USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0.223 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.154 X(o=0.38,f=0.062) USER MOD Set 2.1: A 7 THR OG1 : rot 96:sc= 0.69 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.616 USER MOD Single : A 1 MET CE :methyl -136:sc=-0.00801 (180deg=-0.24) USER MOD Single : A 1 MET N :NH3+ -150:sc= 2.48 (180deg=2.23) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -109:sc= 0.737 (180deg=0.332) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00304 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 138:sc= 1.25 (180deg=0.5) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0.837 (180deg=0.829) USER MOD Single : A 31 GLN : amide:sc= -0.365 K(o=-0.36,f=-0.96) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.44 K(o=-1.4,f=-3.9) USER MOD Single : A 41 GLN : amide:sc= 0.834 K(o=0.83,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0703 X(o=-0.07,f=0) USER MOD Single : A 55 THR OG1 : rot -35:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0.393 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0432 X(o=-0.043,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 140:sc= 0.239 (180deg=-0.251) USER MOD Single : A 65 SER OG : rot -101:sc= 0.153 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.172 -7.257 -5.151 1.00 9.67 N ATOM 2 CA MET A 1 11.287 -7.181 -3.645 1.00 10.38 C ATOM 3 C MET A 1 9.950 -7.632 -2.972 1.00 9.62 C ATOM 4 O MET A 1 8.913 -7.053 -3.224 1.00 9.62 O ATOM 5 CB MET A 1 11.738 -5.737 -3.217 1.00 13.77 C ATOM 6 CG MET A 1 12.105 -5.578 -1.709 1.00 16.29 C ATOM 7 SD MET A 1 12.725 -3.946 -1.268 1.00 17.17 S ATOM 8 CE MET A 1 11.095 -3.189 -1.028 1.00 16.11 C ATOM 0 H1 MET A 1 12.106 -7.460 -5.561 1.00 9.67 H new ATOM 0 H2 MET A 1 10.508 -8.014 -5.411 1.00 9.67 H new ATOM 0 H3 MET A 1 10.823 -6.349 -5.519 1.00 9.67 H new ATOM 0 HA MET A 1 12.055 -7.872 -3.296 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.601 -5.450 -3.817 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.937 -5.037 -3.456 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.222 -5.794 -1.107 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.858 -6.323 -1.449 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.079 -2.205 -1.496 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.331 -3.819 -1.482 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.894 -3.087 0.039 1.00 16.11 H new ATOM 20 N GLN A 2 9.900 -8.724 -2.215 1.00 9.27 N ATOM 21 CA GLN A 2 8.722 -9.216 -1.518 1.00 9.07 C ATOM 22 C GLN A 2 8.333 -8.267 -0.443 1.00 8.72 C ATOM 23 O GLN A 2 9.168 -7.649 0.220 1.00 8.22 O ATOM 24 CB GLN A 2 8.930 -10.695 -1.132 1.00 14.46 C ATOM 25 CG GLN A 2 7.769 -11.490 -0.532 1.00 17.01 C ATOM 26 CD GLN A 2 8.284 -12.881 -0.111 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.071 -13.065 0.836 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.763 -13.954 -0.820 1.00 19.49 N ATOM 0 H GLN A 2 10.718 -9.315 -2.066 1.00 9.27 H new ATOM 0 HA GLN A 2 7.839 -9.240 -2.157 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.258 -11.223 -2.028 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.754 -10.733 -0.420 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.356 -10.964 0.329 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.964 -11.590 -1.260 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.119 -13.790 -1.594 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.024 -14.907 -0.567 1.00 19.49 H new ATOM 37 N ILE A 3 7.029 -8.004 -0.311 1.00 5.87 N ATOM 38 CA ILE A 3 6.474 -7.195 0.782 1.00 5.07 C ATOM 39 C ILE A 3 5.223 -7.919 1.158 1.00 4.01 C ATOM 40 O ILE A 3 4.740 -8.732 0.433 1.00 4.61 O ATOM 41 CB ILE A 3 6.145 -5.690 0.411 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.153 -5.530 -0.780 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.493 -4.928 0.138 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.816 -4.040 -0.940 1.00 10.83 C ATOM 0 H ILE A 3 6.324 -8.348 -0.963 1.00 5.87 H new ATOM 0 HA ILE A 3 7.209 -7.101 1.582 1.00 5.07 H new ATOM 0 HB ILE A 3 5.626 -5.251 1.263 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.597 -5.918 -1.697 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.246 -6.106 -0.597 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.279 -3.890 -0.119 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.116 -4.960 1.032 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.020 -5.405 -0.689 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.122 -3.911 -1.770 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.357 -3.670 -0.023 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.729 -3.480 -1.140 1.00 10.83 H new ATOM 56 N PHE A 4 4.650 -7.452 2.290 1.00 4.55 N ATOM 57 CA PHE A 4 3.411 -7.959 2.842 1.00 4.68 C ATOM 58 C PHE A 4 2.449 -6.772 2.991 1.00 5.30 C ATOM 59 O PHE A 4 2.882 -5.690 3.308 1.00 5.58 O ATOM 60 CB PHE A 4 3.489 -8.639 4.194 1.00 4.83 C ATOM 61 CG PHE A 4 4.174 -9.941 4.208 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.680 -10.914 3.331 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.314 -10.191 4.969 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.426 -12.042 3.010 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.085 -11.352 4.687 1.00 10.61 C ATOM 66 CZ PHE A 4 5.736 -12.231 3.664 1.00 8.90 C ATOM 0 H PHE A 4 5.058 -6.698 2.843 1.00 4.55 H new ATOM 0 HA PHE A 4 3.089 -8.733 2.145 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.000 -7.972 4.888 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.476 -8.777 4.571 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.700 -10.786 2.895 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.607 -9.515 5.759 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.055 -12.764 2.298 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.963 -11.558 5.281 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.402 -13.025 3.359 1.00 8.90 H new ATOM 76 N VAL A 5 1.165 -7.044 2.768 1.00 4.44 N ATOM 77 CA VAL A 5 0.140 -6.052 2.930 1.00 3.87 C ATOM 78 C VAL A 5 -0.943 -6.652 3.732 1.00 4.93 C ATOM 79 O VAL A 5 -1.358 -7.791 3.511 1.00 6.84 O ATOM 80 CB VAL A 5 -0.533 -5.542 1.631 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.588 -4.417 1.972 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.582 -5.131 0.661 1.00 9.13 C ATOM 0 H VAL A 5 0.821 -7.958 2.472 1.00 4.44 H new ATOM 0 HA VAL A 5 0.645 -5.199 3.383 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.118 -6.314 1.131 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.055 -4.065 1.052 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.352 -4.824 2.635 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.086 -3.585 2.465 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.141 -4.766 -0.267 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.184 -4.342 1.112 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.215 -5.993 0.448 1.00 9.13 H new ATOM 92 N LYS A 6 -1.419 -5.912 4.714 1.00 6.04 N ATOM 93 CA LYS A 6 -2.561 -6.401 5.535 1.00 6.12 C ATOM 94 C LYS A 6 -3.548 -5.360 6.065 1.00 6.57 C ATOM 95 O LYS A 6 -3.245 -4.133 6.087 1.00 5.76 O ATOM 96 CB LYS A 6 -2.128 -7.365 6.666 1.00 7.45 C ATOM 97 CG LYS A 6 -1.507 -6.678 7.920 1.00 11.12 C ATOM 98 CD LYS A 6 -0.850 -7.711 8.946 1.00 14.54 C ATOM 99 CE LYS A 6 -1.800 -8.624 9.715 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.083 -9.432 10.665 1.00 20.55 N ATOM 0 H LYS A 6 -1.061 -4.993 4.975 1.00 6.04 H new ATOM 0 HA LYS A 6 -3.132 -6.951 4.787 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.996 -7.944 6.981 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.403 -8.072 6.262 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.748 -5.965 7.597 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.281 -6.108 8.434 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.151 -8.338 8.393 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.266 -7.143 9.670 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.547 -8.023 10.234 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.337 -9.267 9.017 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.752 -10.044 11.175 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.387 -10.021 10.165 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.591 -8.816 11.343 1.00 20.55 H new ATOM 114 N THR A 7 -4.799 -5.743 6.574 1.00 7.41 N ATOM 115 CA THR A 7 -5.888 -4.920 7.003 1.00 7.48 C ATOM 116 C THR A 7 -5.977 -5.232 8.504 1.00 8.75 C ATOM 117 O THR A 7 -5.534 -6.215 9.071 1.00 8.58 O ATOM 118 CB THR A 7 -7.256 -5.132 6.299 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.606 -6.506 6.283 1.00 11.78 O ATOM 120 CG2 THR A 7 -7.221 -4.746 4.776 1.00 9.17 C ATOM 0 H THR A 7 -5.028 -6.732 6.678 1.00 7.41 H new ATOM 0 HA THR A 7 -5.686 -3.880 6.748 1.00 7.48 H new ATOM 0 HB THR A 7 -7.953 -4.509 6.859 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.194 -6.703 7.042 1.00 11.78 H new ATOM 0 HG21 THR A 7 -8.204 -4.914 4.335 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.953 -3.695 4.673 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.483 -5.361 4.262 1.00 9.17 H new ATOM 128 N LEU A 8 -6.710 -4.294 9.269 1.00 9.84 N ATOM 129 CA LEU A 8 -6.909 -4.416 10.684 1.00 14.15 C ATOM 130 C LEU A 8 -7.626 -5.661 11.210 1.00 17.37 C ATOM 131 O LEU A 8 -7.444 -6.113 12.348 1.00 17.01 O ATOM 132 CB LEU A 8 -7.458 -3.108 11.336 1.00 16.63 C ATOM 133 CG LEU A 8 -7.345 -3.026 12.889 1.00 18.88 C ATOM 134 CD1 LEU A 8 -5.835 -3.203 13.287 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.809 -1.627 13.477 1.00 18.59 C ATOM 0 H LEU A 8 -7.147 -3.466 8.865 1.00 9.84 H new ATOM 0 HA LEU A 8 -5.886 -4.580 11.022 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -6.926 -2.259 10.906 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.507 -2.999 11.060 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.992 -3.804 13.293 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -5.736 -3.148 14.371 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -5.478 -4.172 12.938 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -5.243 -2.411 12.828 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.706 -1.636 14.562 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.189 -0.833 13.060 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.852 -1.449 13.213 1.00 18.59 H new ATOM 147 N THR A 9 -8.502 -6.261 10.402 1.00 18.33 N ATOM 148 CA THR A 9 -9.071 -7.617 10.437 1.00 19.24 C ATOM 149 C THR A 9 -8.023 -8.743 10.393 1.00 19.48 C ATOM 150 O THR A 9 -8.348 -9.866 10.721 1.00 23.14 O ATOM 151 CB THR A 9 -10.004 -7.967 9.253 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.230 -7.957 8.104 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.065 -6.864 9.180 1.00 19.70 C ATOM 0 H THR A 9 -8.878 -5.745 9.607 1.00 18.33 H new ATOM 0 HA THR A 9 -9.609 -7.575 11.384 1.00 19.24 H new ATOM 0 HB THR A 9 -10.483 -8.940 9.367 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.790 -8.177 7.330 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.748 -7.070 8.356 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.624 -6.834 10.115 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.579 -5.902 9.017 1.00 19.70 H new ATOM 161 N GLY A 10 -6.794 -8.493 10.006 1.00 19.43 N ATOM 162 CA GLY A 10 -5.729 -9.509 10.077 1.00 18.74 C ATOM 163 C GLY A 10 -5.418 -10.074 8.693 1.00 17.62 C ATOM 164 O GLY A 10 -4.465 -10.852 8.483 1.00 19.74 O ATOM 0 H GLY A 10 -6.489 -7.593 9.634 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.829 -9.068 10.504 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.035 -10.316 10.743 1.00 18.74 H new ATOM 168 N LYS A 11 -6.278 -9.757 7.674 1.00 13.56 N ATOM 169 CA LYS A 11 -6.075 -10.319 6.341 1.00 11.91 C ATOM 170 C LYS A 11 -4.798 -9.899 5.616 1.00 10.18 C ATOM 171 O LYS A 11 -4.617 -8.827 5.158 1.00 9.10 O ATOM 172 CB LYS A 11 -7.364 -10.177 5.503 1.00 13.43 C ATOM 173 CG LYS A 11 -7.313 -10.966 4.219 1.00 16.69 C ATOM 174 CD LYS A 11 -8.377 -10.534 3.172 1.00 17.92 C ATOM 175 CE LYS A 11 -8.301 -11.406 1.902 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.364 -11.247 0.876 1.00 21.93 N ATOM 0 H LYS A 11 -7.083 -9.137 7.765 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.880 -11.381 6.489 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.216 -10.510 6.096 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.528 -9.125 5.272 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.321 -10.862 3.779 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.451 -12.023 4.448 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.372 -10.611 3.609 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.225 -9.488 2.907 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.342 -11.211 1.421 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.294 -12.450 2.215 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.975 -12.088 0.876 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.934 -10.405 1.094 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.928 -11.136 -0.062 1.00 21.93 H new ATOM 190 N THR A 12 -3.914 -10.951 5.335 1.00 9.63 N ATOM 191 CA THR A 12 -2.579 -10.560 4.817 1.00 9.85 C ATOM 192 C THR A 12 -2.421 -11.109 3.423 1.00 11.66 C ATOM 193 O THR A 12 -2.993 -12.195 3.121 1.00 12.33 O ATOM 194 CB THR A 12 -1.379 -11.065 5.673 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.531 -10.605 7.002 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.051 -10.441 5.178 1.00 9.63 C ATOM 0 H THR A 12 -4.094 -11.948 5.450 1.00 9.63 H new ATOM 0 HA THR A 12 -2.551 -9.471 4.848 1.00 9.85 H new ATOM 0 HB THR A 12 -1.358 -12.152 5.600 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.779 -10.921 7.546 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.773 -10.807 5.790 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.117 -10.720 4.138 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.107 -9.355 5.257 1.00 9.63 H new ATOM 204 N ILE A 13 -1.777 -10.406 2.525 1.00 10.42 N ATOM 205 CA ILE A 13 -1.563 -10.704 1.156 1.00 11.84 C ATOM 206 C ILE A 13 -0.076 -10.468 0.816 1.00 10.55 C ATOM 207 O ILE A 13 0.610 -9.800 1.592 1.00 11.92 O ATOM 208 CB ILE A 13 -2.487 -10.075 0.132 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.317 -8.572 0.145 1.00 14.87 C ATOM 210 CG2 ILE A 13 -4.007 -10.514 0.405 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.327 -7.901 -0.801 1.00 16.46 C ATOM 0 H ILE A 13 -1.348 -9.516 2.778 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.837 -11.755 1.061 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.225 -10.431 -0.864 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.454 -8.195 1.158 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.302 -8.313 -0.157 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.658 -10.054 -0.339 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.090 -11.599 0.338 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.307 -10.188 1.401 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.187 -6.820 -0.776 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.170 -8.264 -1.817 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.341 -8.143 -0.482 1.00 16.46 H new ATOM 223 N THR A 14 0.536 -11.108 -0.148 1.00 9.39 N ATOM 224 CA THR A 14 1.919 -11.047 -0.443 1.00 9.63 C ATOM 225 C THR A 14 2.049 -10.341 -1.762 1.00 11.20 C ATOM 226 O THR A 14 1.283 -10.500 -2.693 1.00 11.63 O ATOM 227 CB THR A 14 2.579 -12.380 -0.601 1.00 10.38 C ATOM 228 OG1 THR A 14 2.339 -13.213 0.544 1.00 16.30 O ATOM 229 CG2 THR A 14 4.090 -12.097 -0.722 1.00 11.66 C ATOM 0 H THR A 14 0.032 -11.726 -0.784 1.00 9.39 H new ATOM 0 HA THR A 14 2.404 -10.546 0.395 1.00 9.63 H new ATOM 0 HB THR A 14 2.186 -12.903 -1.473 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.779 -14.079 0.416 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.628 -13.038 -0.840 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.273 -11.463 -1.589 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.438 -11.590 0.178 1.00 11.66 H new ATOM 237 N LEU A 15 3.000 -9.347 -1.771 1.00 8.29 N ATOM 238 CA LEU A 15 3.100 -8.478 -2.930 1.00 9.03 C ATOM 239 C LEU A 15 4.558 -8.506 -3.476 1.00 8.59 C ATOM 240 O LEU A 15 5.466 -8.880 -2.741 1.00 7.79 O ATOM 241 CB LEU A 15 2.685 -7.020 -2.656 1.00 11.08 C ATOM 242 CG LEU A 15 1.416 -6.562 -3.277 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.191 -7.205 -2.613 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.355 -5.066 -3.167 1.00 15.27 C ATOM 0 H LEU A 15 3.661 -9.157 -1.018 1.00 8.29 H new ATOM 0 HA LEU A 15 2.396 -8.866 -3.666 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.604 -6.886 -1.577 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.487 -6.367 -2.999 1.00 11.08 H new ATOM 0 HG LEU A 15 1.398 -6.867 -4.323 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.717 -6.844 -3.097 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.249 -8.289 -2.714 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.169 -6.940 -1.556 1.00 15.88 H new ATOM 0 HD21 LEU A 15 0.430 -4.705 -3.617 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.384 -4.777 -2.116 1.00 15.27 H new ATOM 0 HD23 LEU A 15 2.207 -4.628 -3.687 1.00 15.27 H new ATOM 256 N GLU A 16 4.774 -8.048 -4.667 1.00 11.04 N ATOM 257 CA GLU A 16 6.072 -7.897 -5.279 1.00 11.50 C ATOM 258 C GLU A 16 6.166 -6.483 -5.811 1.00 10.13 C ATOM 259 O GLU A 16 5.333 -5.979 -6.599 1.00 9.83 O ATOM 260 CB GLU A 16 6.282 -8.865 -6.451 1.00 17.22 C ATOM 261 CG GLU A 16 7.750 -9.119 -6.852 1.00 23.33 C ATOM 262 CD GLU A 16 8.610 -9.965 -5.934 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.195 -11.062 -5.559 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.843 -9.652 -5.667 1.00 28.86 O ATOM 0 H GLU A 16 4.014 -7.751 -5.279 1.00 11.04 H new ATOM 0 HA GLU A 16 6.833 -8.113 -4.529 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.823 -9.820 -6.196 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.749 -8.477 -7.319 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.749 -9.590 -7.835 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.237 -8.150 -6.964 1.00 23.33 H new ATOM 271 N VAL A 17 7.233 -5.774 -5.350 1.00 8.99 N ATOM 272 CA VAL A 17 7.581 -4.375 -5.711 1.00 8.85 C ATOM 273 C VAL A 17 9.032 -4.144 -5.922 1.00 8.04 C ATOM 274 O VAL A 17 9.896 -4.964 -5.671 1.00 8.99 O ATOM 275 CB VAL A 17 7.235 -3.449 -4.578 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.695 -3.464 -4.273 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.947 -3.854 -3.267 1.00 10.54 C ATOM 0 H VAL A 17 7.898 -6.179 -4.692 1.00 8.99 H new ATOM 0 HA VAL A 17 7.028 -4.192 -6.632 1.00 8.85 H new ATOM 0 HB VAL A 17 7.559 -2.459 -4.900 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.481 -2.784 -3.449 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.146 -3.145 -5.159 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.388 -4.473 -3.999 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.670 -3.160 -2.473 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.647 -4.864 -2.987 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.026 -3.824 -3.415 1.00 10.54 H new ATOM 287 N GLU A 18 9.323 -2.969 -6.483 1.00 7.29 N ATOM 288 CA GLU A 18 10.627 -2.344 -6.706 1.00 7.08 C ATOM 289 C GLU A 18 10.662 -1.176 -5.687 1.00 6.45 C ATOM 290 O GLU A 18 9.642 -0.583 -5.469 1.00 5.28 O ATOM 291 CB GLU A 18 10.880 -1.884 -8.174 1.00 10.28 C ATOM 292 CG GLU A 18 11.052 -2.950 -9.257 1.00 12.65 C ATOM 293 CD GLU A 18 12.255 -3.872 -9.054 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.410 -3.400 -9.289 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.101 -5.036 -8.602 1.00 14.33 O ATOM 0 H GLU A 18 8.573 -2.370 -6.828 1.00 7.29 H new ATOM 0 HA GLU A 18 11.438 -3.057 -6.555 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.048 -1.245 -8.468 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.776 -1.263 -8.176 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.148 -3.557 -9.298 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.148 -2.456 -10.224 1.00 12.65 H new ATOM 302 N PRO A 19 11.775 -0.766 -4.992 1.00 7.24 N ATOM 303 CA PRO A 19 11.930 0.486 -4.319 1.00 7.07 C ATOM 304 C PRO A 19 11.492 1.808 -5.012 1.00 6.65 C ATOM 305 O PRO A 19 11.021 2.785 -4.406 1.00 6.37 O ATOM 306 CB PRO A 19 13.463 0.495 -3.918 1.00 7.61 C ATOM 307 CG PRO A 19 13.862 -0.967 -3.859 1.00 8.16 C ATOM 308 CD PRO A 19 12.991 -1.575 -4.927 1.00 7.49 C ATOM 0 HA PRO A 19 11.214 0.511 -3.497 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.060 1.038 -4.651 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.617 0.985 -2.957 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.922 -1.109 -4.068 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.669 -1.403 -2.879 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.504 -1.579 -5.889 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.753 -2.612 -4.688 1.00 7.49 H new ATOM 316 N SER A 20 11.547 1.841 -6.371 1.00 6.80 N ATOM 317 CA SER A 20 11.043 2.869 -7.316 1.00 6.28 C ATOM 318 C SER A 20 9.505 2.793 -7.644 1.00 8.45 C ATOM 319 O SER A 20 8.994 3.646 -8.369 1.00 7.26 O ATOM 320 CB SER A 20 11.739 2.971 -8.709 1.00 8.57 C ATOM 321 OG SER A 20 11.627 1.784 -9.484 1.00 11.13 O ATOM 0 H SER A 20 11.988 1.074 -6.879 1.00 6.80 H new ATOM 0 HA SER A 20 11.291 3.744 -6.715 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.303 3.801 -9.265 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.794 3.203 -8.564 1.00 8.57 H new ATOM 0 HG SER A 20 12.080 1.911 -10.344 1.00 11.13 H new ATOM 327 N ASP A 21 8.742 1.832 -7.161 1.00 7.50 N ATOM 328 CA ASP A 21 7.329 1.937 -7.222 1.00 7.70 C ATOM 329 C ASP A 21 6.718 3.055 -6.468 1.00 7.08 C ATOM 330 O ASP A 21 7.238 3.404 -5.370 1.00 8.11 O ATOM 331 CB ASP A 21 6.657 0.534 -6.855 1.00 11.00 C ATOM 332 CG ASP A 21 6.683 -0.399 -8.041 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.189 -0.080 -9.167 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.198 -1.538 -7.901 1.00 14.36 O ATOM 0 H ASP A 21 9.092 0.978 -6.726 1.00 7.50 H new ATOM 0 HA ASP A 21 7.113 2.198 -8.258 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.187 0.080 -6.018 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.628 0.692 -6.533 1.00 11.00 H new ATOM 339 N THR A 22 5.649 3.667 -7.022 1.00 5.37 N ATOM 340 CA THR A 22 4.847 4.696 -6.336 1.00 6.01 C ATOM 341 C THR A 22 3.745 4.026 -5.508 1.00 8.01 C ATOM 342 O THR A 22 3.299 2.879 -5.745 1.00 8.11 O ATOM 343 CB THR A 22 4.201 5.763 -7.191 1.00 8.92 C ATOM 344 OG1 THR A 22 3.541 5.125 -8.299 1.00 10.22 O ATOM 345 CG2 THR A 22 5.171 6.786 -7.718 1.00 9.65 C ATOM 0 H THR A 22 5.318 3.458 -7.964 1.00 5.37 H new ATOM 0 HA THR A 22 5.586 5.224 -5.734 1.00 6.01 H new ATOM 0 HB THR A 22 3.498 6.301 -6.555 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.116 5.805 -8.862 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.635 7.518 -8.322 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.657 7.290 -6.883 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.924 6.291 -8.331 1.00 9.65 H new ATOM 353 N ILE A 23 3.202 4.670 -4.433 1.00 8.32 N ATOM 354 CA ILE A 23 1.989 4.211 -3.807 1.00 9.92 C ATOM 355 C ILE A 23 0.859 4.017 -4.804 1.00 10.01 C ATOM 356 O ILE A 23 0.144 3.032 -4.680 1.00 8.71 O ATOM 357 CB ILE A 23 1.527 5.258 -2.678 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.235 5.073 -1.340 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.020 5.080 -2.424 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.762 5.432 -1.430 1.00 12.30 C ATOM 0 H ILE A 23 3.606 5.503 -4.006 1.00 8.32 H new ATOM 0 HA ILE A 23 2.206 3.241 -3.360 1.00 9.92 H new ATOM 0 HB ILE A 23 1.781 6.248 -3.057 1.00 10.78 H new ATOM 0 HG12 ILE A 23 1.758 5.701 -0.587 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.124 4.040 -1.010 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.306 5.785 -1.659 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.529 5.266 -3.347 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.174 4.062 -2.085 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.228 5.286 -0.455 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.245 4.786 -2.163 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.874 6.473 -1.734 1.00 12.30 H new ATOM 372 N GLU A 24 0.750 4.869 -5.811 1.00 9.54 N ATOM 373 CA GLU A 24 -0.194 4.686 -6.852 1.00 11.81 C ATOM 374 C GLU A 24 -0.062 3.349 -7.564 1.00 11.14 C ATOM 375 O GLU A 24 -1.083 2.657 -7.770 1.00 10.62 O ATOM 376 CB GLU A 24 0.006 5.855 -7.856 1.00 19.24 C ATOM 377 CG GLU A 24 -0.711 5.755 -9.188 1.00 27.76 C ATOM 378 CD GLU A 24 -0.618 6.872 -10.196 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.324 7.872 -9.933 1.00 34.80 O ATOM 380 OE2 GLU A 24 0.054 6.783 -11.247 1.00 36.51 O ATOM 0 H GLU A 24 1.326 5.705 -5.911 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.195 4.684 -6.421 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.313 6.777 -7.369 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.074 5.952 -8.054 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.353 4.850 -9.678 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.769 5.604 -8.973 1.00 27.76 H new ATOM 387 N ASN A 25 1.173 2.926 -7.915 1.00 9.43 N ATOM 388 CA ASN A 25 1.487 1.599 -8.388 1.00 10.96 C ATOM 389 C ASN A 25 1.238 0.397 -7.417 1.00 9.68 C ATOM 390 O ASN A 25 0.812 -0.709 -7.827 1.00 9.33 O ATOM 391 CB ASN A 25 2.957 1.490 -9.010 1.00 16.78 C ATOM 392 CG ASN A 25 3.099 1.939 -10.446 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.729 1.138 -11.304 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.666 3.129 -10.697 1.00 24.70 N ATOM 0 H ASN A 25 1.991 3.534 -7.868 1.00 9.43 H new ATOM 0 HA ASN A 25 0.733 1.483 -9.166 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.636 2.081 -8.395 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.285 0.453 -8.939 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.819 3.428 -11.660 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.944 3.734 -9.925 1.00 24.70 H new ATOM 401 N VAL A 26 1.480 0.631 -6.105 1.00 6.52 N ATOM 402 CA VAL A 26 1.248 -0.395 -5.061 1.00 5.53 C ATOM 403 C VAL A 26 -0.203 -0.668 -4.903 1.00 4.42 C ATOM 404 O VAL A 26 -0.563 -1.822 -4.760 1.00 3.40 O ATOM 405 CB VAL A 26 1.849 -0.052 -3.716 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.444 -1.109 -2.680 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.388 -0.051 -3.994 1.00 8.12 C ATOM 0 H VAL A 26 1.834 1.518 -5.746 1.00 6.52 H new ATOM 0 HA VAL A 26 1.762 -1.288 -5.415 1.00 5.53 H new ATOM 0 HB VAL A 26 1.513 0.901 -3.308 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.880 -0.857 -1.713 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.358 -1.135 -2.593 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.806 -2.087 -2.997 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.924 0.189 -3.075 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.695 -1.036 -4.346 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.620 0.695 -4.754 1.00 8.12 H new ATOM 417 N LYS A 27 -1.026 0.370 -4.947 1.00 2.64 N ATOM 418 CA LYS A 27 -2.425 0.256 -5.011 1.00 4.14 C ATOM 419 C LYS A 27 -2.914 -0.469 -6.254 1.00 5.58 C ATOM 420 O LYS A 27 -3.914 -1.181 -6.105 1.00 4.11 O ATOM 421 CB LYS A 27 -3.095 1.685 -4.874 1.00 3.97 C ATOM 422 CG LYS A 27 -2.855 2.319 -3.475 1.00 7.45 C ATOM 423 CD LYS A 27 -3.525 3.682 -3.307 1.00 9.02 C ATOM 424 CE LYS A 27 -3.318 4.695 -4.477 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.924 5.997 -4.226 1.00 15.47 N ATOM 0 H LYS A 27 -0.699 1.336 -4.937 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.733 -0.365 -4.170 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.696 2.346 -5.643 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.167 1.600 -5.052 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.228 1.641 -2.708 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.783 2.426 -3.311 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.595 3.525 -3.174 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.153 4.137 -2.389 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.250 4.826 -4.650 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.740 4.276 -5.390 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.275 6.748 -4.537 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.818 6.071 -4.753 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.112 6.102 -3.209 1.00 15.47 H new ATOM 439 N ALA A 28 -2.287 -0.441 -7.439 1.00 6.61 N ATOM 440 CA ALA A 28 -2.733 -1.194 -8.638 1.00 7.74 C ATOM 441 C ALA A 28 -2.599 -2.641 -8.431 1.00 9.17 C ATOM 442 O ALA A 28 -3.466 -3.489 -8.702 1.00 11.45 O ATOM 443 CB ALA A 28 -1.992 -0.622 -9.840 1.00 7.68 C ATOM 0 H ALA A 28 -1.444 0.110 -7.602 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.798 -1.069 -8.832 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.296 -1.154 -10.742 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.231 0.436 -9.945 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.918 -0.739 -9.695 1.00 7.68 H new ATOM 449 N LYS A 29 -1.471 -3.021 -7.787 1.00 8.96 N ATOM 450 CA LYS A 29 -1.152 -4.418 -7.351 1.00 7.90 C ATOM 451 C LYS A 29 -2.049 -4.979 -6.222 1.00 6.92 C ATOM 452 O LYS A 29 -2.502 -6.112 -6.316 1.00 6.87 O ATOM 453 CB LYS A 29 0.329 -4.468 -6.792 1.00 10.28 C ATOM 454 CG LYS A 29 1.442 -4.087 -7.775 1.00 14.94 C ATOM 455 CD LYS A 29 2.821 -3.897 -7.026 1.00 19.69 C ATOM 456 CE LYS A 29 3.941 -3.472 -8.033 1.00 22.63 C ATOM 457 NZ LYS A 29 4.333 -4.616 -8.883 1.00 24.98 N ATOM 0 H LYS A 29 -0.735 -2.357 -7.547 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.312 -5.024 -8.242 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.392 -3.803 -5.931 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.524 -5.478 -6.430 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.541 -4.862 -8.535 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.175 -3.165 -8.292 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.717 -3.140 -6.248 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.103 -4.826 -6.531 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.585 -2.652 -8.657 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.809 -3.103 -7.487 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.053 -4.309 -9.568 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.723 -5.374 -8.287 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.499 -4.972 -9.393 1.00 24.98 H new ATOM 471 N ILE A 30 -2.474 -4.072 -5.296 1.00 4.57 N ATOM 472 CA ILE A 30 -3.465 -4.392 -4.341 1.00 5.58 C ATOM 473 C ILE A 30 -4.896 -4.519 -4.960 1.00 7.26 C ATOM 474 O ILE A 30 -5.604 -5.516 -4.739 1.00 9.46 O ATOM 475 CB ILE A 30 -3.385 -3.412 -3.114 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.020 -3.498 -2.414 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.433 -3.674 -2.051 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.736 -2.384 -1.350 1.00 2.00 C ATOM 0 H ILE A 30 -2.116 -3.119 -5.227 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.254 -5.392 -3.962 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.554 -2.427 -3.549 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.942 -4.470 -1.927 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.239 -3.458 -3.173 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.313 -2.958 -1.238 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.427 -3.567 -2.486 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.314 -4.686 -1.664 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.747 -2.538 -0.917 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.774 -1.405 -1.829 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.488 -2.433 -0.563 1.00 2.00 H new ATOM 490 N GLN A 31 -5.244 -3.663 -5.940 1.00 7.06 N ATOM 491 CA GLN A 31 -6.413 -3.775 -6.792 1.00 8.67 C ATOM 492 C GLN A 31 -6.515 -5.016 -7.572 1.00 10.90 C ATOM 493 O GLN A 31 -7.479 -5.734 -7.642 1.00 9.63 O ATOM 494 CB GLN A 31 -6.592 -2.560 -7.745 1.00 9.12 C ATOM 495 CG GLN A 31 -7.899 -2.465 -8.488 1.00 10.76 C ATOM 496 CD GLN A 31 -7.945 -1.360 -9.541 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.932 -0.610 -9.610 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.938 -1.353 -10.469 1.00 14.76 N ATOM 0 H GLN A 31 -4.682 -2.840 -6.158 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.225 -3.794 -6.065 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.467 -1.649 -7.160 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.786 -2.582 -8.478 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.098 -3.421 -8.973 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.701 -2.299 -7.769 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.147 -1.989 -10.368 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.979 -0.712 -11.261 1.00 14.76 H new ATOM 507 N ASP A 32 -5.390 -5.410 -8.264 1.00 10.93 N ATOM 508 CA ASP A 32 -5.354 -6.681 -8.974 1.00 14.01 C ATOM 509 C ASP A 32 -5.426 -7.913 -8.086 1.00 14.04 C ATOM 510 O ASP A 32 -6.130 -8.868 -8.435 1.00 13.39 O ATOM 511 CB ASP A 32 -3.907 -6.690 -9.666 1.00 18.01 C ATOM 512 CG ASP A 32 -3.597 -7.821 -10.567 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.131 -7.922 -11.666 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.701 -8.601 -10.237 1.00 26.29 O ATOM 0 H ASP A 32 -4.533 -4.861 -8.327 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.216 -6.740 -9.639 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.798 -5.766 -10.234 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.155 -6.670 -8.877 1.00 18.01 H new ATOM 519 N LYS A 33 -4.698 -7.879 -6.978 1.00 14.22 N ATOM 520 CA LYS A 33 -4.621 -8.929 -6.009 1.00 14.00 C ATOM 521 C LYS A 33 -5.924 -9.149 -5.169 1.00 12.37 C ATOM 522 O LYS A 33 -6.435 -10.270 -5.007 1.00 12.17 O ATOM 523 CB LYS A 33 -3.437 -8.729 -4.997 1.00 18.62 C ATOM 524 CG LYS A 33 -2.947 -9.912 -4.176 1.00 24.00 C ATOM 525 CD LYS A 33 -2.580 -11.188 -5.009 1.00 27.61 C ATOM 526 CE LYS A 33 -1.427 -11.033 -6.065 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.231 -12.280 -6.741 1.00 30.06 N ATOM 0 H LYS A 33 -4.123 -7.073 -6.732 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.459 -9.813 -6.627 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.586 -8.348 -5.561 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.733 -7.946 -4.298 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.070 -9.603 -3.608 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.718 -10.178 -3.453 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.301 -11.980 -4.314 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.476 -11.523 -5.531 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.679 -10.253 -6.783 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.505 -10.726 -5.571 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.468 -12.179 -7.441 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.973 -13.013 -6.050 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.110 -12.555 -7.224 1.00 30.06 H new ATOM 541 N GLU A 34 -6.530 -8.052 -4.722 1.00 10.11 N ATOM 542 CA GLU A 34 -7.735 -8.172 -3.916 1.00 10.07 C ATOM 543 C GLU A 34 -9.014 -7.505 -4.488 1.00 9.32 C ATOM 544 O GLU A 34 -10.038 -7.642 -3.812 1.00 11.61 O ATOM 545 CB GLU A 34 -7.464 -7.387 -2.613 1.00 14.77 C ATOM 546 CG GLU A 34 -6.748 -8.059 -1.524 1.00 18.75 C ATOM 547 CD GLU A 34 -7.720 -9.056 -0.844 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.966 -10.188 -1.355 1.00 25.19 O ATOM 549 OE2 GLU A 34 -8.276 -8.712 0.206 1.00 21.95 O ATOM 0 H GLU A 34 -6.216 -7.098 -4.899 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.923 -9.242 -3.833 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.900 -6.492 -2.877 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.425 -7.054 -2.221 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.875 -8.584 -1.911 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.386 -7.329 -0.800 1.00 18.75 H new ATOM 556 N GLY A 35 -9.029 -6.906 -5.697 1.00 7.22 N ATOM 557 CA GLY A 35 -10.296 -6.331 -6.272 1.00 6.29 C ATOM 558 C GLY A 35 -10.741 -5.068 -5.533 1.00 6.93 C ATOM 559 O GLY A 35 -11.859 -4.643 -5.671 1.00 7.41 O ATOM 0 H GLY A 35 -8.208 -6.801 -6.293 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.143 -6.099 -7.326 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.088 -7.078 -6.222 1.00 6.29 H new ATOM 563 N ILE A 36 -9.870 -4.331 -4.805 1.00 5.86 N ATOM 564 CA ILE A 36 -10.225 -3.057 -4.117 1.00 6.07 C ATOM 565 C ILE A 36 -9.706 -1.868 -4.885 1.00 6.36 C ATOM 566 O ILE A 36 -8.479 -1.768 -4.946 1.00 6.18 O ATOM 567 CB ILE A 36 -9.705 -3.045 -2.690 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.046 -4.229 -1.836 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.336 -1.824 -2.066 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.076 -4.465 -0.597 1.00 9.49 C ATOM 0 H ILE A 36 -8.895 -4.601 -4.675 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.312 -2.989 -4.080 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.616 -3.057 -2.738 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.064 -4.109 -1.464 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.038 -5.123 -2.460 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.013 -1.737 -1.029 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.030 -0.935 -2.617 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.421 -1.917 -2.101 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.404 -5.343 -0.041 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.059 -4.622 -0.956 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.100 -3.592 0.055 1.00 9.49 H new ATOM 582 N PRO A 37 -10.486 -0.976 -5.539 1.00 8.65 N ATOM 583 CA PRO A 37 -10.002 0.251 -6.224 1.00 9.18 C ATOM 584 C PRO A 37 -8.886 1.056 -5.575 1.00 9.85 C ATOM 585 O PRO A 37 -9.027 1.210 -4.352 1.00 8.51 O ATOM 586 CB PRO A 37 -11.187 1.101 -6.476 1.00 11.42 C ATOM 587 CG PRO A 37 -12.358 0.084 -6.490 1.00 9.27 C ATOM 588 CD PRO A 37 -11.928 -1.005 -5.471 1.00 8.33 C ATOM 0 HA PRO A 37 -9.506 -0.100 -7.129 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.316 1.853 -5.697 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.106 1.634 -7.423 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.297 0.554 -6.198 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.508 -0.337 -7.484 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.288 -0.780 -4.467 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.323 -1.985 -5.739 1.00 8.33 H new ATOM 596 N PRO A 38 -7.874 1.630 -6.142 1.00 8.71 N ATOM 597 CA PRO A 38 -6.845 2.490 -5.505 1.00 9.08 C ATOM 598 C PRO A 38 -7.477 3.706 -4.889 1.00 9.28 C ATOM 599 O PRO A 38 -6.750 4.280 -4.111 1.00 6.50 O ATOM 600 CB PRO A 38 -5.964 2.898 -6.741 1.00 10.31 C ATOM 601 CG PRO A 38 -6.948 2.800 -7.895 1.00 10.81 C ATOM 602 CD PRO A 38 -7.719 1.595 -7.578 1.00 12.00 C ATOM 0 HA PRO A 38 -6.293 2.002 -4.702 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.560 3.905 -6.637 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.115 2.227 -6.873 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.586 3.682 -7.956 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.437 2.710 -8.853 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.686 1.599 -8.081 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.196 0.694 -7.899 1.00 12.00 H new ATOM 610 N ASP A 39 -8.679 4.100 -5.267 1.00 11.20 N ATOM 611 CA ASP A 39 -9.328 5.279 -4.719 1.00 14.96 C ATOM 612 C ASP A 39 -10.257 4.961 -3.478 1.00 13.99 C ATOM 613 O ASP A 39 -10.800 5.823 -2.808 1.00 13.75 O ATOM 614 CB ASP A 39 -10.079 6.046 -5.810 1.00 24.16 C ATOM 615 CG ASP A 39 -9.054 6.539 -6.887 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.220 7.430 -6.551 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.189 6.083 -8.074 1.00 34.22 O ATOM 0 H ASP A 39 -9.236 3.609 -5.966 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.535 5.921 -4.335 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.830 5.405 -6.271 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.607 6.895 -5.377 1.00 24.16 H new ATOM 622 N GLN A 40 -10.370 3.679 -3.077 1.00 11.60 N ATOM 623 CA GLN A 40 -10.975 3.255 -1.844 1.00 10.76 C ATOM 624 C GLN A 40 -9.862 3.061 -0.851 1.00 8.01 C ATOM 625 O GLN A 40 -10.057 2.904 0.397 1.00 8.96 O ATOM 626 CB GLN A 40 -11.700 1.926 -1.943 1.00 11.14 C ATOM 627 CG GLN A 40 -13.030 2.047 -2.740 1.00 14.85 C ATOM 628 CD GLN A 40 -13.765 0.691 -2.810 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.291 -0.349 -2.289 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.004 0.655 -3.306 1.00 18.16 N ATOM 0 H GLN A 40 -10.024 2.900 -3.637 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.705 4.014 -1.563 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.052 1.195 -2.427 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.910 1.552 -0.941 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.674 2.789 -2.267 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.821 2.403 -3.749 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.407 1.489 -3.733 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.548 -0.207 -3.258 1.00 18.16 H new ATOM 639 N GLN A 41 -8.608 3.003 -1.310 1.00 6.52 N ATOM 640 CA GLN A 41 -7.466 2.546 -0.482 1.00 3.87 C ATOM 641 C GLN A 41 -6.631 3.698 0.151 1.00 4.79 C ATOM 642 O GLN A 41 -6.470 4.780 -0.517 1.00 6.34 O ATOM 643 CB GLN A 41 -6.530 1.753 -1.436 1.00 4.20 C ATOM 644 CG GLN A 41 -6.961 0.384 -1.879 1.00 3.20 C ATOM 645 CD GLN A 41 -5.846 -0.262 -2.731 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.643 -0.302 -2.486 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.247 -0.902 -3.860 1.00 7.13 N ATOM 0 H GLN A 41 -8.347 3.268 -2.260 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.865 1.963 0.348 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.375 2.358 -2.329 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.561 1.654 -0.946 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.176 -0.239 -1.011 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.882 0.452 -2.458 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.233 -0.907 -4.121 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.562 -1.378 -4.447 1.00 7.13 H new ATOM 656 N ARG A 42 -6.173 3.539 1.372 1.00 5.73 N ATOM 657 CA ARG A 42 -5.175 4.388 2.036 1.00 6.97 C ATOM 658 C ARG A 42 -4.035 3.479 2.472 1.00 7.15 C ATOM 659 O ARG A 42 -4.403 2.368 2.877 1.00 7.33 O ATOM 660 CB ARG A 42 -5.680 5.002 3.341 1.00 13.23 C ATOM 661 CG ARG A 42 -6.150 6.440 2.997 1.00 21.27 C ATOM 662 CD ARG A 42 -6.300 7.206 4.244 1.00 26.14 C ATOM 663 NE ARG A 42 -6.675 8.602 3.932 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.097 9.473 4.869 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.395 9.087 6.131 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.100 10.791 4.533 1.00 36.39 N ATOM 0 H ARG A 42 -6.495 2.778 1.971 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.909 5.178 1.333 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.500 4.414 3.755 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.890 5.021 4.092 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.427 6.926 2.341 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.097 6.408 2.459 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.062 6.747 4.874 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.367 7.188 4.807 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.611 8.919 2.965 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.303 8.107 6.400 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.712 9.776 6.814 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.791 11.081 3.605 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.411 11.489 5.209 1.00 36.39 H new ATOM 680 N LEU A 43 -2.745 3.835 2.261 1.00 4.65 N ATOM 681 CA LEU A 43 -1.596 2.938 2.639 1.00 3.51 C ATOM 682 C LEU A 43 -0.925 3.547 3.893 1.00 5.56 C ATOM 683 O LEU A 43 -0.419 4.662 3.899 1.00 4.19 O ATOM 684 CB LEU A 43 -0.530 2.507 1.608 1.00 3.74 C ATOM 685 CG LEU A 43 -1.096 1.665 0.415 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.030 1.587 -0.643 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.757 0.308 0.744 1.00 6.41 C ATOM 0 H LEU A 43 -2.463 4.720 1.839 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.085 1.975 2.786 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.043 3.398 1.211 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.238 1.925 2.117 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.971 2.200 0.046 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.398 1.005 -1.488 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.224 2.593 -0.978 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.858 1.107 -0.231 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.101 -0.162 -0.177 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.031 -0.341 1.233 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.606 0.468 1.409 1.00 6.41 H new ATOM 699 N ILE A 44 -0.888 2.761 5.016 1.00 4.58 N ATOM 700 CA ILE A 44 -0.283 3.172 6.301 1.00 5.55 C ATOM 701 C ILE A 44 0.978 2.397 6.631 1.00 5.46 C ATOM 702 O ILE A 44 1.156 1.247 6.404 1.00 6.04 O ATOM 703 CB ILE A 44 -1.278 2.955 7.451 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.578 3.745 7.222 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.675 3.308 8.824 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.399 5.247 7.154 1.00 13.90 C ATOM 0 H ILE A 44 -1.283 1.821 5.042 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.028 4.226 6.191 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.512 1.890 7.459 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.036 3.404 6.293 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.276 3.511 8.026 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.418 3.137 9.603 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.197 2.681 9.011 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.376 4.356 8.831 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.366 5.722 6.991 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.973 5.605 8.091 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.729 5.497 6.331 1.00 13.90 H new ATOM 718 N PHE A 45 2.020 3.074 7.159 1.00 6.75 N ATOM 719 CA PHE A 45 3.217 2.388 7.605 1.00 4.70 C ATOM 720 C PHE A 45 3.788 3.336 8.614 1.00 6.34 C ATOM 721 O PHE A 45 3.743 4.552 8.400 1.00 5.45 O ATOM 722 CB PHE A 45 4.208 2.061 6.420 1.00 5.51 C ATOM 723 CG PHE A 45 5.408 1.304 6.800 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.244 -0.023 7.112 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.685 1.879 6.933 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.303 -0.785 7.663 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.726 1.144 7.479 1.00 6.64 C ATOM 728 CZ PHE A 45 7.533 -0.213 7.795 1.00 6.84 C ATOM 0 H PHE A 45 2.042 4.087 7.280 1.00 6.75 H new ATOM 0 HA PHE A 45 3.016 1.403 8.026 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.667 1.497 5.660 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.520 2.998 5.959 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.289 -0.495 6.934 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.855 2.895 6.609 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.138 -1.806 7.974 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.682 1.612 7.661 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.365 -0.806 8.145 1.00 6.84 H new ATOM 738 N ALA A 46 4.397 2.763 9.694 1.00 6.53 N ATOM 739 CA ALA A 46 5.082 3.445 10.739 1.00 7.15 C ATOM 740 C ALA A 46 4.354 4.643 11.367 1.00 9.00 C ATOM 741 O ALA A 46 4.844 5.768 11.506 1.00 11.15 O ATOM 742 CB ALA A 46 6.566 3.899 10.454 1.00 8.99 C ATOM 0 H ALA A 46 4.400 1.752 9.829 1.00 6.53 H new ATOM 0 HA ALA A 46 5.103 2.619 11.449 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.967 4.405 11.332 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.177 3.025 10.229 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.581 4.581 9.604 1.00 8.99 H new ATOM 748 N GLY A 47 3.120 4.414 11.733 1.00 9.35 N ATOM 749 CA GLY A 47 2.241 5.449 12.384 1.00 11.68 C ATOM 750 C GLY A 47 1.726 6.494 11.450 1.00 11.14 C ATOM 751 O GLY A 47 1.017 7.410 11.930 1.00 13.93 O ATOM 0 H GLY A 47 2.660 3.513 11.603 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.394 4.947 12.851 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.803 5.936 13.181 1.00 11.68 H new ATOM 755 N LYS A 48 1.996 6.448 10.100 1.00 10.47 N ATOM 756 CA LYS A 48 1.570 7.499 9.243 1.00 8.82 C ATOM 757 C LYS A 48 1.011 7.015 7.902 1.00 7.68 C ATOM 758 O LYS A 48 1.234 5.889 7.507 1.00 6.47 O ATOM 759 CB LYS A 48 2.769 8.469 8.886 1.00 9.74 C ATOM 760 CG LYS A 48 3.961 7.627 8.364 1.00 14.14 C ATOM 761 CD LYS A 48 5.011 8.569 7.755 1.00 16.32 C ATOM 762 CE LYS A 48 6.256 7.877 7.306 1.00 20.04 C ATOM 763 NZ LYS A 48 7.381 8.816 7.427 1.00 23.92 N ATOM 0 H LYS A 48 2.499 5.691 9.636 1.00 10.47 H new ATOM 0 HA LYS A 48 0.785 8.001 9.808 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.458 9.190 8.130 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.067 9.039 9.766 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.400 7.051 9.178 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.618 6.912 7.616 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.569 9.089 6.905 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.274 9.328 8.491 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.436 6.990 7.913 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.152 7.542 6.274 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.257 8.349 7.118 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.203 9.649 6.831 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.479 9.115 8.418 1.00 23.92 H new ATOM 777 N GLN A 49 0.348 7.946 7.199 1.00 8.89 N ATOM 778 CA GLN A 49 -0.124 7.710 5.829 1.00 7.18 C ATOM 779 C GLN A 49 1.020 7.943 4.812 1.00 8.23 C ATOM 780 O GLN A 49 1.802 8.885 4.828 1.00 9.70 O ATOM 781 CB GLN A 49 -1.268 8.754 5.494 1.00 11.67 C ATOM 782 CG GLN A 49 -1.951 8.576 4.143 1.00 15.82 C ATOM 783 CD GLN A 49 -2.954 9.573 3.817 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.866 10.283 2.822 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.927 9.777 4.742 1.00 20.67 N ATOM 0 H GLN A 49 0.127 8.874 7.561 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.482 6.683 5.760 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.027 8.696 6.274 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.843 9.757 5.536 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.188 8.585 3.365 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.420 7.592 4.118 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.984 9.175 5.564 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.601 10.532 4.615 1.00 20.67 H new ATOM 794 N LEU A 50 1.079 7.072 3.729 1.00 6.51 N ATOM 795 CA LEU A 50 2.089 7.097 2.638 1.00 7.41 C ATOM 796 C LEU A 50 1.413 7.554 1.422 1.00 8.27 C ATOM 797 O LEU A 50 0.246 7.224 1.171 1.00 8.34 O ATOM 798 CB LEU A 50 2.650 5.669 2.353 1.00 7.13 C ATOM 799 CG LEU A 50 3.182 4.901 3.572 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.839 3.590 3.115 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.139 5.611 4.578 1.00 9.11 C ATOM 0 H LEU A 50 0.398 6.322 3.608 1.00 6.51 H new ATOM 0 HA LEU A 50 2.911 7.749 2.932 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.861 5.076 1.890 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.455 5.755 1.623 1.00 7.13 H new ATOM 0 HG LEU A 50 2.272 4.768 4.156 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.215 3.049 3.984 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.103 2.976 2.596 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.666 3.813 2.441 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.411 4.917 5.373 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.039 5.936 4.056 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.636 6.477 5.009 1.00 9.11 H new ATOM 813 N GLU A 51 1.991 8.461 0.676 1.00 9.43 N ATOM 814 CA GLU A 51 1.204 9.370 -0.147 1.00 11.90 C ATOM 815 C GLU A 51 1.319 8.926 -1.562 1.00 11.49 C ATOM 816 O GLU A 51 2.427 8.732 -2.063 1.00 9.88 O ATOM 817 CB GLU A 51 1.733 10.848 -0.068 1.00 16.56 C ATOM 818 CG GLU A 51 1.573 11.440 1.391 1.00 26.06 C ATOM 819 CD GLU A 51 2.063 12.837 1.513 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.509 13.735 0.812 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.973 13.042 2.326 1.00 33.44 O ATOM 0 H GLU A 51 3.000 8.597 0.615 1.00 9.43 H new ATOM 0 HA GLU A 51 0.176 9.351 0.215 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.782 10.877 -0.361 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.187 11.470 -0.777 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.522 11.404 1.677 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.116 10.809 2.094 1.00 26.06 H new ATOM 828 N ASP A 52 0.155 8.935 -2.300 1.00 12.71 N ATOM 829 CA ASP A 52 0.017 8.565 -3.714 1.00 16.56 C ATOM 830 C ASP A 52 1.175 8.758 -4.705 1.00 15.83 C ATOM 831 O ASP A 52 1.509 7.831 -5.444 1.00 17.21 O ATOM 832 CB ASP A 52 -1.229 9.236 -4.245 1.00 21.05 C ATOM 833 CG ASP A 52 -1.791 8.652 -5.509 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.165 7.468 -5.496 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.103 9.435 -6.423 1.00 25.82 O ATOM 0 H ASP A 52 -0.735 9.215 -1.888 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.014 7.476 -3.670 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.998 9.196 -3.474 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.007 10.289 -4.420 1.00 21.05 H new ATOM 840 N GLY A 53 1.761 9.996 -4.817 1.00 15.00 N ATOM 841 CA GLY A 53 2.841 10.441 -5.703 1.00 11.77 C ATOM 842 C GLY A 53 4.198 10.223 -5.171 1.00 11.10 C ATOM 843 O GLY A 53 5.059 10.695 -5.848 1.00 11.25 O ATOM 0 H GLY A 53 1.444 10.763 -4.224 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.750 9.920 -6.656 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.711 11.504 -5.908 1.00 11.77 H new ATOM 847 N ARG A 54 4.396 9.519 -4.018 1.00 8.53 N ATOM 848 CA ARG A 54 5.692 9.201 -3.483 1.00 9.05 C ATOM 849 C ARG A 54 5.997 7.707 -3.614 1.00 8.96 C ATOM 850 O ARG A 54 5.133 6.909 -3.846 1.00 11.60 O ATOM 851 CB ARG A 54 5.737 9.587 -2.002 1.00 7.97 C ATOM 852 CG ARG A 54 5.486 11.122 -1.614 1.00 9.62 C ATOM 853 CD ARG A 54 6.406 12.066 -2.308 1.00 12.20 C ATOM 854 NE ARG A 54 6.075 13.454 -1.724 1.00 18.23 N ATOM 855 CZ ARG A 54 6.871 14.543 -1.649 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.154 14.478 -1.827 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.303 15.673 -1.254 1.00 23.38 N ATOM 0 H ARG A 54 3.627 9.165 -3.449 1.00 8.53 H new ATOM 0 HA ARG A 54 6.438 9.759 -4.048 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.995 8.985 -1.478 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.714 9.300 -1.612 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.456 11.386 -1.855 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.601 11.240 -0.537 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.449 11.802 -2.130 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.251 12.045 -3.387 1.00 12.20 H new ATOM 0 HE ARG A 54 5.134 13.564 -1.346 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.596 13.582 -2.032 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.721 15.323 -1.762 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.310 15.691 -1.024 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.859 16.525 -1.180 1.00 23.38 H new ATOM 871 N THR A 55 7.267 7.365 -3.490 1.00 9.05 N ATOM 872 CA THR A 55 7.727 6.060 -3.708 1.00 9.03 C ATOM 873 C THR A 55 8.120 5.309 -2.384 1.00 8.15 C ATOM 874 O THR A 55 8.230 5.948 -1.302 1.00 5.91 O ATOM 875 CB THR A 55 8.963 6.002 -4.582 1.00 11.15 C ATOM 876 OG1 THR A 55 10.095 6.562 -3.959 1.00 11.95 O ATOM 877 CG2 THR A 55 8.708 6.528 -6.012 1.00 11.71 C ATOM 0 H THR A 55 8.001 8.023 -3.228 1.00 9.05 H new ATOM 0 HA THR A 55 6.877 5.581 -4.193 1.00 9.03 H new ATOM 0 HB THR A 55 9.204 4.947 -4.709 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.821 7.322 -3.405 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.628 6.463 -6.593 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.934 5.926 -6.489 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.382 7.567 -5.965 1.00 11.71 H new ATOM 885 N LEU A 56 8.310 3.985 -2.396 1.00 6.91 N ATOM 886 CA LEU A 56 8.952 3.221 -1.367 1.00 8.29 C ATOM 887 C LEU A 56 10.308 3.630 -0.961 1.00 8.05 C ATOM 888 O LEU A 56 10.607 3.669 0.248 1.00 10.17 O ATOM 889 CB LEU A 56 9.051 1.776 -1.841 1.00 6.60 C ATOM 890 CG LEU A 56 7.710 0.945 -1.735 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.844 1.166 -2.980 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.959 -0.595 -1.530 1.00 8.64 C ATOM 0 H LEU A 56 7.996 3.404 -3.174 1.00 6.91 H new ATOM 0 HA LEU A 56 8.326 3.381 -0.489 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.382 1.772 -2.879 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.821 1.270 -1.259 1.00 6.60 H new ATOM 0 HG LEU A 56 7.189 1.310 -0.850 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.925 0.587 -2.891 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.599 2.224 -3.070 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.391 0.844 -3.866 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.002 -1.113 -1.464 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.527 -0.987 -2.374 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.521 -0.753 -0.610 1.00 8.64 H new ATOM 904 N SER A 57 11.196 4.039 -1.889 1.00 8.92 N ATOM 905 CA SER A 57 12.488 4.650 -1.651 1.00 9.00 C ATOM 906 C SER A 57 12.374 5.954 -0.841 1.00 9.44 C ATOM 907 O SER A 57 13.350 6.385 -0.232 1.00 10.91 O ATOM 908 CB SER A 57 13.309 4.990 -2.949 1.00 10.32 C ATOM 909 OG SER A 57 13.853 3.832 -3.590 1.00 13.59 O ATOM 0 H SER A 57 11.002 3.938 -2.885 1.00 8.92 H new ATOM 0 HA SER A 57 13.021 3.879 -1.095 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.664 5.517 -3.652 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.121 5.670 -2.690 1.00 10.32 H new ATOM 0 HG SER A 57 14.350 4.104 -4.390 1.00 13.59 H new ATOM 915 N ASP A 58 11.247 6.636 -0.865 1.00 9.11 N ATOM 916 CA ASP A 58 11.045 7.906 -0.080 1.00 7.91 C ATOM 917 C ASP A 58 10.718 7.594 1.350 1.00 9.12 C ATOM 918 O ASP A 58 11.015 8.389 2.263 1.00 8.61 O ATOM 919 CB ASP A 58 9.945 8.790 -0.664 1.00 8.41 C ATOM 920 CG ASP A 58 10.492 9.343 -1.970 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.469 10.137 -1.997 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.869 9.028 -2.986 1.00 11.70 O ATOM 0 H ASP A 58 10.434 6.356 -1.413 1.00 9.11 H new ATOM 0 HA ASP A 58 11.984 8.457 -0.138 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.035 8.216 -0.836 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.688 9.597 0.023 1.00 8.41 H new ATOM 927 N TYR A 59 10.122 6.398 1.655 1.00 7.97 N ATOM 928 CA TYR A 59 9.689 6.074 3.013 1.00 8.45 C ATOM 929 C TYR A 59 10.627 4.981 3.572 1.00 10.98 C ATOM 930 O TYR A 59 10.396 4.454 4.667 1.00 12.95 O ATOM 931 CB TYR A 59 8.205 5.508 3.042 1.00 7.94 C ATOM 932 CG TYR A 59 7.263 6.579 2.681 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.019 7.656 3.576 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.541 6.510 1.490 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.050 8.572 3.308 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.676 7.542 1.066 1.00 6.52 C ATOM 937 CZ TYR A 59 5.452 8.586 2.015 1.00 6.76 C ATOM 938 OH TYR A 59 4.491 9.573 1.611 1.00 7.63 O ATOM 0 H TYR A 59 9.941 5.663 0.971 1.00 7.97 H new ATOM 0 HA TYR A 59 9.722 6.987 3.608 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.109 4.675 2.346 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.971 5.123 4.034 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.608 7.748 4.477 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.648 5.633 0.868 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.739 9.278 4.064 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.215 7.542 0.090 1.00 6.52 H new ATOM 0 HH TYR A 59 4.561 9.721 0.645 1.00 7.63 H new ATOM 948 N ASN A 60 11.707 4.733 2.801 1.00 12.38 N ATOM 949 CA ASN A 60 12.845 3.825 2.970 1.00 13.94 C ATOM 950 C ASN A 60 12.409 2.434 3.373 1.00 14.16 C ATOM 951 O ASN A 60 13.016 1.863 4.281 1.00 14.26 O ATOM 952 CB ASN A 60 13.946 4.391 3.967 1.00 19.23 C ATOM 953 CG ASN A 60 14.430 5.802 3.596 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.946 5.948 2.487 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.329 6.740 4.557 1.00 24.09 N ATOM 0 H ASN A 60 11.806 5.242 1.923 1.00 12.38 H new ATOM 0 HA ASN A 60 13.314 3.755 1.989 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.538 4.408 4.977 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.799 3.713 3.979 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.701 7.676 4.397 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.880 6.514 5.445 1.00 24.09 H new ATOM 962 N ILE A 61 11.432 1.890 2.579 1.00 11.08 N ATOM 963 CA ILE A 61 10.713 0.682 2.880 1.00 11.78 C ATOM 964 C ILE A 61 11.548 -0.471 2.324 1.00 13.74 C ATOM 965 O ILE A 61 12.326 -0.325 1.353 1.00 14.60 O ATOM 966 CB ILE A 61 9.278 0.694 2.315 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.437 1.753 3.151 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.534 -0.640 2.395 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.182 2.226 2.368 1.00 11.42 C ATOM 0 H ILE A 61 11.142 2.317 1.699 1.00 11.08 H new ATOM 0 HA ILE A 61 10.580 0.575 3.957 1.00 11.78 H new ATOM 0 HB ILE A 61 9.373 0.934 1.256 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.131 1.310 4.099 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.064 2.612 3.389 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.536 -0.526 1.973 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.082 -1.396 1.833 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.454 -0.950 3.437 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.630 2.949 2.968 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.491 2.692 1.432 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.543 1.370 2.153 1.00 11.42 H new ATOM 981 N GLN A 62 11.467 -1.720 2.945 1.00 13.97 N ATOM 982 CA GLN A 62 12.382 -2.806 2.723 1.00 15.52 C ATOM 983 C GLN A 62 11.652 -4.125 2.574 1.00 13.94 C ATOM 984 O GLN A 62 10.450 -4.301 2.810 1.00 12.15 O ATOM 985 CB GLN A 62 13.236 -3.015 3.994 1.00 19.53 C ATOM 986 CG GLN A 62 14.000 -1.854 4.596 1.00 26.38 C ATOM 987 CD GLN A 62 15.029 -2.329 5.670 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.990 -3.028 5.385 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.659 -1.902 6.894 1.00 32.71 N ATOM 0 H GLN A 62 10.733 -1.950 3.615 1.00 13.97 H new ATOM 0 HA GLN A 62 12.956 -2.552 1.832 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.574 -3.403 4.768 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.960 -3.799 3.772 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.523 -1.315 3.806 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.298 -1.154 5.050 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.829 -1.318 7.001 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.209 -2.163 7.713 1.00 32.71 H new ATOM 998 N LYS A 63 12.426 -5.086 2.041 1.00 11.73 N ATOM 999 CA LYS A 63 12.146 -6.495 1.888 1.00 11.97 C ATOM 1000 C LYS A 63 11.402 -7.103 3.067 1.00 10.41 C ATOM 1001 O LYS A 63 11.813 -6.967 4.181 1.00 9.59 O ATOM 1002 CB LYS A 63 13.568 -7.181 1.757 1.00 13.73 C ATOM 1003 CG LYS A 63 13.479 -8.722 1.739 1.00 16.98 C ATOM 1004 CD LYS A 63 14.852 -9.248 1.258 1.00 20.19 C ATOM 1005 CE LYS A 63 15.000 -10.767 1.336 1.00 23.42 C ATOM 1006 NZ LYS A 63 13.968 -11.324 0.459 1.00 25.97 N ATOM 0 H LYS A 63 13.350 -4.856 1.676 1.00 11.73 H new ATOM 0 HA LYS A 63 11.496 -6.649 1.027 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.051 -6.837 0.843 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.198 -6.866 2.589 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.245 -9.106 2.732 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.683 -9.055 1.072 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.010 -8.931 0.227 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.636 -8.786 1.857 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.994 -11.078 1.014 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.872 -11.118 2.360 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.356 -12.136 -0.062 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 13.157 -11.636 1.031 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.656 -10.597 -0.216 1.00 25.97 H new ATOM 1020 N GLU A 64 10.237 -7.672 2.776 1.00 10.04 N ATOM 1021 CA GLU A 64 9.257 -8.422 3.633 1.00 10.94 C ATOM 1022 C GLU A 64 8.572 -7.649 4.738 1.00 9.74 C ATOM 1023 O GLU A 64 7.866 -8.132 5.622 1.00 9.42 O ATOM 1024 CB GLU A 64 9.943 -9.673 4.189 1.00 18.31 C ATOM 1025 CG GLU A 64 10.377 -10.670 3.034 1.00 24.16 C ATOM 1026 CD GLU A 64 11.317 -11.706 3.513 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.930 -12.542 4.387 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.499 -11.707 3.060 1.00 32.61 O ATOM 0 H GLU A 64 9.892 -7.626 1.817 1.00 10.04 H new ATOM 0 HA GLU A 64 8.431 -8.669 2.966 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.821 -9.380 4.765 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.267 -10.184 4.875 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.491 -11.150 2.619 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.842 -10.106 2.225 1.00 24.16 H new ATOM 1035 N SER A 65 8.631 -6.313 4.626 1.00 6.85 N ATOM 1036 CA SER A 65 7.838 -5.304 5.334 1.00 6.90 C ATOM 1037 C SER A 65 6.338 -5.501 5.204 1.00 4.72 C ATOM 1038 O SER A 65 5.786 -5.579 4.140 1.00 3.91 O ATOM 1039 CB SER A 65 8.135 -3.807 4.992 1.00 7.28 C ATOM 1040 OG SER A 65 7.888 -2.931 6.050 1.00 10.56 O ATOM 0 H SER A 65 9.292 -5.877 3.983 1.00 6.85 H new ATOM 0 HA SER A 65 8.171 -5.484 6.356 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.178 -3.712 4.689 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.527 -3.511 4.137 1.00 7.28 H new ATOM 0 HG SER A 65 7.025 -2.487 5.913 1.00 10.56 H new ATOM 1046 N THR A 66 5.679 -5.422 6.348 1.00 4.48 N ATOM 1047 CA THR A 66 4.159 -5.359 6.479 1.00 3.80 C ATOM 1048 C THR A 66 3.622 -3.948 6.411 1.00 4.60 C ATOM 1049 O THR A 66 3.652 -3.144 7.344 1.00 5.33 O ATOM 1050 CB THR A 66 3.553 -6.100 7.607 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.960 -7.467 7.645 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.052 -6.135 7.658 1.00 3.40 C ATOM 0 H THR A 66 6.155 -5.397 7.250 1.00 4.48 H new ATOM 0 HA THR A 66 3.836 -5.907 5.594 1.00 3.80 H new ATOM 0 HB THR A 66 3.920 -5.520 8.454 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.536 -7.914 8.407 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.731 -6.707 8.529 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.667 -5.118 7.729 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.668 -6.606 6.753 1.00 3.40 H new ATOM 1060 N LEU A 67 3.117 -3.561 5.210 1.00 4.17 N ATOM 1061 CA LEU A 67 2.341 -2.326 5.068 1.00 3.85 C ATOM 1062 C LEU A 67 0.954 -2.536 5.669 1.00 3.80 C ATOM 1063 O LEU A 67 0.424 -3.653 5.644 1.00 5.54 O ATOM 1064 CB LEU A 67 2.053 -2.104 3.524 1.00 7.18 C ATOM 1065 CG LEU A 67 3.304 -1.621 2.744 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.973 -1.391 1.242 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.977 -0.264 3.282 1.00 11.66 C ATOM 0 H LEU A 67 3.237 -4.086 4.344 1.00 4.17 H new ATOM 0 HA LEU A 67 2.887 -1.508 5.538 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.696 -3.037 3.088 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.254 -1.372 3.409 1.00 7.18 H new ATOM 0 HG LEU A 67 4.018 -2.430 2.897 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.868 -1.053 0.720 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.625 -2.324 0.799 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.193 -0.634 1.153 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.842 -0.018 2.666 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.251 0.548 3.230 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.295 -0.400 4.316 1.00 11.66 H new ATOM 1079 N HIS A 68 0.336 -1.463 6.165 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.026 -1.567 6.512 1.00 4.17 C ATOM 1081 C HIS A 68 -1.948 -0.871 5.532 1.00 5.32 C ATOM 1082 O HIS A 68 -1.639 0.220 5.016 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.237 -1.045 7.928 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.700 -2.011 8.843 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.222 -1.772 9.849 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.032 -3.300 9.002 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.394 -2.946 10.510 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.314 -3.932 9.989 1.00 16.30 N ATOM 0 H HIS A 68 0.766 -0.551 6.321 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.291 -2.624 6.468 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.742 -0.082 8.057 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.298 -0.886 8.121 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.790 -3.794 8.412 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.039 -3.061 11.368 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.325 -4.917 10.253 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.119 -1.497 5.236 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.041 -1.090 4.187 1.00 3.97 C ATOM 1098 C LEU A 69 -5.400 -0.706 4.827 1.00 5.07 C ATOM 1099 O LEU A 69 -5.952 -1.450 5.664 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.301 -2.274 3.320 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.408 -2.131 2.210 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.195 -0.908 1.238 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.347 -3.499 1.447 1.00 9.96 C ATOM 0 H LEU A 69 -3.439 -2.320 5.746 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.619 -0.254 3.629 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.366 -2.544 2.830 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.576 -3.109 3.964 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.382 -1.922 2.652 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.001 -0.882 0.504 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.197 0.018 1.813 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.239 -1.014 0.724 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.086 -3.502 0.646 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.352 -3.635 1.023 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.560 -4.312 2.141 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.869 0.551 4.564 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.037 1.068 5.192 1.00 6.26 C ATOM 1117 C VAL A 70 -7.954 1.288 4.036 1.00 9.22 C ATOM 1118 O VAL A 70 -7.516 1.850 3.017 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.804 2.388 5.972 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.162 2.960 6.300 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.973 2.100 7.244 1.00 8.54 C ATOM 0 H VAL A 70 -5.424 1.197 3.911 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.418 0.389 5.955 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.241 3.111 5.382 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.041 3.893 6.851 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.708 3.152 5.377 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.719 2.248 6.910 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.810 3.029 7.791 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.511 1.395 7.878 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.011 1.672 6.961 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.245 0.906 4.198 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.262 1.013 3.230 1.00 16.06 C ATOM 1133 C LEU A 71 -11.375 2.034 3.620 1.00 18.09 C ATOM 1134 O LEU A 71 -11.976 1.915 4.674 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.836 -0.424 3.015 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.787 -1.428 2.486 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.412 -2.809 2.330 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.170 -0.802 1.220 1.00 19.57 C ATOM 0 H LEU A 71 -9.580 0.498 5.071 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.846 1.408 2.303 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.238 -0.792 3.959 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.668 -0.374 2.312 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.965 -1.606 3.180 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.663 -3.507 1.957 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.779 -3.153 3.297 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.241 -2.755 1.625 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.420 -1.477 0.809 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.952 -0.633 0.479 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.701 0.148 1.475 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.561 3.034 2.721 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.295 4.220 2.936 1.00 25.83 C ATOM 1152 C ARG A 72 -13.785 4.090 2.686 1.00 27.74 C ATOM 1153 O ARG A 72 -14.470 4.945 2.154 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.807 5.330 2.043 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.291 5.575 2.151 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.965 6.990 1.666 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.391 7.994 2.740 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.099 9.293 2.726 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.363 9.846 1.763 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.550 10.094 3.663 1.00 35.02 N ATOM 0 H ARG A 72 -11.162 2.991 1.783 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.134 4.439 3.992 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -12.057 5.092 1.009 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.336 6.249 2.295 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -9.964 5.449 3.183 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.750 4.841 1.554 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.898 7.083 1.466 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.484 7.196 0.730 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.939 7.642 3.525 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.002 9.270 1.002 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.160 10.845 1.786 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.132 9.723 4.414 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.318 11.087 3.640 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.331 2.960 3.120 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.723 2.667 3.030 1.00 30.76 C ATOM 1176 C LEU A 73 -16.495 2.972 4.274 1.00 32.18 C ATOM 1177 O LEU A 73 -17.720 2.805 4.352 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.858 1.149 2.742 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.959 0.474 1.760 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.023 -1.079 1.896 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.311 0.985 0.347 1.00 29.11 C ATOM 0 H LEU A 73 -13.787 2.214 3.553 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.137 3.298 2.244 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.739 0.631 3.694 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.882 0.976 2.410 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.919 0.727 1.964 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.356 -1.536 1.165 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.715 -1.369 2.900 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.043 -1.418 1.717 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.664 0.503 -0.386 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.351 0.749 0.123 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.166 2.065 0.304 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.745 3.379 5.337 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.226 3.487 6.724 1.00 35.33 C ATOM 1195 C ARG A 74 -16.682 4.854 7.139 1.00 36.22 C ATOM 1196 O ARG A 74 -16.876 5.096 8.342 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.169 2.923 7.699 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.560 1.571 7.290 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.509 0.417 7.147 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.633 -0.746 6.699 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.930 -1.680 5.798 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.060 -1.668 5.100 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.080 -2.673 5.589 1.00 41.93 N ATOM 0 H ARG A 74 -14.765 3.645 5.238 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.131 2.881 6.768 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -14.364 3.651 7.799 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.625 2.816 8.683 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.042 1.705 6.340 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -13.805 1.301 8.029 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.010 0.196 8.090 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.288 0.632 6.415 1.00 39.75 H new ATOM 0 HE ARG A 74 -13.716 -0.817 7.139 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.741 -0.922 5.245 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.247 -2.404 4.419 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.208 -2.717 6.116 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.297 -3.394 4.901 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.837 5.826 6.228 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.291 7.148 6.612 1.00 36.07 C ATOM 1219 C GLY A 75 -16.107 8.116 6.665 1.00 36.16 C ATOM 1220 O GLY A 75 -16.327 9.294 6.980 1.00 36.26 O ATOM 0 H GLY A 75 -16.653 5.712 5.231 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.033 7.507 5.899 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.779 7.105 7.586 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.853 7.716 6.372 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.720 8.714 6.457 1.00 36.19 C ATOM 1226 C GLY A 76 -12.517 8.317 5.620 1.00 36.20 C ATOM 1227 O GLY A 76 -12.727 7.511 4.709 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.371 8.812 5.790 1.00 0.00 O ATOM 0 H GLY A 76 -14.588 6.773 6.089 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.078 9.690 6.130 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.413 8.819 7.498 1.00 36.19 H new TER 1232 GLY A 76