USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 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= 0.621 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0582 USER MOD Single : A 1 MET CE :methyl -118:sc= -0.11 (180deg=-0.322) USER MOD Single : A 1 MET N :NH3+ 164:sc= 2.05 (180deg=1.7) USER MOD Single : A 2 GLN : amide:sc=-0.00589 K(o=-0.0059,f=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -131:sc= 1.24 (180deg=-0.352!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc=6.24e-05 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 25 ASN : amide:sc= -1.04 K(o=-1,f=-4.4!) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 2.3 (180deg=2.02) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= 1.29 (180deg=0.37) USER MOD Single : A 31 GLN : amide:sc= -0.971 X(o=-0.97,f=-0.98) USER MOD Single : A 33 LYS NZ :NH3+ 157:sc= -0.218 (180deg=-1.12!) USER MOD Single : A 40 GLN : amide:sc= -1 K(o=-1,f=-0.0068) USER MOD Single : A 41 GLN : amide:sc= 0.448 K(o=0.45,f=-0.91) USER MOD Single : A 48 LYS NZ :NH3+ -147:sc= -0.0611 (180deg=-0.332) USER MOD Single : A 49 GLN : amide:sc= -0.235 K(o=-0.24,f=-1.4!) USER MOD Single : A 55 THR OG1 : rot -55:sc= 1.28 USER MOD Single : A 57 SER OG : rot 63:sc= 0.74 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.509 USER MOD Single : A 60 ASN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00583 X(o=-0.0058,f=-0.4) USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= 1.22 (180deg=0.889) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.712 3.281 -4.299 1.00 9.67 N ATOM 2 CA MET A 1 -12.497 3.282 -2.835 1.00 10.38 C ATOM 3 C MET A 1 -11.162 3.876 -2.545 1.00 9.62 C ATOM 4 O MET A 1 -10.110 3.296 -2.812 1.00 9.62 O ATOM 5 CB MET A 1 -12.567 1.893 -2.178 1.00 13.77 C ATOM 6 CG MET A 1 -12.153 1.844 -0.706 1.00 16.29 C ATOM 7 SD MET A 1 -12.272 0.201 0.062 1.00 17.17 S ATOM 8 CE MET A 1 -10.723 -0.395 -0.674 1.00 16.11 C ATOM 0 H1 MET A 1 -13.495 2.639 -4.534 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.946 4.243 -4.616 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.846 2.960 -4.777 1.00 9.67 H new ATOM 0 HA MET A 1 -13.313 3.866 -2.410 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.587 1.520 -2.264 1.00 13.77 H new ATOM 0 HB3 MET A 1 -11.930 1.211 -2.740 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.125 2.197 -0.620 1.00 16.29 H new ATOM 0 HG3 MET A 1 -12.777 2.539 -0.144 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.932 -1.244 -1.325 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.266 0.405 -1.257 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.040 -0.704 0.117 1.00 16.11 H new ATOM 20 N GLN A 2 -11.144 4.995 -1.798 1.00 9.27 N ATOM 21 CA GLN A 2 -9.949 5.679 -1.411 1.00 9.07 C ATOM 22 C GLN A 2 -9.393 4.999 -0.208 1.00 8.72 C ATOM 23 O GLN A 2 -10.084 4.673 0.756 1.00 8.22 O ATOM 24 CB GLN A 2 -10.218 7.156 -1.077 1.00 14.46 C ATOM 25 CG GLN A 2 -10.348 8.004 -2.345 1.00 17.01 C ATOM 26 CD GLN A 2 -10.534 9.455 -1.923 1.00 20.10 C ATOM 27 OE1 GLN A 2 -11.136 9.717 -0.883 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.153 10.377 -2.847 1.00 19.49 N ATOM 0 H GLN A 2 -11.994 5.440 -1.451 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.246 5.651 -2.243 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.132 7.236 -0.489 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.407 7.544 -0.460 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.459 7.899 -2.967 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.196 7.669 -2.942 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -9.656 10.082 -3.687 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -10.365 11.364 -2.700 1.00 19.49 H new ATOM 37 N ILE A 3 -8.064 4.795 -0.221 1.00 5.87 N ATOM 38 CA ILE A 3 -7.282 4.440 0.922 1.00 5.07 C ATOM 39 C ILE A 3 -6.136 5.384 1.047 1.00 4.01 C ATOM 40 O ILE A 3 -5.813 6.138 0.130 1.00 4.61 O ATOM 41 CB ILE A 3 -6.792 3.031 0.768 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.001 2.890 -0.544 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.073 2.181 0.819 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.523 1.442 -0.647 1.00 10.83 C ATOM 0 H ILE A 3 -7.507 4.882 -1.071 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.888 4.504 1.826 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.095 2.712 1.543 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.628 3.147 -1.398 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.153 3.574 -0.554 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.815 1.127 0.714 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.576 2.338 1.773 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.737 2.475 0.006 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.957 1.310 -1.569 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.886 1.208 0.206 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.384 0.774 -0.651 1.00 10.83 H new ATOM 56 N PHE A 4 -5.515 5.314 2.238 1.00 4.55 N ATOM 57 CA PHE A 4 -4.566 6.250 2.756 1.00 4.68 C ATOM 58 C PHE A 4 -3.362 5.445 3.109 1.00 5.30 C ATOM 59 O PHE A 4 -3.352 4.706 4.093 1.00 5.58 O ATOM 60 CB PHE A 4 -4.961 7.140 3.945 1.00 4.83 C ATOM 61 CG PHE A 4 -6.096 8.046 3.613 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.012 8.916 2.551 1.00 8.34 C ATOM 63 CD2 PHE A 4 -7.248 8.001 4.363 1.00 6.69 C ATOM 64 CE1 PHE A 4 -7.001 9.824 2.256 1.00 10.61 C ATOM 65 CE2 PHE A 4 -8.238 8.910 4.072 1.00 9.10 C ATOM 66 CZ PHE A 4 -8.119 9.830 3.056 1.00 8.90 C ATOM 0 H PHE A 4 -5.690 4.546 2.886 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.429 6.995 1.972 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.235 6.512 4.792 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.101 7.735 4.254 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.134 8.884 1.924 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -7.371 7.276 5.154 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -6.903 10.508 1.426 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -9.142 8.901 4.663 1.00 9.10 H new ATOM 0 HZ PHE A 4 -8.902 10.555 2.887 1.00 8.90 H new ATOM 76 N VAL A 5 -2.304 5.511 2.282 1.00 4.44 N ATOM 77 CA VAL A 5 -1.061 4.832 2.476 1.00 3.87 C ATOM 78 C VAL A 5 -0.167 5.820 3.144 1.00 4.93 C ATOM 79 O VAL A 5 0.325 6.749 2.506 1.00 6.84 O ATOM 80 CB VAL A 5 -0.613 4.244 1.171 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.833 3.737 1.297 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.649 3.194 0.737 1.00 9.13 C ATOM 0 H VAL A 5 -2.317 6.070 1.429 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.095 3.959 3.128 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.575 4.984 0.372 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.153 3.311 0.346 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.488 4.567 1.562 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.884 2.973 2.073 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.344 2.752 -0.211 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.717 2.414 1.496 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.622 3.670 0.619 1.00 9.13 H new ATOM 92 N LYS A 6 0.056 5.630 4.456 1.00 6.04 N ATOM 93 CA LYS A 6 0.797 6.575 5.233 1.00 6.12 C ATOM 94 C LYS A 6 2.129 6.012 5.591 1.00 6.57 C ATOM 95 O LYS A 6 2.236 4.923 6.151 1.00 5.76 O ATOM 96 CB LYS A 6 0.102 6.788 6.588 1.00 7.45 C ATOM 97 CG LYS A 6 0.902 7.805 7.405 1.00 11.12 C ATOM 98 CD LYS A 6 0.016 8.471 8.460 1.00 14.54 C ATOM 99 CE LYS A 6 -0.961 9.548 7.984 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.066 9.676 8.961 1.00 20.55 N ATOM 0 H LYS A 6 -0.277 4.821 4.980 1.00 6.04 H new ATOM 0 HA LYS A 6 0.874 7.490 4.645 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.917 7.145 6.436 1.00 7.45 H new ATOM 0 HB3 LYS A 6 0.032 5.844 7.128 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.742 7.308 7.890 1.00 11.12 H new ATOM 0 HG3 LYS A 6 1.319 8.563 6.742 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.560 7.690 8.957 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.666 8.916 9.213 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.444 10.502 7.876 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.357 9.287 7.003 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.731 10.408 8.639 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.564 8.767 9.043 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.680 9.943 9.889 1.00 20.55 H new ATOM 114 N THR A 7 3.187 6.774 5.260 1.00 7.41 N ATOM 115 CA THR A 7 4.538 6.354 5.469 1.00 7.48 C ATOM 116 C THR A 7 5.056 6.526 6.855 1.00 8.75 C ATOM 117 O THR A 7 4.345 6.948 7.766 1.00 8.58 O ATOM 118 CB THR A 7 5.497 7.081 4.574 1.00 9.61 C ATOM 119 OG1 THR A 7 5.533 8.493 4.723 1.00 11.78 O ATOM 120 CG2 THR A 7 5.138 6.757 3.114 1.00 9.17 C ATOM 0 H THR A 7 3.103 7.699 4.839 1.00 7.41 H new ATOM 0 HA THR A 7 4.487 5.288 5.245 1.00 7.48 H new ATOM 0 HB THR A 7 6.488 6.732 4.864 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.187 8.871 4.099 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.825 7.277 2.446 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.216 5.682 2.950 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.118 7.082 2.910 1.00 9.17 H new ATOM 128 N LEU A 8 6.312 6.187 7.196 1.00 9.84 N ATOM 129 CA LEU A 8 6.853 6.235 8.519 1.00 14.15 C ATOM 130 C LEU A 8 6.992 7.632 9.016 1.00 17.37 C ATOM 131 O LEU A 8 6.636 7.971 10.144 1.00 17.01 O ATOM 132 CB LEU A 8 8.156 5.457 8.770 1.00 16.63 C ATOM 133 CG LEU A 8 8.787 5.520 10.170 1.00 18.88 C ATOM 134 CD1 LEU A 8 7.935 4.866 11.271 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.138 4.786 10.213 1.00 19.31 C ATOM 0 H LEU A 8 6.989 5.860 6.507 1.00 9.84 H new ATOM 0 HA LEU A 8 6.098 5.699 9.094 1.00 14.15 H new ATOM 0 HB2 LEU A 8 7.967 4.409 8.538 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.898 5.813 8.055 1.00 16.63 H new ATOM 0 HG LEU A 8 8.885 6.589 10.359 1.00 18.88 H new ATOM 0 HD11 LEU A 8 8.449 4.952 12.228 1.00 18.59 H new ATOM 0 HD12 LEU A 8 6.970 5.369 11.331 1.00 18.59 H new ATOM 0 HD13 LEU A 8 7.782 3.813 11.035 1.00 18.59 H new ATOM 0 HD21 LEU A 8 10.555 4.851 11.218 1.00 19.31 H new ATOM 0 HD22 LEU A 8 9.992 3.739 9.948 1.00 19.31 H new ATOM 0 HD23 LEU A 8 10.825 5.247 9.504 1.00 19.31 H new ATOM 147 N THR A 9 7.492 8.476 8.096 1.00 18.33 N ATOM 148 CA THR A 9 7.751 9.865 8.320 1.00 19.24 C ATOM 149 C THR A 9 6.496 10.634 8.089 1.00 19.48 C ATOM 150 O THR A 9 6.287 11.684 8.696 1.00 23.14 O ATOM 151 CB THR A 9 8.860 10.293 7.406 1.00 18.97 C ATOM 152 OG1 THR A 9 8.636 9.841 6.078 1.00 20.24 O ATOM 153 CG2 THR A 9 10.191 9.724 7.927 1.00 19.70 C ATOM 0 H THR A 9 7.727 8.175 7.150 1.00 18.33 H new ATOM 0 HA THR A 9 8.067 10.054 9.346 1.00 19.24 H new ATOM 0 HB THR A 9 8.896 11.382 7.391 1.00 18.97 H new ATOM 0 HG1 THR A 9 9.373 10.136 5.503 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.002 10.032 7.267 1.00 19.70 H new ATOM 0 HG22 THR A 9 10.379 10.101 8.932 1.00 19.70 H new ATOM 0 HG23 THR A 9 10.137 8.636 7.952 1.00 19.70 H new ATOM 161 N GLY A 10 5.512 10.104 7.341 1.00 19.43 N ATOM 162 CA GLY A 10 4.199 10.668 7.321 1.00 18.74 C ATOM 163 C GLY A 10 3.878 11.532 6.150 1.00 17.62 C ATOM 164 O GLY A 10 3.711 12.750 6.198 1.00 19.74 O ATOM 0 H GLY A 10 5.627 9.282 6.748 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.475 9.854 7.357 1.00 18.74 H new ATOM 0 HA3 GLY A 10 4.063 11.255 8.229 1.00 18.74 H new ATOM 168 N LYS A 11 3.757 10.787 5.037 1.00 13.56 N ATOM 169 CA LYS A 11 3.251 11.215 3.769 1.00 11.91 C ATOM 170 C LYS A 11 2.020 10.417 3.507 1.00 10.18 C ATOM 171 O LYS A 11 2.204 9.201 3.474 1.00 9.10 O ATOM 172 CB LYS A 11 4.234 11.139 2.589 1.00 13.43 C ATOM 173 CG LYS A 11 4.218 12.273 1.562 1.00 16.69 C ATOM 174 CD LYS A 11 5.002 11.828 0.325 1.00 17.92 C ATOM 175 CE LYS A 11 4.825 12.647 -0.955 1.00 20.81 C ATOM 176 NZ LYS A 11 5.777 12.151 -1.975 1.00 21.93 N ATOM 0 H LYS A 11 4.036 9.806 5.024 1.00 13.56 H new ATOM 0 HA LYS A 11 3.049 12.284 3.838 1.00 11.91 H new ATOM 0 HB2 LYS A 11 5.242 11.075 2.999 1.00 13.43 H new ATOM 0 HB3 LYS A 11 4.046 10.206 2.058 1.00 13.43 H new ATOM 0 HG2 LYS A 11 3.192 12.521 1.290 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.662 13.173 1.987 1.00 16.69 H new ATOM 0 HD2 LYS A 11 6.062 11.828 0.580 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.727 10.796 0.105 1.00 17.92 H new ATOM 0 HE2 LYS A 11 3.802 12.560 -1.320 1.00 20.81 H new ATOM 0 HE3 LYS A 11 5.003 13.703 -0.755 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 6.288 12.955 -2.393 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 6.457 11.502 -1.529 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.256 11.647 -2.720 1.00 21.93 H new ATOM 190 N THR A 12 0.850 11.067 3.376 1.00 9.63 N ATOM 191 CA THR A 12 -0.412 10.449 3.111 1.00 9.85 C ATOM 192 C THR A 12 -0.649 10.362 1.643 1.00 11.66 C ATOM 193 O THR A 12 -0.980 11.323 0.950 1.00 12.33 O ATOM 194 CB THR A 12 -1.596 11.162 3.692 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.359 11.458 5.061 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.881 10.318 3.656 1.00 9.63 C ATOM 0 H THR A 12 0.781 12.081 3.460 1.00 9.63 H new ATOM 0 HA THR A 12 -0.336 9.471 3.586 1.00 9.85 H new ATOM 0 HB THR A 12 -1.729 12.058 3.085 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.136 11.925 5.434 1.00 10.91 H new ATOM 0 HG21 THR A 12 -3.703 10.888 4.090 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.121 10.064 2.623 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.731 9.403 4.229 1.00 9.63 H new ATOM 204 N ILE A 13 -0.465 9.133 1.127 1.00 10.42 N ATOM 205 CA ILE A 13 -0.554 8.737 -0.244 1.00 11.84 C ATOM 206 C ILE A 13 -1.897 8.208 -0.613 1.00 10.55 C ATOM 207 O ILE A 13 -2.225 7.115 -0.154 1.00 11.92 O ATOM 208 CB ILE A 13 0.487 7.729 -0.630 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.881 8.280 -0.286 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.498 7.314 -2.111 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.091 7.406 -0.612 1.00 16.46 C ATOM 0 H ILE A 13 -0.232 8.344 1.729 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.376 9.657 -0.801 1.00 11.84 H new ATOM 0 HB ILE A 13 0.229 6.834 -0.063 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.004 9.230 -0.806 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.902 8.496 0.782 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.289 6.583 -2.278 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.464 6.874 -2.373 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.677 8.191 -2.733 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.004 7.923 -0.315 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.015 6.463 -0.071 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.119 7.208 -1.684 1.00 16.46 H new ATOM 223 N THR A 14 -2.787 9.005 -1.231 1.00 9.39 N ATOM 224 CA THR A 14 -4.088 8.526 -1.584 1.00 9.63 C ATOM 225 C THR A 14 -4.071 7.591 -2.744 1.00 11.20 C ATOM 226 O THR A 14 -3.643 8.014 -3.816 1.00 11.63 O ATOM 227 CB THR A 14 -5.158 9.549 -1.824 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.162 10.511 -0.780 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.548 8.890 -1.791 1.00 11.66 C ATOM 0 H THR A 14 -2.608 9.976 -1.485 1.00 9.39 H new ATOM 0 HA THR A 14 -4.363 8.009 -0.665 1.00 9.63 H new ATOM 0 HB THR A 14 -4.954 10.006 -2.792 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.864 11.174 -0.949 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.313 9.646 -1.967 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.607 8.126 -2.567 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.710 8.430 -0.816 1.00 11.66 H new ATOM 237 N LEU A 15 -4.540 6.330 -2.734 1.00 8.29 N ATOM 238 CA LEU A 15 -4.596 5.515 -3.907 1.00 9.03 C ATOM 239 C LEU A 15 -6.061 5.338 -4.117 1.00 8.59 C ATOM 240 O LEU A 15 -6.803 5.231 -3.142 1.00 7.79 O ATOM 241 CB LEU A 15 -3.893 4.148 -3.961 1.00 11.08 C ATOM 242 CG LEU A 15 -2.367 4.259 -3.801 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.679 5.316 -4.681 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.045 4.292 -2.298 1.00 15.88 C ATOM 0 H LEU A 15 -4.887 5.868 -1.894 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.018 6.034 -4.672 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.291 3.508 -3.174 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.120 3.664 -4.911 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.899 3.369 -4.222 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.606 5.308 -4.487 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.860 5.088 -5.732 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.083 6.302 -4.449 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.967 4.371 -2.159 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.534 5.152 -1.840 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.406 3.377 -1.828 1.00 15.88 H new ATOM 256 N GLU A 16 -6.519 5.220 -5.376 1.00 11.04 N ATOM 257 CA GLU A 16 -7.831 4.726 -5.659 1.00 11.50 C ATOM 258 C GLU A 16 -7.703 3.335 -6.177 1.00 10.13 C ATOM 259 O GLU A 16 -6.823 2.973 -6.956 1.00 9.83 O ATOM 260 CB GLU A 16 -8.406 5.574 -6.806 1.00 17.22 C ATOM 261 CG GLU A 16 -7.459 5.900 -7.963 1.00 23.33 C ATOM 262 CD GLU A 16 -8.266 6.388 -9.157 1.00 26.99 C ATOM 263 OE1 GLU A 16 -8.868 5.534 -9.861 1.00 28.90 O ATOM 264 OE2 GLU A 16 -8.250 7.606 -9.482 1.00 28.86 O ATOM 0 H GLU A 16 -5.977 5.469 -6.203 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.457 4.763 -4.768 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -9.273 5.053 -7.213 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -8.767 6.513 -6.387 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -6.744 6.664 -7.657 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -6.884 5.015 -8.236 1.00 23.33 H new ATOM 271 N VAL A 17 -8.586 2.483 -5.625 1.00 8.99 N ATOM 272 CA VAL A 17 -8.754 1.079 -5.840 1.00 8.85 C ATOM 273 C VAL A 17 -10.206 0.805 -5.644 1.00 8.04 C ATOM 274 O VAL A 17 -10.976 1.730 -5.389 1.00 8.99 O ATOM 275 CB VAL A 17 -7.918 0.229 -4.930 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.463 0.311 -5.422 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.046 0.772 -3.497 1.00 10.54 C ATOM 0 H VAL A 17 -9.264 2.826 -4.944 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.416 0.818 -6.843 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.244 -0.811 -4.936 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.827 -0.298 -4.780 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.404 -0.058 -6.446 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.126 1.347 -5.389 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.443 0.164 -2.822 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.696 1.804 -3.466 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.090 0.734 -3.185 1.00 10.54 H new ATOM 287 N GLU A 18 -10.623 -0.473 -5.679 1.00 7.29 N ATOM 288 CA GLU A 18 -11.910 -0.988 -5.329 1.00 7.08 C ATOM 289 C GLU A 18 -11.717 -2.292 -4.634 1.00 6.45 C ATOM 290 O GLU A 18 -10.649 -2.852 -4.877 1.00 5.28 O ATOM 291 CB GLU A 18 -12.983 -1.204 -6.409 1.00 10.28 C ATOM 292 CG GLU A 18 -13.711 0.022 -6.963 1.00 12.65 C ATOM 293 CD GLU A 18 -14.683 0.612 -5.951 1.00 14.15 C ATOM 294 OE1 GLU A 18 -15.847 0.132 -5.896 1.00 14.33 O ATOM 295 OE2 GLU A 18 -14.247 1.474 -5.142 1.00 18.17 O ATOM 0 H GLU A 18 -9.995 -1.217 -5.983 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.322 -0.174 -4.732 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -12.512 -1.718 -7.247 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.734 -1.880 -6.001 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.981 0.779 -7.249 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -14.253 -0.256 -7.867 1.00 12.65 H new ATOM 302 N PRO A 19 -12.607 -2.893 -3.902 1.00 7.24 N ATOM 303 CA PRO A 19 -12.400 -4.026 -3.048 1.00 7.07 C ATOM 304 C PRO A 19 -11.933 -5.296 -3.671 1.00 6.65 C ATOM 305 O PRO A 19 -11.434 -6.160 -2.952 1.00 6.37 O ATOM 306 CB PRO A 19 -13.752 -4.375 -2.429 1.00 7.61 C ATOM 307 CG PRO A 19 -14.250 -2.950 -2.140 1.00 8.16 C ATOM 308 CD PRO A 19 -13.755 -2.173 -3.370 1.00 7.49 C ATOM 0 HA PRO A 19 -11.607 -3.704 -2.374 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -14.402 -4.919 -3.114 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.660 -4.981 -1.528 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -15.335 -2.910 -2.044 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.833 -2.554 -1.214 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.543 -2.097 -4.120 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.477 -1.155 -3.096 1.00 7.49 H new ATOM 316 N SER A 20 -12.154 -5.527 -4.977 1.00 6.80 N ATOM 317 CA SER A 20 -11.846 -6.711 -5.717 1.00 6.28 C ATOM 318 C SER A 20 -10.517 -6.587 -6.379 1.00 8.45 C ATOM 319 O SER A 20 -9.918 -7.512 -6.926 1.00 7.26 O ATOM 320 CB SER A 20 -13.066 -7.132 -6.554 1.00 8.57 C ATOM 321 OG SER A 20 -13.743 -6.079 -7.224 1.00 11.13 O ATOM 0 H SER A 20 -12.589 -4.818 -5.568 1.00 6.80 H new ATOM 0 HA SER A 20 -11.687 -7.578 -5.076 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.741 -7.861 -7.296 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.776 -7.638 -5.900 1.00 8.57 H new ATOM 0 HG SER A 20 -14.499 -6.445 -7.728 1.00 11.13 H new ATOM 327 N ASP A 21 -9.871 -5.409 -6.314 1.00 7.50 N ATOM 328 CA ASP A 21 -8.488 -5.360 -6.673 1.00 7.70 C ATOM 329 C ASP A 21 -7.550 -5.931 -5.665 1.00 7.08 C ATOM 330 O ASP A 21 -7.931 -6.147 -4.515 1.00 8.11 O ATOM 331 CB ASP A 21 -8.100 -3.934 -7.097 1.00 11.00 C ATOM 332 CG ASP A 21 -8.951 -3.216 -8.136 1.00 15.32 C ATOM 333 OD1 ASP A 21 -9.214 -3.728 -9.256 1.00 14.36 O ATOM 334 OD2 ASP A 21 -9.375 -2.079 -7.796 1.00 18.03 O ATOM 0 H ASP A 21 -10.285 -4.523 -6.025 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.376 -6.028 -7.527 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.086 -3.316 -6.199 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -7.079 -3.970 -7.476 1.00 11.00 H new ATOM 339 N THR A 22 -6.276 -6.164 -6.028 1.00 5.37 N ATOM 340 CA THR A 22 -5.245 -6.692 -5.189 1.00 6.01 C ATOM 341 C THR A 22 -4.418 -5.736 -4.400 1.00 8.01 C ATOM 342 O THR A 22 -4.447 -4.524 -4.610 1.00 8.11 O ATOM 343 CB THR A 22 -4.229 -7.488 -5.953 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.905 -6.937 -7.221 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.940 -8.800 -6.324 1.00 9.65 C ATOM 0 H THR A 22 -5.944 -5.970 -6.973 1.00 5.37 H new ATOM 0 HA THR A 22 -5.863 -7.272 -4.504 1.00 6.01 H new ATOM 0 HB THR A 22 -3.332 -7.553 -5.338 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.238 -7.503 -7.663 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.258 -9.437 -6.887 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.251 -9.315 -5.415 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.816 -8.579 -6.934 1.00 9.65 H new ATOM 353 N ILE A 23 -3.596 -6.252 -3.469 1.00 8.32 N ATOM 354 CA ILE A 23 -2.823 -5.336 -2.689 1.00 9.92 C ATOM 355 C ILE A 23 -1.552 -5.053 -3.413 1.00 10.01 C ATOM 356 O ILE A 23 -0.857 -4.080 -3.125 1.00 8.71 O ATOM 357 CB ILE A 23 -2.695 -5.822 -1.276 1.00 10.78 C ATOM 358 CG1 ILE A 23 -4.069 -6.109 -0.647 1.00 11.38 C ATOM 359 CG2 ILE A 23 -1.854 -4.811 -0.478 1.00 10.90 C ATOM 360 CD1 ILE A 23 -4.187 -7.083 0.524 1.00 12.30 C ATOM 0 H ILE A 23 -3.469 -7.243 -3.263 1.00 8.32 H new ATOM 0 HA ILE A 23 -3.318 -4.371 -2.578 1.00 9.92 H new ATOM 0 HB ILE A 23 -2.175 -6.780 -1.259 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -4.480 -5.155 -0.317 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -4.718 -6.478 -1.441 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -1.754 -5.154 0.552 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.866 -4.724 -0.929 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -2.346 -3.838 -0.491 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -5.230 -7.157 0.832 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.829 -8.066 0.217 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.587 -6.722 1.359 1.00 12.30 H new ATOM 372 N GLU A 24 -1.246 -5.862 -4.443 1.00 9.54 N ATOM 373 CA GLU A 24 -0.315 -5.550 -5.483 1.00 11.81 C ATOM 374 C GLU A 24 -0.670 -4.324 -6.252 1.00 11.14 C ATOM 375 O GLU A 24 0.148 -3.436 -6.488 1.00 10.62 O ATOM 376 CB GLU A 24 -0.075 -6.759 -6.402 1.00 19.24 C ATOM 377 CG GLU A 24 1.189 -6.620 -7.254 1.00 27.76 C ATOM 378 CD GLU A 24 1.283 -7.570 -8.440 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.251 -7.758 -9.137 1.00 34.80 O ATOM 380 OE2 GLU A 24 2.423 -8.031 -8.717 1.00 36.51 O ATOM 0 H GLU A 24 -1.671 -6.782 -4.556 1.00 9.54 H new ATOM 0 HA GLU A 24 0.627 -5.317 -4.986 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.000 -7.661 -5.795 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.936 -6.887 -7.058 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.247 -5.596 -7.624 1.00 27.76 H new ATOM 0 HG3 GLU A 24 2.057 -6.777 -6.614 1.00 27.76 H new ATOM 387 N ASN A 25 -1.928 -4.162 -6.698 1.00 9.43 N ATOM 388 CA ASN A 25 -2.425 -3.014 -7.391 1.00 10.96 C ATOM 389 C ASN A 25 -2.258 -1.706 -6.697 1.00 9.68 C ATOM 390 O ASN A 25 -1.867 -0.668 -7.228 1.00 9.33 O ATOM 391 CB ASN A 25 -3.924 -3.212 -7.672 1.00 16.78 C ATOM 392 CG ASN A 25 -4.589 -2.151 -8.538 1.00 22.31 C ATOM 393 OD1 ASN A 25 -5.161 -1.211 -7.988 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.673 -2.376 -9.876 1.00 24.70 N ATOM 0 H ASN A 25 -2.643 -4.878 -6.566 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.819 -2.951 -8.295 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.058 -4.181 -8.153 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.449 -3.255 -6.718 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -5.227 -1.753 -10.464 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -4.182 -3.168 -10.292 1.00 24.70 H new ATOM 401 N VAL A 26 -2.480 -1.671 -5.371 1.00 6.52 N ATOM 402 CA VAL A 26 -2.133 -0.593 -4.498 1.00 5.53 C ATOM 403 C VAL A 26 -0.705 -0.184 -4.609 1.00 4.42 C ATOM 404 O VAL A 26 -0.433 0.978 -4.904 1.00 3.40 O ATOM 405 CB VAL A 26 -2.544 -0.893 -3.086 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.095 0.196 -2.097 1.00 7.25 C ATOM 407 CG2 VAL A 26 -4.068 -1.050 -2.948 1.00 8.12 C ATOM 0 H VAL A 26 -2.929 -2.443 -4.879 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.700 0.278 -4.826 1.00 5.53 H new ATOM 0 HB VAL A 26 -2.048 -1.833 -2.843 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.418 -0.071 -1.091 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.009 0.282 -2.119 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.540 1.150 -2.380 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.319 -1.266 -1.910 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.558 -0.126 -3.255 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.408 -1.869 -3.582 1.00 8.12 H new ATOM 417 N LYS A 27 0.237 -1.129 -4.437 1.00 2.64 N ATOM 418 CA LYS A 27 1.642 -0.958 -4.647 1.00 4.14 C ATOM 419 C LYS A 27 2.030 -0.597 -6.039 1.00 5.58 C ATOM 420 O LYS A 27 3.038 0.082 -6.230 1.00 4.11 O ATOM 421 CB LYS A 27 2.481 -2.161 -4.185 1.00 3.97 C ATOM 422 CG LYS A 27 2.289 -2.650 -2.748 1.00 7.45 C ATOM 423 CD LYS A 27 3.028 -3.948 -2.420 1.00 9.02 C ATOM 424 CE LYS A 27 2.794 -4.448 -0.993 1.00 12.90 C ATOM 425 NZ LYS A 27 3.756 -5.525 -0.668 1.00 15.47 N ATOM 0 H LYS A 27 0.001 -2.073 -4.132 1.00 2.64 H new ATOM 0 HA LYS A 27 1.871 -0.101 -4.014 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.269 -2.995 -4.854 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.533 -1.907 -4.315 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.626 -1.871 -2.064 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.224 -2.796 -2.566 1.00 7.45 H new ATOM 0 HD2 LYS A 27 2.715 -4.721 -3.122 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.097 -3.795 -2.571 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.906 -3.625 -0.288 1.00 12.90 H new ATOM 0 HE3 LYS A 27 1.774 -4.818 -0.892 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 3.421 -6.050 0.165 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 3.837 -6.174 -1.477 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.687 -5.109 -0.464 1.00 15.47 H new ATOM 439 N ALA A 28 1.326 -0.990 -7.116 1.00 6.61 N ATOM 440 CA ALA A 28 1.378 -0.544 -8.473 1.00 7.74 C ATOM 441 C ALA A 28 0.928 0.863 -8.666 1.00 9.17 C ATOM 442 O ALA A 28 1.457 1.552 -9.537 1.00 11.45 O ATOM 443 CB ALA A 28 0.574 -1.544 -9.321 1.00 7.68 C ATOM 0 H ALA A 28 0.624 -1.723 -7.014 1.00 6.61 H new ATOM 0 HA ALA A 28 2.418 -0.523 -8.797 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.593 -1.233 -10.366 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.016 -2.536 -9.230 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.457 -1.572 -8.970 1.00 7.68 H new ATOM 449 N LYS A 29 -0.001 1.380 -7.842 1.00 8.96 N ATOM 450 CA LYS A 29 -0.329 2.759 -8.027 1.00 7.90 C ATOM 451 C LYS A 29 0.487 3.653 -7.157 1.00 6.92 C ATOM 452 O LYS A 29 0.602 4.845 -7.436 1.00 6.87 O ATOM 453 CB LYS A 29 -1.844 2.895 -7.795 1.00 10.28 C ATOM 454 CG LYS A 29 -2.782 2.182 -8.771 1.00 14.94 C ATOM 455 CD LYS A 29 -4.273 2.504 -8.648 1.00 19.69 C ATOM 456 CE LYS A 29 -5.168 1.729 -9.617 1.00 22.63 C ATOM 457 NZ LYS A 29 -6.609 2.050 -9.507 1.00 24.98 N ATOM 0 H LYS A 29 -0.495 0.886 -7.098 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.086 3.083 -9.039 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -2.063 2.529 -6.792 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.091 3.957 -7.808 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.464 2.422 -9.786 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.654 1.107 -8.643 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.595 2.294 -7.628 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.417 3.572 -8.814 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.840 1.931 -10.637 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.032 0.661 -9.444 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -7.170 1.272 -9.909 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -6.861 2.177 -8.506 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -6.810 2.927 -10.028 1.00 24.98 H new ATOM 471 N ILE A 30 1.154 3.055 -6.154 1.00 4.57 N ATOM 472 CA ILE A 30 2.298 3.633 -5.520 1.00 5.58 C ATOM 473 C ILE A 30 3.478 3.802 -6.414 1.00 7.26 C ATOM 474 O ILE A 30 4.250 4.757 -6.343 1.00 9.46 O ATOM 475 CB ILE A 30 2.617 3.007 -4.195 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.434 3.107 -3.218 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.891 3.603 -3.573 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.578 2.200 -1.997 1.00 2.00 C ATOM 0 H ILE A 30 0.891 2.146 -5.774 1.00 4.57 H new ATOM 0 HA ILE A 30 2.002 4.656 -5.289 1.00 5.58 H new ATOM 0 HB ILE A 30 2.804 1.950 -4.385 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.334 4.140 -2.884 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.515 2.852 -3.745 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.087 3.123 -2.614 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.735 3.436 -4.242 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.755 4.674 -3.421 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.709 2.320 -1.350 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.648 1.162 -2.321 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.480 2.470 -1.448 1.00 2.00 H new ATOM 490 N GLN A 31 3.722 2.868 -7.350 1.00 7.06 N ATOM 491 CA GLN A 31 4.712 2.943 -8.380 1.00 8.67 C ATOM 492 C GLN A 31 4.485 3.971 -9.434 1.00 10.90 C ATOM 493 O GLN A 31 5.363 4.325 -10.218 1.00 9.63 O ATOM 494 CB GLN A 31 4.749 1.607 -9.140 1.00 9.12 C ATOM 495 CG GLN A 31 6.109 1.352 -9.792 1.00 10.76 C ATOM 496 CD GLN A 31 6.258 -0.013 -10.450 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.372 -0.782 -10.822 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.574 -0.210 -10.729 1.00 14.76 N ATOM 0 H GLN A 31 3.189 1.999 -7.389 1.00 7.06 H new ATOM 0 HA GLN A 31 5.625 3.201 -7.844 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.519 0.793 -8.452 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.974 1.605 -9.907 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.286 2.122 -10.543 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.885 1.461 -9.034 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.271 0.457 -10.398 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.864 -1.025 -11.270 1.00 14.76 H new ATOM 507 N ASP A 32 3.218 4.399 -9.582 1.00 10.93 N ATOM 508 CA ASP A 32 2.789 5.315 -10.592 1.00 14.01 C ATOM 509 C ASP A 32 3.079 6.656 -10.012 1.00 14.04 C ATOM 510 O ASP A 32 3.876 7.440 -10.525 1.00 13.39 O ATOM 511 CB ASP A 32 1.311 4.953 -10.813 1.00 18.01 C ATOM 512 CG ASP A 32 0.681 5.786 -11.921 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.047 5.585 -13.109 1.00 25.17 O ATOM 514 OD2 ASP A 32 -0.149 6.664 -11.563 1.00 26.29 O ATOM 0 H ASP A 32 2.461 4.093 -8.971 1.00 10.93 H new ATOM 0 HA ASP A 32 3.268 5.290 -11.571 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.230 3.895 -11.064 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.758 5.104 -9.886 1.00 18.01 H new ATOM 519 N LYS A 33 2.483 6.948 -8.842 1.00 14.22 N ATOM 520 CA LYS A 33 2.639 8.122 -8.041 1.00 14.00 C ATOM 521 C LYS A 33 3.993 8.337 -7.459 1.00 12.37 C ATOM 522 O LYS A 33 4.580 9.386 -7.721 1.00 12.17 O ATOM 523 CB LYS A 33 1.586 8.248 -6.927 1.00 18.62 C ATOM 524 CG LYS A 33 0.109 8.165 -7.316 1.00 24.00 C ATOM 525 CD LYS A 33 -0.812 8.385 -6.113 1.00 27.61 C ATOM 526 CE LYS A 33 -0.979 9.844 -5.686 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.344 10.626 -6.888 1.00 30.06 N ATOM 0 H LYS A 33 1.826 6.294 -8.417 1.00 14.22 H new ATOM 0 HA LYS A 33 2.486 8.911 -8.777 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.782 7.466 -6.194 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.745 9.202 -6.425 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -0.108 8.912 -8.080 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -0.096 7.189 -7.756 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.795 7.976 -6.347 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.423 7.817 -5.268 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.752 9.933 -4.923 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.055 10.223 -5.249 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.833 11.498 -6.600 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.483 10.871 -7.417 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.973 10.060 -7.493 1.00 30.06 H new ATOM 541 N GLU A 34 4.530 7.457 -6.594 1.00 10.11 N ATOM 542 CA GLU A 34 5.812 7.717 -6.017 1.00 10.07 C ATOM 543 C GLU A 34 6.919 7.345 -6.942 1.00 9.32 C ATOM 544 O GLU A 34 7.753 8.193 -7.254 1.00 11.61 O ATOM 545 CB GLU A 34 5.926 6.993 -4.665 1.00 14.77 C ATOM 546 CG GLU A 34 5.096 7.762 -3.635 1.00 18.75 C ATOM 547 CD GLU A 34 5.568 9.156 -3.246 1.00 22.28 C ATOM 548 OE1 GLU A 34 6.501 9.237 -2.403 1.00 21.95 O ATOM 549 OE2 GLU A 34 5.095 10.229 -3.706 1.00 25.19 O ATOM 0 H GLU A 34 4.089 6.586 -6.300 1.00 10.11 H new ATOM 0 HA GLU A 34 5.906 8.789 -5.844 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.567 5.968 -4.752 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.968 6.940 -4.350 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.079 7.847 -4.019 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.045 7.160 -2.728 1.00 18.75 H new ATOM 556 N GLY A 35 6.972 6.069 -7.365 1.00 7.22 N ATOM 557 CA GLY A 35 7.953 5.551 -8.268 1.00 6.29 C ATOM 558 C GLY A 35 8.669 4.420 -7.614 1.00 6.93 C ATOM 559 O GLY A 35 9.773 4.035 -7.996 1.00 7.41 O ATOM 0 H GLY A 35 6.299 5.365 -7.063 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.476 5.212 -9.188 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.660 6.333 -8.545 1.00 6.29 H new ATOM 563 N ILE A 36 8.078 3.868 -6.539 1.00 5.86 N ATOM 564 CA ILE A 36 8.687 2.844 -5.747 1.00 6.07 C ATOM 565 C ILE A 36 8.302 1.512 -6.293 1.00 6.36 C ATOM 566 O ILE A 36 7.101 1.355 -6.505 1.00 6.18 O ATOM 567 CB ILE A 36 8.259 2.859 -4.310 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.447 4.221 -3.619 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.917 1.715 -3.521 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.492 4.340 -2.432 1.00 9.49 C ATOM 0 H ILE A 36 7.151 4.141 -6.211 1.00 5.86 H new ATOM 0 HA ILE A 36 9.760 3.030 -5.789 1.00 6.07 H new ATOM 0 HB ILE A 36 7.182 2.690 -4.315 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.477 4.327 -3.280 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.261 5.027 -4.329 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.587 1.752 -2.483 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.630 0.759 -3.959 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.001 1.822 -3.561 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.631 5.307 -1.948 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.463 4.255 -2.783 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.699 3.544 -1.717 1.00 9.49 H new ATOM 582 N PRO A 37 9.121 0.536 -6.549 1.00 8.65 N ATOM 583 CA PRO A 37 8.699 -0.728 -7.081 1.00 9.18 C ATOM 584 C PRO A 37 7.840 -1.569 -6.201 1.00 9.85 C ATOM 585 O PRO A 37 7.864 -1.365 -4.988 1.00 8.51 O ATOM 586 CB PRO A 37 10.001 -1.442 -7.440 1.00 11.42 C ATOM 587 CG PRO A 37 10.905 -0.267 -7.848 1.00 9.27 C ATOM 588 CD PRO A 37 10.517 0.826 -6.840 1.00 8.33 C ATOM 0 HA PRO A 37 8.035 -0.552 -7.927 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.409 -1.997 -6.595 1.00 11.42 H new ATOM 0 HB3 PRO A 37 9.865 -2.155 -8.254 1.00 11.42 H new ATOM 0 HG2 PRO A 37 11.961 -0.526 -7.777 1.00 9.27 H new ATOM 0 HG3 PRO A 37 10.722 0.047 -8.876 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.133 0.781 -5.942 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.641 1.824 -7.261 1.00 8.33 H new ATOM 596 N PRO A 38 7.023 -2.495 -6.608 1.00 8.71 N ATOM 597 CA PRO A 38 6.139 -3.229 -5.750 1.00 9.08 C ATOM 598 C PRO A 38 6.872 -4.147 -4.835 1.00 9.28 C ATOM 599 O PRO A 38 6.323 -4.578 -3.821 1.00 6.50 O ATOM 600 CB PRO A 38 5.214 -4.113 -6.583 1.00 10.31 C ATOM 601 CG PRO A 38 5.206 -3.195 -7.816 1.00 10.81 C ATOM 602 CD PRO A 38 6.605 -2.585 -7.999 1.00 12.00 C ATOM 0 HA PRO A 38 5.591 -2.484 -5.173 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.620 -5.105 -6.781 1.00 10.31 H new ATOM 0 HB3 PRO A 38 4.229 -4.255 -6.138 1.00 10.31 H new ATOM 0 HG2 PRO A 38 4.924 -3.761 -8.704 1.00 10.81 H new ATOM 0 HG3 PRO A 38 4.465 -2.405 -7.692 1.00 10.81 H new ATOM 0 HD2 PRO A 38 7.263 -3.220 -8.592 1.00 12.00 H new ATOM 0 HD3 PRO A 38 6.575 -1.612 -8.489 1.00 12.00 H new ATOM 610 N ASP A 39 8.107 -4.566 -5.165 1.00 11.20 N ATOM 611 CA ASP A 39 8.912 -5.578 -4.555 1.00 14.96 C ATOM 612 C ASP A 39 9.501 -5.004 -3.312 1.00 13.99 C ATOM 613 O ASP A 39 9.653 -5.660 -2.283 1.00 13.75 O ATOM 614 CB ASP A 39 9.997 -6.288 -5.381 1.00 24.16 C ATOM 615 CG ASP A 39 10.904 -5.410 -6.232 1.00 31.06 C ATOM 616 OD1 ASP A 39 10.568 -4.206 -6.386 1.00 35.55 O ATOM 617 OD2 ASP A 39 11.880 -5.969 -6.801 1.00 34.22 O ATOM 0 H ASP A 39 8.595 -4.142 -5.954 1.00 11.20 H new ATOM 0 HA ASP A 39 8.213 -6.398 -4.386 1.00 14.96 H new ATOM 0 HB2 ASP A 39 10.624 -6.859 -4.697 1.00 24.16 H new ATOM 0 HB3 ASP A 39 9.507 -7.006 -6.039 1.00 24.16 H new ATOM 622 N GLN A 40 9.701 -3.674 -3.302 1.00 11.60 N ATOM 623 CA GLN A 40 10.322 -2.945 -2.241 1.00 10.76 C ATOM 624 C GLN A 40 9.450 -2.921 -1.033 1.00 8.01 C ATOM 625 O GLN A 40 9.939 -2.832 0.092 1.00 8.96 O ATOM 626 CB GLN A 40 10.594 -1.478 -2.615 1.00 11.14 C ATOM 627 CG GLN A 40 11.127 -0.487 -1.579 1.00 14.85 C ATOM 628 CD GLN A 40 12.566 -0.671 -1.119 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.008 -0.287 -0.037 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.401 -1.236 -2.032 1.00 18.16 N ATOM 0 H GLN A 40 9.414 -3.076 -4.077 1.00 11.60 H new ATOM 0 HA GLN A 40 11.263 -3.459 -2.046 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.302 -1.486 -3.443 1.00 11.14 H new ATOM 0 HB3 GLN A 40 9.660 -1.068 -2.998 1.00 11.14 H new ATOM 0 HG2 GLN A 40 11.029 0.518 -1.991 1.00 14.85 H new ATOM 0 HG3 GLN A 40 10.483 -0.536 -0.701 1.00 14.85 H new ATOM 0 HE21 GLN A 40 13.035 -1.555 -2.929 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.393 -1.341 -1.819 1.00 18.16 H new ATOM 639 N GLN A 41 8.123 -2.854 -1.244 1.00 6.52 N ATOM 640 CA GLN A 41 7.207 -2.261 -0.320 1.00 3.87 C ATOM 641 C GLN A 41 6.578 -3.284 0.562 1.00 4.79 C ATOM 642 O GLN A 41 6.115 -4.297 0.040 1.00 6.34 O ATOM 643 CB GLN A 41 6.058 -1.631 -1.125 1.00 4.20 C ATOM 644 CG GLN A 41 6.466 -0.438 -1.992 1.00 3.20 C ATOM 645 CD GLN A 41 5.284 -0.036 -2.862 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.184 0.174 -2.352 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.528 0.229 -4.173 1.00 7.13 N ATOM 0 H GLN A 41 7.674 -3.223 -2.082 1.00 6.52 H new ATOM 0 HA GLN A 41 7.759 -1.539 0.283 1.00 3.87 H new ATOM 0 HB2 GLN A 41 5.619 -2.396 -1.766 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.280 -1.311 -0.432 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.773 0.398 -1.363 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.321 -0.699 -2.615 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.450 0.044 -4.568 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.789 0.612 -4.762 1.00 7.13 H new ATOM 656 N ARG A 42 6.543 -2.992 1.874 1.00 5.73 N ATOM 657 CA ARG A 42 5.885 -3.828 2.830 1.00 6.97 C ATOM 658 C ARG A 42 4.724 -3.002 3.265 1.00 7.15 C ATOM 659 O ARG A 42 4.869 -1.806 3.513 1.00 7.33 O ATOM 660 CB ARG A 42 6.852 -4.215 3.962 1.00 13.23 C ATOM 661 CG ARG A 42 6.322 -5.259 4.947 1.00 21.27 C ATOM 662 CD ARG A 42 7.206 -5.758 6.091 1.00 26.14 C ATOM 663 NE ARG A 42 8.073 -6.884 5.643 1.00 32.26 N ATOM 664 CZ ARG A 42 9.284 -7.205 6.185 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.711 -6.621 7.342 1.00 35.30 N ATOM 666 NH2 ARG A 42 10.162 -8.038 5.554 1.00 36.39 N ATOM 0 H ARG A 42 6.978 -2.163 2.278 1.00 5.73 H new ATOM 0 HA ARG A 42 5.550 -4.789 2.441 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.773 -4.593 3.518 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.113 -3.315 4.518 1.00 13.23 H new ATOM 0 HG2 ARG A 42 5.416 -4.850 5.394 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.025 -6.131 4.364 1.00 21.27 H new ATOM 0 HD2 ARG A 42 7.826 -4.941 6.459 1.00 26.14 H new ATOM 0 HD3 ARG A 42 6.581 -6.084 6.923 1.00 26.14 H new ATOM 0 HE ARG A 42 7.735 -7.460 4.872 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.123 -5.934 7.814 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.618 -6.871 7.735 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.921 -8.442 4.649 1.00 36.39 H new ATOM 0 HH22 ARG A 42 11.059 -8.257 5.988 1.00 36.39 H new ATOM 680 N LEU A 43 3.507 -3.573 3.297 1.00 4.65 N ATOM 681 CA LEU A 43 2.407 -2.890 3.904 1.00 3.51 C ATOM 682 C LEU A 43 1.899 -3.650 5.081 1.00 5.56 C ATOM 683 O LEU A 43 1.544 -4.826 5.022 1.00 4.19 O ATOM 684 CB LEU A 43 1.197 -2.783 2.961 1.00 3.74 C ATOM 685 CG LEU A 43 1.251 -1.929 1.683 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.330 -2.431 0.559 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.077 -0.449 2.066 1.00 9.55 C ATOM 0 H LEU A 43 3.286 -4.491 2.910 1.00 4.65 H new ATOM 0 HA LEU A 43 2.792 -1.905 4.170 1.00 3.51 H new ATOM 0 HB2 LEU A 43 0.943 -3.798 2.654 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.363 -2.412 3.556 1.00 3.74 H new ATOM 0 HG LEU A 43 2.234 -2.034 1.224 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.424 -1.777 -0.308 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.615 -3.446 0.281 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.703 -2.427 0.906 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.114 0.166 1.167 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.115 -0.312 2.561 1.00 9.55 H new ATOM 0 HD23 LEU A 43 1.878 -0.151 2.742 1.00 9.55 H new ATOM 699 N ILE A 44 1.865 -2.927 6.214 1.00 4.58 N ATOM 700 CA ILE A 44 1.257 -3.291 7.456 1.00 5.55 C ATOM 701 C ILE A 44 -0.127 -2.770 7.637 1.00 5.46 C ATOM 702 O ILE A 44 -0.448 -1.624 7.326 1.00 6.04 O ATOM 703 CB ILE A 44 2.076 -2.981 8.675 1.00 6.80 C ATOM 704 CG1 ILE A 44 3.480 -3.601 8.584 1.00 10.31 C ATOM 705 CG2 ILE A 44 1.398 -3.120 10.048 1.00 7.39 C ATOM 706 CD1 ILE A 44 3.500 -5.125 8.687 1.00 13.90 C ATOM 0 H ILE A 44 2.302 -2.007 6.263 1.00 4.58 H new ATOM 0 HA ILE A 44 1.201 -4.376 7.369 1.00 5.55 H new ATOM 0 HB ILE A 44 2.190 -1.897 8.642 1.00 6.80 H new ATOM 0 HG12 ILE A 44 3.934 -3.306 7.638 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.100 -3.186 9.379 1.00 10.31 H new ATOM 0 HG21 ILE A 44 2.110 -2.864 10.833 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.542 -2.447 10.101 1.00 7.39 H new ATOM 0 HG23 ILE A 44 1.061 -4.147 10.185 1.00 7.39 H new ATOM 0 HD11 ILE A 44 4.528 -5.481 8.614 1.00 13.90 H new ATOM 0 HD12 ILE A 44 3.077 -5.431 9.644 1.00 13.90 H new ATOM 0 HD13 ILE A 44 2.909 -5.552 7.877 1.00 13.90 H new ATOM 718 N PHE A 45 -1.086 -3.612 8.060 1.00 6.75 N ATOM 719 CA PHE A 45 -2.419 -3.226 8.406 1.00 4.70 C ATOM 720 C PHE A 45 -2.701 -3.655 9.805 1.00 6.34 C ATOM 721 O PHE A 45 -2.639 -4.834 10.150 1.00 5.45 O ATOM 722 CB PHE A 45 -3.348 -3.927 7.401 1.00 5.51 C ATOM 723 CG PHE A 45 -4.807 -3.622 7.414 1.00 5.98 C ATOM 724 CD1 PHE A 45 -5.397 -2.422 7.736 1.00 6.86 C ATOM 725 CD2 PHE A 45 -5.627 -4.723 7.352 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.755 -2.280 7.898 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.970 -4.640 7.635 1.00 6.64 C ATOM 728 CZ PHE A 45 -7.545 -3.401 7.797 1.00 6.84 C ATOM 0 H PHE A 45 -0.923 -4.613 8.166 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.567 -2.147 8.360 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.976 -3.703 6.401 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -3.238 -5.001 7.548 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.767 -1.555 7.867 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -5.206 -5.678 7.074 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -7.190 -1.312 8.100 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -7.566 -5.536 7.729 1.00 6.64 H new ATOM 0 HZ PHE A 45 -8.620 -3.308 7.845 1.00 6.84 H new ATOM 738 N ALA A 46 -2.926 -2.658 10.679 1.00 6.53 N ATOM 739 CA ALA A 46 -3.048 -2.871 12.088 1.00 7.15 C ATOM 740 C ALA A 46 -1.721 -3.225 12.667 1.00 9.00 C ATOM 741 O ALA A 46 -0.829 -2.378 12.693 1.00 11.15 O ATOM 742 CB ALA A 46 -4.190 -3.843 12.429 1.00 8.99 C ATOM 0 H ALA A 46 -3.025 -1.682 10.401 1.00 6.53 H new ATOM 0 HA ALA A 46 -3.349 -1.942 12.572 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -4.245 -3.975 13.510 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -5.134 -3.438 12.064 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -4.001 -4.806 11.955 1.00 8.99 H new ATOM 748 N GLY A 47 -1.417 -4.496 12.981 1.00 9.35 N ATOM 749 CA GLY A 47 -0.090 -4.967 13.232 1.00 11.68 C ATOM 750 C GLY A 47 0.213 -6.251 12.540 1.00 11.14 C ATOM 751 O GLY A 47 1.097 -7.018 12.919 1.00 13.93 O ATOM 0 H GLY A 47 -2.124 -5.226 13.064 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.625 -4.210 12.910 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.046 -5.098 14.305 1.00 11.68 H new ATOM 755 N LYS A 48 -0.396 -6.354 11.346 1.00 10.47 N ATOM 756 CA LYS A 48 -0.264 -7.494 10.494 1.00 8.82 C ATOM 757 C LYS A 48 0.311 -7.215 9.147 1.00 7.68 C ATOM 758 O LYS A 48 -0.011 -6.177 8.571 1.00 6.47 O ATOM 759 CB LYS A 48 -1.695 -7.904 10.107 1.00 9.74 C ATOM 760 CG LYS A 48 -1.895 -9.217 9.347 1.00 14.14 C ATOM 761 CD LYS A 48 -3.308 -9.732 9.067 1.00 16.32 C ATOM 762 CE LYS A 48 -4.112 -10.222 10.273 1.00 20.04 C ATOM 763 NZ LYS A 48 -3.312 -11.193 11.051 1.00 23.92 N ATOM 0 H LYS A 48 -0.997 -5.624 10.962 1.00 10.47 H new ATOM 0 HA LYS A 48 0.361 -8.199 11.042 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -2.284 -7.957 11.022 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -2.118 -7.102 9.502 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.391 -9.115 8.386 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -1.370 -9.995 9.901 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -3.872 -8.934 8.584 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -3.236 -10.550 8.351 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -4.389 -9.377 10.904 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -5.039 -10.687 9.938 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -3.943 -11.905 11.472 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -2.630 -11.664 10.422 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -2.800 -10.695 11.806 1.00 23.92 H new ATOM 777 N GLN A 49 1.121 -8.126 8.580 1.00 8.89 N ATOM 778 CA GLN A 49 1.536 -7.981 7.219 1.00 7.18 C ATOM 779 C GLN A 49 0.521 -8.456 6.238 1.00 8.23 C ATOM 780 O GLN A 49 -0.085 -9.521 6.343 1.00 9.70 O ATOM 781 CB GLN A 49 2.863 -8.755 7.136 1.00 11.67 C ATOM 782 CG GLN A 49 3.622 -8.731 5.808 1.00 15.82 C ATOM 783 CD GLN A 49 5.040 -9.188 6.118 1.00 20.21 C ATOM 784 OE1 GLN A 49 5.629 -8.581 7.011 1.00 23.23 O ATOM 785 NE2 GLN A 49 5.553 -10.112 5.261 1.00 20.67 N ATOM 0 H GLN A 49 1.485 -8.952 9.055 1.00 8.89 H new ATOM 0 HA GLN A 49 1.660 -6.933 6.948 1.00 7.18 H new ATOM 0 HB2 GLN A 49 3.527 -8.365 7.908 1.00 11.67 H new ATOM 0 HB3 GLN A 49 2.659 -9.796 7.386 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.151 -9.391 5.079 1.00 15.82 H new ATOM 0 HG3 GLN A 49 3.622 -7.729 5.378 1.00 15.82 H new ATOM 0 HE21 GLN A 49 4.953 -10.545 4.559 1.00 20.67 H new ATOM 0 HE22 GLN A 49 6.538 -10.371 5.320 1.00 20.67 H new ATOM 794 N LEU A 50 0.358 -7.605 5.209 1.00 6.51 N ATOM 795 CA LEU A 50 -0.496 -7.893 4.099 1.00 7.41 C ATOM 796 C LEU A 50 0.370 -8.607 3.119 1.00 8.27 C ATOM 797 O LEU A 50 1.547 -8.322 2.906 1.00 8.34 O ATOM 798 CB LEU A 50 -1.082 -6.588 3.535 1.00 7.13 C ATOM 799 CG LEU A 50 -1.950 -5.819 4.546 1.00 7.53 C ATOM 800 CD1 LEU A 50 -2.296 -4.529 3.782 1.00 9.11 C ATOM 801 CD2 LEU A 50 -3.280 -6.530 4.849 1.00 8.14 C ATOM 0 H LEU A 50 0.827 -6.702 5.147 1.00 6.51 H new ATOM 0 HA LEU A 50 -1.355 -8.508 4.366 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -0.266 -5.945 3.205 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.682 -6.819 2.654 1.00 7.13 H new ATOM 0 HG LEU A 50 -1.429 -5.696 5.495 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.920 -3.891 4.408 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.378 -4.000 3.527 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.836 -4.781 2.869 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -3.851 -5.943 5.568 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -3.854 -6.635 3.929 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -3.078 -7.517 5.266 1.00 8.14 H new ATOM 813 N GLU A 51 -0.234 -9.563 2.391 1.00 9.43 N ATOM 814 CA GLU A 51 0.217 -10.093 1.142 1.00 11.90 C ATOM 815 C GLU A 51 -0.243 -9.331 -0.052 1.00 11.49 C ATOM 816 O GLU A 51 -1.241 -8.635 0.128 1.00 9.88 O ATOM 817 CB GLU A 51 -0.294 -11.530 0.941 1.00 16.56 C ATOM 818 CG GLU A 51 0.207 -12.579 1.936 1.00 26.06 C ATOM 819 CD GLU A 51 -0.241 -14.029 1.824 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.204 -14.757 0.796 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.757 -14.500 2.873 1.00 32.13 O ATOM 0 H GLU A 51 -1.103 -9.997 2.700 1.00 9.43 H new ATOM 0 HA GLU A 51 1.303 -10.034 1.209 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -1.383 -11.514 0.982 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.018 -11.853 -0.063 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.296 -12.574 1.887 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.068 -12.234 2.933 1.00 26.06 H new ATOM 828 N ASP A 52 0.402 -9.474 -1.224 1.00 12.71 N ATOM 829 CA ASP A 52 0.106 -8.712 -2.397 1.00 16.56 C ATOM 830 C ASP A 52 -0.963 -9.216 -3.304 1.00 15.83 C ATOM 831 O ASP A 52 -1.806 -8.466 -3.794 1.00 17.21 O ATOM 832 CB ASP A 52 1.403 -8.566 -3.212 1.00 21.05 C ATOM 833 CG ASP A 52 2.696 -8.456 -2.416 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.147 -9.414 -1.735 1.00 28.37 O ATOM 835 OD2 ASP A 52 3.270 -7.335 -2.388 1.00 25.82 O ATOM 0 H ASP A 52 1.158 -10.145 -1.359 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.295 -7.774 -2.013 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.485 -9.424 -3.879 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.313 -7.680 -3.841 1.00 21.05 H new ATOM 840 N GLY A 53 -0.921 -10.548 -3.487 1.00 15.00 N ATOM 841 CA GLY A 53 -1.778 -11.085 -4.498 1.00 11.77 C ATOM 842 C GLY A 53 -3.026 -11.574 -3.848 1.00 11.10 C ATOM 843 O GLY A 53 -3.800 -12.391 -4.344 1.00 11.25 O ATOM 0 H GLY A 53 -0.339 -11.213 -2.977 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.012 -10.322 -5.241 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.280 -11.900 -5.023 1.00 11.77 H new ATOM 847 N ARG A 54 -3.311 -11.131 -2.611 1.00 8.53 N ATOM 848 CA ARG A 54 -4.605 -11.194 -2.006 1.00 9.05 C ATOM 849 C ARG A 54 -5.367 -9.950 -2.312 1.00 8.96 C ATOM 850 O ARG A 54 -4.766 -8.957 -2.721 1.00 11.60 O ATOM 851 CB ARG A 54 -4.478 -11.445 -0.494 1.00 7.97 C ATOM 852 CG ARG A 54 -3.851 -12.797 -0.149 1.00 9.62 C ATOM 853 CD ARG A 54 -4.034 -13.085 1.343 1.00 12.20 C ATOM 854 NE ARG A 54 -3.376 -14.382 1.669 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.930 -15.585 1.343 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.199 -15.701 0.852 1.00 23.38 N ATOM 857 NH2 ARG A 54 -3.186 -16.722 1.479 1.00 25.50 N ATOM 0 H ARG A 54 -2.607 -10.710 -2.005 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.163 -12.033 -2.422 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.876 -10.651 -0.052 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.467 -11.386 -0.040 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -4.315 -13.586 -0.741 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.790 -12.792 -0.401 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -3.599 -12.282 1.938 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -5.094 -13.127 1.591 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.479 -14.370 2.154 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -5.771 -14.868 0.716 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.574 -16.621 0.621 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -2.227 -16.666 1.821 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -3.590 -17.627 1.238 1.00 25.50 H new ATOM 871 N THR A 55 -6.693 -9.862 -2.107 1.00 9.05 N ATOM 872 CA THR A 55 -7.420 -8.684 -2.466 1.00 9.03 C ATOM 873 C THR A 55 -7.627 -7.976 -1.171 1.00 8.15 C ATOM 874 O THR A 55 -7.488 -8.446 -0.043 1.00 5.91 O ATOM 875 CB THR A 55 -8.730 -8.898 -3.164 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.684 -9.575 -2.359 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.511 -9.720 -4.445 1.00 11.71 C ATOM 0 H THR A 55 -7.260 -10.603 -1.695 1.00 9.05 H new ATOM 0 HA THR A 55 -6.848 -8.127 -3.208 1.00 9.03 H new ATOM 0 HB THR A 55 -9.123 -7.907 -3.391 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.304 -10.421 -2.043 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.466 -9.872 -4.947 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.833 -9.185 -5.109 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.079 -10.687 -4.187 1.00 11.71 H new ATOM 885 N LEU A 56 -8.196 -6.767 -1.320 1.00 6.91 N ATOM 886 CA LEU A 56 -8.566 -5.823 -0.312 1.00 8.29 C ATOM 887 C LEU A 56 -9.685 -6.371 0.506 1.00 8.05 C ATOM 888 O LEU A 56 -9.684 -6.291 1.733 1.00 10.17 O ATOM 889 CB LEU A 56 -8.851 -4.417 -0.864 1.00 6.60 C ATOM 890 CG LEU A 56 -7.589 -3.848 -1.534 1.00 7.73 C ATOM 891 CD1 LEU A 56 -8.153 -2.792 -2.499 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.618 -3.249 -0.502 1.00 9.85 C ATOM 0 H LEU A 56 -8.420 -6.415 -2.251 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.706 -5.679 0.342 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.668 -4.459 -1.585 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -9.172 -3.759 -0.057 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.994 -4.604 -2.047 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -7.333 -2.316 -3.037 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.824 -3.272 -3.211 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.702 -2.039 -1.934 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.739 -2.857 -1.014 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.113 -2.442 0.038 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.313 -4.023 0.202 1.00 9.85 H new ATOM 904 N SER A 57 -10.613 -7.086 -0.155 1.00 8.92 N ATOM 905 CA SER A 57 -11.714 -7.738 0.484 1.00 9.00 C ATOM 906 C SER A 57 -11.293 -8.779 1.463 1.00 9.44 C ATOM 907 O SER A 57 -11.862 -8.921 2.544 1.00 10.91 O ATOM 908 CB SER A 57 -12.639 -8.571 -0.419 1.00 10.32 C ATOM 909 OG SER A 57 -13.282 -7.623 -1.259 1.00 13.59 O ATOM 0 H SER A 57 -10.597 -7.215 -1.167 1.00 8.92 H new ATOM 0 HA SER A 57 -12.215 -6.866 0.903 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.072 -9.296 -1.003 1.00 10.32 H new ATOM 0 HB3 SER A 57 -13.364 -9.133 0.170 1.00 10.32 H new ATOM 0 HG SER A 57 -12.613 -7.172 -1.815 1.00 13.59 H new ATOM 915 N ASP A 58 -10.285 -9.577 1.069 1.00 9.11 N ATOM 916 CA ASP A 58 -9.836 -10.618 1.942 1.00 7.91 C ATOM 917 C ASP A 58 -9.448 -10.326 3.350 1.00 9.12 C ATOM 918 O ASP A 58 -9.841 -11.111 4.211 1.00 8.61 O ATOM 919 CB ASP A 58 -8.743 -11.453 1.253 1.00 8.41 C ATOM 920 CG ASP A 58 -9.275 -11.917 -0.095 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.394 -12.491 -0.177 1.00 11.70 O ATOM 922 OD2 ASP A 58 -8.617 -11.627 -1.130 1.00 10.05 O ATOM 0 H ASP A 58 -9.794 -9.508 0.177 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.769 -11.159 2.102 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.839 -10.859 1.120 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.474 -12.310 1.870 1.00 8.41 H new ATOM 927 N TYR A 59 -8.677 -9.245 3.566 1.00 7.97 N ATOM 928 CA TYR A 59 -8.446 -8.630 4.836 1.00 8.45 C ATOM 929 C TYR A 59 -9.531 -7.737 5.333 1.00 10.98 C ATOM 930 O TYR A 59 -9.512 -7.362 6.504 1.00 12.95 O ATOM 931 CB TYR A 59 -7.140 -7.825 4.724 1.00 7.94 C ATOM 932 CG TYR A 59 -5.964 -8.719 4.528 1.00 6.91 C ATOM 933 CD1 TYR A 59 -5.337 -9.228 5.641 1.00 6.98 C ATOM 934 CD2 TYR A 59 -5.444 -8.942 3.275 1.00 4.59 C ATOM 935 CE1 TYR A 59 -4.219 -10.001 5.435 1.00 6.52 C ATOM 936 CE2 TYR A 59 -4.306 -9.694 3.098 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.621 -10.137 4.204 1.00 6.76 C ATOM 938 OH TYR A 59 -2.409 -10.816 3.957 1.00 7.63 O ATOM 0 H TYR A 59 -8.186 -8.772 2.807 1.00 7.97 H new ATOM 0 HA TYR A 59 -8.399 -9.437 5.567 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -7.211 -7.127 3.889 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -7.000 -7.229 5.626 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.708 -9.029 6.636 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.938 -8.519 2.413 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -3.791 -10.525 6.277 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.956 -9.933 2.105 1.00 5.39 H new ATOM 0 HH TYR A 59 -2.577 -11.781 3.918 1.00 7.63 H new ATOM 948 N ASN A 60 -10.487 -7.291 4.498 1.00 12.38 N ATOM 949 CA ASN A 60 -11.472 -6.282 4.735 1.00 13.94 C ATOM 950 C ASN A 60 -10.826 -4.943 4.839 1.00 14.16 C ATOM 951 O ASN A 60 -10.869 -4.301 5.887 1.00 14.26 O ATOM 952 CB ASN A 60 -12.314 -6.635 5.973 1.00 19.23 C ATOM 953 CG ASN A 60 -13.093 -7.919 5.727 1.00 22.65 C ATOM 954 OD1 ASN A 60 -12.932 -8.948 6.382 1.00 25.45 O ATOM 955 ND2 ASN A 60 -14.111 -7.791 4.834 1.00 24.09 N ATOM 0 H ASN A 60 -10.576 -7.680 3.559 1.00 12.38 H new ATOM 0 HA ASN A 60 -12.158 -6.238 3.889 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -11.666 -6.754 6.841 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -13.002 -5.820 6.199 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -14.766 -8.560 4.693 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -14.220 -6.926 4.305 1.00 24.09 H new ATOM 962 N ILE A 61 -10.349 -4.424 3.693 1.00 11.08 N ATOM 963 CA ILE A 61 -9.846 -3.093 3.840 1.00 11.78 C ATOM 964 C ILE A 61 -10.758 -2.126 3.166 1.00 13.74 C ATOM 965 O ILE A 61 -11.001 -2.158 1.961 1.00 14.60 O ATOM 966 CB ILE A 61 -8.582 -2.999 3.038 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.531 -3.855 3.765 1.00 11.56 C ATOM 968 CG2 ILE A 61 -8.071 -1.552 2.933 1.00 13.29 C ATOM 969 CD1 ILE A 61 -6.207 -4.117 3.049 1.00 11.42 C ATOM 0 H ILE A 61 -10.309 -4.859 2.771 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.728 -2.880 4.902 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.769 -3.347 2.022 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.307 -3.374 4.717 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.985 -4.819 3.994 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -7.154 -1.532 2.344 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.827 -0.933 2.449 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.869 -1.164 3.931 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.567 -4.733 3.681 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.398 -4.637 2.110 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.710 -3.169 2.844 1.00 11.42 H new ATOM 981 N GLN A 62 -11.361 -1.279 4.020 1.00 13.97 N ATOM 982 CA GLN A 62 -12.406 -0.396 3.606 1.00 15.52 C ATOM 983 C GLN A 62 -12.027 1.022 3.345 1.00 13.94 C ATOM 984 O GLN A 62 -10.854 1.376 3.246 1.00 12.15 O ATOM 985 CB GLN A 62 -13.441 -0.431 4.743 1.00 19.53 C ATOM 986 CG GLN A 62 -13.934 -1.845 5.054 1.00 26.38 C ATOM 987 CD GLN A 62 -14.393 -2.635 3.837 1.00 30.61 C ATOM 988 OE1 GLN A 62 -13.799 -3.660 3.504 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.535 -2.337 3.162 1.00 32.71 N ATOM 0 H GLN A 62 -11.121 -1.206 5.009 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.760 -0.748 2.637 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -13.001 0.001 5.642 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.292 0.194 4.473 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.133 -2.395 5.548 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -14.760 -1.781 5.762 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -16.064 -1.498 3.400 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.863 -2.952 2.417 1.00 32.71 H new ATOM 998 N LYS A 63 -13.048 1.891 3.237 1.00 11.73 N ATOM 999 CA LYS A 63 -12.867 3.245 2.815 1.00 11.97 C ATOM 1000 C LYS A 63 -12.110 4.050 3.815 1.00 10.41 C ATOM 1001 O LYS A 63 -12.287 3.969 5.029 1.00 9.59 O ATOM 1002 CB LYS A 63 -14.258 3.825 2.507 1.00 13.73 C ATOM 1003 CG LYS A 63 -15.196 4.065 3.692 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.459 5.524 4.070 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.190 5.712 5.401 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.073 7.087 5.936 1.00 25.97 N ATOM 0 H LYS A 63 -14.016 1.649 3.446 1.00 11.73 H new ATOM 0 HA LYS A 63 -12.253 3.280 1.915 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -14.121 4.774 1.988 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.758 3.151 1.812 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -16.153 3.592 3.471 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.783 3.556 4.563 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.506 6.052 4.115 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.045 5.991 3.279 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.244 5.468 5.268 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.790 5.009 6.131 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.260 7.078 6.959 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -15.113 7.447 5.762 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.764 7.704 5.463 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.157 4.902 3.399 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.432 5.754 4.291 1.00 10.94 C ATOM 1022 C GLU A 64 -9.411 5.132 5.181 1.00 9.74 C ATOM 1023 O GLU A 64 -8.994 5.809 6.120 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.333 6.857 4.870 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.018 7.731 3.817 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.137 8.610 4.357 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -13.596 8.315 5.492 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -13.678 9.442 3.580 1.00 32.61 O ATOM 0 H GLU A 64 -10.883 5.002 2.421 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.707 6.279 3.668 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.098 6.394 5.494 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.734 7.495 5.520 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.268 8.367 3.347 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.423 7.087 3.037 1.00 24.16 H new ATOM 1035 N SER A 65 -9.063 3.861 4.913 1.00 6.85 N ATOM 1036 CA SER A 65 -8.331 3.097 5.876 1.00 6.90 C ATOM 1037 C SER A 65 -6.877 3.360 5.689 1.00 4.72 C ATOM 1038 O SER A 65 -6.336 3.372 4.584 1.00 3.91 O ATOM 1039 CB SER A 65 -8.637 1.591 5.834 1.00 7.28 C ATOM 1040 OG SER A 65 -8.200 1.019 7.058 1.00 10.56 O ATOM 0 H SER A 65 -9.283 3.369 4.047 1.00 6.85 H new ATOM 0 HA SER A 65 -8.650 3.420 6.867 1.00 6.90 H new ATOM 0 HB2 SER A 65 -9.705 1.423 5.695 1.00 7.28 H new ATOM 0 HB3 SER A 65 -8.128 1.122 4.992 1.00 7.28 H new ATOM 0 HG SER A 65 -8.387 0.057 7.055 1.00 10.56 H new ATOM 1046 N THR A 66 -6.213 3.518 6.848 1.00 4.48 N ATOM 1047 CA THR A 66 -4.816 3.824 6.882 1.00 3.80 C ATOM 1048 C THR A 66 -3.971 2.597 6.844 1.00 4.60 C ATOM 1049 O THR A 66 -4.001 1.742 7.728 1.00 5.33 O ATOM 1050 CB THR A 66 -4.456 4.621 8.101 1.00 2.85 C ATOM 1051 OG1 THR A 66 -5.385 5.693 8.170 1.00 2.15 O ATOM 1052 CG2 THR A 66 -3.032 5.181 7.949 1.00 3.40 C ATOM 0 H THR A 66 -6.647 3.433 7.767 1.00 4.48 H new ATOM 0 HA THR A 66 -4.617 4.416 5.989 1.00 3.80 H new ATOM 0 HB THR A 66 -4.489 4.008 9.001 1.00 2.85 H new ATOM 0 HG1 THR A 66 -5.190 6.245 8.956 1.00 2.15 H new ATOM 0 HG21 THR A 66 -2.772 5.760 8.835 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.327 4.357 7.834 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.986 5.824 7.070 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.187 2.432 5.764 1.00 4.17 N ATOM 1061 CA LEU A 67 -2.146 1.455 5.690 1.00 3.85 C ATOM 1062 C LEU A 67 -0.857 2.073 6.113 1.00 3.80 C ATOM 1063 O LEU A 67 -0.670 3.282 5.982 1.00 5.54 O ATOM 1064 CB LEU A 67 -2.005 0.841 4.287 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.241 0.041 3.843 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.920 -0.591 2.478 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.788 -1.054 4.774 1.00 8.12 C ATOM 0 H LEU A 67 -3.280 2.994 4.918 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.412 0.640 6.363 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.819 1.638 3.567 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.133 0.187 4.271 1.00 7.18 H new ATOM 0 HG LEU A 67 -4.044 0.778 3.835 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.778 -1.167 2.133 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.697 0.195 1.757 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.057 -1.249 2.576 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.659 -1.521 4.314 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -3.018 -1.807 4.941 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -4.075 -0.611 5.728 1.00 8.12 H new ATOM 1079 N HIS A 68 -0.010 1.203 6.689 1.00 2.94 N ATOM 1080 CA HIS A 68 1.316 1.489 7.143 1.00 4.17 C ATOM 1081 C HIS A 68 2.310 1.029 6.133 1.00 5.32 C ATOM 1082 O HIS A 68 2.371 -0.162 5.831 1.00 7.70 O ATOM 1083 CB HIS A 68 1.647 0.744 8.447 1.00 5.57 C ATOM 1084 CG HIS A 68 0.875 1.177 9.658 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.815 2.489 10.083 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.032 0.507 10.488 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.072 2.554 11.112 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.640 1.380 11.319 1.00 16.30 N ATOM 0 H HIS A 68 -0.271 0.230 6.849 1.00 2.94 H new ATOM 0 HA HIS A 68 1.364 2.566 7.303 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.473 -0.321 8.290 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.710 0.866 8.654 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.095 -0.565 10.496 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.283 3.446 11.683 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.408 1.165 11.955 1.00 16.30 H new ATOM 1096 N LEU A 69 2.945 2.020 5.481 1.00 5.29 N ATOM 1097 CA LEU A 69 3.952 1.743 4.505 1.00 3.97 C ATOM 1098 C LEU A 69 5.306 1.827 5.121 1.00 5.07 C ATOM 1099 O LEU A 69 5.757 2.805 5.715 1.00 4.34 O ATOM 1100 CB LEU A 69 3.769 2.697 3.313 1.00 6.08 C ATOM 1101 CG LEU A 69 4.770 2.463 2.169 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.787 1.018 1.643 1.00 9.96 C ATOM 1103 CD2 LEU A 69 4.467 3.394 0.982 1.00 6.87 C ATOM 0 H LEU A 69 2.761 3.012 5.630 1.00 5.29 H new ATOM 0 HA LEU A 69 3.852 0.725 4.129 1.00 3.97 H new ATOM 0 HB2 LEU A 69 2.756 2.588 2.925 1.00 6.08 H new ATOM 0 HB3 LEU A 69 3.867 3.724 3.664 1.00 6.08 H new ATOM 0 HG LEU A 69 5.748 2.676 2.601 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.517 0.932 0.838 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.057 0.339 2.452 1.00 9.96 H new ATOM 0 HD13 LEU A 69 3.799 0.757 1.265 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.187 3.212 0.184 1.00 6.87 H new ATOM 0 HD22 LEU A 69 3.460 3.198 0.614 1.00 6.87 H new ATOM 0 HD23 LEU A 69 4.539 4.432 1.306 1.00 6.87 H new ATOM 1115 N VAL A 70 6.009 0.680 5.105 1.00 4.29 N ATOM 1116 CA VAL A 70 7.408 0.488 5.328 1.00 6.26 C ATOM 1117 C VAL A 70 8.057 0.537 3.987 1.00 9.22 C ATOM 1118 O VAL A 70 7.739 -0.248 3.094 1.00 9.36 O ATOM 1119 CB VAL A 70 7.759 -0.796 6.019 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.216 -0.894 6.502 1.00 9.76 C ATOM 1121 CG2 VAL A 70 6.901 -1.097 7.260 1.00 8.54 C ATOM 0 H VAL A 70 5.543 -0.207 4.915 1.00 4.29 H new ATOM 0 HA VAL A 70 7.759 1.269 6.003 1.00 6.26 H new ATOM 0 HB VAL A 70 7.571 -1.516 5.223 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.374 -1.857 6.988 1.00 9.76 H new ATOM 0 HG12 VAL A 70 9.889 -0.803 5.649 1.00 9.76 H new ATOM 0 HG13 VAL A 70 9.419 -0.091 7.211 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.218 -2.042 7.701 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.023 -0.297 7.990 1.00 8.54 H new ATOM 0 HG23 VAL A 70 5.853 -1.166 6.970 1.00 8.54 H new ATOM 1131 N LEU A 71 9.130 1.339 3.873 1.00 12.71 N ATOM 1132 CA LEU A 71 10.094 1.245 2.821 1.00 16.06 C ATOM 1133 C LEU A 71 11.406 0.936 3.455 1.00 18.09 C ATOM 1134 O LEU A 71 11.673 1.503 4.514 1.00 19.26 O ATOM 1135 CB LEU A 71 10.143 2.592 2.081 1.00 17.10 C ATOM 1136 CG LEU A 71 8.782 3.176 1.667 1.00 19.37 C ATOM 1137 CD1 LEU A 71 8.883 4.564 1.012 1.00 19.57 C ATOM 1138 CD2 LEU A 71 8.184 2.235 0.608 1.00 17.51 C ATOM 0 H LEU A 71 9.334 2.083 4.540 1.00 12.71 H new ATOM 0 HA LEU A 71 9.841 0.467 2.101 1.00 16.06 H new ATOM 0 HB2 LEU A 71 10.650 3.317 2.718 1.00 17.10 H new ATOM 0 HB3 LEU A 71 10.753 2.472 1.186 1.00 17.10 H new ATOM 0 HG LEU A 71 8.181 3.272 2.571 1.00 19.37 H new ATOM 0 HD11 LEU A 71 7.886 4.914 0.746 1.00 19.57 H new ATOM 0 HD12 LEU A 71 9.339 5.264 1.712 1.00 19.57 H new ATOM 0 HD13 LEU A 71 9.496 4.498 0.113 1.00 19.57 H new ATOM 0 HD21 LEU A 71 7.214 2.617 0.288 1.00 17.51 H new ATOM 0 HD22 LEU A 71 8.854 2.181 -0.250 1.00 17.51 H new ATOM 0 HD23 LEU A 71 8.059 1.240 1.035 1.00 17.51 H new