USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 437 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 9 ASN :FLIP amide:sc= 0.991 F(o=-2.2,f=1.2) USER MOD Set 1.2: A 56 THR OG1 : rot -79:sc= 0.194 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 THR OG1 : rot 64:sc= -0.675 USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= -0.848 USER MOD Set 3.2: A 54 THR OG1 : rot 116:sc= -0.612 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 1.29 (180deg=-0.643) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -95:sc= 1.19 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -30:sc= 1.25 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.02) USER MOD Single : A 34 TYR OH : rot 180:sc= -1.01! USER MOD Single : A 36 ASN : amide:sc= -0.0641 X(o=-0.064,f=-0.44) USER MOD Single : A 38 ASN :FLIP amide:sc= 1.19 F(o=-0.078,f=1.2) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.39 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.205 -14.607 8.083 1.00 0.00 N ATOM 2 CA MET A 1 -1.858 -14.092 7.698 1.00 0.00 C ATOM 3 C MET A 1 -1.978 -13.132 6.509 1.00 0.00 C ATOM 4 O MET A 1 -1.411 -13.358 5.456 1.00 0.00 O ATOM 5 CB MET A 1 -1.037 -15.331 7.318 1.00 0.00 C ATOM 6 CG MET A 1 -1.727 -16.098 6.182 1.00 0.00 C ATOM 7 SD MET A 1 -2.803 -17.379 6.875 1.00 0.00 S ATOM 8 CE MET A 1 -2.841 -18.455 5.420 1.00 0.00 C ATOM 0 H1 MET A 1 -3.447 -14.269 9.036 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.915 -14.265 7.404 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.194 -15.647 8.077 1.00 0.00 H new ATOM 0 HA MET A 1 -1.387 -13.535 8.508 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.036 -15.031 7.008 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.921 -15.980 8.186 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.311 -15.411 5.569 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.980 -16.551 5.530 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.461 -19.327 5.628 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.256 -17.908 4.574 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.828 -18.779 5.181 1.00 0.00 H new ATOM 20 N THR A 2 -2.713 -12.061 6.675 1.00 0.00 N ATOM 21 CA THR A 2 -2.878 -11.077 5.564 1.00 0.00 C ATOM 22 C THR A 2 -1.742 -10.052 5.592 1.00 0.00 C ATOM 23 O THR A 2 -1.850 -9.016 6.223 1.00 0.00 O ATOM 24 CB THR A 2 -4.220 -10.394 5.835 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.251 -11.372 5.858 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.509 -9.371 4.732 1.00 0.00 C ATOM 0 H THR A 2 -3.207 -11.826 7.536 1.00 0.00 H new ATOM 0 HA THR A 2 -2.853 -11.554 4.584 1.00 0.00 H new ATOM 0 HB THR A 2 -4.180 -9.884 6.798 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.111 -10.936 6.033 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.465 -8.886 4.927 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.718 -8.621 4.715 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.549 -9.877 3.768 1.00 0.00 H new ATOM 34 N THR A 3 -0.661 -10.327 4.907 1.00 0.00 N ATOM 35 CA THR A 3 0.474 -9.361 4.886 1.00 0.00 C ATOM 36 C THR A 3 0.561 -8.686 3.519 1.00 0.00 C ATOM 37 O THR A 3 0.837 -9.324 2.520 1.00 0.00 O ATOM 38 CB THR A 3 1.731 -10.191 5.150 1.00 0.00 C ATOM 39 OG1 THR A 3 1.581 -10.898 6.373 1.00 0.00 O ATOM 40 CG2 THR A 3 2.950 -9.265 5.236 1.00 0.00 C ATOM 0 H THR A 3 -0.517 -11.178 4.363 1.00 0.00 H new ATOM 0 HA THR A 3 0.351 -8.574 5.630 1.00 0.00 H new ATOM 0 HB THR A 3 1.876 -10.901 4.336 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.385 -11.432 6.543 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.845 -9.858 5.424 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.064 -8.725 4.296 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.809 -8.553 6.049 1.00 0.00 H new ATOM 48 N PHE A 4 0.328 -7.400 3.471 1.00 0.00 N ATOM 49 CA PHE A 4 0.397 -6.676 2.167 1.00 0.00 C ATOM 50 C PHE A 4 1.574 -5.703 2.171 1.00 0.00 C ATOM 51 O PHE A 4 1.629 -4.788 2.966 1.00 0.00 O ATOM 52 CB PHE A 4 -0.928 -5.924 2.056 1.00 0.00 C ATOM 53 CG PHE A 4 -1.989 -6.873 1.562 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.875 -7.442 0.289 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.082 -7.193 2.377 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.849 -8.331 -0.172 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.057 -8.082 1.913 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.941 -8.652 0.641 1.00 0.00 C ATOM 0 H PHE A 4 0.093 -6.821 4.277 1.00 0.00 H new ATOM 0 HA PHE A 4 0.547 -7.352 1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.211 -5.514 3.026 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.827 -5.082 1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.032 -7.193 -0.339 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.172 -6.755 3.360 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.759 -8.770 -1.155 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.902 -8.329 2.539 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.694 -9.340 0.287 1.00 0.00 H new ATOM 68 N LYS A 5 2.520 -5.899 1.293 1.00 0.00 N ATOM 69 CA LYS A 5 3.697 -4.987 1.254 1.00 0.00 C ATOM 70 C LYS A 5 3.399 -3.781 0.359 1.00 0.00 C ATOM 71 O LYS A 5 2.389 -3.731 -0.316 1.00 0.00 O ATOM 72 CB LYS A 5 4.835 -5.825 0.670 1.00 0.00 C ATOM 73 CG LYS A 5 5.206 -6.938 1.653 1.00 0.00 C ATOM 74 CD LYS A 5 6.088 -7.971 0.948 1.00 0.00 C ATOM 75 CE LYS A 5 5.211 -9.091 0.383 1.00 0.00 C ATOM 76 NZ LYS A 5 6.090 -10.294 0.360 1.00 0.00 N ATOM 0 H LYS A 5 2.528 -6.650 0.603 1.00 0.00 H new ATOM 0 HA LYS A 5 3.949 -4.596 2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.532 -6.255 -0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.702 -5.194 0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.733 -6.519 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.304 -7.415 2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.652 -7.496 0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.815 -8.382 1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.332 -9.256 1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.852 -8.845 -0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.559 -11.105 -0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.915 -10.110 -0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.411 -10.508 1.326 1.00 0.00 H new ATOM 90 N LEU A 6 4.275 -2.811 0.353 1.00 0.00 N ATOM 91 CA LEU A 6 4.060 -1.598 -0.492 1.00 0.00 C ATOM 92 C LEU A 6 5.411 -1.041 -0.950 1.00 0.00 C ATOM 93 O LEU A 6 6.125 -0.421 -0.185 1.00 0.00 O ATOM 94 CB LEU A 6 3.339 -0.602 0.424 1.00 0.00 C ATOM 95 CG LEU A 6 3.097 0.718 -0.318 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.993 0.529 -1.358 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.673 1.795 0.682 1.00 0.00 C ATOM 0 H LEU A 6 5.136 -2.806 0.900 1.00 0.00 H new ATOM 0 HA LEU A 6 3.481 -1.808 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.389 -1.022 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.935 -0.421 1.318 1.00 0.00 H new ATOM 0 HG LEU A 6 4.016 1.024 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.823 1.469 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.294 -0.237 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.074 0.220 -0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.501 2.733 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.755 1.486 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.460 1.934 1.423 1.00 0.00 H new ATOM 109 N ILE A 7 5.755 -1.246 -2.196 1.00 0.00 N ATOM 110 CA ILE A 7 7.050 -0.723 -2.714 1.00 0.00 C ATOM 111 C ILE A 7 6.884 0.752 -3.042 1.00 0.00 C ATOM 112 O ILE A 7 6.074 1.120 -3.875 1.00 0.00 O ATOM 113 CB ILE A 7 7.338 -1.535 -3.982 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.443 -3.029 -3.633 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.652 -1.060 -4.616 1.00 0.00 C ATOM 116 CD1 ILE A 7 8.577 -3.265 -2.628 1.00 0.00 C ATOM 0 H ILE A 7 5.191 -1.755 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 7 7.866 -0.815 -1.997 1.00 0.00 H new ATOM 0 HB ILE A 7 6.523 -1.389 -4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.499 -3.378 -3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.624 -3.609 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.852 -1.640 -5.517 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.570 -0.004 -4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.469 -1.197 -3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.638 -4.327 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.521 -2.935 -3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.379 -2.701 -1.717 1.00 0.00 H new ATOM 128 N ILE A 8 7.625 1.604 -2.385 1.00 0.00 N ATOM 129 CA ILE A 8 7.478 3.059 -2.659 1.00 0.00 C ATOM 130 C ILE A 8 8.527 3.508 -3.682 1.00 0.00 C ATOM 131 O ILE A 8 9.716 3.408 -3.440 1.00 0.00 O ATOM 132 CB ILE A 8 7.703 3.817 -1.338 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.042 3.094 -0.131 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.125 5.229 -1.497 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.520 3.276 -0.125 1.00 0.00 C ATOM 0 H ILE A 8 8.318 1.357 -1.678 1.00 0.00 H new ATOM 0 HA ILE A 8 6.485 3.265 -3.059 1.00 0.00 H new ATOM 0 HB ILE A 8 8.772 3.859 -1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.281 2.031 -0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.459 3.482 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.272 5.788 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.633 5.740 -2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.059 5.163 -1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.095 2.756 0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.281 4.338 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.101 2.864 -1.043 1.00 0.00 H new ATOM 147 N ASN A 9 8.101 4.013 -4.812 1.00 0.00 N ATOM 148 CA ASN A 9 9.080 4.482 -5.842 1.00 0.00 C ATOM 149 C ASN A 9 8.972 6.003 -6.004 1.00 0.00 C ATOM 150 O ASN A 9 8.182 6.499 -6.786 1.00 0.00 O ATOM 151 CB ASN A 9 8.687 3.756 -7.135 1.00 0.00 C ATOM 152 CG ASN A 9 9.581 4.222 -8.291 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.117 5.085 -9.157 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 10.714 3.798 -8.406 1.00 0.00 N flip ATOM 0 H ASN A 9 7.119 4.121 -5.067 1.00 0.00 H new ATOM 0 HA ASN A 9 10.113 4.266 -5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 9 8.784 2.679 -7.001 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.641 3.955 -7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.078 3.125 -7.731 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.301 4.115 -9.177 1.00 0.00 H new ATOM 161 N GLY A 10 9.762 6.743 -5.267 1.00 0.00 N ATOM 162 CA GLY A 10 9.717 8.232 -5.368 1.00 0.00 C ATOM 163 C GLY A 10 10.693 8.842 -4.360 1.00 0.00 C ATOM 164 O GLY A 10 11.323 8.139 -3.591 1.00 0.00 O ATOM 0 H GLY A 10 10.439 6.377 -4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.978 8.547 -6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.706 8.590 -5.174 1.00 0.00 H new ATOM 168 N LYS A 11 10.825 10.145 -4.360 1.00 0.00 N ATOM 169 CA LYS A 11 11.765 10.809 -3.402 1.00 0.00 C ATOM 170 C LYS A 11 11.356 10.505 -1.957 1.00 0.00 C ATOM 171 O LYS A 11 12.193 10.370 -1.083 1.00 0.00 O ATOM 172 CB LYS A 11 11.656 12.311 -3.698 1.00 0.00 C ATOM 173 CG LYS A 11 10.215 12.791 -3.478 1.00 0.00 C ATOM 174 CD LYS A 11 9.931 14.013 -4.364 1.00 0.00 C ATOM 175 CE LYS A 11 9.816 15.271 -3.496 1.00 0.00 C ATOM 176 NZ LYS A 11 8.690 16.045 -4.088 1.00 0.00 N ATOM 0 H LYS A 11 10.323 10.779 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 11 12.788 10.452 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.335 12.867 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.960 12.510 -4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.515 11.989 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.064 13.048 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.730 14.137 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.008 13.861 -4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.616 15.016 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.741 15.847 -3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.549 16.922 -3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.912 16.280 -5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.821 15.475 -4.054 1.00 0.00 H new ATOM 190 N THR A 12 10.077 10.393 -1.706 1.00 0.00 N ATOM 191 CA THR A 12 9.602 10.094 -0.322 1.00 0.00 C ATOM 192 C THR A 12 9.479 8.582 -0.130 1.00 0.00 C ATOM 193 O THR A 12 8.933 7.886 -0.964 1.00 0.00 O ATOM 194 CB THR A 12 8.230 10.764 -0.218 1.00 0.00 C ATOM 195 OG1 THR A 12 7.439 10.392 -1.339 1.00 0.00 O ATOM 196 CG2 THR A 12 8.391 12.288 -0.192 1.00 0.00 C ATOM 0 H THR A 12 9.339 10.496 -2.402 1.00 0.00 H new ATOM 0 HA THR A 12 10.288 10.459 0.442 1.00 0.00 H new ATOM 0 HB THR A 12 7.742 10.441 0.702 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.521 11.074 -2.038 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.410 12.756 -0.118 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.996 12.575 0.668 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.882 12.618 -1.108 1.00 0.00 H new ATOM 204 N LEU A 13 9.984 8.069 0.967 1.00 0.00 N ATOM 205 CA LEU A 13 9.913 6.594 1.238 1.00 0.00 C ATOM 206 C LEU A 13 10.604 5.813 0.113 1.00 0.00 C ATOM 207 O LEU A 13 10.833 6.330 -0.964 1.00 0.00 O ATOM 208 CB LEU A 13 8.418 6.239 1.301 1.00 0.00 C ATOM 209 CG LEU A 13 7.983 6.073 2.757 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.465 5.893 2.814 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.667 4.841 3.357 1.00 0.00 C ATOM 0 H LEU A 13 10.447 8.614 1.694 1.00 0.00 H new ATOM 0 HA LEU A 13 10.419 6.336 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.829 7.022 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.231 5.318 0.749 1.00 0.00 H new ATOM 0 HG LEU A 13 8.267 6.958 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.151 5.774 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.978 6.769 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.182 5.007 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.357 4.722 4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.383 3.955 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.749 4.968 3.314 1.00 0.00 H new ATOM 223 N LYS A 14 10.936 4.567 0.356 1.00 0.00 N ATOM 224 CA LYS A 14 11.607 3.739 -0.690 1.00 0.00 C ATOM 225 C LYS A 14 11.793 2.298 -0.202 1.00 0.00 C ATOM 226 O LYS A 14 12.764 1.975 0.455 1.00 0.00 O ATOM 227 CB LYS A 14 12.973 4.400 -0.957 1.00 0.00 C ATOM 228 CG LYS A 14 13.770 4.538 0.347 1.00 0.00 C ATOM 229 CD LYS A 14 14.847 5.611 0.171 1.00 0.00 C ATOM 230 CE LYS A 14 15.935 5.089 -0.770 1.00 0.00 C ATOM 231 NZ LYS A 14 17.082 6.023 -0.591 1.00 0.00 N ATOM 0 H LYS A 14 10.769 4.087 1.241 1.00 0.00 H new ATOM 0 HA LYS A 14 11.007 3.692 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.538 3.804 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.826 5.382 -1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.104 4.806 1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.229 3.585 0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.406 6.522 -0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.280 5.870 1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.216 4.066 -0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.591 5.080 -1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.868 5.729 -1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.787 6.988 -0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.393 6.005 0.401 1.00 0.00 H new ATOM 245 N GLY A 15 10.870 1.427 -0.525 1.00 0.00 N ATOM 246 CA GLY A 15 10.995 0.003 -0.089 1.00 0.00 C ATOM 247 C GLY A 15 9.638 -0.528 0.375 1.00 0.00 C ATOM 248 O GLY A 15 8.660 0.196 0.422 1.00 0.00 O ATOM 0 H GLY A 15 10.036 1.641 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.370 -0.605 -0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.720 -0.075 0.721 1.00 0.00 H new ATOM 252 N GLU A 16 9.575 -1.792 0.713 1.00 0.00 N ATOM 253 CA GLU A 16 8.288 -2.391 1.175 1.00 0.00 C ATOM 254 C GLU A 16 8.058 -2.087 2.664 1.00 0.00 C ATOM 255 O GLU A 16 8.995 -1.942 3.427 1.00 0.00 O ATOM 256 CB GLU A 16 8.440 -3.900 0.922 1.00 0.00 C ATOM 257 CG GLU A 16 9.504 -4.503 1.851 1.00 0.00 C ATOM 258 CD GLU A 16 10.087 -5.763 1.208 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.338 -6.704 1.011 1.00 0.00 O ATOM 260 OE2 GLU A 16 11.274 -5.764 0.924 1.00 0.00 O ATOM 0 H GLU A 16 10.365 -2.437 0.688 1.00 0.00 H new ATOM 0 HA GLU A 16 7.425 -1.984 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.484 -4.399 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.718 -4.073 -0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.295 -3.776 2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.063 -4.746 2.818 1.00 0.00 H new ATOM 267 N ILE A 17 6.819 -1.989 3.074 1.00 0.00 N ATOM 268 CA ILE A 17 6.519 -1.693 4.510 1.00 0.00 C ATOM 269 C ILE A 17 5.744 -2.855 5.156 1.00 0.00 C ATOM 270 O ILE A 17 5.711 -2.972 6.361 1.00 0.00 O ATOM 271 CB ILE A 17 5.660 -0.422 4.484 1.00 0.00 C ATOM 272 CG1 ILE A 17 6.447 0.718 3.826 1.00 0.00 C ATOM 273 CG2 ILE A 17 5.294 -0.014 5.914 1.00 0.00 C ATOM 274 CD1 ILE A 17 5.478 1.811 3.374 1.00 0.00 C ATOM 0 H ILE A 17 6.000 -2.101 2.476 1.00 0.00 H new ATOM 0 HA ILE A 17 7.428 -1.562 5.097 1.00 0.00 H new ATOM 0 HB ILE A 17 4.751 -0.620 3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.172 1.128 4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.010 0.340 2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.684 0.889 5.890 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.733 -0.818 6.390 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.204 0.178 6.482 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.037 2.622 2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.771 1.396 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.935 2.196 4.237 1.00 0.00 H new ATOM 286 N THR A 18 5.122 -3.699 4.362 1.00 0.00 N ATOM 287 CA THR A 18 4.331 -4.863 4.908 1.00 0.00 C ATOM 288 C THR A 18 3.172 -4.357 5.775 1.00 0.00 C ATOM 289 O THR A 18 3.352 -3.535 6.653 1.00 0.00 O ATOM 290 CB THR A 18 5.292 -5.755 5.737 1.00 0.00 C ATOM 291 OG1 THR A 18 5.405 -5.254 7.062 1.00 0.00 O ATOM 292 CG2 THR A 18 6.685 -5.820 5.092 1.00 0.00 C ATOM 0 H THR A 18 5.127 -3.633 3.344 1.00 0.00 H new ATOM 0 HA THR A 18 3.902 -5.445 4.092 1.00 0.00 H new ATOM 0 HB THR A 18 4.875 -6.762 5.762 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.288 -4.281 7.055 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.336 -6.452 5.696 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.602 -6.238 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.106 -4.816 5.034 1.00 0.00 H new ATOM 300 N ILE A 19 1.977 -4.836 5.525 1.00 0.00 N ATOM 301 CA ILE A 19 0.801 -4.371 6.330 1.00 0.00 C ATOM 302 C ILE A 19 0.125 -5.546 7.053 1.00 0.00 C ATOM 303 O ILE A 19 0.333 -6.700 6.738 1.00 0.00 O ATOM 304 CB ILE A 19 -0.161 -3.693 5.297 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.369 -2.211 5.695 1.00 0.00 C ATOM 306 CG2 ILE A 19 -1.530 -4.417 5.211 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.540 -1.585 4.911 1.00 0.00 C ATOM 0 H ILE A 19 1.765 -5.525 4.803 1.00 0.00 H new ATOM 0 HA ILE A 19 1.093 -3.675 7.117 1.00 0.00 H new ATOM 0 HB ILE A 19 0.300 -3.759 4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.566 -2.143 6.765 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.544 -1.648 5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.164 -3.912 4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.376 -5.451 4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.014 -4.398 6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.663 -0.544 5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.329 -1.633 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.456 -2.135 5.125 1.00 0.00 H new ATOM 319 N GLU A 20 -0.736 -5.220 7.973 1.00 0.00 N ATOM 320 CA GLU A 20 -1.523 -6.248 8.705 1.00 0.00 C ATOM 321 C GLU A 20 -2.994 -5.859 8.551 1.00 0.00 C ATOM 322 O GLU A 20 -3.624 -5.380 9.475 1.00 0.00 O ATOM 323 CB GLU A 20 -1.074 -6.164 10.171 1.00 0.00 C ATOM 324 CG GLU A 20 -1.234 -4.728 10.697 1.00 0.00 C ATOM 325 CD GLU A 20 -1.918 -4.752 12.068 1.00 0.00 C ATOM 326 OE1 GLU A 20 -2.832 -5.541 12.239 1.00 0.00 O ATOM 327 OE2 GLU A 20 -1.516 -3.978 12.921 1.00 0.00 O ATOM 0 H GLU A 20 -0.932 -4.260 8.255 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.380 -7.264 8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.665 -6.849 10.779 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.033 -6.477 10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.258 -4.249 10.775 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.824 -4.138 9.996 1.00 0.00 H new ATOM 334 N ALA A 21 -3.525 -6.024 7.367 1.00 0.00 N ATOM 335 CA ALA A 21 -4.929 -5.628 7.101 1.00 0.00 C ATOM 336 C ALA A 21 -5.798 -6.860 6.897 1.00 0.00 C ATOM 337 O ALA A 21 -5.328 -7.980 6.960 1.00 0.00 O ATOM 338 CB ALA A 21 -4.850 -4.807 5.810 1.00 0.00 C ATOM 0 H ALA A 21 -3.034 -6.422 6.566 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.371 -5.069 7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.848 -4.468 5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.204 -3.943 5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.441 -5.425 5.010 1.00 0.00 H new ATOM 344 N VAL A 22 -7.062 -6.656 6.667 1.00 0.00 N ATOM 345 CA VAL A 22 -7.978 -7.803 6.471 1.00 0.00 C ATOM 346 C VAL A 22 -7.869 -8.352 5.044 1.00 0.00 C ATOM 347 O VAL A 22 -7.861 -9.549 4.827 1.00 0.00 O ATOM 348 CB VAL A 22 -9.387 -7.255 6.752 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.779 -6.195 5.707 1.00 0.00 C ATOM 350 CG2 VAL A 22 -10.393 -8.408 6.700 1.00 0.00 C ATOM 0 H VAL A 22 -7.500 -5.737 6.606 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.734 -8.634 7.133 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.392 -6.791 7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.779 -5.821 5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.068 -5.370 5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.768 -6.642 4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.394 -8.026 6.898 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.369 -8.868 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.133 -9.152 7.453 1.00 0.00 H new ATOM 360 N ASP A 23 -7.782 -7.480 4.076 1.00 0.00 N ATOM 361 CA ASP A 23 -7.669 -7.923 2.660 1.00 0.00 C ATOM 362 C ASP A 23 -6.812 -6.918 1.902 1.00 0.00 C ATOM 363 O ASP A 23 -6.464 -5.877 2.429 1.00 0.00 O ATOM 364 CB ASP A 23 -9.098 -7.933 2.119 1.00 0.00 C ATOM 365 CG ASP A 23 -9.814 -9.200 2.589 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.325 -10.278 2.291 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.837 -9.071 3.241 1.00 0.00 O ATOM 0 H ASP A 23 -7.785 -6.469 4.209 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.206 -8.905 2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.635 -7.050 2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.086 -7.892 1.030 1.00 0.00 H new ATOM 372 N ALA A 24 -6.456 -7.216 0.680 1.00 0.00 N ATOM 373 CA ALA A 24 -5.604 -6.263 -0.089 1.00 0.00 C ATOM 374 C ALA A 24 -6.356 -4.945 -0.288 1.00 0.00 C ATOM 375 O ALA A 24 -5.782 -3.875 -0.212 1.00 0.00 O ATOM 376 CB ALA A 24 -5.328 -6.937 -1.432 1.00 0.00 C ATOM 0 H ALA A 24 -6.715 -8.070 0.185 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.674 -6.032 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.705 -6.286 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.811 -7.882 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.271 -7.125 -1.945 1.00 0.00 H new ATOM 382 N ALA A 25 -7.645 -5.017 -0.527 1.00 0.00 N ATOM 383 CA ALA A 25 -8.453 -3.773 -0.720 1.00 0.00 C ATOM 384 C ALA A 25 -8.266 -2.837 0.479 1.00 0.00 C ATOM 385 O ALA A 25 -8.085 -1.644 0.325 1.00 0.00 O ATOM 386 CB ALA A 25 -9.906 -4.242 -0.811 1.00 0.00 C ATOM 0 H ALA A 25 -8.172 -5.887 -0.597 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.152 -3.221 -1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.558 -3.380 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.016 -4.924 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.181 -4.757 0.110 1.00 0.00 H new ATOM 392 N GLU A 26 -8.290 -3.383 1.669 1.00 0.00 N ATOM 393 CA GLU A 26 -8.091 -2.540 2.883 1.00 0.00 C ATOM 394 C GLU A 26 -6.649 -2.039 2.913 1.00 0.00 C ATOM 395 O GLU A 26 -6.398 -0.861 3.073 1.00 0.00 O ATOM 396 CB GLU A 26 -8.372 -3.460 4.073 1.00 0.00 C ATOM 397 CG GLU A 26 -8.893 -2.630 5.249 1.00 0.00 C ATOM 398 CD GLU A 26 -10.420 -2.560 5.189 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.927 -1.809 4.372 1.00 0.00 O ATOM 400 OE2 GLU A 26 -11.056 -3.258 5.962 1.00 0.00 O ATOM 0 H GLU A 26 -8.439 -4.376 1.850 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.744 -1.667 2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.105 -4.217 3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.463 -3.987 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.576 -3.076 6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.471 -1.626 5.214 1.00 0.00 H new ATOM 407 N ALA A 27 -5.695 -2.929 2.741 1.00 0.00 N ATOM 408 CA ALA A 27 -4.255 -2.500 2.737 1.00 0.00 C ATOM 409 C ALA A 27 -4.051 -1.350 1.748 1.00 0.00 C ATOM 410 O ALA A 27 -3.348 -0.398 2.027 1.00 0.00 O ATOM 411 CB ALA A 27 -3.448 -3.718 2.284 1.00 0.00 C ATOM 0 H ALA A 27 -5.850 -3.928 2.604 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.943 -2.154 3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.388 -3.464 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.610 -4.541 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.770 -4.018 1.287 1.00 0.00 H new ATOM 417 N GLU A 28 -4.681 -1.427 0.598 1.00 0.00 N ATOM 418 CA GLU A 28 -4.543 -0.331 -0.408 1.00 0.00 C ATOM 419 C GLU A 28 -5.048 0.979 0.199 1.00 0.00 C ATOM 420 O GLU A 28 -4.442 2.014 0.035 1.00 0.00 O ATOM 421 CB GLU A 28 -5.409 -0.744 -1.600 1.00 0.00 C ATOM 422 CG GLU A 28 -4.974 0.040 -2.845 1.00 0.00 C ATOM 423 CD GLU A 28 -6.123 0.072 -3.855 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.191 -0.832 -4.673 1.00 0.00 O ATOM 425 OE2 GLU A 28 -6.914 0.998 -3.795 1.00 0.00 O ATOM 0 H GLU A 28 -5.283 -2.201 0.316 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.508 -0.177 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.312 -1.815 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.460 -0.550 -1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.691 1.055 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.095 -0.425 -3.292 1.00 0.00 H new ATOM 432 N LYS A 29 -6.140 0.930 0.923 1.00 0.00 N ATOM 433 CA LYS A 29 -6.666 2.173 1.564 1.00 0.00 C ATOM 434 C LYS A 29 -5.687 2.625 2.649 1.00 0.00 C ATOM 435 O LYS A 29 -5.270 3.770 2.693 1.00 0.00 O ATOM 436 CB LYS A 29 -8.010 1.778 2.182 1.00 0.00 C ATOM 437 CG LYS A 29 -9.032 1.480 1.073 1.00 0.00 C ATOM 438 CD LYS A 29 -10.245 2.405 1.219 1.00 0.00 C ATOM 439 CE LYS A 29 -9.829 3.846 0.918 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.735 4.688 1.748 1.00 0.00 N ATOM 0 H LYS A 29 -6.687 0.087 1.097 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.784 2.994 0.857 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.884 0.901 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.377 2.583 2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.572 1.621 0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.349 0.439 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.037 2.094 0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.649 2.336 2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.784 4.018 1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.938 4.075 -0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.511 5.692 1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.722 4.508 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.605 4.452 2.753 1.00 0.00 H new ATOM 454 N ILE A 30 -5.298 1.718 3.514 1.00 0.00 N ATOM 455 CA ILE A 30 -4.324 2.071 4.595 1.00 0.00 C ATOM 456 C ILE A 30 -3.028 2.577 3.959 1.00 0.00 C ATOM 457 O ILE A 30 -2.426 3.524 4.426 1.00 0.00 O ATOM 458 CB ILE A 30 -4.076 0.766 5.365 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.390 0.270 5.979 1.00 0.00 C ATOM 460 CG2 ILE A 30 -3.061 1.010 6.485 1.00 0.00 C ATOM 461 CD1 ILE A 30 -5.303 -1.238 6.244 1.00 0.00 C ATOM 0 H ILE A 30 -5.613 0.748 3.518 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.696 2.855 5.255 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.687 0.016 4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.590 0.801 6.910 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.220 0.483 5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.888 0.081 7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.122 1.359 6.055 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.449 1.764 7.170 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.239 -1.585 6.680 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.123 -1.763 5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.484 -1.439 6.935 1.00 0.00 H new ATOM 473 N PHE A 31 -2.610 1.953 2.887 1.00 0.00 N ATOM 474 CA PHE A 31 -1.364 2.394 2.196 1.00 0.00 C ATOM 475 C PHE A 31 -1.633 3.698 1.442 1.00 0.00 C ATOM 476 O PHE A 31 -0.803 4.586 1.398 1.00 0.00 O ATOM 477 CB PHE A 31 -1.022 1.268 1.210 1.00 0.00 C ATOM 478 CG PHE A 31 -0.219 0.181 1.893 1.00 0.00 C ATOM 479 CD1 PHE A 31 0.873 0.509 2.708 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.562 -1.161 1.692 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.618 -0.506 3.319 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.185 -2.174 2.306 1.00 0.00 C ATOM 483 CZ PHE A 31 1.275 -1.844 3.116 1.00 0.00 C ATOM 0 H PHE A 31 -3.081 1.155 2.461 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.546 2.577 2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.940 0.846 0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.455 1.672 0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.139 1.544 2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.403 -1.415 1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.459 -0.254 3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.081 -3.210 2.154 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.853 -2.626 3.586 1.00 0.00 H new ATOM 493 N LYS A 32 -2.796 3.813 0.848 1.00 0.00 N ATOM 494 CA LYS A 32 -3.145 5.048 0.090 1.00 0.00 C ATOM 495 C LYS A 32 -3.424 6.227 1.035 1.00 0.00 C ATOM 496 O LYS A 32 -3.626 7.340 0.587 1.00 0.00 O ATOM 497 CB LYS A 32 -4.401 4.700 -0.709 1.00 0.00 C ATOM 498 CG LYS A 32 -4.026 3.847 -1.929 1.00 0.00 C ATOM 499 CD LYS A 32 -4.086 4.699 -3.202 1.00 0.00 C ATOM 500 CE LYS A 32 -5.522 5.194 -3.434 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.963 4.534 -4.695 1.00 0.00 N ATOM 0 H LYS A 32 -3.522 3.097 0.858 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.321 5.357 -0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.105 4.158 -0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.901 5.613 -1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.024 3.437 -1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.708 3.001 -2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.409 5.549 -3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.751 4.113 -4.058 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.171 4.925 -2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.554 6.280 -3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.936 4.825 -4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.332 4.814 -5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.929 3.501 -4.577 1.00 0.00 H new ATOM 515 N GLN A 33 -3.395 6.011 2.329 1.00 0.00 N ATOM 516 CA GLN A 33 -3.611 7.144 3.283 1.00 0.00 C ATOM 517 C GLN A 33 -2.267 7.376 3.943 1.00 0.00 C ATOM 518 O GLN A 33 -1.762 8.478 4.036 1.00 0.00 O ATOM 519 CB GLN A 33 -4.651 6.646 4.288 1.00 0.00 C ATOM 520 CG GLN A 33 -5.120 7.815 5.163 1.00 0.00 C ATOM 521 CD GLN A 33 -6.634 7.727 5.372 1.00 0.00 C ATOM 522 OE1 GLN A 33 -7.105 7.701 6.492 1.00 0.00 O ATOM 523 NE2 GLN A 33 -7.420 7.677 4.332 1.00 0.00 N ATOM 0 H GLN A 33 -3.232 5.103 2.764 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.961 8.071 2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.500 6.209 3.762 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.223 5.861 4.911 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.608 7.790 6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.863 8.763 4.690 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.024 7.699 3.392 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.430 7.616 4.459 1.00 0.00 H new ATOM 532 N TYR A 34 -1.665 6.291 4.327 1.00 0.00 N ATOM 533 CA TYR A 34 -0.306 6.301 4.920 1.00 0.00 C ATOM 534 C TYR A 34 0.653 7.029 3.956 1.00 0.00 C ATOM 535 O TYR A 34 1.454 7.853 4.354 1.00 0.00 O ATOM 536 CB TYR A 34 -0.009 4.796 4.991 1.00 0.00 C ATOM 537 CG TYR A 34 1.477 4.518 5.132 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.301 4.522 4.001 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.021 4.258 6.395 1.00 0.00 C ATOM 540 CE1 TYR A 34 3.671 4.265 4.133 1.00 0.00 C ATOM 541 CE2 TYR A 34 3.391 4.002 6.527 1.00 0.00 C ATOM 542 CZ TYR A 34 4.216 4.005 5.396 1.00 0.00 C ATOM 543 OH TYR A 34 5.566 3.752 5.527 1.00 0.00 O ATOM 0 H TYR A 34 -2.077 5.361 4.250 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.207 6.806 5.881 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.542 4.360 5.836 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.386 4.309 4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.880 4.723 3.027 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.384 4.255 7.267 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.307 4.267 3.260 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.811 3.802 7.502 1.00 0.00 H new ATOM 0 HH TYR A 34 5.779 3.593 6.470 1.00 0.00 H new ATOM 553 N ALA A 35 0.551 6.720 2.686 1.00 0.00 N ATOM 554 CA ALA A 35 1.425 7.378 1.668 1.00 0.00 C ATOM 555 C ALA A 35 1.115 8.874 1.604 1.00 0.00 C ATOM 556 O ALA A 35 1.974 9.703 1.816 1.00 0.00 O ATOM 557 CB ALA A 35 1.066 6.717 0.336 1.00 0.00 C ATOM 0 H ALA A 35 -0.105 6.035 2.310 1.00 0.00 H new ATOM 0 HA ALA A 35 2.483 7.268 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.670 7.151 -0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.261 5.646 0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.010 6.882 0.121 1.00 0.00 H new ATOM 563 N ASN A 36 -0.114 9.219 1.309 1.00 0.00 N ATOM 564 CA ASN A 36 -0.503 10.664 1.219 1.00 0.00 C ATOM 565 C ASN A 36 -0.145 11.408 2.509 1.00 0.00 C ATOM 566 O ASN A 36 0.434 12.478 2.476 1.00 0.00 O ATOM 567 CB ASN A 36 -2.017 10.660 1.013 1.00 0.00 C ATOM 568 CG ASN A 36 -2.336 10.352 -0.452 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.537 11.251 -1.245 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.393 9.109 -0.850 1.00 0.00 N ATOM 0 H ASN A 36 -0.870 8.559 1.125 1.00 0.00 H new ATOM 0 HA ASN A 36 0.022 11.171 0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.480 9.916 1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.434 11.628 1.291 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.606 8.895 -1.824 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.225 8.353 -0.186 1.00 0.00 H new ATOM 577 N ASP A 37 -0.488 10.852 3.645 1.00 0.00 N ATOM 578 CA ASP A 37 -0.170 11.528 4.945 1.00 0.00 C ATOM 579 C ASP A 37 1.334 11.779 5.062 1.00 0.00 C ATOM 580 O ASP A 37 1.772 12.713 5.708 1.00 0.00 O ATOM 581 CB ASP A 37 -0.641 10.561 6.032 1.00 0.00 C ATOM 582 CG ASP A 37 -0.875 11.331 7.333 1.00 0.00 C ATOM 583 OD1 ASP A 37 -1.457 12.401 7.269 1.00 0.00 O ATOM 584 OD2 ASP A 37 -0.469 10.837 8.372 1.00 0.00 O ATOM 0 H ASP A 37 -0.974 9.959 3.730 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.659 12.498 5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.560 10.066 5.720 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.104 9.781 6.188 1.00 0.00 H new ATOM 589 N ASN A 38 2.118 10.950 4.437 1.00 0.00 N ATOM 590 CA ASN A 38 3.592 11.113 4.485 1.00 0.00 C ATOM 591 C ASN A 38 4.077 11.908 3.267 1.00 0.00 C ATOM 592 O ASN A 38 5.091 12.578 3.316 1.00 0.00 O ATOM 593 CB ASN A 38 4.150 9.690 4.458 1.00 0.00 C ATOM 594 CG ASN A 38 4.168 9.121 5.879 1.00 0.00 C ATOM 595 OD1 ASN A 38 5.226 9.290 6.623 1.00 0.00 O flip ATOM 596 ND2 ASN A 38 3.209 8.516 6.315 1.00 0.00 N flip ATOM 0 H ASN A 38 1.794 10.155 3.887 1.00 0.00 H new ATOM 0 HA ASN A 38 3.919 11.660 5.369 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.539 9.061 3.811 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.158 9.691 4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.382 8.384 5.733 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.231 8.140 7.263 1.00 0.00 H new ATOM 603 N GLY A 39 3.356 11.832 2.176 1.00 0.00 N ATOM 604 CA GLY A 39 3.761 12.574 0.947 1.00 0.00 C ATOM 605 C GLY A 39 4.202 11.579 -0.131 1.00 0.00 C ATOM 606 O GLY A 39 5.013 11.898 -0.981 1.00 0.00 O ATOM 0 H GLY A 39 2.500 11.284 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.929 13.176 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.575 13.262 1.177 1.00 0.00 H new ATOM 610 N ILE A 40 3.678 10.377 -0.103 1.00 0.00 N ATOM 611 CA ILE A 40 4.065 9.361 -1.123 1.00 0.00 C ATOM 612 C ILE A 40 2.981 9.300 -2.206 1.00 0.00 C ATOM 613 O ILE A 40 2.176 8.393 -2.262 1.00 0.00 O ATOM 614 CB ILE A 40 4.214 8.050 -0.318 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.601 8.029 0.319 1.00 0.00 C ATOM 616 CG2 ILE A 40 4.050 6.792 -1.189 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.643 9.049 1.448 1.00 0.00 C ATOM 0 H ILE A 40 2.997 10.058 0.586 1.00 0.00 H new ATOM 0 HA ILE A 40 4.991 9.581 -1.654 1.00 0.00 H new ATOM 0 HB ILE A 40 3.423 8.031 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.824 7.033 0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.361 8.261 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.165 5.903 -0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.060 6.791 -1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.809 6.790 -1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.631 9.041 1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.437 10.042 1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.891 8.795 2.196 1.00 0.00 H new ATOM 629 N ASP A 41 2.978 10.269 -3.072 1.00 0.00 N ATOM 630 CA ASP A 41 1.974 10.288 -4.179 1.00 0.00 C ATOM 631 C ASP A 41 2.467 9.367 -5.293 1.00 0.00 C ATOM 632 O ASP A 41 3.457 8.678 -5.128 1.00 0.00 O ATOM 633 CB ASP A 41 1.928 11.739 -4.656 1.00 0.00 C ATOM 634 CG ASP A 41 0.816 12.485 -3.916 1.00 0.00 C ATOM 635 OD1 ASP A 41 0.908 12.592 -2.704 1.00 0.00 O ATOM 636 OD2 ASP A 41 -0.108 12.935 -4.573 1.00 0.00 O ATOM 0 H ASP A 41 3.628 11.055 -3.065 1.00 0.00 H new ATOM 0 HA ASP A 41 0.986 9.946 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.888 12.223 -4.475 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.751 11.774 -5.731 1.00 0.00 H new ATOM 641 N GLY A 42 1.810 9.354 -6.430 1.00 0.00 N ATOM 642 CA GLY A 42 2.288 8.483 -7.543 1.00 0.00 C ATOM 643 C GLY A 42 1.195 7.553 -8.071 1.00 0.00 C ATOM 644 O GLY A 42 0.036 7.657 -7.719 1.00 0.00 O ATOM 0 H GLY A 42 0.974 9.903 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.653 9.108 -8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.132 7.886 -7.196 1.00 0.00 H new ATOM 648 N GLU A 43 1.583 6.633 -8.924 1.00 0.00 N ATOM 649 CA GLU A 43 0.607 5.664 -9.508 1.00 0.00 C ATOM 650 C GLU A 43 0.438 4.458 -8.580 1.00 0.00 C ATOM 651 O GLU A 43 1.407 3.891 -8.128 1.00 0.00 O ATOM 652 CB GLU A 43 1.251 5.220 -10.820 1.00 0.00 C ATOM 653 CG GLU A 43 0.287 4.313 -11.585 1.00 0.00 C ATOM 654 CD GLU A 43 0.522 4.472 -13.089 1.00 0.00 C ATOM 655 OE1 GLU A 43 0.030 5.438 -13.647 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.190 3.624 -13.657 1.00 0.00 O ATOM 0 H GLU A 43 2.545 6.513 -9.242 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.380 6.104 -9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.504 6.091 -11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.182 4.690 -10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.437 3.274 -11.290 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.743 4.569 -11.338 1.00 0.00 H new ATOM 663 N TRP A 44 -0.780 4.065 -8.300 1.00 0.00 N ATOM 664 CA TRP A 44 -1.008 2.893 -7.395 1.00 0.00 C ATOM 665 C TRP A 44 -1.327 1.634 -8.194 1.00 0.00 C ATOM 666 O TRP A 44 -2.136 1.644 -9.102 1.00 0.00 O ATOM 667 CB TRP A 44 -2.196 3.290 -6.528 1.00 0.00 C ATOM 668 CG TRP A 44 -1.697 4.137 -5.417 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.512 5.475 -5.471 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.294 3.716 -4.093 1.00 0.00 C ATOM 671 NE1 TRP A 44 -1.017 5.901 -4.253 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.867 4.850 -3.370 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.261 2.464 -3.457 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.417 4.748 -2.059 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.809 2.358 -2.132 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.387 3.500 -1.435 1.00 0.00 C ATOM 0 H TRP A 44 -1.628 4.505 -8.659 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.122 2.663 -6.803 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.933 3.834 -7.119 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.694 2.403 -6.136 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.717 6.106 -6.323 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.791 6.871 -4.034 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.584 1.581 -3.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.092 5.630 -1.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.786 1.393 -1.647 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.039 3.413 -0.416 1.00 0.00 H new ATOM 687 N THR A 45 -0.689 0.550 -7.847 1.00 0.00 N ATOM 688 CA THR A 45 -0.935 -0.736 -8.562 1.00 0.00 C ATOM 689 C THR A 45 -0.820 -1.881 -7.568 1.00 0.00 C ATOM 690 O THR A 45 0.114 -1.938 -6.793 1.00 0.00 O ATOM 691 CB THR A 45 0.159 -0.865 -9.634 1.00 0.00 C ATOM 692 OG1 THR A 45 1.391 -1.216 -9.017 1.00 0.00 O ATOM 693 CG2 THR A 45 0.329 0.454 -10.385 1.00 0.00 C ATOM 0 H THR A 45 -0.003 0.499 -7.094 1.00 0.00 H new ATOM 0 HA THR A 45 -1.926 -0.762 -9.015 1.00 0.00 H new ATOM 0 HB THR A 45 -0.135 -1.640 -10.342 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.087 -1.300 -9.701 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.107 0.345 -11.140 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.611 0.721 -10.868 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.612 1.238 -9.683 1.00 0.00 H new ATOM 701 N TYR A 46 -1.752 -2.789 -7.591 1.00 0.00 N ATOM 702 CA TYR A 46 -1.694 -3.940 -6.648 1.00 0.00 C ATOM 703 C TYR A 46 -1.096 -5.162 -7.360 1.00 0.00 C ATOM 704 O TYR A 46 -1.361 -5.406 -8.522 1.00 0.00 O ATOM 705 CB TYR A 46 -3.151 -4.189 -6.226 1.00 0.00 C ATOM 706 CG TYR A 46 -3.240 -5.475 -5.433 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.509 -5.613 -4.250 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.035 -6.530 -5.895 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.575 -6.806 -3.523 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.099 -7.725 -5.168 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.370 -7.863 -3.982 1.00 0.00 C ATOM 712 OH TYR A 46 -3.435 -9.040 -3.267 1.00 0.00 O ATOM 0 H TYR A 46 -2.553 -2.785 -8.222 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.064 -3.745 -5.780 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.513 -3.355 -5.626 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.790 -4.249 -7.107 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.893 -4.799 -3.897 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.598 -6.423 -6.810 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.012 -6.912 -2.607 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.711 -8.541 -5.523 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.032 -9.668 -3.724 1.00 0.00 H new ATOM 722 N ASP A 47 -0.301 -5.928 -6.660 1.00 0.00 N ATOM 723 CA ASP A 47 0.313 -7.140 -7.276 1.00 0.00 C ATOM 724 C ASP A 47 -0.250 -8.399 -6.612 1.00 0.00 C ATOM 725 O ASP A 47 0.156 -8.773 -5.527 1.00 0.00 O ATOM 726 CB ASP A 47 1.812 -7.012 -7.001 1.00 0.00 C ATOM 727 CG ASP A 47 2.354 -5.761 -7.697 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.100 -5.609 -8.881 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.014 -4.977 -7.036 1.00 0.00 O ATOM 0 H ASP A 47 -0.050 -5.765 -5.685 1.00 0.00 H new ATOM 0 HA ASP A 47 0.104 -7.217 -8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.992 -6.951 -5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.336 -7.897 -7.362 1.00 0.00 H new ATOM 734 N ASP A 48 -1.182 -9.055 -7.260 1.00 0.00 N ATOM 735 CA ASP A 48 -1.782 -10.295 -6.675 1.00 0.00 C ATOM 736 C ASP A 48 -0.782 -11.463 -6.688 1.00 0.00 C ATOM 737 O ASP A 48 -1.057 -12.524 -6.158 1.00 0.00 O ATOM 738 CB ASP A 48 -2.985 -10.617 -7.563 1.00 0.00 C ATOM 739 CG ASP A 48 -3.744 -11.813 -6.984 1.00 0.00 C ATOM 740 OD1 ASP A 48 -4.395 -11.641 -5.967 1.00 0.00 O ATOM 741 OD2 ASP A 48 -3.660 -12.882 -7.567 1.00 0.00 O ATOM 0 H ASP A 48 -1.554 -8.785 -8.171 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.064 -10.144 -5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.644 -9.751 -7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.652 -10.840 -8.577 1.00 0.00 H new ATOM 746 N ALA A 49 0.376 -11.278 -7.275 1.00 0.00 N ATOM 747 CA ALA A 49 1.391 -12.370 -7.310 1.00 0.00 C ATOM 748 C ALA A 49 2.257 -12.302 -6.053 1.00 0.00 C ATOM 749 O ALA A 49 2.760 -13.304 -5.580 1.00 0.00 O ATOM 750 CB ALA A 49 2.230 -12.094 -8.558 1.00 0.00 C ATOM 0 H ALA A 49 0.660 -10.412 -7.733 1.00 0.00 H new ATOM 0 HA ALA A 49 0.940 -13.362 -7.341 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.002 -12.858 -8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.589 -12.114 -9.439 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.698 -11.114 -8.472 1.00 0.00 H new ATOM 756 N THR A 50 2.420 -11.126 -5.501 1.00 0.00 N ATOM 757 CA THR A 50 3.237 -10.980 -4.264 1.00 0.00 C ATOM 758 C THR A 50 2.451 -10.199 -3.202 1.00 0.00 C ATOM 759 O THR A 50 2.984 -9.843 -2.169 1.00 0.00 O ATOM 760 CB THR A 50 4.478 -10.197 -4.696 1.00 0.00 C ATOM 761 OG1 THR A 50 4.084 -8.943 -5.235 1.00 0.00 O ATOM 762 CG2 THR A 50 5.240 -10.993 -5.756 1.00 0.00 C ATOM 0 H THR A 50 2.019 -10.258 -5.858 1.00 0.00 H new ATOM 0 HA THR A 50 3.497 -11.943 -3.825 1.00 0.00 H new ATOM 0 HB THR A 50 5.123 -10.033 -3.833 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.879 -8.441 -5.510 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.124 -10.435 -6.064 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.544 -11.954 -5.341 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.596 -11.158 -6.620 1.00 0.00 H new ATOM 770 N LYS A 51 1.184 -9.922 -3.448 1.00 0.00 N ATOM 771 CA LYS A 51 0.361 -9.156 -2.454 1.00 0.00 C ATOM 772 C LYS A 51 1.053 -7.834 -2.105 1.00 0.00 C ATOM 773 O LYS A 51 1.093 -7.428 -0.961 1.00 0.00 O ATOM 774 CB LYS A 51 0.260 -10.054 -1.212 1.00 0.00 C ATOM 775 CG LYS A 51 -0.360 -11.402 -1.594 1.00 0.00 C ATOM 776 CD LYS A 51 -1.811 -11.193 -2.031 1.00 0.00 C ATOM 777 CE LYS A 51 -2.445 -12.548 -2.358 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.167 -12.946 -1.118 1.00 0.00 N ATOM 0 H LYS A 51 0.688 -10.195 -4.296 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.625 -8.911 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.250 -10.208 -0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.347 -9.567 -0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.211 -11.861 -2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.320 -12.086 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.373 -10.698 -1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.849 -10.541 -2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.128 -12.470 -3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.687 -13.284 -2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.628 -13.867 -1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.491 -13.019 -0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.887 -12.231 -0.891 1.00 0.00 H new ATOM 792 N THR A 52 1.611 -7.172 -3.088 1.00 0.00 N ATOM 793 CA THR A 52 2.316 -5.882 -2.814 1.00 0.00 C ATOM 794 C THR A 52 1.806 -4.769 -3.737 1.00 0.00 C ATOM 795 O THR A 52 1.694 -4.948 -4.934 1.00 0.00 O ATOM 796 CB THR A 52 3.791 -6.176 -3.095 1.00 0.00 C ATOM 797 OG1 THR A 52 4.212 -7.275 -2.299 1.00 0.00 O ATOM 798 CG2 THR A 52 4.633 -4.946 -2.756 1.00 0.00 C ATOM 0 H THR A 52 1.609 -7.467 -4.064 1.00 0.00 H new ATOM 0 HA THR A 52 2.148 -5.536 -1.794 1.00 0.00 H new ATOM 0 HB THR A 52 3.919 -6.420 -4.150 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.714 -8.078 -2.560 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.683 -5.157 -2.957 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.309 -4.104 -3.367 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.508 -4.699 -1.702 1.00 0.00 H new ATOM 806 N PHE A 53 1.509 -3.618 -3.184 1.00 0.00 N ATOM 807 CA PHE A 53 1.020 -2.480 -4.020 1.00 0.00 C ATOM 808 C PHE A 53 2.230 -1.695 -4.559 1.00 0.00 C ATOM 809 O PHE A 53 3.359 -2.112 -4.371 1.00 0.00 O ATOM 810 CB PHE A 53 0.170 -1.630 -3.073 1.00 0.00 C ATOM 811 CG PHE A 53 -1.110 -2.369 -2.742 1.00 0.00 C ATOM 812 CD1 PHE A 53 -1.121 -3.328 -1.719 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.285 -2.099 -3.457 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.306 -4.014 -1.412 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.463 -2.787 -3.150 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.475 -3.742 -2.129 1.00 0.00 C ATOM 0 H PHE A 53 1.585 -3.418 -2.187 1.00 0.00 H new ATOM 0 HA PHE A 53 0.438 -2.797 -4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.726 -1.417 -2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.061 -0.671 -3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.217 -3.539 -1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.280 -1.360 -4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.315 -4.751 -0.623 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.367 -2.580 -3.704 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.388 -4.270 -1.894 1.00 0.00 H new ATOM 826 N THR A 54 2.025 -0.572 -5.223 1.00 0.00 N ATOM 827 CA THR A 54 3.188 0.197 -5.753 1.00 0.00 C ATOM 828 C THR A 54 2.769 1.644 -5.966 1.00 0.00 C ATOM 829 O THR A 54 1.895 1.927 -6.752 1.00 0.00 O ATOM 830 CB THR A 54 3.548 -0.453 -7.095 1.00 0.00 C ATOM 831 OG1 THR A 54 3.376 -1.861 -7.013 1.00 0.00 O ATOM 832 CG2 THR A 54 5.004 -0.137 -7.439 1.00 0.00 C ATOM 0 H THR A 54 1.109 -0.166 -5.415 1.00 0.00 H new ATOM 0 HA THR A 54 4.037 0.185 -5.070 1.00 0.00 H new ATOM 0 HB THR A 54 2.893 -0.057 -7.872 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.671 -2.141 -7.634 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.261 -0.598 -8.392 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.135 0.943 -7.511 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.656 -0.530 -6.659 1.00 0.00 H new ATOM 840 N VAL A 55 3.389 2.548 -5.269 1.00 0.00 N ATOM 841 CA VAL A 55 3.036 3.994 -5.418 1.00 0.00 C ATOM 842 C VAL A 55 4.246 4.746 -5.985 1.00 0.00 C ATOM 843 O VAL A 55 5.134 5.162 -5.267 1.00 0.00 O ATOM 844 CB VAL A 55 2.613 4.474 -4.002 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.576 3.968 -2.925 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.553 6.004 -3.943 1.00 0.00 C ATOM 0 H VAL A 55 4.131 2.353 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 55 2.218 4.176 -6.115 1.00 0.00 H new ATOM 0 HB VAL A 55 1.623 4.062 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.248 4.323 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.587 2.878 -2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.579 4.342 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.255 6.318 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.535 6.416 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.826 6.368 -4.669 1.00 0.00 H new ATOM 856 N THR A 56 4.284 4.891 -7.289 1.00 0.00 N ATOM 857 CA THR A 56 5.431 5.580 -7.953 1.00 0.00 C ATOM 858 C THR A 56 5.170 7.103 -8.016 1.00 0.00 C ATOM 859 O THR A 56 4.477 7.601 -8.883 1.00 0.00 O ATOM 860 CB THR A 56 5.525 4.862 -9.341 1.00 0.00 C ATOM 861 OG1 THR A 56 6.740 4.133 -9.398 1.00 0.00 O ATOM 862 CG2 THR A 56 5.478 5.826 -10.534 1.00 0.00 C ATOM 0 H THR A 56 3.560 4.557 -7.926 1.00 0.00 H new ATOM 0 HA THR A 56 6.384 5.509 -7.428 1.00 0.00 H new ATOM 0 HB THR A 56 4.654 4.211 -9.419 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.479 4.745 -9.597 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.548 5.259 -11.463 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.540 6.381 -10.517 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.313 6.524 -10.471 1.00 0.00 H new ATOM 870 N GLU A 57 5.706 7.842 -7.076 1.00 0.00 N ATOM 871 CA GLU A 57 5.480 9.325 -7.061 1.00 0.00 C ATOM 872 C GLU A 57 6.015 9.955 -8.350 1.00 0.00 C ATOM 873 O GLU A 57 7.224 10.030 -8.492 1.00 0.00 O ATOM 874 CB GLU A 57 6.262 9.840 -5.850 1.00 0.00 C ATOM 875 CG GLU A 57 5.932 11.315 -5.620 1.00 0.00 C ATOM 876 CD GLU A 57 6.042 11.634 -4.128 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.116 11.446 -3.580 1.00 0.00 O ATOM 878 OE2 GLU A 57 5.051 12.060 -3.558 1.00 0.00 O ATOM 879 OXT GLU A 57 5.206 10.353 -9.172 1.00 0.00 O ATOM 0 H GLU A 57 6.289 7.486 -6.319 1.00 0.00 H new ATOM 0 HA GLU A 57 4.421 9.577 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.008 9.257 -4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.332 9.717 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.616 11.945 -6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.925 11.534 -5.977 1.00 0.00 H new TER 886 GLU A 57