USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 428 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 50 THR OG1 : rot 180:sc= 0.0313 USER MOD Set 1.2: A 52 THR OG1 : rot 119:sc= -0.27 USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= -0.371 USER MOD Set 2.2: A 34 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0677 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 140:sc= 1.13 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 9 ASN : amide:sc= -0.0306 X(o=-0.031,f=-0.18) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 178:sc= 0.00289 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -120:sc= -0.044 USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.0762 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= -0.783 K(o=-0.78,f=-0.24) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.954 K(o=-0.95,f=-2.3) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 46 TYR OH : rot 180:sc= -2.07 USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= -0.0955 (180deg=-0.665) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -18:sc= 0.0207 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.938 2.112 3.639 1.00 0.00 N ATOM 2 CA MET A 1 -15.839 2.398 2.672 1.00 0.00 C ATOM 3 C MET A 1 -14.976 1.149 2.472 1.00 0.00 C ATOM 4 O MET A 1 -15.171 0.140 3.122 1.00 0.00 O ATOM 5 CB MET A 1 -15.023 3.517 3.320 1.00 0.00 C ATOM 6 CG MET A 1 -15.507 4.871 2.797 1.00 0.00 C ATOM 7 SD MET A 1 -14.666 6.200 3.693 1.00 0.00 S ATOM 8 CE MET A 1 -13.813 6.927 2.272 1.00 0.00 C ATOM 0 H1 MET A 1 -17.003 2.887 4.330 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.839 2.029 3.126 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.739 1.221 4.136 1.00 0.00 H new ATOM 0 HA MET A 1 -16.215 2.685 1.690 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.127 3.476 4.404 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.964 3.386 3.096 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.305 4.954 1.729 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.586 4.958 2.925 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.221 7.781 2.601 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.156 6.183 1.822 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.547 7.255 1.536 1.00 0.00 H new ATOM 20 N THR A 2 -14.024 1.214 1.576 1.00 0.00 N ATOM 21 CA THR A 2 -13.142 0.035 1.325 1.00 0.00 C ATOM 22 C THR A 2 -11.806 0.208 2.054 1.00 0.00 C ATOM 23 O THR A 2 -11.013 1.068 1.718 1.00 0.00 O ATOM 24 CB THR A 2 -12.933 0.013 -0.189 1.00 0.00 C ATOM 25 OG1 THR A 2 -14.193 -0.084 -0.837 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.068 -1.189 -0.570 1.00 0.00 C ATOM 0 H THR A 2 -13.819 2.035 1.006 1.00 0.00 H new ATOM 0 HA THR A 2 -13.580 -0.895 1.688 1.00 0.00 H new ATOM 0 HB THR A 2 -12.433 0.930 -0.500 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.197 0.490 -1.632 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.920 -1.203 -1.650 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.101 -1.114 -0.072 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.565 -2.108 -0.260 1.00 0.00 H new ATOM 34 N THR A 3 -11.560 -0.602 3.051 1.00 0.00 N ATOM 35 CA THR A 3 -10.288 -0.496 3.813 1.00 0.00 C ATOM 36 C THR A 3 -9.190 -1.345 3.159 1.00 0.00 C ATOM 37 O THR A 3 -9.172 -2.556 3.275 1.00 0.00 O ATOM 38 CB THR A 3 -10.611 -1.003 5.226 1.00 0.00 C ATOM 39 OG1 THR A 3 -9.439 -0.938 6.026 1.00 0.00 O ATOM 40 CG2 THR A 3 -11.112 -2.452 5.177 1.00 0.00 C ATOM 0 H THR A 3 -12.192 -1.336 3.369 1.00 0.00 H new ATOM 0 HA THR A 3 -9.913 0.527 3.833 1.00 0.00 H new ATOM 0 HB THR A 3 -11.393 -0.376 5.655 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.641 -1.259 6.929 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.336 -2.794 6.187 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.014 -2.505 4.568 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.342 -3.089 4.741 1.00 0.00 H new ATOM 48 N PHE A 4 -8.271 -0.712 2.475 1.00 0.00 N ATOM 49 CA PHE A 4 -7.165 -1.470 1.814 1.00 0.00 C ATOM 50 C PHE A 4 -6.013 -1.676 2.801 1.00 0.00 C ATOM 51 O PHE A 4 -6.048 -1.191 3.916 1.00 0.00 O ATOM 52 CB PHE A 4 -6.712 -0.583 0.653 1.00 0.00 C ATOM 53 CG PHE A 4 -7.763 -0.565 -0.424 1.00 0.00 C ATOM 54 CD1 PHE A 4 -7.753 -1.535 -1.432 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.741 0.433 -0.419 1.00 0.00 C ATOM 56 CE1 PHE A 4 -8.726 -1.506 -2.436 1.00 0.00 C ATOM 57 CE2 PHE A 4 -9.711 0.464 -1.423 1.00 0.00 C ATOM 58 CZ PHE A 4 -9.704 -0.506 -2.432 1.00 0.00 C ATOM 0 H PHE A 4 -8.239 0.299 2.345 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.484 -2.455 1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.528 0.430 1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.771 -0.954 0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.995 -2.305 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.747 1.180 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.722 -2.255 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.466 1.236 -1.421 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.454 -0.482 -3.208 1.00 0.00 H new ATOM 68 N LYS A 5 -4.991 -2.388 2.397 1.00 0.00 N ATOM 69 CA LYS A 5 -3.830 -2.622 3.308 1.00 0.00 C ATOM 70 C LYS A 5 -2.530 -2.699 2.501 1.00 0.00 C ATOM 71 O LYS A 5 -2.344 -3.590 1.694 1.00 0.00 O ATOM 72 CB LYS A 5 -4.120 -3.960 3.989 1.00 0.00 C ATOM 73 CG LYS A 5 -3.106 -4.188 5.111 1.00 0.00 C ATOM 74 CD LYS A 5 -2.996 -5.684 5.407 1.00 0.00 C ATOM 75 CE LYS A 5 -4.077 -6.086 6.412 1.00 0.00 C ATOM 76 NZ LYS A 5 -3.757 -7.494 6.778 1.00 0.00 N ATOM 0 H LYS A 5 -4.911 -2.817 1.475 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.706 -1.817 4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.133 -3.964 4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.064 -4.770 3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.133 -3.792 4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.414 -3.651 6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.109 -6.257 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.009 -5.915 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.063 -5.437 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.072 -6.008 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.456 -7.841 7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.785 -8.089 5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.807 -7.536 7.199 1.00 0.00 H new ATOM 90 N LEU A 6 -1.631 -1.770 2.716 1.00 0.00 N ATOM 91 CA LEU A 6 -0.340 -1.784 1.966 1.00 0.00 C ATOM 92 C LEU A 6 0.733 -2.522 2.775 1.00 0.00 C ATOM 93 O LEU A 6 1.050 -2.140 3.886 1.00 0.00 O ATOM 94 CB LEU A 6 0.038 -0.304 1.787 1.00 0.00 C ATOM 95 CG LEU A 6 1.434 -0.180 1.153 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.392 -0.687 -0.290 1.00 0.00 C ATOM 97 CD2 LEU A 6 1.875 1.285 1.168 1.00 0.00 C ATOM 0 H LEU A 6 -1.737 -1.003 3.379 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.425 -2.298 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.700 0.193 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.024 0.201 2.753 1.00 0.00 H new ATOM 0 HG LEU A 6 2.143 -0.778 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.383 -0.598 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.083 -1.732 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.681 -0.093 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.864 1.372 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.164 1.885 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.911 1.644 2.197 1.00 0.00 H new ATOM 109 N ILE A 7 1.313 -3.554 2.214 1.00 0.00 N ATOM 110 CA ILE A 7 2.387 -4.288 2.942 1.00 0.00 C ATOM 111 C ILE A 7 3.631 -3.385 3.000 1.00 0.00 C ATOM 112 O ILE A 7 3.663 -2.341 2.373 1.00 0.00 O ATOM 113 CB ILE A 7 2.611 -5.592 2.131 1.00 0.00 C ATOM 114 CG1 ILE A 7 3.066 -6.704 3.079 1.00 0.00 C ATOM 115 CG2 ILE A 7 3.664 -5.413 1.025 1.00 0.00 C ATOM 116 CD1 ILE A 7 1.921 -7.065 4.028 1.00 0.00 C ATOM 0 H ILE A 7 1.089 -3.917 1.287 1.00 0.00 H new ATOM 0 HA ILE A 7 2.141 -4.541 3.973 1.00 0.00 H new ATOM 0 HB ILE A 7 1.666 -5.852 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.370 -7.581 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.936 -6.377 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.787 -6.351 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.337 -4.636 0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.615 -5.124 1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.244 -7.857 4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.638 -6.186 4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.064 -7.409 3.449 1.00 0.00 H new ATOM 128 N ILE A 8 4.641 -3.763 3.738 1.00 0.00 N ATOM 129 CA ILE A 8 5.858 -2.901 3.815 1.00 0.00 C ATOM 130 C ILE A 8 7.124 -3.738 3.609 1.00 0.00 C ATOM 131 O ILE A 8 7.886 -3.958 4.531 1.00 0.00 O ATOM 132 CB ILE A 8 5.822 -2.288 5.220 1.00 0.00 C ATOM 133 CG1 ILE A 8 4.530 -1.482 5.395 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.021 -1.357 5.417 1.00 0.00 C ATOM 135 CD1 ILE A 8 4.407 -1.021 6.848 1.00 0.00 C ATOM 0 H ILE A 8 4.677 -4.623 4.286 1.00 0.00 H new ATOM 0 HA ILE A 8 5.871 -2.134 3.041 1.00 0.00 H new ATOM 0 HB ILE A 8 5.862 -3.091 5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.534 -0.620 4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.669 -2.092 5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.987 -0.926 6.418 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.945 -1.923 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.986 -0.558 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.488 -0.448 6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.383 -1.891 7.505 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.262 -0.395 7.105 1.00 0.00 H new ATOM 147 N ASN A 9 7.362 -4.189 2.401 1.00 0.00 N ATOM 148 CA ASN A 9 8.594 -4.990 2.134 1.00 0.00 C ATOM 149 C ASN A 9 9.688 -4.062 1.604 1.00 0.00 C ATOM 150 O ASN A 9 10.331 -4.338 0.609 1.00 0.00 O ATOM 151 CB ASN A 9 8.186 -6.024 1.077 1.00 0.00 C ATOM 152 CG ASN A 9 8.113 -7.415 1.713 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.052 -7.857 2.345 1.00 0.00 O ATOM 154 ND2 ASN A 9 7.029 -8.128 1.571 1.00 0.00 N ATOM 0 H ASN A 9 6.758 -4.037 1.593 1.00 0.00 H new ATOM 0 HA ASN A 9 8.985 -5.478 3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.219 -5.758 0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.907 -6.025 0.259 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.970 -9.056 1.991 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.241 -7.757 1.041 1.00 0.00 H new ATOM 161 N GLY A 10 9.889 -2.954 2.269 1.00 0.00 N ATOM 162 CA GLY A 10 10.925 -1.978 1.826 1.00 0.00 C ATOM 163 C GLY A 10 12.105 -1.998 2.794 1.00 0.00 C ATOM 164 O GLY A 10 11.984 -2.424 3.928 1.00 0.00 O ATOM 0 H GLY A 10 9.375 -2.683 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.264 -2.226 0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.498 -0.976 1.780 1.00 0.00 H new ATOM 168 N LYS A 11 13.242 -1.527 2.355 1.00 0.00 N ATOM 169 CA LYS A 11 14.440 -1.499 3.245 1.00 0.00 C ATOM 170 C LYS A 11 14.324 -0.360 4.271 1.00 0.00 C ATOM 171 O LYS A 11 15.149 -0.236 5.156 1.00 0.00 O ATOM 172 CB LYS A 11 15.626 -1.258 2.310 1.00 0.00 C ATOM 173 CG LYS A 11 16.933 -1.551 3.049 1.00 0.00 C ATOM 174 CD LYS A 11 18.075 -0.764 2.402 1.00 0.00 C ATOM 175 CE LYS A 11 18.552 -1.495 1.145 1.00 0.00 C ATOM 176 NZ LYS A 11 19.974 -1.086 0.980 1.00 0.00 N ATOM 0 H LYS A 11 13.393 -1.159 1.416 1.00 0.00 H new ATOM 0 HA LYS A 11 14.548 -2.423 3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.543 -1.896 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.620 -0.227 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.838 -1.277 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.150 -2.619 3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.739 0.241 2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.900 -0.654 3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.462 -2.575 1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.957 -1.215 0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 20.372 -1.547 0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.027 -0.053 0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.517 -1.371 1.820 1.00 0.00 H new ATOM 190 N THR A 12 13.312 0.475 4.160 1.00 0.00 N ATOM 191 CA THR A 12 13.160 1.598 5.128 1.00 0.00 C ATOM 192 C THR A 12 12.119 1.252 6.199 1.00 0.00 C ATOM 193 O THR A 12 12.175 1.752 7.307 1.00 0.00 O ATOM 194 CB THR A 12 12.711 2.797 4.282 1.00 0.00 C ATOM 195 OG1 THR A 12 12.576 3.938 5.117 1.00 0.00 O ATOM 196 CG2 THR A 12 11.371 2.502 3.603 1.00 0.00 C ATOM 0 H THR A 12 12.591 0.422 3.441 1.00 0.00 H new ATOM 0 HA THR A 12 14.086 1.809 5.663 1.00 0.00 H new ATOM 0 HB THR A 12 13.460 2.986 3.513 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.315 4.711 4.575 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.068 3.363 3.007 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.475 1.631 2.956 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.615 2.302 4.362 1.00 0.00 H new ATOM 204 N LEU A 13 11.172 0.403 5.879 1.00 0.00 N ATOM 205 CA LEU A 13 10.130 0.032 6.884 1.00 0.00 C ATOM 206 C LEU A 13 9.741 -1.442 6.737 1.00 0.00 C ATOM 207 O LEU A 13 10.020 -2.070 5.733 1.00 0.00 O ATOM 208 CB LEU A 13 8.937 0.937 6.571 1.00 0.00 C ATOM 209 CG LEU A 13 9.125 2.289 7.262 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.133 3.300 6.685 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.874 2.133 8.764 1.00 0.00 C ATOM 0 H LEU A 13 11.077 -0.047 4.969 1.00 0.00 H new ATOM 0 HA LEU A 13 10.484 0.161 7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.846 1.077 5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.013 0.469 6.911 1.00 0.00 H new ATOM 0 HG LEU A 13 10.143 2.642 7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.267 4.263 7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.308 3.412 5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.115 2.946 6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.008 3.096 9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.856 1.780 8.928 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.579 1.412 9.178 1.00 0.00 H new ATOM 223 N LYS A 14 9.099 -1.995 7.736 1.00 0.00 N ATOM 224 CA LYS A 14 8.684 -3.429 7.668 1.00 0.00 C ATOM 225 C LYS A 14 7.378 -3.639 8.441 1.00 0.00 C ATOM 226 O LYS A 14 7.235 -3.195 9.565 1.00 0.00 O ATOM 227 CB LYS A 14 9.828 -4.203 8.326 1.00 0.00 C ATOM 228 CG LYS A 14 10.052 -5.518 7.575 1.00 0.00 C ATOM 229 CD LYS A 14 10.664 -6.550 8.523 1.00 0.00 C ATOM 230 CE LYS A 14 10.183 -7.950 8.134 1.00 0.00 C ATOM 231 NZ LYS A 14 11.051 -8.883 8.904 1.00 0.00 N ATOM 0 H LYS A 14 8.844 -1.513 8.598 1.00 0.00 H new ATOM 0 HA LYS A 14 8.503 -3.759 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.740 -3.605 8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.592 -4.404 9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.106 -5.888 7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.712 -5.355 6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.752 -6.502 8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.379 -6.329 9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.132 -8.090 8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.279 -8.116 7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.782 -9.864 8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.045 -8.731 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.934 -8.706 9.922 1.00 0.00 H new ATOM 245 N GLY A 15 6.425 -4.313 7.844 1.00 0.00 N ATOM 246 CA GLY A 15 5.126 -4.556 8.535 1.00 0.00 C ATOM 247 C GLY A 15 3.972 -4.300 7.563 1.00 0.00 C ATOM 248 O GLY A 15 3.983 -4.767 6.439 1.00 0.00 O ATOM 0 H GLY A 15 6.494 -4.705 6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.084 -5.581 8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.036 -3.902 9.402 1.00 0.00 H new ATOM 252 N GLU A 16 2.977 -3.563 7.988 1.00 0.00 N ATOM 253 CA GLU A 16 1.814 -3.273 7.094 1.00 0.00 C ATOM 254 C GLU A 16 1.017 -2.077 7.628 1.00 0.00 C ATOM 255 O GLU A 16 1.099 -1.737 8.793 1.00 0.00 O ATOM 256 CB GLU A 16 0.963 -4.549 7.115 1.00 0.00 C ATOM 257 CG GLU A 16 0.524 -4.868 8.551 1.00 0.00 C ATOM 258 CD GLU A 16 0.625 -6.375 8.799 1.00 0.00 C ATOM 259 OE1 GLU A 16 1.589 -6.967 8.343 1.00 0.00 O ATOM 260 OE2 GLU A 16 -0.263 -6.911 9.442 1.00 0.00 O ATOM 0 H GLU A 16 2.920 -3.148 8.918 1.00 0.00 H new ATOM 0 HA GLU A 16 2.127 -3.014 6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.087 -4.422 6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.534 -5.383 6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.152 -4.330 9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.500 -4.531 8.712 1.00 0.00 H new ATOM 267 N THR A 17 0.249 -1.438 6.781 1.00 0.00 N ATOM 268 CA THR A 17 -0.556 -0.262 7.231 1.00 0.00 C ATOM 269 C THR A 17 -1.955 -0.306 6.607 1.00 0.00 C ATOM 270 O THR A 17 -2.200 -1.037 5.666 1.00 0.00 O ATOM 271 CB THR A 17 0.216 0.960 6.731 1.00 0.00 C ATOM 272 OG1 THR A 17 1.552 0.902 7.210 1.00 0.00 O ATOM 273 CG2 THR A 17 -0.456 2.235 7.241 1.00 0.00 C ATOM 0 H THR A 17 0.145 -1.681 5.796 1.00 0.00 H new ATOM 0 HA THR A 17 -0.692 -0.245 8.312 1.00 0.00 H new ATOM 0 HB THR A 17 0.220 0.966 5.641 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.049 1.684 6.889 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.095 3.105 6.884 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.481 2.279 6.872 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.462 2.232 8.331 1.00 0.00 H new ATOM 281 N THR A 18 -2.870 0.474 7.126 1.00 0.00 N ATOM 282 CA THR A 18 -4.256 0.486 6.570 1.00 0.00 C ATOM 283 C THR A 18 -4.756 1.926 6.423 1.00 0.00 C ATOM 284 O THR A 18 -4.149 2.856 6.920 1.00 0.00 O ATOM 285 CB THR A 18 -5.101 -0.273 7.595 1.00 0.00 C ATOM 286 OG1 THR A 18 -4.872 0.268 8.888 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.716 -1.752 7.582 1.00 0.00 C ATOM 0 H THR A 18 -2.715 1.104 7.913 1.00 0.00 H new ATOM 0 HA THR A 18 -4.307 0.030 5.581 1.00 0.00 H new ATOM 0 HB THR A 18 -6.156 -0.174 7.341 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.414 -0.216 9.546 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.319 -2.291 8.313 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.893 -2.165 6.589 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.661 -1.856 7.835 1.00 0.00 H new ATOM 295 N THR A 19 -5.860 2.113 5.744 1.00 0.00 N ATOM 296 CA THR A 19 -6.410 3.490 5.559 1.00 0.00 C ATOM 297 C THR A 19 -7.864 3.419 5.081 1.00 0.00 C ATOM 298 O THR A 19 -8.354 2.368 4.713 1.00 0.00 O ATOM 299 CB THR A 19 -5.516 4.142 4.495 1.00 0.00 C ATOM 300 OG1 THR A 19 -5.974 5.463 4.240 1.00 0.00 O ATOM 301 CG2 THR A 19 -5.560 3.326 3.198 1.00 0.00 C ATOM 0 H THR A 19 -6.405 1.369 5.309 1.00 0.00 H new ATOM 0 HA THR A 19 -6.412 4.062 6.487 1.00 0.00 H new ATOM 0 HB THR A 19 -4.490 4.172 4.861 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.222 5.547 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.922 3.797 2.450 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.204 2.314 3.392 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.585 3.286 2.828 1.00 0.00 H new ATOM 309 N GLU A 20 -8.555 4.531 5.086 1.00 0.00 N ATOM 310 CA GLU A 20 -9.979 4.538 4.636 1.00 0.00 C ATOM 311 C GLU A 20 -10.082 5.088 3.211 1.00 0.00 C ATOM 312 O GLU A 20 -9.772 6.237 2.957 1.00 0.00 O ATOM 313 CB GLU A 20 -10.699 5.458 5.620 1.00 0.00 C ATOM 314 CG GLU A 20 -10.636 4.854 7.024 1.00 0.00 C ATOM 315 CD GLU A 20 -11.473 5.701 7.983 1.00 0.00 C ATOM 316 OE1 GLU A 20 -11.475 6.911 7.826 1.00 0.00 O ATOM 317 OE2 GLU A 20 -12.098 5.126 8.859 1.00 0.00 O ATOM 0 H GLU A 20 -8.192 5.437 5.383 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.413 3.538 4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.237 6.445 5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.737 5.591 5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.008 3.830 7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.602 4.812 7.367 1.00 0.00 H new ATOM 324 N ALA A 21 -10.518 4.275 2.283 1.00 0.00 N ATOM 325 CA ALA A 21 -10.648 4.740 0.869 1.00 0.00 C ATOM 326 C ALA A 21 -11.863 4.085 0.210 1.00 0.00 C ATOM 327 O ALA A 21 -12.161 2.931 0.452 1.00 0.00 O ATOM 328 CB ALA A 21 -9.358 4.285 0.183 1.00 0.00 C ATOM 0 H ALA A 21 -10.791 3.305 2.444 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.789 5.819 0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.375 4.589 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.502 4.741 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.277 3.200 0.244 1.00 0.00 H new ATOM 334 N VAL A 22 -12.565 4.812 -0.625 1.00 0.00 N ATOM 335 CA VAL A 22 -13.761 4.238 -1.310 1.00 0.00 C ATOM 336 C VAL A 22 -13.364 2.986 -2.103 1.00 0.00 C ATOM 337 O VAL A 22 -14.098 2.018 -2.163 1.00 0.00 O ATOM 338 CB VAL A 22 -14.254 5.348 -2.246 1.00 0.00 C ATOM 339 CG1 VAL A 22 -14.628 6.585 -1.426 1.00 0.00 C ATOM 340 CG2 VAL A 22 -13.159 5.719 -3.254 1.00 0.00 C ATOM 0 H VAL A 22 -12.358 5.783 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.536 3.931 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.129 4.987 -2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.978 7.372 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.419 6.329 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.754 6.936 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.523 6.508 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.276 6.070 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.899 4.843 -3.848 1.00 0.00 H new ATOM 350 N ASP A 23 -12.199 3.004 -2.700 1.00 0.00 N ATOM 351 CA ASP A 23 -11.725 1.824 -3.485 1.00 0.00 C ATOM 352 C ASP A 23 -10.269 2.036 -3.911 1.00 0.00 C ATOM 353 O ASP A 23 -9.624 2.977 -3.490 1.00 0.00 O ATOM 354 CB ASP A 23 -12.640 1.747 -4.708 1.00 0.00 C ATOM 355 CG ASP A 23 -12.780 0.289 -5.149 1.00 0.00 C ATOM 356 OD1 ASP A 23 -13.493 -0.445 -4.484 1.00 0.00 O ATOM 357 OD2 ASP A 23 -12.171 -0.070 -6.144 1.00 0.00 O ATOM 0 H ASP A 23 -11.551 3.792 -2.677 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.762 0.902 -2.905 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.619 2.162 -4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.230 2.346 -5.521 1.00 0.00 H new ATOM 362 N ALA A 24 -9.746 1.163 -4.735 1.00 0.00 N ATOM 363 CA ALA A 24 -8.326 1.298 -5.189 1.00 0.00 C ATOM 364 C ALA A 24 -8.066 2.687 -5.793 1.00 0.00 C ATOM 365 O ALA A 24 -6.941 3.148 -5.839 1.00 0.00 O ATOM 366 CB ALA A 24 -8.139 0.215 -6.254 1.00 0.00 C ATOM 0 H ALA A 24 -10.244 0.358 -5.115 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.630 1.186 -4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.118 0.252 -6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.327 -0.764 -5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.838 0.385 -7.073 1.00 0.00 H new ATOM 372 N ALA A 25 -9.096 3.349 -6.259 1.00 0.00 N ATOM 373 CA ALA A 25 -8.910 4.705 -6.868 1.00 0.00 C ATOM 374 C ALA A 25 -8.289 5.674 -5.855 1.00 0.00 C ATOM 375 O ALA A 25 -7.498 6.528 -6.211 1.00 0.00 O ATOM 376 CB ALA A 25 -10.317 5.169 -7.255 1.00 0.00 C ATOM 0 H ALA A 25 -10.058 3.010 -6.245 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.238 4.674 -7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.262 6.158 -7.709 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.749 4.466 -7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.943 5.213 -6.364 1.00 0.00 H new ATOM 382 N THR A 26 -8.645 5.553 -4.601 1.00 0.00 N ATOM 383 CA THR A 26 -8.082 6.473 -3.565 1.00 0.00 C ATOM 384 C THR A 26 -7.058 5.744 -2.688 1.00 0.00 C ATOM 385 O THR A 26 -6.176 6.355 -2.114 1.00 0.00 O ATOM 386 CB THR A 26 -9.286 6.907 -2.729 1.00 0.00 C ATOM 387 OG1 THR A 26 -10.330 7.336 -3.592 1.00 0.00 O ATOM 388 CG2 THR A 26 -8.881 8.056 -1.804 1.00 0.00 C ATOM 0 H THR A 26 -9.302 4.856 -4.249 1.00 0.00 H new ATOM 0 HA THR A 26 -7.562 7.320 -4.012 1.00 0.00 H new ATOM 0 HB THR A 26 -9.633 6.066 -2.128 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.958 7.897 -3.091 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.741 8.364 -1.209 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.081 7.725 -1.142 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.533 8.899 -2.401 1.00 0.00 H new ATOM 396 N ALA A 27 -7.172 4.444 -2.576 1.00 0.00 N ATOM 397 CA ALA A 27 -6.209 3.669 -1.727 1.00 0.00 C ATOM 398 C ALA A 27 -4.768 3.889 -2.202 1.00 0.00 C ATOM 399 O ALA A 27 -3.932 4.377 -1.465 1.00 0.00 O ATOM 400 CB ALA A 27 -6.611 2.204 -1.904 1.00 0.00 C ATOM 0 H ALA A 27 -7.890 3.884 -3.035 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.246 3.982 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.950 1.571 -1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.640 2.066 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.530 1.929 -2.956 1.00 0.00 H new ATOM 406 N GLU A 28 -4.475 3.530 -3.427 1.00 0.00 N ATOM 407 CA GLU A 28 -3.085 3.711 -3.961 1.00 0.00 C ATOM 408 C GLU A 28 -2.657 5.178 -3.861 1.00 0.00 C ATOM 409 O GLU A 28 -1.530 5.475 -3.524 1.00 0.00 O ATOM 410 CB GLU A 28 -3.158 3.273 -5.426 1.00 0.00 C ATOM 411 CG GLU A 28 -1.750 2.965 -5.937 1.00 0.00 C ATOM 412 CD GLU A 28 -1.842 2.228 -7.275 1.00 0.00 C ATOM 413 OE1 GLU A 28 -1.988 1.017 -7.253 1.00 0.00 O ATOM 414 OE2 GLU A 28 -1.764 2.887 -8.299 1.00 0.00 O ATOM 0 H GLU A 28 -5.138 3.118 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.354 3.131 -3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.792 2.392 -5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.612 4.059 -6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.185 3.889 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.213 2.355 -5.210 1.00 0.00 H new ATOM 421 N LYS A 29 -3.549 6.096 -4.143 1.00 0.00 N ATOM 422 CA LYS A 29 -3.187 7.549 -4.056 1.00 0.00 C ATOM 423 C LYS A 29 -2.696 7.887 -2.644 1.00 0.00 C ATOM 424 O LYS A 29 -1.773 8.660 -2.465 1.00 0.00 O ATOM 425 CB LYS A 29 -4.477 8.307 -4.374 1.00 0.00 C ATOM 426 CG LYS A 29 -4.839 8.099 -5.846 1.00 0.00 C ATOM 427 CD LYS A 29 -5.819 9.186 -6.291 1.00 0.00 C ATOM 428 CE LYS A 29 -6.242 8.931 -7.739 1.00 0.00 C ATOM 429 NZ LYS A 29 -6.470 10.284 -8.317 1.00 0.00 N ATOM 0 H LYS A 29 -4.509 5.905 -4.429 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.384 7.814 -4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.286 7.953 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.348 9.369 -4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.939 8.132 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.284 7.114 -5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.694 9.190 -5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.353 10.168 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.469 8.393 -8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.146 8.324 -7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.764 10.192 -9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.216 10.770 -7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.590 10.836 -8.266 1.00 0.00 H new ATOM 443 N VAL A 30 -3.303 7.300 -1.645 1.00 0.00 N ATOM 444 CA VAL A 30 -2.878 7.567 -0.238 1.00 0.00 C ATOM 445 C VAL A 30 -1.670 6.694 0.115 1.00 0.00 C ATOM 446 O VAL A 30 -0.683 7.172 0.643 1.00 0.00 O ATOM 447 CB VAL A 30 -4.094 7.190 0.618 1.00 0.00 C ATOM 448 CG1 VAL A 30 -3.757 7.337 2.106 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.263 8.114 0.271 1.00 0.00 C ATOM 0 H VAL A 30 -4.078 6.644 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.578 8.603 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.366 6.154 0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.627 7.067 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.925 6.679 2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.479 8.370 2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.129 7.849 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.982 9.148 0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.512 8.005 -0.784 1.00 0.00 H new ATOM 459 N PHE A 31 -1.745 5.418 -0.169 1.00 0.00 N ATOM 460 CA PHE A 31 -0.603 4.510 0.154 1.00 0.00 C ATOM 461 C PHE A 31 0.633 4.907 -0.655 1.00 0.00 C ATOM 462 O PHE A 31 1.751 4.781 -0.190 1.00 0.00 O ATOM 463 CB PHE A 31 -1.074 3.104 -0.228 1.00 0.00 C ATOM 464 CG PHE A 31 -1.816 2.480 0.935 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.232 2.447 2.209 1.00 0.00 C ATOM 466 CD2 PHE A 31 -3.087 1.929 0.736 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.919 1.865 3.280 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.774 1.349 1.808 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.190 1.316 3.080 1.00 0.00 C ATOM 0 H PHE A 31 -2.546 4.967 -0.610 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.324 4.564 1.206 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.723 3.153 -1.102 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.219 2.485 -0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.251 2.871 2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.538 1.952 -0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.468 1.840 4.261 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.756 0.926 1.654 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.721 0.867 3.907 1.00 0.00 H new ATOM 479 N LYS A 32 0.442 5.395 -1.856 1.00 0.00 N ATOM 480 CA LYS A 32 1.613 5.812 -2.685 1.00 0.00 C ATOM 481 C LYS A 32 2.312 6.991 -2.006 1.00 0.00 C ATOM 482 O LYS A 32 3.522 7.024 -1.885 1.00 0.00 O ATOM 483 CB LYS A 32 1.036 6.233 -4.039 1.00 0.00 C ATOM 484 CG LYS A 32 2.174 6.653 -4.974 1.00 0.00 C ATOM 485 CD LYS A 32 1.757 6.423 -6.430 1.00 0.00 C ATOM 486 CE LYS A 32 2.297 7.558 -7.304 1.00 0.00 C ATOM 487 NZ LYS A 32 2.611 6.919 -8.613 1.00 0.00 N ATOM 0 H LYS A 32 -0.470 5.522 -2.296 1.00 0.00 H new ATOM 0 HA LYS A 32 2.346 5.014 -2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.476 5.408 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.337 7.059 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.418 7.704 -4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.073 6.080 -4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.141 5.465 -6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.671 6.378 -6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.560 8.353 -7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.185 8.009 -6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.987 7.635 -9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.320 6.171 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.745 6.504 -9.013 1.00 0.00 H new ATOM 501 N GLN A 33 1.548 7.952 -1.546 1.00 0.00 N ATOM 502 CA GLN A 33 2.152 9.131 -0.851 1.00 0.00 C ATOM 503 C GLN A 33 2.886 8.669 0.409 1.00 0.00 C ATOM 504 O GLN A 33 3.838 9.283 0.851 1.00 0.00 O ATOM 505 CB GLN A 33 0.972 10.039 -0.492 1.00 0.00 C ATOM 506 CG GLN A 33 1.492 11.324 0.155 1.00 0.00 C ATOM 507 CD GLN A 33 2.250 12.149 -0.886 1.00 0.00 C ATOM 508 OE1 GLN A 33 1.675 12.990 -1.548 1.00 0.00 O ATOM 509 NE2 GLN A 33 3.527 11.943 -1.059 1.00 0.00 N ATOM 0 H GLN A 33 0.531 7.970 -1.622 1.00 0.00 H new ATOM 0 HA GLN A 33 2.880 9.652 -1.473 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.398 10.277 -1.387 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.298 9.523 0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.661 11.903 0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.148 11.083 0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.010 11.237 -0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.042 12.488 -1.750 1.00 0.00 H new ATOM 518 N TYR A 34 2.448 7.579 0.973 1.00 0.00 N ATOM 519 CA TYR A 34 3.106 7.034 2.198 1.00 0.00 C ATOM 520 C TYR A 34 4.444 6.386 1.803 1.00 0.00 C ATOM 521 O TYR A 34 5.482 6.701 2.355 1.00 0.00 O ATOM 522 CB TYR A 34 2.087 6.009 2.752 1.00 0.00 C ATOM 523 CG TYR A 34 2.753 4.977 3.639 1.00 0.00 C ATOM 524 CD1 TYR A 34 2.992 5.263 4.985 1.00 0.00 C ATOM 525 CD2 TYR A 34 3.125 3.737 3.106 1.00 0.00 C ATOM 526 CE1 TYR A 34 3.605 4.306 5.804 1.00 0.00 C ATOM 527 CE2 TYR A 34 3.737 2.781 3.922 1.00 0.00 C ATOM 528 CZ TYR A 34 3.978 3.065 5.273 1.00 0.00 C ATOM 529 OH TYR A 34 4.582 2.122 6.080 1.00 0.00 O ATOM 0 H TYR A 34 1.654 7.035 0.636 1.00 0.00 H new ATOM 0 HA TYR A 34 3.346 7.786 2.950 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.316 6.532 3.318 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.588 5.508 1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.705 6.220 5.394 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.939 3.519 2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.790 4.525 6.845 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.024 1.824 3.511 1.00 0.00 H new ATOM 0 HH TYR A 34 4.268 2.231 7.002 1.00 0.00 H new ATOM 539 N ALA A 35 4.419 5.488 0.851 1.00 0.00 N ATOM 540 CA ALA A 35 5.684 4.818 0.412 1.00 0.00 C ATOM 541 C ALA A 35 6.671 5.856 -0.130 1.00 0.00 C ATOM 542 O ALA A 35 7.860 5.780 0.115 1.00 0.00 O ATOM 543 CB ALA A 35 5.265 3.851 -0.696 1.00 0.00 C ATOM 0 H ALA A 35 3.578 5.189 0.358 1.00 0.00 H new ATOM 0 HA ALA A 35 6.180 4.302 1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.142 3.322 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.549 3.132 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.805 4.409 -1.511 1.00 0.00 H new ATOM 549 N ASN A 36 6.184 6.822 -0.869 1.00 0.00 N ATOM 550 CA ASN A 36 7.085 7.870 -1.438 1.00 0.00 C ATOM 551 C ASN A 36 7.852 8.588 -0.323 1.00 0.00 C ATOM 552 O ASN A 36 9.058 8.733 -0.383 1.00 0.00 O ATOM 553 CB ASN A 36 6.159 8.849 -2.165 1.00 0.00 C ATOM 554 CG ASN A 36 7.000 9.878 -2.923 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.097 11.018 -2.516 1.00 0.00 O ATOM 556 ND2 ASN A 36 7.616 9.521 -4.016 1.00 0.00 N ATOM 0 H ASN A 36 5.197 6.930 -1.103 1.00 0.00 H new ATOM 0 HA ASN A 36 7.831 7.441 -2.107 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.513 8.309 -2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.509 9.351 -1.449 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.179 10.199 -4.529 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.535 8.563 -4.358 1.00 0.00 H new ATOM 563 N ASP A 37 7.158 9.037 0.693 1.00 0.00 N ATOM 564 CA ASP A 37 7.842 9.749 1.818 1.00 0.00 C ATOM 565 C ASP A 37 8.861 8.823 2.488 1.00 0.00 C ATOM 566 O ASP A 37 10.030 9.144 2.590 1.00 0.00 O ATOM 567 CB ASP A 37 6.729 10.117 2.803 1.00 0.00 C ATOM 568 CG ASP A 37 6.304 11.569 2.579 1.00 0.00 C ATOM 569 OD1 ASP A 37 6.313 11.999 1.437 1.00 0.00 O ATOM 570 OD2 ASP A 37 5.978 12.228 3.553 1.00 0.00 O ATOM 0 H ASP A 37 6.147 8.942 0.793 1.00 0.00 H new ATOM 0 HA ASP A 37 8.385 10.629 1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.875 9.453 2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.077 9.983 3.827 1.00 0.00 H new ATOM 575 N ASN A 38 8.423 7.676 2.943 1.00 0.00 N ATOM 576 CA ASN A 38 9.363 6.720 3.609 1.00 0.00 C ATOM 577 C ASN A 38 10.463 6.298 2.632 1.00 0.00 C ATOM 578 O ASN A 38 11.635 6.313 2.961 1.00 0.00 O ATOM 579 CB ASN A 38 8.505 5.516 4.001 1.00 0.00 C ATOM 580 CG ASN A 38 7.481 5.942 5.055 1.00 0.00 C ATOM 581 OD1 ASN A 38 7.842 6.321 6.151 1.00 0.00 O ATOM 582 ND2 ASN A 38 6.209 5.896 4.767 1.00 0.00 N ATOM 0 H ASN A 38 7.455 7.359 2.883 1.00 0.00 H new ATOM 0 HA ASN A 38 9.855 7.164 4.474 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.996 5.118 3.124 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.136 4.718 4.393 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.518 6.178 5.462 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.906 5.578 3.847 1.00 0.00 H new ATOM 589 N GLY A 39 10.093 5.926 1.433 1.00 0.00 N ATOM 590 CA GLY A 39 11.111 5.505 0.427 1.00 0.00 C ATOM 591 C GLY A 39 10.863 4.052 0.018 1.00 0.00 C ATOM 592 O GLY A 39 11.680 3.184 0.263 1.00 0.00 O ATOM 0 H GLY A 39 9.127 5.896 1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.061 6.153 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.113 5.610 0.844 1.00 0.00 H new ATOM 596 N ILE A 40 9.744 3.783 -0.608 1.00 0.00 N ATOM 597 CA ILE A 40 9.443 2.385 -1.040 1.00 0.00 C ATOM 598 C ILE A 40 9.122 2.353 -2.538 1.00 0.00 C ATOM 599 O ILE A 40 7.974 2.274 -2.934 1.00 0.00 O ATOM 600 CB ILE A 40 8.233 1.953 -0.199 1.00 0.00 C ATOM 601 CG1 ILE A 40 8.648 1.920 1.278 1.00 0.00 C ATOM 602 CG2 ILE A 40 7.763 0.555 -0.632 1.00 0.00 C ATOM 603 CD1 ILE A 40 7.440 1.589 2.158 1.00 0.00 C ATOM 0 H ILE A 40 9.027 4.471 -0.838 1.00 0.00 H new ATOM 0 HA ILE A 40 10.288 1.713 -0.891 1.00 0.00 H new ATOM 0 HB ILE A 40 7.415 2.659 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.431 1.176 1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.065 2.884 1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.905 0.257 -0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.479 0.576 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.572 -0.161 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.746 1.568 3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.671 2.349 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.042 0.614 1.877 1.00 0.00 H new ATOM 615 N ASP A 41 10.134 2.394 -3.366 1.00 0.00 N ATOM 616 CA ASP A 41 9.908 2.344 -4.841 1.00 0.00 C ATOM 617 C ASP A 41 10.053 0.899 -5.322 1.00 0.00 C ATOM 618 O ASP A 41 10.683 0.624 -6.325 1.00 0.00 O ATOM 619 CB ASP A 41 11.002 3.226 -5.444 1.00 0.00 C ATOM 620 CG ASP A 41 10.430 4.015 -6.624 1.00 0.00 C ATOM 621 OD1 ASP A 41 9.441 4.702 -6.428 1.00 0.00 O ATOM 622 OD2 ASP A 41 10.991 3.918 -7.703 1.00 0.00 O ATOM 0 H ASP A 41 11.111 2.460 -3.082 1.00 0.00 H new ATOM 0 HA ASP A 41 8.915 2.689 -5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.389 3.910 -4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.838 2.611 -5.776 1.00 0.00 H new ATOM 627 N GLY A 42 9.480 -0.025 -4.595 1.00 0.00 N ATOM 628 CA GLY A 42 9.578 -1.461 -4.970 1.00 0.00 C ATOM 629 C GLY A 42 8.674 -1.756 -6.162 1.00 0.00 C ATOM 630 O GLY A 42 8.550 -0.963 -7.077 1.00 0.00 O ATOM 0 H GLY A 42 8.943 0.160 -3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.610 -1.711 -5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.292 -2.086 -4.124 1.00 0.00 H new ATOM 634 N GLU A 43 8.029 -2.890 -6.138 1.00 0.00 N ATOM 635 CA GLU A 43 7.108 -3.260 -7.239 1.00 0.00 C ATOM 636 C GLU A 43 5.702 -3.425 -6.668 1.00 0.00 C ATOM 637 O GLU A 43 5.436 -4.318 -5.884 1.00 0.00 O ATOM 638 CB GLU A 43 7.651 -4.570 -7.836 1.00 0.00 C ATOM 639 CG GLU A 43 7.600 -5.708 -6.806 1.00 0.00 C ATOM 640 CD GLU A 43 8.467 -6.870 -7.291 1.00 0.00 C ATOM 641 OE1 GLU A 43 7.942 -7.726 -7.984 1.00 0.00 O ATOM 642 OE2 GLU A 43 9.642 -6.885 -6.961 1.00 0.00 O ATOM 0 H GLU A 43 8.105 -3.581 -5.392 1.00 0.00 H new ATOM 0 HA GLU A 43 7.051 -2.500 -8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.066 -4.843 -8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.678 -4.423 -8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.955 -5.354 -5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.572 -6.041 -6.666 1.00 0.00 H new ATOM 649 N TRP A 44 4.817 -2.536 -7.020 1.00 0.00 N ATOM 650 CA TRP A 44 3.442 -2.594 -6.469 1.00 0.00 C ATOM 651 C TRP A 44 2.594 -3.671 -7.135 1.00 0.00 C ATOM 652 O TRP A 44 2.680 -3.921 -8.321 1.00 0.00 O ATOM 653 CB TRP A 44 2.854 -1.209 -6.712 1.00 0.00 C ATOM 654 CG TRP A 44 3.383 -0.296 -5.663 1.00 0.00 C ATOM 655 CD1 TRP A 44 4.663 0.131 -5.583 1.00 0.00 C ATOM 656 CD2 TRP A 44 2.681 0.286 -4.531 1.00 0.00 C ATOM 657 NE1 TRP A 44 4.791 0.943 -4.472 1.00 0.00 N ATOM 658 CE2 TRP A 44 3.596 1.067 -3.790 1.00 0.00 C ATOM 659 CE3 TRP A 44 1.351 0.213 -4.080 1.00 0.00 C ATOM 660 CZ2 TRP A 44 3.208 1.749 -2.641 1.00 0.00 C ATOM 661 CZ3 TRP A 44 0.956 0.903 -2.923 1.00 0.00 C ATOM 662 CH2 TRP A 44 1.883 1.667 -2.203 1.00 0.00 C ATOM 0 H TRP A 44 4.991 -1.769 -7.669 1.00 0.00 H new ATOM 0 HA TRP A 44 3.458 -2.857 -5.411 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.126 -0.848 -7.704 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.765 -1.245 -6.673 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.455 -0.121 -6.273 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.661 1.395 -4.190 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.630 -0.377 -4.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.926 2.338 -2.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.068 0.844 -2.586 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.575 2.192 -1.311 1.00 0.00 H new ATOM 673 N THR A 45 1.757 -4.289 -6.353 1.00 0.00 N ATOM 674 CA THR A 45 0.852 -5.346 -6.868 1.00 0.00 C ATOM 675 C THR A 45 -0.406 -5.356 -6.005 1.00 0.00 C ATOM 676 O THR A 45 -0.333 -5.316 -4.791 1.00 0.00 O ATOM 677 CB THR A 45 1.621 -6.657 -6.727 1.00 0.00 C ATOM 678 OG1 THR A 45 2.319 -6.667 -5.490 1.00 0.00 O ATOM 679 CG2 THR A 45 2.618 -6.794 -7.878 1.00 0.00 C ATOM 0 H THR A 45 1.662 -4.100 -5.355 1.00 0.00 H new ATOM 0 HA THR A 45 0.554 -5.188 -7.904 1.00 0.00 H new ATOM 0 HB THR A 45 0.921 -7.492 -6.755 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.812 -7.509 -5.399 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.166 -7.731 -7.775 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.081 -6.790 -8.827 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.319 -5.959 -7.854 1.00 0.00 H new ATOM 687 N TYR A 46 -1.553 -5.383 -6.619 1.00 0.00 N ATOM 688 CA TYR A 46 -2.823 -5.364 -5.838 1.00 0.00 C ATOM 689 C TYR A 46 -3.453 -6.764 -5.820 1.00 0.00 C ATOM 690 O TYR A 46 -3.885 -7.275 -6.836 1.00 0.00 O ATOM 691 CB TYR A 46 -3.697 -4.345 -6.591 1.00 0.00 C ATOM 692 CG TYR A 46 -5.143 -4.398 -6.138 1.00 0.00 C ATOM 693 CD1 TYR A 46 -5.526 -3.836 -4.912 1.00 0.00 C ATOM 694 CD2 TYR A 46 -6.104 -4.995 -6.962 1.00 0.00 C ATOM 695 CE1 TYR A 46 -6.865 -3.874 -4.513 1.00 0.00 C ATOM 696 CE2 TYR A 46 -7.444 -5.029 -6.565 1.00 0.00 C ATOM 697 CZ TYR A 46 -7.825 -4.470 -5.342 1.00 0.00 C ATOM 698 OH TYR A 46 -9.149 -4.502 -4.957 1.00 0.00 O ATOM 0 H TYR A 46 -1.669 -5.418 -7.632 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.691 -5.090 -4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.303 -3.341 -6.432 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.644 -4.542 -7.662 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.786 -3.374 -4.276 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.810 -5.430 -7.906 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.160 -3.445 -3.567 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.185 -5.487 -7.203 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.680 -4.951 -5.648 1.00 0.00 H new ATOM 708 N ASP A 47 -3.509 -7.377 -4.665 1.00 0.00 N ATOM 709 CA ASP A 47 -4.110 -8.738 -4.559 1.00 0.00 C ATOM 710 C ASP A 47 -5.616 -8.626 -4.305 1.00 0.00 C ATOM 711 O ASP A 47 -6.045 -8.116 -3.287 1.00 0.00 O ATOM 712 CB ASP A 47 -3.410 -9.386 -3.363 1.00 0.00 C ATOM 713 CG ASP A 47 -2.077 -9.985 -3.815 1.00 0.00 C ATOM 714 OD1 ASP A 47 -2.098 -10.836 -4.689 1.00 0.00 O ATOM 715 OD2 ASP A 47 -1.057 -9.582 -3.280 1.00 0.00 O ATOM 0 H ASP A 47 -3.162 -6.990 -3.787 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.982 -9.322 -5.470 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.242 -8.645 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.043 -10.163 -2.935 1.00 0.00 H new ATOM 720 N ASP A 48 -6.417 -9.099 -5.226 1.00 0.00 N ATOM 721 CA ASP A 48 -7.900 -9.024 -5.048 1.00 0.00 C ATOM 722 C ASP A 48 -8.373 -10.019 -3.978 1.00 0.00 C ATOM 723 O ASP A 48 -9.481 -9.924 -3.485 1.00 0.00 O ATOM 724 CB ASP A 48 -8.488 -9.387 -6.413 1.00 0.00 C ATOM 725 CG ASP A 48 -9.988 -9.091 -6.420 1.00 0.00 C ATOM 726 OD1 ASP A 48 -10.350 -7.959 -6.143 1.00 0.00 O ATOM 727 OD2 ASP A 48 -10.750 -10.001 -6.702 1.00 0.00 O ATOM 0 H ASP A 48 -6.108 -9.535 -6.095 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.216 -8.035 -4.716 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.991 -8.817 -7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.314 -10.442 -6.626 1.00 0.00 H new ATOM 732 N ALA A 49 -7.546 -10.976 -3.616 1.00 0.00 N ATOM 733 CA ALA A 49 -7.950 -11.978 -2.582 1.00 0.00 C ATOM 734 C ALA A 49 -8.418 -11.278 -1.300 1.00 0.00 C ATOM 735 O ALA A 49 -9.368 -11.699 -0.666 1.00 0.00 O ATOM 736 CB ALA A 49 -6.691 -12.803 -2.305 1.00 0.00 C ATOM 0 H ALA A 49 -6.608 -11.103 -3.995 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.779 -12.597 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.911 -13.561 -1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.364 -13.288 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.900 -12.148 -1.939 1.00 0.00 H new ATOM 742 N THR A 50 -7.755 -10.216 -0.917 1.00 0.00 N ATOM 743 CA THR A 50 -8.154 -9.484 0.324 1.00 0.00 C ATOM 744 C THR A 50 -7.851 -7.985 0.191 1.00 0.00 C ATOM 745 O THR A 50 -7.753 -7.278 1.176 1.00 0.00 O ATOM 746 CB THR A 50 -7.304 -10.101 1.437 1.00 0.00 C ATOM 747 OG1 THR A 50 -5.928 -9.930 1.127 1.00 0.00 O ATOM 748 CG2 THR A 50 -7.617 -11.593 1.562 1.00 0.00 C ATOM 0 H THR A 50 -6.953 -9.824 -1.411 1.00 0.00 H new ATOM 0 HA THR A 50 -9.222 -9.572 0.522 1.00 0.00 H new ATOM 0 HB THR A 50 -7.532 -9.607 2.381 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.381 -10.323 1.839 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.009 -12.027 2.356 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.672 -11.725 1.800 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.393 -12.092 0.619 1.00 0.00 H new ATOM 756 N LYS A 51 -7.701 -7.492 -1.019 1.00 0.00 N ATOM 757 CA LYS A 51 -7.402 -6.035 -1.224 1.00 0.00 C ATOM 758 C LYS A 51 -6.207 -5.598 -0.369 1.00 0.00 C ATOM 759 O LYS A 51 -6.368 -5.109 0.735 1.00 0.00 O ATOM 760 CB LYS A 51 -8.674 -5.292 -0.791 1.00 0.00 C ATOM 761 CG LYS A 51 -9.345 -4.660 -2.015 1.00 0.00 C ATOM 762 CD LYS A 51 -10.489 -5.560 -2.493 1.00 0.00 C ATOM 763 CE LYS A 51 -11.804 -5.092 -1.865 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.016 -5.997 -0.701 1.00 0.00 N ATOM 0 H LYS A 51 -7.773 -8.039 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.139 -5.821 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.362 -5.983 -0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.426 -4.521 -0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.727 -3.671 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.616 -4.526 -2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.561 -5.528 -3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.290 -6.596 -2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.743 -4.050 -1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.628 -5.162 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.019 -5.980 -0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.744 -6.967 -0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.433 -5.677 0.098 1.00 0.00 H new ATOM 778 N THR A 52 -5.013 -5.774 -0.872 1.00 0.00 N ATOM 779 CA THR A 52 -3.806 -5.374 -0.092 1.00 0.00 C ATOM 780 C THR A 52 -2.668 -4.972 -1.034 1.00 0.00 C ATOM 781 O THR A 52 -2.030 -5.812 -1.640 1.00 0.00 O ATOM 782 CB THR A 52 -3.427 -6.625 0.706 1.00 0.00 C ATOM 783 OG1 THR A 52 -4.526 -7.017 1.516 1.00 0.00 O ATOM 784 CG2 THR A 52 -2.217 -6.327 1.595 1.00 0.00 C ATOM 0 H THR A 52 -4.822 -6.177 -1.789 1.00 0.00 H new ATOM 0 HA THR A 52 -3.996 -4.515 0.552 1.00 0.00 H new ATOM 0 HB THR A 52 -3.174 -7.430 0.016 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.817 -7.917 1.259 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.952 -7.220 2.160 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.373 -6.028 0.973 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.463 -5.520 2.286 1.00 0.00 H new ATOM 792 N PHE A 53 -2.398 -3.693 -1.145 1.00 0.00 N ATOM 793 CA PHE A 53 -1.282 -3.233 -2.033 1.00 0.00 C ATOM 794 C PHE A 53 0.029 -3.852 -1.545 1.00 0.00 C ATOM 795 O PHE A 53 0.357 -3.769 -0.377 1.00 0.00 O ATOM 796 CB PHE A 53 -1.247 -1.711 -1.884 1.00 0.00 C ATOM 797 CG PHE A 53 -2.477 -1.108 -2.522 1.00 0.00 C ATOM 798 CD1 PHE A 53 -2.455 -0.743 -3.873 1.00 0.00 C ATOM 799 CD2 PHE A 53 -3.637 -0.910 -1.762 1.00 0.00 C ATOM 800 CE1 PHE A 53 -3.592 -0.179 -4.464 1.00 0.00 C ATOM 801 CE2 PHE A 53 -4.774 -0.347 -2.352 1.00 0.00 C ATOM 802 CZ PHE A 53 -4.751 0.019 -3.704 1.00 0.00 C ATOM 0 H PHE A 53 -2.900 -2.949 -0.661 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.421 -3.525 -3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.203 -1.440 -0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.349 -1.311 -2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.561 -0.896 -4.459 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.654 -1.192 -0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.575 0.103 -5.506 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.668 -0.195 -1.766 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.628 0.454 -4.160 1.00 0.00 H new ATOM 812 N THR A 54 0.760 -4.506 -2.411 1.00 0.00 N ATOM 813 CA THR A 54 2.025 -5.162 -1.952 1.00 0.00 C ATOM 814 C THR A 54 3.274 -4.630 -2.675 1.00 0.00 C ATOM 815 O THR A 54 3.590 -5.058 -3.769 1.00 0.00 O ATOM 816 CB THR A 54 1.817 -6.645 -2.271 1.00 0.00 C ATOM 817 OG1 THR A 54 0.616 -7.093 -1.658 1.00 0.00 O ATOM 818 CG2 THR A 54 2.996 -7.464 -1.743 1.00 0.00 C ATOM 0 H THR A 54 0.542 -4.615 -3.402 1.00 0.00 H new ATOM 0 HA THR A 54 2.206 -4.964 -0.896 1.00 0.00 H new ATOM 0 HB THR A 54 1.750 -6.774 -3.351 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.479 -8.042 -1.862 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.840 -8.518 -1.974 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.917 -7.122 -2.215 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.073 -7.337 -0.663 1.00 0.00 H new ATOM 826 N VAL A 55 4.013 -3.738 -2.046 1.00 0.00 N ATOM 827 CA VAL A 55 5.266 -3.231 -2.671 1.00 0.00 C ATOM 828 C VAL A 55 6.467 -3.951 -2.040 1.00 0.00 C ATOM 829 O VAL A 55 6.342 -4.614 -1.024 1.00 0.00 O ATOM 830 CB VAL A 55 5.330 -1.710 -2.418 1.00 0.00 C ATOM 831 CG1 VAL A 55 5.525 -1.405 -0.934 1.00 0.00 C ATOM 832 CG2 VAL A 55 6.511 -1.124 -3.194 1.00 0.00 C ATOM 0 H VAL A 55 3.796 -3.345 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 55 5.285 -3.421 -3.744 1.00 0.00 H new ATOM 0 HB VAL A 55 4.389 -1.268 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.566 -0.326 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.692 -1.817 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.457 -1.854 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.563 -0.049 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.436 -1.591 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.377 -1.313 -4.259 1.00 0.00 H new ATOM 842 N THR A 56 7.619 -3.830 -2.637 1.00 0.00 N ATOM 843 CA THR A 56 8.828 -4.511 -2.095 1.00 0.00 C ATOM 844 C THR A 56 10.098 -3.828 -2.610 1.00 0.00 C ATOM 845 O THR A 56 10.427 -3.920 -3.779 1.00 0.00 O ATOM 846 CB THR A 56 8.724 -5.933 -2.644 1.00 0.00 C ATOM 847 OG1 THR A 56 7.511 -6.523 -2.198 1.00 0.00 O ATOM 848 CG2 THR A 56 9.911 -6.771 -2.162 1.00 0.00 C ATOM 0 H THR A 56 7.776 -3.284 -3.484 1.00 0.00 H new ATOM 0 HA THR A 56 8.880 -4.483 -1.007 1.00 0.00 H new ATOM 0 HB THR A 56 8.735 -5.898 -3.733 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.166 -6.021 -1.431 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.827 -7.783 -2.559 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.840 -6.320 -2.511 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.912 -6.808 -1.073 1.00 0.00 H new ATOM 856 N GLU A 57 10.809 -3.146 -1.749 1.00 0.00 N ATOM 857 CA GLU A 57 12.061 -2.456 -2.184 1.00 0.00 C ATOM 858 C GLU A 57 13.253 -2.949 -1.359 1.00 0.00 C ATOM 859 O GLU A 57 13.346 -2.569 -0.203 1.00 0.00 O ATOM 860 CB GLU A 57 11.808 -0.971 -1.923 1.00 0.00 C ATOM 861 CG GLU A 57 12.895 -0.140 -2.608 1.00 0.00 C ATOM 862 CD GLU A 57 14.051 0.091 -1.634 1.00 0.00 C ATOM 863 OE1 GLU A 57 13.782 0.460 -0.503 1.00 0.00 O ATOM 864 OE2 GLU A 57 15.187 -0.104 -2.036 1.00 0.00 O ATOM 865 OXT GLU A 57 14.051 -3.699 -1.897 1.00 0.00 O ATOM 0 H GLU A 57 10.576 -3.037 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 57 12.296 -2.652 -3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.826 -0.687 -2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.806 -0.774 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.254 -0.655 -3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.485 0.815 -2.935 1.00 0.00 H new TER 872 GLU A 57