USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 7 THR OG1 : rot 180:sc= 0.134 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0207 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 177:sc= 1.12 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 140:sc= 0.954 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.24 (180deg=1.14) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 1.27 (180deg=1.02) USER MOD Single : A 14 THR OG1 : rot -83:sc= 0.0412 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.0695 USER MOD Single : A 25 ASN : amide:sc= -0.0586 X(o=-0.059,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.3 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-2.2!,f=0) 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=-0.31) USER MOD Single : A 41 GLN : amide:sc= 0.156 K(o=0.16,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.04 K(o=1,f=-4.6!) USER MOD Single : A 55 THR OG1 : rot -73:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.363 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= 0.928 (180deg=-0.0897) USER MOD Single : A 65 SER OG : rot 101:sc= 1.08 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.034 -4.524 -3.837 1.00 0.78 N ATOM 2 CA MET A 1 12.720 -5.104 -2.512 1.00 0.70 C ATOM 3 C MET A 1 11.288 -5.441 -2.270 1.00 0.62 C ATOM 4 O MET A 1 10.297 -4.840 -2.682 1.00 0.68 O ATOM 5 CB MET A 1 13.221 -4.145 -1.419 1.00 0.75 C ATOM 6 CG MET A 1 12.547 -2.782 -1.255 1.00 0.79 C ATOM 7 SD MET A 1 13.472 -1.845 -0.001 1.00 1.10 S ATOM 8 CE MET A 1 12.204 -0.545 0.005 1.00 0.84 C ATOM 0 H1 MET A 1 13.975 -4.083 -3.809 1.00 0.78 H new ATOM 0 H2 MET A 1 13.026 -5.276 -4.556 1.00 0.78 H new ATOM 0 H3 MET A 1 12.322 -3.806 -4.079 1.00 0.78 H new ATOM 0 HA MET A 1 13.234 -6.065 -2.485 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.143 -4.666 -0.465 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.281 -3.967 -1.600 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.539 -2.244 -2.203 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.508 -2.905 -0.949 1.00 0.79 H new ATOM 0 HE1 MET A 1 12.484 0.233 0.715 1.00 0.84 H new ATOM 0 HE2 MET A 1 12.121 -0.113 -0.992 1.00 0.84 H new ATOM 0 HE3 MET A 1 11.245 -0.973 0.296 1.00 0.84 H new ATOM 20 N GLN A 2 10.992 -6.584 -1.626 1.00 0.59 N ATOM 21 CA GLN A 2 9.671 -7.087 -1.404 1.00 0.56 C ATOM 22 C GLN A 2 9.049 -6.424 -0.223 1.00 0.50 C ATOM 23 O GLN A 2 9.678 -6.176 0.804 1.00 0.60 O ATOM 24 CB GLN A 2 9.599 -8.621 -1.329 1.00 0.71 C ATOM 25 CG GLN A 2 9.948 -9.227 0.032 1.00 1.15 C ATOM 26 CD GLN A 2 10.263 -10.713 -0.073 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.417 -11.559 0.210 1.00 1.87 O ATOM 28 NE2 GLN A 2 11.541 -11.045 -0.400 1.00 1.72 N ATOM 0 H GLN A 2 11.715 -7.191 -1.239 1.00 0.59 H new ATOM 0 HA GLN A 2 9.082 -6.829 -2.284 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.591 -8.934 -1.600 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.274 -9.037 -2.077 1.00 0.71 H new ATOM 0 HG2 GLN A 2 10.806 -8.703 0.454 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.115 -9.080 0.719 1.00 1.15 H new ATOM 0 HE21 GLN A 2 12.215 -10.314 -0.629 1.00 1.72 H new ATOM 0 HE22 GLN A 2 11.825 -12.024 -0.416 1.00 1.72 H new ATOM 37 N ILE A 3 7.746 -6.100 -0.304 1.00 0.44 N ATOM 38 CA ILE A 3 6.984 -5.515 0.755 1.00 0.42 C ATOM 39 C ILE A 3 5.728 -6.308 0.864 1.00 0.40 C ATOM 40 O ILE A 3 5.435 -7.118 -0.013 1.00 0.50 O ATOM 41 CB ILE A 3 6.673 -4.050 0.665 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.046 -3.732 -0.703 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.067 -3.477 0.970 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.556 -2.284 -0.743 1.00 0.72 C ATOM 0 H ILE A 3 7.197 -6.254 -1.150 1.00 0.44 H new ATOM 0 HA ILE A 3 7.615 -5.558 1.642 1.00 0.42 H new ATOM 0 HB ILE A 3 5.923 -3.629 1.335 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.779 -3.896 -1.493 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.214 -4.409 -0.895 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.026 -2.388 0.946 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.387 -3.806 1.958 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.777 -3.830 0.222 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.115 -2.076 -1.718 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.807 -2.132 0.034 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.396 -1.611 -0.574 1.00 0.72 H new ATOM 56 N PHE A 4 5.087 -6.206 2.042 1.00 0.37 N ATOM 57 CA PHE A 4 3.918 -6.965 2.363 1.00 0.38 C ATOM 58 C PHE A 4 2.748 -6.091 2.662 1.00 0.39 C ATOM 59 O PHE A 4 2.564 -5.536 3.744 1.00 0.60 O ATOM 60 CB PHE A 4 4.168 -7.821 3.615 1.00 0.45 C ATOM 61 CG PHE A 4 5.300 -8.769 3.415 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.407 -9.595 2.321 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.295 -8.688 4.361 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.456 -10.481 2.247 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.295 -9.628 4.281 1.00 1.40 C ATOM 66 CZ PHE A 4 7.459 -10.445 3.188 1.00 0.85 C ATOM 0 H PHE A 4 5.388 -5.581 2.790 1.00 0.37 H new ATOM 0 HA PHE A 4 3.703 -7.583 1.491 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.382 -7.171 4.464 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.265 -8.379 3.861 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.675 -9.548 1.528 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.291 -7.926 5.126 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.493 -11.207 1.448 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.979 -9.729 5.110 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.351 -11.043 3.071 1.00 0.85 H new ATOM 76 N VAL A 5 1.863 -5.936 1.662 1.00 0.35 N ATOM 77 CA VAL A 5 0.665 -5.173 1.830 1.00 0.35 C ATOM 78 C VAL A 5 -0.341 -6.177 2.279 1.00 0.35 C ATOM 79 O VAL A 5 -0.769 -7.039 1.513 1.00 0.46 O ATOM 80 CB VAL A 5 0.200 -4.451 0.601 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.065 -3.616 0.865 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.282 -3.551 -0.021 1.00 0.56 C ATOM 0 H VAL A 5 1.977 -6.341 0.733 1.00 0.35 H new ATOM 0 HA VAL A 5 0.830 -4.363 2.540 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.033 -5.239 -0.115 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.366 -3.111 -0.053 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.870 -4.271 1.199 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.857 -2.874 1.636 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.880 -3.058 -0.906 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.591 -2.799 0.705 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.142 -4.158 -0.303 1.00 0.56 H new ATOM 92 N LYS A 6 -0.837 -6.133 3.528 1.00 0.36 N ATOM 93 CA LYS A 6 -1.837 -7.006 4.062 1.00 0.39 C ATOM 94 C LYS A 6 -3.200 -6.444 3.849 1.00 0.46 C ATOM 95 O LYS A 6 -3.465 -5.244 3.881 1.00 0.53 O ATOM 96 CB LYS A 6 -1.752 -7.059 5.597 1.00 0.54 C ATOM 97 CG LYS A 6 -0.416 -7.574 6.137 1.00 1.22 C ATOM 98 CD LYS A 6 -0.479 -9.103 6.088 1.00 1.37 C ATOM 99 CE LYS A 6 0.838 -9.747 6.525 1.00 1.93 C ATOM 100 NZ LYS A 6 0.692 -11.220 6.527 1.00 2.09 N ATOM 0 H LYS A 6 -0.519 -5.443 4.209 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.675 -7.968 3.576 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.930 -6.059 5.994 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.552 -7.697 5.972 1.00 0.54 H new ATOM 0 HG2 LYS A 6 0.413 -7.202 5.536 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.251 -7.226 7.157 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.285 -9.453 6.733 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.720 -9.423 5.074 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.641 -9.452 5.850 1.00 1.93 H new ATOM 0 HE3 LYS A 6 1.113 -9.397 7.520 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 1.602 -11.659 6.775 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.027 -11.497 7.225 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.399 -11.541 5.582 1.00 2.09 H new ATOM 114 N THR A 7 -4.168 -7.320 3.523 1.00 0.58 N ATOM 115 CA THR A 7 -5.542 -6.925 3.455 1.00 0.78 C ATOM 116 C THR A 7 -6.439 -7.096 4.632 1.00 0.94 C ATOM 117 O THR A 7 -5.979 -7.615 5.648 1.00 0.99 O ATOM 118 CB THR A 7 -6.232 -7.525 2.266 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.440 -8.928 2.343 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.408 -7.173 1.017 1.00 0.92 C ATOM 0 H THR A 7 -3.999 -8.302 3.306 1.00 0.58 H new ATOM 0 HA THR A 7 -5.403 -5.846 3.394 1.00 0.78 H new ATOM 0 HB THR A 7 -7.235 -7.101 2.225 1.00 0.90 H new ATOM 0 HG1 THR A 7 -6.895 -9.236 1.532 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.886 -7.597 0.134 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.350 -6.090 0.913 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.403 -7.583 1.117 1.00 0.92 H new ATOM 128 N LEU A 8 -7.701 -6.640 4.543 1.00 1.17 N ATOM 129 CA LEU A 8 -8.687 -6.669 5.577 1.00 1.39 C ATOM 130 C LEU A 8 -9.062 -8.074 5.901 1.00 1.44 C ATOM 131 O LEU A 8 -9.170 -8.406 7.081 1.00 1.60 O ATOM 132 CB LEU A 8 -9.827 -5.697 5.230 1.00 1.66 C ATOM 133 CG LEU A 8 -10.866 -5.450 6.338 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.384 -4.605 7.530 1.00 2.53 C ATOM 135 CD2 LEU A 8 -12.117 -4.707 5.842 1.00 2.43 C ATOM 0 H LEU A 8 -8.057 -6.220 3.684 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.295 -6.293 6.522 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.388 -4.739 4.951 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.347 -6.078 4.351 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.071 -6.473 6.652 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.195 -4.494 8.249 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.539 -5.100 8.009 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -10.075 -3.621 7.177 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -12.809 -4.565 6.672 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.828 -3.736 5.440 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.602 -5.293 5.061 1.00 2.43 H new ATOM 147 N THR A 9 -9.266 -8.926 4.879 1.00 1.41 N ATOM 148 CA THR A 9 -9.799 -10.229 5.130 1.00 1.51 C ATOM 149 C THR A 9 -8.917 -11.307 5.658 1.00 1.37 C ATOM 150 O THR A 9 -9.216 -11.940 6.670 1.00 1.62 O ATOM 151 CB THR A 9 -10.564 -10.691 3.925 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.822 -10.554 2.722 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.709 -9.710 3.623 1.00 2.08 C ATOM 0 H THR A 9 -9.067 -8.719 3.900 1.00 1.41 H new ATOM 0 HA THR A 9 -10.433 -10.061 6.000 1.00 1.51 H new ATOM 0 HB THR A 9 -10.847 -11.717 4.161 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.362 -10.869 1.967 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.260 -10.052 2.747 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.382 -9.662 4.479 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.298 -8.719 3.429 1.00 2.08 H new ATOM 161 N GLY A 10 -7.765 -11.453 4.980 1.00 1.18 N ATOM 162 CA GLY A 10 -6.661 -12.310 5.282 1.00 1.22 C ATOM 163 C GLY A 10 -5.711 -12.709 4.208 1.00 0.99 C ATOM 164 O GLY A 10 -5.150 -13.804 4.247 1.00 1.31 O ATOM 0 H GLY A 10 -7.592 -10.913 4.132 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.079 -11.824 6.065 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.069 -13.226 5.710 1.00 1.22 H new ATOM 168 N LYS A 11 -5.473 -11.825 3.222 1.00 0.73 N ATOM 169 CA LYS A 11 -4.542 -12.157 2.189 1.00 0.60 C ATOM 170 C LYS A 11 -3.345 -11.281 2.336 1.00 0.51 C ATOM 171 O LYS A 11 -3.434 -10.141 2.789 1.00 0.63 O ATOM 172 CB LYS A 11 -5.146 -12.035 0.779 1.00 0.75 C ATOM 173 CG LYS A 11 -4.258 -12.535 -0.361 1.00 0.87 C ATOM 174 CD LYS A 11 -3.996 -11.407 -1.360 1.00 1.04 C ATOM 175 CE LYS A 11 -3.289 -11.848 -2.642 1.00 1.30 C ATOM 176 NZ LYS A 11 -4.314 -12.129 -3.671 1.00 1.40 N ATOM 0 H LYS A 11 -5.910 -10.907 3.140 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.262 -13.204 2.300 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.085 -12.589 0.755 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.389 -10.988 0.596 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.313 -12.903 0.039 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.739 -13.373 -0.866 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.947 -10.945 -1.625 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -3.394 -10.640 -0.873 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -2.610 -11.069 -2.987 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -2.686 -12.737 -2.455 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -3.911 -12.750 -4.402 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.130 -12.599 -3.229 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -4.623 -11.236 -4.106 1.00 1.40 H new ATOM 190 N THR A 12 -2.136 -11.733 1.960 1.00 0.49 N ATOM 191 CA THR A 12 -0.979 -10.895 1.913 1.00 0.48 C ATOM 192 C THR A 12 -0.721 -10.599 0.475 1.00 0.52 C ATOM 193 O THR A 12 -0.744 -11.496 -0.366 1.00 0.72 O ATOM 194 CB THR A 12 0.227 -11.492 2.576 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.122 -11.910 3.887 1.00 0.77 O ATOM 196 CG2 THR A 12 1.412 -10.522 2.725 1.00 0.78 C ATOM 0 H THR A 12 -1.959 -12.699 1.683 1.00 0.49 H new ATOM 0 HA THR A 12 -1.173 -9.985 2.480 1.00 0.48 H new ATOM 0 HB THR A 12 0.539 -12.312 1.930 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.309 -12.768 4.083 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.241 -11.033 3.214 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.727 -10.179 1.740 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.108 -9.666 3.328 1.00 0.78 H new ATOM 204 N ILE A 13 -0.376 -9.337 0.165 1.00 0.48 N ATOM 205 CA ILE A 13 0.002 -8.900 -1.143 1.00 0.55 C ATOM 206 C ILE A 13 1.474 -8.671 -1.182 1.00 0.51 C ATOM 207 O ILE A 13 1.997 -7.632 -0.784 1.00 0.56 O ATOM 208 CB ILE A 13 -0.791 -7.780 -1.749 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.271 -7.853 -1.338 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.759 -7.881 -3.283 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.193 -6.734 -1.821 1.00 1.55 C ATOM 0 H ILE A 13 -0.360 -8.588 0.857 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.266 -9.719 -1.810 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.344 -6.850 -1.396 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.674 -8.800 -1.698 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.317 -7.880 -0.249 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.337 -7.064 -3.714 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.272 -7.818 -3.630 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.189 -8.833 -3.594 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.205 -6.914 -1.458 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.835 -5.778 -1.440 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.198 -6.711 -2.911 1.00 1.55 H new ATOM 223 N THR A 14 2.243 -9.698 -1.588 1.00 0.55 N ATOM 224 CA THR A 14 3.656 -9.563 -1.770 1.00 0.54 C ATOM 225 C THR A 14 3.933 -8.889 -3.069 1.00 0.55 C ATOM 226 O THR A 14 3.622 -9.472 -4.107 1.00 0.72 O ATOM 227 CB THR A 14 4.483 -10.814 -1.715 1.00 0.67 C ATOM 228 OG1 THR A 14 4.169 -11.447 -0.484 1.00 1.08 O ATOM 229 CG2 THR A 14 5.967 -10.453 -1.533 1.00 1.03 C ATOM 0 H THR A 14 1.882 -10.630 -1.792 1.00 0.55 H new ATOM 0 HA THR A 14 3.963 -8.980 -0.902 1.00 0.54 H new ATOM 0 HB THR A 14 4.301 -11.403 -2.614 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.697 -11.043 0.236 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.561 -11.366 -1.494 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.298 -9.840 -2.372 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.095 -9.897 -0.604 1.00 1.03 H new ATOM 237 N LEU A 15 4.545 -7.691 -3.032 1.00 0.50 N ATOM 238 CA LEU A 15 4.864 -6.937 -4.202 1.00 0.55 C ATOM 239 C LEU A 15 6.323 -6.640 -4.140 1.00 0.52 C ATOM 240 O LEU A 15 6.876 -6.467 -3.056 1.00 0.58 O ATOM 241 CB LEU A 15 4.013 -5.659 -4.295 1.00 0.69 C ATOM 242 CG LEU A 15 2.485 -5.830 -4.357 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.702 -4.518 -4.189 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.998 -6.483 -5.661 1.00 1.55 C ATOM 0 H LEU A 15 4.825 -7.235 -2.163 1.00 0.50 H new ATOM 0 HA LEU A 15 4.636 -7.503 -5.105 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.248 -5.034 -3.433 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.327 -5.109 -5.182 1.00 0.69 H new ATOM 0 HG LEU A 15 2.283 -6.485 -3.510 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.633 -4.723 -4.245 1.00 1.38 H new ATOM 0 HD12 LEU A 15 1.937 -4.075 -3.221 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.980 -3.824 -4.982 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.912 -6.574 -5.639 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.293 -5.866 -6.509 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.443 -7.473 -5.760 1.00 1.55 H new ATOM 256 N GLU A 16 6.879 -6.552 -5.363 1.00 0.59 N ATOM 257 CA GLU A 16 8.167 -5.988 -5.618 1.00 0.63 C ATOM 258 C GLU A 16 8.245 -4.511 -5.798 1.00 0.65 C ATOM 259 O GLU A 16 7.840 -4.024 -6.854 1.00 0.81 O ATOM 260 CB GLU A 16 8.756 -6.727 -6.830 1.00 0.76 C ATOM 261 CG GLU A 16 10.140 -6.278 -7.302 1.00 1.41 C ATOM 262 CD GLU A 16 10.636 -7.264 -8.351 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.663 -8.479 -8.018 1.00 1.92 O ATOM 264 OE2 GLU A 16 11.008 -6.753 -9.441 1.00 1.95 O ATOM 0 H GLU A 16 6.412 -6.887 -6.206 1.00 0.59 H new ATOM 0 HA GLU A 16 8.748 -6.132 -4.707 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.806 -7.789 -6.590 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.061 -6.622 -7.663 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.090 -5.273 -7.721 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.833 -6.239 -6.461 1.00 1.41 H new ATOM 271 N VAL A 17 8.821 -3.713 -4.881 1.00 0.61 N ATOM 272 CA VAL A 17 8.881 -2.293 -5.028 1.00 0.63 C ATOM 273 C VAL A 17 10.299 -1.837 -4.999 1.00 0.65 C ATOM 274 O VAL A 17 11.168 -2.537 -4.482 1.00 0.76 O ATOM 275 CB VAL A 17 8.206 -1.517 -3.936 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.715 -1.863 -4.096 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.782 -1.943 -2.574 1.00 0.92 C ATOM 0 H VAL A 17 9.252 -4.060 -4.024 1.00 0.61 H new ATOM 0 HA VAL A 17 8.370 -2.104 -5.972 1.00 0.63 H new ATOM 0 HB VAL A 17 8.359 -0.439 -3.992 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.136 -1.339 -3.336 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.375 -1.558 -5.086 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.576 -2.938 -3.980 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.292 -1.380 -1.780 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.609 -3.009 -2.423 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.853 -1.743 -2.553 1.00 0.92 H new ATOM 287 N GLU A 18 10.536 -0.592 -5.451 1.00 0.68 N ATOM 288 CA GLU A 18 11.737 0.155 -5.238 1.00 0.74 C ATOM 289 C GLU A 18 11.451 1.311 -4.342 1.00 0.71 C ATOM 290 O GLU A 18 10.283 1.684 -4.249 1.00 0.74 O ATOM 291 CB GLU A 18 12.406 0.642 -6.534 1.00 0.88 C ATOM 292 CG GLU A 18 12.634 -0.513 -7.510 1.00 1.16 C ATOM 293 CD GLU A 18 13.420 -0.017 -8.716 1.00 1.71 C ATOM 294 OE1 GLU A 18 12.992 1.017 -9.297 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.582 -0.466 -8.898 1.00 2.35 O ATOM 0 H GLU A 18 9.847 -0.076 -5.998 1.00 0.68 H new ATOM 0 HA GLU A 18 12.449 -0.526 -4.772 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.781 1.401 -7.005 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.359 1.115 -6.298 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.178 -1.318 -7.015 1.00 1.16 H new ATOM 0 HG3 GLU A 18 11.677 -0.925 -7.831 1.00 1.16 H new ATOM 302 N PRO A 19 12.327 1.946 -3.621 1.00 0.74 N ATOM 303 CA PRO A 19 11.873 2.900 -2.651 1.00 0.74 C ATOM 304 C PRO A 19 11.685 4.241 -3.272 1.00 0.70 C ATOM 305 O PRO A 19 11.257 5.200 -2.629 1.00 0.74 O ATOM 306 CB PRO A 19 13.019 2.897 -1.642 1.00 0.86 C ATOM 307 CG PRO A 19 14.303 2.541 -2.408 1.00 0.95 C ATOM 308 CD PRO A 19 13.701 1.525 -3.391 1.00 0.82 C ATOM 0 HA PRO A 19 10.907 2.661 -2.207 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.114 3.873 -1.166 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.831 2.173 -0.850 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.751 3.400 -2.907 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.072 2.108 -1.768 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.264 1.506 -4.324 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.735 0.517 -2.978 1.00 0.82 H new ATOM 316 N SER A 20 11.971 4.314 -4.583 1.00 0.70 N ATOM 317 CA SER A 20 11.814 5.407 -5.492 1.00 0.74 C ATOM 318 C SER A 20 10.471 5.385 -6.136 1.00 0.71 C ATOM 319 O SER A 20 10.096 6.396 -6.727 1.00 0.80 O ATOM 320 CB SER A 20 12.823 5.356 -6.652 1.00 0.89 C ATOM 321 OG SER A 20 12.896 4.107 -7.324 1.00 1.45 O ATOM 0 H SER A 20 12.361 3.503 -5.062 1.00 0.70 H new ATOM 0 HA SER A 20 11.964 6.301 -4.886 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.562 6.127 -7.376 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.812 5.603 -6.266 1.00 0.89 H new ATOM 0 HG SER A 20 13.557 4.162 -8.045 1.00 1.45 H new ATOM 327 N ASP A 21 9.738 4.260 -6.049 1.00 0.70 N ATOM 328 CA ASP A 21 8.389 4.112 -6.501 1.00 0.73 C ATOM 329 C ASP A 21 7.520 4.947 -5.624 1.00 0.64 C ATOM 330 O ASP A 21 7.623 5.101 -4.408 1.00 0.66 O ATOM 331 CB ASP A 21 7.988 2.628 -6.453 1.00 0.87 C ATOM 332 CG ASP A 21 8.683 1.860 -7.569 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.955 2.465 -8.640 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.880 0.626 -7.410 1.00 1.50 O ATOM 0 H ASP A 21 10.110 3.403 -5.639 1.00 0.70 H new ATOM 0 HA ASP A 21 8.279 4.444 -7.533 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.257 2.202 -5.486 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.907 2.532 -6.554 1.00 0.87 H new ATOM 339 N THR A 22 6.510 5.556 -6.271 1.00 0.63 N ATOM 340 CA THR A 22 5.490 6.300 -5.601 1.00 0.58 C ATOM 341 C THR A 22 4.455 5.401 -5.017 1.00 0.53 C ATOM 342 O THR A 22 4.262 4.247 -5.394 1.00 0.58 O ATOM 343 CB THR A 22 4.820 7.354 -6.432 1.00 0.63 C ATOM 344 OG1 THR A 22 4.300 6.875 -7.664 1.00 0.70 O ATOM 345 CG2 THR A 22 5.850 8.479 -6.626 1.00 0.75 C ATOM 0 H THR A 22 6.400 5.530 -7.285 1.00 0.63 H new ATOM 0 HA THR A 22 6.025 6.827 -4.811 1.00 0.58 H new ATOM 0 HB THR A 22 3.933 7.718 -5.913 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.022 7.634 -8.219 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.411 9.275 -7.227 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.141 8.877 -5.654 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.729 8.084 -7.135 1.00 0.75 H new ATOM 353 N ILE A 23 3.636 5.840 -4.044 1.00 0.51 N ATOM 354 CA ILE A 23 2.498 5.156 -3.512 1.00 0.48 C ATOM 355 C ILE A 23 1.411 5.025 -4.522 1.00 0.48 C ATOM 356 O ILE A 23 0.660 4.056 -4.623 1.00 0.51 O ATOM 357 CB ILE A 23 2.119 5.775 -2.198 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.248 5.740 -1.154 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.851 5.070 -1.687 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.659 4.358 -0.648 1.00 0.73 C ATOM 0 H ILE A 23 3.782 6.744 -3.595 1.00 0.51 H new ATOM 0 HA ILE A 23 2.739 4.117 -3.286 1.00 0.48 H new ATOM 0 HB ILE A 23 1.927 6.836 -2.359 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.126 6.222 -1.583 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.941 6.341 -0.298 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.554 5.502 -0.731 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.046 5.200 -2.410 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.053 4.007 -1.557 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.462 4.462 0.082 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.803 3.873 -0.180 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.006 3.752 -1.485 1.00 0.73 H new ATOM 372 N GLU A 24 1.395 5.981 -5.468 1.00 0.50 N ATOM 373 CA GLU A 24 0.656 6.026 -6.690 1.00 0.53 C ATOM 374 C GLU A 24 0.972 4.828 -7.516 1.00 0.50 C ATOM 375 O GLU A 24 0.134 4.129 -8.084 1.00 0.55 O ATOM 376 CB GLU A 24 0.805 7.384 -7.396 1.00 0.64 C ATOM 377 CG GLU A 24 -0.032 7.343 -8.677 1.00 0.95 C ATOM 378 CD GLU A 24 0.023 8.673 -9.415 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.065 9.025 -10.029 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.058 9.314 -9.316 1.00 1.56 O ATOM 0 H GLU A 24 1.968 6.818 -5.359 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.413 5.965 -6.485 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.468 8.191 -6.746 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.851 7.579 -7.630 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.333 6.548 -9.327 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.066 7.104 -8.431 1.00 0.95 H new ATOM 387 N ASN A 25 2.275 4.512 -7.617 1.00 0.51 N ATOM 388 CA ASN A 25 2.863 3.390 -8.281 1.00 0.52 C ATOM 389 C ASN A 25 2.487 2.104 -7.630 1.00 0.47 C ATOM 390 O ASN A 25 2.040 1.225 -8.365 1.00 0.53 O ATOM 391 CB ASN A 25 4.383 3.487 -8.498 1.00 0.64 C ATOM 392 CG ASN A 25 4.927 2.669 -9.661 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.787 1.815 -9.460 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.436 2.951 -10.897 1.00 1.57 N ATOM 0 H ASN A 25 2.987 5.104 -7.189 1.00 0.51 H new ATOM 0 HA ASN A 25 2.435 3.411 -9.283 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.645 4.533 -8.657 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.885 3.168 -7.585 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.782 2.443 -11.711 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.722 3.670 -11.010 1.00 1.57 H new ATOM 401 N VAL A 26 2.651 1.909 -6.308 1.00 0.45 N ATOM 402 CA VAL A 26 2.295 0.772 -5.518 1.00 0.44 C ATOM 403 C VAL A 26 0.833 0.514 -5.652 1.00 0.40 C ATOM 404 O VAL A 26 0.477 -0.649 -5.833 1.00 0.44 O ATOM 405 CB VAL A 26 2.547 1.020 -4.060 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.051 -0.190 -3.251 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.074 1.079 -3.892 1.00 0.62 C ATOM 0 H VAL A 26 3.082 2.632 -5.732 1.00 0.45 H new ATOM 0 HA VAL A 26 2.896 -0.067 -5.869 1.00 0.44 H new ATOM 0 HB VAL A 26 2.047 1.929 -3.725 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.231 -0.017 -2.190 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.983 -0.328 -3.420 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.587 -1.084 -3.569 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.318 1.258 -2.845 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.512 0.133 -4.210 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.476 1.888 -4.502 1.00 0.62 H new ATOM 417 N LYS A 27 -0.051 1.526 -5.734 1.00 0.40 N ATOM 418 CA LYS A 27 -1.449 1.345 -5.970 1.00 0.41 C ATOM 419 C LYS A 27 -1.808 0.813 -7.314 1.00 0.38 C ATOM 420 O LYS A 27 -2.737 0.022 -7.468 1.00 0.42 O ATOM 421 CB LYS A 27 -2.337 2.588 -5.781 1.00 0.51 C ATOM 422 CG LYS A 27 -2.472 3.060 -4.332 1.00 0.76 C ATOM 423 CD LYS A 27 -3.334 4.317 -4.201 1.00 0.82 C ATOM 424 CE LYS A 27 -3.543 4.712 -2.739 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.225 6.025 -2.784 1.00 1.11 N ATOM 0 H LYS A 27 0.218 2.505 -5.632 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.652 0.612 -5.189 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.930 3.404 -6.378 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.331 2.371 -6.173 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.908 2.261 -3.733 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.481 3.260 -3.925 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.860 5.140 -4.736 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.301 4.145 -4.673 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -4.148 3.972 -2.214 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.592 4.780 -2.210 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.370 6.374 -1.815 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.639 6.703 -3.312 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.146 5.922 -3.256 1.00 1.11 H new ATOM 439 N ALA A 28 -1.057 1.238 -8.346 1.00 0.39 N ATOM 440 CA ALA A 28 -1.091 0.612 -9.631 1.00 0.39 C ATOM 441 C ALA A 28 -0.604 -0.796 -9.639 1.00 0.36 C ATOM 442 O ALA A 28 -1.070 -1.654 -10.388 1.00 0.42 O ATOM 443 CB ALA A 28 -0.269 1.475 -10.603 1.00 0.51 C ATOM 0 H ALA A 28 -0.416 2.029 -8.287 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.135 0.548 -9.939 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.279 1.018 -11.593 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.703 2.473 -10.660 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.759 1.546 -10.247 1.00 0.51 H new ATOM 449 N LYS A 29 0.253 -1.219 -8.693 1.00 0.39 N ATOM 450 CA LYS A 29 0.609 -2.603 -8.630 1.00 0.43 C ATOM 451 C LYS A 29 -0.414 -3.400 -7.897 1.00 0.44 C ATOM 452 O LYS A 29 -0.602 -4.599 -8.101 1.00 0.54 O ATOM 453 CB LYS A 29 1.919 -2.816 -7.853 1.00 0.54 C ATOM 454 CG LYS A 29 3.135 -2.045 -8.372 1.00 0.65 C ATOM 455 CD LYS A 29 3.479 -2.336 -9.835 1.00 1.08 C ATOM 456 CE LYS A 29 4.493 -1.314 -10.353 1.00 1.24 C ATOM 457 NZ LYS A 29 4.987 -1.692 -11.696 1.00 1.44 N ATOM 0 H LYS A 29 0.689 -0.623 -7.990 1.00 0.39 H new ATOM 0 HA LYS A 29 0.700 -2.923 -9.668 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.752 -2.536 -6.813 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.156 -3.880 -7.863 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.951 -0.977 -8.258 1.00 0.65 H new ATOM 0 HG3 LYS A 29 3.998 -2.287 -7.752 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.887 -3.343 -9.927 1.00 1.08 H new ATOM 0 HD3 LYS A 29 2.575 -2.302 -10.443 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.031 -0.328 -10.396 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.331 -1.244 -9.660 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 5.673 -0.983 -12.026 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.447 -2.623 -11.647 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.188 -1.735 -12.360 1.00 1.44 H new ATOM 471 N ILE A 30 -1.188 -2.788 -6.984 1.00 0.41 N ATOM 472 CA ILE A 30 -2.263 -3.440 -6.303 1.00 0.44 C ATOM 473 C ILE A 30 -3.462 -3.554 -7.179 1.00 0.45 C ATOM 474 O ILE A 30 -4.097 -4.604 -7.104 1.00 0.56 O ATOM 475 CB ILE A 30 -2.728 -2.795 -5.031 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.506 -2.844 -4.097 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.963 -3.370 -4.320 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.543 -2.021 -2.811 1.00 1.32 C ATOM 0 H ILE A 30 -1.063 -1.813 -6.712 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.829 -4.406 -6.045 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.086 -1.800 -5.295 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.341 -3.885 -3.820 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.636 -2.525 -4.671 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.166 -2.792 -3.419 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.824 -3.317 -4.986 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.776 -4.409 -4.050 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.611 -2.161 -2.263 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.664 -0.966 -3.057 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.380 -2.348 -2.194 1.00 1.32 H new ATOM 490 N GLN A 31 -3.589 -2.585 -8.104 1.00 0.41 N ATOM 491 CA GLN A 31 -4.594 -2.590 -9.122 1.00 0.48 C ATOM 492 C GLN A 31 -4.387 -3.704 -10.091 1.00 0.52 C ATOM 493 O GLN A 31 -5.302 -4.450 -10.438 1.00 0.66 O ATOM 494 CB GLN A 31 -4.503 -1.270 -9.905 1.00 0.52 C ATOM 495 CG GLN A 31 -5.526 -1.041 -11.020 1.00 0.70 C ATOM 496 CD GLN A 31 -5.405 0.337 -11.653 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.426 1.144 -11.164 1.00 1.70 O flip ATOM 498 NE2 GLN A 31 -6.096 0.688 -12.609 1.00 1.43 N flip ATOM 0 H GLN A 31 -2.973 -1.773 -8.145 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.564 -2.714 -8.640 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.591 -0.449 -9.193 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.507 -1.206 -10.343 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.396 -1.802 -11.789 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.531 -1.164 -10.616 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -6.827 0.071 -12.964 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.938 1.596 -13.046 1.00 1.43 H new ATOM 507 N ASP A 32 -3.120 -3.904 -10.494 1.00 0.50 N ATOM 508 CA ASP A 32 -2.666 -5.051 -11.216 1.00 0.60 C ATOM 509 C ASP A 32 -3.048 -6.383 -10.668 1.00 0.65 C ATOM 510 O ASP A 32 -3.401 -7.274 -11.439 1.00 0.81 O ATOM 511 CB ASP A 32 -1.178 -4.897 -11.578 1.00 0.67 C ATOM 512 CG ASP A 32 -0.704 -6.065 -12.429 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.061 -6.094 -13.637 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.077 -6.918 -11.932 1.00 1.55 O ATOM 0 H ASP A 32 -2.376 -3.232 -10.307 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.238 -5.064 -12.144 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.026 -3.963 -12.118 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.582 -4.840 -10.667 1.00 0.67 H new ATOM 519 N LYS A 33 -2.996 -6.482 -9.328 1.00 0.62 N ATOM 520 CA LYS A 33 -3.285 -7.680 -8.601 1.00 0.73 C ATOM 521 C LYS A 33 -4.703 -7.965 -8.245 1.00 0.69 C ATOM 522 O LYS A 33 -5.295 -8.992 -8.573 1.00 0.83 O ATOM 523 CB LYS A 33 -2.446 -7.670 -7.312 1.00 0.85 C ATOM 524 CG LYS A 33 -2.340 -9.045 -6.646 1.00 1.31 C ATOM 525 CD LYS A 33 -2.060 -10.277 -7.510 1.00 1.71 C ATOM 526 CE LYS A 33 -0.760 -10.336 -8.315 1.00 2.26 C ATOM 527 NZ LYS A 33 -0.755 -11.515 -9.209 1.00 2.62 N ATOM 0 H LYS A 33 -2.743 -5.698 -8.727 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.034 -8.479 -9.298 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.444 -7.307 -7.542 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.886 -6.965 -6.606 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.552 -8.985 -5.896 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -3.274 -9.224 -6.114 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -2.083 -11.149 -6.857 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -2.887 -10.382 -8.212 1.00 1.71 H new ATOM 0 HE2 LYS A 33 -0.649 -9.426 -8.904 1.00 2.26 H new ATOM 0 HE3 LYS A 33 0.092 -10.383 -7.637 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 0.135 -11.539 -9.747 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 -0.839 -12.382 -8.641 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 -1.557 -11.454 -9.868 1.00 2.62 H new ATOM 541 N GLU A 34 -5.271 -7.046 -7.444 1.00 0.63 N ATOM 542 CA GLU A 34 -6.575 -7.152 -6.867 1.00 0.67 C ATOM 543 C GLU A 34 -7.626 -6.463 -7.669 1.00 0.69 C ATOM 544 O GLU A 34 -8.810 -6.664 -7.404 1.00 0.95 O ATOM 545 CB GLU A 34 -6.406 -6.523 -5.474 1.00 0.73 C ATOM 546 CG GLU A 34 -5.693 -7.363 -4.413 1.00 0.83 C ATOM 547 CD GLU A 34 -6.106 -8.816 -4.224 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.332 -9.055 -4.053 1.00 1.37 O ATOM 549 OE2 GLU A 34 -5.254 -9.741 -4.297 1.00 1.48 O ATOM 0 H GLU A 34 -4.794 -6.182 -7.185 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.921 -8.185 -6.828 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.859 -5.588 -5.589 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.396 -6.268 -5.095 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.628 -7.351 -4.644 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.817 -6.858 -3.455 1.00 0.83 H new ATOM 556 N GLY A 35 -7.356 -5.623 -8.684 1.00 0.63 N ATOM 557 CA GLY A 35 -8.268 -4.912 -9.525 1.00 0.68 C ATOM 558 C GLY A 35 -8.973 -3.728 -8.961 1.00 0.76 C ATOM 559 O GLY A 35 -10.078 -3.303 -9.296 1.00 1.12 O ATOM 0 H GLY A 35 -6.390 -5.422 -8.941 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.719 -4.583 -10.407 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.025 -5.618 -9.866 1.00 0.68 H new ATOM 563 N ILE A 36 -8.367 -3.103 -7.936 1.00 0.70 N ATOM 564 CA ILE A 36 -8.945 -2.085 -7.114 1.00 0.76 C ATOM 565 C ILE A 36 -8.486 -0.740 -7.561 1.00 0.71 C ATOM 566 O ILE A 36 -7.295 -0.587 -7.832 1.00 0.73 O ATOM 567 CB ILE A 36 -8.559 -2.261 -5.675 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.805 -3.711 -5.227 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.360 -1.274 -4.809 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.509 -4.030 -3.761 1.00 1.16 C ATOM 0 H ILE A 36 -7.409 -3.324 -7.664 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.028 -2.167 -7.208 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.496 -2.052 -5.556 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.848 -3.958 -5.426 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.197 -4.368 -5.849 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.082 -1.399 -3.763 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.141 -0.254 -5.123 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.426 -1.469 -4.927 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.721 -5.082 -3.567 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.459 -3.827 -3.549 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.135 -3.410 -3.120 1.00 1.16 H new ATOM 582 N PRO A 37 -9.256 0.288 -7.757 1.00 0.75 N ATOM 583 CA PRO A 37 -8.836 1.556 -8.278 1.00 0.79 C ATOM 584 C PRO A 37 -8.038 2.362 -7.311 1.00 0.75 C ATOM 585 O PRO A 37 -8.174 2.173 -6.104 1.00 0.75 O ATOM 586 CB PRO A 37 -10.143 2.234 -8.686 1.00 0.95 C ATOM 587 CG PRO A 37 -11.350 1.502 -8.078 1.00 1.02 C ATOM 588 CD PRO A 37 -10.703 0.142 -7.773 1.00 0.85 C ATOM 0 HA PRO A 37 -8.147 1.443 -9.115 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.138 3.273 -8.356 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.228 2.245 -9.773 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.730 1.994 -7.183 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -12.184 1.421 -8.775 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.052 -0.232 -6.811 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.997 -0.590 -8.525 1.00 0.85 H new ATOM 596 N PRO A 38 -7.144 3.248 -7.638 1.00 0.81 N ATOM 597 CA PRO A 38 -6.348 3.903 -6.642 1.00 0.85 C ATOM 598 C PRO A 38 -7.145 4.800 -5.759 1.00 0.89 C ATOM 599 O PRO A 38 -6.830 4.892 -4.574 1.00 0.99 O ATOM 600 CB PRO A 38 -5.348 4.678 -7.498 1.00 1.01 C ATOM 601 CG PRO A 38 -5.123 3.811 -8.746 1.00 1.25 C ATOM 602 CD PRO A 38 -6.560 3.313 -8.969 1.00 0.98 C ATOM 0 HA PRO A 38 -5.886 3.210 -5.939 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.738 5.660 -7.767 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.414 4.842 -6.960 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.742 4.384 -9.591 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.420 2.997 -8.570 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.118 3.993 -9.613 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.569 2.336 -9.453 1.00 0.98 H new ATOM 610 N ASP A 39 -8.173 5.516 -6.250 1.00 0.96 N ATOM 611 CA ASP A 39 -9.016 6.377 -5.481 1.00 1.11 C ATOM 612 C ASP A 39 -9.791 5.720 -4.390 1.00 1.00 C ATOM 613 O ASP A 39 -10.098 6.258 -3.326 1.00 1.14 O ATOM 614 CB ASP A 39 -9.993 7.102 -6.421 1.00 1.39 C ATOM 615 CG ASP A 39 -9.373 8.121 -7.366 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.437 7.866 -8.171 1.00 2.23 O ATOM 617 OD2 ASP A 39 -9.826 9.289 -7.230 1.00 2.25 O ATOM 0 H ASP A 39 -8.429 5.492 -7.237 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.336 7.065 -4.979 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.516 6.354 -7.017 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.743 7.608 -5.814 1.00 1.39 H new ATOM 622 N GLN A 40 -10.038 4.413 -4.585 1.00 0.87 N ATOM 623 CA GLN A 40 -10.767 3.645 -3.623 1.00 0.84 C ATOM 624 C GLN A 40 -9.823 3.026 -2.651 1.00 0.67 C ATOM 625 O GLN A 40 -10.194 2.734 -1.516 1.00 0.80 O ATOM 626 CB GLN A 40 -11.534 2.498 -4.303 1.00 0.95 C ATOM 627 CG GLN A 40 -12.605 1.831 -3.438 1.00 1.32 C ATOM 628 CD GLN A 40 -13.231 0.681 -4.215 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.916 -0.471 -3.922 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.030 0.997 -5.269 1.00 2.02 N ATOM 0 H GLN A 40 -9.734 3.889 -5.406 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.463 4.319 -3.124 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -12.007 2.883 -5.206 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.818 1.739 -4.617 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.164 1.462 -2.512 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.369 2.557 -3.160 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.257 1.972 -5.463 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.403 0.259 -5.866 1.00 2.02 H new ATOM 639 N GLN A 41 -8.531 2.819 -2.962 1.00 0.56 N ATOM 640 CA GLN A 41 -7.592 2.184 -2.091 1.00 0.51 C ATOM 641 C GLN A 41 -7.092 3.106 -1.032 1.00 0.49 C ATOM 642 O GLN A 41 -6.722 4.258 -1.252 1.00 0.65 O ATOM 643 CB GLN A 41 -6.394 1.617 -2.871 1.00 0.67 C ATOM 644 CG GLN A 41 -6.587 0.471 -3.866 1.00 0.69 C ATOM 645 CD GLN A 41 -5.295 -0.125 -4.407 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.291 -0.345 -3.731 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.228 -0.289 -5.755 1.00 0.61 N ATOM 0 H GLN A 41 -8.125 3.105 -3.853 1.00 0.56 H new ATOM 0 HA GLN A 41 -8.131 1.366 -1.613 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.945 2.446 -3.418 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.660 1.285 -2.137 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.161 -0.319 -3.382 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.184 0.832 -4.704 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.050 -0.111 -6.332 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.356 -0.590 -6.189 1.00 0.61 H new ATOM 656 N ARG A 42 -6.999 2.667 0.236 1.00 0.47 N ATOM 657 CA ARG A 42 -6.291 3.429 1.217 1.00 0.55 C ATOM 658 C ARG A 42 -5.235 2.578 1.833 1.00 0.46 C ATOM 659 O ARG A 42 -5.501 1.567 2.482 1.00 0.52 O ATOM 660 CB ARG A 42 -7.391 3.652 2.270 1.00 0.73 C ATOM 661 CG ARG A 42 -7.055 4.695 3.337 1.00 1.04 C ATOM 662 CD ARG A 42 -8.379 4.945 4.061 1.00 1.28 C ATOM 663 NE ARG A 42 -8.101 5.925 5.148 1.00 1.69 N ATOM 664 CZ ARG A 42 -8.656 5.921 6.395 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.775 5.175 6.629 1.00 2.34 N ATOM 666 NH2 ARG A 42 -7.978 6.513 7.421 1.00 2.78 N ATOM 0 H ARG A 42 -7.407 1.797 0.579 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.819 4.332 0.830 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -8.306 3.955 1.761 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.600 2.703 2.763 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.291 4.329 4.023 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -6.669 5.611 2.889 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.128 5.335 3.372 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.776 4.016 4.471 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.434 6.668 4.941 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.189 4.627 5.875 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.197 5.166 7.558 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -7.072 6.949 7.249 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -8.377 6.520 8.360 1.00 2.78 H new ATOM 680 N LEU A 43 -3.992 3.083 1.741 1.00 0.46 N ATOM 681 CA LEU A 43 -2.840 2.425 2.274 1.00 0.42 C ATOM 682 C LEU A 43 -2.408 3.135 3.510 1.00 0.43 C ATOM 683 O LEU A 43 -2.132 4.332 3.569 1.00 0.55 O ATOM 684 CB LEU A 43 -1.711 2.321 1.235 1.00 0.55 C ATOM 685 CG LEU A 43 -1.782 1.254 0.129 1.00 0.65 C ATOM 686 CD1 LEU A 43 -1.238 1.779 -1.210 1.00 1.17 C ATOM 687 CD2 LEU A 43 -0.942 0.059 0.611 1.00 1.12 C ATOM 0 H LEU A 43 -3.783 3.971 1.285 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.098 1.398 2.532 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.630 3.291 0.745 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.781 2.161 1.781 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.820 0.971 -0.048 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.306 0.994 -1.963 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -1.825 2.640 -1.529 1.00 1.17 H new ATOM 0 HD13 LEU A 43 -0.196 2.075 -1.088 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -0.962 -0.728 -0.143 1.00 1.12 H new ATOM 0 HD22 LEU A 43 0.087 0.380 0.774 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -1.355 -0.323 1.545 1.00 1.12 H new ATOM 699 N ILE A 44 -2.273 2.324 4.575 1.00 0.42 N ATOM 700 CA ILE A 44 -1.927 2.602 5.935 1.00 0.46 C ATOM 701 C ILE A 44 -0.612 1.947 6.188 1.00 0.42 C ATOM 702 O ILE A 44 -0.313 0.823 5.790 1.00 0.53 O ATOM 703 CB ILE A 44 -2.936 2.059 6.903 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.346 2.648 6.735 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.542 2.252 8.377 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.581 4.158 6.727 1.00 1.27 C ATOM 0 H ILE A 44 -2.432 1.323 4.457 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.892 3.681 6.082 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.950 0.998 6.655 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.743 2.260 5.797 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.960 2.235 7.535 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.318 1.835 9.019 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.598 1.742 8.571 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.430 3.316 8.587 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.644 4.360 6.597 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.244 4.584 7.672 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.023 4.609 5.906 1.00 1.27 H new ATOM 718 N PHE A 45 0.266 2.583 6.984 1.00 0.42 N ATOM 719 CA PHE A 45 1.522 2.016 7.365 1.00 0.46 C ATOM 720 C PHE A 45 1.661 2.157 8.841 1.00 0.68 C ATOM 721 O PHE A 45 1.929 3.236 9.371 1.00 1.50 O ATOM 722 CB PHE A 45 2.739 2.723 6.744 1.00 0.56 C ATOM 723 CG PHE A 45 4.039 2.105 7.128 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.275 0.761 6.961 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.007 2.867 7.741 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.450 0.227 7.435 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.113 2.309 8.338 1.00 1.33 C ATOM 728 CZ PHE A 45 6.360 0.971 8.148 1.00 1.02 C ATOM 0 H PHE A 45 0.099 3.512 7.371 1.00 0.42 H new ATOM 0 HA PHE A 45 1.516 0.983 7.016 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.644 2.708 5.658 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.738 3.769 7.050 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.549 0.134 6.465 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.894 3.941 7.754 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.666 -0.813 7.240 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.774 2.911 8.944 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.251 0.513 8.551 1.00 1.02 H new ATOM 738 N ALA A 46 1.396 1.097 9.626 1.00 0.81 N ATOM 739 CA ALA A 46 1.327 1.023 11.052 1.00 0.96 C ATOM 740 C ALA A 46 0.199 1.781 11.665 1.00 0.97 C ATOM 741 O ALA A 46 -0.730 1.256 12.277 1.00 1.21 O ATOM 742 CB ALA A 46 2.768 1.199 11.559 1.00 1.20 C ATOM 0 H ALA A 46 1.209 0.186 9.207 1.00 0.81 H new ATOM 0 HA ALA A 46 0.998 0.052 11.421 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.779 1.151 12.648 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.396 0.405 11.155 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.152 2.166 11.234 1.00 1.20 H new ATOM 748 N GLY A 47 0.201 3.110 11.458 1.00 0.99 N ATOM 749 CA GLY A 47 -0.759 3.994 12.041 1.00 1.10 C ATOM 750 C GLY A 47 -0.867 5.165 11.127 1.00 1.03 C ATOM 751 O GLY A 47 -1.901 5.833 11.094 1.00 1.30 O ATOM 0 H GLY A 47 0.888 3.582 10.870 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.724 3.499 12.153 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.444 4.307 13.036 1.00 1.10 H new ATOM 755 N LYS A 48 0.147 5.489 10.306 1.00 0.98 N ATOM 756 CA LYS A 48 -0.001 6.581 9.395 1.00 1.05 C ATOM 757 C LYS A 48 -0.556 6.105 8.096 1.00 0.84 C ATOM 758 O LYS A 48 -0.401 4.973 7.644 1.00 0.81 O ATOM 759 CB LYS A 48 1.271 7.375 9.052 1.00 1.42 C ATOM 760 CG LYS A 48 2.291 6.519 8.298 1.00 1.61 C ATOM 761 CD LYS A 48 3.714 7.077 8.370 1.00 1.87 C ATOM 762 CE LYS A 48 4.218 6.860 9.797 1.00 2.22 C ATOM 763 NZ LYS A 48 5.638 7.271 9.866 1.00 2.55 N ATOM 0 H LYS A 48 1.047 5.010 10.271 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.664 7.254 9.938 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.006 8.242 8.447 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.722 7.753 9.970 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.282 5.509 8.708 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.990 6.442 7.253 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.361 6.572 7.653 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.724 8.137 8.116 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.622 7.441 10.501 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.114 5.812 10.079 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.994 7.128 10.833 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 6.198 6.698 9.203 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.721 8.276 9.611 1.00 2.55 H new ATOM 777 N GLN A 49 -1.226 7.087 7.465 1.00 0.84 N ATOM 778 CA GLN A 49 -1.875 7.001 6.194 1.00 0.80 C ATOM 779 C GLN A 49 -0.851 7.584 5.281 1.00 0.72 C ATOM 780 O GLN A 49 -0.265 8.621 5.588 1.00 0.83 O ATOM 781 CB GLN A 49 -3.116 7.906 6.272 1.00 1.03 C ATOM 782 CG GLN A 49 -3.973 7.854 5.007 1.00 1.67 C ATOM 783 CD GLN A 49 -5.310 8.559 5.187 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.385 8.029 4.915 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.284 9.834 5.659 1.00 2.48 N ATOM 0 H GLN A 49 -1.320 8.015 7.879 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.194 6.007 5.881 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.722 7.609 7.128 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -2.799 8.934 6.448 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.429 8.316 4.183 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.147 6.814 4.731 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.393 10.276 5.885 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.155 10.348 5.787 1.00 2.48 H new ATOM 794 N LEU A 50 -0.707 6.989 4.084 1.00 0.69 N ATOM 795 CA LEU A 50 0.347 7.378 3.198 1.00 0.66 C ATOM 796 C LEU A 50 -0.206 7.957 1.941 1.00 0.72 C ATOM 797 O LEU A 50 -1.059 7.282 1.367 1.00 0.90 O ATOM 798 CB LEU A 50 1.166 6.168 2.717 1.00 0.65 C ATOM 799 CG LEU A 50 1.807 5.191 3.717 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.366 3.955 2.992 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.913 5.818 4.583 1.00 0.74 C ATOM 0 H LEU A 50 -1.312 6.247 3.732 1.00 0.69 H new ATOM 0 HA LEU A 50 0.954 8.085 3.764 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.515 5.580 2.070 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.970 6.556 2.092 1.00 0.65 H new ATOM 0 HG LEU A 50 1.002 4.902 4.393 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.814 3.278 3.719 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.558 3.443 2.470 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.123 4.267 2.272 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.314 5.065 5.262 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.711 6.190 3.941 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.498 6.644 5.161 1.00 0.74 H new ATOM 813 N GLU A 51 0.198 9.163 1.506 1.00 0.70 N ATOM 814 CA GLU A 51 -0.295 9.788 0.318 1.00 0.76 C ATOM 815 C GLU A 51 0.313 9.415 -0.990 1.00 0.77 C ATOM 816 O GLU A 51 1.420 8.894 -1.120 1.00 1.23 O ATOM 817 CB GLU A 51 -0.227 11.318 0.462 1.00 0.88 C ATOM 818 CG GLU A 51 -1.332 11.819 1.392 1.00 1.35 C ATOM 819 CD GLU A 51 -1.447 13.323 1.593 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.401 13.911 1.977 1.00 1.89 O ATOM 821 OE2 GLU A 51 -2.534 13.950 1.474 1.00 1.94 O ATOM 0 H GLU A 51 0.893 9.724 1.999 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.311 9.397 0.259 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.747 11.609 0.855 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.328 11.786 -0.517 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -2.286 11.456 1.009 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -1.185 11.358 2.369 1.00 1.35 H new ATOM 828 N ASP A 52 -0.434 9.623 -2.089 1.00 0.66 N ATOM 829 CA ASP A 52 -0.185 9.119 -3.404 1.00 0.65 C ATOM 830 C ASP A 52 1.065 9.445 -4.147 1.00 0.60 C ATOM 831 O ASP A 52 1.892 8.606 -4.497 1.00 0.62 O ATOM 832 CB ASP A 52 -1.351 9.564 -4.304 1.00 0.81 C ATOM 833 CG ASP A 52 -2.596 8.893 -3.742 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.260 9.477 -2.843 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.868 7.773 -4.250 1.00 1.44 O ATOM 0 H ASP A 52 -1.281 10.190 -2.053 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.070 8.054 -3.201 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.456 10.649 -4.298 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.181 9.266 -5.339 1.00 0.81 H new ATOM 840 N GLY A 53 1.197 10.754 -4.430 1.00 0.68 N ATOM 841 CA GLY A 53 2.397 11.296 -4.987 1.00 0.73 C ATOM 842 C GLY A 53 3.514 11.583 -4.044 1.00 0.72 C ATOM 843 O GLY A 53 4.445 12.332 -4.340 1.00 0.97 O ATOM 0 H GLY A 53 0.463 11.444 -4.270 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.763 10.601 -5.743 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.143 12.222 -5.502 1.00 0.73 H new ATOM 847 N ARG A 54 3.663 10.808 -2.955 1.00 0.64 N ATOM 848 CA ARG A 54 4.853 10.653 -2.177 1.00 0.63 C ATOM 849 C ARG A 54 5.552 9.408 -2.601 1.00 0.59 C ATOM 850 O ARG A 54 4.961 8.537 -3.238 1.00 0.62 O ATOM 851 CB ARG A 54 4.390 10.458 -0.722 1.00 0.69 C ATOM 852 CG ARG A 54 3.544 11.583 -0.125 1.00 0.82 C ATOM 853 CD ARG A 54 4.329 12.894 -0.191 1.00 1.18 C ATOM 854 NE ARG A 54 3.324 13.912 0.224 1.00 1.50 N ATOM 855 CZ ARG A 54 3.648 15.238 0.209 1.00 2.00 C ATOM 856 NH1 ARG A 54 4.950 15.641 0.137 1.00 2.49 N ATOM 857 NH2 ARG A 54 2.651 16.170 0.186 1.00 2.48 N ATOM 0 H ARG A 54 2.892 10.248 -2.592 1.00 0.64 H new ATOM 0 HA ARG A 54 5.518 11.509 -2.294 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.817 9.532 -0.666 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.273 10.325 -0.097 1.00 0.69 H new ATOM 0 HG2 ARG A 54 2.607 11.679 -0.673 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.287 11.351 0.909 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.190 12.882 0.477 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.707 13.087 -1.195 1.00 1.18 H new ATOM 0 HE ARG A 54 2.393 13.618 0.520 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.697 14.948 0.093 1.00 2.49 H new ATOM 0 HH12 ARG A 54 5.176 16.636 0.127 1.00 2.49 H new ATOM 0 HH21 ARG A 54 1.675 15.873 0.180 1.00 2.48 H new ATOM 0 HH22 ARG A 54 2.882 17.163 0.175 1.00 2.48 H new ATOM 871 N THR A 55 6.832 9.228 -2.229 1.00 0.63 N ATOM 872 CA THR A 55 7.635 8.057 -2.400 1.00 0.61 C ATOM 873 C THR A 55 7.599 7.233 -1.159 1.00 0.59 C ATOM 874 O THR A 55 7.045 7.630 -0.134 1.00 0.64 O ATOM 875 CB THR A 55 8.941 8.212 -3.122 1.00 0.68 C ATOM 876 OG1 THR A 55 9.969 8.800 -2.338 1.00 0.75 O ATOM 877 CG2 THR A 55 8.879 8.910 -4.491 1.00 0.76 C ATOM 0 H THR A 55 7.351 9.973 -1.765 1.00 0.63 H new ATOM 0 HA THR A 55 7.167 7.450 -3.175 1.00 0.61 H new ATOM 0 HB THR A 55 9.196 7.170 -3.317 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.788 9.757 -2.226 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.881 8.965 -4.917 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.231 8.343 -5.159 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.481 9.917 -4.368 1.00 0.76 H new ATOM 885 N LEU A 56 8.197 6.032 -1.257 1.00 0.58 N ATOM 886 CA LEU A 56 8.430 5.177 -0.135 1.00 0.59 C ATOM 887 C LEU A 56 9.580 5.695 0.658 1.00 0.64 C ATOM 888 O LEU A 56 9.590 5.567 1.881 1.00 0.70 O ATOM 889 CB LEU A 56 8.803 3.773 -0.639 1.00 0.60 C ATOM 890 CG LEU A 56 7.612 2.819 -0.831 1.00 0.63 C ATOM 891 CD1 LEU A 56 6.934 3.181 -2.164 1.00 1.05 C ATOM 892 CD2 LEU A 56 7.985 1.328 -0.785 1.00 1.03 C ATOM 0 H LEU A 56 8.527 5.645 -2.141 1.00 0.58 H new ATOM 0 HA LEU A 56 7.530 5.143 0.479 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.329 3.871 -1.589 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.501 3.323 0.067 1.00 0.60 H new ATOM 0 HG LEU A 56 6.931 2.954 0.010 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.083 2.521 -2.330 1.00 1.05 H new ATOM 0 HD12 LEU A 56 6.590 4.215 -2.128 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.648 3.064 -2.979 1.00 1.05 H new ATOM 0 HD21 LEU A 56 7.089 0.724 -0.929 1.00 1.03 H new ATOM 0 HD22 LEU A 56 8.702 1.108 -1.576 1.00 1.03 H new ATOM 0 HD23 LEU A 56 8.429 1.094 0.182 1.00 1.03 H new ATOM 904 N SER A 57 10.615 6.220 -0.023 1.00 0.68 N ATOM 905 CA SER A 57 11.768 6.851 0.544 1.00 0.75 C ATOM 906 C SER A 57 11.517 7.891 1.579 1.00 0.76 C ATOM 907 O SER A 57 12.092 7.896 2.666 1.00 0.84 O ATOM 908 CB SER A 57 12.675 7.302 -0.614 1.00 0.84 C ATOM 909 OG SER A 57 14.005 7.660 -0.272 1.00 1.19 O ATOM 0 H SER A 57 10.648 6.202 -1.042 1.00 0.68 H new ATOM 0 HA SER A 57 12.285 6.110 1.154 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.716 6.498 -1.349 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.206 8.156 -1.102 1.00 0.84 H new ATOM 0 HG SER A 57 14.490 7.927 -1.081 1.00 1.19 H new ATOM 915 N ASP A 58 10.610 8.796 1.167 1.00 0.75 N ATOM 916 CA ASP A 58 10.054 9.892 1.899 1.00 0.78 C ATOM 917 C ASP A 58 9.392 9.531 3.184 1.00 0.77 C ATOM 918 O ASP A 58 9.432 10.303 4.141 1.00 0.86 O ATOM 919 CB ASP A 58 9.011 10.612 1.030 1.00 0.83 C ATOM 920 CG ASP A 58 9.711 11.190 -0.193 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.775 11.858 -0.107 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.139 11.064 -1.308 1.00 1.86 O ATOM 0 H ASP A 58 10.229 8.752 0.222 1.00 0.75 H new ATOM 0 HA ASP A 58 10.909 10.520 2.149 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.229 9.917 0.725 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.528 11.406 1.599 1.00 0.83 H new ATOM 927 N TYR A 59 8.727 8.364 3.241 1.00 0.72 N ATOM 928 CA TYR A 59 8.061 7.835 4.391 1.00 0.73 C ATOM 929 C TYR A 59 8.870 6.808 5.107 1.00 0.76 C ATOM 930 O TYR A 59 8.398 6.096 5.991 1.00 0.89 O ATOM 931 CB TYR A 59 6.695 7.219 4.049 1.00 0.73 C ATOM 932 CG TYR A 59 5.571 8.187 3.911 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.868 8.686 4.981 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.984 8.471 2.700 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.710 9.425 4.922 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.812 9.177 2.565 1.00 0.70 C ATOM 937 CZ TYR A 59 3.228 9.742 3.674 1.00 0.74 C ATOM 938 OH TYR A 59 2.039 10.488 3.529 1.00 0.86 O ATOM 0 H TYR A 59 8.650 7.750 2.430 1.00 0.72 H new ATOM 0 HA TYR A 59 7.918 8.696 5.044 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.790 6.664 3.116 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.437 6.498 4.824 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.264 8.477 5.964 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.472 8.119 1.803 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.200 9.743 5.819 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.353 9.287 1.594 1.00 0.70 H new ATOM 0 HH TYR A 59 2.194 11.234 2.913 1.00 0.86 H new ATOM 948 N ASN A 60 10.127 6.648 4.654 1.00 0.74 N ATOM 949 CA ASN A 60 11.098 5.720 5.144 1.00 0.79 C ATOM 950 C ASN A 60 10.684 4.289 5.197 1.00 0.75 C ATOM 951 O ASN A 60 11.000 3.619 6.179 1.00 0.86 O ATOM 952 CB ASN A 60 11.674 6.294 6.450 1.00 0.95 C ATOM 953 CG ASN A 60 11.943 7.791 6.379 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.183 8.572 6.950 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.115 8.232 5.852 1.00 1.83 N ATOM 0 H ASN A 60 10.490 7.212 3.886 1.00 0.74 H new ATOM 0 HA ASN A 60 11.894 5.635 4.404 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.978 6.095 7.265 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.602 5.775 6.689 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.370 9.217 5.928 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.740 7.578 5.380 1.00 1.83 H new ATOM 962 N ILE A 61 9.917 3.777 4.219 1.00 0.67 N ATOM 963 CA ILE A 61 9.338 2.470 4.183 1.00 0.65 C ATOM 964 C ILE A 61 10.380 1.521 3.697 1.00 0.66 C ATOM 965 O ILE A 61 10.818 1.634 2.554 1.00 0.75 O ATOM 966 CB ILE A 61 8.118 2.354 3.318 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.175 3.562 3.449 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.474 0.974 3.524 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.387 3.595 4.758 1.00 0.82 C ATOM 0 H ILE A 61 9.684 4.321 3.388 1.00 0.67 H new ATOM 0 HA ILE A 61 9.003 2.239 5.194 1.00 0.65 H new ATOM 0 HB ILE A 61 8.407 2.401 2.268 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.760 4.478 3.366 1.00 0.70 H new ATOM 0 HG13 ILE A 61 6.474 3.555 2.615 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.587 0.889 2.896 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.187 0.196 3.253 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.190 0.857 4.570 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.745 4.476 4.774 1.00 0.82 H new ATOM 0 HD12 ILE A 61 5.773 2.698 4.836 1.00 0.82 H new ATOM 0 HD13 ILE A 61 7.080 3.635 5.599 1.00 0.82 H new ATOM 981 N GLN A 62 10.870 0.547 4.485 1.00 0.67 N ATOM 982 CA GLN A 62 11.962 -0.277 4.068 1.00 0.70 C ATOM 983 C GLN A 62 11.478 -1.624 3.653 1.00 0.62 C ATOM 984 O GLN A 62 10.270 -1.825 3.542 1.00 0.64 O ATOM 985 CB GLN A 62 13.057 -0.578 5.105 1.00 0.85 C ATOM 986 CG GLN A 62 13.418 0.750 5.774 1.00 1.27 C ATOM 987 CD GLN A 62 14.584 0.489 6.716 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.695 0.230 6.259 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.509 0.665 8.063 1.00 2.16 N ATOM 0 H GLN A 62 10.509 0.330 5.414 1.00 0.67 H new ATOM 0 HA GLN A 62 12.397 0.328 3.273 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.702 -1.297 5.843 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.931 -1.018 4.626 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.690 1.494 5.025 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.564 1.147 6.323 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.613 0.882 8.500 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.349 0.580 8.636 1.00 2.16 H new ATOM 998 N LYS A 63 12.355 -2.572 3.278 1.00 0.64 N ATOM 999 CA LYS A 63 12.058 -3.908 2.866 1.00 0.62 C ATOM 1000 C LYS A 63 11.321 -4.688 3.900 1.00 0.59 C ATOM 1001 O LYS A 63 11.457 -4.315 5.064 1.00 0.66 O ATOM 1002 CB LYS A 63 13.260 -4.750 2.407 1.00 0.74 C ATOM 1003 CG LYS A 63 14.189 -5.324 3.479 1.00 0.89 C ATOM 1004 CD LYS A 63 14.948 -6.494 2.851 1.00 1.11 C ATOM 1005 CE LYS A 63 16.026 -6.981 3.822 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.263 -7.674 4.884 1.00 2.12 N ATOM 0 H LYS A 63 13.358 -2.385 3.263 1.00 0.64 H new ATOM 0 HA LYS A 63 11.427 -3.734 1.994 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.878 -5.583 1.816 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.862 -4.135 1.738 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.884 -4.562 3.832 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.616 -5.659 4.344 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.259 -7.306 2.619 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.404 -6.183 1.911 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.730 -7.654 3.332 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.606 -6.150 4.224 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 15.844 -8.437 5.287 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.015 -6.996 5.632 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.394 -8.078 4.480 1.00 2.12 H new ATOM 1020 N GLU A 64 10.439 -5.576 3.406 1.00 0.57 N ATOM 1021 CA GLU A 64 9.704 -6.548 4.153 1.00 0.58 C ATOM 1022 C GLU A 64 8.720 -6.062 5.161 1.00 0.56 C ATOM 1023 O GLU A 64 8.316 -6.754 6.093 1.00 0.70 O ATOM 1024 CB GLU A 64 10.581 -7.677 4.719 1.00 0.72 C ATOM 1025 CG GLU A 64 11.320 -8.369 3.571 1.00 0.96 C ATOM 1026 CD GLU A 64 12.390 -9.370 3.983 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.994 -9.045 5.041 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.611 -10.398 3.290 1.00 1.69 O ATOM 0 H GLU A 64 10.225 -5.616 2.409 1.00 0.57 H new ATOM 0 HA GLU A 64 9.067 -6.957 3.369 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.296 -7.273 5.436 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.964 -8.397 5.256 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.587 -8.884 2.950 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.785 -7.604 2.949 1.00 0.96 H new ATOM 1035 N SER A 65 8.290 -4.793 5.037 1.00 0.51 N ATOM 1036 CA SER A 65 7.534 -4.070 6.013 1.00 0.51 C ATOM 1037 C SER A 65 6.103 -4.364 5.721 1.00 0.43 C ATOM 1038 O SER A 65 5.667 -4.543 4.584 1.00 0.50 O ATOM 1039 CB SER A 65 7.653 -2.546 5.842 1.00 0.65 C ATOM 1040 OG SER A 65 9.021 -2.210 6.021 1.00 1.04 O ATOM 0 H SER A 65 8.483 -4.238 4.203 1.00 0.51 H new ATOM 0 HA SER A 65 7.889 -4.358 7.003 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.308 -2.241 4.854 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.031 -2.027 6.571 1.00 0.65 H new ATOM 0 HG SER A 65 9.443 -2.081 5.146 1.00 1.04 H new ATOM 1046 N THR A 66 5.263 -4.322 6.770 1.00 0.45 N ATOM 1047 CA THR A 66 3.855 -4.575 6.763 1.00 0.45 C ATOM 1048 C THR A 66 3.163 -3.280 6.512 1.00 0.43 C ATOM 1049 O THR A 66 3.049 -2.390 7.354 1.00 0.58 O ATOM 1050 CB THR A 66 3.341 -5.319 7.961 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.124 -6.503 8.014 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.861 -5.722 7.851 1.00 0.78 C ATOM 0 H THR A 66 5.600 -4.091 7.704 1.00 0.45 H new ATOM 0 HA THR A 66 3.630 -5.274 5.957 1.00 0.45 H new ATOM 0 HB THR A 66 3.414 -4.683 8.843 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.845 -7.046 8.781 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.561 -6.255 8.753 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.248 -4.828 7.737 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.723 -6.369 6.984 1.00 0.78 H new ATOM 1060 N LEU A 67 2.553 -3.143 5.322 1.00 0.38 N ATOM 1061 CA LEU A 67 1.731 -2.053 4.896 1.00 0.38 C ATOM 1062 C LEU A 67 0.359 -2.618 5.039 1.00 0.37 C ATOM 1063 O LEU A 67 0.098 -3.820 5.054 1.00 0.50 O ATOM 1064 CB LEU A 67 1.921 -1.530 3.463 1.00 0.46 C ATOM 1065 CG LEU A 67 3.131 -0.619 3.202 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.459 -1.396 3.219 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.844 0.039 1.841 1.00 1.31 C ATOM 0 H LEU A 67 2.643 -3.856 4.598 1.00 0.38 H new ATOM 0 HA LEU A 67 1.975 -1.171 5.489 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.996 -2.390 2.797 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.021 -0.985 3.180 1.00 0.46 H new ATOM 0 HG LEU A 67 3.254 0.128 3.986 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.284 -0.710 3.030 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.593 -1.865 4.193 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.441 -2.164 2.446 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.664 0.708 1.580 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.748 -0.732 1.077 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.916 0.608 1.900 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.684 -1.787 5.207 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.030 -2.221 5.420 1.00 0.37 C ATOM 1081 C HIS A 68 -3.048 -1.602 4.527 1.00 0.35 C ATOM 1082 O HIS A 68 -3.119 -0.374 4.494 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.536 -2.006 6.857 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.691 -2.663 7.907 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -2.008 -3.939 8.325 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -0.719 -2.228 8.753 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -1.196 -4.186 9.387 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.340 -3.214 9.640 1.00 1.51 N ATOM 0 H HIS A 68 -0.586 -0.772 5.194 1.00 0.35 H new ATOM 0 HA HIS A 68 -1.942 -3.283 5.191 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.581 -0.936 7.059 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.554 -2.388 6.933 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -0.296 -1.234 8.733 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -1.247 -5.094 9.970 1.00 1.41 H new ATOM 0 HE2 HIS A 68 0.417 -3.196 10.324 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.874 -2.436 3.869 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.804 -1.933 2.907 1.00 0.38 C ATOM 1098 C LEU A 69 -6.211 -1.993 3.396 1.00 0.41 C ATOM 1099 O LEU A 69 -6.701 -3.035 3.830 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.505 -2.589 1.548 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.518 -2.343 0.417 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.441 -0.925 -0.175 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.189 -3.413 -0.638 1.00 1.14 C ATOM 0 H LEU A 69 -3.898 -3.447 4.001 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.675 -0.862 2.753 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.529 -2.240 1.211 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.423 -3.665 1.702 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.540 -2.416 0.789 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.182 -0.821 -0.967 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.640 -0.193 0.607 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.445 -0.756 -0.585 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.868 -3.310 -1.485 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.162 -3.284 -0.979 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.304 -4.404 -0.199 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.898 -0.837 3.396 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.288 -0.583 3.617 1.00 0.56 C ATOM 1117 C VAL A 70 -8.867 0.025 2.386 1.00 0.55 C ATOM 1118 O VAL A 70 -8.223 0.231 1.358 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.728 -0.011 4.932 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -8.554 -1.083 6.020 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -8.142 1.353 5.332 1.00 0.97 C ATOM 0 H VAL A 70 -6.405 0.038 3.215 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.749 -1.557 3.783 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.780 0.245 4.810 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.871 -0.680 6.982 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.162 -1.954 5.774 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -7.506 -1.377 6.077 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -8.542 1.650 6.302 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.056 1.278 5.394 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -8.412 2.098 4.584 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.167 0.368 2.356 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.889 0.975 1.281 1.00 0.84 C ATOM 1133 C LEU A 71 -11.701 2.148 1.711 1.00 0.85 C ATOM 1134 O LEU A 71 -11.995 2.213 2.903 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.881 -0.036 0.682 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.100 -1.174 0.001 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.054 -2.221 -0.600 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.218 -0.643 -1.142 1.00 2.78 C ATOM 0 H LEU A 71 -10.768 0.204 3.163 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.134 1.299 0.564 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.524 -0.439 1.464 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.530 0.459 -0.041 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.480 -1.626 0.775 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.474 -3.012 -1.074 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.671 -2.648 0.191 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.694 -1.746 -1.343 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.680 -1.472 -1.602 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.845 -0.158 -1.890 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.503 0.078 -0.745 1.00 2.78 H new