USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 140:sc= 1.22 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.905 USER MOD Set 2.1: A 22 THR OG1 : rot -62:sc= 0.331 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.229 K(o=0.56,f=-0.4) USER MOD Set 3.1: A 7 THR OG1 : rot 132:sc= 1.03 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.147 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 175:sc= 0.458 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 117:sc= -0.139 USER MOD Single : A 1 MET CE :methyl -138:sc= -0.0289 (180deg=-0.788) USER MOD Single : A 1 MET N :NH3+ -158:sc= 2.27 (180deg=2.12) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 11 LYS NZ :NH3+ 141:sc= 1.26 (180deg=0.253) 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+ 175:sc= 2.04 (180deg=1.86) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0187) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 41 GLN : amide:sc= -0.0179 K(o=-0.018,f=-1.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.0627 USER MOD Single : A 60 ASN : amide:sc= -0.0475 X(o=-0.048,f=-0.031) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 109:sc= 0.834 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.664 2.395 -6.433 1.00 9.67 N ATOM 2 CA MET A 1 -11.926 2.898 -5.067 1.00 10.38 C ATOM 3 C MET A 1 -10.701 3.564 -4.539 1.00 9.62 C ATOM 4 O MET A 1 -9.574 3.452 -5.018 1.00 9.62 O ATOM 5 CB MET A 1 -12.585 1.860 -4.143 1.00 13.77 C ATOM 6 CG MET A 1 -11.661 0.761 -3.614 1.00 16.29 C ATOM 7 SD MET A 1 -12.474 -0.172 -2.283 1.00 17.17 S ATOM 8 CE MET A 1 -10.889 -0.713 -1.582 1.00 16.11 C ATOM 0 H1 MET A 1 -12.565 2.276 -6.938 1.00 9.67 H new ATOM 0 H2 MET A 1 -11.068 3.076 -6.945 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.174 1.479 -6.378 1.00 9.67 H new ATOM 0 HA MET A 1 -12.698 3.667 -5.109 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.021 2.383 -3.292 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.407 1.390 -4.683 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.389 0.086 -4.425 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.736 1.203 -3.243 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.957 -1.762 -1.295 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.102 -0.590 -2.326 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.655 -0.111 -0.704 1.00 16.11 H new ATOM 20 N GLN A 2 -10.933 4.178 -3.365 1.00 9.27 N ATOM 21 CA GLN A 2 -9.921 5.000 -2.779 1.00 9.07 C ATOM 22 C GLN A 2 -9.268 4.304 -1.635 1.00 8.72 C ATOM 23 O GLN A 2 -9.989 3.797 -0.777 1.00 8.22 O ATOM 24 CB GLN A 2 -10.551 6.233 -2.109 1.00 14.46 C ATOM 25 CG GLN A 2 -11.297 7.147 -3.083 1.00 17.01 C ATOM 26 CD GLN A 2 -11.929 8.284 -2.293 1.00 20.10 C ATOM 27 OE1 GLN A 2 -11.317 8.958 -1.466 1.00 21.89 O ATOM 28 NE2 GLN A 2 -13.247 8.505 -2.548 1.00 19.49 N ATOM 0 H GLN A 2 -11.800 4.109 -2.832 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.230 5.245 -3.586 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.242 5.901 -1.334 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.768 6.807 -1.614 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.611 7.542 -3.832 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -12.063 6.586 -3.617 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -13.736 7.934 -3.238 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -13.746 9.241 -2.049 1.00 19.49 H new ATOM 37 N ILE A 3 -7.933 4.426 -1.521 1.00 5.87 N ATOM 38 CA ILE A 3 -7.087 4.116 -0.411 1.00 5.07 C ATOM 39 C ILE A 3 -6.174 5.292 -0.363 1.00 4.01 C ATOM 40 O ILE A 3 -5.861 5.896 -1.388 1.00 4.61 O ATOM 41 CB ILE A 3 -6.462 2.754 -0.348 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.557 2.454 -1.555 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.616 1.764 -0.112 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.772 1.144 -1.511 1.00 10.83 C ATOM 0 H ILE A 3 -7.386 4.785 -2.303 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.660 3.987 0.507 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.754 2.669 0.476 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.176 2.451 -2.452 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.846 3.274 -1.661 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.220 0.750 -0.057 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.119 2.008 0.823 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.327 1.831 -0.935 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.173 1.048 -2.417 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.116 1.142 -0.640 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.466 0.306 -1.445 1.00 10.83 H new ATOM 56 N PHE A 4 -5.778 5.707 0.854 1.00 4.55 N ATOM 57 CA PHE A 4 -4.808 6.737 1.060 1.00 4.68 C ATOM 58 C PHE A 4 -3.538 6.137 1.556 1.00 5.30 C ATOM 59 O PHE A 4 -3.546 5.280 2.438 1.00 5.58 O ATOM 60 CB PHE A 4 -5.368 7.757 2.067 1.00 4.83 C ATOM 61 CG PHE A 4 -6.583 8.343 1.434 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.359 9.456 0.660 1.00 8.34 C ATOM 63 CD2 PHE A 4 -7.881 7.974 1.696 1.00 6.69 C ATOM 64 CE1 PHE A 4 -7.410 10.215 0.201 1.00 10.61 C ATOM 65 CE2 PHE A 4 -8.938 8.689 1.181 1.00 9.10 C ATOM 66 CZ PHE A 4 -8.699 9.885 0.547 1.00 8.90 C ATOM 0 H PHE A 4 -6.144 5.314 1.721 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.597 7.249 0.121 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.616 7.275 3.012 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.632 8.531 2.287 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.347 9.738 0.409 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -8.074 7.110 2.315 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -7.223 11.070 -0.431 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -9.946 8.314 1.274 1.00 9.10 H new ATOM 0 HZ PHE A 4 -9.514 10.557 0.323 1.00 8.90 H new ATOM 76 N VAL A 5 -2.387 6.621 1.056 1.00 4.44 N ATOM 77 CA VAL A 5 -1.150 6.080 1.528 1.00 3.87 C ATOM 78 C VAL A 5 -0.415 7.250 2.085 1.00 4.93 C ATOM 79 O VAL A 5 -0.186 8.208 1.348 1.00 6.84 O ATOM 80 CB VAL A 5 -0.360 5.436 0.427 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.042 5.000 0.882 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.079 4.337 -0.374 1.00 9.13 C ATOM 0 H VAL A 5 -2.310 7.357 0.354 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.316 5.295 2.266 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.244 6.244 -0.296 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.569 4.540 0.046 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.599 5.870 1.228 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.953 4.279 1.695 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.409 3.948 -1.140 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.371 3.529 0.297 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.968 4.754 -0.847 1.00 9.13 H new ATOM 92 N LYS A 6 -0.179 7.269 3.409 1.00 6.04 N ATOM 93 CA LYS A 6 0.743 8.164 4.037 1.00 6.12 C ATOM 94 C LYS A 6 2.078 7.516 3.902 1.00 6.57 C ATOM 95 O LYS A 6 2.322 6.338 4.159 1.00 5.76 O ATOM 96 CB LYS A 6 0.365 8.346 5.516 1.00 7.45 C ATOM 97 CG LYS A 6 -0.705 9.426 5.689 1.00 11.12 C ATOM 98 CD LYS A 6 -0.815 9.763 7.177 1.00 14.54 C ATOM 99 CE LYS A 6 -2.089 10.506 7.584 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.047 11.866 7.001 1.00 20.55 N ATOM 0 H LYS A 6 -0.645 6.641 4.064 1.00 6.04 H new ATOM 0 HA LYS A 6 0.737 9.155 3.582 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.001 7.401 5.919 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.252 8.615 6.090 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.442 10.316 5.117 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.664 9.074 5.308 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.756 8.837 7.748 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.046 10.368 7.461 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.970 9.970 7.230 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.164 10.562 8.670 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.943 12.356 7.197 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.261 12.401 7.423 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.907 11.799 5.973 1.00 20.55 H new ATOM 114 N THR A 7 3.003 8.291 3.309 1.00 7.41 N ATOM 115 CA THR A 7 4.318 7.836 2.982 1.00 7.48 C ATOM 116 C THR A 7 5.173 7.814 4.202 1.00 8.75 C ATOM 117 O THR A 7 4.855 8.282 5.294 1.00 8.58 O ATOM 118 CB THR A 7 4.975 8.431 1.772 1.00 9.61 C ATOM 119 OG1 THR A 7 5.359 9.741 2.162 1.00 11.78 O ATOM 120 CG2 THR A 7 4.012 8.457 0.574 1.00 9.17 C ATOM 0 H THR A 7 2.831 9.262 3.049 1.00 7.41 H new ATOM 0 HA THR A 7 4.184 6.813 2.630 1.00 7.48 H new ATOM 0 HB THR A 7 5.833 7.844 1.445 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.288 9.902 1.896 1.00 11.78 H new ATOM 0 HG21 THR A 7 4.516 8.894 -0.288 1.00 9.17 H new ATOM 0 HG22 THR A 7 3.700 7.440 0.336 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.136 9.056 0.824 1.00 9.17 H new ATOM 128 N LEU A 8 6.436 7.372 4.065 1.00 9.84 N ATOM 129 CA LEU A 8 7.476 7.410 5.045 1.00 14.15 C ATOM 130 C LEU A 8 8.081 8.767 5.154 1.00 17.37 C ATOM 131 O LEU A 8 8.557 9.176 6.212 1.00 17.01 O ATOM 132 CB LEU A 8 8.482 6.261 4.861 1.00 16.63 C ATOM 133 CG LEU A 8 9.630 6.161 5.880 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.048 5.836 7.266 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.621 5.024 5.579 1.00 19.31 C ATOM 0 H LEU A 8 6.755 6.952 3.192 1.00 9.84 H new ATOM 0 HA LEU A 8 7.032 7.226 6.023 1.00 14.15 H new ATOM 0 HB2 LEU A 8 7.929 5.322 4.882 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.920 6.351 3.867 1.00 16.63 H new ATOM 0 HG LEU A 8 10.149 7.118 5.833 1.00 18.88 H new ATOM 0 HD11 LEU A 8 9.857 5.764 7.993 1.00 18.59 H new ATOM 0 HD12 LEU A 8 8.360 6.626 7.566 1.00 18.59 H new ATOM 0 HD13 LEU A 8 8.514 4.887 7.223 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.403 5.013 6.338 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.094 4.070 5.588 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.069 5.182 4.598 1.00 19.31 H new ATOM 147 N THR A 9 8.161 9.545 4.060 1.00 18.33 N ATOM 148 CA THR A 9 8.541 10.923 4.094 1.00 19.24 C ATOM 149 C THR A 9 7.472 11.820 4.617 1.00 19.48 C ATOM 150 O THR A 9 7.774 12.790 5.310 1.00 23.14 O ATOM 151 CB THR A 9 8.981 11.466 2.766 1.00 18.97 C ATOM 152 OG1 THR A 9 8.209 10.966 1.684 1.00 20.24 O ATOM 153 CG2 THR A 9 10.454 11.151 2.454 1.00 19.70 C ATOM 0 H THR A 9 7.954 9.204 3.121 1.00 18.33 H new ATOM 0 HA THR A 9 9.389 10.923 4.779 1.00 19.24 H new ATOM 0 HB THR A 9 8.839 12.543 2.860 1.00 18.97 H new ATOM 0 HG1 THR A 9 8.535 11.351 0.844 1.00 20.24 H new ATOM 0 HG21 THR A 9 10.717 11.568 1.482 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.091 11.591 3.222 1.00 19.70 H new ATOM 0 HG23 THR A 9 10.599 10.071 2.437 1.00 19.70 H new ATOM 161 N GLY A 10 6.205 11.463 4.342 1.00 19.43 N ATOM 162 CA GLY A 10 5.061 12.076 4.941 1.00 18.74 C ATOM 163 C GLY A 10 4.250 12.930 4.028 1.00 17.62 C ATOM 164 O GLY A 10 3.895 14.073 4.313 1.00 19.74 O ATOM 0 H GLY A 10 5.969 10.723 3.681 1.00 19.43 H new ATOM 0 HA2 GLY A 10 4.420 11.294 5.346 1.00 18.74 H new ATOM 0 HA3 GLY A 10 5.393 12.684 5.783 1.00 18.74 H new ATOM 168 N LYS A 11 3.725 12.308 2.957 1.00 13.56 N ATOM 169 CA LYS A 11 2.648 12.778 2.142 1.00 11.91 C ATOM 170 C LYS A 11 1.462 11.876 2.143 1.00 10.18 C ATOM 171 O LYS A 11 1.589 10.657 2.244 1.00 9.10 O ATOM 172 CB LYS A 11 3.137 12.798 0.684 1.00 13.43 C ATOM 173 CG LYS A 11 4.519 13.376 0.373 1.00 16.69 C ATOM 174 CD LYS A 11 4.905 13.107 -1.083 1.00 17.92 C ATOM 175 CE LYS A 11 4.429 14.157 -2.089 1.00 20.81 C ATOM 176 NZ LYS A 11 5.004 13.718 -3.380 1.00 21.93 N ATOM 0 H LYS A 11 4.082 11.407 2.638 1.00 13.56 H new ATOM 0 HA LYS A 11 2.358 13.750 2.540 1.00 11.91 H new ATOM 0 HB2 LYS A 11 3.119 11.772 0.317 1.00 13.43 H new ATOM 0 HB3 LYS A 11 2.407 13.358 0.100 1.00 13.43 H new ATOM 0 HG2 LYS A 11 4.520 14.450 0.562 1.00 16.69 H new ATOM 0 HG3 LYS A 11 5.261 12.934 1.038 1.00 16.69 H new ATOM 0 HD2 LYS A 11 5.991 13.033 -1.146 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.501 12.138 -1.376 1.00 17.92 H new ATOM 0 HE2 LYS A 11 3.341 14.200 -2.133 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.777 15.154 -1.818 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 4.312 13.877 -4.140 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.868 14.262 -3.578 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.236 12.706 -3.330 1.00 21.93 H new ATOM 190 N THR A 12 0.260 12.435 1.916 1.00 9.63 N ATOM 191 CA THR A 12 -0.901 11.611 1.778 1.00 9.85 C ATOM 192 C THR A 12 -1.290 11.566 0.341 1.00 11.66 C ATOM 193 O THR A 12 -1.864 12.480 -0.250 1.00 12.33 O ATOM 194 CB THR A 12 -2.057 12.034 2.634 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.601 11.965 3.977 1.00 10.91 O ATOM 196 CG2 THR A 12 -3.233 11.057 2.466 1.00 9.63 C ATOM 0 H THR A 12 0.092 13.437 1.829 1.00 9.63 H new ATOM 0 HA THR A 12 -0.636 10.616 2.135 1.00 9.85 H new ATOM 0 HB THR A 12 -2.396 13.033 2.359 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.618 12.861 4.375 1.00 10.91 H new ATOM 0 HG21 THR A 12 -4.065 11.377 3.094 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.549 11.044 1.423 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.920 10.056 2.762 1.00 9.63 H new ATOM 204 N ILE A 13 -0.876 10.518 -0.393 1.00 10.42 N ATOM 205 CA ILE A 13 -1.135 10.281 -1.779 1.00 11.84 C ATOM 206 C ILE A 13 -2.401 9.511 -1.935 1.00 10.55 C ATOM 207 O ILE A 13 -2.748 8.726 -1.054 1.00 11.92 O ATOM 208 CB ILE A 13 0.043 9.779 -2.560 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.178 8.261 -2.350 1.00 14.87 C ATOM 210 CG2 ILE A 13 1.235 10.616 -2.066 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.365 7.528 -2.973 1.00 16.46 C ATOM 0 H ILE A 13 -0.313 9.775 0.020 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.299 11.244 -2.262 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.042 9.898 -3.640 1.00 14.86 H new ATOM 0 HG12 ILE A 13 0.206 8.079 -1.276 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.732 7.795 -2.728 1.00 14.87 H new ATOM 0 HG21 ILE A 13 2.139 10.308 -2.592 1.00 17.08 H new ATOM 0 HG22 ILE A 13 1.044 11.671 -2.261 1.00 17.08 H new ATOM 0 HG23 ILE A 13 1.368 10.463 -0.995 1.00 17.08 H new ATOM 0 HD11 ILE A 13 1.307 6.467 -2.728 1.00 16.46 H new ATOM 0 HD12 ILE A 13 1.342 7.652 -4.056 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.294 7.941 -2.580 1.00 16.46 H new ATOM 223 N THR A 14 -3.106 9.716 -3.062 1.00 9.39 N ATOM 224 CA THR A 14 -4.372 9.073 -3.236 1.00 9.63 C ATOM 225 C THR A 14 -4.292 8.040 -4.308 1.00 11.20 C ATOM 226 O THR A 14 -3.869 8.337 -5.423 1.00 11.63 O ATOM 227 CB THR A 14 -5.332 10.119 -3.719 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.327 11.350 -3.011 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.779 9.605 -3.618 1.00 11.66 C ATOM 0 H THR A 14 -2.810 10.311 -3.835 1.00 9.39 H new ATOM 0 HA THR A 14 -4.677 8.610 -2.298 1.00 9.63 H new ATOM 0 HB THR A 14 -4.991 10.308 -4.737 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.985 11.958 -3.407 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.464 10.375 -3.972 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.891 8.710 -4.230 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.008 9.365 -2.580 1.00 11.66 H new ATOM 237 N LEU A 15 -4.657 6.783 -3.996 1.00 8.29 N ATOM 238 CA LEU A 15 -4.664 5.766 -5.000 1.00 9.03 C ATOM 239 C LEU A 15 -6.082 5.468 -5.345 1.00 8.59 C ATOM 240 O LEU A 15 -6.995 5.525 -4.523 1.00 7.79 O ATOM 241 CB LEU A 15 -3.973 4.509 -4.443 1.00 11.08 C ATOM 242 CG LEU A 15 -2.487 4.641 -4.067 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.128 3.298 -3.410 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.728 4.855 -5.387 1.00 15.88 C ATOM 0 H LEU A 15 -4.942 6.475 -3.066 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.130 6.093 -5.892 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.520 4.186 -3.557 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.066 3.714 -5.183 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.248 5.462 -3.391 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.080 3.308 -3.111 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.755 3.144 -2.532 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.294 2.489 -4.121 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.662 4.956 -5.182 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.892 4.000 -6.044 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.091 5.761 -5.873 1.00 15.88 H new ATOM 256 N GLU A 16 -6.200 5.130 -6.642 1.00 11.04 N ATOM 257 CA GLU A 16 -7.291 4.525 -7.339 1.00 11.50 C ATOM 258 C GLU A 16 -7.018 3.093 -7.648 1.00 10.13 C ATOM 259 O GLU A 16 -6.403 2.824 -8.679 1.00 9.83 O ATOM 260 CB GLU A 16 -7.569 5.338 -8.615 1.00 17.22 C ATOM 261 CG GLU A 16 -8.956 5.125 -9.224 1.00 23.33 C ATOM 262 CD GLU A 16 -10.184 5.164 -8.325 1.00 26.99 C ATOM 263 OE1 GLU A 16 -10.470 6.208 -7.680 1.00 28.86 O ATOM 264 OE2 GLU A 16 -10.842 4.102 -8.164 1.00 28.90 O ATOM 0 H GLU A 16 -5.425 5.307 -7.281 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.177 4.536 -6.704 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -7.447 6.397 -8.388 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -6.817 5.083 -9.362 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.093 5.881 -9.997 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.948 4.156 -9.724 1.00 23.33 H new ATOM 271 N VAL A 17 -7.390 2.158 -6.755 1.00 8.99 N ATOM 272 CA VAL A 17 -7.285 0.741 -6.912 1.00 8.85 C ATOM 273 C VAL A 17 -8.613 0.066 -6.905 1.00 8.04 C ATOM 274 O VAL A 17 -9.644 0.504 -6.395 1.00 8.99 O ATOM 275 CB VAL A 17 -6.400 0.112 -5.877 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.027 0.785 -6.042 1.00 12.05 C ATOM 277 CG2 VAL A 17 -6.897 0.275 -4.431 1.00 10.54 C ATOM 0 H VAL A 17 -7.795 2.415 -5.855 1.00 8.99 H new ATOM 0 HA VAL A 17 -6.829 0.596 -7.891 1.00 8.85 H new ATOM 0 HB VAL A 17 -6.377 -0.966 -6.037 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -4.329 0.371 -5.314 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -4.651 0.603 -7.049 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.126 1.858 -5.880 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.198 -0.209 -3.749 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -6.966 1.335 -4.187 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -7.880 -0.185 -4.330 1.00 10.54 H new ATOM 287 N GLU A 18 -8.605 -1.177 -7.417 1.00 7.29 N ATOM 288 CA GLU A 18 -9.708 -2.087 -7.415 1.00 7.08 C ATOM 289 C GLU A 18 -9.521 -2.980 -6.237 1.00 6.45 C ATOM 290 O GLU A 18 -8.380 -3.299 -5.907 1.00 5.28 O ATOM 291 CB GLU A 18 -9.807 -2.919 -8.705 1.00 10.28 C ATOM 292 CG GLU A 18 -10.312 -2.098 -9.893 1.00 12.65 C ATOM 293 CD GLU A 18 -10.440 -2.945 -11.151 1.00 14.15 C ATOM 294 OE1 GLU A 18 -11.459 -3.685 -11.186 1.00 14.33 O ATOM 295 OE2 GLU A 18 -9.535 -2.944 -12.028 1.00 18.17 O ATOM 0 H GLU A 18 -7.775 -1.571 -7.860 1.00 7.29 H new ATOM 0 HA GLU A 18 -10.639 -1.523 -7.360 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -8.827 -3.332 -8.943 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -10.477 -3.763 -8.539 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -11.281 -1.662 -9.648 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -9.628 -1.270 -10.080 1.00 12.65 H new ATOM 302 N PRO A 19 -10.544 -3.460 -5.595 1.00 7.24 N ATOM 303 CA PRO A 19 -10.359 -4.276 -4.431 1.00 7.07 C ATOM 304 C PRO A 19 -9.866 -5.639 -4.779 1.00 6.65 C ATOM 305 O PRO A 19 -9.431 -6.310 -3.844 1.00 6.37 O ATOM 306 CB PRO A 19 -11.772 -4.343 -3.856 1.00 7.61 C ATOM 307 CG PRO A 19 -12.786 -4.163 -4.997 1.00 8.16 C ATOM 308 CD PRO A 19 -11.944 -3.319 -5.966 1.00 7.49 C ATOM 0 HA PRO A 19 -9.614 -3.876 -3.743 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -11.931 -5.300 -3.359 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -11.910 -3.566 -3.104 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -13.097 -5.113 -5.433 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.691 -3.649 -4.674 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -12.100 -3.650 -6.993 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.246 -2.273 -5.919 1.00 7.49 H new ATOM 316 N SER A 20 -9.814 -6.075 -6.050 1.00 6.80 N ATOM 317 CA SER A 20 -9.246 -7.290 -6.547 1.00 6.28 C ATOM 318 C SER A 20 -7.801 -7.192 -6.895 1.00 8.45 C ATOM 319 O SER A 20 -7.169 -8.191 -7.238 1.00 7.26 O ATOM 320 CB SER A 20 -10.025 -7.834 -7.756 1.00 8.57 C ATOM 321 OG SER A 20 -10.149 -6.950 -8.861 1.00 11.13 O ATOM 0 H SER A 20 -10.212 -5.517 -6.806 1.00 6.80 H new ATOM 0 HA SER A 20 -9.328 -7.987 -5.713 1.00 6.28 H new ATOM 0 HB2 SER A 20 -9.537 -8.746 -8.098 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.025 -8.113 -7.424 1.00 8.57 H new ATOM 0 HG SER A 20 -10.657 -7.388 -9.575 1.00 11.13 H new ATOM 327 N ASP A 21 -7.188 -5.999 -6.798 1.00 7.50 N ATOM 328 CA ASP A 21 -5.800 -5.816 -7.089 1.00 7.70 C ATOM 329 C ASP A 21 -5.094 -6.536 -5.992 1.00 7.08 C ATOM 330 O ASP A 21 -5.509 -6.558 -4.835 1.00 8.11 O ATOM 331 CB ASP A 21 -5.408 -4.329 -7.107 1.00 11.00 C ATOM 332 CG ASP A 21 -6.075 -3.534 -8.221 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.583 -4.163 -9.187 1.00 14.36 O ATOM 334 OD2 ASP A 21 -6.032 -2.275 -8.242 1.00 18.03 O ATOM 0 H ASP A 21 -7.666 -5.145 -6.512 1.00 7.50 H new ATOM 0 HA ASP A 21 -5.542 -6.195 -8.078 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -5.668 -3.882 -6.148 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -4.326 -4.249 -7.213 1.00 11.00 H new ATOM 339 N THR A 22 -3.912 -7.073 -6.344 1.00 5.37 N ATOM 340 CA THR A 22 -3.076 -7.636 -5.329 1.00 6.01 C ATOM 341 C THR A 22 -2.197 -6.578 -4.755 1.00 8.01 C ATOM 342 O THR A 22 -1.929 -5.568 -5.404 1.00 8.11 O ATOM 343 CB THR A 22 -2.104 -8.713 -5.710 1.00 8.92 C ATOM 344 OG1 THR A 22 -1.309 -8.276 -6.802 1.00 10.22 O ATOM 345 CG2 THR A 22 -2.813 -9.970 -6.242 1.00 9.65 C ATOM 0 H THR A 22 -3.544 -7.118 -7.294 1.00 5.37 H new ATOM 0 HA THR A 22 -3.823 -8.076 -4.668 1.00 6.01 H new ATOM 0 HB THR A 22 -1.530 -8.931 -4.810 1.00 8.92 H new ATOM 0 HG1 THR A 22 -1.883 -8.110 -7.579 1.00 10.22 H new ATOM 0 HG21 THR A 22 -2.070 -10.723 -6.505 1.00 9.65 H new ATOM 0 HG22 THR A 22 -3.475 -10.367 -5.473 1.00 9.65 H new ATOM 0 HG23 THR A 22 -3.397 -9.712 -7.125 1.00 9.65 H new ATOM 353 N ILE A 23 -1.741 -6.769 -3.505 1.00 8.32 N ATOM 354 CA ILE A 23 -0.839 -5.952 -2.752 1.00 9.92 C ATOM 355 C ILE A 23 0.401 -5.680 -3.532 1.00 10.01 C ATOM 356 O ILE A 23 0.881 -4.552 -3.625 1.00 8.71 O ATOM 357 CB ILE A 23 -0.514 -6.423 -1.366 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.840 -6.574 -0.601 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.428 -5.559 -0.511 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.659 -5.288 -0.504 1.00 12.30 C ATOM 0 H ILE A 23 -2.037 -7.583 -2.966 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.391 -5.027 -2.587 1.00 9.92 H new ATOM 0 HB ILE A 23 0.041 -7.349 -1.519 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.443 -7.339 -1.090 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.626 -6.932 0.406 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.568 -6.028 0.463 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.392 -5.467 -1.011 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.007 -4.569 -0.378 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.577 -5.482 0.050 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.078 -4.525 0.013 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.907 -4.938 -1.506 1.00 12.30 H new ATOM 372 N GLU A 24 0.911 -6.655 -4.306 1.00 9.54 N ATOM 373 CA GLU A 24 2.016 -6.617 -5.213 1.00 11.81 C ATOM 374 C GLU A 24 1.862 -5.670 -6.353 1.00 11.14 C ATOM 375 O GLU A 24 2.700 -4.835 -6.690 1.00 10.62 O ATOM 376 CB GLU A 24 2.148 -8.039 -5.783 1.00 19.24 C ATOM 377 CG GLU A 24 3.413 -8.245 -6.620 1.00 27.76 C ATOM 378 CD GLU A 24 4.667 -7.616 -6.031 1.00 32.92 C ATOM 379 OE1 GLU A 24 5.081 -8.030 -4.915 1.00 36.51 O ATOM 380 OE2 GLU A 24 5.287 -6.746 -6.699 1.00 34.80 O ATOM 0 H GLU A 24 0.492 -7.585 -4.290 1.00 9.54 H new ATOM 0 HA GLU A 24 2.888 -6.269 -4.660 1.00 11.81 H new ATOM 0 HB2 GLU A 24 2.146 -8.754 -4.960 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.275 -8.258 -6.398 1.00 19.24 H new ATOM 0 HG2 GLU A 24 3.582 -9.315 -6.744 1.00 27.76 H new ATOM 0 HG3 GLU A 24 3.247 -7.831 -7.615 1.00 27.76 H new ATOM 387 N ASN A 25 0.631 -5.703 -6.894 1.00 9.43 N ATOM 388 CA ASN A 25 0.220 -4.777 -7.904 1.00 10.96 C ATOM 389 C ASN A 25 0.104 -3.361 -7.456 1.00 9.68 C ATOM 390 O ASN A 25 0.520 -2.402 -8.104 1.00 9.33 O ATOM 391 CB ASN A 25 -1.072 -5.224 -8.609 1.00 16.78 C ATOM 392 CG ASN A 25 -1.039 -6.448 -9.513 1.00 22.31 C ATOM 393 OD1 ASN A 25 -2.027 -7.180 -9.463 1.00 25.66 O ATOM 394 ND2 ASN A 25 0.059 -6.716 -10.269 1.00 24.70 N ATOM 0 H ASN A 25 -0.086 -6.378 -6.629 1.00 9.43 H new ATOM 0 HA ASN A 25 1.042 -4.793 -8.619 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -1.821 -5.406 -7.838 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -1.427 -4.384 -9.206 1.00 16.78 H new ATOM 0 HD21 ASN A 25 0.093 -7.563 -10.836 1.00 24.70 H new ATOM 0 HD22 ASN A 25 0.848 -6.070 -10.269 1.00 24.70 H new ATOM 401 N VAL A 26 -0.355 -3.209 -6.201 1.00 6.52 N ATOM 402 CA VAL A 26 -0.489 -1.930 -5.576 1.00 5.53 C ATOM 403 C VAL A 26 0.802 -1.262 -5.249 1.00 4.42 C ATOM 404 O VAL A 26 0.961 -0.083 -5.561 1.00 3.40 O ATOM 405 CB VAL A 26 -1.287 -2.042 -4.311 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.377 -0.704 -3.557 1.00 7.25 C ATOM 407 CG2 VAL A 26 -2.754 -2.363 -4.644 1.00 8.12 C ATOM 0 H VAL A 26 -0.639 -3.990 -5.609 1.00 6.52 H new ATOM 0 HA VAL A 26 -0.996 -1.313 -6.318 1.00 5.53 H new ATOM 0 HB VAL A 26 -0.787 -2.808 -3.718 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.965 -0.837 -2.649 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.374 -0.366 -3.295 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.856 0.041 -4.193 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.328 -2.443 -3.721 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.170 -1.567 -5.262 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -2.806 -3.307 -5.186 1.00 8.12 H new ATOM 417 N LYS A 27 1.871 -1.955 -4.816 1.00 2.64 N ATOM 418 CA LYS A 27 3.125 -1.280 -4.687 1.00 4.14 C ATOM 419 C LYS A 27 3.688 -0.618 -5.897 1.00 5.58 C ATOM 420 O LYS A 27 4.256 0.472 -5.855 1.00 4.11 O ATOM 421 CB LYS A 27 4.144 -2.304 -4.161 1.00 3.97 C ATOM 422 CG LYS A 27 3.732 -2.797 -2.772 1.00 7.45 C ATOM 423 CD LYS A 27 4.764 -3.809 -2.269 1.00 9.02 C ATOM 424 CE LYS A 27 4.764 -5.104 -3.084 1.00 12.90 C ATOM 425 NZ LYS A 27 5.691 -6.206 -2.741 1.00 15.47 N ATOM 0 H LYS A 27 1.872 -2.943 -4.564 1.00 2.64 H new ATOM 0 HA LYS A 27 2.928 -0.446 -4.013 1.00 4.14 H new ATOM 0 HB2 LYS A 27 4.211 -3.147 -4.849 1.00 3.97 H new ATOM 0 HB3 LYS A 27 5.134 -1.851 -4.115 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.662 -1.957 -2.081 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.745 -3.257 -2.815 1.00 7.45 H new ATOM 0 HD2 LYS A 27 5.756 -3.360 -2.307 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.560 -4.042 -1.224 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.753 -5.510 -3.044 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.958 -4.832 -4.121 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.490 -7.029 -3.344 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 6.672 -5.895 -2.894 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.563 -6.469 -1.743 1.00 15.47 H new ATOM 439 N ALA A 28 3.566 -1.342 -7.024 1.00 6.61 N ATOM 440 CA ALA A 28 3.866 -0.816 -8.320 1.00 7.74 C ATOM 441 C ALA A 28 3.162 0.433 -8.726 1.00 9.17 C ATOM 442 O ALA A 28 3.737 1.201 -9.495 1.00 11.45 O ATOM 443 CB ALA A 28 3.598 -1.912 -9.365 1.00 7.68 C ATOM 0 H ALA A 28 3.253 -2.313 -7.035 1.00 6.61 H new ATOM 0 HA ALA A 28 4.913 -0.520 -8.264 1.00 7.74 H new ATOM 0 HB1 ALA A 28 3.822 -1.528 -10.360 1.00 7.68 H new ATOM 0 HB2 ALA A 28 4.231 -2.775 -9.158 1.00 7.68 H new ATOM 0 HB3 ALA A 28 2.551 -2.211 -9.318 1.00 7.68 H new ATOM 449 N LYS A 29 1.918 0.688 -8.284 1.00 8.96 N ATOM 450 CA LYS A 29 1.291 1.971 -8.363 1.00 7.90 C ATOM 451 C LYS A 29 1.766 3.135 -7.562 1.00 6.92 C ATOM 452 O LYS A 29 1.954 4.233 -8.085 1.00 6.87 O ATOM 453 CB LYS A 29 -0.204 1.762 -8.070 1.00 10.28 C ATOM 454 CG LYS A 29 -1.052 2.747 -8.877 1.00 14.94 C ATOM 455 CD LYS A 29 -2.563 2.517 -8.940 1.00 19.69 C ATOM 456 CE LYS A 29 -3.239 3.270 -10.088 1.00 22.63 C ATOM 457 NZ LYS A 29 -3.005 2.556 -11.364 1.00 24.98 N ATOM 0 H LYS A 29 1.327 -0.025 -7.856 1.00 8.96 H new ATOM 0 HA LYS A 29 1.567 2.294 -9.367 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.490 0.740 -8.318 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.394 1.897 -7.005 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.884 3.744 -8.469 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -0.673 2.753 -9.899 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -2.758 1.450 -9.049 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.011 2.828 -7.996 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.309 3.354 -9.899 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -2.845 4.284 -10.151 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -3.536 3.024 -12.126 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -1.990 2.571 -11.589 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -3.325 1.570 -11.274 1.00 24.98 H new ATOM 471 N ILE A 30 2.219 2.898 -6.318 1.00 4.57 N ATOM 472 CA ILE A 30 3.069 3.756 -5.552 1.00 5.58 C ATOM 473 C ILE A 30 4.380 4.102 -6.168 1.00 7.26 C ATOM 474 O ILE A 30 4.772 5.264 -6.065 1.00 9.46 O ATOM 475 CB ILE A 30 3.152 3.224 -4.152 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.747 2.987 -3.573 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.018 4.120 -3.250 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.638 2.234 -2.248 1.00 2.00 C ATOM 0 H ILE A 30 1.973 2.047 -5.813 1.00 4.57 H new ATOM 0 HA ILE A 30 2.603 4.741 -5.530 1.00 5.58 H new ATOM 0 HB ILE A 30 3.653 2.257 -4.188 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.269 3.958 -3.446 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.166 2.441 -4.317 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.052 3.700 -2.245 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.029 4.176 -3.655 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.588 5.121 -3.210 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.589 2.143 -1.966 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.071 1.240 -2.358 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.176 2.781 -1.473 1.00 2.00 H new ATOM 490 N GLN A 31 5.092 3.170 -6.827 1.00 7.06 N ATOM 491 CA GLN A 31 6.158 3.421 -7.746 1.00 8.67 C ATOM 492 C GLN A 31 5.856 4.287 -8.920 1.00 10.90 C ATOM 493 O GLN A 31 6.642 5.223 -9.057 1.00 9.63 O ATOM 494 CB GLN A 31 6.705 2.079 -8.260 1.00 9.12 C ATOM 495 CG GLN A 31 7.998 2.126 -9.077 1.00 10.76 C ATOM 496 CD GLN A 31 8.376 0.874 -9.856 1.00 13.78 C ATOM 497 OE1 GLN A 31 9.428 0.284 -9.616 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.551 0.364 -10.809 1.00 14.76 N ATOM 0 H GLN A 31 4.909 2.174 -6.709 1.00 7.06 H new ATOM 0 HA GLN A 31 6.881 3.990 -7.161 1.00 8.67 H new ATOM 0 HB2 GLN A 31 6.870 1.428 -7.401 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.934 1.610 -8.872 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.921 2.953 -9.783 1.00 10.76 H new ATOM 0 HG3 GLN A 31 8.818 2.362 -8.398 1.00 10.76 H new ATOM 0 HE21 GLN A 31 6.672 0.834 -11.027 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.811 -0.488 -11.305 1.00 14.76 H new ATOM 507 N ASP A 32 4.672 4.113 -9.533 1.00 10.93 N ATOM 508 CA ASP A 32 4.249 4.915 -10.639 1.00 14.01 C ATOM 509 C ASP A 32 4.039 6.335 -10.241 1.00 14.04 C ATOM 510 O ASP A 32 4.522 7.230 -10.933 1.00 13.39 O ATOM 511 CB ASP A 32 2.998 4.180 -11.151 1.00 18.01 C ATOM 512 CG ASP A 32 2.719 4.613 -12.583 1.00 24.33 C ATOM 513 OD1 ASP A 32 3.456 4.175 -13.507 1.00 25.17 O ATOM 514 OD2 ASP A 32 1.816 5.450 -12.850 1.00 26.29 O ATOM 0 H ASP A 32 3.995 3.402 -9.256 1.00 10.93 H new ATOM 0 HA ASP A 32 4.988 5.011 -11.434 1.00 14.01 H new ATOM 0 HB2 ASP A 32 3.151 3.102 -11.107 1.00 18.01 H new ATOM 0 HB3 ASP A 32 2.142 4.407 -10.516 1.00 18.01 H new ATOM 519 N LYS A 33 3.495 6.554 -9.031 1.00 14.22 N ATOM 520 CA LYS A 33 3.236 7.824 -8.428 1.00 14.00 C ATOM 521 C LYS A 33 4.440 8.547 -7.930 1.00 12.37 C ATOM 522 O LYS A 33 4.741 9.632 -8.427 1.00 12.17 O ATOM 523 CB LYS A 33 2.237 7.650 -7.271 1.00 18.62 C ATOM 524 CG LYS A 33 0.809 7.415 -7.768 1.00 24.00 C ATOM 525 CD LYS A 33 -0.256 8.027 -6.854 1.00 27.61 C ATOM 526 CE LYS A 33 -0.198 9.555 -6.823 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.879 10.071 -8.032 1.00 30.06 N ATOM 0 H LYS A 33 3.215 5.781 -8.428 1.00 14.22 H new ATOM 0 HA LYS A 33 2.828 8.444 -9.226 1.00 14.00 H new ATOM 0 HB2 LYS A 33 2.546 6.809 -6.650 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.258 8.538 -6.639 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.705 7.836 -8.768 1.00 24.00 H new ATOM 0 HG3 LYS A 33 0.633 6.343 -7.853 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.243 7.712 -7.191 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.126 7.642 -5.843 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.682 9.935 -5.923 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.837 9.895 -6.796 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.850 11.111 -8.030 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.397 9.713 -8.881 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.869 9.752 -8.036 1.00 30.06 H new ATOM 541 N GLU A 34 5.030 8.017 -6.845 1.00 10.11 N ATOM 542 CA GLU A 34 6.094 8.547 -6.050 1.00 10.07 C ATOM 543 C GLU A 34 7.511 8.195 -6.351 1.00 9.32 C ATOM 544 O GLU A 34 8.452 8.790 -5.829 1.00 11.61 O ATOM 545 CB GLU A 34 5.750 8.220 -4.587 1.00 14.77 C ATOM 546 CG GLU A 34 4.489 8.859 -4.001 1.00 18.75 C ATOM 547 CD GLU A 34 4.552 10.378 -4.074 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.275 11.002 -3.251 1.00 25.19 O ATOM 549 OE2 GLU A 34 4.006 10.995 -5.027 1.00 21.95 O ATOM 0 H GLU A 34 4.724 7.113 -6.486 1.00 10.11 H new ATOM 0 HA GLU A 34 6.116 9.608 -6.300 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.652 7.138 -4.498 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.597 8.516 -3.968 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.613 8.503 -4.543 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.370 8.548 -2.963 1.00 18.75 H new ATOM 556 N GLY A 35 7.799 7.236 -7.248 1.00 7.22 N ATOM 557 CA GLY A 35 9.132 6.880 -7.625 1.00 6.29 C ATOM 558 C GLY A 35 9.771 6.092 -6.534 1.00 6.93 C ATOM 559 O GLY A 35 10.970 6.298 -6.348 1.00 7.41 O ATOM 0 H GLY A 35 7.082 6.691 -7.726 1.00 7.22 H new ATOM 0 HA2 GLY A 35 9.116 6.297 -8.546 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.715 7.779 -7.827 1.00 6.29 H new ATOM 563 N ILE A 36 9.003 5.258 -5.809 1.00 5.86 N ATOM 564 CA ILE A 36 9.494 4.474 -4.719 1.00 6.07 C ATOM 565 C ILE A 36 9.568 3.040 -5.119 1.00 6.36 C ATOM 566 O ILE A 36 8.579 2.447 -5.547 1.00 6.18 O ATOM 567 CB ILE A 36 8.577 4.490 -3.533 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.227 5.929 -3.116 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.163 3.674 -2.368 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.245 6.043 -1.951 1.00 9.49 C ATOM 0 H ILE A 36 8.008 5.125 -5.988 1.00 5.86 H new ATOM 0 HA ILE A 36 10.462 4.905 -4.463 1.00 6.07 H new ATOM 0 HB ILE A 36 7.643 4.009 -3.823 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.147 6.448 -2.848 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.808 6.449 -3.977 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.477 3.703 -1.522 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.306 2.641 -2.683 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.122 4.099 -2.072 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.061 7.095 -1.732 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.306 5.559 -2.218 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.666 5.557 -1.071 1.00 9.49 H new ATOM 582 N PRO A 37 10.700 2.407 -5.033 1.00 8.65 N ATOM 583 CA PRO A 37 10.871 1.019 -5.350 1.00 9.18 C ATOM 584 C PRO A 37 9.982 0.086 -4.602 1.00 9.85 C ATOM 585 O PRO A 37 10.138 0.053 -3.383 1.00 8.51 O ATOM 586 CB PRO A 37 12.342 0.642 -5.189 1.00 11.42 C ATOM 587 CG PRO A 37 13.045 1.997 -5.011 1.00 9.27 C ATOM 588 CD PRO A 37 11.959 3.020 -4.638 1.00 8.33 C ATOM 0 HA PRO A 37 10.561 0.900 -6.388 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.498 -0.007 -4.327 1.00 11.42 H new ATOM 0 HB3 PRO A 37 12.717 0.107 -6.062 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.804 1.938 -4.231 1.00 9.27 H new ATOM 0 HG3 PRO A 37 13.553 2.291 -5.929 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.973 3.236 -3.570 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.115 3.966 -5.157 1.00 8.33 H new ATOM 596 N PRO A 38 9.222 -0.821 -5.139 1.00 8.71 N ATOM 597 CA PRO A 38 8.501 -1.826 -4.414 1.00 9.08 C ATOM 598 C PRO A 38 9.313 -2.818 -3.655 1.00 9.28 C ATOM 599 O PRO A 38 8.759 -3.552 -2.838 1.00 6.50 O ATOM 600 CB PRO A 38 7.760 -2.565 -5.526 1.00 10.31 C ATOM 601 CG PRO A 38 7.374 -1.469 -6.532 1.00 10.81 C ATOM 602 CD PRO A 38 8.691 -0.678 -6.487 1.00 12.00 C ATOM 0 HA PRO A 38 7.900 -1.347 -3.641 1.00 9.08 H new ATOM 0 HB2 PRO A 38 8.393 -3.322 -5.989 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.878 -3.078 -5.142 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.145 -1.861 -7.523 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.512 -0.882 -6.214 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.397 -1.061 -7.223 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.520 0.372 -6.726 1.00 12.00 H new ATOM 610 N ASP A 39 10.649 -2.815 -3.814 1.00 11.20 N ATOM 611 CA ASP A 39 11.440 -3.515 -2.850 1.00 14.96 C ATOM 612 C ASP A 39 11.506 -2.956 -1.470 1.00 13.99 C ATOM 613 O ASP A 39 11.572 -3.655 -0.460 1.00 13.75 O ATOM 614 CB ASP A 39 12.895 -3.505 -3.348 1.00 24.16 C ATOM 615 CG ASP A 39 12.944 -4.185 -4.709 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.861 -5.441 -4.771 1.00 34.22 O ATOM 617 OD2 ASP A 39 12.966 -3.470 -5.746 1.00 35.55 O ATOM 0 H ASP A 39 11.160 -2.355 -4.567 1.00 11.20 H new ATOM 0 HA ASP A 39 10.952 -4.487 -2.770 1.00 14.96 H new ATOM 0 HB2 ASP A 39 13.263 -2.482 -3.422 1.00 24.16 H new ATOM 0 HB3 ASP A 39 13.541 -4.025 -2.641 1.00 24.16 H new ATOM 622 N GLN A 40 11.364 -1.631 -1.288 1.00 11.60 N ATOM 623 CA GLN A 40 11.575 -1.007 -0.018 1.00 10.76 C ATOM 624 C GLN A 40 10.280 -0.698 0.652 1.00 8.01 C ATOM 625 O GLN A 40 10.287 -0.134 1.745 1.00 8.96 O ATOM 626 CB GLN A 40 12.346 0.300 -0.268 1.00 11.14 C ATOM 627 CG GLN A 40 13.607 0.103 -1.112 1.00 14.85 C ATOM 628 CD GLN A 40 14.246 1.464 -1.344 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.677 2.555 -1.364 1.00 20.52 O ATOM 630 NE2 GLN A 40 15.579 1.357 -1.590 1.00 18.16 N ATOM 0 H GLN A 40 11.099 -0.984 -2.031 1.00 11.60 H new ATOM 0 HA GLN A 40 12.133 -1.680 0.633 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.689 1.012 -0.768 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.623 0.740 0.690 1.00 11.14 H new ATOM 0 HG2 GLN A 40 14.305 -0.562 -0.602 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.357 -0.366 -2.064 1.00 14.85 H new ATOM 0 HE21 GLN A 40 16.030 0.442 -1.568 1.00 18.16 H new ATOM 0 HE22 GLN A 40 16.128 2.191 -1.796 1.00 18.16 H new ATOM 639 N GLN A 41 9.150 -1.109 0.051 1.00 6.52 N ATOM 640 CA GLN A 41 7.844 -0.765 0.523 1.00 3.87 C ATOM 641 C GLN A 41 7.252 -1.805 1.410 1.00 4.79 C ATOM 642 O GLN A 41 7.184 -3.000 1.127 1.00 6.34 O ATOM 643 CB GLN A 41 6.781 -0.632 -0.581 1.00 4.20 C ATOM 644 CG GLN A 41 6.976 0.659 -1.379 1.00 3.20 C ATOM 645 CD GLN A 41 5.872 0.955 -2.384 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.660 0.813 -2.230 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.375 1.436 -3.552 1.00 7.13 N ATOM 0 H GLN A 41 9.143 -1.695 -0.784 1.00 6.52 H new ATOM 0 HA GLN A 41 8.039 0.182 1.026 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.838 -1.490 -1.251 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.786 -0.641 -0.136 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.048 1.494 -0.682 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.927 0.603 -1.909 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.382 1.549 -3.665 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.745 1.684 -4.315 1.00 7.13 H new ATOM 656 N ARG A 42 6.690 -1.296 2.520 1.00 5.73 N ATOM 657 CA ARG A 42 5.864 -2.079 3.386 1.00 6.97 C ATOM 658 C ARG A 42 4.612 -1.355 3.740 1.00 7.15 C ATOM 659 O ARG A 42 4.645 -0.377 4.487 1.00 7.33 O ATOM 660 CB ARG A 42 6.792 -2.203 4.606 1.00 13.23 C ATOM 661 CG ARG A 42 6.142 -2.856 5.827 1.00 21.27 C ATOM 662 CD ARG A 42 7.102 -3.141 6.984 1.00 26.14 C ATOM 663 NE ARG A 42 7.924 -4.310 6.564 1.00 32.26 N ATOM 664 CZ ARG A 42 8.906 -4.974 7.241 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.379 -4.620 8.471 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.403 -6.102 6.654 1.00 36.39 N ATOM 0 H ARG A 42 6.810 -0.329 2.821 1.00 5.73 H new ATOM 0 HA ARG A 42 5.526 -3.025 2.963 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.670 -2.783 4.322 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.143 -1.209 4.884 1.00 13.23 H new ATOM 0 HG2 ARG A 42 5.343 -2.208 6.187 1.00 21.27 H new ATOM 0 HG3 ARG A 42 5.678 -3.793 5.518 1.00 21.27 H new ATOM 0 HD2 ARG A 42 7.732 -2.276 7.189 1.00 26.14 H new ATOM 0 HD3 ARG A 42 6.553 -3.360 7.900 1.00 26.14 H new ATOM 0 HE ARG A 42 7.723 -4.668 5.630 1.00 32.26 H new ATOM 0 HH11 ARG A 42 8.995 -3.806 8.950 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.117 -5.170 8.911 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.039 -6.410 5.752 1.00 36.39 H new ATOM 0 HH22 ARG A 42 10.138 -6.636 7.117 1.00 36.39 H new ATOM 680 N LEU A 43 3.494 -1.822 3.155 1.00 4.65 N ATOM 681 CA LEU A 43 2.183 -1.379 3.515 1.00 3.51 C ATOM 682 C LEU A 43 1.751 -1.875 4.852 1.00 5.56 C ATOM 683 O LEU A 43 1.640 -3.097 4.927 1.00 4.19 O ATOM 684 CB LEU A 43 1.171 -1.597 2.377 1.00 3.74 C ATOM 685 CG LEU A 43 1.430 -0.850 1.057 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.516 -1.384 -0.058 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.164 0.655 1.229 1.00 9.55 C ATOM 0 H LEU A 43 3.502 -2.524 2.415 1.00 4.65 H new ATOM 0 HA LEU A 43 2.226 -0.298 3.645 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.131 -2.664 2.160 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.185 -1.309 2.741 1.00 3.74 H new ATOM 0 HG LEU A 43 2.473 -1.012 0.785 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.715 -0.842 -0.983 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.710 -2.446 -0.210 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.526 -1.243 0.227 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.352 1.168 0.286 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.127 0.810 1.525 1.00 9.55 H new ATOM 0 HD23 LEU A 43 1.825 1.056 1.998 1.00 9.55 H new ATOM 699 N ILE A 44 1.488 -1.060 5.889 1.00 4.58 N ATOM 700 CA ILE A 44 0.899 -1.607 7.072 1.00 5.55 C ATOM 701 C ILE A 44 -0.520 -1.197 7.269 1.00 5.46 C ATOM 702 O ILE A 44 -0.816 -0.024 7.048 1.00 6.04 O ATOM 703 CB ILE A 44 1.665 -1.044 8.232 1.00 6.80 C ATOM 704 CG1 ILE A 44 3.125 -1.522 8.154 1.00 10.31 C ATOM 705 CG2 ILE A 44 1.068 -1.437 9.593 1.00 7.39 C ATOM 706 CD1 ILE A 44 3.313 -3.024 8.360 1.00 13.90 C ATOM 0 H ILE A 44 1.675 -0.058 5.912 1.00 4.58 H new ATOM 0 HA ILE A 44 0.930 -2.693 6.989 1.00 5.55 H new ATOM 0 HB ILE A 44 1.607 0.042 8.161 1.00 6.80 H new ATOM 0 HG12 ILE A 44 3.532 -1.248 7.181 1.00 10.31 H new ATOM 0 HG13 ILE A 44 3.709 -0.989 8.905 1.00 10.31 H new ATOM 0 HG21 ILE A 44 1.666 -1.000 10.393 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.045 -1.068 9.662 1.00 7.39 H new ATOM 0 HG23 ILE A 44 1.069 -2.523 9.691 1.00 7.39 H new ATOM 0 HD11 ILE A 44 4.372 -3.271 8.288 1.00 13.90 H new ATOM 0 HD12 ILE A 44 2.940 -3.306 9.345 1.00 13.90 H new ATOM 0 HD13 ILE A 44 2.761 -3.568 7.594 1.00 13.90 H new ATOM 718 N PHE A 45 -1.574 -1.948 7.637 1.00 6.75 N ATOM 719 CA PHE A 45 -2.880 -1.442 7.923 1.00 4.70 C ATOM 720 C PHE A 45 -3.193 -1.622 9.369 1.00 6.34 C ATOM 721 O PHE A 45 -3.307 -2.738 9.874 1.00 5.45 O ATOM 722 CB PHE A 45 -3.953 -1.988 6.966 1.00 5.51 C ATOM 723 CG PHE A 45 -5.313 -1.460 7.270 1.00 5.98 C ATOM 724 CD1 PHE A 45 -5.657 -0.173 6.932 1.00 6.86 C ATOM 725 CD2 PHE A 45 -6.241 -2.248 7.909 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.977 0.201 7.019 1.00 6.68 C ATOM 727 CE2 PHE A 45 -7.514 -1.787 8.150 1.00 6.64 C ATOM 728 CZ PHE A 45 -7.923 -0.576 7.645 1.00 6.84 C ATOM 0 H PHE A 45 -1.511 -2.961 7.740 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.888 -0.369 7.732 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -3.687 -1.728 5.941 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -3.968 -3.076 7.025 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.906 0.530 6.605 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -5.966 -3.243 8.226 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -7.282 1.139 6.580 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -8.197 -2.380 8.740 1.00 6.64 H new ATOM 0 HZ PHE A 45 -8.948 -0.247 7.736 1.00 6.84 H new ATOM 738 N ALA A 46 -3.356 -0.561 10.180 1.00 6.53 N ATOM 739 CA ALA A 46 -3.460 -0.579 11.606 1.00 7.15 C ATOM 740 C ALA A 46 -2.199 -0.969 12.298 1.00 9.00 C ATOM 741 O ALA A 46 -1.385 -0.090 12.575 1.00 11.15 O ATOM 742 CB ALA A 46 -4.779 -1.217 12.073 1.00 8.99 C ATOM 0 H ALA A 46 -3.420 0.386 9.806 1.00 6.53 H new ATOM 0 HA ALA A 46 -3.555 0.447 11.960 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -4.820 -1.212 13.162 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -5.619 -0.648 11.676 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -4.834 -2.244 11.713 1.00 8.99 H new ATOM 748 N GLY A 47 -1.940 -2.269 12.525 1.00 9.35 N ATOM 749 CA GLY A 47 -0.669 -2.832 12.861 1.00 11.68 C ATOM 750 C GLY A 47 -0.333 -3.991 11.987 1.00 11.14 C ATOM 751 O GLY A 47 0.643 -4.694 12.243 1.00 13.93 O ATOM 0 H GLY A 47 -2.672 -2.977 12.469 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.104 -2.069 12.767 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -0.676 -3.152 13.903 1.00 11.68 H new ATOM 755 N LYS A 48 -1.162 -4.292 10.971 1.00 10.47 N ATOM 756 CA LYS A 48 -0.954 -5.509 10.250 1.00 8.82 C ATOM 757 C LYS A 48 -0.087 -5.351 9.049 1.00 7.68 C ATOM 758 O LYS A 48 -0.413 -4.570 8.157 1.00 6.47 O ATOM 759 CB LYS A 48 -2.295 -6.162 9.872 1.00 9.74 C ATOM 760 CG LYS A 48 -2.149 -7.395 8.978 1.00 14.14 C ATOM 761 CD LYS A 48 -1.535 -8.605 9.684 1.00 16.32 C ATOM 762 CE LYS A 48 -1.348 -9.817 8.769 1.00 20.04 C ATOM 763 NZ LYS A 48 -0.949 -11.010 9.549 1.00 23.92 N ATOM 0 H LYS A 48 -1.946 -3.719 10.658 1.00 10.47 H new ATOM 0 HA LYS A 48 -0.415 -6.170 10.929 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -2.821 -6.446 10.784 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -2.916 -5.426 9.362 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -3.131 -7.671 8.594 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -1.531 -7.137 8.118 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -0.568 -8.321 10.099 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -2.171 -8.888 10.522 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -2.276 -10.021 8.234 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -0.589 -9.598 8.018 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -0.828 -11.820 8.908 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -0.052 -10.820 10.040 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -1.686 -11.230 10.249 1.00 23.92 H new ATOM 777 N GLN A 49 1.013 -6.123 9.104 1.00 8.89 N ATOM 778 CA GLN A 49 1.861 -6.189 7.954 1.00 7.18 C ATOM 779 C GLN A 49 1.373 -7.154 6.929 1.00 8.23 C ATOM 780 O GLN A 49 1.261 -8.373 7.045 1.00 9.70 O ATOM 781 CB GLN A 49 3.281 -6.534 8.434 1.00 11.67 C ATOM 782 CG GLN A 49 4.344 -6.752 7.355 1.00 15.82 C ATOM 783 CD GLN A 49 5.618 -7.348 7.937 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.193 -6.640 8.762 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.100 -8.544 7.504 1.00 20.67 N ATOM 0 H GLN A 49 1.307 -6.679 9.907 1.00 8.89 H new ATOM 0 HA GLN A 49 1.858 -5.221 7.452 1.00 7.18 H new ATOM 0 HB2 GLN A 49 3.622 -5.732 9.088 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.224 -7.438 9.041 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.951 -7.415 6.584 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.573 -5.802 6.872 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.576 -9.086 6.817 1.00 20.67 H new ATOM 0 HE22 GLN A 49 6.985 -8.898 7.866 1.00 20.67 H new ATOM 794 N LEU A 50 0.945 -6.582 5.790 1.00 6.51 N ATOM 795 CA LEU A 50 0.300 -7.199 4.672 1.00 7.41 C ATOM 796 C LEU A 50 1.263 -8.076 3.948 1.00 8.27 C ATOM 797 O LEU A 50 2.464 -7.818 4.000 1.00 8.34 O ATOM 798 CB LEU A 50 -0.353 -6.213 3.689 1.00 7.13 C ATOM 799 CG LEU A 50 -1.091 -4.958 4.185 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.699 -4.026 3.124 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.244 -5.338 5.129 1.00 8.14 C ATOM 0 H LEU A 50 1.065 -5.580 5.639 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.517 -7.787 5.090 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.431 -5.873 3.012 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.064 -6.784 3.092 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.285 -4.405 4.668 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.187 -3.185 3.616 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.910 -3.656 2.470 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.432 -4.576 2.533 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.751 -4.434 5.467 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.953 -5.975 4.600 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.847 -5.875 5.991 1.00 8.14 H new ATOM 813 N GLU A 51 0.797 -9.256 3.501 1.00 9.43 N ATOM 814 CA GLU A 51 1.555 -10.072 2.604 1.00 11.90 C ATOM 815 C GLU A 51 1.383 -9.575 1.210 1.00 11.49 C ATOM 816 O GLU A 51 0.474 -8.769 1.016 1.00 9.88 O ATOM 817 CB GLU A 51 1.227 -11.558 2.832 1.00 16.56 C ATOM 818 CG GLU A 51 1.282 -12.080 4.269 1.00 26.06 C ATOM 819 CD GLU A 51 0.784 -13.485 4.578 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.061 -14.028 3.818 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.260 -14.043 5.602 1.00 32.13 O ATOM 0 H GLU A 51 -0.109 -9.646 3.762 1.00 9.43 H new ATOM 0 HA GLU A 51 2.624 -9.995 2.803 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.226 -11.745 2.444 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.917 -12.151 2.232 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.320 -12.022 4.598 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.712 -11.388 4.889 1.00 26.06 H new ATOM 828 N ASP A 52 2.301 -9.836 0.263 1.00 12.71 N ATOM 829 CA ASP A 52 2.291 -9.162 -0.998 1.00 16.56 C ATOM 830 C ASP A 52 1.358 -9.807 -1.964 1.00 15.83 C ATOM 831 O ASP A 52 0.677 -9.133 -2.735 1.00 17.21 O ATOM 832 CB ASP A 52 3.716 -9.177 -1.579 1.00 21.05 C ATOM 833 CG ASP A 52 4.589 -8.420 -0.589 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.531 -7.162 -0.536 1.00 28.37 O ATOM 835 OD2 ASP A 52 5.078 -9.085 0.363 1.00 25.82 O ATOM 0 H ASP A 52 3.053 -10.516 0.371 1.00 12.71 H new ATOM 0 HA ASP A 52 1.948 -8.140 -0.837 1.00 16.56 H new ATOM 0 HB2 ASP A 52 4.072 -10.199 -1.709 1.00 21.05 H new ATOM 0 HB3 ASP A 52 3.741 -8.703 -2.560 1.00 21.05 H new ATOM 840 N GLY A 53 1.346 -11.138 -2.159 1.00 15.00 N ATOM 841 CA GLY A 53 0.467 -11.884 -3.005 1.00 11.77 C ATOM 842 C GLY A 53 -0.889 -12.207 -2.480 1.00 11.10 C ATOM 843 O GLY A 53 -1.528 -13.232 -2.712 1.00 11.25 O ATOM 0 H GLY A 53 2.012 -11.744 -1.681 1.00 15.00 H new ATOM 0 HA2 GLY A 53 0.343 -11.328 -3.934 1.00 11.77 H new ATOM 0 HA3 GLY A 53 0.961 -12.822 -3.258 1.00 11.77 H new ATOM 847 N ARG A 54 -1.469 -11.239 -1.747 1.00 8.53 N ATOM 848 CA ARG A 54 -2.869 -11.261 -1.459 1.00 9.05 C ATOM 849 C ARG A 54 -3.565 -10.131 -2.137 1.00 8.96 C ATOM 850 O ARG A 54 -2.924 -9.257 -2.719 1.00 11.60 O ATOM 851 CB ARG A 54 -3.111 -11.179 0.057 1.00 7.97 C ATOM 852 CG ARG A 54 -2.797 -12.470 0.817 1.00 9.62 C ATOM 853 CD ARG A 54 -3.062 -12.305 2.315 1.00 12.20 C ATOM 854 NE ARG A 54 -2.540 -13.522 2.997 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.149 -14.721 2.763 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.417 -14.977 2.329 1.00 23.38 N ATOM 857 NH2 ARG A 54 -2.351 -15.767 3.126 1.00 25.50 N ATOM 0 H ARG A 54 -0.968 -10.442 -1.354 1.00 8.53 H new ATOM 0 HA ARG A 54 -3.273 -12.202 -1.834 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.502 -10.373 0.467 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.153 -10.912 0.233 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.406 -13.284 0.424 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -1.755 -12.746 0.657 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.569 -11.411 2.696 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.129 -12.186 2.505 1.00 12.20 H new ATOM 0 HE ARG A 54 -1.741 -13.460 3.628 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -5.054 -14.205 2.132 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -4.728 -15.940 2.201 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.426 -15.591 3.517 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -2.680 -16.725 3.006 1.00 25.50 H new ATOM 871 N THR A 55 -4.899 -10.021 -2.005 1.00 9.05 N ATOM 872 CA THR A 55 -5.547 -8.822 -2.438 1.00 9.03 C ATOM 873 C THR A 55 -5.874 -7.930 -1.291 1.00 8.15 C ATOM 874 O THR A 55 -5.695 -8.292 -0.129 1.00 5.91 O ATOM 875 CB THR A 55 -6.828 -9.027 -3.191 1.00 11.15 C ATOM 876 OG1 THR A 55 -7.866 -9.639 -2.440 1.00 11.95 O ATOM 877 CG2 THR A 55 -6.479 -9.873 -4.428 1.00 11.71 C ATOM 0 H THR A 55 -5.512 -10.736 -1.612 1.00 9.05 H new ATOM 0 HA THR A 55 -4.815 -8.378 -3.112 1.00 9.03 H new ATOM 0 HB THR A 55 -7.233 -8.050 -3.454 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.721 -9.212 -2.656 1.00 11.95 H new ATOM 0 HG21 THR A 55 -7.381 -10.052 -5.013 1.00 11.71 H new ATOM 0 HG22 THR A 55 -5.750 -9.341 -5.039 1.00 11.71 H new ATOM 0 HG23 THR A 55 -6.058 -10.827 -4.110 1.00 11.71 H new ATOM 885 N LEU A 56 -6.369 -6.719 -1.605 1.00 6.91 N ATOM 886 CA LEU A 56 -6.891 -5.826 -0.618 1.00 8.29 C ATOM 887 C LEU A 56 -8.150 -6.337 -0.007 1.00 8.05 C ATOM 888 O LEU A 56 -8.416 -6.177 1.183 1.00 10.17 O ATOM 889 CB LEU A 56 -7.215 -4.472 -1.272 1.00 6.60 C ATOM 890 CG LEU A 56 -5.927 -3.670 -1.523 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.284 -2.575 -2.542 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.580 -2.837 -0.278 1.00 9.85 C ATOM 0 H LEU A 56 -6.407 -6.355 -2.557 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.131 -5.730 0.158 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -7.739 -4.633 -2.214 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -7.885 -3.902 -0.628 1.00 6.60 H new ATOM 0 HG LEU A 56 -5.134 -4.358 -1.815 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.400 -1.974 -2.756 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -6.640 -3.037 -3.463 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.066 -1.936 -2.131 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.667 -2.271 -0.462 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.397 -2.148 -0.062 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.430 -3.501 0.574 1.00 9.85 H new ATOM 904 N SER A 57 -8.890 -7.161 -0.770 1.00 8.92 N ATOM 905 CA SER A 57 -10.166 -7.694 -0.406 1.00 9.00 C ATOM 906 C SER A 57 -10.034 -8.894 0.468 1.00 9.44 C ATOM 907 O SER A 57 -10.973 -9.161 1.216 1.00 10.91 O ATOM 908 CB SER A 57 -11.051 -7.932 -1.642 1.00 10.32 C ATOM 909 OG SER A 57 -10.517 -8.865 -2.569 1.00 13.59 O ATOM 0 H SER A 57 -8.581 -7.472 -1.691 1.00 8.92 H new ATOM 0 HA SER A 57 -10.683 -6.946 0.195 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.029 -8.283 -1.313 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.209 -6.981 -2.151 1.00 10.32 H new ATOM 0 HG SER A 57 -11.133 -8.965 -3.324 1.00 13.59 H new ATOM 915 N ASP A 58 -8.947 -9.686 0.472 1.00 9.11 N ATOM 916 CA ASP A 58 -8.580 -10.621 1.489 1.00 7.91 C ATOM 917 C ASP A 58 -8.398 -10.071 2.862 1.00 9.12 C ATOM 918 O ASP A 58 -8.894 -10.656 3.824 1.00 8.61 O ATOM 919 CB ASP A 58 -7.280 -11.264 0.977 1.00 8.41 C ATOM 920 CG ASP A 58 -7.107 -12.704 1.439 1.00 11.50 C ATOM 921 OD1 ASP A 58 -7.899 -13.510 0.880 1.00 11.70 O ATOM 922 OD2 ASP A 58 -6.357 -13.070 2.382 1.00 10.05 O ATOM 0 H ASP A 58 -8.275 -9.670 -0.295 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.403 -11.322 1.631 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.271 -11.234 -0.113 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.430 -10.674 1.319 1.00 8.41 H new ATOM 927 N TYR A 59 -7.789 -8.877 2.973 1.00 7.97 N ATOM 928 CA TYR A 59 -7.621 -8.185 4.213 1.00 8.45 C ATOM 929 C TYR A 59 -8.699 -7.245 4.629 1.00 10.98 C ATOM 930 O TYR A 59 -8.589 -6.602 5.672 1.00 12.95 O ATOM 931 CB TYR A 59 -6.450 -7.208 4.018 1.00 7.94 C ATOM 932 CG TYR A 59 -5.207 -7.990 4.268 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.841 -8.374 5.537 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.467 -8.345 3.164 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.636 -9.019 5.687 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.324 -9.093 3.315 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.895 -9.385 4.588 1.00 6.76 C ATOM 938 OH TYR A 59 -1.843 -10.318 4.709 1.00 7.63 O ATOM 0 H TYR A 59 -7.401 -8.377 2.173 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.539 -8.988 4.946 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.453 -6.794 3.010 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.526 -6.367 4.708 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.478 -8.176 6.386 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.784 -8.036 2.179 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -3.268 -9.240 6.678 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.775 -9.443 2.453 1.00 5.39 H new ATOM 0 HH TYR A 59 -2.214 -11.207 4.888 1.00 7.63 H new ATOM 948 N ASN A 60 -9.807 -7.142 3.872 1.00 12.38 N ATOM 949 CA ASN A 60 -10.992 -6.427 4.229 1.00 13.94 C ATOM 950 C ASN A 60 -10.767 -4.955 4.275 1.00 14.16 C ATOM 951 O ASN A 60 -11.287 -4.224 5.116 1.00 14.26 O ATOM 952 CB ASN A 60 -11.747 -7.031 5.426 1.00 19.23 C ATOM 953 CG ASN A 60 -12.119 -8.485 5.176 1.00 22.65 C ATOM 954 OD1 ASN A 60 -12.798 -8.877 4.229 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.849 -9.262 6.259 1.00 24.09 N ATOM 0 H ASN A 60 -9.878 -7.585 2.956 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.704 -6.566 3.416 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -11.128 -6.962 6.320 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.650 -6.451 5.618 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.215 -10.213 6.309 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.280 -8.894 7.022 1.00 24.09 H new ATOM 962 N ILE A 61 -9.957 -4.517 3.294 1.00 11.08 N ATOM 963 CA ILE A 61 -9.624 -3.136 3.133 1.00 11.78 C ATOM 964 C ILE A 61 -10.675 -2.584 2.233 1.00 13.74 C ATOM 965 O ILE A 61 -10.709 -2.776 1.018 1.00 14.60 O ATOM 966 CB ILE A 61 -8.197 -2.905 2.733 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.268 -3.555 3.772 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.990 -1.393 2.544 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.825 -3.566 3.271 1.00 11.42 C ATOM 0 H ILE A 61 -9.527 -5.131 2.602 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.640 -2.588 4.075 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.950 -3.377 1.782 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.328 -3.009 4.713 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.596 -4.575 3.974 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.957 -1.201 2.252 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.661 -1.028 1.766 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -8.205 -0.877 3.480 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.183 -4.030 4.020 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.767 -4.133 2.342 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.494 -2.543 3.093 1.00 11.42 H new ATOM 981 N GLN A 62 -11.495 -1.773 2.925 1.00 13.97 N ATOM 982 CA GLN A 62 -12.534 -0.995 2.326 1.00 15.52 C ATOM 983 C GLN A 62 -11.982 0.282 1.793 1.00 13.94 C ATOM 984 O GLN A 62 -10.866 0.764 1.983 1.00 12.15 O ATOM 985 CB GLN A 62 -13.680 -0.775 3.329 1.00 19.53 C ATOM 986 CG GLN A 62 -14.339 -2.005 3.956 1.00 26.38 C ATOM 987 CD GLN A 62 -15.611 -1.713 4.739 1.00 30.61 C ATOM 988 OE1 GLN A 62 -16.720 -2.015 4.302 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.411 -1.080 5.926 1.00 32.71 N ATOM 0 H GLN A 62 -11.432 -1.655 3.936 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.953 -1.537 1.478 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -13.299 -0.153 4.139 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.458 -0.201 2.825 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -14.570 -2.719 3.166 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.621 -2.486 4.621 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -14.464 -0.857 6.232 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -16.208 -0.828 6.510 1.00 32.71 H new ATOM 998 N LYS A 63 -12.869 1.031 1.114 1.00 11.73 N ATOM 999 CA LYS A 63 -12.601 2.326 0.568 1.00 11.97 C ATOM 1000 C LYS A 63 -12.360 3.357 1.616 1.00 10.41 C ATOM 1001 O LYS A 63 -12.838 3.222 2.741 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.859 2.615 -0.269 1.00 13.73 C ATOM 1003 CG LYS A 63 -15.226 2.729 0.410 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.218 3.521 -0.445 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.605 3.379 0.185 1.00 23.42 C ATOM 1006 NZ LYS A 63 -18.682 4.045 -0.580 1.00 25.97 N ATOM 0 H LYS A 63 -13.823 0.717 0.937 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.684 2.353 -0.020 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.684 3.549 -0.803 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.936 1.828 -1.020 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.623 1.732 0.598 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -15.112 3.215 1.379 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.927 4.570 -0.493 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.224 3.145 -1.468 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.843 2.320 0.281 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -17.579 3.793 1.193 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -19.591 3.906 -0.093 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -18.479 5.063 -0.651 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -18.734 3.635 -1.534 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.681 4.455 1.238 1.00 10.04 N ATOM 1021 CA GLU A 64 -11.324 5.577 2.050 1.00 10.94 C ATOM 1022 C GLU A 64 -10.513 5.290 3.267 1.00 9.74 C ATOM 1023 O GLU A 64 -10.446 6.061 4.223 1.00 9.42 O ATOM 1024 CB GLU A 64 -12.434 6.575 2.418 1.00 18.31 C ATOM 1025 CG GLU A 64 -13.501 6.899 1.370 1.00 24.16 C ATOM 1026 CD GLU A 64 -14.692 7.742 1.804 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -15.396 7.241 2.721 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -14.759 8.968 1.521 1.00 31.72 O ATOM 0 H GLU A 64 -11.354 4.565 0.278 1.00 10.04 H new ATOM 0 HA GLU A 64 -10.683 6.069 1.318 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.943 6.193 3.303 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -11.956 7.512 2.705 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -13.012 7.412 0.542 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -13.883 5.956 0.979 1.00 24.16 H new ATOM 1035 N SER A 65 -9.841 4.125 3.263 1.00 6.85 N ATOM 1036 CA SER A 65 -8.884 3.652 4.215 1.00 6.90 C ATOM 1037 C SER A 65 -7.500 4.184 4.068 1.00 4.72 C ATOM 1038 O SER A 65 -6.918 4.127 2.986 1.00 3.91 O ATOM 1039 CB SER A 65 -8.792 2.125 4.062 1.00 7.28 C ATOM 1040 OG SER A 65 -9.965 1.491 4.552 1.00 10.56 O ATOM 0 H SER A 65 -9.985 3.447 2.515 1.00 6.85 H new ATOM 0 HA SER A 65 -9.243 3.995 5.185 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.648 1.869 3.012 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.921 1.754 4.603 1.00 7.28 H new ATOM 0 HG SER A 65 -10.483 1.134 3.800 1.00 10.56 H new ATOM 1046 N THR A 66 -6.833 4.708 5.112 1.00 4.48 N ATOM 1047 CA THR A 66 -5.459 5.104 5.090 1.00 3.80 C ATOM 1048 C THR A 66 -4.565 3.983 5.493 1.00 4.60 C ATOM 1049 O THR A 66 -4.658 3.428 6.587 1.00 5.33 O ATOM 1050 CB THR A 66 -5.087 6.247 5.988 1.00 2.85 C ATOM 1051 OG1 THR A 66 -6.074 7.255 5.825 1.00 2.15 O ATOM 1052 CG2 THR A 66 -3.725 6.857 5.616 1.00 3.40 C ATOM 0 H THR A 66 -7.275 4.863 6.018 1.00 4.48 H new ATOM 0 HA THR A 66 -5.327 5.418 4.054 1.00 3.80 H new ATOM 0 HB THR A 66 -5.025 5.878 7.012 1.00 2.85 H new ATOM 0 HG1 THR A 66 -5.861 8.018 6.402 1.00 2.15 H new ATOM 0 HG21 THR A 66 -3.498 7.681 6.293 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.950 6.095 5.699 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.760 7.228 4.592 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.696 3.538 4.568 1.00 4.17 N ATOM 1061 CA LEU A 67 -2.680 2.558 4.797 1.00 3.85 C ATOM 1062 C LEU A 67 -1.466 3.330 5.187 1.00 3.80 C ATOM 1063 O LEU A 67 -1.366 4.538 4.977 1.00 5.54 O ATOM 1064 CB LEU A 67 -2.281 1.691 3.591 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.374 0.675 3.219 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -4.579 1.249 2.456 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.831 -0.447 2.318 1.00 8.12 C ATOM 0 H LEU A 67 -3.703 3.881 3.608 1.00 4.17 H new ATOM 0 HA LEU A 67 -3.075 1.863 5.538 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -2.078 2.334 2.735 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.356 1.161 3.817 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.700 0.321 4.197 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -5.289 0.450 2.243 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -5.064 2.013 3.064 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -4.239 1.691 1.520 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.635 -1.143 2.079 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.438 -0.016 1.397 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.034 -0.978 2.839 1.00 8.12 H new ATOM 1079 N HIS A 68 -0.548 2.682 5.924 1.00 2.94 N ATOM 1080 CA HIS A 68 0.694 3.377 6.062 1.00 4.17 C ATOM 1081 C HIS A 68 1.745 2.733 5.225 1.00 5.32 C ATOM 1082 O HIS A 68 1.747 1.508 5.106 1.00 7.70 O ATOM 1083 CB HIS A 68 1.179 3.365 7.522 1.00 5.57 C ATOM 1084 CG HIS A 68 0.148 3.998 8.408 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.127 5.342 8.251 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.884 3.462 9.114 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.349 5.526 8.819 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.771 4.458 9.470 1.00 16.30 N ATOM 0 H HIS A 68 -0.641 1.775 6.381 1.00 2.94 H new ATOM 0 HA HIS A 68 0.525 4.404 5.739 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.367 2.341 7.843 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.123 3.904 7.605 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.993 2.416 9.359 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.912 6.445 8.746 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -2.573 4.385 10.096 1.00 16.30 H new ATOM 1096 N LEU A 69 2.683 3.620 4.848 1.00 5.29 N ATOM 1097 CA LEU A 69 3.844 3.189 4.133 1.00 3.97 C ATOM 1098 C LEU A 69 5.067 3.572 4.892 1.00 5.07 C ATOM 1099 O LEU A 69 5.331 4.742 5.162 1.00 4.34 O ATOM 1100 CB LEU A 69 3.657 3.687 2.690 1.00 6.08 C ATOM 1101 CG LEU A 69 4.859 3.409 1.772 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.975 1.921 1.400 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.064 4.332 0.559 1.00 6.87 C ATOM 0 H LEU A 69 2.640 4.622 5.035 1.00 5.29 H new ATOM 0 HA LEU A 69 3.981 2.111 4.046 1.00 3.97 H new ATOM 0 HB2 LEU A 69 2.771 3.214 2.265 1.00 6.08 H new ATOM 0 HB3 LEU A 69 3.468 4.760 2.709 1.00 6.08 H new ATOM 0 HG LEU A 69 5.700 3.683 2.409 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.838 1.774 0.751 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.098 1.328 2.306 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.071 1.605 0.879 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.948 4.015 0.006 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.191 4.278 -0.091 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.198 5.358 0.901 1.00 6.87 H new ATOM 1115 N VAL A 70 5.732 2.497 5.352 1.00 4.29 N ATOM 1116 CA VAL A 70 6.959 2.453 6.087 1.00 6.26 C ATOM 1117 C VAL A 70 7.877 1.629 5.251 1.00 9.22 C ATOM 1118 O VAL A 70 7.639 1.389 4.069 1.00 9.36 O ATOM 1119 CB VAL A 70 6.746 1.830 7.435 1.00 8.69 C ATOM 1120 CG1 VAL A 70 6.004 2.827 8.341 1.00 9.76 C ATOM 1121 CG2 VAL A 70 6.046 0.463 7.360 1.00 8.54 C ATOM 0 H VAL A 70 5.368 1.558 5.190 1.00 4.29 H new ATOM 0 HA VAL A 70 7.366 3.447 6.274 1.00 6.26 H new ATOM 0 HB VAL A 70 7.721 1.616 7.874 1.00 8.69 H new ATOM 0 HG11 VAL A 70 5.846 2.379 9.322 1.00 9.76 H new ATOM 0 HG12 VAL A 70 6.599 3.734 8.447 1.00 9.76 H new ATOM 0 HG13 VAL A 70 5.040 3.075 7.896 1.00 9.76 H new ATOM 0 HG21 VAL A 70 5.920 0.063 8.366 1.00 8.54 H new ATOM 0 HG22 VAL A 70 5.069 0.580 6.891 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.652 -0.224 6.770 1.00 8.54 H new ATOM 1131 N LEU A 71 9.064 1.297 5.790 1.00 12.71 N ATOM 1132 CA LEU A 71 10.189 0.790 5.068 1.00 16.06 C ATOM 1133 C LEU A 71 10.335 -0.674 5.308 1.00 18.09 C ATOM 1134 O LEU A 71 10.037 -1.249 6.354 1.00 19.26 O ATOM 1135 CB LEU A 71 11.528 1.442 5.453 1.00 17.10 C ATOM 1136 CG LEU A 71 12.862 1.224 4.718 1.00 19.37 C ATOM 1137 CD1 LEU A 71 12.790 2.052 3.424 1.00 19.57 C ATOM 1138 CD2 LEU A 71 14.040 1.717 5.574 1.00 17.51 C ATOM 0 H LEU A 71 9.248 1.388 6.789 1.00 12.71 H new ATOM 0 HA LEU A 71 9.982 1.022 4.023 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.352 2.518 5.439 1.00 17.10 H new ATOM 0 HB3 LEU A 71 11.709 1.162 6.491 1.00 17.10 H new ATOM 0 HG LEU A 71 13.018 0.165 4.514 1.00 19.37 H new ATOM 0 HD11 LEU A 71 13.717 1.932 2.863 1.00 19.57 H new ATOM 0 HD12 LEU A 71 11.952 1.708 2.818 1.00 19.57 H new ATOM 0 HD13 LEU A 71 12.651 3.104 3.673 1.00 19.57 H new ATOM 0 HD21 LEU A 71 14.974 1.554 5.036 1.00 17.51 H new ATOM 0 HD22 LEU A 71 13.921 2.781 5.779 1.00 17.51 H new ATOM 0 HD23 LEU A 71 14.062 1.166 6.514 1.00 17.51 H new