USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -37:sc= 1.16 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.63 K(o=2.8,f=-5.4!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 158:sc= 1.19 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 151:sc= 1.01 USER MOD Set 3.1: A 7 THR OG1 : rot 133:sc= 1.5 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.986 USER MOD Single : A 1 MET CE :methyl 167:sc= 0 (180deg=-0.243) USER MOD Single : A 1 MET N :NH3+ 174:sc= 1.15 (180deg=1.12) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 1.06 (180deg=0.645) USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.155 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0402 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 1.6 (180deg=1.53) USER MOD Single : A 29 LYS NZ :NH3+ 137:sc= 0.0902 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.63) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0163 K(o=-0.016,f=-0.98) USER MOD Single : A 41 GLN : amide:sc= 0.324 K(o=0.32,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.347 K(o=0.35,f=-2.5!) USER MOD Single : A 55 THR OG1 : rot -53:sc= 0.371 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.608 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0662 X(o=-0.066,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 1.31 (180deg=1.16) USER MOD Single : A 65 SER OG : rot 83:sc= 0.67 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0937 X(o=-0.094,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.281 -4.414 -3.537 1.00 0.78 N ATOM 2 CA MET A 1 13.000 -5.026 -2.219 1.00 0.70 C ATOM 3 C MET A 1 11.570 -5.422 -2.091 1.00 0.62 C ATOM 4 O MET A 1 10.774 -4.830 -2.818 1.00 0.68 O ATOM 5 CB MET A 1 13.430 -4.088 -1.079 1.00 0.75 C ATOM 6 CG MET A 1 12.369 -3.046 -0.718 1.00 0.79 C ATOM 7 SD MET A 1 13.028 -1.607 0.177 1.00 1.10 S ATOM 8 CE MET A 1 11.430 -0.771 0.392 1.00 0.84 C ATOM 0 H1 MET A 1 14.258 -4.059 -3.554 1.00 0.78 H new ATOM 0 H2 MET A 1 13.159 -5.127 -4.284 1.00 0.78 H new ATOM 0 H3 MET A 1 12.623 -3.625 -3.701 1.00 0.78 H new ATOM 0 HA MET A 1 13.591 -5.939 -2.143 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.660 -4.683 -0.195 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.349 -3.576 -1.366 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.884 -2.703 -1.632 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.600 -3.520 -0.108 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.536 0.034 1.119 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.104 -0.358 -0.563 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.690 -1.487 0.749 1.00 0.84 H new ATOM 20 N GLN A 2 11.246 -6.382 -1.205 1.00 0.59 N ATOM 21 CA GLN A 2 9.903 -6.870 -1.171 1.00 0.56 C ATOM 22 C GLN A 2 9.157 -6.220 -0.056 1.00 0.50 C ATOM 23 O GLN A 2 9.725 -6.029 1.018 1.00 0.60 O ATOM 24 CB GLN A 2 9.794 -8.403 -1.110 1.00 0.71 C ATOM 25 CG GLN A 2 10.246 -9.042 0.206 1.00 1.15 C ATOM 26 CD GLN A 2 10.329 -10.561 0.179 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.729 -11.338 -0.562 1.00 1.87 O ATOM 28 NE2 GLN A 2 11.109 -11.195 1.096 1.00 1.72 N ATOM 0 H GLN A 2 11.887 -6.807 -0.535 1.00 0.59 H new ATOM 0 HA GLN A 2 9.445 -6.597 -2.122 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.757 -8.684 -1.293 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.387 -8.825 -1.922 1.00 0.71 H new ATOM 0 HG2 GLN A 2 11.225 -8.643 0.471 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.556 -8.743 0.995 1.00 1.15 H new ATOM 0 HE21 GLN A 2 11.654 -10.651 1.765 1.00 1.72 H new ATOM 0 HE22 GLN A 2 11.148 -12.214 1.115 1.00 1.72 H new ATOM 37 N ILE A 3 7.892 -5.852 -0.328 1.00 0.44 N ATOM 38 CA ILE A 3 7.025 -5.342 0.689 1.00 0.42 C ATOM 39 C ILE A 3 5.805 -6.194 0.733 1.00 0.40 C ATOM 40 O ILE A 3 5.413 -7.010 -0.100 1.00 0.50 O ATOM 41 CB ILE A 3 6.664 -3.892 0.558 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.935 -3.586 -0.761 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.974 -3.086 0.577 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.437 -2.153 -0.936 1.00 0.72 C ATOM 0 H ILE A 3 7.469 -5.908 -1.254 1.00 0.44 H new ATOM 0 HA ILE A 3 7.579 -5.388 1.627 1.00 0.42 H new ATOM 0 HB ILE A 3 5.996 -3.628 1.378 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.607 -3.819 -1.587 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.081 -4.259 -0.845 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.749 -2.024 0.483 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.498 -3.265 1.516 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.605 -3.398 -0.255 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.940 -2.056 -1.901 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.733 -1.913 -0.139 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.282 -1.466 -0.892 1.00 0.72 H new ATOM 56 N PHE A 4 5.072 -6.128 1.859 1.00 0.37 N ATOM 57 CA PHE A 4 3.910 -6.923 2.113 1.00 0.38 C ATOM 58 C PHE A 4 2.775 -5.974 2.290 1.00 0.39 C ATOM 59 O PHE A 4 2.857 -5.013 3.052 1.00 0.60 O ATOM 60 CB PHE A 4 4.117 -7.776 3.375 1.00 0.45 C ATOM 61 CG PHE A 4 5.277 -8.698 3.218 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.370 -9.516 2.118 1.00 1.30 C ATOM 63 CD2 PHE A 4 6.255 -8.670 4.183 1.00 1.16 C ATOM 64 CE1 PHE A 4 6.474 -10.308 1.904 1.00 1.40 C ATOM 65 CE2 PHE A 4 7.275 -9.584 4.060 1.00 1.23 C ATOM 66 CZ PHE A 4 7.364 -10.388 2.948 1.00 0.85 C ATOM 0 H PHE A 4 5.299 -5.494 2.625 1.00 0.37 H new ATOM 0 HA PHE A 4 3.710 -7.611 1.291 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.280 -7.125 4.234 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.215 -8.353 3.579 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.558 -9.538 1.406 1.00 1.30 H new ATOM 0 HD2 PHE A 4 6.224 -7.964 4.999 1.00 1.16 H new ATOM 0 HE1 PHE A 4 6.631 -10.834 0.974 1.00 1.40 H new ATOM 0 HE2 PHE A 4 8.013 -9.671 4.844 1.00 1.23 H new ATOM 0 HZ PHE A 4 8.165 -11.111 2.893 1.00 0.85 H new ATOM 76 N VAL A 5 1.639 -6.255 1.627 1.00 0.35 N ATOM 77 CA VAL A 5 0.444 -5.483 1.766 1.00 0.35 C ATOM 78 C VAL A 5 -0.605 -6.424 2.250 1.00 0.35 C ATOM 79 O VAL A 5 -0.807 -7.460 1.619 1.00 0.46 O ATOM 80 CB VAL A 5 0.161 -4.809 0.455 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.000 -3.843 0.745 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.388 -4.151 -0.197 1.00 0.56 C ATOM 0 H VAL A 5 1.549 -7.038 0.979 1.00 0.35 H new ATOM 0 HA VAL A 5 0.508 -4.672 2.491 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.116 -5.536 -0.309 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.267 -3.310 -0.168 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.862 -4.407 1.101 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.695 -3.126 1.508 1.00 0.58 H new ATOM 0 HG21 VAL A 5 1.095 -3.688 -1.139 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.791 -3.390 0.471 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.149 -4.908 -0.386 1.00 0.56 H new ATOM 92 N LYS A 6 -1.274 -6.306 3.411 1.00 0.36 N ATOM 93 CA LYS A 6 -2.311 -7.112 3.978 1.00 0.39 C ATOM 94 C LYS A 6 -3.633 -6.429 3.900 1.00 0.46 C ATOM 95 O LYS A 6 -3.860 -5.315 4.367 1.00 0.53 O ATOM 96 CB LYS A 6 -2.023 -7.428 5.456 1.00 0.54 C ATOM 97 CG LYS A 6 -1.282 -8.765 5.498 1.00 1.22 C ATOM 98 CD LYS A 6 -1.066 -9.068 6.982 1.00 1.37 C ATOM 99 CE LYS A 6 -0.885 -10.574 7.182 1.00 1.93 C ATOM 100 NZ LYS A 6 0.436 -11.020 6.683 1.00 2.09 N ATOM 0 H LYS A 6 -1.051 -5.532 4.037 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.339 -8.035 3.399 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.420 -6.640 5.907 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.951 -7.485 6.025 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.864 -9.551 5.018 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.332 -8.703 4.968 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.188 -8.535 7.347 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.918 -8.714 7.563 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -0.979 -10.818 8.240 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -1.676 -11.112 6.659 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.696 -11.916 7.142 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.389 -11.159 5.653 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 1.152 -10.298 6.903 1.00 2.09 H new ATOM 114 N THR A 7 -4.657 -7.185 3.465 1.00 0.58 N ATOM 115 CA THR A 7 -5.986 -6.734 3.193 1.00 0.78 C ATOM 116 C THR A 7 -6.928 -6.773 4.347 1.00 0.94 C ATOM 117 O THR A 7 -6.525 -7.263 5.400 1.00 0.99 O ATOM 118 CB THR A 7 -6.534 -7.457 1.997 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.898 -8.780 2.360 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.448 -7.504 0.910 1.00 0.92 C ATOM 0 H THR A 7 -4.546 -8.184 3.291 1.00 0.58 H new ATOM 0 HA THR A 7 -5.899 -5.669 2.976 1.00 0.78 H new ATOM 0 HB THR A 7 -7.416 -6.937 1.623 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.790 -8.982 2.009 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.832 -8.027 0.034 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.167 -6.488 0.632 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.573 -8.030 1.292 1.00 0.92 H new ATOM 128 N LEU A 8 -8.203 -6.358 4.234 1.00 1.17 N ATOM 129 CA LEU A 8 -9.221 -6.474 5.231 1.00 1.39 C ATOM 130 C LEU A 8 -9.749 -7.867 5.260 1.00 1.44 C ATOM 131 O LEU A 8 -10.263 -8.345 6.270 1.00 1.60 O ATOM 132 CB LEU A 8 -10.366 -5.458 5.080 1.00 1.66 C ATOM 133 CG LEU A 8 -10.045 -3.983 4.788 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.153 -3.171 4.095 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.540 -3.282 6.061 1.00 2.43 C ATOM 0 H LEU A 8 -8.545 -5.909 3.384 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.747 -6.237 6.183 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -11.014 -5.815 4.279 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.950 -5.488 6.000 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.253 -4.015 4.040 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.812 -2.147 3.941 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.388 -3.624 3.132 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.046 -3.166 4.720 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.317 -2.239 5.838 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.308 -3.332 6.833 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.637 -3.778 6.416 1.00 2.43 H new ATOM 147 N THR A 9 -9.615 -8.654 4.178 1.00 1.41 N ATOM 148 CA THR A 9 -10.107 -9.995 4.100 1.00 1.51 C ATOM 149 C THR A 9 -9.156 -10.918 4.779 1.00 1.37 C ATOM 150 O THR A 9 -9.531 -11.929 5.371 1.00 1.62 O ATOM 151 CB THR A 9 -10.308 -10.370 2.661 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.159 -10.148 1.858 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.526 -9.622 2.094 1.00 2.08 C ATOM 0 H THR A 9 -9.147 -8.346 3.326 1.00 1.41 H new ATOM 0 HA THR A 9 -11.068 -10.072 4.608 1.00 1.51 H new ATOM 0 HB THR A 9 -10.490 -11.444 2.632 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.350 -10.412 0.934 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.668 -9.897 1.049 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.415 -9.890 2.664 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.359 -8.547 2.166 1.00 2.08 H new ATOM 161 N GLY A 10 -7.854 -10.611 4.639 1.00 1.18 N ATOM 162 CA GLY A 10 -6.696 -11.225 5.212 1.00 1.22 C ATOM 163 C GLY A 10 -5.792 -12.044 4.357 1.00 0.99 C ATOM 164 O GLY A 10 -5.484 -13.193 4.673 1.00 1.31 O ATOM 0 H GLY A 10 -7.583 -9.828 4.044 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.094 -10.432 5.656 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.036 -11.862 6.029 1.00 1.22 H new ATOM 168 N LYS A 11 -5.325 -11.448 3.246 1.00 0.73 N ATOM 169 CA LYS A 11 -4.503 -11.968 2.198 1.00 0.60 C ATOM 170 C LYS A 11 -3.315 -11.070 2.158 1.00 0.51 C ATOM 171 O LYS A 11 -3.494 -9.860 2.282 1.00 0.63 O ATOM 172 CB LYS A 11 -5.296 -11.945 0.880 1.00 0.75 C ATOM 173 CG LYS A 11 -4.558 -12.128 -0.447 1.00 0.87 C ATOM 174 CD LYS A 11 -5.350 -11.845 -1.726 1.00 1.04 C ATOM 175 CE LYS A 11 -4.560 -11.971 -3.030 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.509 -12.051 -4.163 1.00 1.40 N ATOM 0 H LYS A 11 -5.558 -10.472 3.063 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.195 -13.001 2.357 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.055 -12.725 0.942 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.822 -10.992 0.832 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.682 -11.479 -0.440 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.194 -13.154 -0.494 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.197 -12.529 -1.767 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.758 -10.836 -1.664 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.898 -11.114 -3.153 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.929 -12.860 -3.004 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.981 -12.052 -5.059 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.065 -12.926 -4.089 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.149 -11.231 -4.139 1.00 1.40 H new ATOM 190 N THR A 12 -2.088 -11.602 2.018 1.00 0.49 N ATOM 191 CA THR A 12 -0.866 -10.859 1.961 1.00 0.48 C ATOM 192 C THR A 12 -0.384 -10.852 0.553 1.00 0.52 C ATOM 193 O THR A 12 -0.214 -11.862 -0.129 1.00 0.72 O ATOM 194 CB THR A 12 0.270 -11.443 2.748 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.172 -11.754 4.061 1.00 0.77 O ATOM 196 CG2 THR A 12 1.446 -10.452 2.764 1.00 0.78 C ATOM 0 H THR A 12 -1.940 -12.608 1.940 1.00 0.49 H new ATOM 0 HA THR A 12 -1.112 -9.881 2.374 1.00 0.48 H new ATOM 0 HB THR A 12 0.614 -12.366 2.283 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.347 -12.508 4.411 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.271 -10.876 3.336 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.773 -10.259 1.742 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.128 -9.517 3.225 1.00 0.78 H new ATOM 204 N ILE A 13 -0.218 -9.651 -0.031 1.00 0.48 N ATOM 205 CA ILE A 13 0.336 -9.464 -1.336 1.00 0.55 C ATOM 206 C ILE A 13 1.768 -9.083 -1.175 1.00 0.51 C ATOM 207 O ILE A 13 2.246 -8.503 -0.201 1.00 0.56 O ATOM 208 CB ILE A 13 -0.274 -8.345 -2.127 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.810 -8.321 -2.052 1.00 1.15 C ATOM 210 CG2 ILE A 13 0.071 -8.585 -3.606 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.385 -6.997 -2.553 1.00 1.55 C ATOM 0 H ILE A 13 -0.480 -8.777 0.424 1.00 0.48 H new ATOM 0 HA ILE A 13 0.157 -10.400 -1.866 1.00 0.55 H new ATOM 0 HB ILE A 13 0.113 -7.411 -1.720 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.215 -9.140 -2.646 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.126 -8.487 -1.022 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.358 -7.788 -4.214 1.00 1.13 H new ATOM 0 HG22 ILE A 13 1.154 -8.594 -3.730 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.338 -9.544 -3.924 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.472 -7.023 -2.483 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.001 -6.179 -1.943 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.092 -6.843 -3.592 1.00 1.55 H new ATOM 223 N THR A 14 2.597 -9.641 -2.076 1.00 0.55 N ATOM 224 CA THR A 14 4.007 -9.406 -2.048 1.00 0.54 C ATOM 225 C THR A 14 4.416 -8.500 -3.160 1.00 0.55 C ATOM 226 O THR A 14 4.565 -8.987 -4.280 1.00 0.72 O ATOM 227 CB THR A 14 4.812 -10.671 -2.086 1.00 0.67 C ATOM 228 OG1 THR A 14 4.587 -11.345 -0.857 1.00 1.08 O ATOM 229 CG2 THR A 14 6.346 -10.628 -2.179 1.00 1.03 C ATOM 0 H THR A 14 2.288 -10.258 -2.827 1.00 0.55 H new ATOM 0 HA THR A 14 4.219 -8.923 -1.094 1.00 0.54 H new ATOM 0 HB THR A 14 4.472 -11.117 -3.020 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.965 -10.819 -0.122 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.738 -11.645 -2.194 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.641 -10.112 -3.093 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.748 -10.097 -1.316 1.00 1.03 H new ATOM 237 N LEU A 15 4.609 -7.184 -2.960 1.00 0.50 N ATOM 238 CA LEU A 15 5.002 -6.288 -4.002 1.00 0.55 C ATOM 239 C LEU A 15 6.475 -6.067 -4.053 1.00 0.52 C ATOM 240 O LEU A 15 7.128 -5.890 -3.026 1.00 0.58 O ATOM 241 CB LEU A 15 4.235 -4.954 -4.009 1.00 0.69 C ATOM 242 CG LEU A 15 2.717 -5.081 -3.799 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.046 -3.718 -3.558 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.039 -5.786 -4.985 1.00 1.55 C ATOM 0 H LEU A 15 4.489 -6.733 -2.053 1.00 0.50 H new ATOM 0 HA LEU A 15 4.716 -6.804 -4.919 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.643 -4.312 -3.228 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.415 -4.453 -4.960 1.00 0.69 H new ATOM 0 HG LEU A 15 2.586 -5.689 -2.904 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.975 -3.860 -3.415 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.472 -3.255 -2.668 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.215 -3.072 -4.420 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.967 -5.858 -4.801 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.213 -5.214 -5.896 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.455 -6.787 -5.100 1.00 1.55 H new ATOM 256 N GLU A 16 7.095 -5.978 -5.243 1.00 0.59 N ATOM 257 CA GLU A 16 8.458 -5.546 -5.251 1.00 0.63 C ATOM 258 C GLU A 16 8.507 -4.087 -5.552 1.00 0.65 C ATOM 259 O GLU A 16 7.930 -3.636 -6.540 1.00 0.81 O ATOM 260 CB GLU A 16 9.308 -6.170 -6.371 1.00 0.76 C ATOM 261 CG GLU A 16 9.433 -7.684 -6.193 1.00 1.41 C ATOM 262 CD GLU A 16 10.175 -8.326 -7.356 1.00 1.52 C ATOM 263 OE1 GLU A 16 9.877 -8.050 -8.549 1.00 1.95 O ATOM 264 OE2 GLU A 16 11.173 -9.058 -7.120 1.00 1.92 O ATOM 0 H GLU A 16 6.683 -6.191 -6.151 1.00 0.59 H new ATOM 0 HA GLU A 16 8.847 -5.833 -4.274 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.856 -5.951 -7.339 1.00 0.76 H new ATOM 0 HB3 GLU A 16 10.300 -5.718 -6.373 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.958 -7.899 -5.262 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.439 -8.124 -6.107 1.00 1.41 H new ATOM 271 N VAL A 17 9.295 -3.278 -4.820 1.00 0.61 N ATOM 272 CA VAL A 17 9.373 -1.852 -4.896 1.00 0.63 C ATOM 273 C VAL A 17 10.813 -1.487 -4.792 1.00 0.65 C ATOM 274 O VAL A 17 11.632 -2.208 -4.223 1.00 0.76 O ATOM 275 CB VAL A 17 8.621 -1.234 -3.754 1.00 0.70 C ATOM 276 CG1 VAL A 17 7.112 -1.367 -4.018 1.00 0.96 C ATOM 277 CG2 VAL A 17 9.052 -1.823 -2.400 1.00 0.92 C ATOM 0 H VAL A 17 9.930 -3.655 -4.117 1.00 0.61 H new ATOM 0 HA VAL A 17 8.939 -1.493 -5.829 1.00 0.63 H new ATOM 0 HB VAL A 17 8.862 -0.173 -3.691 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.557 -0.920 -3.193 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.858 -0.854 -4.946 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.849 -2.421 -4.103 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.484 -1.349 -1.600 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.862 -2.896 -2.393 1.00 0.92 H new ATOM 0 HG23 VAL A 17 10.116 -1.642 -2.246 1.00 0.92 H new ATOM 287 N GLU A 18 11.238 -0.312 -5.289 1.00 0.68 N ATOM 288 CA GLU A 18 12.470 0.347 -4.984 1.00 0.74 C ATOM 289 C GLU A 18 12.147 1.507 -4.105 1.00 0.71 C ATOM 290 O GLU A 18 11.054 2.050 -4.259 1.00 0.74 O ATOM 291 CB GLU A 18 13.263 0.756 -6.236 1.00 0.88 C ATOM 292 CG GLU A 18 13.633 -0.402 -7.165 1.00 1.16 C ATOM 293 CD GLU A 18 14.553 -1.425 -6.515 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.707 -1.141 -6.094 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.245 -2.646 -6.477 1.00 2.33 O ATOM 0 H GLU A 18 10.676 0.217 -5.956 1.00 0.68 H new ATOM 0 HA GLU A 18 13.135 -0.343 -4.466 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.677 1.483 -6.799 1.00 0.88 H new ATOM 0 HB3 GLU A 18 14.178 1.259 -5.922 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.721 -0.901 -7.493 1.00 1.16 H new ATOM 0 HG3 GLU A 18 14.117 -0.003 -8.056 1.00 1.16 H new ATOM 302 N PRO A 19 13.009 2.116 -3.347 1.00 0.74 N ATOM 303 CA PRO A 19 12.588 3.113 -2.408 1.00 0.74 C ATOM 304 C PRO A 19 12.152 4.370 -3.078 1.00 0.70 C ATOM 305 O PRO A 19 11.517 5.196 -2.423 1.00 0.74 O ATOM 306 CB PRO A 19 13.866 3.463 -1.649 1.00 0.86 C ATOM 307 CG PRO A 19 14.601 2.117 -1.539 1.00 0.95 C ATOM 308 CD PRO A 19 14.318 1.607 -2.961 1.00 0.82 C ATOM 0 HA PRO A 19 11.759 2.740 -1.807 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.461 4.202 -2.185 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.647 3.882 -0.667 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.665 2.228 -1.330 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.190 1.469 -0.764 1.00 0.95 H new ATOM 0 HD2 PRO A 19 15.085 1.953 -3.654 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.331 0.517 -2.989 1.00 0.82 H new ATOM 316 N SER A 20 12.355 4.473 -4.403 1.00 0.70 N ATOM 317 CA SER A 20 12.125 5.622 -5.223 1.00 0.74 C ATOM 318 C SER A 20 10.772 5.597 -5.848 1.00 0.71 C ATOM 319 O SER A 20 10.285 6.665 -6.218 1.00 0.80 O ATOM 320 CB SER A 20 13.201 5.669 -6.319 1.00 0.89 C ATOM 321 OG SER A 20 13.306 4.422 -6.991 1.00 1.45 O ATOM 0 H SER A 20 12.710 3.685 -4.945 1.00 0.70 H new ATOM 0 HA SER A 20 12.177 6.510 -4.594 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.958 6.452 -7.037 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.163 5.929 -5.877 1.00 0.89 H new ATOM 0 HG SER A 20 13.996 4.481 -7.684 1.00 1.45 H new ATOM 327 N ASP A 21 10.057 4.459 -5.849 1.00 0.70 N ATOM 328 CA ASP A 21 8.715 4.213 -6.279 1.00 0.73 C ATOM 329 C ASP A 21 7.847 4.991 -5.351 1.00 0.64 C ATOM 330 O ASP A 21 8.102 5.115 -4.154 1.00 0.66 O ATOM 331 CB ASP A 21 8.445 2.699 -6.254 1.00 0.87 C ATOM 332 CG ASP A 21 9.123 1.988 -7.417 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.487 2.635 -8.436 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.279 0.738 -7.428 1.00 1.50 O ATOM 0 H ASP A 21 10.481 3.599 -5.501 1.00 0.70 H new ATOM 0 HA ASP A 21 8.519 4.529 -7.303 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.803 2.281 -5.313 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.371 2.520 -6.294 1.00 0.87 H new ATOM 339 N THR A 22 6.691 5.451 -5.862 1.00 0.63 N ATOM 340 CA THR A 22 5.728 6.189 -5.105 1.00 0.58 C ATOM 341 C THR A 22 4.649 5.296 -4.593 1.00 0.53 C ATOM 342 O THR A 22 4.642 4.135 -4.995 1.00 0.58 O ATOM 343 CB THR A 22 5.216 7.368 -5.879 1.00 0.63 C ATOM 344 OG1 THR A 22 4.509 7.074 -7.074 1.00 0.70 O ATOM 345 CG2 THR A 22 6.347 8.336 -6.267 1.00 0.75 C ATOM 0 H THR A 22 6.418 5.305 -6.834 1.00 0.63 H new ATOM 0 HA THR A 22 6.219 6.602 -4.224 1.00 0.58 H new ATOM 0 HB THR A 22 4.512 7.811 -5.175 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.922 6.304 -7.517 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.932 9.175 -6.826 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.834 8.706 -5.365 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.077 7.814 -6.885 1.00 0.75 H new ATOM 353 N ILE A 23 3.766 5.795 -3.710 1.00 0.51 N ATOM 354 CA ILE A 23 2.565 5.165 -3.254 1.00 0.48 C ATOM 355 C ILE A 23 1.613 4.937 -4.375 1.00 0.48 C ATOM 356 O ILE A 23 0.961 3.894 -4.421 1.00 0.51 O ATOM 357 CB ILE A 23 1.965 5.854 -2.063 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.920 6.139 -0.892 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.710 5.112 -1.573 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.653 4.925 -0.324 1.00 0.73 C ATOM 0 H ILE A 23 3.903 6.711 -3.282 1.00 0.51 H new ATOM 0 HA ILE A 23 2.830 4.175 -2.884 1.00 0.48 H new ATOM 0 HB ILE A 23 1.697 6.842 -2.438 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.662 6.867 -1.221 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.350 6.605 -0.088 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.294 5.631 -0.709 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.031 5.085 -2.371 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.977 4.094 -1.290 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.298 5.240 0.496 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.926 4.201 0.044 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.258 4.466 -1.106 1.00 0.73 H new ATOM 372 N GLU A 24 1.571 5.807 -5.400 1.00 0.50 N ATOM 373 CA GLU A 24 0.913 5.721 -6.667 1.00 0.53 C ATOM 374 C GLU A 24 1.331 4.461 -7.342 1.00 0.50 C ATOM 375 O GLU A 24 0.487 3.659 -7.739 1.00 0.55 O ATOM 376 CB GLU A 24 0.982 7.049 -7.441 1.00 0.64 C ATOM 377 CG GLU A 24 0.185 7.046 -8.746 1.00 0.95 C ATOM 378 CD GLU A 24 0.271 8.291 -9.617 1.00 1.05 C ATOM 379 OE1 GLU A 24 -0.478 9.284 -9.417 1.00 1.56 O ATOM 380 OE2 GLU A 24 1.047 8.342 -10.608 1.00 1.62 O ATOM 0 H GLU A 24 2.070 6.693 -5.323 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.167 5.615 -6.570 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.612 7.851 -6.802 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.025 7.275 -7.664 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.515 6.194 -9.341 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.864 6.877 -8.501 1.00 0.95 H new ATOM 387 N ASN A 25 2.631 4.147 -7.480 1.00 0.51 N ATOM 388 CA ASN A 25 3.135 2.917 -8.006 1.00 0.52 C ATOM 389 C ASN A 25 2.675 1.693 -7.291 1.00 0.47 C ATOM 390 O ASN A 25 2.406 0.660 -7.902 1.00 0.53 O ATOM 391 CB ASN A 25 4.662 2.891 -8.193 1.00 0.64 C ATOM 392 CG ASN A 25 5.126 4.027 -9.094 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.605 5.036 -8.580 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.966 3.755 -10.417 1.00 1.57 N ATOM 0 H ASN A 25 3.374 4.791 -7.208 1.00 0.51 H new ATOM 0 HA ASN A 25 2.683 2.887 -8.997 1.00 0.52 H new ATOM 0 HB2 ASN A 25 5.151 2.970 -7.222 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.962 1.936 -8.624 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.262 4.435 -11.117 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.550 2.871 -10.709 1.00 1.57 H new ATOM 401 N VAL A 26 2.579 1.835 -5.957 1.00 0.45 N ATOM 402 CA VAL A 26 2.064 0.831 -5.077 1.00 0.44 C ATOM 403 C VAL A 26 0.635 0.474 -5.304 1.00 0.40 C ATOM 404 O VAL A 26 0.323 -0.713 -5.376 1.00 0.44 O ATOM 405 CB VAL A 26 2.339 1.189 -3.646 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.742 0.170 -2.661 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.852 1.148 -3.371 1.00 0.62 C ATOM 0 H VAL A 26 2.872 2.683 -5.472 1.00 0.45 H new ATOM 0 HA VAL A 26 2.606 -0.083 -5.320 1.00 0.44 H new ATOM 0 HB VAL A 26 1.900 2.177 -3.503 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.969 0.475 -1.640 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.661 0.125 -2.794 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.172 -0.814 -2.850 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.040 1.409 -2.330 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.230 0.145 -3.567 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.359 1.861 -4.021 1.00 0.62 H new ATOM 417 N LYS A 27 -0.287 1.435 -5.495 1.00 0.40 N ATOM 418 CA LYS A 27 -1.666 1.315 -5.850 1.00 0.41 C ATOM 419 C LYS A 27 -1.881 0.762 -7.218 1.00 0.38 C ATOM 420 O LYS A 27 -2.823 0.051 -7.563 1.00 0.42 O ATOM 421 CB LYS A 27 -2.384 2.674 -5.807 1.00 0.51 C ATOM 422 CG LYS A 27 -2.424 3.353 -4.436 1.00 0.76 C ATOM 423 CD LYS A 27 -3.023 4.761 -4.465 1.00 0.82 C ATOM 424 CE LYS A 27 -3.361 5.230 -3.048 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.454 6.225 -3.101 1.00 1.11 N ATOM 0 H LYS A 27 -0.028 2.416 -5.386 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.074 0.626 -5.110 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.895 3.346 -6.512 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.408 2.536 -6.155 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -3.004 2.735 -3.751 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.411 3.407 -4.037 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.317 5.453 -4.925 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.923 4.767 -5.081 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.659 4.380 -2.434 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.480 5.668 -2.579 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.716 6.504 -2.134 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.136 7.063 -3.629 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.280 5.809 -3.577 1.00 1.11 H new ATOM 439 N ALA A 28 -0.941 1.016 -8.144 1.00 0.39 N ATOM 440 CA ALA A 28 -0.994 0.555 -9.497 1.00 0.39 C ATOM 441 C ALA A 28 -0.878 -0.929 -9.563 1.00 0.36 C ATOM 442 O ALA A 28 -1.642 -1.599 -10.255 1.00 0.42 O ATOM 443 CB ALA A 28 0.129 1.276 -10.262 1.00 0.51 C ATOM 0 H ALA A 28 -0.107 1.567 -7.942 1.00 0.39 H new ATOM 0 HA ALA A 28 -1.955 0.788 -9.957 1.00 0.39 H new ATOM 0 HB1 ALA A 28 0.126 0.953 -11.303 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.032 2.353 -10.216 1.00 0.51 H new ATOM 0 HB3 ALA A 28 1.091 1.034 -9.810 1.00 0.51 H new ATOM 449 N LYS A 29 0.032 -1.589 -8.824 1.00 0.39 N ATOM 450 CA LYS A 29 0.193 -3.003 -8.683 1.00 0.43 C ATOM 451 C LYS A 29 -0.971 -3.718 -8.087 1.00 0.44 C ATOM 452 O LYS A 29 -1.329 -4.838 -8.447 1.00 0.54 O ATOM 453 CB LYS A 29 1.391 -3.301 -7.767 1.00 0.54 C ATOM 454 CG LYS A 29 2.737 -2.701 -8.179 1.00 0.65 C ATOM 455 CD LYS A 29 3.931 -2.882 -7.241 1.00 1.08 C ATOM 456 CE LYS A 29 5.159 -2.019 -7.540 1.00 1.24 C ATOM 457 NZ LYS A 29 5.940 -2.514 -8.696 1.00 1.44 N ATOM 0 H LYS A 29 0.722 -1.080 -8.272 1.00 0.39 H new ATOM 0 HA LYS A 29 0.323 -3.362 -9.704 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.151 -2.943 -6.766 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.507 -4.383 -7.700 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.007 -3.125 -9.146 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.592 -1.631 -8.329 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.603 -2.671 -6.223 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.233 -3.929 -7.268 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.839 -0.995 -7.735 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.801 -1.990 -6.659 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.222 -1.711 -9.294 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.790 -3.007 -8.355 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.358 -3.172 -9.252 1.00 1.44 H new ATOM 471 N ILE A 30 -1.547 -3.105 -7.038 1.00 0.41 N ATOM 472 CA ILE A 30 -2.722 -3.698 -6.478 1.00 0.44 C ATOM 473 C ILE A 30 -3.889 -3.501 -7.384 1.00 0.45 C ATOM 474 O ILE A 30 -4.836 -4.284 -7.450 1.00 0.56 O ATOM 475 CB ILE A 30 -2.917 -3.100 -5.117 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.715 -3.594 -4.294 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.281 -3.529 -4.551 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.679 -2.972 -2.899 1.00 1.32 C ATOM 0 H ILE A 30 -1.222 -2.245 -6.596 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.617 -4.778 -6.373 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.944 -2.010 -5.112 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.758 -4.680 -4.205 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.792 -3.354 -4.821 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.418 -3.092 -3.562 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.075 -3.184 -5.214 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.318 -4.616 -4.476 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.814 -3.350 -2.354 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.608 -1.888 -2.986 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.590 -3.234 -2.360 1.00 1.32 H new ATOM 490 N GLN A 31 -3.932 -2.497 -8.277 1.00 0.41 N ATOM 491 CA GLN A 31 -4.948 -2.451 -9.283 1.00 0.48 C ATOM 492 C GLN A 31 -4.777 -3.508 -10.319 1.00 0.52 C ATOM 493 O GLN A 31 -5.753 -4.086 -10.794 1.00 0.66 O ATOM 494 CB GLN A 31 -5.032 -1.132 -10.069 1.00 0.52 C ATOM 495 CG GLN A 31 -6.225 -1.190 -11.025 1.00 0.70 C ATOM 496 CD GLN A 31 -6.807 0.128 -11.516 1.00 0.97 C ATOM 497 OE1 GLN A 31 -6.075 1.040 -11.896 1.00 1.70 O ATOM 498 NE2 GLN A 31 -8.158 0.118 -11.671 1.00 1.43 N ATOM 0 H GLN A 31 -3.269 -1.722 -8.304 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.853 -2.588 -8.692 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.141 -0.292 -9.383 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.111 -0.969 -10.628 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.926 -1.770 -11.898 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.023 -1.745 -10.531 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.705 -0.673 -11.331 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -8.625 0.902 -12.127 1.00 1.43 H new ATOM 507 N ASP A 32 -3.519 -3.841 -10.656 1.00 0.50 N ATOM 508 CA ASP A 32 -3.086 -4.874 -11.545 1.00 0.60 C ATOM 509 C ASP A 32 -3.472 -6.233 -11.073 1.00 0.65 C ATOM 510 O ASP A 32 -3.890 -7.149 -11.781 1.00 0.81 O ATOM 511 CB ASP A 32 -1.560 -4.783 -11.714 1.00 0.67 C ATOM 512 CG ASP A 32 -1.172 -4.156 -13.046 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.860 -3.257 -13.598 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.052 -4.562 -13.457 1.00 1.51 O ATOM 0 H ASP A 32 -2.726 -3.333 -10.264 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.583 -4.723 -12.503 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.139 -4.194 -10.899 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.127 -5.781 -11.643 1.00 0.67 H new ATOM 519 N LYS A 33 -3.221 -6.585 -9.800 1.00 0.62 N ATOM 520 CA LYS A 33 -3.522 -7.862 -9.231 1.00 0.73 C ATOM 521 C LYS A 33 -4.930 -8.028 -8.773 1.00 0.69 C ATOM 522 O LYS A 33 -5.764 -8.848 -9.154 1.00 0.83 O ATOM 523 CB LYS A 33 -2.524 -8.099 -8.086 1.00 0.85 C ATOM 524 CG LYS A 33 -1.078 -8.267 -8.555 1.00 1.31 C ATOM 525 CD LYS A 33 -0.256 -9.308 -7.791 1.00 1.71 C ATOM 526 CE LYS A 33 1.251 -9.142 -7.996 1.00 2.26 C ATOM 527 NZ LYS A 33 2.140 -10.156 -7.386 1.00 2.62 N ATOM 0 H LYS A 33 -2.786 -5.947 -9.134 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.420 -8.613 -10.014 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.576 -7.261 -7.391 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.823 -8.990 -7.534 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.086 -8.539 -9.611 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.575 -7.303 -8.477 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.483 -9.234 -6.728 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.554 -10.306 -8.112 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.445 -9.127 -9.069 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.538 -8.165 -7.606 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.131 -9.924 -7.602 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 2.003 -10.163 -6.355 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.912 -11.094 -7.772 1.00 2.62 H new ATOM 541 N GLU A 34 -5.299 -7.200 -7.779 1.00 0.63 N ATOM 542 CA GLU A 34 -6.498 -7.296 -7.006 1.00 0.67 C ATOM 543 C GLU A 34 -7.718 -6.654 -7.571 1.00 0.69 C ATOM 544 O GLU A 34 -8.849 -6.841 -7.126 1.00 0.95 O ATOM 545 CB GLU A 34 -6.285 -6.847 -5.551 1.00 0.73 C ATOM 546 CG GLU A 34 -5.135 -7.505 -4.786 1.00 0.83 C ATOM 547 CD GLU A 34 -5.384 -9.004 -4.850 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.432 -9.486 -4.342 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.516 -9.650 -5.493 1.00 1.48 O ATOM 0 H GLU A 34 -4.719 -6.410 -7.497 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.712 -8.364 -7.042 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.121 -5.769 -5.549 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.208 -7.030 -5.001 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.174 -7.251 -5.234 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.107 -7.159 -3.753 1.00 0.83 H new ATOM 556 N GLY A 35 -7.533 -5.780 -8.577 1.00 0.63 N ATOM 557 CA GLY A 35 -8.566 -5.110 -9.303 1.00 0.68 C ATOM 558 C GLY A 35 -9.202 -3.976 -8.574 1.00 0.76 C ATOM 559 O GLY A 35 -10.408 -3.777 -8.703 1.00 1.12 O ATOM 0 H GLY A 35 -6.601 -5.526 -8.903 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.150 -4.736 -10.239 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.337 -5.835 -9.564 1.00 0.68 H new ATOM 563 N ILE A 36 -8.429 -3.287 -7.714 1.00 0.70 N ATOM 564 CA ILE A 36 -8.988 -2.272 -6.875 1.00 0.76 C ATOM 565 C ILE A 36 -8.676 -0.943 -7.471 1.00 0.71 C ATOM 566 O ILE A 36 -7.513 -0.711 -7.797 1.00 0.73 O ATOM 567 CB ILE A 36 -8.463 -2.392 -5.475 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.633 -3.827 -4.950 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.151 -1.393 -4.530 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.896 -4.091 -3.638 1.00 1.16 C ATOM 0 H ILE A 36 -7.426 -3.431 -7.600 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.070 -2.389 -6.814 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.400 -2.154 -5.502 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.695 -4.029 -4.807 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.274 -4.526 -5.705 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.747 -1.507 -3.524 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.971 -0.377 -4.881 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.224 -1.586 -4.514 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.062 -5.123 -3.329 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.829 -3.921 -3.780 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.271 -3.417 -2.868 1.00 1.16 H new ATOM 582 N PRO A 37 -9.539 0.023 -7.580 1.00 0.75 N ATOM 583 CA PRO A 37 -9.158 1.275 -8.165 1.00 0.79 C ATOM 584 C PRO A 37 -8.191 2.011 -7.304 1.00 0.75 C ATOM 585 O PRO A 37 -8.350 1.842 -6.096 1.00 0.75 O ATOM 586 CB PRO A 37 -10.456 2.077 -8.096 1.00 0.95 C ATOM 587 CG PRO A 37 -11.573 1.047 -8.327 1.00 1.02 C ATOM 588 CD PRO A 37 -10.975 -0.199 -7.655 1.00 0.85 C ATOM 0 HA PRO A 37 -8.713 1.136 -9.150 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.566 2.568 -7.129 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.477 2.859 -8.855 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.514 1.350 -7.868 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.772 0.887 -9.387 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.398 -0.345 -6.661 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.200 -1.096 -8.231 1.00 0.85 H new ATOM 596 N PRO A 38 -7.281 2.848 -7.704 1.00 0.81 N ATOM 597 CA PRO A 38 -6.321 3.385 -6.784 1.00 0.85 C ATOM 598 C PRO A 38 -6.945 4.390 -5.878 1.00 0.89 C ATOM 599 O PRO A 38 -6.497 4.619 -4.757 1.00 0.99 O ATOM 600 CB PRO A 38 -5.299 4.052 -7.702 1.00 1.01 C ATOM 601 CG PRO A 38 -5.261 3.093 -8.902 1.00 1.25 C ATOM 602 CD PRO A 38 -6.741 2.703 -9.048 1.00 0.98 C ATOM 0 HA PRO A 38 -5.890 2.627 -6.131 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.608 5.056 -7.993 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.323 4.145 -7.225 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.877 3.578 -9.799 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.628 2.226 -8.712 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.256 3.352 -9.757 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.850 1.682 -9.413 1.00 0.98 H new ATOM 610 N ASP A 39 -8.097 4.954 -6.286 1.00 0.96 N ATOM 611 CA ASP A 39 -8.922 5.852 -5.537 1.00 1.11 C ATOM 612 C ASP A 39 -9.534 5.211 -4.339 1.00 1.00 C ATOM 613 O ASP A 39 -9.863 5.780 -3.299 1.00 1.14 O ATOM 614 CB ASP A 39 -9.981 6.536 -6.419 1.00 1.39 C ATOM 615 CG ASP A 39 -9.332 7.167 -7.643 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.680 8.237 -7.511 1.00 2.25 O ATOM 617 OD2 ASP A 39 -9.450 6.640 -8.781 1.00 2.23 O ATOM 0 H ASP A 39 -8.480 4.766 -7.212 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.257 6.632 -5.165 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.728 5.806 -6.732 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.503 7.300 -5.843 1.00 1.39 H new ATOM 622 N GLN A 40 -9.807 3.894 -4.369 1.00 0.87 N ATOM 623 CA GLN A 40 -10.437 3.169 -3.310 1.00 0.84 C ATOM 624 C GLN A 40 -9.395 2.834 -2.300 1.00 0.67 C ATOM 625 O GLN A 40 -9.677 2.668 -1.115 1.00 0.80 O ATOM 626 CB GLN A 40 -11.209 1.942 -3.828 1.00 0.95 C ATOM 627 CG GLN A 40 -12.448 2.225 -4.680 1.00 1.32 C ATOM 628 CD GLN A 40 -13.256 0.946 -4.836 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.990 -0.138 -4.317 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.362 1.078 -5.615 1.00 2.02 N ATOM 0 H GLN A 40 -9.577 3.307 -5.171 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.200 3.784 -2.833 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.524 1.331 -4.415 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.515 1.344 -2.970 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.057 2.998 -4.211 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.152 2.603 -5.659 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.580 1.978 -6.044 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.974 0.277 -5.771 1.00 2.02 H new ATOM 639 N GLN A 41 -8.109 2.734 -2.681 1.00 0.56 N ATOM 640 CA GLN A 41 -7.052 2.221 -1.867 1.00 0.51 C ATOM 641 C GLN A 41 -6.526 3.272 -0.950 1.00 0.49 C ATOM 642 O GLN A 41 -5.978 4.309 -1.320 1.00 0.65 O ATOM 643 CB GLN A 41 -5.894 1.639 -2.694 1.00 0.67 C ATOM 644 CG GLN A 41 -6.342 0.533 -3.651 1.00 0.69 C ATOM 645 CD GLN A 41 -5.158 -0.007 -4.441 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.116 -0.217 -3.823 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.199 -0.277 -5.773 1.00 0.61 N ATOM 0 H GLN A 41 -7.791 3.026 -3.605 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.486 1.409 -1.284 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.425 2.439 -3.266 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.135 1.243 -2.019 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.809 -0.275 -3.088 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.096 0.921 -4.336 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.055 -0.109 -6.301 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.374 -0.648 -6.244 1.00 0.61 H new ATOM 656 N ARG A 42 -6.647 2.983 0.358 1.00 0.47 N ATOM 657 CA ARG A 42 -5.928 3.672 1.384 1.00 0.55 C ATOM 658 C ARG A 42 -4.870 2.790 1.953 1.00 0.46 C ATOM 659 O ARG A 42 -5.123 1.681 2.422 1.00 0.52 O ATOM 660 CB ARG A 42 -6.782 3.842 2.652 1.00 0.73 C ATOM 661 CG ARG A 42 -8.015 4.732 2.484 1.00 1.04 C ATOM 662 CD ARG A 42 -9.015 4.726 3.643 1.00 1.28 C ATOM 663 NE ARG A 42 -8.382 5.478 4.763 1.00 1.69 N ATOM 664 CZ ARG A 42 -8.991 5.384 5.981 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.154 4.690 6.146 1.00 2.34 N ATOM 666 NH2 ARG A 42 -8.438 5.913 7.111 1.00 2.78 N ATOM 0 H ARG A 42 -7.262 2.250 0.712 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.594 4.597 0.915 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.106 2.857 2.989 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.156 4.259 3.441 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.679 5.757 2.327 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.538 4.425 1.578 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.954 5.193 3.346 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -9.249 3.706 3.946 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.538 6.034 4.627 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.589 4.226 5.348 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.589 4.635 7.067 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -7.542 6.397 7.062 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -8.921 5.824 8.005 1.00 2.78 H new ATOM 680 N LEU A 43 -3.604 3.245 1.955 1.00 0.46 N ATOM 681 CA LEU A 43 -2.486 2.489 2.426 1.00 0.42 C ATOM 682 C LEU A 43 -2.120 3.129 3.721 1.00 0.43 C ATOM 683 O LEU A 43 -1.575 4.224 3.846 1.00 0.55 O ATOM 684 CB LEU A 43 -1.298 2.447 1.449 1.00 0.55 C ATOM 685 CG LEU A 43 -1.335 1.397 0.327 1.00 0.65 C ATOM 686 CD1 LEU A 43 -1.070 -0.015 0.876 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.455 1.486 -0.723 1.00 1.12 C ATOM 0 H LEU A 43 -3.350 4.173 1.616 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.752 1.437 2.534 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.209 3.430 0.986 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.390 2.285 2.031 1.00 0.55 H new ATOM 0 HG LEU A 43 -0.496 1.676 -0.310 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.103 -0.735 0.059 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.087 -0.044 1.346 1.00 1.17 H new ATOM 0 HD13 LEU A 43 -1.832 -0.268 1.613 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.343 0.677 -1.444 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -3.423 1.401 -0.230 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.394 2.444 -1.240 1.00 1.12 H new ATOM 699 N ILE A 44 -2.256 2.321 4.788 1.00 0.42 N ATOM 700 CA ILE A 44 -1.901 2.683 6.124 1.00 0.46 C ATOM 701 C ILE A 44 -0.724 1.928 6.638 1.00 0.42 C ATOM 702 O ILE A 44 -0.599 0.731 6.386 1.00 0.53 O ATOM 703 CB ILE A 44 -3.129 2.637 6.983 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.193 3.580 6.395 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.800 3.029 8.433 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.274 3.736 7.464 1.00 1.27 C ATOM 0 H ILE A 44 -2.630 1.375 4.715 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.540 3.711 6.146 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.516 1.618 6.997 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.757 4.546 6.141 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.612 3.168 5.477 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.707 2.988 9.036 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -2.063 2.336 8.839 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.396 4.041 8.454 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.057 4.399 7.096 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.703 2.760 7.693 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.834 4.160 8.367 1.00 1.27 H new ATOM 718 N PHE A 45 0.199 2.625 7.327 1.00 0.42 N ATOM 719 CA PHE A 45 1.322 2.036 7.986 1.00 0.46 C ATOM 720 C PHE A 45 1.706 2.819 9.194 1.00 0.68 C ATOM 721 O PHE A 45 1.829 4.040 9.123 1.00 1.50 O ATOM 722 CB PHE A 45 2.507 1.874 7.019 1.00 0.56 C ATOM 723 CG PHE A 45 3.727 1.202 7.547 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.582 -0.100 7.963 1.00 1.19 C ATOM 725 CD2 PHE A 45 4.935 1.800 7.817 1.00 1.08 C ATOM 726 CE1 PHE A 45 4.600 -0.829 8.532 1.00 1.33 C ATOM 727 CE2 PHE A 45 6.013 1.106 8.313 1.00 1.20 C ATOM 728 CZ PHE A 45 5.829 -0.220 8.627 1.00 1.02 C ATOM 0 H PHE A 45 0.160 3.639 7.428 1.00 0.42 H new ATOM 0 HA PHE A 45 1.032 1.040 8.320 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.161 1.313 6.151 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.793 2.865 6.665 1.00 0.56 H new ATOM 0 HD1 PHE A 45 2.620 -0.575 7.837 1.00 1.19 H new ATOM 0 HD2 PHE A 45 5.042 2.859 7.632 1.00 1.08 H new ATOM 0 HE1 PHE A 45 4.441 -1.836 8.889 1.00 1.33 H new ATOM 0 HE2 PHE A 45 6.971 1.585 8.451 1.00 1.20 H new ATOM 0 HZ PHE A 45 6.677 -0.801 8.959 1.00 1.02 H new ATOM 738 N ALA A 46 1.911 2.080 10.301 1.00 0.81 N ATOM 739 CA ALA A 46 2.455 2.565 11.530 1.00 0.96 C ATOM 740 C ALA A 46 1.911 3.804 12.155 1.00 0.97 C ATOM 741 O ALA A 46 2.651 4.569 12.771 1.00 1.21 O ATOM 742 CB ALA A 46 3.991 2.497 11.559 1.00 1.20 C ATOM 0 H ALA A 46 1.683 1.086 10.338 1.00 0.81 H new ATOM 0 HA ALA A 46 2.040 1.832 12.221 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.354 2.877 12.514 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.312 1.463 11.434 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.397 3.103 10.749 1.00 1.20 H new ATOM 748 N GLY A 47 0.644 4.140 11.859 1.00 0.99 N ATOM 749 CA GLY A 47 0.048 5.333 12.373 1.00 1.10 C ATOM 750 C GLY A 47 -0.198 6.392 11.354 1.00 1.03 C ATOM 751 O GLY A 47 -0.658 7.483 11.688 1.00 1.30 O ATOM 0 H GLY A 47 0.031 3.584 11.262 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.900 5.075 12.846 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.693 5.739 13.152 1.00 1.10 H new ATOM 755 N LYS A 48 -0.012 6.149 10.044 1.00 0.98 N ATOM 756 CA LYS A 48 -0.177 7.168 9.054 1.00 1.05 C ATOM 757 C LYS A 48 -0.650 6.580 7.769 1.00 0.84 C ATOM 758 O LYS A 48 -0.412 5.409 7.474 1.00 0.81 O ATOM 759 CB LYS A 48 1.161 7.827 8.679 1.00 1.42 C ATOM 760 CG LYS A 48 1.880 8.648 9.751 1.00 1.61 C ATOM 761 CD LYS A 48 3.281 8.992 9.240 1.00 1.87 C ATOM 762 CE LYS A 48 4.216 9.485 10.346 1.00 2.22 C ATOM 763 NZ LYS A 48 5.524 9.902 9.794 1.00 2.55 N ATOM 0 H LYS A 48 0.255 5.239 9.668 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.878 7.880 9.489 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.840 7.041 8.349 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.985 8.477 7.822 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.322 9.559 9.969 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.944 8.083 10.681 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.717 8.111 8.769 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.203 9.759 8.469 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.755 10.323 10.869 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.364 8.693 11.081 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.138 10.232 10.566 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.972 9.094 9.316 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.383 10.673 9.111 1.00 2.55 H new ATOM 777 N GLN A 49 -1.347 7.437 7.001 1.00 0.84 N ATOM 778 CA GLN A 49 -1.732 7.134 5.657 1.00 0.80 C ATOM 779 C GLN A 49 -0.775 7.705 4.669 1.00 0.72 C ATOM 780 O GLN A 49 -0.490 8.896 4.781 1.00 0.83 O ATOM 781 CB GLN A 49 -3.087 7.810 5.387 1.00 1.03 C ATOM 782 CG GLN A 49 -3.719 7.290 4.094 1.00 1.67 C ATOM 783 CD GLN A 49 -5.102 7.863 3.823 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.176 7.267 3.750 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.056 9.221 3.752 1.00 2.48 N ATOM 0 H GLN A 49 -1.649 8.358 7.319 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.764 6.050 5.552 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.761 7.626 6.224 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -2.950 8.889 5.319 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.064 7.530 3.256 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.788 6.203 4.144 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.160 9.705 3.814 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -5.917 9.755 3.637 1.00 2.48 H new ATOM 794 N LEU A 50 -0.294 6.847 3.751 1.00 0.69 N ATOM 795 CA LEU A 50 0.717 7.280 2.837 1.00 0.66 C ATOM 796 C LEU A 50 0.233 8.044 1.653 1.00 0.72 C ATOM 797 O LEU A 50 -0.559 7.463 0.913 1.00 0.90 O ATOM 798 CB LEU A 50 1.535 6.024 2.490 1.00 0.65 C ATOM 799 CG LEU A 50 1.959 5.254 3.753 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.788 4.027 3.344 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.627 6.099 4.852 1.00 0.74 C ATOM 0 H LEU A 50 -0.595 5.879 3.642 1.00 0.69 H new ATOM 0 HA LEU A 50 1.341 8.037 3.313 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.945 5.371 1.847 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.421 6.312 1.924 1.00 0.65 H new ATOM 0 HG LEU A 50 1.042 4.925 4.242 1.00 0.64 H new ATOM 0 HD11 LEU A 50 3.091 3.479 4.236 1.00 0.77 H new ATOM 0 HD12 LEU A 50 2.188 3.379 2.706 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.675 4.352 2.800 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.886 5.460 5.696 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.531 6.561 4.456 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.938 6.876 5.183 1.00 0.74 H new ATOM 813 N GLU A 51 0.682 9.294 1.435 1.00 0.70 N ATOM 814 CA GLU A 51 0.270 10.010 0.268 1.00 0.76 C ATOM 815 C GLU A 51 0.851 9.608 -1.043 1.00 0.77 C ATOM 816 O GLU A 51 2.041 9.332 -1.183 1.00 1.23 O ATOM 817 CB GLU A 51 0.521 11.506 0.518 1.00 0.88 C ATOM 818 CG GLU A 51 0.041 12.540 -0.503 1.00 1.35 C ATOM 819 CD GLU A 51 0.330 13.927 0.055 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.458 14.449 0.888 1.00 1.89 O ATOM 821 OE2 GLU A 51 1.303 14.586 -0.399 1.00 1.94 O ATOM 0 H GLU A 51 1.317 9.800 2.053 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.783 9.757 0.145 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.063 11.757 1.475 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.596 11.640 0.635 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.552 12.399 -1.456 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -1.026 12.421 -0.692 1.00 1.35 H new ATOM 828 N ASP A 52 -0.048 9.565 -2.043 1.00 0.66 N ATOM 829 CA ASP A 52 0.052 9.082 -3.385 1.00 0.65 C ATOM 830 C ASP A 52 1.314 9.367 -4.124 1.00 0.60 C ATOM 831 O ASP A 52 2.092 8.446 -4.373 1.00 0.62 O ATOM 832 CB ASP A 52 -1.114 9.684 -4.189 1.00 0.81 C ATOM 833 CG ASP A 52 -2.455 9.252 -3.613 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.781 9.668 -2.470 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.160 8.421 -4.246 1.00 1.44 O ATOM 0 H ASP A 52 -0.987 9.927 -1.877 1.00 0.66 H new ATOM 0 HA ASP A 52 0.029 7.996 -3.291 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.044 10.772 -4.179 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.043 9.369 -5.230 1.00 0.81 H new ATOM 840 N GLY A 53 1.685 10.624 -4.428 1.00 0.68 N ATOM 841 CA GLY A 53 2.914 11.011 -5.046 1.00 0.73 C ATOM 842 C GLY A 53 4.139 11.114 -4.203 1.00 0.72 C ATOM 843 O GLY A 53 5.021 11.775 -4.750 1.00 0.97 O ATOM 0 H GLY A 53 1.084 11.423 -4.228 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.121 10.298 -5.844 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.755 11.981 -5.518 1.00 0.73 H new ATOM 847 N ARG A 54 4.195 10.547 -2.985 1.00 0.64 N ATOM 848 CA ARG A 54 5.405 10.476 -2.226 1.00 0.63 C ATOM 849 C ARG A 54 6.070 9.159 -2.441 1.00 0.59 C ATOM 850 O ARG A 54 5.480 8.135 -2.783 1.00 0.62 O ATOM 851 CB ARG A 54 5.225 10.797 -0.734 1.00 0.69 C ATOM 852 CG ARG A 54 4.300 11.987 -0.472 1.00 0.82 C ATOM 853 CD ARG A 54 4.303 12.490 0.973 1.00 1.18 C ATOM 854 NE ARG A 54 3.542 13.771 1.002 1.00 1.50 N ATOM 855 CZ ARG A 54 3.357 14.517 2.130 1.00 2.00 C ATOM 856 NH1 ARG A 54 4.200 14.497 3.205 1.00 2.48 N ATOM 857 NH2 ARG A 54 2.435 15.521 2.055 1.00 2.49 N ATOM 0 H ARG A 54 3.388 10.131 -2.520 1.00 0.64 H new ATOM 0 HA ARG A 54 6.058 11.265 -2.600 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.826 9.918 -0.227 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.201 11.002 -0.295 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.590 12.807 -1.129 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.282 11.706 -0.743 1.00 0.82 H new ATOM 0 HD2 ARG A 54 3.844 11.756 1.636 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.324 12.642 1.324 1.00 1.18 H new ATOM 0 HE ARG A 54 3.136 14.109 0.129 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.026 13.899 3.194 1.00 2.48 H new ATOM 0 HH12 ARG A 54 4.003 15.080 4.018 1.00 2.48 H new ATOM 0 HH21 ARG A 54 1.925 15.682 1.186 1.00 2.49 H new ATOM 0 HH22 ARG A 54 2.256 16.110 2.868 1.00 2.49 H new ATOM 871 N THR A 55 7.371 9.125 -2.104 1.00 0.63 N ATOM 872 CA THR A 55 8.022 7.853 -2.141 1.00 0.61 C ATOM 873 C THR A 55 8.119 7.167 -0.821 1.00 0.59 C ATOM 874 O THR A 55 7.987 7.754 0.252 1.00 0.64 O ATOM 875 CB THR A 55 9.307 8.049 -2.890 1.00 0.68 C ATOM 876 OG1 THR A 55 10.284 8.748 -2.133 1.00 0.75 O ATOM 877 CG2 THR A 55 9.213 8.813 -4.221 1.00 0.76 C ATOM 0 H THR A 55 7.943 9.922 -1.823 1.00 0.63 H new ATOM 0 HA THR A 55 7.415 7.124 -2.677 1.00 0.61 H new ATOM 0 HB THR A 55 9.584 7.014 -3.091 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.904 9.590 -1.806 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.205 8.890 -4.667 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.550 8.279 -4.901 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.818 9.813 -4.040 1.00 0.76 H new ATOM 885 N LEU A 56 8.552 5.900 -0.936 1.00 0.58 N ATOM 886 CA LEU A 56 8.808 5.029 0.169 1.00 0.59 C ATOM 887 C LEU A 56 9.836 5.590 1.090 1.00 0.64 C ATOM 888 O LEU A 56 9.722 5.605 2.315 1.00 0.70 O ATOM 889 CB LEU A 56 9.219 3.654 -0.385 1.00 0.60 C ATOM 890 CG LEU A 56 8.053 2.672 -0.582 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.214 2.958 -1.839 1.00 1.05 C ATOM 892 CD2 LEU A 56 8.399 1.176 -0.680 1.00 1.03 C ATOM 0 H LEU A 56 8.732 5.462 -1.840 1.00 0.58 H new ATOM 0 HA LEU A 56 7.903 4.922 0.767 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.722 3.797 -1.341 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.945 3.205 0.293 1.00 0.60 H new ATOM 0 HG LEU A 56 7.513 2.854 0.347 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.410 2.226 -1.914 1.00 1.05 H new ATOM 0 HD12 LEU A 56 6.789 3.959 -1.772 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.848 2.891 -2.723 1.00 1.05 H new ATOM 0 HD21 LEU A 56 7.484 0.599 -0.818 1.00 1.03 H new ATOM 0 HD22 LEU A 56 9.063 1.011 -1.528 1.00 1.03 H new ATOM 0 HD23 LEU A 56 8.895 0.856 0.237 1.00 1.03 H new ATOM 904 N SER A 57 10.884 6.213 0.523 1.00 0.68 N ATOM 905 CA SER A 57 11.967 6.925 1.124 1.00 0.75 C ATOM 906 C SER A 57 11.535 8.121 1.902 1.00 0.76 C ATOM 907 O SER A 57 12.064 8.318 2.996 1.00 0.84 O ATOM 908 CB SER A 57 12.966 7.405 0.058 1.00 0.84 C ATOM 909 OG SER A 57 14.059 8.060 0.682 1.00 1.19 O ATOM 0 H SER A 57 10.979 6.214 -0.493 1.00 0.68 H new ATOM 0 HA SER A 57 12.427 6.213 1.809 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.324 6.557 -0.526 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.472 8.084 -0.637 1.00 0.84 H new ATOM 0 HG SER A 57 14.693 8.362 -0.002 1.00 1.19 H new ATOM 915 N ASP A 58 10.611 8.937 1.363 1.00 0.75 N ATOM 916 CA ASP A 58 10.039 10.040 2.069 1.00 0.78 C ATOM 917 C ASP A 58 9.322 9.686 3.327 1.00 0.77 C ATOM 918 O ASP A 58 9.175 10.548 4.191 1.00 0.86 O ATOM 919 CB ASP A 58 8.984 10.759 1.211 1.00 0.83 C ATOM 920 CG ASP A 58 9.582 11.440 -0.012 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.648 12.093 0.144 1.00 1.86 O ATOM 922 OD2 ASP A 58 8.959 11.271 -1.095 1.00 1.90 O ATOM 0 H ASP A 58 10.254 8.827 0.414 1.00 0.75 H new ATOM 0 HA ASP A 58 10.908 10.654 2.305 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.232 10.039 0.889 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.472 11.503 1.821 1.00 0.83 H new ATOM 927 N TYR A 59 8.788 8.470 3.548 1.00 0.72 N ATOM 928 CA TYR A 59 8.167 7.984 4.741 1.00 0.73 C ATOM 929 C TYR A 59 9.024 7.013 5.478 1.00 0.76 C ATOM 930 O TYR A 59 8.565 6.487 6.490 1.00 0.89 O ATOM 931 CB TYR A 59 6.802 7.349 4.425 1.00 0.73 C ATOM 932 CG TYR A 59 5.754 8.387 4.218 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.241 9.109 5.270 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.189 8.361 2.965 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.168 9.931 5.018 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.084 9.154 2.761 1.00 0.70 C ATOM 937 CZ TYR A 59 3.550 9.893 3.790 1.00 0.74 C ATOM 938 OH TYR A 59 2.347 10.576 3.512 1.00 0.86 O ATOM 0 H TYR A 59 8.794 7.759 2.816 1.00 0.72 H new ATOM 0 HA TYR A 59 8.022 8.847 5.390 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.885 6.730 3.531 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.508 6.691 5.242 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.666 9.033 6.260 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.595 7.745 2.176 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.811 10.605 5.783 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.631 9.197 1.782 1.00 0.70 H new ATOM 0 HH TYR A 59 2.540 11.521 3.337 1.00 0.86 H new ATOM 948 N ASN A 60 10.304 6.831 5.107 1.00 0.74 N ATOM 949 CA ASN A 60 11.261 5.920 5.653 1.00 0.79 C ATOM 950 C ASN A 60 10.731 4.547 5.888 1.00 0.75 C ATOM 951 O ASN A 60 10.730 4.029 7.003 1.00 0.86 O ATOM 952 CB ASN A 60 11.952 6.493 6.903 1.00 0.95 C ATOM 953 CG ASN A 60 12.571 7.853 6.613 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.060 8.942 6.875 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.665 7.772 5.812 1.00 1.83 N ATOM 0 H ASN A 60 10.707 7.379 4.347 1.00 0.74 H new ATOM 0 HA ASN A 60 12.019 5.804 4.879 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.228 6.585 7.712 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.725 5.804 7.243 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.073 8.620 5.419 1.00 1.83 H new ATOM 0 HD22 ASN A 60 14.078 6.863 5.603 1.00 1.83 H new ATOM 962 N ILE A 61 10.307 3.824 4.837 1.00 0.67 N ATOM 963 CA ILE A 61 9.827 2.478 4.796 1.00 0.65 C ATOM 964 C ILE A 61 10.880 1.655 4.137 1.00 0.66 C ATOM 965 O ILE A 61 11.478 1.993 3.116 1.00 0.75 O ATOM 966 CB ILE A 61 8.540 2.308 4.044 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.517 3.227 4.732 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.906 0.907 4.009 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.105 3.265 4.151 1.00 0.82 C ATOM 0 H ILE A 61 10.302 4.237 3.904 1.00 0.67 H new ATOM 0 HA ILE A 61 9.620 2.169 5.821 1.00 0.65 H new ATOM 0 HB ILE A 61 8.786 2.532 3.006 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.443 2.926 5.777 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.914 4.242 4.720 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.983 0.940 3.430 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.600 0.205 3.546 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.685 0.582 5.026 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.491 3.952 4.733 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.147 3.603 3.116 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.669 2.267 4.190 1.00 0.82 H new ATOM 981 N GLN A 62 11.284 0.558 4.802 1.00 0.67 N ATOM 982 CA GLN A 62 12.364 -0.317 4.465 1.00 0.70 C ATOM 983 C GLN A 62 11.855 -1.613 3.935 1.00 0.62 C ATOM 984 O GLN A 62 10.640 -1.787 3.862 1.00 0.64 O ATOM 985 CB GLN A 62 13.249 -0.448 5.717 1.00 0.85 C ATOM 986 CG GLN A 62 13.893 0.901 6.042 1.00 1.27 C ATOM 987 CD GLN A 62 14.483 0.944 7.445 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.851 0.573 8.432 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.653 1.637 7.434 1.00 2.16 N ATOM 0 H GLN A 62 10.810 0.258 5.654 1.00 0.67 H new ATOM 0 HA GLN A 62 12.973 0.084 3.655 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.651 -0.788 6.562 1.00 0.85 H new ATOM 0 HB3 GLN A 62 14.021 -1.199 5.550 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.678 1.110 5.315 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.147 1.689 5.941 1.00 1.27 H new ATOM 0 HE21 GLN A 62 16.087 1.891 6.547 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.097 1.903 8.313 1.00 2.16 H new ATOM 998 N LYS A 63 12.709 -2.618 3.671 1.00 0.64 N ATOM 999 CA LYS A 63 12.289 -3.922 3.264 1.00 0.62 C ATOM 1000 C LYS A 63 11.435 -4.639 4.253 1.00 0.59 C ATOM 1001 O LYS A 63 11.520 -4.402 5.456 1.00 0.66 O ATOM 1002 CB LYS A 63 13.528 -4.750 2.883 1.00 0.74 C ATOM 1003 CG LYS A 63 14.373 -5.106 4.107 1.00 0.89 C ATOM 1004 CD LYS A 63 15.801 -5.471 3.699 1.00 1.11 C ATOM 1005 CE LYS A 63 15.899 -6.904 3.172 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.901 -7.992 4.175 1.00 2.12 N ATOM 0 H LYS A 63 13.722 -2.520 3.743 1.00 0.64 H new ATOM 0 HA LYS A 63 11.639 -3.790 2.399 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.213 -5.665 2.380 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.136 -4.189 2.173 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.392 -4.263 4.798 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.917 -5.942 4.637 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.147 -4.778 2.932 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.464 -5.354 4.556 1.00 1.11 H new ATOM 0 HE2 LYS A 63 15.064 -7.072 2.492 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.812 -6.986 2.582 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.090 -8.899 3.703 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 16.640 -7.810 4.883 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.974 -8.033 4.645 1.00 2.12 H new ATOM 1020 N GLU A 64 10.524 -5.468 3.712 1.00 0.57 N ATOM 1021 CA GLU A 64 9.700 -6.433 4.371 1.00 0.58 C ATOM 1022 C GLU A 64 8.757 -5.820 5.349 1.00 0.56 C ATOM 1023 O GLU A 64 8.389 -6.309 6.416 1.00 0.70 O ATOM 1024 CB GLU A 64 10.658 -7.467 4.989 1.00 0.72 C ATOM 1025 CG GLU A 64 11.269 -8.395 3.938 1.00 0.96 C ATOM 1026 CD GLU A 64 12.499 -9.144 4.434 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.339 -8.451 5.068 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.639 -10.396 4.406 1.00 1.69 O ATOM 0 H GLU A 64 10.349 -5.459 2.707 1.00 0.57 H new ATOM 0 HA GLU A 64 9.030 -6.923 3.665 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.456 -6.948 5.519 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.120 -8.062 5.727 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.517 -9.117 3.620 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.539 -7.809 3.060 1.00 0.96 H new ATOM 1035 N SER A 65 8.244 -4.646 4.942 1.00 0.51 N ATOM 1036 CA SER A 65 7.289 -3.901 5.701 1.00 0.51 C ATOM 1037 C SER A 65 5.908 -4.401 5.445 1.00 0.43 C ATOM 1038 O SER A 65 5.407 -4.548 4.330 1.00 0.50 O ATOM 1039 CB SER A 65 7.224 -2.395 5.393 1.00 0.65 C ATOM 1040 OG SER A 65 8.427 -1.722 5.734 1.00 1.04 O ATOM 0 H SER A 65 8.501 -4.202 4.060 1.00 0.51 H new ATOM 0 HA SER A 65 7.630 -4.040 6.727 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.019 -2.252 4.332 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.394 -1.950 5.941 1.00 0.65 H new ATOM 0 HG SER A 65 9.074 -1.819 5.004 1.00 1.04 H new ATOM 1046 N THR A 66 5.150 -4.605 6.537 1.00 0.45 N ATOM 1047 CA THR A 66 3.791 -5.008 6.351 1.00 0.45 C ATOM 1048 C THR A 66 2.916 -3.802 6.346 1.00 0.43 C ATOM 1049 O THR A 66 2.692 -3.216 7.404 1.00 0.58 O ATOM 1050 CB THR A 66 3.276 -5.884 7.454 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.980 -7.102 7.643 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.814 -6.296 7.208 1.00 0.78 C ATOM 0 H THR A 66 5.457 -4.498 7.504 1.00 0.45 H new ATOM 0 HA THR A 66 3.769 -5.561 5.412 1.00 0.45 H new ATOM 0 HB THR A 66 3.404 -5.257 8.336 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.575 -7.603 8.381 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.472 -6.930 8.026 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.189 -5.405 7.154 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.744 -6.845 6.269 1.00 0.78 H new ATOM 1060 N LEU A 67 2.433 -3.382 5.163 1.00 0.38 N ATOM 1061 CA LEU A 67 1.491 -2.313 5.037 1.00 0.38 C ATOM 1062 C LEU A 67 0.101 -2.841 5.143 1.00 0.37 C ATOM 1063 O LEU A 67 -0.128 -4.007 4.824 1.00 0.50 O ATOM 1064 CB LEU A 67 1.599 -1.523 3.722 1.00 0.46 C ATOM 1065 CG LEU A 67 3.039 -1.198 3.292 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.924 -0.393 1.987 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.795 -0.381 4.354 1.00 1.31 C ATOM 0 H LEU A 67 2.704 -3.796 4.271 1.00 0.38 H new ATOM 0 HA LEU A 67 1.729 -1.627 5.850 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.116 -2.094 2.929 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.045 -0.590 3.826 1.00 0.46 H new ATOM 0 HG LEU A 67 3.607 -2.119 3.160 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.921 -0.132 1.631 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.415 -0.993 1.233 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.354 0.518 2.170 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.807 -0.177 4.004 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.274 0.561 4.527 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.840 -0.947 5.284 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.800 -2.019 5.708 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.197 -2.316 5.766 1.00 0.37 C ATOM 1081 C HIS A 68 -2.996 -1.665 4.689 1.00 0.35 C ATOM 1082 O HIS A 68 -2.982 -0.436 4.651 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.744 -1.929 7.150 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.309 -2.857 8.246 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -3.113 -3.693 8.993 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.043 -3.159 8.642 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -2.290 -4.382 9.829 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.014 -4.085 9.666 1.00 1.51 N ATOM 0 H HIS A 68 -0.552 -1.126 6.135 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.299 -3.389 5.602 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.418 -0.917 7.391 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.833 -1.912 7.110 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -0.158 -2.722 8.204 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -2.645 -5.100 10.553 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.206 -4.449 10.171 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.714 -2.430 3.848 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.604 -2.018 2.806 1.00 0.38 C ATOM 1098 C LEU A 69 -5.977 -1.906 3.374 1.00 0.41 C ATOM 1099 O LEU A 69 -6.569 -2.884 3.829 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.526 -2.916 1.561 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.455 -2.559 0.389 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.797 -1.378 -0.342 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.445 -3.728 -0.611 1.00 1.14 C ATOM 0 H LEU A 69 -3.664 -3.447 3.907 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.298 -1.039 2.438 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.499 -2.903 1.196 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.743 -3.940 1.866 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.463 -2.342 0.742 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.418 -1.082 -1.188 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.694 -0.537 0.344 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -3.812 -1.676 -0.702 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.099 -3.494 -1.451 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.430 -3.887 -0.975 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.799 -4.633 -0.117 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.455 -0.650 3.439 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.805 -0.346 3.798 1.00 0.56 C ATOM 1117 C VAL A 70 -8.514 0.207 2.610 1.00 0.55 C ATOM 1118 O VAL A 70 -7.957 0.944 1.797 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.824 0.621 4.945 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.224 1.072 5.393 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.001 0.087 6.130 1.00 0.97 C ATOM 0 H VAL A 70 -5.889 0.174 3.237 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.319 -1.252 4.118 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.354 1.526 4.560 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.133 1.769 6.226 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.731 1.564 4.563 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.802 0.204 5.708 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.031 0.807 6.948 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.420 -0.862 6.466 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.968 -0.063 5.817 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.798 -0.129 2.394 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.496 0.398 1.264 1.00 0.84 C ATOM 1133 C LEU A 71 -11.594 1.384 1.471 1.00 0.85 C ATOM 1134 O LEU A 71 -12.420 1.172 2.358 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.065 -0.734 0.392 1.00 1.26 C ATOM 1136 CG LEU A 71 -9.946 -1.713 0.003 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.621 -2.851 -0.782 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -8.922 -1.027 -0.917 1.00 2.78 C ATOM 0 H LEU A 71 -10.344 -0.753 2.988 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.696 0.971 0.795 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.849 -1.262 0.934 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.523 -0.318 -0.505 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.425 -2.070 0.892 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.869 -3.580 -1.085 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.364 -3.338 -0.150 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.109 -2.443 -1.667 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.138 -1.736 -1.181 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.420 -0.683 -1.823 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.481 -0.175 -0.399 1.00 2.78 H new