USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 502 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 34 SER OG : rot -115:sc= 1.08 USER MOD Set 1.2: A 39 THR OG1 : rot 74:sc= -1.63! USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0.772 K(o=2,f=-8.5!) USER MOD Set 2.2: A 62 TYR OH : rot -110:sc= 1.25 USER MOD Set 3.1: A 7 THR OG1 : rot 56:sc= 1.41 USER MOD Set 3.2: A 65 THR OG1 : rot 76:sc= 0.45 USER MOD Single : A 1 MET CE :methyl -142:sc= -0.274 (180deg=-3.07!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0543 USER MOD Single : A 3 HIS : no HE2:sc= 0.861 K(o=0.86,f=-6.8!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 98:sc= 1.01 USER MOD Single : A 19 LYS NZ :NH3+ 132:sc= 2.32 (180deg=0.882) USER MOD Single : A 24 LYS NZ :NH3+ -136:sc= 1.85 (180deg=0.234) USER MOD Single : A 29 GLN : amide:sc= -1.58! K(o=-1.6!,f=-0.98) USER MOD Single : A 30 SER OG : rot 180:sc= -0.435 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0474 K(o=-0.047,f=-3.1!) USER MOD Single : A 48 THR OG1 : rot 140:sc= -0.277 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0659 USER MOD Single : A 54 THR OG1 : rot 78:sc= 1.05 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.110 -1.750 -2.240 1.00 0.00 N ATOM 2 CA MET A 1 0.739 -2.288 -2.101 1.00 0.00 C ATOM 3 C MET A 1 -0.270 -1.179 -2.340 1.00 0.00 C ATOM 4 O MET A 1 -0.687 -0.501 -1.405 1.00 0.00 O ATOM 5 CB MET A 1 0.537 -2.898 -0.710 1.00 0.00 C ATOM 6 CG MET A 1 -0.770 -3.659 -0.560 1.00 0.00 C ATOM 7 SD MET A 1 -1.186 -3.990 1.163 1.00 0.00 S ATOM 8 CE MET A 1 -2.409 -5.286 0.968 1.00 0.00 C ATOM 0 H1 MET A 1 2.800 -2.511 -2.076 1.00 0.00 H new ATOM 0 H2 MET A 1 2.237 -1.368 -3.199 1.00 0.00 H new ATOM 0 H3 MET A 1 2.258 -0.992 -1.543 1.00 0.00 H new ATOM 0 HA MET A 1 0.592 -3.074 -2.842 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.366 -3.572 -0.495 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.571 -2.102 0.034 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.575 -3.086 -1.021 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.701 -4.603 -1.101 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.200 -5.153 1.706 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.835 -5.236 -0.034 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.936 -6.257 1.114 1.00 0.00 H new ATOM 20 N THR A 2 -0.646 -1.005 -3.597 1.00 0.00 N ATOM 21 CA THR A 2 -1.507 0.094 -4.005 1.00 0.00 C ATOM 22 C THR A 2 -2.868 0.041 -3.316 1.00 0.00 C ATOM 23 O THR A 2 -3.561 -0.974 -3.352 1.00 0.00 O ATOM 24 CB THR A 2 -1.705 0.080 -5.531 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.527 -0.443 -6.165 1.00 0.00 O ATOM 26 CG2 THR A 2 -1.995 1.479 -6.059 1.00 0.00 C ATOM 0 H THR A 2 -0.364 -1.619 -4.361 1.00 0.00 H new ATOM 0 HA THR A 2 -1.012 1.018 -3.705 1.00 0.00 H new ATOM 0 HB THR A 2 -2.560 -0.555 -5.761 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.655 -0.453 -7.137 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.130 1.439 -7.140 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.903 1.863 -5.593 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.159 2.138 -5.822 1.00 0.00 H new ATOM 34 N HIS A 3 -3.234 1.136 -2.670 1.00 0.00 N ATOM 35 CA HIS A 3 -4.547 1.260 -2.064 1.00 0.00 C ATOM 36 C HIS A 3 -5.501 1.904 -3.056 1.00 0.00 C ATOM 37 O HIS A 3 -5.253 3.002 -3.554 1.00 0.00 O ATOM 38 CB HIS A 3 -4.509 2.101 -0.789 1.00 0.00 C ATOM 39 CG HIS A 3 -3.530 1.638 0.250 1.00 0.00 C ATOM 40 ND1 HIS A 3 -2.166 1.613 0.054 1.00 0.00 N ATOM 41 CD2 HIS A 3 -3.728 1.193 1.514 1.00 0.00 C ATOM 42 CE1 HIS A 3 -1.572 1.170 1.143 1.00 0.00 C ATOM 43 NE2 HIS A 3 -2.497 0.908 2.046 1.00 0.00 N ATOM 0 H HIS A 3 -2.637 1.954 -2.552 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.887 0.259 -1.798 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.270 3.130 -1.058 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.506 2.110 -0.348 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -1.690 1.894 -0.803 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.680 1.083 2.011 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.508 1.043 1.274 1.00 0.00 H new ATOM 52 N LEU A 4 -6.587 1.224 -3.320 1.00 0.00 N ATOM 53 CA LEU A 4 -7.555 1.666 -4.306 1.00 0.00 C ATOM 54 C LEU A 4 -8.770 2.272 -3.625 1.00 0.00 C ATOM 55 O LEU A 4 -9.089 1.936 -2.484 1.00 0.00 O ATOM 56 CB LEU A 4 -7.981 0.489 -5.191 1.00 0.00 C ATOM 57 CG LEU A 4 -8.196 0.817 -6.671 1.00 0.00 C ATOM 58 CD1 LEU A 4 -7.071 0.239 -7.517 1.00 0.00 C ATOM 59 CD2 LEU A 4 -9.540 0.281 -7.137 1.00 0.00 C ATOM 0 H LEU A 4 -6.831 0.347 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.090 2.429 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.223 -0.291 -5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.906 0.074 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.191 1.900 -6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.242 0.483 -8.566 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.120 0.663 -7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.044 -0.844 -7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.682 0.520 -8.191 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.566 -0.801 -7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.337 0.738 -6.551 1.00 0.00 H new ATOM 71 N LYS A 5 -9.436 3.172 -4.323 1.00 0.00 N ATOM 72 CA LYS A 5 -10.633 3.806 -3.807 1.00 0.00 C ATOM 73 C LYS A 5 -11.839 3.416 -4.647 1.00 0.00 C ATOM 74 O LYS A 5 -11.838 3.572 -5.870 1.00 0.00 O ATOM 75 CB LYS A 5 -10.478 5.325 -3.807 1.00 0.00 C ATOM 76 CG LYS A 5 -9.821 5.884 -2.554 1.00 0.00 C ATOM 77 CD LYS A 5 -10.532 5.414 -1.296 1.00 0.00 C ATOM 78 CE LYS A 5 -11.611 6.395 -0.868 1.00 0.00 C ATOM 79 NZ LYS A 5 -11.085 7.439 0.047 1.00 0.00 N ATOM 0 H LYS A 5 -9.165 3.482 -5.256 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.784 3.467 -2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.888 5.619 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.462 5.780 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.777 5.574 -2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.829 6.973 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.978 4.435 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.808 5.294 -0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.040 6.870 -1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.418 5.853 -0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.854 8.086 0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.699 6.989 0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.333 7.974 -0.432 1.00 0.00 H new ATOM 93 N ILE A 6 -12.860 2.909 -3.984 1.00 0.00 N ATOM 94 CA ILE A 6 -14.082 2.494 -4.651 1.00 0.00 C ATOM 95 C ILE A 6 -15.019 3.684 -4.803 1.00 0.00 C ATOM 96 O ILE A 6 -15.316 4.378 -3.827 1.00 0.00 O ATOM 97 CB ILE A 6 -14.801 1.369 -3.869 1.00 0.00 C ATOM 98 CG1 ILE A 6 -13.824 0.239 -3.520 1.00 0.00 C ATOM 99 CG2 ILE A 6 -15.978 0.829 -4.670 1.00 0.00 C ATOM 100 CD1 ILE A 6 -13.024 -0.268 -4.699 1.00 0.00 C ATOM 0 H ILE A 6 -12.868 2.773 -2.973 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.810 2.107 -5.633 1.00 0.00 H new ATOM 0 HB ILE A 6 -15.181 1.791 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -13.136 0.592 -2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.384 -0.591 -3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.471 0.039 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.687 1.634 -4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -15.619 0.427 -5.618 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.357 -1.065 -4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -13.702 -0.653 -5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.435 0.548 -5.117 1.00 0.00 H new ATOM 112 N THR A 7 -15.468 3.930 -6.024 1.00 0.00 N ATOM 113 CA THR A 7 -16.339 5.057 -6.294 1.00 0.00 C ATOM 114 C THR A 7 -17.547 4.619 -7.110 1.00 0.00 C ATOM 115 O THR A 7 -17.464 3.680 -7.908 1.00 0.00 O ATOM 116 CB THR A 7 -15.580 6.181 -7.024 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.252 5.744 -7.355 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.497 7.425 -6.157 1.00 0.00 C ATOM 0 H THR A 7 -15.242 3.363 -6.841 1.00 0.00 H new ATOM 0 HA THR A 7 -16.687 5.446 -5.337 1.00 0.00 H new ATOM 0 HB THR A 7 -16.125 6.422 -7.937 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.301 4.922 -7.886 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.957 8.206 -6.692 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.503 7.774 -5.924 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.971 7.189 -5.232 1.00 0.00 H new ATOM 126 N GLY A 8 -18.670 5.287 -6.899 1.00 0.00 N ATOM 127 CA GLY A 8 -19.901 4.886 -7.541 1.00 0.00 C ATOM 128 C GLY A 8 -20.720 3.997 -6.636 1.00 0.00 C ATOM 129 O GLY A 8 -21.847 4.330 -6.272 1.00 0.00 O ATOM 0 H GLY A 8 -18.750 6.103 -6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.480 5.770 -7.809 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.677 4.359 -8.468 1.00 0.00 H new ATOM 133 N MET A 9 -20.150 2.857 -6.270 1.00 0.00 N ATOM 134 CA MET A 9 -20.795 1.955 -5.324 1.00 0.00 C ATOM 135 C MET A 9 -20.421 2.342 -3.902 1.00 0.00 C ATOM 136 O MET A 9 -19.311 2.815 -3.654 1.00 0.00 O ATOM 137 CB MET A 9 -20.413 0.498 -5.596 1.00 0.00 C ATOM 138 CG MET A 9 -20.711 0.048 -7.021 1.00 0.00 C ATOM 139 SD MET A 9 -20.446 -1.718 -7.274 1.00 0.00 S ATOM 140 CE MET A 9 -22.116 -2.257 -7.649 1.00 0.00 C ATOM 0 H MET A 9 -19.245 2.535 -6.612 1.00 0.00 H new ATOM 0 HA MET A 9 -21.874 2.045 -5.449 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.350 0.366 -5.397 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.950 -0.146 -4.900 1.00 0.00 H new ATOM 0 HG2 MET A 9 -21.745 0.293 -7.264 1.00 0.00 H new ATOM 0 HG3 MET A 9 -20.080 0.607 -7.712 1.00 0.00 H new ATOM 0 HE1 MET A 9 -22.119 -3.332 -7.831 1.00 0.00 H new ATOM 0 HE2 MET A 9 -22.769 -2.030 -6.807 1.00 0.00 H new ATOM 0 HE3 MET A 9 -22.475 -1.738 -8.537 1.00 0.00 H new ATOM 150 N THR A 10 -21.341 2.148 -2.975 1.00 0.00 N ATOM 151 CA THR A 10 -21.114 2.525 -1.590 1.00 0.00 C ATOM 152 C THR A 10 -20.311 1.464 -0.838 1.00 0.00 C ATOM 153 O THR A 10 -19.180 1.720 -0.420 1.00 0.00 O ATOM 154 CB THR A 10 -22.446 2.777 -0.863 1.00 0.00 C ATOM 155 OG1 THR A 10 -23.425 3.245 -1.801 1.00 0.00 O ATOM 156 CG2 THR A 10 -22.271 3.802 0.248 1.00 0.00 C ATOM 0 H THR A 10 -22.254 1.731 -3.155 1.00 0.00 H new ATOM 0 HA THR A 10 -20.534 3.448 -1.604 1.00 0.00 H new ATOM 0 HB THR A 10 -22.781 1.840 -0.418 1.00 0.00 H new ATOM 0 HG1 THR A 10 -24.273 3.403 -1.337 1.00 0.00 H new ATOM 0 HG21 THR A 10 -23.226 3.964 0.748 1.00 0.00 H new ATOM 0 HG22 THR A 10 -21.541 3.435 0.970 1.00 0.00 H new ATOM 0 HG23 THR A 10 -21.920 4.742 -0.177 1.00 0.00 H new ATOM 164 N CYS A 11 -20.879 0.267 -0.694 1.00 0.00 N ATOM 165 CA CYS A 11 -20.258 -0.776 0.113 1.00 0.00 C ATOM 166 C CYS A 11 -21.080 -2.059 0.096 1.00 0.00 C ATOM 167 O CYS A 11 -22.256 -2.032 -0.256 1.00 0.00 O ATOM 168 CB CYS A 11 -20.101 -0.302 1.555 1.00 0.00 C ATOM 169 SG CYS A 11 -21.610 0.337 2.315 1.00 0.00 S ATOM 0 H CYS A 11 -21.764 -0.001 -1.124 1.00 0.00 H new ATOM 0 HA CYS A 11 -19.279 -0.985 -0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -19.732 -1.133 2.157 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -19.339 0.477 1.585 1.00 0.00 H new ATOM 0 HG CYS A 11 -21.358 0.707 3.536 1.00 0.00 H new ATOM 175 N ASP A 12 -20.429 -3.172 0.469 1.00 0.00 N ATOM 176 CA ASP A 12 -21.076 -4.484 0.648 1.00 0.00 C ATOM 177 C ASP A 12 -21.709 -5.012 -0.638 1.00 0.00 C ATOM 178 O ASP A 12 -22.603 -4.389 -1.209 1.00 0.00 O ATOM 179 CB ASP A 12 -22.119 -4.425 1.767 1.00 0.00 C ATOM 180 CG ASP A 12 -22.771 -5.769 2.021 1.00 0.00 C ATOM 181 OD1 ASP A 12 -22.068 -6.796 1.926 1.00 0.00 O ATOM 182 OD2 ASP A 12 -23.981 -5.808 2.319 1.00 0.00 O ATOM 0 H ASP A 12 -19.427 -3.188 0.657 1.00 0.00 H new ATOM 0 HA ASP A 12 -20.288 -5.184 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.645 -4.075 2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.886 -3.696 1.507 1.00 0.00 H new ATOM 187 N SER A 13 -21.225 -6.176 -1.086 1.00 0.00 N ATOM 188 CA SER A 13 -21.626 -6.779 -2.365 1.00 0.00 C ATOM 189 C SER A 13 -21.050 -5.970 -3.524 1.00 0.00 C ATOM 190 O SER A 13 -20.484 -6.521 -4.469 1.00 0.00 O ATOM 191 CB SER A 13 -23.150 -6.899 -2.483 1.00 0.00 C ATOM 192 OG SER A 13 -23.703 -7.523 -1.334 1.00 0.00 O ATOM 0 H SER A 13 -20.541 -6.730 -0.570 1.00 0.00 H new ATOM 0 HA SER A 13 -21.223 -7.791 -2.405 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.587 -5.909 -2.609 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.405 -7.476 -3.372 1.00 0.00 H new ATOM 0 HG SER A 13 -24.676 -7.586 -1.433 1.00 0.00 H new ATOM 198 N CYS A 14 -21.181 -4.657 -3.428 1.00 0.00 N ATOM 199 CA CYS A 14 -20.515 -3.746 -4.329 1.00 0.00 C ATOM 200 C CYS A 14 -19.011 -3.907 -4.191 1.00 0.00 C ATOM 201 O CYS A 14 -18.286 -4.010 -5.178 1.00 0.00 O ATOM 202 CB CYS A 14 -20.923 -2.314 -3.998 1.00 0.00 C ATOM 203 SG CYS A 14 -22.621 -2.149 -3.391 1.00 0.00 S ATOM 0 H CYS A 14 -21.754 -4.197 -2.720 1.00 0.00 H new ATOM 0 HA CYS A 14 -20.803 -3.969 -5.356 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.240 -1.918 -3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.806 -1.699 -4.890 1.00 0.00 H new ATOM 0 HG CYS A 14 -22.614 -2.091 -2.092 1.00 0.00 H new ATOM 209 N ALA A 15 -18.563 -3.961 -2.946 1.00 0.00 N ATOM 210 CA ALA A 15 -17.153 -4.169 -2.649 1.00 0.00 C ATOM 211 C ALA A 15 -16.714 -5.561 -3.092 1.00 0.00 C ATOM 212 O ALA A 15 -15.568 -5.769 -3.482 1.00 0.00 O ATOM 213 CB ALA A 15 -16.892 -3.974 -1.163 1.00 0.00 C ATOM 0 H ALA A 15 -19.157 -3.863 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.569 -3.433 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.834 -4.133 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.170 -2.960 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.485 -4.689 -0.593 1.00 0.00 H new ATOM 219 N ALA A 16 -17.654 -6.498 -3.061 1.00 0.00 N ATOM 220 CA ALA A 16 -17.372 -7.873 -3.442 1.00 0.00 C ATOM 221 C ALA A 16 -17.226 -7.987 -4.950 1.00 0.00 C ATOM 222 O ALA A 16 -16.388 -8.736 -5.449 1.00 0.00 O ATOM 223 CB ALA A 16 -18.468 -8.799 -2.940 1.00 0.00 C ATOM 0 H ALA A 16 -18.618 -6.329 -2.775 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.431 -8.173 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.241 -9.824 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.527 -8.738 -1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.423 -8.500 -3.372 1.00 0.00 H new ATOM 229 N HIS A 17 -18.039 -7.223 -5.667 1.00 0.00 N ATOM 230 CA HIS A 17 -17.969 -7.175 -7.118 1.00 0.00 C ATOM 231 C HIS A 17 -16.606 -6.662 -7.554 1.00 0.00 C ATOM 232 O HIS A 17 -15.944 -7.262 -8.404 1.00 0.00 O ATOM 233 CB HIS A 17 -19.071 -6.269 -7.672 1.00 0.00 C ATOM 234 CG HIS A 17 -20.179 -7.012 -8.351 1.00 0.00 C ATOM 235 ND1 HIS A 17 -20.846 -6.524 -9.452 1.00 0.00 N ATOM 236 CD2 HIS A 17 -20.739 -8.214 -8.078 1.00 0.00 C ATOM 237 CE1 HIS A 17 -21.769 -7.390 -9.824 1.00 0.00 C ATOM 238 NE2 HIS A 17 -21.723 -8.424 -9.008 1.00 0.00 N ATOM 0 H HIS A 17 -18.759 -6.625 -5.262 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.113 -8.182 -7.510 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.488 -5.679 -6.856 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.630 -5.567 -8.379 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -20.462 -8.883 -7.277 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -22.447 -7.272 -10.656 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -22.323 -9.247 -9.060 1.00 0.00 H new ATOM 247 N VAL A 18 -16.184 -5.558 -6.943 1.00 0.00 N ATOM 248 CA VAL A 18 -14.880 -4.977 -7.227 1.00 0.00 C ATOM 249 C VAL A 18 -13.771 -5.945 -6.833 1.00 0.00 C ATOM 250 O VAL A 18 -12.813 -6.138 -7.577 1.00 0.00 O ATOM 251 CB VAL A 18 -14.677 -3.635 -6.488 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.305 -3.047 -6.796 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.775 -2.650 -6.859 1.00 0.00 C ATOM 0 H VAL A 18 -16.729 -5.049 -6.247 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.838 -4.786 -8.299 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.731 -3.826 -5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.186 -2.103 -6.264 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.530 -3.744 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.216 -2.873 -7.868 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.616 -1.711 -6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.753 -2.469 -7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.744 -3.064 -6.581 1.00 0.00 H new ATOM 263 N LYS A 19 -13.917 -6.558 -5.660 1.00 0.00 N ATOM 264 CA LYS A 19 -12.950 -7.539 -5.180 1.00 0.00 C ATOM 265 C LYS A 19 -12.803 -8.682 -6.175 1.00 0.00 C ATOM 266 O LYS A 19 -11.690 -9.093 -6.503 1.00 0.00 O ATOM 267 CB LYS A 19 -13.377 -8.089 -3.817 1.00 0.00 C ATOM 268 CG LYS A 19 -12.318 -8.946 -3.143 1.00 0.00 C ATOM 269 CD LYS A 19 -12.621 -9.140 -1.668 1.00 0.00 C ATOM 270 CE LYS A 19 -12.370 -10.575 -1.234 1.00 0.00 C ATOM 271 NZ LYS A 19 -10.922 -10.894 -1.185 1.00 0.00 N ATOM 0 H LYS A 19 -14.697 -6.391 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.986 -7.040 -5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.628 -7.255 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.284 -8.680 -3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.265 -9.917 -3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.341 -8.477 -3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.002 -8.466 -1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.660 -8.875 -1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.811 -10.739 -0.251 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.868 -11.255 -1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.701 -11.365 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.679 -11.525 -1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.370 -10.016 -1.261 1.00 0.00 H new ATOM 285 N GLU A 20 -13.931 -9.184 -6.659 1.00 0.00 N ATOM 286 CA GLU A 20 -13.933 -10.262 -7.635 1.00 0.00 C ATOM 287 C GLU A 20 -13.281 -9.809 -8.930 1.00 0.00 C ATOM 288 O GLU A 20 -12.527 -10.561 -9.552 1.00 0.00 O ATOM 289 CB GLU A 20 -15.363 -10.738 -7.904 1.00 0.00 C ATOM 290 CG GLU A 20 -15.718 -12.032 -7.192 1.00 0.00 C ATOM 291 CD GLU A 20 -15.327 -13.256 -7.990 1.00 0.00 C ATOM 292 OE1 GLU A 20 -14.177 -13.717 -7.854 1.00 0.00 O ATOM 293 OE2 GLU A 20 -16.163 -13.762 -8.764 1.00 0.00 O ATOM 0 H GLU A 20 -14.860 -8.859 -6.389 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.358 -11.094 -7.227 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.060 -9.960 -7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.495 -10.876 -8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.219 -12.059 -6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.791 -12.055 -6.999 1.00 0.00 H new ATOM 300 N ALA A 21 -13.560 -8.575 -9.318 1.00 0.00 N ATOM 301 CA ALA A 21 -12.964 -7.995 -10.510 1.00 0.00 C ATOM 302 C ALA A 21 -11.447 -7.948 -10.376 1.00 0.00 C ATOM 303 O ALA A 21 -10.716 -8.248 -11.319 1.00 0.00 O ATOM 304 CB ALA A 21 -13.518 -6.599 -10.756 1.00 0.00 C ATOM 0 H ALA A 21 -14.199 -7.953 -8.822 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.217 -8.623 -11.364 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.061 -6.179 -11.652 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.598 -6.655 -10.891 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.292 -5.962 -9.901 1.00 0.00 H new ATOM 310 N LEU A 22 -10.987 -7.587 -9.186 1.00 0.00 N ATOM 311 CA LEU A 22 -9.563 -7.513 -8.899 1.00 0.00 C ATOM 312 C LEU A 22 -8.949 -8.902 -8.922 1.00 0.00 C ATOM 313 O LEU A 22 -7.889 -9.119 -9.506 1.00 0.00 O ATOM 314 CB LEU A 22 -9.328 -6.855 -7.538 1.00 0.00 C ATOM 315 CG LEU A 22 -9.804 -5.407 -7.430 1.00 0.00 C ATOM 316 CD1 LEU A 22 -10.065 -5.044 -5.977 1.00 0.00 C ATOM 317 CD2 LEU A 22 -8.780 -4.468 -8.043 1.00 0.00 C ATOM 0 H LEU A 22 -11.586 -7.339 -8.398 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.085 -6.905 -9.668 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.833 -7.446 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.262 -6.889 -7.314 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.738 -5.303 -7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.403 -4.010 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.833 -5.702 -5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.146 -5.160 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.133 -3.440 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.831 -4.570 -7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.640 -4.719 -9.095 1.00 0.00 H new ATOM 329 N GLU A 23 -9.640 -9.841 -8.294 1.00 0.00 N ATOM 330 CA GLU A 23 -9.168 -11.214 -8.202 1.00 0.00 C ATOM 331 C GLU A 23 -9.352 -11.951 -9.527 1.00 0.00 C ATOM 332 O GLU A 23 -8.860 -13.067 -9.700 1.00 0.00 O ATOM 333 CB GLU A 23 -9.897 -11.949 -7.085 1.00 0.00 C ATOM 334 CG GLU A 23 -9.453 -11.536 -5.693 1.00 0.00 C ATOM 335 CD GLU A 23 -10.146 -12.323 -4.600 1.00 0.00 C ATOM 336 OE1 GLU A 23 -10.791 -13.347 -4.913 1.00 0.00 O ATOM 337 OE2 GLU A 23 -10.043 -11.926 -3.422 1.00 0.00 O ATOM 0 H GLU A 23 -10.537 -9.675 -7.837 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.102 -11.189 -7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.968 -11.771 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.740 -13.021 -7.204 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.375 -11.672 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.653 -10.474 -5.553 1.00 0.00 H new ATOM 344 N LYS A 24 -10.068 -11.327 -10.455 1.00 0.00 N ATOM 345 CA LYS A 24 -10.212 -11.874 -11.798 1.00 0.00 C ATOM 346 C LYS A 24 -8.908 -11.691 -12.558 1.00 0.00 C ATOM 347 O LYS A 24 -8.607 -12.424 -13.498 1.00 0.00 O ATOM 348 CB LYS A 24 -11.359 -11.172 -12.534 1.00 0.00 C ATOM 349 CG LYS A 24 -12.269 -12.109 -13.316 1.00 0.00 C ATOM 350 CD LYS A 24 -12.550 -13.402 -12.563 1.00 0.00 C ATOM 351 CE LYS A 24 -13.470 -13.178 -11.374 1.00 0.00 C ATOM 352 NZ LYS A 24 -12.757 -13.370 -10.082 1.00 0.00 N ATOM 0 H LYS A 24 -10.556 -10.445 -10.303 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.444 -12.937 -11.733 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.959 -10.624 -11.808 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.939 -10.437 -13.220 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.211 -11.603 -13.529 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.808 -12.343 -14.276 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.003 -14.126 -13.241 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.610 -13.833 -12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.880 -12.169 -11.417 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.312 -13.868 -11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.353 -13.927 -9.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.863 -13.874 -10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.556 -12.443 -9.655 1.00 0.00 H new ATOM 366 N VAL A 25 -8.137 -10.705 -12.121 1.00 0.00 N ATOM 367 CA VAL A 25 -6.820 -10.457 -12.668 1.00 0.00 C ATOM 368 C VAL A 25 -5.813 -11.421 -12.041 1.00 0.00 C ATOM 369 O VAL A 25 -5.681 -11.481 -10.817 1.00 0.00 O ATOM 370 CB VAL A 25 -6.393 -8.995 -12.416 1.00 0.00 C ATOM 371 CG1 VAL A 25 -4.958 -8.757 -12.863 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.340 -8.035 -13.122 1.00 0.00 C ATOM 0 H VAL A 25 -8.410 -10.059 -11.380 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.849 -10.621 -13.745 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.445 -8.809 -11.343 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.685 -7.719 -12.673 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.290 -9.415 -12.307 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.870 -8.966 -13.929 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.025 -7.009 -12.934 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.322 -8.229 -14.194 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.352 -8.179 -12.744 1.00 0.00 H new ATOM 382 N PRO A 26 -5.090 -12.185 -12.873 1.00 0.00 N ATOM 383 CA PRO A 26 -4.179 -13.239 -12.410 1.00 0.00 C ATOM 384 C PRO A 26 -2.920 -12.703 -11.725 1.00 0.00 C ATOM 385 O PRO A 26 -2.029 -13.471 -11.361 1.00 0.00 O ATOM 386 CB PRO A 26 -3.793 -13.983 -13.697 1.00 0.00 C ATOM 387 CG PRO A 26 -4.719 -13.483 -14.753 1.00 0.00 C ATOM 388 CD PRO A 26 -5.106 -12.096 -14.338 1.00 0.00 C ATOM 0 HA PRO A 26 -4.663 -13.862 -11.657 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.754 -13.788 -13.964 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.892 -15.061 -13.569 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.232 -13.477 -15.728 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.596 -14.124 -14.838 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.401 -11.351 -14.707 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.090 -11.819 -14.717 1.00 0.00 H new ATOM 396 N GLY A 27 -2.847 -11.390 -11.553 1.00 0.00 N ATOM 397 CA GLY A 27 -1.701 -10.793 -10.897 1.00 0.00 C ATOM 398 C GLY A 27 -1.975 -10.482 -9.439 1.00 0.00 C ATOM 399 O GLY A 27 -1.130 -9.917 -8.748 1.00 0.00 O ATOM 0 H GLY A 27 -3.561 -10.728 -11.856 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.850 -11.470 -10.969 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.424 -9.876 -11.417 1.00 0.00 H new ATOM 403 N VAL A 28 -3.159 -10.853 -8.971 1.00 0.00 N ATOM 404 CA VAL A 28 -3.552 -10.596 -7.594 1.00 0.00 C ATOM 405 C VAL A 28 -3.089 -11.725 -6.668 1.00 0.00 C ATOM 406 O VAL A 28 -2.977 -12.883 -7.081 1.00 0.00 O ATOM 407 CB VAL A 28 -5.086 -10.402 -7.484 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.810 -11.732 -7.341 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.432 -9.471 -6.329 1.00 0.00 C ATOM 0 H VAL A 28 -3.865 -11.334 -9.527 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.064 -9.674 -7.277 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.426 -9.941 -8.411 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.883 -11.556 -7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.604 -12.354 -8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.463 -12.241 -6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.514 -9.350 -6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.064 -9.897 -5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.966 -8.499 -6.493 1.00 0.00 H new ATOM 419 N GLN A 29 -2.784 -11.375 -5.427 1.00 0.00 N ATOM 420 CA GLN A 29 -2.423 -12.365 -4.424 1.00 0.00 C ATOM 421 C GLN A 29 -3.339 -12.257 -3.212 1.00 0.00 C ATOM 422 O GLN A 29 -3.798 -13.266 -2.681 1.00 0.00 O ATOM 423 CB GLN A 29 -0.960 -12.208 -4.010 1.00 0.00 C ATOM 424 CG GLN A 29 -0.037 -13.207 -4.693 1.00 0.00 C ATOM 425 CD GLN A 29 -0.576 -14.626 -4.638 1.00 0.00 C ATOM 426 OE1 GLN A 29 -0.292 -15.372 -3.700 1.00 0.00 O ATOM 427 NE2 GLN A 29 -1.356 -15.009 -5.639 1.00 0.00 N ATOM 0 H GLN A 29 -2.779 -10.412 -5.091 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.548 -13.356 -4.861 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.629 -11.196 -4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.879 -12.327 -2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.103 -12.915 -5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.943 -13.175 -4.218 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.568 -14.361 -6.398 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.745 -15.952 -5.651 1.00 0.00 H new ATOM 436 N SER A 30 -3.630 -11.033 -2.798 1.00 0.00 N ATOM 437 CA SER A 30 -4.523 -10.812 -1.670 1.00 0.00 C ATOM 438 C SER A 30 -5.201 -9.452 -1.782 1.00 0.00 C ATOM 439 O SER A 30 -4.595 -8.419 -1.510 1.00 0.00 O ATOM 440 CB SER A 30 -3.758 -10.918 -0.343 1.00 0.00 C ATOM 441 OG SER A 30 -2.353 -10.824 -0.543 1.00 0.00 O ATOM 0 H SER A 30 -3.263 -10.182 -3.223 1.00 0.00 H new ATOM 0 HA SER A 30 -5.291 -11.585 -1.688 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.085 -10.126 0.331 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.995 -11.866 0.140 1.00 0.00 H new ATOM 0 HG SER A 30 -1.894 -10.893 0.320 1.00 0.00 H new ATOM 447 N ALA A 31 -6.456 -9.457 -2.203 1.00 0.00 N ATOM 448 CA ALA A 31 -7.214 -8.228 -2.352 1.00 0.00 C ATOM 449 C ALA A 31 -8.190 -8.064 -1.196 1.00 0.00 C ATOM 450 O ALA A 31 -9.256 -8.683 -1.177 1.00 0.00 O ATOM 451 CB ALA A 31 -7.952 -8.218 -3.682 1.00 0.00 C ATOM 0 H ALA A 31 -6.971 -10.302 -2.448 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.520 -7.387 -2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.516 -7.290 -3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.233 -8.292 -4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.637 -9.065 -3.724 1.00 0.00 H new ATOM 457 N LEU A 32 -7.814 -7.243 -0.228 1.00 0.00 N ATOM 458 CA LEU A 32 -8.664 -6.992 0.925 1.00 0.00 C ATOM 459 C LEU A 32 -9.394 -5.669 0.757 1.00 0.00 C ATOM 460 O LEU A 32 -8.786 -4.599 0.796 1.00 0.00 O ATOM 461 CB LEU A 32 -7.852 -6.990 2.228 1.00 0.00 C ATOM 462 CG LEU A 32 -6.366 -6.652 2.088 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.920 -5.748 3.226 1.00 0.00 C ATOM 464 CD2 LEU A 32 -5.530 -7.923 2.058 1.00 0.00 C ATOM 0 H LEU A 32 -6.927 -6.740 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.395 -7.798 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.305 -6.274 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.939 -7.974 2.690 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.219 -6.122 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.861 -5.516 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.498 -4.824 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.081 -6.255 4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.476 -7.663 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.680 -8.479 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.834 -8.538 1.211 1.00 0.00 H new ATOM 476 N VAL A 33 -10.696 -5.748 0.550 1.00 0.00 N ATOM 477 CA VAL A 33 -11.506 -4.566 0.329 1.00 0.00 C ATOM 478 C VAL A 33 -12.287 -4.213 1.587 1.00 0.00 C ATOM 479 O VAL A 33 -13.038 -5.032 2.119 1.00 0.00 O ATOM 480 CB VAL A 33 -12.484 -4.761 -0.847 1.00 0.00 C ATOM 481 CG1 VAL A 33 -13.200 -3.459 -1.179 1.00 0.00 C ATOM 482 CG2 VAL A 33 -11.752 -5.296 -2.069 1.00 0.00 C ATOM 0 H VAL A 33 -11.217 -6.625 0.531 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.829 -3.749 0.080 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.234 -5.493 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.884 -3.622 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.762 -3.121 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.467 -2.701 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.459 -5.427 -2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.978 -4.589 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.294 -6.255 -1.828 1.00 0.00 H new ATOM 492 N SER A 34 -12.093 -2.995 2.056 1.00 0.00 N ATOM 493 CA SER A 34 -12.754 -2.513 3.251 1.00 0.00 C ATOM 494 C SER A 34 -14.083 -1.867 2.886 1.00 0.00 C ATOM 495 O SER A 34 -14.121 -0.731 2.406 1.00 0.00 O ATOM 496 CB SER A 34 -11.854 -1.510 3.969 1.00 0.00 C ATOM 497 OG SER A 34 -10.635 -1.329 3.259 1.00 0.00 O ATOM 0 H SER A 34 -11.473 -2.313 1.619 1.00 0.00 H new ATOM 0 HA SER A 34 -12.948 -3.353 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.370 -0.555 4.065 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.643 -1.861 4.979 1.00 0.00 H new ATOM 0 HG SER A 34 -9.888 -1.653 3.804 1.00 0.00 H new ATOM 503 N TYR A 35 -15.168 -2.595 3.120 1.00 0.00 N ATOM 504 CA TYR A 35 -16.496 -2.145 2.747 1.00 0.00 C ATOM 505 C TYR A 35 -16.903 -0.822 3.431 1.00 0.00 C ATOM 506 O TYR A 35 -17.429 0.053 2.755 1.00 0.00 O ATOM 507 CB TYR A 35 -17.523 -3.280 2.954 1.00 0.00 C ATOM 508 CG TYR A 35 -18.367 -3.229 4.217 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.484 -2.405 4.313 1.00 0.00 C ATOM 510 CD2 TYR A 35 -18.053 -4.031 5.306 1.00 0.00 C ATOM 511 CE1 TYR A 35 -20.258 -2.380 5.460 1.00 0.00 C ATOM 512 CE2 TYR A 35 -18.819 -4.010 6.456 1.00 0.00 C ATOM 513 CZ TYR A 35 -19.918 -3.185 6.527 1.00 0.00 C ATOM 514 OH TYR A 35 -20.684 -3.170 7.673 1.00 0.00 O ATOM 0 H TYR A 35 -15.149 -3.509 3.572 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.479 -1.905 1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.197 -3.287 2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -16.986 -4.228 2.944 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.752 -1.774 3.478 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.194 -4.683 5.253 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -21.122 -1.735 5.519 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.556 -4.638 7.295 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.307 -3.796 8.326 1.00 0.00 H new ATOM 524 N PRO A 36 -16.654 -0.616 4.754 1.00 0.00 N ATOM 525 CA PRO A 36 -17.100 0.605 5.439 1.00 0.00 C ATOM 526 C PRO A 36 -16.302 1.840 5.032 1.00 0.00 C ATOM 527 O PRO A 36 -16.734 2.969 5.251 1.00 0.00 O ATOM 528 CB PRO A 36 -16.876 0.304 6.930 1.00 0.00 C ATOM 529 CG PRO A 36 -16.541 -1.149 7.005 1.00 0.00 C ATOM 530 CD PRO A 36 -15.937 -1.503 5.681 1.00 0.00 C ATOM 0 HA PRO A 36 -18.135 0.836 5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -16.068 0.913 7.335 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.769 0.530 7.513 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.842 -1.347 7.818 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.433 -1.745 7.199 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.862 -1.323 5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.088 -2.554 5.435 1.00 0.00 H new ATOM 538 N LYS A 37 -15.132 1.626 4.450 1.00 0.00 N ATOM 539 CA LYS A 37 -14.270 2.734 4.060 1.00 0.00 C ATOM 540 C LYS A 37 -14.296 2.947 2.549 1.00 0.00 C ATOM 541 O LYS A 37 -13.999 4.037 2.059 1.00 0.00 O ATOM 542 CB LYS A 37 -12.840 2.476 4.530 1.00 0.00 C ATOM 543 CG LYS A 37 -12.118 3.727 5.003 1.00 0.00 C ATOM 544 CD LYS A 37 -10.670 3.731 4.552 1.00 0.00 C ATOM 545 CE LYS A 37 -9.730 4.086 5.690 1.00 0.00 C ATOM 546 NZ LYS A 37 -9.256 2.879 6.417 1.00 0.00 N ATOM 0 H LYS A 37 -14.758 0.701 4.238 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.646 3.640 4.536 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.859 1.749 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.274 2.027 3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.625 4.611 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.163 3.786 6.090 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.409 2.749 4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.544 4.446 3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.873 4.632 5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.239 4.752 6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.617 3.165 7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.071 2.371 6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.748 2.255 5.759 1.00 0.00 H new ATOM 560 N GLY A 38 -14.658 1.904 1.817 1.00 0.00 N ATOM 561 CA GLY A 38 -14.658 1.976 0.372 1.00 0.00 C ATOM 562 C GLY A 38 -13.253 1.921 -0.190 1.00 0.00 C ATOM 563 O GLY A 38 -12.971 2.484 -1.251 1.00 0.00 O ATOM 0 H GLY A 38 -14.953 1.006 2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.245 1.152 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.142 2.899 0.053 1.00 0.00 H new ATOM 567 N THR A 39 -12.366 1.252 0.529 1.00 0.00 N ATOM 568 CA THR A 39 -10.984 1.114 0.102 1.00 0.00 C ATOM 569 C THR A 39 -10.697 -0.310 -0.343 1.00 0.00 C ATOM 570 O THR A 39 -11.267 -1.260 0.187 1.00 0.00 O ATOM 571 CB THR A 39 -10.010 1.483 1.234 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.658 1.323 2.503 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.524 2.915 1.087 1.00 0.00 C ATOM 0 H THR A 39 -12.580 0.794 1.415 1.00 0.00 H new ATOM 0 HA THR A 39 -10.838 1.798 -0.734 1.00 0.00 H new ATOM 0 HB THR A 39 -9.149 0.818 1.175 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.745 0.369 2.708 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.837 3.151 1.899 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.010 3.029 0.132 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.376 3.594 1.123 1.00 0.00 H new ATOM 581 N ALA A 40 -9.817 -0.456 -1.311 1.00 0.00 N ATOM 582 CA ALA A 40 -9.436 -1.768 -1.797 1.00 0.00 C ATOM 583 C ALA A 40 -7.928 -1.936 -1.725 1.00 0.00 C ATOM 584 O ALA A 40 -7.183 -1.244 -2.416 1.00 0.00 O ATOM 585 CB ALA A 40 -9.934 -1.974 -3.219 1.00 0.00 C ATOM 0 H ALA A 40 -9.350 0.320 -1.779 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.898 -2.524 -1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.639 -2.964 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.021 -1.891 -3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.500 -1.215 -3.870 1.00 0.00 H new ATOM 591 N GLN A 41 -7.480 -2.841 -0.877 1.00 0.00 N ATOM 592 CA GLN A 41 -6.056 -3.084 -0.711 1.00 0.00 C ATOM 593 C GLN A 41 -5.660 -4.365 -1.431 1.00 0.00 C ATOM 594 O GLN A 41 -5.681 -5.450 -0.849 1.00 0.00 O ATOM 595 CB GLN A 41 -5.698 -3.181 0.776 1.00 0.00 C ATOM 596 CG GLN A 41 -5.386 -1.840 1.421 1.00 0.00 C ATOM 597 CD GLN A 41 -6.616 -0.974 1.608 1.00 0.00 C ATOM 598 OE1 GLN A 41 -6.787 0.033 0.925 1.00 0.00 O ATOM 599 NE2 GLN A 41 -7.478 -1.357 2.537 1.00 0.00 N ATOM 0 H GLN A 41 -8.080 -3.422 -0.291 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.506 -2.249 -1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.527 -3.646 1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.836 -3.838 0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.917 -2.009 2.390 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.662 -1.306 0.805 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.299 -2.200 3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.321 -0.809 2.707 1.00 0.00 H new ATOM 608 N LEU A 42 -5.314 -4.242 -2.703 1.00 0.00 N ATOM 609 CA LEU A 42 -4.963 -5.408 -3.497 1.00 0.00 C ATOM 610 C LEU A 42 -3.456 -5.628 -3.510 1.00 0.00 C ATOM 611 O LEU A 42 -2.698 -4.833 -4.064 1.00 0.00 O ATOM 612 CB LEU A 42 -5.505 -5.345 -4.950 1.00 0.00 C ATOM 613 CG LEU A 42 -5.812 -3.964 -5.573 1.00 0.00 C ATOM 614 CD1 LEU A 42 -7.055 -3.342 -4.961 1.00 0.00 C ATOM 615 CD2 LEU A 42 -4.628 -3.015 -5.471 1.00 0.00 C ATOM 0 H LEU A 42 -5.269 -3.355 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.447 -6.256 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.780 -5.843 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.422 -5.934 -4.986 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.005 -4.134 -6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.241 -2.372 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.911 -3.995 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.906 -3.211 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.889 -2.057 -5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.371 -2.865 -4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.773 -3.442 -5.996 1.00 0.00 H new ATOM 627 N ALA A 43 -3.022 -6.699 -2.872 1.00 0.00 N ATOM 628 CA ALA A 43 -1.630 -7.088 -2.923 1.00 0.00 C ATOM 629 C ALA A 43 -1.380 -7.857 -4.207 1.00 0.00 C ATOM 630 O ALA A 43 -1.721 -9.038 -4.312 1.00 0.00 O ATOM 631 CB ALA A 43 -1.256 -7.923 -1.711 1.00 0.00 C ATOM 0 H ALA A 43 -3.615 -7.313 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.005 -6.195 -2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.204 -8.203 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.424 -7.343 -0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.870 -8.823 -1.686 1.00 0.00 H new ATOM 637 N ILE A 44 -0.837 -7.171 -5.195 1.00 0.00 N ATOM 638 CA ILE A 44 -0.588 -7.773 -6.492 1.00 0.00 C ATOM 639 C ILE A 44 0.888 -8.101 -6.655 1.00 0.00 C ATOM 640 O ILE A 44 1.732 -7.594 -5.914 1.00 0.00 O ATOM 641 CB ILE A 44 -1.045 -6.849 -7.644 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.556 -5.416 -7.414 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.562 -6.881 -7.774 1.00 0.00 C ATOM 644 CD1 ILE A 44 -0.576 -4.560 -8.664 1.00 0.00 C ATOM 0 H ILE A 44 -0.559 -6.192 -5.124 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.170 -8.694 -6.540 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.607 -7.213 -8.574 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.178 -4.946 -6.652 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.460 -5.446 -7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.871 -6.226 -8.589 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.888 -7.900 -7.984 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.014 -6.540 -6.843 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.217 -3.559 -8.425 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.069 -5.006 -9.421 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.595 -4.498 -9.046 1.00 0.00 H new ATOM 656 N VAL A 45 1.188 -8.965 -7.610 1.00 0.00 N ATOM 657 CA VAL A 45 2.561 -9.338 -7.900 1.00 0.00 C ATOM 658 C VAL A 45 3.217 -8.281 -8.782 1.00 0.00 C ATOM 659 O VAL A 45 2.638 -7.872 -9.795 1.00 0.00 O ATOM 660 CB VAL A 45 2.644 -10.713 -8.601 1.00 0.00 C ATOM 661 CG1 VAL A 45 4.038 -11.300 -8.460 1.00 0.00 C ATOM 662 CG2 VAL A 45 1.601 -11.673 -8.042 1.00 0.00 C ATOM 0 H VAL A 45 0.494 -9.423 -8.201 1.00 0.00 H new ATOM 0 HA VAL A 45 3.089 -9.407 -6.949 1.00 0.00 H new ATOM 0 HB VAL A 45 2.436 -10.566 -9.661 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.077 -12.268 -8.960 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.764 -10.627 -8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.274 -11.427 -7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.680 -12.633 -8.552 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.771 -11.814 -6.975 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.605 -11.260 -8.199 1.00 0.00 H new ATOM 672 N PRO A 46 4.415 -7.807 -8.388 1.00 0.00 N ATOM 673 CA PRO A 46 5.182 -6.823 -9.160 1.00 0.00 C ATOM 674 C PRO A 46 5.316 -7.216 -10.627 1.00 0.00 C ATOM 675 O PRO A 46 6.045 -8.149 -10.977 1.00 0.00 O ATOM 676 CB PRO A 46 6.546 -6.820 -8.472 1.00 0.00 C ATOM 677 CG PRO A 46 6.256 -7.221 -7.069 1.00 0.00 C ATOM 678 CD PRO A 46 5.108 -8.187 -7.144 1.00 0.00 C ATOM 0 HA PRO A 46 4.699 -5.846 -9.175 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.233 -7.518 -8.950 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.010 -5.835 -8.515 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.128 -7.686 -6.608 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.998 -6.354 -6.461 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.455 -9.220 -7.178 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.453 -8.099 -6.277 1.00 0.00 H new ATOM 686 N GLY A 47 4.595 -6.499 -11.472 1.00 0.00 N ATOM 687 CA GLY A 47 4.538 -6.815 -12.881 1.00 0.00 C ATOM 688 C GLY A 47 3.160 -6.533 -13.424 1.00 0.00 C ATOM 689 O GLY A 47 3.000 -6.053 -14.546 1.00 0.00 O ATOM 0 H GLY A 47 4.038 -5.689 -11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.278 -6.226 -13.423 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.790 -7.864 -13.036 1.00 0.00 H new ATOM 693 N THR A 48 2.163 -6.836 -12.612 1.00 0.00 N ATOM 694 CA THR A 48 0.790 -6.499 -12.928 1.00 0.00 C ATOM 695 C THR A 48 0.556 -5.011 -12.729 1.00 0.00 C ATOM 696 O THR A 48 0.962 -4.438 -11.717 1.00 0.00 O ATOM 697 CB THR A 48 -0.194 -7.295 -12.053 1.00 0.00 C ATOM 698 OG1 THR A 48 0.470 -8.433 -11.481 1.00 0.00 O ATOM 699 CG2 THR A 48 -1.392 -7.757 -12.865 1.00 0.00 C ATOM 0 H THR A 48 2.282 -7.319 -11.722 1.00 0.00 H new ATOM 0 HA THR A 48 0.615 -6.760 -13.972 1.00 0.00 H new ATOM 0 HB THR A 48 -0.548 -6.641 -11.256 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.177 -8.550 -10.553 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.072 -8.317 -12.223 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.910 -6.890 -13.274 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.054 -8.396 -13.681 1.00 0.00 H new ATOM 707 N SER A 49 -0.071 -4.386 -13.706 1.00 0.00 N ATOM 708 CA SER A 49 -0.311 -2.963 -13.662 1.00 0.00 C ATOM 709 C SER A 49 -1.540 -2.628 -12.821 1.00 0.00 C ATOM 710 O SER A 49 -2.630 -3.148 -13.064 1.00 0.00 O ATOM 711 CB SER A 49 -0.488 -2.439 -15.082 1.00 0.00 C ATOM 712 OG SER A 49 -0.015 -3.387 -16.027 1.00 0.00 O ATOM 0 H SER A 49 -0.424 -4.848 -14.544 1.00 0.00 H new ATOM 0 HA SER A 49 0.548 -2.482 -13.194 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.541 -2.226 -15.268 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.053 -1.500 -15.199 1.00 0.00 H new ATOM 0 HG SER A 49 -0.138 -3.035 -16.933 1.00 0.00 H new ATOM 718 N PRO A 50 -1.385 -1.755 -11.813 1.00 0.00 N ATOM 719 CA PRO A 50 -2.508 -1.300 -10.993 1.00 0.00 C ATOM 720 C PRO A 50 -3.463 -0.399 -11.767 1.00 0.00 C ATOM 721 O PRO A 50 -4.621 -0.218 -11.382 1.00 0.00 O ATOM 722 CB PRO A 50 -1.838 -0.531 -9.853 1.00 0.00 C ATOM 723 CG PRO A 50 -0.523 -0.097 -10.405 1.00 0.00 C ATOM 724 CD PRO A 50 -0.103 -1.169 -11.373 1.00 0.00 C ATOM 0 HA PRO A 50 -3.123 -2.132 -10.650 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.440 0.325 -9.546 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.709 -1.162 -8.973 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.609 0.868 -10.905 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.214 0.021 -9.610 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.459 -0.756 -12.211 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.536 -1.912 -10.897 1.00 0.00 H new ATOM 732 N ASP A 51 -2.982 0.142 -12.877 1.00 0.00 N ATOM 733 CA ASP A 51 -3.812 0.944 -13.755 1.00 0.00 C ATOM 734 C ASP A 51 -4.791 0.029 -14.459 1.00 0.00 C ATOM 735 O ASP A 51 -5.886 0.432 -14.848 1.00 0.00 O ATOM 736 CB ASP A 51 -2.935 1.693 -14.763 1.00 0.00 C ATOM 737 CG ASP A 51 -3.463 1.658 -16.187 1.00 0.00 C ATOM 738 OD1 ASP A 51 -4.279 2.534 -16.545 1.00 0.00 O ATOM 739 OD2 ASP A 51 -3.086 0.738 -16.944 1.00 0.00 O ATOM 0 H ASP A 51 -2.017 0.038 -13.189 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.365 1.687 -13.180 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.842 2.732 -14.446 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.933 1.264 -14.747 1.00 0.00 H new ATOM 744 N ALA A 52 -4.395 -1.227 -14.562 1.00 0.00 N ATOM 745 CA ALA A 52 -5.202 -2.228 -15.229 1.00 0.00 C ATOM 746 C ALA A 52 -6.372 -2.632 -14.347 1.00 0.00 C ATOM 747 O ALA A 52 -7.475 -2.867 -14.829 1.00 0.00 O ATOM 748 CB ALA A 52 -4.360 -3.438 -15.608 1.00 0.00 C ATOM 0 H ALA A 52 -3.513 -1.578 -14.189 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.598 -1.798 -16.149 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.988 -4.176 -16.107 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.560 -3.128 -16.280 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.929 -3.877 -14.708 1.00 0.00 H new ATOM 754 N LEU A 53 -6.121 -2.685 -13.044 1.00 0.00 N ATOM 755 CA LEU A 53 -7.168 -2.969 -12.075 1.00 0.00 C ATOM 756 C LEU A 53 -8.145 -1.803 -12.043 1.00 0.00 C ATOM 757 O LEU A 53 -9.363 -1.989 -12.042 1.00 0.00 O ATOM 758 CB LEU A 53 -6.568 -3.190 -10.684 1.00 0.00 C ATOM 759 CG LEU A 53 -5.335 -4.095 -10.640 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.524 -3.834 -9.381 1.00 0.00 C ATOM 761 CD2 LEU A 53 -5.747 -5.555 -10.717 1.00 0.00 C ATOM 0 H LEU A 53 -5.199 -2.534 -12.635 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.691 -3.879 -12.368 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.302 -2.220 -10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.336 -3.618 -10.039 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.709 -3.867 -11.503 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.652 -4.487 -9.368 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.199 -2.794 -9.367 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.139 -4.034 -8.504 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.859 -6.186 -10.685 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.394 -5.795 -9.873 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.284 -5.733 -11.648 1.00 0.00 H new ATOM 773 N THR A 54 -7.586 -0.600 -12.044 1.00 0.00 N ATOM 774 CA THR A 54 -8.373 0.621 -12.102 1.00 0.00 C ATOM 775 C THR A 54 -9.270 0.626 -13.337 1.00 0.00 C ATOM 776 O THR A 54 -10.481 0.842 -13.243 1.00 0.00 O ATOM 777 CB THR A 54 -7.456 1.863 -12.125 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.521 1.794 -11.042 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.260 3.150 -12.023 1.00 0.00 C ATOM 0 H THR A 54 -6.579 -0.445 -12.005 1.00 0.00 H new ATOM 0 HA THR A 54 -8.997 0.658 -11.209 1.00 0.00 H new ATOM 0 HB THR A 54 -6.923 1.870 -13.076 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.798 1.174 -11.273 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.583 4.004 -12.042 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.951 3.215 -12.864 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.823 3.154 -11.090 1.00 0.00 H new ATOM 787 N ALA A 55 -8.668 0.366 -14.490 1.00 0.00 N ATOM 788 CA ALA A 55 -9.408 0.352 -15.743 1.00 0.00 C ATOM 789 C ALA A 55 -10.414 -0.790 -15.774 1.00 0.00 C ATOM 790 O ALA A 55 -11.460 -0.683 -16.407 1.00 0.00 O ATOM 791 CB ALA A 55 -8.457 0.261 -16.926 1.00 0.00 C ATOM 0 H ALA A 55 -7.673 0.163 -14.583 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.961 1.288 -15.816 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.030 0.252 -17.853 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.787 1.121 -16.922 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.871 -0.655 -16.852 1.00 0.00 H new ATOM 797 N ALA A 56 -10.089 -1.884 -15.097 1.00 0.00 N ATOM 798 CA ALA A 56 -11.006 -3.012 -14.991 1.00 0.00 C ATOM 799 C ALA A 56 -12.255 -2.618 -14.211 1.00 0.00 C ATOM 800 O ALA A 56 -13.376 -2.873 -14.651 1.00 0.00 O ATOM 801 CB ALA A 56 -10.324 -4.206 -14.337 1.00 0.00 C ATOM 0 H ALA A 56 -9.200 -2.014 -14.614 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.305 -3.300 -15.999 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.028 -5.035 -14.269 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.465 -4.508 -14.936 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.990 -3.931 -13.337 1.00 0.00 H new ATOM 807 N VAL A 57 -12.058 -1.974 -13.064 1.00 0.00 N ATOM 808 CA VAL A 57 -13.181 -1.549 -12.234 1.00 0.00 C ATOM 809 C VAL A 57 -13.980 -0.442 -12.921 1.00 0.00 C ATOM 810 O VAL A 57 -15.212 -0.472 -12.927 1.00 0.00 O ATOM 811 CB VAL A 57 -12.719 -1.075 -10.845 1.00 0.00 C ATOM 812 CG1 VAL A 57 -13.911 -0.701 -9.973 1.00 0.00 C ATOM 813 CG2 VAL A 57 -11.878 -2.144 -10.164 1.00 0.00 C ATOM 0 H VAL A 57 -11.139 -1.736 -12.690 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.823 -2.419 -12.099 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.103 -0.186 -10.981 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.558 -0.369 -8.997 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.472 0.104 -10.449 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.558 -1.570 -9.849 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.562 -1.788 -9.183 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.469 -3.052 -10.047 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.000 -2.358 -10.773 1.00 0.00 H new ATOM 823 N ALA A 58 -13.280 0.527 -13.514 1.00 0.00 N ATOM 824 CA ALA A 58 -13.945 1.594 -14.252 1.00 0.00 C ATOM 825 C ALA A 58 -14.666 1.042 -15.476 1.00 0.00 C ATOM 826 O ALA A 58 -15.744 1.514 -15.849 1.00 0.00 O ATOM 827 CB ALA A 58 -12.946 2.668 -14.657 1.00 0.00 C ATOM 0 H ALA A 58 -12.262 0.592 -13.496 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.689 2.046 -13.597 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.461 3.456 -15.207 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.484 3.091 -13.765 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.176 2.228 -15.290 1.00 0.00 H new ATOM 833 N GLY A 59 -14.076 0.026 -16.085 1.00 0.00 N ATOM 834 CA GLY A 59 -14.661 -0.586 -17.261 1.00 0.00 C ATOM 835 C GLY A 59 -15.896 -1.399 -16.937 1.00 0.00 C ATOM 836 O GLY A 59 -16.715 -1.676 -17.812 1.00 0.00 O ATOM 0 H GLY A 59 -13.195 -0.390 -15.783 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.920 0.191 -17.980 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.921 -1.229 -17.738 1.00 0.00 H new ATOM 840 N LEU A 60 -16.040 -1.769 -15.672 1.00 0.00 N ATOM 841 CA LEU A 60 -17.184 -2.553 -15.227 1.00 0.00 C ATOM 842 C LEU A 60 -18.366 -1.646 -14.894 1.00 0.00 C ATOM 843 O LEU A 60 -19.311 -2.053 -14.213 1.00 0.00 O ATOM 844 CB LEU A 60 -16.800 -3.401 -14.016 1.00 0.00 C ATOM 845 CG LEU A 60 -16.631 -4.898 -14.297 1.00 0.00 C ATOM 846 CD1 LEU A 60 -16.097 -5.612 -13.067 1.00 0.00 C ATOM 847 CD2 LEU A 60 -17.952 -5.514 -14.736 1.00 0.00 C ATOM 0 H LEU A 60 -15.376 -1.538 -14.933 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.486 -3.216 -16.038 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.867 -3.017 -13.604 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.563 -3.275 -13.248 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.911 -5.015 -15.107 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.983 -6.674 -13.284 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.129 -5.191 -12.794 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -16.795 -5.483 -12.240 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.811 -6.577 -14.931 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.694 -5.385 -13.948 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.299 -5.022 -15.645 1.00 0.00 H new ATOM 859 N GLY A 61 -18.298 -0.412 -15.373 1.00 0.00 N ATOM 860 CA GLY A 61 -19.380 0.530 -15.180 1.00 0.00 C ATOM 861 C GLY A 61 -19.226 1.342 -13.912 1.00 0.00 C ATOM 862 O GLY A 61 -19.900 2.356 -13.730 1.00 0.00 O ATOM 0 H GLY A 61 -17.504 -0.044 -15.897 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.427 1.204 -16.035 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.326 -0.011 -15.148 1.00 0.00 H new ATOM 866 N TYR A 62 -18.343 0.895 -13.034 1.00 0.00 N ATOM 867 CA TYR A 62 -18.099 1.592 -11.783 1.00 0.00 C ATOM 868 C TYR A 62 -16.968 2.591 -11.965 1.00 0.00 C ATOM 869 O TYR A 62 -16.475 2.785 -13.076 1.00 0.00 O ATOM 870 CB TYR A 62 -17.753 0.604 -10.661 1.00 0.00 C ATOM 871 CG TYR A 62 -18.482 -0.720 -10.752 1.00 0.00 C ATOM 872 CD1 TYR A 62 -19.868 -0.765 -10.835 1.00 0.00 C ATOM 873 CD2 TYR A 62 -17.786 -1.924 -10.751 1.00 0.00 C ATOM 874 CE1 TYR A 62 -20.539 -1.968 -10.915 1.00 0.00 C ATOM 875 CE2 TYR A 62 -18.451 -3.130 -10.829 1.00 0.00 C ATOM 876 CZ TYR A 62 -19.813 -3.155 -10.928 1.00 0.00 C ATOM 877 OH TYR A 62 -20.493 -4.350 -10.977 1.00 0.00 O ATOM 0 H TYR A 62 -17.783 0.052 -13.165 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.009 2.121 -11.500 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.679 0.416 -10.676 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -17.982 1.067 -9.701 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.430 0.157 -10.837 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.708 -1.915 -10.688 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.618 -1.988 -10.967 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.894 -4.055 -10.812 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.405 -4.812 -10.117 1.00 0.00 H new ATOM 887 N LYS A 63 -16.560 3.229 -10.882 1.00 0.00 N ATOM 888 CA LYS A 63 -15.470 4.182 -10.939 1.00 0.00 C ATOM 889 C LYS A 63 -14.351 3.737 -10.013 1.00 0.00 C ATOM 890 O LYS A 63 -14.559 3.571 -8.811 1.00 0.00 O ATOM 891 CB LYS A 63 -15.958 5.579 -10.551 1.00 0.00 C ATOM 892 CG LYS A 63 -16.159 6.509 -11.739 1.00 0.00 C ATOM 893 CD LYS A 63 -17.316 6.049 -12.615 1.00 0.00 C ATOM 894 CE LYS A 63 -18.322 7.164 -12.846 1.00 0.00 C ATOM 895 NZ LYS A 63 -19.655 6.837 -12.276 1.00 0.00 N ATOM 0 H LYS A 63 -16.967 3.104 -9.955 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.091 4.224 -11.960 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.899 5.488 -10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.238 6.028 -9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.351 7.521 -11.382 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.245 6.548 -12.332 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.931 5.701 -13.574 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.814 5.201 -12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.952 8.085 -12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.420 7.348 -13.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.312 7.623 -12.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.021 5.972 -12.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.567 6.687 -11.251 1.00 0.00 H new ATOM 909 N ALA A 64 -13.176 3.511 -10.572 1.00 0.00 N ATOM 910 CA ALA A 64 -12.030 3.132 -9.768 1.00 0.00 C ATOM 911 C ALA A 64 -11.071 4.298 -9.604 1.00 0.00 C ATOM 912 O ALA A 64 -10.669 4.935 -10.580 1.00 0.00 O ATOM 913 CB ALA A 64 -11.316 1.944 -10.386 1.00 0.00 C ATOM 0 H ALA A 64 -12.991 3.583 -11.573 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.391 2.847 -8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.459 1.674 -9.769 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.001 1.098 -10.446 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.974 2.206 -11.387 1.00 0.00 H new ATOM 919 N THR A 65 -10.727 4.582 -8.367 1.00 0.00 N ATOM 920 CA THR A 65 -9.729 5.583 -8.053 1.00 0.00 C ATOM 921 C THR A 65 -8.704 4.942 -7.126 1.00 0.00 C ATOM 922 O THR A 65 -8.792 3.745 -6.866 1.00 0.00 O ATOM 923 CB THR A 65 -10.373 6.822 -7.390 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.724 6.982 -7.855 1.00 0.00 O ATOM 925 CG2 THR A 65 -9.583 8.089 -7.706 1.00 0.00 C ATOM 0 H THR A 65 -11.131 4.126 -7.549 1.00 0.00 H new ATOM 0 HA THR A 65 -9.247 5.929 -8.967 1.00 0.00 H new ATOM 0 HB THR A 65 -10.367 6.665 -6.311 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.302 6.327 -7.412 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.060 8.944 -7.226 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.564 7.985 -7.333 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.560 8.244 -8.785 1.00 0.00 H new ATOM 933 N LEU A 66 -7.752 5.702 -6.620 1.00 0.00 N ATOM 934 CA LEU A 66 -6.743 5.132 -5.740 1.00 0.00 C ATOM 935 C LEU A 66 -6.192 6.185 -4.798 1.00 0.00 C ATOM 936 O LEU A 66 -6.131 7.368 -5.133 1.00 0.00 O ATOM 937 CB LEU A 66 -5.604 4.499 -6.549 1.00 0.00 C ATOM 938 CG LEU A 66 -5.086 5.332 -7.723 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.575 5.463 -7.654 1.00 0.00 C ATOM 940 CD2 LEU A 66 -5.502 4.707 -9.045 1.00 0.00 C ATOM 0 H LEU A 66 -7.654 6.702 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.221 4.352 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.772 4.297 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.945 3.537 -6.932 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.525 6.328 -7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.223 6.058 -8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.294 5.952 -6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.122 4.473 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.125 5.313 -9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.090 3.700 -9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.590 4.659 -9.098 1.00 0.00 H new ATOM 952 N ALA A 67 -5.814 5.745 -3.614 1.00 0.00 N ATOM 953 CA ALA A 67 -5.252 6.627 -2.604 1.00 0.00 C ATOM 954 C ALA A 67 -4.277 5.854 -1.731 1.00 0.00 C ATOM 955 O ALA A 67 -4.649 5.342 -0.671 1.00 0.00 O ATOM 956 CB ALA A 67 -6.356 7.248 -1.756 1.00 0.00 C ATOM 0 H ALA A 67 -5.886 4.770 -3.323 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.716 7.435 -3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.914 7.904 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.024 7.825 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.921 6.459 -1.259 1.00 0.00 H new ATOM 962 N ASP A 68 -3.036 5.756 -2.192 1.00 0.00 N ATOM 963 CA ASP A 68 -2.022 4.961 -1.516 1.00 0.00 C ATOM 964 C ASP A 68 -1.699 5.522 -0.142 1.00 0.00 C ATOM 965 O ASP A 68 -1.448 4.770 0.801 1.00 0.00 O ATOM 966 CB ASP A 68 -0.747 4.869 -2.359 1.00 0.00 C ATOM 967 CG ASP A 68 -0.245 3.444 -2.467 1.00 0.00 C ATOM 968 OD1 ASP A 68 -1.004 2.525 -2.102 1.00 0.00 O ATOM 969 OD2 ASP A 68 0.906 3.237 -2.909 1.00 0.00 O ATOM 0 H ASP A 68 -2.707 6.222 -3.038 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.430 3.959 -1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.942 5.262 -3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.028 5.495 -1.916 1.00 0.00 H new ATOM 974 N ALA A 69 -1.732 6.837 -0.024 1.00 0.00 N ATOM 975 CA ALA A 69 -1.479 7.493 1.248 1.00 0.00 C ATOM 976 C ALA A 69 -2.426 8.666 1.433 1.00 0.00 C ATOM 977 O ALA A 69 -2.704 9.368 0.435 1.00 0.00 O ATOM 978 CB ALA A 69 -0.031 7.953 1.338 1.00 0.00 C ATOM 979 OXT ALA A 69 -2.909 8.873 2.563 1.00 0.00 O ATOM 0 H ALA A 69 -1.932 7.474 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.656 6.775 2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.137 8.441 2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.631 7.091 1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.178 8.656 0.532 1.00 0.00 H new TER 985 ALA A 69