50 O ATOM 41 CB ILE A 3 6.772 -4.112 0.698 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.012 -3.554 -0.517 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.090 -3.330 0.828 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.310 -2.279 -0.052 1.00 0.72 C ATOM 0 H ILE A 3 7.460 -5.855 -1.391 1.00 0.44 H new ATOM 0 HA ILE A 3 7.690 -5.831 1.510 1.00 0.42 H new ATOM 0 HB ILE A 3 6.105 -3.998 1.552 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.698 -3.341 -1.337 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.289 -4.280 -0.887 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.876 -2.263 0.885 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.612 -3.644 1.732 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.718 -3.528 -0.041 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.755 -1.845 -0.884 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.621 -2.518 0.758 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.052 -1.563 0.302 1.00 0.72 H new ATOM 56 N PHE A 4 5.048 -6.234 1.640 1.00 0.37 N ATOM 57 CA PHE A 4 3.775 -6.869 1.785 1.00 0.38 C ATOM 58 C PHE A 4 2.651 -5.916 2.013 1.00 0.39 C ATOM 59 O PHE A 4 2.867 -4.841 2.570 1.00 0.60 O ATOM 60 CB PHE A 4 3.675 -7.967 2.857 1.00 0.45 C ATOM 61 CG PHE A 4 4.791 -8.944 2.721 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.754 -9.929 1.763 1.00 1.30 C ATOM 63 CD2 PHE A 4 5.959 -8.737 3.417 1.00 1.16 C ATOM 64 CE1 PHE A 4 5.907 -10.655 1.583 1.00 1.40 C ATOM 65 CE2 PHE A 4 7.095 -9.490 3.235 1.00 1.23 C ATOM 66 CZ PHE A 4 7.053 -10.524 2.332 1.00 0.85 C ATOM 0 H PHE A 4 5.314 -5.686 2.458 1.00 0.37 H new ATOM 0 HA PHE A 4 3.682 -7.349 0.811 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.700 -7.516 3.849 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.720 -8.484 2.766 1.00 0.45 H new ATOM 0 HD1 PHE A 4 3.865 -10.122 1.182 1.00 1.30 H new ATOM 0 HD2 PHE A 4 5.985 -7.940 4.146 1.00 1.16 H new ATOM 0 HE1 PHE A 4 5.914 -11.387 0.789 1.00 1.40 H new ATOM 0 HE2 PHE A 4 7.997 -9.274 3.788 1.00 1.23 H new ATOM 0 HZ PHE A 4 7.884 -11.204 2.215 1.00 0.85 H new ATOM 76 N VAL A 5 1.416 -6.196 1.561 1.00 0.35 N ATOM 77 CA VAL A 5 0.270 -5.378 1.808 1.00 0.35 C ATOM 78 C VAL A 5 -0.797 -6.333 2.219 1.00 0.35 C ATOM 79 O VAL A 5 -1.052 -7.365 1.599 1.00 0.46 O ATOM 80 CB VAL A 5 -0.253 -4.764 0.543 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.599 -4.043 0.724 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.841 -3.770 0.118 1.00 0.56 C ATOM 0 H VAL A 5 1.208 -7.024 1.002 1.00 0.35 H new ATOM 0 HA VAL A 5 0.525 -4.598 2.526 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.454 -5.533 -0.203 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.918 -3.623 -0.230 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.347 -4.753 1.076 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.487 -3.241 1.454 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.542 -3.272 -0.804 1.00 0.56 H new ATOM 0 HG22 VAL A 5 0.982 -3.027 0.903 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.776 -4.306 -0.046 1.00 0.56 H new ATOM 92 N LYS A 6 -1.288 -5.974 3.418 1.00 0.36 N ATOM 93 CA LYS A 6 -2.305 -6.766 4.039 1.00 0.39 C ATOM 94 C LYS A 6 -3.702 -6.340 3.743 1.00 0.46 C ATOM 95 O LYS A 6 -3.971 -5.146 3.860 1.00 0.53 O ATOM 96 CB LYS A 6 -2.084 -6.769 5.562 1.00 0.54 C ATOM 97 CG LYS A 6 -2.520 -8.072 6.235 1.00 1.22 C ATOM 98 CD LYS A 6 -1.512 -9.210 6.060 1.00 1.37 C ATOM 99 CE LYS A 6 -1.703 -10.259 7.157 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.716 -11.350 6.999 1.00 2.09 N ATOM 0 H LYS A 6 -0.990 -5.155 3.948 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.206 -7.765 3.613 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.028 -6.597 5.769 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.635 -5.938 6.004 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -2.671 -7.890 7.299 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.481 -8.381 5.824 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.639 -9.671 5.080 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.497 -8.815 6.097 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -1.590 -9.796 8.137 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.714 -10.664 7.111 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -1.049 -12.195 7.506 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.604 -11.573 5.989 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.199 -11.049 7.391 1.00 2.09 H new ATOM 114 N THR A 7 -4.651 -7.242 3.438 1.00 0.58 N ATOM 115 CA THR A 7 -5.951 -6.792 3.048 1.00 0.78 C ATOM 116 C THR A 7 -6.784 -6.493 4.248 1.00 0.94 C ATOM 117 O THR A 7 -6.411 -6.434 5.419 1.00 0.99 O ATOM 118 CB THR A 7 -6.554 -7.655 1.980 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.832 -8.923 2.557 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.379 -7.796 0.997 1.00 0.92 C ATOM 0 H THR A 7 -4.526 -8.254 3.460 1.00 0.58 H new ATOM 0 HA THR A 7 -5.879 -5.831 2.539 1.00 0.78 H new ATOM 0 HB THR A 7 -7.468 -7.270 1.528 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.230 -9.510 1.881 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.684 -8.414 0.152 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.085 -6.810 0.638 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.535 -8.265 1.503 1.00 0.92 H new ATOM 128 N LEU A 8 -8.067 -6.242 3.938 1.00 1.17 N ATOM 129 CA LEU A 8 -9.079 -5.986 4.915 1.00 1.39 C ATOM 130 C LEU A 8 -9.327 -7.140 5.824 1.00 1.44 C ATOM 131 O LEU A 8 -9.374 -7.081 7.052 1.00 1.60 O ATOM 132 CB LEU A 8 -10.425 -5.585 4.289 1.00 1.66 C ATOM 133 CG LEU A 8 -10.529 -4.323 3.418 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.943 -4.026 2.890 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.960 -3.075 4.112 1.00 2.43 C ATOM 0 H LEU A 8 -8.412 -6.216 2.978 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.678 -5.153 5.492 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.762 -6.425 3.682 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -11.140 -5.474 5.104 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.911 -4.559 2.552 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.923 -3.119 2.286 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -12.286 -4.861 2.279 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.623 -3.887 3.730 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -10.060 -2.214 3.451 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.509 -2.890 5.035 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.907 -3.235 4.343 1.00 2.43 H new ATOM 147 N THR A 9 -9.512 -8.305 5.177 1.00 1.41 N ATOM 148 CA THR A 9 -9.737 -9.522 5.894 1.00 1.51 C ATOM 149 C THR A 9 -8.482 -10.238 6.259 1.00 1.37 C ATOM 150 O THR A 9 -8.273 -10.652 7.398 1.00 1.62 O ATOM 151 CB THR A 9 -10.659 -10.378 5.078 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.165 -10.629 3.771 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.993 -9.669 4.784 1.00 2.08 C ATOM 0 H THR A 9 -9.506 -8.404 4.162 1.00 1.41 H new ATOM 0 HA THR A 9 -10.197 -9.282 6.852 1.00 1.51 H new ATOM 0 HB THR A 9 -10.761 -11.282 5.678 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.802 -11.192 3.283 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.630 -10.325 4.191 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.492 -9.430 5.723 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.802 -8.750 4.230 1.00 2.08 H new ATOM 161 N GLY A 10 -7.480 -10.363 5.371 1.00 1.18 N ATOM 162 CA GLY A 10 -6.292 -11.022 5.816 1.00 1.22 C ATOM 163 C GLY A 10 -5.248 -11.464 4.850 1.00 0.99 C ATOM 164 O GLY A 10 -4.226 -11.973 5.306 1.00 1.31 O ATOM 0 H GLY A 10 -7.484 -10.032 4.406 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.805 -10.355 6.528 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.607 -11.906 6.371 1.00 1.22 H new ATOM 168 N LYS A 11 -5.438 -11.322 3.526 1.00 0.73 N ATOM 169 CA LYS A 11 -4.549 -11.851 2.539 1.00 0.60 C ATOM 170 C LYS A 11 -3.245 -11.136 2.452 1.00 0.51 C ATOM 171 O LYS A 11 -3.175 -9.910 2.523 1.00 0.63 O ATOM 172 CB LYS A 11 -5.201 -11.834 1.146 1.00 0.75 C ATOM 173 CG LYS A 11 -4.646 -12.827 0.122 1.00 0.87 C ATOM 174 CD LYS A 11 -5.559 -12.867 -1.105 1.00 1.04 C ATOM 175 CE LYS A 11 -5.734 -11.517 -1.803 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.373 -11.698 -3.126 1.00 1.40 N ATOM 0 H LYS A 11 -6.235 -10.824 3.130 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.347 -12.872 2.864 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.267 -12.027 1.266 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.103 -10.829 0.735 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.638 -12.535 -0.172 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.574 -13.820 0.566 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.155 -13.583 -1.821 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.539 -13.236 -0.802 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -6.343 -10.857 -1.185 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.764 -11.035 -1.924 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -6.959 -10.867 -3.345 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.639 -11.806 -3.854 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.971 -12.549 -3.109 1.00 1.40 H new ATOM 190 N THR A 12 -2.144 -11.906 2.401 1.00 0.49 N ATOM 191 CA THR A 12 -0.879 -11.258 2.237 1.00 0.48 C ATOM 192 C THR A 12 -0.569 -11.152 0.784 1.00 0.52 C ATOM 193 O THR A 12 -0.254 -12.160 0.152 1.00 0.72 O ATOM 194 CB THR A 12 0.224 -12.039 2.890 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.021 -12.315 4.261 1.00 0.77 O ATOM 196 CG2 THR A 12 1.496 -11.173 2.893 1.00 0.78 C ATOM 0 H THR A 12 -2.123 -12.924 2.469 1.00 0.49 H new ATOM 0 HA THR A 12 -0.943 -10.274 2.702 1.00 0.48 H new ATOM 0 HB THR A 12 0.309 -12.971 2.331 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.729 -12.826 4.631 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.310 -11.724 3.364 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.771 -10.926 1.867 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.310 -10.255 3.450 1.00 0.78 H new ATOM 204 N ILE A 13 -0.586 -9.931 0.219 1.00 0.48 N ATOM 205 CA ILE A 13 -0.224 -9.643 -1.134 1.00 0.55 C ATOM 206 C ILE A 13 1.218 -9.266 -1.137 1.00 0.51 C ATOM 207 O ILE A 13 1.640 -8.436 -0.334 1.00 0.56 O ATOM 208 CB ILE A 13 -1.056 -8.499 -1.634 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.539 -8.577 -1.236 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.844 -8.500 -3.157 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.269 -7.340 -1.760 1.00 1.55 C ATOM 0 H ILE A 13 -0.868 -9.099 0.736 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.393 -10.504 -1.780 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.742 -7.561 -1.175 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.990 -9.481 -1.646 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.634 -8.637 -0.152 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.420 -7.690 -3.605 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.214 -8.358 -3.377 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.176 -9.453 -3.570 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.321 -7.392 -1.479 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.822 -6.444 -1.329 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.185 -7.301 -2.846 1.00 1.55 H new ATOM 223 N THR A 14 1.992 -9.800 -2.098 1.00 0.55 N ATOM 224 CA THR A 14 3.387 -9.541 -2.273 1.00 0.54 C ATOM 225 C THR A 14 3.624 -8.587 -3.393 1.00 0.55 C ATOM 226 O THR A 14 3.134 -8.763 -4.506 1.00 0.72 O ATOM 227 CB THR A 14 4.185 -10.802 -2.424 1.00 0.67 C ATOM 228 OG1 THR A 14 3.940 -11.747 -1.393 1.00 1.08 O ATOM 229 CG2 THR A 14 5.691 -10.494 -2.392 1.00 1.03 C ATOM 0 H THR A 14 1.623 -10.450 -2.792 1.00 0.55 H new ATOM 0 HA THR A 14 3.743 -9.064 -1.360 1.00 0.54 H new ATOM 0 HB THR A 14 3.875 -11.225 -3.379 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.486 -12.546 -1.546 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.254 -11.421 -2.503 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.941 -9.817 -3.209 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.946 -10.026 -1.441 1.00 1.03 H new ATOM 237 N LEU A 15 4.381 -7.506 -3.130 1.00 0.50 N ATOM 238 CA LEU A 15 4.644 -6.491 -4.101 1.00 0.55 C ATOM 239 C LEU A 15 6.124 -6.357 -4.212 1.00 0.52 C ATOM 240 O LEU A 15 6.876 -6.712 -3.305 1.00 0.58 O ATOM 241 CB LEU A 15 3.980 -5.172 -3.670 1.00 0.69 C ATOM 242 CG LEU A 15 2.464 -5.243 -3.418 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.810 -3.919 -2.989 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.642 -5.660 -4.650 1.00 1.55 C ATOM 0 H LEU A 15 4.819 -7.334 -2.225 1.00 0.50 H new ATOM 0 HA LEU A 15 4.229 -6.752 -5.075 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.466 -4.822 -2.759 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.168 -4.423 -4.439 1.00 0.69 H new ATOM 0 HG LEU A 15 2.434 -5.984 -2.619 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.742 -4.074 -2.836 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.263 -3.574 -2.060 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.961 -3.170 -3.767 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.584 -5.686 -4.390 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.800 -4.941 -5.453 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.959 -6.649 -4.981 1.00 1.55 H new ATOM 256 N GLU A 16 6.613 -5.849 -5.357 1.00 0.59 N ATOM 257 CA GLU A 16 7.948 -5.398 -5.601 1.00 0.63 C ATOM 258 C GLU A 16 8.098 -3.916 -5.634 1.00 0.65 C ATOM 259 O GLU A 16 7.473 -3.305 -6.499 1.00 0.81 O ATOM 260 CB GLU A 16 8.573 -6.022 -6.860 1.00 0.76 C ATOM 261 CG GLU A 16 10.103 -6.034 -6.821 1.00 1.41 C ATOM 262 CD GLU A 16 10.723 -6.631 -8.075 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.176 -7.345 -8.958 1.00 1.95 O ATOM 264 OE2 GLU A 16 11.965 -6.416 -8.110 1.00 1.92 O ATOM 0 H GLU A 16 6.022 -5.746 -6.182 1.00 0.59 H new ATOM 0 HA GLU A 16 8.501 -5.753 -4.731 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.209 -7.043 -6.972 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.241 -5.467 -7.738 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.466 -5.014 -6.693 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.435 -6.602 -5.952 1.00 1.41 H new ATOM 271 N VAL A 17 8.932 -3.215 -4.846 1.00 0.61 N ATOM 272 CA VAL A 17 8.943 -1.792 -4.982 1.00 0.63 C ATOM 273 C VAL A 17 10.386 -1.447 -4.840 1.00 0.65 C ATOM 274 O VAL A 17 11.217 -2.218 -4.362 1.00 0.76 O ATOM 275 CB VAL A 17 8.231 -1.101 -3.857 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.705 -1.280 -3.907 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.812 -1.520 -2.496 1.00 0.92 C ATOM 0 H VAL A 17 9.567 -3.606 -4.150 1.00 0.61 H new ATOM 0 HA VAL A 17 8.462 -1.492 -5.913 1.00 0.63 H new ATOM 0 HB VAL A 17 8.407 -0.033 -3.986 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.250 -0.756 -3.066 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.321 -0.870 -4.841 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.461 -2.341 -3.849 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.278 -1.004 -1.698 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.702 -2.597 -2.369 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.869 -1.256 -2.455 1.00 0.92 H new ATOM 287 N GLU A 18 10.760 -0.239 -5.299 1.00 0.68 N ATOM 288 CA GLU A 18 12.008 0.407 -5.036 1.00 0.74 C ATOM 289 C GLU A 18 11.632 1.567 -4.178 1.00 0.71 C ATOM 290 O GLU A 18 10.469 1.946 -4.298 1.00 0.74 O ATOM 291 CB GLU A 18 12.726 0.897 -6.304 1.00 0.88 C ATOM 292 CG GLU A 18 13.180 -0.179 -7.293 1.00 1.16 C ATOM 293 CD GLU A 18 14.320 -1.056 -6.796 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.341 -0.477 -6.340 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.212 -2.307 -6.688 1.00 2.33 O ATOM 0 H GLU A 18 10.149 0.322 -5.893 1.00 0.68 H new ATOM 0 HA GLU A 18 12.712 -0.283 -4.572 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.061 1.583 -6.829 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.601 1.471 -6.000 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.328 -0.815 -7.534 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.489 0.305 -8.220 1.00 1.16 H new ATOM 302 N PRO A 19 12.452 2.172 -3.371 1.00 0.74 N ATOM 303 CA PRO A 19 12.053 3.170 -2.422 1.00 0.74 C ATOM 304 C PRO A 19 11.786 4.480 -3.080 1.00 0.70 C ATOM 305 O PRO A 19 11.276 5.423 -2.479 1.00 0.74 O ATOM 306 CB PRO A 19 13.216 3.224 -1.434 1.00 0.86 C ATOM 307 CG PRO A 19 14.446 2.874 -2.287 1.00 0.95 C ATOM 308 CD PRO A 19 13.832 1.764 -3.154 1.00 0.82 C ATOM 0 HA PRO A 19 11.113 2.932 -1.924 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.311 4.212 -0.983 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.080 2.513 -0.619 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.804 3.719 -2.876 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.287 2.524 -1.689 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.366 1.661 -4.099 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.883 0.798 -2.652 1.00 0.82 H new ATOM 316 N SER A 20 12.150 4.576 -4.372 1.00 0.70 N ATOM 317 CA SER A 20 11.833 5.661 -5.248 1.00 0.74 C ATOM 318 C SER A 20 10.479 5.524 -5.856 1.00 0.71 C ATOM 319 O SER A 20 10.059 6.537 -6.415 1.00 0.80 O ATOM 320 CB SER A 20 12.978 5.892 -6.249 1.00 0.89 C ATOM 321 OG SER A 20 13.297 4.670 -6.900 1.00 1.45 O ATOM 0 H SER A 20 12.700 3.850 -4.832 1.00 0.70 H new ATOM 0 HA SER A 20 11.758 6.578 -4.664 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.686 6.642 -6.984 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.855 6.279 -5.730 1.00 0.89 H new ATOM 0 HG SER A 20 14.025 4.820 -7.538 1.00 1.45 H new ATOM 327 N ASP A 21 9.718 4.419 -5.772 1.00 0.70 N ATOM 328 CA ASP A 21 8.375 4.284 -6.244 1.00 0.73 C ATOM 329 C ASP A 21 7.434 5.126 -5.454 1.00 0.64 C ATOM 330 O ASP A 21 7.609 5.355 -4.259 1.00 0.66 O ATOM 331 CB ASP A 21 7.930 2.813 -6.191 1.00 0.87 C ATOM 332 CG ASP A 21 8.749 1.950 -7.139 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.571 2.447 -7.955 1.00 1.50 O ATOM 334 OD2 ASP A 21 8.618 0.699 -7.053 1.00 1.69 O ATOM 0 H ASP A 21 10.066 3.561 -5.344 1.00 0.70 H new ATOM 0 HA ASP A 21 8.354 4.627 -7.278 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.033 2.437 -5.173 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.874 2.741 -6.452 1.00 0.87 H new ATOM 339 N THR A 22 6.347 5.738 -5.958 1.00 0.63 N ATOM 340 CA THR A 22 5.408 6.535 -5.231 1.00 0.58 C ATOM 341 C THR A 22 4.323 5.688 -4.661 1.00 0.53 C ATOM 342 O THR A 22 4.220 4.546 -5.107 1.00 0.58 O ATOM 343 CB THR A 22 4.785 7.603 -6.079 1.00 0.63 C ATOM 344 OG1 THR A 22 3.942 7.077 -7.093 1.00 0.70 O ATOM 345 CG2 THR A 22 5.710 8.693 -6.646 1.00 0.75 C ATOM 0 H THR A 22 6.108 5.670 -6.947 1.00 0.63 H new ATOM 0 HA THR A 22 5.972 7.014 -4.431 1.00 0.58 H new ATOM 0 HB THR A 22 4.183 8.135 -5.343 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.560 7.813 -7.616 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.124 9.396 -7.238 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.193 9.224 -5.825 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.470 8.233 -7.277 1.00 0.75 H new ATOM 353 N ILE A 23 3.598 6.136 -3.620 1.00 0.51 N ATOM 354 CA ILE A 23 2.473 5.393 -3.142 1.00 0.48 C ATOM 355 C ILE A 23 1.329 5.114 -4.054 1.00 0.48 C ATOM 356 O ILE A 23 0.736 4.043 -3.928 1.00 0.51 O ATOM 357 CB ILE A 23 1.988 5.993 -1.855 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.127 6.056 -0.823 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.771 5.251 -1.277 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.859 4.723 -0.683 1.00 0.73 C ATOM 0 H ILE A 23 3.787 7.002 -3.115 1.00 0.51 H new ATOM 0 HA ILE A 23 2.889 4.393 -3.021 1.00 0.48 H new ATOM 0 HB ILE A 23 1.660 7.007 -2.083 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.838 6.829 -1.117 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.721 6.348 0.145 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.463 5.728 -0.346 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.050 5.287 -1.993 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.037 4.212 -1.082 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.653 4.820 0.057 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.156 3.954 -0.362 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.290 4.442 -1.644 1.00 0.73 H new ATOM 372 N GLU A 24 1.020 6.018 -5.000 1.00 0.50 N ATOM 373 CA GLU A 24 0.263 5.761 -6.185 1.00 0.53 C ATOM 374 C GLU A 24 0.703 4.600 -7.010 1.00 0.50 C ATOM 375 O GLU A 24 -0.178 3.825 -7.378 1.00 0.55 O ATOM 376 CB GLU A 24 0.258 7.057 -7.014 1.00 0.64 C ATOM 377 CG GLU A 24 -0.725 7.057 -8.187 1.00 0.95 C ATOM 378 CD GLU A 24 -1.182 8.469 -8.523 1.00 1.05 C ATOM 379 OE1 GLU A 24 -0.405 9.205 -9.188 1.00 1.62 O ATOM 380 OE2 GLU A 24 -2.357 8.794 -8.205 1.00 1.56 O ATOM 0 H GLU A 24 1.319 6.991 -4.932 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.736 5.465 -5.865 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.019 7.893 -6.356 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.263 7.231 -7.399 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.253 6.607 -9.060 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.590 6.441 -7.940 1.00 0.95 H new ATOM 387 N ASN A 25 2.002 4.440 -7.321 1.00 0.51 N ATOM 388 CA ASN A 25 2.560 3.314 -8.001 1.00 0.52 C ATOM 389 C ASN A 25 2.351 2.044 -7.250 1.00 0.47 C ATOM 390 O ASN A 25 2.074 1.040 -7.904 1.00 0.53 O ATOM 391 CB ASN A 25 4.085 3.404 -8.185 1.00 0.64 C ATOM 392 CG ASN A 25 4.757 4.555 -8.921 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.982 4.651 -8.877 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.002 5.397 -9.676 1.00 1.57 N ATOM 0 H ASN A 25 2.704 5.140 -7.082 1.00 0.51 H new ATOM 0 HA ASN A 25 2.046 3.320 -8.962 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.521 3.376 -7.186 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.392 2.489 -8.692 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.450 6.131 -10.224 1.00 1.57 H new ATOM 0 HD22 ASN A 25 2.987 5.295 -9.694 1.00 1.57 H new ATOM 401 N VAL A 26 2.444 2.037 -5.908 1.00 0.45 N ATOM 402 CA VAL A 26 2.217 0.893 -5.080 1.00 0.44 C ATOM 403 C VAL A 26 0.785 0.496 -5.184 1.00 0.40 C ATOM 404 O VAL A 26 0.535 -0.691 -5.387 1.00 0.44 O ATOM 405 CB VAL A 26 2.632 1.271 -3.689 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.451 0.101 -2.708 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.128 1.629 -3.714 1.00 0.62 C ATOM 0 H VAL A 26 2.690 2.871 -5.374 1.00 0.45 H new ATOM 0 HA VAL A 26 2.799 0.024 -5.388 1.00 0.44 H new ATOM 0 HB VAL A 26 2.013 2.106 -3.362 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.762 0.411 -1.710 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.403 -0.196 -2.686 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.060 -0.743 -3.032 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.452 1.908 -2.711 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.703 0.768 -4.055 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.291 2.466 -4.393 1.00 0.62 H new ATOM 417 N LYS A 27 -0.146 1.466 -5.146 1.00 0.40 N ATOM 418 CA LYS A 27 -1.505 1.162 -5.469 1.00 0.41 C ATOM 419 C LYS A 27 -1.815 0.670 -6.840 1.00 0.38 C ATOM 420 O LYS A 27 -2.621 -0.255 -6.938 1.00 0.42 O ATOM 421 CB LYS A 27 -2.430 2.368 -5.230 1.00 0.51 C ATOM 422 CG LYS A 27 -2.504 2.700 -3.739 1.00 0.76 C ATOM 423 CD LYS A 27 -3.188 4.065 -3.644 1.00 0.82 C ATOM 424 CE LYS A 27 -3.454 4.471 -2.192 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.098 5.791 -2.011 1.00 1.11 N ATOM 0 H LYS A 27 0.035 2.439 -4.898 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.682 0.326 -4.792 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.061 3.232 -5.783 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.428 2.149 -5.610 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -3.070 1.942 -3.198 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.508 2.731 -3.296 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.563 4.818 -4.123 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.130 4.038 -4.192 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -4.084 3.711 -1.730 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.507 4.471 -1.653 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.615 6.311 -1.251 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.034 6.333 -2.896 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.098 5.658 -1.758 1.00 1.11 H new ATOM 439 N ALA A 28 -1.075 1.130 -7.865 1.00 0.39 N ATOM 440 CA ALA A 28 -1.151 0.664 -9.215 1.00 0.39 C ATOM 441 C ALA A 28 -0.714 -0.747 -9.410 1.00 0.36 C ATOM 442 O ALA A 28 -1.329 -1.460 -10.201 1.00 0.42 O ATOM 443 CB ALA A 28 -0.402 1.633 -10.146 1.00 0.51 C ATOM 0 H ALA A 28 -0.384 1.870 -7.744 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.209 0.653 -9.479 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.464 1.272 -11.173 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.855 2.623 -10.081 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.644 1.692 -9.845 1.00 0.51 H new ATOM 449 N LYS A 29 0.269 -1.299 -8.678 1.00 0.39 N ATOM 450 CA LYS A 29 0.697 -2.662 -8.618 1.00 0.43 C ATOM 451 C LYS A 29 -0.268 -3.507 -7.859 1.00 0.44 C ATOM 452 O LYS A 29 -0.364 -4.720 -8.035 1.00 0.54 O ATOM 453 CB LYS A 29 2.072 -2.700 -7.931 1.00 0.54 C ATOM 454 CG LYS A 29 3.192 -1.965 -8.672 1.00 0.65 C ATOM 455 CD LYS A 29 3.505 -2.826 -9.896 1.00 1.08 C ATOM 456 CE LYS A 29 4.998 -2.821 -10.228 1.00 1.24 C ATOM 457 NZ LYS A 29 5.604 -1.486 -10.432 1.00 1.44 N ATOM 0 H LYS A 29 0.829 -0.717 -8.055 1.00 0.39 H new ATOM 0 HA LYS A 29 0.755 -3.062 -9.630 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.974 -2.270 -6.934 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.367 -3.741 -7.801 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.877 -0.964 -8.966 1.00 0.65 H new ATOM 0 HG3 LYS A 29 4.071 -1.849 -8.039 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.177 -3.849 -9.714 1.00 1.08 H new ATOM 0 HD3 LYS A 29 2.941 -2.458 -10.753 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.533 -3.323 -9.422 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.153 -3.412 -11.130 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.615 -1.593 -10.651 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.128 -1.006 -11.222 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.496 -0.920 -9.566 1.00 1.44 H new ATOM 471 N ILE A 30 -1.166 -2.938 -7.035 1.00 0.41 N ATOM 472 CA ILE A 30 -2.188 -3.643 -6.324 1.00 0.44 C ATOM 473 C ILE A 30 -3.307 -3.822 -7.291 1.00 0.45 C ATOM 474 O ILE A 30 -4.027 -4.819 -7.316 1.00 0.56 O ATOM 475 CB ILE A 30 -2.618 -2.981 -5.049 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.449 -3.054 -4.052 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.803 -3.685 -4.368 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.510 -2.131 -2.835 1.00 1.32 C ATOM 0 H ILE A 30 -1.180 -1.934 -6.855 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.807 -4.603 -5.975 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.914 -1.964 -5.308 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.374 -4.081 -3.694 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.529 -2.838 -4.594 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.063 -3.155 -3.452 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.660 -3.688 -5.041 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.527 -4.712 -4.128 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.626 -2.285 -2.217 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.545 -1.093 -3.167 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.403 -2.356 -2.252 1.00 1.32 H new ATOM 490 N GLN A 31 -3.517 -2.882 -8.229 1.00 0.41 N ATOM 491 CA GLN A 31 -4.498 -2.984 -9.265 1.00 0.48 C ATOM 492 C GLN A 31 -4.193 -4.050 -10.261 1.00 0.52 C ATOM 493 O GLN A 31 -5.094 -4.689 -10.803 1.00 0.66 O ATOM 494 CB GLN A 31 -4.794 -1.626 -9.922 1.00 0.52 C ATOM 495 CG GLN A 31 -5.949 -1.590 -10.926 1.00 0.70 C ATOM 496 CD GLN A 31 -5.883 -0.355 -11.811 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.876 0.353 -11.834 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.984 -0.002 -12.526 1.00 1.43 N ATOM 0 H GLN A 31 -2.981 -2.015 -8.268 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.419 -3.300 -8.775 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.005 -0.904 -9.133 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.890 -1.288 -10.429 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.920 -2.485 -11.547 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.898 -1.604 -10.390 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.816 -0.591 -12.505 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.978 0.852 -13.084 1.00 1.43 H new ATOM 507 N ASP A 32 -2.908 -4.302 -10.565 1.00 0.50 N ATOM 508 CA ASP A 32 -2.499 -5.466 -11.288 1.00 0.60 C ATOM 509 C ASP A 32 -2.928 -6.734 -10.634 1.00 0.65 C ATOM 510 O ASP A 32 -3.436 -7.637 -11.297 1.00 0.81 O ATOM 511 CB ASP A 32 -0.964 -5.495 -11.388 1.00 0.67 C ATOM 512 CG ASP A 32 -0.597 -6.247 -12.659 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.918 -5.650 -13.720 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.081 -7.300 -12.517 1.00 1.51 O ATOM 0 H ASP A 32 -2.138 -3.686 -10.304 1.00 0.50 H new ATOM 0 HA ASP A 32 -2.971 -5.404 -12.268 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.563 -4.482 -11.414 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.533 -5.986 -10.515 1.00 0.67 H new ATOM 519 N LYS A 33 -2.757 -6.863 -9.306 1.00 0.62 N ATOM 520 CA LYS A 33 -3.055 -8.049 -8.565 1.00 0.73 C ATOM 521 C LYS A 33 -4.518 -8.251 -8.366 1.00 0.69 C ATOM 522 O LYS A 33 -5.110 -9.128 -8.994 1.00 0.83 O ATOM 523 CB LYS A 33 -2.403 -8.106 -7.174 1.00 0.85 C ATOM 524 CG LYS A 33 -0.873 -8.140 -7.168 1.00 1.31 C ATOM 525 CD LYS A 33 -0.365 -9.581 -7.087 1.00 1.71 C ATOM 526 CE LYS A 33 1.135 -9.828 -7.257 1.00 2.26 C ATOM 527 NZ LYS A 33 1.383 -11.285 -7.191 1.00 2.62 N ATOM 0 H LYS A 33 -2.395 -6.108 -8.724 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.636 -8.838 -9.190 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.733 -7.239 -6.601 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.771 -8.991 -6.655 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.490 -7.664 -8.071 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.495 -7.568 -6.321 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.662 -9.985 -6.119 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.887 -10.161 -7.848 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.479 -9.428 -8.211 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.694 -9.313 -6.476 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.400 -11.470 -7.305 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.066 -11.650 -6.270 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.857 -11.761 -7.951 1.00 2.62 H new ATOM 541 N GLU A 34 -5.133 -7.364 -7.565 1.00 0.63 N ATOM 542 CA GLU A 34 -6.446 -7.429 -7.001 1.00 0.67 C ATOM 543 C GLU A 34 -7.476 -6.918 -7.948 1.00 0.69 C ATOM 544 O GLU A 34 -8.544 -7.512 -8.090 1.00 0.95 O ATOM 545 CB GLU A 34 -6.536 -6.724 -5.636 1.00 0.73 C ATOM 546 CG GLU A 34 -5.658 -7.309 -4.528 1.00 0.83 C ATOM 547 CD GLU A 34 -5.945 -8.782 -4.280 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.021 -9.089 -3.701 1.00 1.37 O ATOM 549 OE2 GLU A 34 -5.097 -9.664 -4.586 1.00 1.48 O ATOM 0 H GLU A 34 -4.655 -6.508 -7.283 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.655 -8.484 -6.823 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.269 -5.676 -5.771 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.574 -6.748 -5.303 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.609 -7.186 -4.796 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.819 -6.750 -3.606 1.00 0.83 H new ATOM 556 N GLY A 35 -7.196 -5.762 -8.578 1.00 0.63 N ATOM 557 CA GLY A 35 -8.065 -5.233 -9.581 1.00 0.68 C ATOM 558 C GLY A 35 -8.639 -3.917 -9.184 1.00 0.76 C ATOM 559 O GLY A 35 -9.417 -3.279 -9.893 1.00 1.12 O ATOM 0 H GLY A 35 -6.369 -5.195 -8.392 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.515 -5.122 -10.515 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.874 -5.939 -9.769 1.00 0.68 H new ATOM 563 N ILE A 36 -8.356 -3.563 -7.918 1.00 0.70 N ATOM 564 CA ILE A 36 -8.885 -2.445 -7.199 1.00 0.76 C ATOM 565 C ILE A 36 -8.311 -1.171 -7.715 1.00 0.71 C ATOM 566 O ILE A 36 -7.089 -1.032 -7.709 1.00 0.73 O ATOM 567 CB ILE A 36 -8.605 -2.502 -5.726 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.165 -3.800 -5.121 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.267 -1.267 -5.090 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.639 -3.955 -3.694 1.00 1.16 C ATOM 0 H ILE A 36 -7.703 -4.104 -7.352 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.964 -2.486 -7.351 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.532 -2.498 -5.535 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.255 -3.774 -5.119 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.867 -4.656 -5.726 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.086 -1.270 -4.015 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.844 -0.362 -5.526 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.340 -1.292 -5.278 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -9.032 -4.874 -3.259 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.550 -3.999 -3.710 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.959 -3.103 -3.094 1.00 1.16 H new ATOM 582 N PRO A 37 -8.985 -0.162 -8.183 1.00 0.75 N ATOM 583 CA PRO A 37 -8.409 1.038 -8.716 1.00 0.79 C ATOM 584 C PRO A 37 -7.728 1.847 -7.665 1.00 0.75 C ATOM 585 O PRO A 37 -8.278 1.794 -6.567 1.00 0.75 O ATOM 586 CB PRO A 37 -9.553 1.825 -9.351 1.00 0.95 C ATOM 587 CG PRO A 37 -10.782 1.402 -8.531 1.00 1.02 C ATOM 588 CD PRO A 37 -10.436 -0.057 -8.191 1.00 0.85 C ATOM 0 HA PRO A 37 -7.640 0.793 -9.448 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.382 2.900 -9.291 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.671 1.579 -10.406 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -10.909 2.013 -7.637 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.705 1.482 -9.105 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.848 -0.334 -7.221 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.867 -0.736 -8.926 1.00 0.85 H new ATOM 596 N PRO A 38 -6.653 2.554 -7.850 1.00 0.81 N ATOM 597 CA PRO A 38 -5.927 3.252 -6.828 1.00 0.85 C ATOM 598 C PRO A 38 -6.755 4.324 -6.208 1.00 0.89 C ATOM 599 O PRO A 38 -6.460 4.641 -5.056 1.00 0.99 O ATOM 600 CB PRO A 38 -4.735 3.878 -7.548 1.00 1.01 C ATOM 601 CG PRO A 38 -4.521 2.958 -8.760 1.00 1.25 C ATOM 602 CD PRO A 38 -5.872 2.283 -9.047 1.00 0.98 C ATOM 0 HA PRO A 38 -5.632 2.578 -6.024 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.945 4.903 -7.855 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.853 3.911 -6.909 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.183 3.529 -9.624 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -3.753 2.213 -8.550 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.346 2.697 -9.937 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.757 1.212 -9.216 1.00 0.98 H new ATOM 610 N ASP A 39 -7.746 4.948 -6.869 1.00 0.96 N ATOM 611 CA ASP A 39 -8.607 5.938 -6.301 1.00 1.11 C ATOM 612 C ASP A 39 -9.246 5.455 -5.045 1.00 1.00 C ATOM 613 O ASP A 39 -9.086 6.148 -4.042 1.00 1.14 O ATOM 614 CB ASP A 39 -9.601 6.360 -7.396 1.00 1.39 C ATOM 615 CG ASP A 39 -10.131 7.752 -7.081 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.376 8.756 -7.181 1.00 2.25 O ATOM 617 OD2 ASP A 39 -11.353 7.881 -6.804 1.00 2.23 O ATOM 0 H ASP A 39 -7.957 4.752 -7.848 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.046 6.818 -5.986 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.111 6.356 -8.370 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.424 5.648 -7.451 1.00 1.39 H new ATOM 622 N GLN A 40 -9.875 4.266 -5.025 1.00 0.87 N ATOM 623 CA GLN A 40 -10.546 3.654 -3.921 1.00 0.84 C ATOM 624 C GLN A 40 -9.637 3.212 -2.825 1.00 0.67 C ATOM 625 O GLN A 40 -10.028 3.263 -1.660 1.00 0.80 O ATOM 626 CB GLN A 40 -11.394 2.480 -4.438 1.00 0.95 C ATOM 627 CG GLN A 40 -12.601 2.846 -5.305 1.00 1.32 C ATOM 628 CD GLN A 40 -13.512 1.680 -5.659 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.423 0.500 -5.323 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.464 1.946 -6.594 1.00 2.02 N ATOM 0 H GLN A 40 -9.916 3.681 -5.860 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.182 4.416 -3.471 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.747 1.818 -5.014 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.750 1.910 -3.579 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.188 3.602 -4.784 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.242 3.301 -6.228 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.601 2.901 -6.925 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.041 1.190 -6.963 1.00 2.02 H new ATOM 639 N GLN A 41 -8.353 2.880 -3.047 1.00 0.56 N ATOM 640 CA GLN A 41 -7.410 2.404 -2.083 1.00 0.51 C ATOM 641 C GLN A 41 -6.914 3.402 -1.095 1.00 0.49 C ATOM 642 O GLN A 41 -6.754 4.586 -1.393 1.00 0.65 O ATOM 643 CB GLN A 41 -6.218 1.787 -2.834 1.00 0.67 C ATOM 644 CG GLN A 41 -6.611 0.610 -3.727 1.00 0.69 C ATOM 645 CD GLN A 41 -5.340 0.043 -4.343 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.338 -0.062 -3.637 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.284 -0.231 -5.674 1.00 0.61 N ATOM 0 H GLN A 41 -7.942 2.951 -3.978 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.953 1.676 -1.480 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.745 2.556 -3.445 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.475 1.453 -2.110 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.127 -0.154 -3.145 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.300 0.936 -4.506 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.122 -0.140 -6.249 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.404 -0.527 -6.097 1.00 0.61 H new ATOM 656 N ARG A 42 -6.508 2.898 0.085 1.00 0.47 N ATOM 657 CA ARG A 42 -5.909 3.614 1.168 1.00 0.55 C ATOM 658 C ARG A 42 -4.857 2.722 1.732 1.00 0.46 C ATOM 659 O ARG A 42 -5.190 1.601 2.114 1.00 0.52 O ATOM 660 CB ARG A 42 -7.033 3.958 2.160 1.00 0.73 C ATOM 661 CG ARG A 42 -7.976 4.944 1.466 1.00 1.04 C ATOM 662 CD ARG A 42 -8.882 5.701 2.437 1.00 1.28 C ATOM 663 NE ARG A 42 -9.724 6.481 1.488 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.854 7.190 1.779 1.00 2.19 C ATOM 665 NH1 ARG A 42 -11.404 7.135 3.028 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.529 7.854 0.796 1.00 2.78 N ATOM 0 H ARG A 42 -6.608 1.905 0.297 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.433 4.552 0.883 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.571 3.058 2.457 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.621 4.397 3.069 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.385 5.662 0.897 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.594 4.402 0.751 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.474 5.029 3.058 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.317 6.344 3.112 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.423 6.486 0.513 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.970 6.561 3.751 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -12.248 7.668 3.237 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.190 7.823 -0.166 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -12.372 8.381 1.023 1.00 2.78 H new ATOM 680 N LEU A 43 -3.569 3.105 1.772 1.00 0.46 N ATOM 681 CA LEU A 43 -2.525 2.354 2.400 1.00 0.42 C ATOM 682 C LEU A 43 -2.106 2.972 3.689 1.00 0.43 C ATOM 683 O LEU A 43 -1.941 4.191 3.709 1.00 0.55 O ATOM 684 CB LEU A 43 -1.382 2.080 1.409 1.00 0.55 C ATOM 685 CG LEU A 43 -1.720 1.210 0.188 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.570 1.380 -0.820 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.869 -0.292 0.487 1.00 1.12 C ATOM 0 H LEU A 43 -3.240 3.973 1.350 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.906 1.372 2.681 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.006 3.038 1.050 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.568 1.601 1.953 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.689 1.543 -0.183 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.770 0.777 -1.706 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.489 2.429 -1.106 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.365 1.055 -0.364 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.107 -0.824 -0.434 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.935 -0.676 0.897 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.671 -0.441 1.210 1.00 1.12 H new ATOM 699 N ILE A 44 -1.910 2.095 4.690 1.00 0.42 N ATOM 700 CA ILE A 44 -1.587 2.516 6.018 1.00 0.46 C ATOM 701 C ILE A 44 -0.312 1.895 6.474 1.00 0.42 C ATOM 702 O ILE A 44 -0.017 0.706 6.374 1.00 0.53 O ATOM 703 CB ILE A 44 -2.721 2.185 6.942 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.966 3.089 6.940 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.272 1.921 8.389 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.817 3.008 5.674 1.00 1.27 C ATOM 0 H ILE A 44 -1.976 1.083 4.577 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.441 3.596 6.025 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.067 1.263 6.474 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.588 2.828 7.796 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -3.647 4.122 7.081 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.142 1.688 9.003 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.579 1.080 8.407 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.777 2.808 8.784 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.671 3.679 5.766 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.216 3.300 4.813 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.172 1.986 5.539 1.00 1.27 H new ATOM 718 N PHE A 45 0.580 2.666 7.123 1.00 0.42 N ATOM 719 CA PHE A 45 1.801 2.222 7.719 1.00 0.46 C ATOM 720 C PHE A 45 2.276 3.128 8.803 1.00 0.68 C ATOM 721 O PHE A 45 2.254 4.322 8.507 1.00 1.50 O ATOM 722 CB PHE A 45 2.872 2.017 6.634 1.00 0.56 C ATOM 723 CG PHE A 45 3.981 1.163 7.146 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.963 -0.154 7.538 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.145 1.863 7.362 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.092 -0.766 8.029 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.285 1.280 7.862 1.00 1.33 C ATOM 728 CZ PHE A 45 6.240 -0.040 8.243 1.00 1.02 C ATOM 0 H PHE A 45 0.436 3.669 7.238 1.00 0.42 H new ATOM 0 HA PHE A 45 1.605 1.264 8.201 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.424 1.552 5.756 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.266 2.983 6.317 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.046 -0.718 7.459 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.164 2.917 7.128 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.077 -1.823 8.248 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.199 1.848 7.954 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.099 -0.503 8.706 1.00 1.02 H new ATOM 738 N ALA A 46 2.649 2.640 9.999 1.00 0.81 N ATOM 739 CA ALA A 46 3.139 3.347 11.141 1.00 0.96 C ATOM 740 C ALA A 46 2.171 4.239 11.838 1.00 0.97 C ATOM 741 O ALA A 46 2.518 5.328 12.293 1.00 1.21 O ATOM 742 CB ALA A 46 4.565 3.914 11.029 1.00 1.20 C ATOM 0 H ALA A 46 2.601 1.638 10.183 1.00 0.81 H new ATOM 0 HA ALA A 46 3.254 2.523 11.845 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.826 4.428 11.954 1.00 1.20 H new ATOM 0 HB2 ALA A 46 5.268 3.099 10.856 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.613 4.617 10.197 1.00 1.20 H new ATOM 748 N GLY A 47 0.897 3.811 11.881 1.00 0.99 N ATOM 749 CA GLY A 47 -0.084 4.674 12.464 1.00 1.10 C ATOM 750 C GLY A 47 -0.600 5.677 11.492 1.00 1.03 C ATOM 751 O GLY A 47 -1.735 6.150 11.509 1.00 1.30 O ATOM 0 H GLY A 47 0.556 2.915 11.532 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.914 4.076 12.841 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.351 5.190 13.320 1.00 1.10 H new ATOM 755 N LYS A 48 0.208 6.080 10.495 1.00 0.98 N ATOM 756 CA LYS A 48 -0.178 7.033 9.501 1.00 1.05 C ATOM 757 C LYS A 48 -0.801 6.380 8.316 1.00 0.84 C ATOM 758 O LYS A 48 -0.760 5.167 8.116 1.00 0.81 O ATOM 759 CB LYS A 48 1.096 7.797 9.104 1.00 1.42 C ATOM 760 CG LYS A 48 1.654 8.736 10.176 1.00 1.61 C ATOM 761 CD LYS A 48 2.644 9.659 9.463 1.00 1.87 C ATOM 762 CE LYS A 48 3.935 8.907 9.132 1.00 2.22 C ATOM 763 NZ LYS A 48 5.137 9.756 9.292 1.00 2.55 N ATOM 0 H LYS A 48 1.159 5.732 10.377 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.934 7.709 9.900 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.867 7.073 8.841 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.886 8.380 8.207 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.855 9.310 10.644 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.148 8.173 10.968 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.196 10.045 8.547 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.869 10.519 10.095 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.021 8.034 9.779 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.886 8.540 8.107 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.986 9.203 9.057 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.070 10.576 8.656 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.200 10.086 10.276 1.00 2.55 H new ATOM 777 N GLN A 49 -1.467 7.193 7.475 1.00 0.84 N ATOM 778 CA GLN A 49 -2.008 6.820 6.206 1.00 0.80 C ATOM 779 C GLN A 49 -1.115 7.507 5.231 1.00 0.72 C ATOM 780 O GLN A 49 -0.797 8.693 5.301 1.00 0.83 O ATOM 781 CB GLN A 49 -3.508 7.161 6.214 1.00 1.03 C ATOM 782 CG GLN A 49 -4.222 6.873 4.891 1.00 1.67 C ATOM 783 CD GLN A 49 -5.706 7.207 4.875 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.416 6.203 4.821 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.022 8.529 4.880 1.00 2.48 N ATOM 0 H GLN A 49 -1.637 8.174 7.698 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.011 5.763 5.939 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.994 6.594 7.008 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.628 8.217 6.457 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.729 7.438 4.099 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.100 5.816 4.652 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.283 9.230 4.931 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.998 8.820 4.833 1.00 2.48 H new ATOM 794 N LEU A 50 -0.735 6.811 4.144 1.00 0.69 N ATOM 795 CA LEU A 50 0.223 7.329 3.217 1.00 0.66 C ATOM 796 C LEU A 50 -0.368 8.325 2.279 1.00 0.72 C ATOM 797 O LEU A 50 -1.537 8.204 1.917 1.00 0.90 O ATOM 798 CB LEU A 50 0.891 6.165 2.468 1.00 0.65 C ATOM 799 CG LEU A 50 1.438 5.021 3.338 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.903 3.917 2.374 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.527 5.442 4.339 1.00 0.74 C ATOM 0 H LEU A 50 -1.093 5.886 3.907 1.00 0.69 H new ATOM 0 HA LEU A 50 0.982 7.871 3.780 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.167 5.747 1.769 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.712 6.566 1.874 1.00 0.65 H new ATOM 0 HG LEU A 50 0.646 4.659 3.993 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.301 3.079 2.946 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.058 3.578 1.774 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.679 4.310 1.718 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.853 4.572 4.909 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.376 5.861 3.798 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.125 6.192 5.020 1.00 0.74 H new ATOM 813 N GLU A 51 0.416 9.275 1.738 1.00 0.70 N ATOM 814 CA GLU A 51 -0.043 10.142 0.697 1.00 0.76 C ATOM 815 C GLU A 51 0.426 9.642 -0.625 1.00 0.77 C ATOM 816 O GLU A 51 1.540 9.151 -0.798 1.00 1.23 O ATOM 817 CB GLU A 51 0.727 11.443 0.981 1.00 0.88 C ATOM 818 CG GLU A 51 0.489 12.628 0.044 1.00 1.35 C ATOM 819 CD GLU A 51 -0.955 13.102 -0.045 1.00 1.46 C ATOM 820 OE1 GLU A 51 -1.691 12.544 -0.902 1.00 1.94 O ATOM 821 OE2 GLU A 51 -1.293 14.116 0.622 1.00 1.89 O ATOM 0 H GLU A 51 1.380 9.444 2.026 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.129 10.234 0.673 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.484 11.762 1.994 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.792 11.212 0.966 1.00 0.88 H new ATOM 0 HG2 GLU A 51 1.109 13.462 0.373 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.827 12.355 -0.955 1.00 1.35 H new ATOM 828 N ASP A 52 -0.448 9.769 -1.640 1.00 0.66 N ATOM 829 CA ASP A 52 -0.355 9.138 -2.920 1.00 0.65 C ATOM 830 C ASP A 52 0.804 9.501 -3.783 1.00 0.60 C ATOM 831 O ASP A 52 1.730 8.749 -4.081 1.00 0.62 O ATOM 832 CB ASP A 52 -1.668 9.267 -3.711 1.00 0.81 C ATOM 833 CG ASP A 52 -2.814 8.392 -3.221 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.411 8.753 -2.172 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.148 7.359 -3.859 1.00 1.44 O ATOM 0 H ASP A 52 -1.279 10.355 -1.559 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.165 8.099 -2.652 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.990 10.308 -3.681 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.469 9.025 -4.755 1.00 0.81 H new ATOM 840 N GLY A 53 1.006 10.787 -4.121 1.00 0.68 N ATOM 841 CA GLY A 53 2.215 11.304 -4.682 1.00 0.73 C ATOM 842 C GLY A 53 3.331 11.679 -3.769 1.00 0.72 C ATOM 843 O GLY A 53 4.060 12.643 -3.999 1.00 0.97 O ATOM 0 H GLY A 53 0.289 11.502 -3.996 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.598 10.561 -5.382 1.00 0.73 H new ATOM 0 HA3 GLY A 53 1.956 12.187 -5.265 1.00 0.73 H new ATOM 847 N ARG A 54 3.516 10.837 -2.737 1.00 0.64 N ATOM 848 CA ARG A 54 4.663 10.792 -1.884 1.00 0.63 C ATOM 849 C ARG A 54 5.354 9.493 -2.120 1.00 0.59 C ATOM 850 O ARG A 54 4.761 8.581 -2.694 1.00 0.62 O ATOM 851 CB ARG A 54 4.291 10.912 -0.396 1.00 0.69 C ATOM 852 CG ARG A 54 5.486 11.270 0.489 1.00 0.82 C ATOM 853 CD ARG A 54 5.232 11.710 1.933 1.00 1.18 C ATOM 854 NE ARG A 54 4.410 12.952 1.886 1.00 1.50 N ATOM 855 CZ ARG A 54 3.705 13.438 2.949 1.00 2.00 C ATOM 856 NH1 ARG A 54 3.997 12.919 4.177 1.00 2.48 N ATOM 857 NH2 ARG A 54 2.727 14.381 2.824 1.00 2.49 N ATOM 0 H ARG A 54 2.816 10.140 -2.482 1.00 0.64 H new ATOM 0 HA ARG A 54 5.307 11.639 -2.120 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.519 11.672 -0.280 1.00 0.69 H new ATOM 0 HB3 ARG A 54 3.863 9.969 -0.056 1.00 0.69 H new ATOM 0 HG2 ARG A 54 6.145 10.402 0.520 1.00 0.82 H new ATOM 0 HG3 ARG A 54 6.036 12.070 -0.007 1.00 0.82 H new ATOM 0 HD2 ARG A 54 4.713 10.928 2.486 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.174 11.893 2.449 1.00 1.18 H new ATOM 0 HE ARG A 54 4.372 13.469 1.008 1.00 1.50 H new ATOM 0 HH11 ARG A 54 4.715 12.200 4.269 1.00 2.48 H new ATOM 0 HH12 ARG A 54 3.497 13.250 5.002 1.00 2.48 H new ATOM 0 HH21 ARG A 54 2.494 14.755 1.904 1.00 2.49 H new ATOM 0 HH22 ARG A 54 2.229 14.712 3.650 1.00 2.49 H new ATOM 871 N THR A 55 6.640 9.344 -1.755 1.00 0.63 N ATOM 872 CA THR A 55 7.402 8.146 -1.927 1.00 0.61 C ATOM 873 C THR A 55 7.643 7.402 -0.658 1.00 0.59 C ATOM 874 O THR A 55 7.492 7.897 0.458 1.00 0.64 O ATOM 875 CB THR A 55 8.742 8.301 -2.584 1.00 0.68 C ATOM 876 OG1 THR A 55 9.521 9.264 -1.890 1.00 0.75 O ATOM 877 CG2 THR A 55 8.588 8.780 -4.037 1.00 0.76 C ATOM 0 H THR A 55 7.174 10.096 -1.319 1.00 0.63 H new ATOM 0 HA THR A 55 6.746 7.591 -2.598 1.00 0.61 H new ATOM 0 HB THR A 55 9.231 7.327 -2.564 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.394 9.355 -2.327 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.573 8.885 -4.492 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.004 8.052 -4.600 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.078 9.743 -4.050 1.00 0.76 H new ATOM 885 N LEU A 56 8.000 6.118 -0.836 1.00 0.58 N ATOM 886 CA LEU A 56 8.410 5.188 0.170 1.00 0.59 C ATOM 887 C LEU A 56 9.659 5.581 0.882 1.00 0.64 C ATOM 888 O LEU A 56 9.834 5.334 2.075 1.00 0.70 O ATOM 889 CB LEU A 56 8.522 3.759 -0.386 1.00 0.60 C ATOM 890 CG LEU A 56 7.325 3.213 -1.182 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.652 2.418 -2.457 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.358 2.340 -0.362 1.00 1.03 C ATOM 0 H LEU A 56 8.001 5.696 -1.764 1.00 0.58 H new ATOM 0 HA LEU A 56 7.616 5.208 0.917 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.402 3.716 -1.028 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.705 3.085 0.451 1.00 0.60 H new ATOM 0 HG LEU A 56 6.856 4.155 -1.468 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.726 2.088 -2.927 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.205 3.053 -3.150 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.258 1.549 -2.199 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.545 1.998 -1.002 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.894 1.478 0.035 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.950 2.925 0.462 1.00 1.03 H new ATOM 904 N SER A 57 10.661 6.169 0.206 1.00 0.68 N ATOM 905 CA SER A 57 11.868 6.657 0.800 1.00 0.75 C ATOM 906 C SER A 57 11.652 7.775 1.760 1.00 0.76 C ATOM 907 O SER A 57 12.184 7.588 2.854 1.00 0.84 O ATOM 908 CB SER A 57 12.805 7.075 -0.345 1.00 0.84 C ATOM 909 OG SER A 57 14.063 7.405 0.226 1.00 1.19 O ATOM 0 H SER A 57 10.629 6.311 -0.803 1.00 0.68 H new ATOM 0 HA SER A 57 12.310 5.862 1.401 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.913 6.265 -1.066 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.394 7.929 -0.884 1.00 0.84 H new ATOM 0 HG SER A 57 14.683 7.675 -0.483 1.00 1.19 H new ATOM 915 N ASP A 58 10.728 8.697 1.438 1.00 0.75 N ATOM 916 CA ASP A 58 10.294 9.750 2.303 1.00 0.78 C ATOM 917 C ASP A 58 9.951 9.199 3.643 1.00 0.77 C ATOM 918 O ASP A 58 10.678 9.453 4.603 1.00 0.86 O ATOM 919 CB ASP A 58 9.261 10.606 1.551 1.00 0.83 C ATOM 920 CG ASP A 58 9.047 11.933 2.265 1.00 1.23 C ATOM 921 OD1 ASP A 58 8.478 12.154 3.367 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.610 12.899 1.684 1.00 1.86 O ATOM 0 H ASP A 58 10.261 8.709 0.531 1.00 0.75 H new ATOM 0 HA ASP A 58 11.075 10.467 2.556 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.602 10.786 0.531 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.316 10.068 1.481 1.00 0.83 H new ATOM 927 N TYR A 59 8.832 8.456 3.715 1.00 0.72 N ATOM 928 CA TYR A 59 8.193 7.861 4.849 1.00 0.73 C ATOM 929 C TYR A 59 8.993 7.026 5.789 1.00 0.76 C ATOM 930 O TYR A 59 8.691 6.879 6.972 1.00 0.89 O ATOM 931 CB TYR A 59 7.074 6.909 4.393 1.00 0.73 C ATOM 932 CG TYR A 59 5.813 7.666 4.158 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.173 8.305 5.193 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.228 7.650 2.913 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.058 9.076 4.963 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.102 8.395 2.657 1.00 0.70 C ATOM 937 CZ TYR A 59 3.467 8.986 3.724 1.00 0.74 C ATOM 938 OH TYR A 59 2.367 9.827 3.456 1.00 0.86 O ATOM 0 H TYR A 59 8.310 8.248 2.864 1.00 0.72 H new ATOM 0 HA TYR A 59 7.892 8.759 5.388 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.374 6.396 3.479 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.910 6.142 5.150 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.551 8.200 6.199 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.658 7.045 2.128 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.661 9.728 5.727 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.728 8.513 1.651 1.00 0.70 H new ATOM 0 HH TYR A 59 2.689 10.724 3.226 1.00 0.86 H new ATOM 948 N ASN A 60 10.058 6.441 5.214 1.00 0.74 N ATOM 949 CA ASN A 60 11.041 5.568 5.779 1.00 0.79 C ATOM 950 C ASN A 60 10.599 4.154 5.926 1.00 0.75 C ATOM 951 O ASN A 60 10.822 3.540 6.968 1.00 0.86 O ATOM 952 CB ASN A 60 11.666 6.020 7.109 1.00 0.95 C ATOM 953 CG ASN A 60 12.446 7.281 6.766 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.085 8.445 6.934 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.653 6.968 6.224 1.00 1.83 N ATOM 0 H ASN A 60 10.251 6.604 4.226 1.00 0.74 H new ATOM 0 HA ASN A 60 11.816 5.629 5.015 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.900 6.221 7.858 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.320 5.251 7.520 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.293 7.710 5.942 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.918 5.991 6.100 1.00 1.83 H new ATOM 962 N ILE A 61 10.003 3.654 4.828 1.00 0.67 N ATOM 963 CA ILE A 61 9.516 2.310 4.776 1.00 0.65 C ATOM 964 C ILE A 61 10.518 1.475 4.056 1.00 0.66 C ATOM 965 O ILE A 61 10.897 1.674 2.903 1.00 0.75 O ATOM 966 CB ILE A 61 8.208 2.197 4.051 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.159 3.205 4.549 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.675 0.776 4.295 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.859 3.063 3.757 1.00 0.82 C ATOM 0 H ILE A 61 9.858 4.186 3.970 1.00 0.67 H new ATOM 0 HA ILE A 61 9.361 1.975 5.802 1.00 0.65 H new ATOM 0 HB ILE A 61 8.379 2.408 2.996 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.965 3.043 5.609 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.544 4.220 4.447 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.721 0.652 3.782 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.390 0.048 3.911 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.535 0.618 5.364 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.129 3.784 4.124 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.054 3.249 2.701 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.466 2.054 3.881 1.00 0.82 H new ATOM 981 N GLN A 62 10.976 0.359 4.648 1.00 0.67 N ATOM 982 CA GLN A 62 12.014 -0.542 4.251 1.00 0.70 C ATOM 983 C GLN A 62 11.463 -1.786 3.645 1.00 0.62 C ATOM 984 O GLN A 62 10.253 -1.951 3.493 1.00 0.64 O ATOM 985 CB GLN A 62 12.978 -0.796 5.423 1.00 0.85 C ATOM 986 CG GLN A 62 13.670 0.455 5.968 1.00 1.27 C ATOM 987 CD GLN A 62 14.907 0.200 6.819 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.195 -0.919 7.240 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.670 1.309 7.013 1.00 2.16 N ATOM 0 H GLN A 62 10.558 0.050 5.526 1.00 0.67 H new ATOM 0 HA GLN A 62 12.601 -0.078 3.459 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.425 -1.270 6.234 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.741 -1.505 5.100 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.953 1.088 5.127 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.950 1.017 6.563 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.370 2.207 6.635 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.543 1.242 7.537 1.00 2.16 H new ATOM 998 N LYS A 63 12.309 -2.786 3.342 1.00 0.64 N ATOM 999 CA LYS A 63 11.949 -4.118 2.964 1.00 0.62 C ATOM 1000 C LYS A 63 11.327 -4.973 4.014 1.00 0.59 C ATOM 1001 O LYS A 63 11.581 -4.910 5.217 1.00 0.66 O ATOM 1002 CB LYS A 63 13.201 -4.818 2.413 1.00 0.74 C ATOM 1003 CG LYS A 63 14.305 -5.154 3.418 1.00 0.89 C ATOM 1004 CD LYS A 63 14.775 -6.602 3.261 1.00 1.11 C ATOM 1005 CE LYS A 63 15.526 -7.279 4.409 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.546 -8.741 4.182 1.00 2.12 N ATOM 0 H LYS A 63 13.320 -2.653 3.363 1.00 0.64 H new ATOM 0 HA LYS A 63 11.160 -3.998 2.222 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.888 -5.744 1.931 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.630 -4.184 1.637 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.148 -4.478 3.276 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.938 -4.996 4.432 1.00 0.89 H new ATOM 0 HD2 LYS A 63 13.896 -7.209 3.043 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.417 -6.643 2.381 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.544 -6.894 4.470 1.00 1.47 H new ATOM 0 HE3 LYS A 63 15.042 -7.053 5.359 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 15.755 -9.228 5.077 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 14.618 -9.050 3.827 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 16.279 -8.974 3.482 1.00 2.12 H new ATOM 1020 N GLU A 64 10.476 -5.858 3.468 1.00 0.57 N ATOM 1021 CA GLU A 64 9.689 -6.871 4.100 1.00 0.58 C ATOM 1022 C GLU A 64 8.728 -6.330 5.102 1.00 0.56 C ATOM 1023 O GLU A 64 8.252 -7.023 5.999 1.00 0.70 O ATOM 1024 CB GLU A 64 10.634 -7.946 4.662 1.00 0.72 C ATOM 1025 CG GLU A 64 11.130 -8.849 3.531 1.00 0.96 C ATOM 1026 CD GLU A 64 12.195 -9.874 3.893 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.054 -10.603 4.912 1.00 1.69 O ATOM 1028 OE2 GLU A 64 13.227 -9.984 3.178 1.00 1.71 O ATOM 0 H GLU A 64 10.323 -5.861 2.459 1.00 0.57 H new ATOM 0 HA GLU A 64 9.041 -7.335 3.357 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.481 -7.473 5.159 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.115 -8.542 5.413 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.272 -9.380 3.119 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.524 -8.215 2.737 1.00 0.96 H new ATOM 1035 N SER A 65 8.350 -5.062 4.859 1.00 0.51 N ATOM 1036 CA SER A 65 7.528 -4.204 5.654 1.00 0.51 C ATOM 1037 C SER A 65 6.122 -4.451 5.225 1.00 0.43 C ATOM 1038 O SER A 65 5.895 -4.600 4.026 1.00 0.50 O ATOM 1039 CB SER A 65 7.750 -2.702 5.411 1.00 0.65 C ATOM 1040 OG SER A 65 9.047 -2.400 5.906 1.00 1.04 O ATOM 0 H SER A 65 8.657 -4.589 4.009 1.00 0.51 H new ATOM 0 HA SER A 65 7.761 -4.423 6.696 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.675 -2.466 4.350 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.992 -2.110 5.924 1.00 0.65 H new ATOM 0 HG SER A 65 9.602 -2.052 5.177 1.00 1.04 H new ATOM 1046 N THR A 66 5.145 -4.665 6.125 1.00 0.45 N ATOM 1047 CA THR A 66 3.790 -5.021 5.843 1.00 0.45 C ATOM 1048 C THR A 66 3.016 -3.753 5.951 1.00 0.43 C ATOM 1049 O THR A 66 2.829 -3.186 7.027 1.00 0.58 O ATOM 1050 CB THR A 66 3.173 -5.987 6.811 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.680 -7.307 6.675 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.662 -6.159 6.580 1.00 0.78 C ATOM 0 H THR A 66 5.318 -4.582 7.127 1.00 0.45 H new ATOM 0 HA THR A 66 3.772 -5.508 4.868 1.00 0.45 H new ATOM 0 HB THR A 66 3.407 -5.554 7.783 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.246 -7.893 7.329 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.261 -6.868 7.305 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.164 -5.197 6.699 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.489 -6.535 5.572 1.00 0.78 H new ATOM 1060 N LEU A 67 2.495 -3.252 4.817 1.00 0.38 N ATOM 1061 CA LEU A 67 1.546 -2.186 4.737 1.00 0.38 C ATOM 1062 C LEU A 67 0.206 -2.801 4.958 1.00 0.37 C ATOM 1063 O LEU A 67 0.022 -4.010 4.831 1.00 0.50 O ATOM 1064 CB LEU A 67 1.514 -1.608 3.312 1.00 0.46 C ATOM 1065 CG LEU A 67 2.582 -0.574 2.918 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.967 -1.121 3.301 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.444 -0.267 1.417 1.00 1.31 C ATOM 0 H LEU A 67 2.753 -3.615 3.899 1.00 0.38 H new ATOM 0 HA LEU A 67 1.801 -1.407 5.456 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.586 -2.442 2.614 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.537 -1.150 3.162 1.00 0.46 H new ATOM 0 HG LEU A 67 2.450 0.367 3.452 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.733 -0.396 3.026 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.004 -1.298 4.376 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.147 -2.057 2.773 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.196 0.466 1.125 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.587 -1.183 0.844 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.450 0.134 1.218 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.770 -1.957 5.338 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.139 -2.326 5.532 1.00 0.37 C ATOM 1081 C HIS A 68 -2.988 -1.714 4.472 1.00 0.35 C ATOM 1082 O HIS A 68 -2.786 -0.533 4.194 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.641 -1.972 6.942 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.599 -2.441 7.914 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.623 -1.629 8.456 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.369 -3.663 8.466 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.091 -2.384 9.332 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.269 -3.653 9.300 1.00 1.51 N ATOM 0 H HIS A 68 -0.596 -0.968 5.519 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.212 -3.410 5.448 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.799 -0.898 7.036 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.598 -2.454 7.142 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -1.975 -4.536 8.275 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.862 -1.991 9.978 1.00 1.41 H new ATOM 0 HE2 HIS A 68 0.164 -4.442 9.779 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.903 -2.429 3.792 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.788 -1.937 2.783 1.00 0.38 C ATOM 1098 C LEU A 69 -6.063 -1.720 3.524 1.00 0.41 C ATOM 1099 O LEU A 69 -6.590 -2.589 4.217 1.00 0.56 O ATOM 1100 CB LEU A 69 -5.035 -2.868 1.584 1.00 0.48 C ATOM 1101 CG LEU A 69 -6.047 -2.301 0.573 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.446 -1.094 -0.167 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.459 -3.411 -0.408 1.00 1.14 C ATOM 0 H LEU A 69 -4.032 -3.426 3.962 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.352 -1.053 2.318 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -4.089 -3.053 1.076 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.395 -3.830 1.948 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.936 -1.953 1.099 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.174 -0.704 -0.879 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.190 -0.317 0.553 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.548 -1.405 -0.700 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -7.176 -3.014 -1.126 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.578 -3.774 -0.937 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.915 -4.233 0.143 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.626 -0.523 3.277 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.884 0.005 3.703 1.00 0.56 C ATOM 1117 C VAL A 70 -8.542 0.426 2.434 1.00 0.55 C ATOM 1118 O VAL A 70 -7.808 0.667 1.477 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.677 1.096 4.711 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -8.932 1.959 4.921 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.249 0.390 6.008 1.00 0.97 C ATOM 0 H VAL A 70 -6.130 0.159 2.703 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.522 -0.704 4.231 1.00 0.56 H new ATOM 0 HB VAL A 70 -6.918 1.798 4.365 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.723 2.732 5.661 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.214 2.427 3.978 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.750 1.331 5.274 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.081 1.133 6.788 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -8.034 -0.297 6.324 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.328 -0.167 5.833 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.879 0.542 2.342 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.609 0.953 1.183 1.00 0.84 C ATOM 1133 C LEU A 71 -11.487 2.084 1.592 1.00 0.85 C ATOM 1134 O LEU A 71 -11.499 2.614 2.701 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.385 -0.171 0.476 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.531 -1.349 -0.023 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.470 -2.386 -0.662 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.479 -1.010 -1.094 1.00 2.78 C ATOM 0 H LEU A 71 -10.490 0.334 3.132 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.897 1.268 0.420 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.139 -0.556 1.162 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.916 0.257 -0.374 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.991 -1.698 0.857 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.886 -3.232 -1.024 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.189 -2.733 0.081 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.002 -1.929 -1.496 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.937 -1.914 -1.371 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.975 -0.600 -1.974 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.779 -0.275 -0.697 1.00 2.78 H new