USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 475 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 17 HIS : no HD1:sc= 0.845 K(o=2.2,f=-7.4!) USER MOD Set 1.2: A 62 TYR OH : rot -172:sc= 1.31 USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0.0167 USER MOD Set 2.2: A 14 CYS SG : rot -120:sc= -1.16! USER MOD Set 3.1: A 7 THR OG1 : rot -114:sc= 0.468 USER MOD Set 3.2: A 65 THR OG1 : rot -170:sc= 0.41 USER MOD Single : A 3 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 159:sc= -0.118 (180deg=-0.529) USER MOD Single : A 9 MET CE :methyl 156:sc= -4.73! (180deg=-5.24!) USER MOD Single : A 11 CYS SG : rot -37:sc= 0.622 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= 1.24 (180deg=0.71) USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= 1.16 (180deg=0.988) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.0436 F(o=-0.77,f=-0.044) USER MOD Single : A 30 SER OG : rot 180:sc= -0.137 USER MOD Single : A 34 SER OG : rot 180:sc= 0 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 39 THR OG1 : rot 180:sc= -0.0793 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0931 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -3.147 1.220 -3.342 1.00 0.00 N ATOM 35 CA HIS A 3 -4.456 1.255 -2.708 1.00 0.00 C ATOM 36 C HIS A 3 -5.446 1.904 -3.661 1.00 0.00 C ATOM 37 O HIS A 3 -5.156 2.943 -4.257 1.00 0.00 O ATOM 38 CB HIS A 3 -4.441 2.047 -1.400 1.00 0.00 C ATOM 39 CG HIS A 3 -3.605 1.459 -0.297 1.00 0.00 C ATOM 40 ND1 HIS A 3 -3.571 1.985 0.978 1.00 0.00 N ATOM 41 CD2 HIS A 3 -2.759 0.399 -0.283 1.00 0.00 C ATOM 42 CE1 HIS A 3 -2.747 1.272 1.725 1.00 0.00 C ATOM 43 NE2 HIS A 3 -2.238 0.305 0.983 1.00 0.00 N ATOM 0 HA HIS A 3 -4.743 0.229 -2.477 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.079 3.054 -1.609 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.466 2.144 -1.043 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.536 -0.252 -1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.527 1.450 2.767 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -1.568 -0.396 1.299 1.00 0.00 H new ATOM 52 N LEU A 4 -6.608 1.304 -3.790 1.00 0.00 N ATOM 53 CA LEU A 4 -7.614 1.788 -4.723 1.00 0.00 C ATOM 54 C LEU A 4 -8.803 2.351 -3.968 1.00 0.00 C ATOM 55 O LEU A 4 -9.129 1.891 -2.877 1.00 0.00 O ATOM 56 CB LEU A 4 -8.073 0.664 -5.654 1.00 0.00 C ATOM 57 CG LEU A 4 -7.787 0.892 -7.139 1.00 0.00 C ATOM 58 CD1 LEU A 4 -6.343 0.541 -7.466 1.00 0.00 C ATOM 59 CD2 LEU A 4 -8.743 0.073 -7.990 1.00 0.00 C ATOM 0 H LEU A 4 -6.885 0.477 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.168 2.579 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.589 -0.263 -5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.146 0.522 -5.525 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.940 1.948 -7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.159 0.710 -8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.674 1.168 -6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.161 -0.507 -7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.529 0.244 -9.045 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.618 -0.985 -7.762 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.769 0.372 -7.775 1.00 0.00 H new ATOM 71 N LYS A 5 -9.440 3.348 -4.546 1.00 0.00 N ATOM 72 CA LYS A 5 -10.598 3.975 -3.923 1.00 0.00 C ATOM 73 C LYS A 5 -11.863 3.634 -4.702 1.00 0.00 C ATOM 74 O LYS A 5 -11.884 3.704 -5.932 1.00 0.00 O ATOM 75 CB LYS A 5 -10.403 5.493 -3.846 1.00 0.00 C ATOM 76 CG LYS A 5 -11.640 6.257 -3.383 1.00 0.00 C ATOM 77 CD LYS A 5 -11.584 6.576 -1.897 1.00 0.00 C ATOM 78 CE LYS A 5 -10.647 7.738 -1.607 1.00 0.00 C ATOM 79 NZ LYS A 5 -11.093 9.002 -2.255 1.00 0.00 N ATOM 0 H LYS A 5 -9.178 3.746 -5.448 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.703 3.591 -2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.580 5.709 -3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.108 5.861 -4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.728 7.183 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.532 5.667 -3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.585 6.817 -1.538 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.252 5.695 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.582 7.889 -0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.645 7.489 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.662 9.813 -1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.800 9.003 -3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.129 9.075 -2.198 1.00 0.00 H new ATOM 93 N ILE A 6 -12.907 3.248 -3.984 1.00 0.00 N ATOM 94 CA ILE A 6 -14.172 2.888 -4.607 1.00 0.00 C ATOM 95 C ILE A 6 -15.020 4.138 -4.838 1.00 0.00 C ATOM 96 O ILE A 6 -15.226 4.937 -3.922 1.00 0.00 O ATOM 97 CB ILE A 6 -14.943 1.850 -3.739 1.00 0.00 C ATOM 98 CG1 ILE A 6 -14.629 0.424 -4.207 1.00 0.00 C ATOM 99 CG2 ILE A 6 -16.451 2.082 -3.774 1.00 0.00 C ATOM 100 CD1 ILE A 6 -13.194 0.001 -3.971 1.00 0.00 C ATOM 0 H ILE A 6 -12.903 3.176 -2.967 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.963 2.427 -5.572 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.608 1.980 -2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -15.292 -0.271 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.850 0.345 -5.271 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.948 1.335 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.675 3.078 -3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -16.808 1.999 -4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.052 -1.019 -4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.524 0.671 -4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.972 0.046 -2.905 1.00 0.00 H new ATOM 112 N THR A 7 -15.486 4.326 -6.065 1.00 0.00 N ATOM 113 CA THR A 7 -16.312 5.477 -6.391 1.00 0.00 C ATOM 114 C THR A 7 -17.547 5.052 -7.186 1.00 0.00 C ATOM 115 O THR A 7 -17.515 4.057 -7.917 1.00 0.00 O ATOM 116 CB THR A 7 -15.519 6.526 -7.198 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.162 6.089 -7.376 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.532 7.875 -6.492 1.00 0.00 C ATOM 0 H THR A 7 -15.306 3.698 -6.848 1.00 0.00 H new ATOM 0 HA THR A 7 -16.628 5.925 -5.449 1.00 0.00 H new ATOM 0 HB THR A 7 -15.995 6.637 -8.172 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.558 6.691 -6.893 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.967 8.599 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.561 8.219 -6.384 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.078 7.774 -5.506 1.00 0.00 H new ATOM 126 N GLY A 8 -18.645 5.775 -7.008 1.00 0.00 N ATOM 127 CA GLY A 8 -19.850 5.507 -7.768 1.00 0.00 C ATOM 128 C GLY A 8 -20.722 4.452 -7.119 1.00 0.00 C ATOM 129 O GLY A 8 -21.950 4.548 -7.143 1.00 0.00 O ATOM 0 H GLY A 8 -18.722 6.547 -6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.421 6.429 -7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.578 5.182 -8.772 1.00 0.00 H new ATOM 133 N MET A 9 -20.086 3.450 -6.528 1.00 0.00 N ATOM 134 CA MET A 9 -20.802 2.350 -5.902 1.00 0.00 C ATOM 135 C MET A 9 -21.261 2.730 -4.501 1.00 0.00 C ATOM 136 O MET A 9 -20.765 3.693 -3.915 1.00 0.00 O ATOM 137 CB MET A 9 -19.924 1.106 -5.846 1.00 0.00 C ATOM 138 CG MET A 9 -19.119 0.887 -7.103 1.00 0.00 C ATOM 139 SD MET A 9 -17.855 -0.383 -6.899 1.00 0.00 S ATOM 140 CE MET A 9 -16.380 0.542 -7.318 1.00 0.00 C ATOM 0 H MET A 9 -19.070 3.377 -6.470 1.00 0.00 H new ATOM 0 HA MET A 9 -21.683 2.132 -6.506 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.245 1.187 -4.997 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.553 0.234 -5.669 1.00 0.00 H new ATOM 0 HG2 MET A 9 -19.788 0.602 -7.915 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.645 1.824 -7.395 1.00 0.00 H new ATOM 0 HE1 MET A 9 -15.513 0.074 -6.852 1.00 0.00 H new ATOM 0 HE2 MET A 9 -16.251 0.550 -8.400 1.00 0.00 H new ATOM 0 HE3 MET A 9 -16.478 1.566 -6.957 1.00 0.00 H new ATOM 150 N THR A 10 -22.194 1.960 -3.961 1.00 0.00 N ATOM 151 CA THR A 10 -22.779 2.256 -2.664 1.00 0.00 C ATOM 152 C THR A 10 -22.089 1.474 -1.545 1.00 0.00 C ATOM 153 O THR A 10 -22.615 1.377 -0.438 1.00 0.00 O ATOM 154 CB THR A 10 -24.279 1.919 -2.675 1.00 0.00 C ATOM 155 OG1 THR A 10 -24.689 1.622 -4.017 1.00 0.00 O ATOM 156 CG2 THR A 10 -25.100 3.076 -2.136 1.00 0.00 C ATOM 0 H THR A 10 -22.564 1.120 -4.406 1.00 0.00 H new ATOM 0 HA THR A 10 -22.640 3.320 -2.473 1.00 0.00 H new ATOM 0 HB THR A 10 -24.445 1.053 -2.034 1.00 0.00 H new ATOM 0 HG1 THR A 10 -25.645 1.405 -4.027 1.00 0.00 H new ATOM 0 HG21 THR A 10 -26.157 2.812 -2.155 1.00 0.00 H new ATOM 0 HG22 THR A 10 -24.798 3.290 -1.111 1.00 0.00 H new ATOM 0 HG23 THR A 10 -24.936 3.958 -2.755 1.00 0.00 H new ATOM 164 N CYS A 11 -20.871 1.005 -1.835 1.00 0.00 N ATOM 165 CA CYS A 11 -20.104 0.080 -0.976 1.00 0.00 C ATOM 166 C CYS A 11 -20.913 -1.150 -0.520 1.00 0.00 C ATOM 167 O CYS A 11 -22.134 -1.107 -0.381 1.00 0.00 O ATOM 168 CB CYS A 11 -19.516 0.816 0.231 1.00 0.00 C ATOM 169 SG CYS A 11 -20.612 0.947 1.664 1.00 0.00 S ATOM 0 H CYS A 11 -20.376 1.259 -2.690 1.00 0.00 H new ATOM 0 HA CYS A 11 -19.291 -0.300 -1.595 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -18.603 0.306 0.538 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -19.230 1.821 -0.080 1.00 0.00 H new ATOM 0 HG CYS A 11 -21.834 1.132 1.260 1.00 0.00 H new ATOM 175 N ASP A 12 -20.190 -2.253 -0.295 1.00 0.00 N ATOM 176 CA ASP A 12 -20.788 -3.570 -0.023 1.00 0.00 C ATOM 177 C ASP A 12 -21.562 -4.071 -1.242 1.00 0.00 C ATOM 178 O ASP A 12 -22.284 -3.309 -1.880 1.00 0.00 O ATOM 179 CB ASP A 12 -21.699 -3.550 1.209 1.00 0.00 C ATOM 180 CG ASP A 12 -21.902 -4.940 1.788 1.00 0.00 C ATOM 181 OD1 ASP A 12 -21.395 -5.921 1.197 1.00 0.00 O ATOM 182 OD2 ASP A 12 -22.567 -5.061 2.837 1.00 0.00 O ATOM 0 H ASP A 12 -19.170 -2.260 -0.296 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.967 -4.256 0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.266 -2.900 1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.666 -3.125 0.939 1.00 0.00 H new ATOM 187 N SER A 13 -21.400 -5.358 -1.561 1.00 0.00 N ATOM 188 CA SER A 13 -21.940 -5.956 -2.793 1.00 0.00 C ATOM 189 C SER A 13 -21.222 -5.388 -4.020 1.00 0.00 C ATOM 190 O SER A 13 -20.646 -6.134 -4.813 1.00 0.00 O ATOM 191 CB SER A 13 -23.457 -5.749 -2.896 1.00 0.00 C ATOM 192 OG SER A 13 -24.070 -5.846 -1.618 1.00 0.00 O ATOM 0 H SER A 13 -20.891 -6.019 -0.974 1.00 0.00 H new ATOM 0 HA SER A 13 -21.760 -7.030 -2.756 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.666 -4.772 -3.331 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.885 -6.494 -3.567 1.00 0.00 H new ATOM 0 HG SER A 13 -25.036 -5.709 -1.707 1.00 0.00 H new ATOM 198 N CYS A 14 -21.238 -4.068 -4.147 1.00 0.00 N ATOM 199 CA CYS A 14 -20.468 -3.367 -5.160 1.00 0.00 C ATOM 200 C CYS A 14 -18.990 -3.686 -4.988 1.00 0.00 C ATOM 201 O CYS A 14 -18.286 -4.014 -5.943 1.00 0.00 O ATOM 202 CB CYS A 14 -20.693 -1.863 -5.005 1.00 0.00 C ATOM 203 SG CYS A 14 -22.419 -1.351 -5.164 1.00 0.00 S ATOM 0 H CYS A 14 -21.788 -3.453 -3.547 1.00 0.00 H new ATOM 0 HA CYS A 14 -20.788 -3.685 -6.152 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.322 -1.550 -4.029 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.100 -1.339 -5.755 1.00 0.00 H new ATOM 0 HG CYS A 14 -22.534 -0.516 -6.153 1.00 0.00 H new ATOM 209 N ALA A 15 -18.545 -3.623 -3.739 1.00 0.00 N ATOM 210 CA ALA A 15 -17.163 -3.923 -3.399 1.00 0.00 C ATOM 211 C ALA A 15 -16.888 -5.414 -3.553 1.00 0.00 C ATOM 212 O ALA A 15 -15.751 -5.823 -3.765 1.00 0.00 O ATOM 213 CB ALA A 15 -16.853 -3.466 -1.982 1.00 0.00 C ATOM 0 H ALA A 15 -19.127 -3.365 -2.942 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.512 -3.381 -4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.815 -3.698 -1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.012 -2.390 -1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.510 -3.982 -1.282 1.00 0.00 H new ATOM 219 N ALA A 16 -17.943 -6.218 -3.463 1.00 0.00 N ATOM 220 CA ALA A 16 -17.812 -7.662 -3.596 1.00 0.00 C ATOM 221 C ALA A 16 -17.580 -8.028 -5.055 1.00 0.00 C ATOM 222 O ALA A 16 -16.774 -8.900 -5.365 1.00 0.00 O ATOM 223 CB ALA A 16 -19.050 -8.365 -3.056 1.00 0.00 C ATOM 0 H ALA A 16 -18.896 -5.893 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.954 -7.993 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.933 -9.443 -3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.178 -8.118 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.927 -8.038 -3.614 1.00 0.00 H new ATOM 229 N HIS A 17 -18.293 -7.343 -5.943 1.00 0.00 N ATOM 230 CA HIS A 17 -18.107 -7.510 -7.380 1.00 0.00 C ATOM 231 C HIS A 17 -16.671 -7.169 -7.764 1.00 0.00 C ATOM 232 O HIS A 17 -15.996 -7.939 -8.448 1.00 0.00 O ATOM 233 CB HIS A 17 -19.081 -6.606 -8.145 1.00 0.00 C ATOM 234 CG HIS A 17 -19.584 -7.195 -9.429 1.00 0.00 C ATOM 235 ND1 HIS A 17 -20.533 -6.579 -10.218 1.00 0.00 N ATOM 236 CD2 HIS A 17 -19.266 -8.346 -10.061 1.00 0.00 C ATOM 237 CE1 HIS A 17 -20.777 -7.330 -11.275 1.00 0.00 C ATOM 238 NE2 HIS A 17 -20.023 -8.407 -11.203 1.00 0.00 N ATOM 0 H HIS A 17 -19.010 -6.663 -5.690 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.307 -8.549 -7.643 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.933 -6.382 -7.503 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.587 -5.659 -8.361 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -18.549 -9.082 -9.729 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -21.476 -7.100 -12.065 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -20.005 -9.164 -11.886 1.00 0.00 H new ATOM 247 N VAL A 18 -16.216 -6.009 -7.302 1.00 0.00 N ATOM 248 CA VAL A 18 -14.851 -5.565 -7.543 1.00 0.00 C ATOM 249 C VAL A 18 -13.848 -6.551 -6.954 1.00 0.00 C ATOM 250 O VAL A 18 -12.867 -6.913 -7.601 1.00 0.00 O ATOM 251 CB VAL A 18 -14.605 -4.164 -6.941 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.160 -3.732 -7.132 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.550 -3.145 -7.556 1.00 0.00 C ATOM 0 H VAL A 18 -16.778 -5.357 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.712 -5.514 -8.623 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.802 -4.219 -5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.016 -2.742 -6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.499 -4.444 -6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.928 -3.699 -8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.362 -2.164 -7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.386 -3.100 -8.633 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.581 -3.439 -7.358 1.00 0.00 H new ATOM 263 N LYS A 19 -14.111 -6.992 -5.729 1.00 0.00 N ATOM 264 CA LYS A 19 -13.234 -7.937 -5.050 1.00 0.00 C ATOM 265 C LYS A 19 -13.121 -9.237 -5.833 1.00 0.00 C ATOM 266 O LYS A 19 -12.026 -9.762 -6.027 1.00 0.00 O ATOM 267 CB LYS A 19 -13.754 -8.221 -3.641 1.00 0.00 C ATOM 268 CG LYS A 19 -12.754 -8.942 -2.755 1.00 0.00 C ATOM 269 CD LYS A 19 -13.445 -9.932 -1.836 1.00 0.00 C ATOM 270 CE LYS A 19 -12.483 -10.499 -0.807 1.00 0.00 C ATOM 271 NZ LYS A 19 -12.407 -11.980 -0.882 1.00 0.00 N ATOM 0 H LYS A 19 -14.926 -6.709 -5.185 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.242 -7.490 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.031 -7.278 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.661 -8.821 -3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.026 -9.465 -3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.201 -8.215 -2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.275 -9.441 -1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.868 -10.744 -2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.491 -10.076 -0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.802 -10.201 0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.529 -12.306 -0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.224 -12.395 -0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.415 -12.278 -1.878 1.00 0.00 H new ATOM 285 N GLU A 20 -14.259 -9.741 -6.290 1.00 0.00 N ATOM 286 CA GLU A 20 -14.295 -10.978 -7.054 1.00 0.00 C ATOM 287 C GLU A 20 -13.564 -10.811 -8.377 1.00 0.00 C ATOM 288 O GLU A 20 -12.804 -11.690 -8.795 1.00 0.00 O ATOM 289 CB GLU A 20 -15.743 -11.405 -7.297 1.00 0.00 C ATOM 290 CG GLU A 20 -15.916 -12.900 -7.507 1.00 0.00 C ATOM 291 CD GLU A 20 -16.859 -13.220 -8.645 1.00 0.00 C ATOM 292 OE1 GLU A 20 -17.958 -12.621 -8.710 1.00 0.00 O ATOM 293 OE2 GLU A 20 -16.513 -14.070 -9.486 1.00 0.00 O ATOM 0 H GLU A 20 -15.172 -9.310 -6.144 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.791 -11.755 -6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.351 -11.094 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -16.125 -10.878 -8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.944 -13.350 -7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.293 -13.351 -6.589 1.00 0.00 H new ATOM 300 N ALA A 21 -13.770 -9.670 -9.016 1.00 0.00 N ATOM 301 CA ALA A 21 -13.122 -9.388 -10.285 1.00 0.00 C ATOM 302 C ALA A 21 -11.616 -9.298 -10.093 1.00 0.00 C ATOM 303 O ALA A 21 -10.837 -9.715 -10.953 1.00 0.00 O ATOM 304 CB ALA A 21 -13.666 -8.102 -10.884 1.00 0.00 C ATOM 0 H ALA A 21 -14.380 -8.926 -8.677 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.335 -10.202 -10.978 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.170 -7.905 -11.834 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.739 -8.203 -11.048 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.480 -7.275 -10.199 1.00 0.00 H new ATOM 310 N LEU A 22 -11.219 -8.745 -8.956 1.00 0.00 N ATOM 311 CA LEU A 22 -9.813 -8.638 -8.601 1.00 0.00 C ATOM 312 C LEU A 22 -9.218 -10.012 -8.335 1.00 0.00 C ATOM 313 O LEU A 22 -8.161 -10.353 -8.860 1.00 0.00 O ATOM 314 CB LEU A 22 -9.630 -7.746 -7.374 1.00 0.00 C ATOM 315 CG LEU A 22 -9.500 -6.253 -7.672 1.00 0.00 C ATOM 316 CD1 LEU A 22 -9.706 -5.436 -6.405 1.00 0.00 C ATOM 317 CD2 LEU A 22 -8.141 -5.948 -8.285 1.00 0.00 C ATOM 0 H LEU A 22 -11.857 -8.361 -8.259 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.289 -8.186 -9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.478 -7.895 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.740 -8.072 -6.836 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.273 -5.978 -8.390 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.610 -4.375 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.701 -5.631 -6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.955 -5.716 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.066 -4.880 -8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.354 -6.240 -7.589 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.028 -6.505 -9.215 1.00 0.00 H new ATOM 329 N GLU A 23 -9.918 -10.802 -7.530 1.00 0.00 N ATOM 330 CA GLU A 23 -9.434 -12.118 -7.133 1.00 0.00 C ATOM 331 C GLU A 23 -9.466 -13.090 -8.305 1.00 0.00 C ATOM 332 O GLU A 23 -8.808 -14.129 -8.280 1.00 0.00 O ATOM 333 CB GLU A 23 -10.266 -12.661 -5.972 1.00 0.00 C ATOM 334 CG GLU A 23 -9.853 -12.103 -4.623 1.00 0.00 C ATOM 335 CD GLU A 23 -10.479 -12.849 -3.464 1.00 0.00 C ATOM 336 OE1 GLU A 23 -11.716 -12.791 -3.310 1.00 0.00 O ATOM 337 OE2 GLU A 23 -9.734 -13.497 -2.694 1.00 0.00 O ATOM 0 H GLU A 23 -10.826 -10.553 -7.138 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.399 -12.014 -6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.316 -12.428 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.180 -13.747 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.768 -12.147 -4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.135 -11.052 -4.568 1.00 0.00 H new ATOM 344 N LYS A 24 -10.242 -12.754 -9.328 1.00 0.00 N ATOM 345 CA LYS A 24 -10.293 -13.560 -10.539 1.00 0.00 C ATOM 346 C LYS A 24 -9.060 -13.316 -11.405 1.00 0.00 C ATOM 347 O LYS A 24 -8.795 -14.061 -12.352 1.00 0.00 O ATOM 348 CB LYS A 24 -11.564 -13.256 -11.333 1.00 0.00 C ATOM 349 CG LYS A 24 -12.647 -14.306 -11.155 1.00 0.00 C ATOM 350 CD LYS A 24 -13.877 -13.987 -11.986 1.00 0.00 C ATOM 351 CE LYS A 24 -14.795 -15.189 -12.098 1.00 0.00 C ATOM 352 NZ LYS A 24 -16.227 -14.813 -11.972 1.00 0.00 N ATOM 0 H LYS A 24 -10.843 -11.930 -9.342 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.306 -14.610 -10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.954 -12.286 -11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.314 -13.178 -12.391 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.258 -15.283 -11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.924 -14.369 -10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.418 -13.155 -11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.572 -13.666 -12.982 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.633 -15.680 -13.057 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.541 -15.912 -11.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.821 -15.571 -12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.462 -14.673 -10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.402 -13.931 -12.495 1.00 0.00 H new ATOM 366 N VAL A 25 -8.308 -12.273 -11.073 1.00 0.00 N ATOM 367 CA VAL A 25 -7.080 -11.956 -11.781 1.00 0.00 C ATOM 368 C VAL A 25 -5.914 -12.754 -11.189 1.00 0.00 C ATOM 369 O VAL A 25 -5.660 -12.703 -9.986 1.00 0.00 O ATOM 370 CB VAL A 25 -6.791 -10.431 -11.738 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.297 -10.130 -11.736 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.465 -9.740 -12.913 1.00 0.00 C ATOM 0 H VAL A 25 -8.532 -11.631 -10.313 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.198 -12.238 -12.827 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.201 -10.045 -10.805 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.143 -9.051 -11.705 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.835 -10.587 -10.861 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.843 -10.536 -12.640 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.257 -8.671 -12.875 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.080 -10.151 -13.846 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.542 -9.902 -12.862 1.00 0.00 H new ATOM 382 N PRO A 26 -5.201 -13.517 -12.035 1.00 0.00 N ATOM 383 CA PRO A 26 -4.095 -14.385 -11.599 1.00 0.00 C ATOM 384 C PRO A 26 -2.922 -13.601 -11.019 1.00 0.00 C ATOM 385 O PRO A 26 -2.100 -14.146 -10.281 1.00 0.00 O ATOM 386 CB PRO A 26 -3.664 -15.100 -12.886 1.00 0.00 C ATOM 387 CG PRO A 26 -4.803 -14.926 -13.832 1.00 0.00 C ATOM 388 CD PRO A 26 -5.425 -13.608 -13.484 1.00 0.00 C ATOM 0 HA PRO A 26 -4.410 -15.058 -10.802 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.748 -14.667 -13.289 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.463 -16.155 -12.702 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.458 -14.935 -14.866 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.524 -15.738 -13.730 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.953 -12.784 -14.019 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.486 -13.583 -13.732 1.00 0.00 H new ATOM 396 N GLY A 27 -2.851 -12.320 -11.356 1.00 0.00 N ATOM 397 CA GLY A 27 -1.773 -11.482 -10.869 1.00 0.00 C ATOM 398 C GLY A 27 -2.021 -10.982 -9.459 1.00 0.00 C ATOM 399 O GLY A 27 -1.153 -10.346 -8.860 1.00 0.00 O ATOM 0 H GLY A 27 -3.523 -11.845 -11.959 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.840 -12.045 -10.893 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.649 -10.630 -11.537 1.00 0.00 H new ATOM 403 N VAL A 28 -3.202 -11.270 -8.921 1.00 0.00 N ATOM 404 CA VAL A 28 -3.548 -10.836 -7.578 1.00 0.00 C ATOM 405 C VAL A 28 -3.041 -11.841 -6.547 1.00 0.00 C ATOM 406 O VAL A 28 -3.115 -13.056 -6.751 1.00 0.00 O ATOM 407 CB VAL A 28 -5.082 -10.608 -7.423 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.749 -11.687 -6.575 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.351 -9.230 -6.839 1.00 0.00 C ATOM 0 H VAL A 28 -3.932 -11.801 -9.396 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.059 -9.878 -7.402 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.521 -10.671 -8.419 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.817 -11.481 -6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.600 -12.661 -7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.308 -11.691 -5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.426 -9.082 -6.735 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.878 -9.151 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.942 -8.468 -7.502 1.00 0.00 H new ATOM 419 N GLN A 29 -2.489 -11.326 -5.462 1.00 0.00 N ATOM 420 CA GLN A 29 -2.048 -12.167 -4.364 1.00 0.00 C ATOM 421 C GLN A 29 -3.101 -12.157 -3.268 1.00 0.00 C ATOM 422 O GLN A 29 -3.450 -13.199 -2.711 1.00 0.00 O ATOM 423 CB GLN A 29 -0.704 -11.679 -3.819 1.00 0.00 C ATOM 424 CG GLN A 29 0.487 -12.486 -4.312 1.00 0.00 C ATOM 425 CD GLN A 29 0.495 -12.667 -5.818 1.00 0.00 C ATOM 426 OE1 GLN A 29 0.711 -11.583 -6.545 1.00 0.00 O flip ATOM 427 NE2 GLN A 29 0.320 -13.773 -6.324 1.00 0.00 N flip ATOM 0 H GLN A 29 -2.336 -10.328 -5.318 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.915 -13.187 -4.726 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.566 -10.635 -4.101 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.729 -11.715 -2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.408 -11.989 -4.006 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.479 -13.465 -3.833 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.156 -14.586 -5.730 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.338 -13.878 -7.338 1.00 0.00 H new ATOM 436 N SER A 30 -3.605 -10.967 -2.967 1.00 0.00 N ATOM 437 CA SER A 30 -4.672 -10.796 -1.989 1.00 0.00 C ATOM 438 C SER A 30 -5.424 -9.498 -2.270 1.00 0.00 C ATOM 439 O SER A 30 -4.809 -8.458 -2.476 1.00 0.00 O ATOM 440 CB SER A 30 -4.102 -10.775 -0.565 1.00 0.00 C ATOM 441 OG SER A 30 -3.398 -11.974 -0.275 1.00 0.00 O ATOM 0 H SER A 30 -3.287 -10.096 -3.392 1.00 0.00 H new ATOM 0 HA SER A 30 -5.360 -11.637 -2.071 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.434 -9.921 -0.451 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.913 -10.644 0.152 1.00 0.00 H new ATOM 0 HG SER A 30 -3.044 -11.933 0.638 1.00 0.00 H new ATOM 447 N ALA A 31 -6.744 -9.565 -2.302 1.00 0.00 N ATOM 448 CA ALA A 31 -7.562 -8.392 -2.564 1.00 0.00 C ATOM 449 C ALA A 31 -8.433 -8.061 -1.360 1.00 0.00 C ATOM 450 O ALA A 31 -9.559 -8.551 -1.241 1.00 0.00 O ATOM 451 CB ALA A 31 -8.420 -8.616 -3.799 1.00 0.00 C ATOM 0 H ALA A 31 -7.274 -10.423 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.902 -7.544 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.028 -7.731 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.777 -8.802 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.070 -9.476 -3.639 1.00 0.00 H new ATOM 457 N LEU A 32 -7.920 -7.223 -0.470 1.00 0.00 N ATOM 458 CA LEU A 32 -8.643 -6.872 0.741 1.00 0.00 C ATOM 459 C LEU A 32 -9.484 -5.626 0.510 1.00 0.00 C ATOM 460 O LEU A 32 -9.253 -4.572 1.112 1.00 0.00 O ATOM 461 CB LEU A 32 -7.677 -6.659 1.909 1.00 0.00 C ATOM 462 CG LEU A 32 -6.665 -7.786 2.129 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.302 -7.217 2.493 1.00 0.00 C ATOM 464 CD2 LEU A 32 -7.152 -8.735 3.215 1.00 0.00 C ATOM 0 H LEU A 32 -7.008 -6.775 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.306 -7.698 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.132 -5.729 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.258 -6.530 2.822 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.567 -8.346 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.596 -8.033 2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.947 -6.577 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.385 -6.633 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.420 -9.530 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.279 -8.186 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.106 -9.169 2.917 1.00 0.00 H new ATOM 476 N VAL A 33 -10.447 -5.751 -0.386 1.00 0.00 N ATOM 477 CA VAL A 33 -11.370 -4.664 -0.666 1.00 0.00 C ATOM 478 C VAL A 33 -12.273 -4.447 0.533 1.00 0.00 C ATOM 479 O VAL A 33 -13.091 -5.304 0.869 1.00 0.00 O ATOM 480 CB VAL A 33 -12.237 -4.945 -1.908 1.00 0.00 C ATOM 481 CG1 VAL A 33 -12.969 -3.687 -2.352 1.00 0.00 C ATOM 482 CG2 VAL A 33 -11.387 -5.498 -3.041 1.00 0.00 C ATOM 0 H VAL A 33 -10.611 -6.596 -0.933 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.777 -3.772 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.981 -5.695 -1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.575 -3.909 -3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.614 -3.337 -1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.244 -2.912 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.018 -5.690 -3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.617 -4.773 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.916 -6.428 -2.722 1.00 0.00 H new ATOM 492 N SER A 34 -12.114 -3.308 1.172 1.00 0.00 N ATOM 493 CA SER A 34 -12.826 -3.017 2.399 1.00 0.00 C ATOM 494 C SER A 34 -13.956 -2.028 2.146 1.00 0.00 C ATOM 495 O SER A 34 -13.728 -0.826 1.970 1.00 0.00 O ATOM 496 CB SER A 34 -11.851 -2.482 3.447 1.00 0.00 C ATOM 497 OG SER A 34 -10.672 -3.276 3.492 1.00 0.00 O ATOM 0 H SER A 34 -11.492 -2.562 0.859 1.00 0.00 H new ATOM 0 HA SER A 34 -13.273 -3.937 2.776 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.591 -1.449 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.329 -2.477 4.426 1.00 0.00 H new ATOM 0 HG SER A 34 -10.061 -2.916 4.168 1.00 0.00 H new ATOM 503 N TYR A 35 -15.174 -2.551 2.125 1.00 0.00 N ATOM 504 CA TYR A 35 -16.356 -1.757 1.890 1.00 0.00 C ATOM 505 C TYR A 35 -16.590 -0.684 2.976 1.00 0.00 C ATOM 506 O TYR A 35 -16.946 0.440 2.629 1.00 0.00 O ATOM 507 CB TYR A 35 -17.577 -2.665 1.666 1.00 0.00 C ATOM 508 CG TYR A 35 -18.276 -3.189 2.905 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.213 -2.412 3.573 1.00 0.00 C ATOM 510 CD2 TYR A 35 -17.984 -4.449 3.418 1.00 0.00 C ATOM 511 CE1 TYR A 35 -19.845 -2.875 4.708 1.00 0.00 C ATOM 512 CE2 TYR A 35 -18.616 -4.921 4.553 1.00 0.00 C ATOM 513 CZ TYR A 35 -19.575 -4.172 5.159 1.00 0.00 C ATOM 514 OH TYR A 35 -20.173 -4.593 6.326 1.00 0.00 O ATOM 0 H TYR A 35 -15.363 -3.542 2.272 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.195 -1.190 0.973 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.306 -2.113 1.072 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.260 -3.519 1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.451 -1.428 3.197 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.252 -5.068 2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -20.540 -2.244 5.242 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.348 -5.885 4.959 1.00 0.00 H new ATOM 0 HH TYR A 35 -19.899 -5.513 6.521 1.00 0.00 H new ATOM 524 N PRO A 36 -16.393 -0.972 4.292 1.00 0.00 N ATOM 525 CA PRO A 36 -16.604 0.043 5.335 1.00 0.00 C ATOM 526 C PRO A 36 -15.517 1.114 5.318 1.00 0.00 C ATOM 527 O PRO A 36 -15.648 2.166 5.943 1.00 0.00 O ATOM 528 CB PRO A 36 -16.546 -0.759 6.635 1.00 0.00 C ATOM 529 CG PRO A 36 -15.677 -1.923 6.315 1.00 0.00 C ATOM 530 CD PRO A 36 -15.944 -2.259 4.876 1.00 0.00 C ATOM 0 HA PRO A 36 -17.542 0.581 5.198 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -16.131 -0.165 7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.540 -1.079 6.949 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.626 -1.679 6.470 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.906 -2.770 6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.049 -2.633 4.379 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.708 -3.030 4.780 1.00 0.00 H new ATOM 538 N LYS A 37 -14.447 0.840 4.587 1.00 0.00 N ATOM 539 CA LYS A 37 -13.343 1.771 4.474 1.00 0.00 C ATOM 540 C LYS A 37 -13.492 2.597 3.204 1.00 0.00 C ATOM 541 O LYS A 37 -13.103 3.764 3.161 1.00 0.00 O ATOM 542 CB LYS A 37 -12.013 1.014 4.457 1.00 0.00 C ATOM 543 CG LYS A 37 -10.932 1.641 5.322 1.00 0.00 C ATOM 544 CD LYS A 37 -9.610 0.906 5.170 1.00 0.00 C ATOM 545 CE LYS A 37 -8.867 0.809 6.492 1.00 0.00 C ATOM 546 NZ LYS A 37 -7.461 1.274 6.374 1.00 0.00 N ATOM 0 H LYS A 37 -14.323 -0.026 4.062 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.353 2.439 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.185 -0.009 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.653 0.956 3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.803 2.687 5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.243 1.623 6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.793 -0.096 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.988 1.423 4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.384 1.405 7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.880 -0.224 6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.989 1.192 7.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.959 0.689 5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.449 2.267 6.066 1.00 0.00 H new ATOM 560 N GLY A 38 -14.079 1.984 2.183 1.00 0.00 N ATOM 561 CA GLY A 38 -14.229 2.639 0.902 1.00 0.00 C ATOM 562 C GLY A 38 -12.986 2.483 0.054 1.00 0.00 C ATOM 563 O GLY A 38 -12.826 3.155 -0.966 1.00 0.00 O ATOM 0 H GLY A 38 -14.456 1.037 2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.086 2.219 0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.436 3.698 1.055 1.00 0.00 H new ATOM 567 N THR A 39 -12.113 1.576 0.470 1.00 0.00 N ATOM 568 CA THR A 39 -10.837 1.397 -0.199 1.00 0.00 C ATOM 569 C THR A 39 -10.545 -0.077 -0.449 1.00 0.00 C ATOM 570 O THR A 39 -10.985 -0.951 0.300 1.00 0.00 O ATOM 571 CB THR A 39 -9.684 2.008 0.626 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.110 2.233 1.977 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.211 3.320 0.020 1.00 0.00 C ATOM 0 H THR A 39 -12.266 0.956 1.265 1.00 0.00 H new ATOM 0 HA THR A 39 -10.906 1.914 -1.156 1.00 0.00 H new ATOM 0 HB THR A 39 -8.854 1.301 0.616 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.372 2.619 2.493 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.399 3.727 0.622 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.857 3.145 -0.996 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.038 4.030 -0.001 1.00 0.00 H new ATOM 581 N ALA A 40 -9.801 -0.340 -1.508 1.00 0.00 N ATOM 582 CA ALA A 40 -9.402 -1.692 -1.851 1.00 0.00 C ATOM 583 C ALA A 40 -7.919 -1.886 -1.581 1.00 0.00 C ATOM 584 O ALA A 40 -7.073 -1.246 -2.213 1.00 0.00 O ATOM 585 CB ALA A 40 -9.719 -1.991 -3.310 1.00 0.00 C ATOM 0 H ALA A 40 -9.458 0.374 -2.151 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.965 -2.387 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.412 -3.010 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.791 -1.886 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.181 -1.292 -3.950 1.00 0.00 H new ATOM 591 N GLN A 41 -7.605 -2.757 -0.636 1.00 0.00 N ATOM 592 CA GLN A 41 -6.226 -3.045 -0.294 1.00 0.00 C ATOM 593 C GLN A 41 -5.790 -4.327 -0.986 1.00 0.00 C ATOM 594 O GLN A 41 -5.755 -5.399 -0.382 1.00 0.00 O ATOM 595 CB GLN A 41 -6.066 -3.170 1.224 1.00 0.00 C ATOM 596 CG GLN A 41 -5.179 -2.095 1.834 1.00 0.00 C ATOM 597 CD GLN A 41 -5.924 -0.802 2.111 1.00 0.00 C ATOM 598 OE1 GLN A 41 -6.854 -0.433 1.396 1.00 0.00 O ATOM 599 NE2 GLN A 41 -5.512 -0.100 3.151 1.00 0.00 N ATOM 0 H GLN A 41 -8.292 -3.278 -0.091 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.593 -2.225 -0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.050 -3.124 1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.648 -4.149 1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.751 -2.469 2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.347 -1.892 1.160 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.737 -0.439 3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.969 0.781 3.385 1.00 0.00 H new ATOM 608 N LEU A 42 -5.486 -4.217 -2.264 1.00 0.00 N ATOM 609 CA LEU A 42 -5.120 -5.378 -3.048 1.00 0.00 C ATOM 610 C LEU A 42 -3.616 -5.420 -3.300 1.00 0.00 C ATOM 611 O LEU A 42 -2.995 -4.422 -3.662 1.00 0.00 O ATOM 612 CB LEU A 42 -5.945 -5.461 -4.362 1.00 0.00 C ATOM 613 CG LEU A 42 -5.649 -4.455 -5.503 1.00 0.00 C ATOM 614 CD1 LEU A 42 -5.419 -3.035 -4.996 1.00 0.00 C ATOM 615 CD2 LEU A 42 -4.474 -4.926 -6.347 1.00 0.00 C ATOM 0 H LEU A 42 -5.485 -3.337 -2.780 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.369 -6.267 -2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.817 -6.465 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.997 -5.356 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.541 -4.421 -6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.216 -2.376 -5.840 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.308 -2.688 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.568 -3.025 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.284 -4.204 -7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.588 -5.015 -5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.707 -5.896 -6.786 1.00 0.00 H new ATOM 627 N ALA A 43 -3.038 -6.584 -3.068 1.00 0.00 N ATOM 628 CA ALA A 43 -1.628 -6.806 -3.309 1.00 0.00 C ATOM 629 C ALA A 43 -1.452 -7.625 -4.576 1.00 0.00 C ATOM 630 O ALA A 43 -1.857 -8.789 -4.633 1.00 0.00 O ATOM 631 CB ALA A 43 -0.990 -7.511 -2.120 1.00 0.00 C ATOM 0 H ALA A 43 -3.533 -7.400 -2.708 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.131 -5.845 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.070 -7.670 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.104 -6.895 -1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.478 -8.473 -1.962 1.00 0.00 H new ATOM 637 N ILE A 44 -0.880 -7.006 -5.594 1.00 0.00 N ATOM 638 CA ILE A 44 -0.680 -7.666 -6.876 1.00 0.00 C ATOM 639 C ILE A 44 0.778 -8.059 -7.068 1.00 0.00 C ATOM 640 O ILE A 44 1.643 -7.704 -6.262 1.00 0.00 O ATOM 641 CB ILE A 44 -1.113 -6.773 -8.058 1.00 0.00 C ATOM 642 CG1 ILE A 44 -1.012 -5.288 -7.691 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.527 -7.124 -8.495 1.00 0.00 C ATOM 644 CD1 ILE A 44 0.134 -4.575 -8.377 1.00 0.00 C ATOM 0 H ILE A 44 -0.544 -6.044 -5.559 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.304 -8.560 -6.863 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.436 -6.958 -8.892 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.947 -4.792 -7.953 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.893 -5.196 -6.611 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.819 -6.486 -9.329 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.563 -8.168 -8.806 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.214 -6.970 -7.663 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.146 -3.529 -8.072 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.076 -5.046 -8.096 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.006 -4.637 -9.458 1.00 0.00 H new ATOM 656 N VAL A 45 1.039 -8.798 -8.133 1.00 0.00 N ATOM 657 CA VAL A 45 2.386 -9.224 -8.462 1.00 0.00 C ATOM 658 C VAL A 45 3.132 -8.097 -9.184 1.00 0.00 C ATOM 659 O VAL A 45 2.524 -7.319 -9.923 1.00 0.00 O ATOM 660 CB VAL A 45 2.349 -10.516 -9.328 1.00 0.00 C ATOM 661 CG1 VAL A 45 2.472 -10.217 -10.817 1.00 0.00 C ATOM 662 CG2 VAL A 45 3.425 -11.494 -8.884 1.00 0.00 C ATOM 0 H VAL A 45 0.327 -9.117 -8.790 1.00 0.00 H new ATOM 0 HA VAL A 45 2.922 -9.453 -7.541 1.00 0.00 H new ATOM 0 HB VAL A 45 1.373 -10.977 -9.174 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.441 -11.150 -11.379 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.646 -9.578 -11.129 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.417 -9.709 -11.009 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.380 -12.390 -9.503 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.405 -11.029 -8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.262 -11.765 -7.841 1.00 0.00 H new ATOM 672 N PRO A 46 4.446 -7.965 -8.938 1.00 0.00 N ATOM 673 CA PRO A 46 5.280 -6.969 -9.618 1.00 0.00 C ATOM 674 C PRO A 46 5.224 -7.128 -11.133 1.00 0.00 C ATOM 675 O PRO A 46 5.845 -8.027 -11.699 1.00 0.00 O ATOM 676 CB PRO A 46 6.696 -7.252 -9.096 1.00 0.00 C ATOM 677 CG PRO A 46 6.626 -8.608 -8.476 1.00 0.00 C ATOM 678 CD PRO A 46 5.221 -8.758 -7.975 1.00 0.00 C ATOM 0 HA PRO A 46 4.947 -5.951 -9.418 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.425 -7.227 -9.906 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.003 -6.502 -8.367 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.866 -9.383 -9.204 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.344 -8.703 -7.661 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.905 -9.801 -7.963 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.111 -8.380 -6.959 1.00 0.00 H new ATOM 686 N GLY A 47 4.467 -6.261 -11.780 1.00 0.00 N ATOM 687 CA GLY A 47 4.280 -6.359 -13.210 1.00 0.00 C ATOM 688 C GLY A 47 2.875 -5.971 -13.607 1.00 0.00 C ATOM 689 O GLY A 47 2.653 -5.426 -14.686 1.00 0.00 O ATOM 0 H GLY A 47 3.975 -5.485 -11.337 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.996 -5.712 -13.718 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.484 -7.379 -13.537 1.00 0.00 H new ATOM 693 N THR A 48 1.921 -6.250 -12.732 1.00 0.00 N ATOM 694 CA THR A 48 0.544 -5.842 -12.960 1.00 0.00 C ATOM 695 C THR A 48 0.396 -4.350 -12.717 1.00 0.00 C ATOM 696 O THR A 48 0.731 -3.849 -11.644 1.00 0.00 O ATOM 697 CB THR A 48 -0.424 -6.616 -12.051 1.00 0.00 C ATOM 698 OG1 THR A 48 0.080 -7.940 -11.827 1.00 0.00 O ATOM 699 CG2 THR A 48 -1.813 -6.692 -12.671 1.00 0.00 C ATOM 0 H THR A 48 2.075 -6.756 -11.860 1.00 0.00 H new ATOM 0 HA THR A 48 0.293 -6.068 -13.996 1.00 0.00 H new ATOM 0 HB THR A 48 -0.502 -6.087 -11.101 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.538 -8.431 -11.246 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.478 -7.245 -12.007 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.202 -5.684 -12.817 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.755 -7.201 -13.633 1.00 0.00 H new ATOM 707 N SER A 49 -0.084 -3.642 -13.723 1.00 0.00 N ATOM 708 CA SER A 49 -0.202 -2.206 -13.640 1.00 0.00 C ATOM 709 C SER A 49 -1.375 -1.815 -12.750 1.00 0.00 C ATOM 710 O SER A 49 -2.494 -2.284 -12.948 1.00 0.00 O ATOM 711 CB SER A 49 -0.377 -1.617 -15.039 1.00 0.00 C ATOM 712 OG SER A 49 -0.245 -2.622 -16.033 1.00 0.00 O ATOM 0 H SER A 49 -0.398 -4.043 -14.607 1.00 0.00 H new ATOM 0 HA SER A 49 0.710 -1.805 -13.198 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.357 -1.147 -15.120 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.366 -0.837 -15.205 1.00 0.00 H new ATOM 0 HG SER A 49 -0.362 -2.222 -16.920 1.00 0.00 H new ATOM 718 N PRO A 50 -1.139 -0.959 -11.750 1.00 0.00 N ATOM 719 CA PRO A 50 -2.198 -0.494 -10.859 1.00 0.00 C ATOM 720 C PRO A 50 -3.237 0.341 -11.591 1.00 0.00 C ATOM 721 O PRO A 50 -4.392 0.409 -11.174 1.00 0.00 O ATOM 722 CB PRO A 50 -1.463 0.343 -9.808 1.00 0.00 C ATOM 723 CG PRO A 50 -0.167 0.717 -10.445 1.00 0.00 C ATOM 724 CD PRO A 50 0.177 -0.401 -11.390 1.00 0.00 C ATOM 0 HA PRO A 50 -2.756 -1.324 -10.426 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.038 1.228 -9.536 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.302 -0.226 -8.893 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.255 1.664 -10.978 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.613 0.845 -9.694 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.712 -0.036 -12.267 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.814 -1.147 -10.915 1.00 0.00 H new ATOM 732 N ASP A 51 -2.824 0.934 -12.704 1.00 0.00 N ATOM 733 CA ASP A 51 -3.720 1.710 -13.550 1.00 0.00 C ATOM 734 C ASP A 51 -4.697 0.771 -14.229 1.00 0.00 C ATOM 735 O ASP A 51 -5.813 1.153 -14.595 1.00 0.00 O ATOM 736 CB ASP A 51 -2.910 2.483 -14.595 1.00 0.00 C ATOM 737 CG ASP A 51 -3.696 2.813 -15.853 1.00 0.00 C ATOM 738 OD1 ASP A 51 -4.344 3.880 -15.896 1.00 0.00 O ATOM 739 OD2 ASP A 51 -3.649 2.015 -16.816 1.00 0.00 O ATOM 0 H ASP A 51 -1.863 0.891 -13.044 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.273 2.426 -12.942 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.548 3.410 -14.149 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.032 1.897 -14.868 1.00 0.00 H new ATOM 744 N ALA A 52 -4.273 -0.478 -14.353 1.00 0.00 N ATOM 745 CA ALA A 52 -5.067 -1.481 -15.033 1.00 0.00 C ATOM 746 C ALA A 52 -6.217 -1.917 -14.145 1.00 0.00 C ATOM 747 O ALA A 52 -7.288 -2.267 -14.626 1.00 0.00 O ATOM 748 CB ALA A 52 -4.215 -2.676 -15.443 1.00 0.00 C ATOM 0 H ALA A 52 -3.382 -0.818 -13.990 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.472 -1.041 -15.944 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.840 -3.411 -15.951 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.424 -2.345 -16.116 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.771 -3.128 -14.556 1.00 0.00 H new ATOM 754 N LEU A 53 -5.988 -1.866 -12.842 1.00 0.00 N ATOM 755 CA LEU A 53 -7.020 -2.191 -11.871 1.00 0.00 C ATOM 756 C LEU A 53 -8.061 -1.084 -11.851 1.00 0.00 C ATOM 757 O LEU A 53 -9.265 -1.344 -11.878 1.00 0.00 O ATOM 758 CB LEU A 53 -6.410 -2.373 -10.481 1.00 0.00 C ATOM 759 CG LEU A 53 -5.078 -3.122 -10.454 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.293 -2.767 -9.204 1.00 0.00 C ATOM 761 CD2 LEU A 53 -5.306 -4.623 -10.530 1.00 0.00 C ATOM 0 H LEU A 53 -5.092 -1.601 -12.432 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.497 -3.128 -12.157 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.266 -1.390 -10.032 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.124 -2.908 -9.855 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.497 -2.818 -11.325 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.348 -3.310 -9.202 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.096 -1.695 -9.190 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.871 -3.041 -8.321 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.346 -5.138 -10.509 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.908 -4.943 -9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.828 -4.865 -11.456 1.00 0.00 H new ATOM 773 N THR A 54 -7.581 0.154 -11.826 1.00 0.00 N ATOM 774 CA THR A 54 -8.450 1.315 -11.883 1.00 0.00 C ATOM 775 C THR A 54 -9.325 1.267 -13.128 1.00 0.00 C ATOM 776 O THR A 54 -10.547 1.413 -13.051 1.00 0.00 O ATOM 777 CB THR A 54 -7.620 2.613 -11.893 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.296 2.344 -11.413 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.267 3.685 -11.033 1.00 0.00 C ATOM 0 H THR A 54 -6.587 0.376 -11.766 1.00 0.00 H new ATOM 0 HA THR A 54 -9.085 1.303 -10.997 1.00 0.00 H new ATOM 0 HB THR A 54 -7.573 2.980 -12.918 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.770 3.171 -11.422 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.659 4.589 -11.060 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.263 3.907 -11.416 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.344 3.330 -10.005 1.00 0.00 H new ATOM 787 N ALA A 55 -8.688 1.035 -14.269 1.00 0.00 N ATOM 788 CA ALA A 55 -9.393 0.951 -15.538 1.00 0.00 C ATOM 789 C ALA A 55 -10.312 -0.259 -15.577 1.00 0.00 C ATOM 790 O ALA A 55 -11.363 -0.227 -16.212 1.00 0.00 O ATOM 791 CB ALA A 55 -8.406 0.908 -16.694 1.00 0.00 C ATOM 0 H ALA A 55 -7.679 0.901 -14.339 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.010 1.844 -15.639 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.951 0.845 -17.636 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.797 1.812 -16.687 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.761 0.036 -16.589 1.00 0.00 H new ATOM 797 N ALA A 56 -9.914 -1.329 -14.908 1.00 0.00 N ATOM 798 CA ALA A 56 -10.741 -2.523 -14.838 1.00 0.00 C ATOM 799 C ALA A 56 -12.030 -2.243 -14.081 1.00 0.00 C ATOM 800 O ALA A 56 -13.110 -2.629 -14.522 1.00 0.00 O ATOM 801 CB ALA A 56 -9.987 -3.672 -14.191 1.00 0.00 C ATOM 0 H ALA A 56 -9.028 -1.396 -14.408 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.994 -2.813 -15.858 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.629 -4.552 -14.152 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.096 -3.899 -14.777 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.694 -3.391 -13.179 1.00 0.00 H new ATOM 807 N VAL A 57 -11.919 -1.559 -12.946 1.00 0.00 N ATOM 808 CA VAL A 57 -13.097 -1.222 -12.159 1.00 0.00 C ATOM 809 C VAL A 57 -13.940 -0.169 -12.875 1.00 0.00 C ATOM 810 O VAL A 57 -15.164 -0.287 -12.948 1.00 0.00 O ATOM 811 CB VAL A 57 -12.727 -0.718 -10.751 1.00 0.00 C ATOM 812 CG1 VAL A 57 -13.978 -0.464 -9.922 1.00 0.00 C ATOM 813 CG2 VAL A 57 -11.815 -1.710 -10.045 1.00 0.00 C ATOM 0 H VAL A 57 -11.036 -1.231 -12.555 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.677 -2.138 -12.048 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.190 0.224 -10.861 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.692 -0.109 -8.932 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.594 0.289 -10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.545 -1.390 -9.826 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.567 -1.333 -9.053 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.324 -2.670 -9.952 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.900 -1.839 -10.624 1.00 0.00 H new ATOM 823 N ALA A 58 -13.279 0.852 -13.423 1.00 0.00 N ATOM 824 CA ALA A 58 -13.976 1.911 -14.144 1.00 0.00 C ATOM 825 C ALA A 58 -14.641 1.377 -15.407 1.00 0.00 C ATOM 826 O ALA A 58 -15.674 1.886 -15.840 1.00 0.00 O ATOM 827 CB ALA A 58 -13.016 3.041 -14.485 1.00 0.00 C ATOM 0 H ALA A 58 -12.266 0.965 -13.380 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.759 2.300 -13.493 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.551 3.823 -15.023 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.598 3.453 -13.566 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.210 2.657 -15.110 1.00 0.00 H new ATOM 833 N GLY A 59 -14.053 0.338 -15.984 1.00 0.00 N ATOM 834 CA GLY A 59 -14.603 -0.263 -17.183 1.00 0.00 C ATOM 835 C GLY A 59 -15.645 -1.322 -16.874 1.00 0.00 C ATOM 836 O GLY A 59 -16.250 -1.894 -17.782 1.00 0.00 O ATOM 0 H GLY A 59 -13.199 -0.102 -15.640 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.051 0.514 -17.803 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.797 -0.709 -17.765 1.00 0.00 H new ATOM 840 N LEU A 60 -15.862 -1.581 -15.591 1.00 0.00 N ATOM 841 CA LEU A 60 -16.825 -2.587 -15.168 1.00 0.00 C ATOM 842 C LEU A 60 -18.151 -1.941 -14.797 1.00 0.00 C ATOM 843 O LEU A 60 -18.995 -2.550 -14.136 1.00 0.00 O ATOM 844 CB LEU A 60 -16.278 -3.375 -13.980 1.00 0.00 C ATOM 845 CG LEU A 60 -15.762 -4.780 -14.307 1.00 0.00 C ATOM 846 CD1 LEU A 60 -15.162 -5.425 -13.069 1.00 0.00 C ATOM 847 CD2 LEU A 60 -16.877 -5.647 -14.872 1.00 0.00 C ATOM 0 H LEU A 60 -15.383 -1.107 -14.825 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.994 -3.270 -16.001 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.467 -2.804 -13.529 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.063 -3.460 -13.229 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.983 -4.691 -15.065 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.800 -6.423 -13.318 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.332 -4.817 -12.708 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.923 -5.498 -12.292 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.487 -6.640 -15.097 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.680 -5.730 -14.140 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.263 -5.194 -15.785 1.00 0.00 H new ATOM 859 N GLY A 61 -18.323 -0.701 -15.217 1.00 0.00 N ATOM 860 CA GLY A 61 -19.556 0.012 -14.950 1.00 0.00 C ATOM 861 C GLY A 61 -19.502 0.757 -13.635 1.00 0.00 C ATOM 862 O GLY A 61 -20.449 1.443 -13.257 1.00 0.00 O ATOM 0 H GLY A 61 -17.628 -0.170 -15.742 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.751 0.716 -15.759 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.387 -0.693 -14.934 1.00 0.00 H new ATOM 866 N TYR A 62 -18.392 0.606 -12.935 1.00 0.00 N ATOM 867 CA TYR A 62 -18.178 1.290 -11.679 1.00 0.00 C ATOM 868 C TYR A 62 -17.133 2.377 -11.871 1.00 0.00 C ATOM 869 O TYR A 62 -16.743 2.672 -13.001 1.00 0.00 O ATOM 870 CB TYR A 62 -17.723 0.297 -10.607 1.00 0.00 C ATOM 871 CG TYR A 62 -18.685 -0.849 -10.379 1.00 0.00 C ATOM 872 CD1 TYR A 62 -20.044 -0.614 -10.200 1.00 0.00 C ATOM 873 CD2 TYR A 62 -18.239 -2.165 -10.353 1.00 0.00 C ATOM 874 CE1 TYR A 62 -20.928 -1.656 -9.994 1.00 0.00 C ATOM 875 CE2 TYR A 62 -19.116 -3.212 -10.148 1.00 0.00 C ATOM 876 CZ TYR A 62 -20.447 -2.959 -9.947 1.00 0.00 C ATOM 877 OH TYR A 62 -21.337 -3.996 -9.767 1.00 0.00 O ATOM 0 H TYR A 62 -17.618 0.007 -13.223 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.113 1.744 -11.350 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.752 -0.109 -10.891 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -17.582 0.832 -9.668 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.415 0.400 -10.222 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.189 -2.372 -10.496 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.983 -1.460 -9.871 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.753 -4.229 -10.146 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.843 -4.831 -9.629 1.00 0.00 H new ATOM 887 N LYS A 63 -16.681 2.976 -10.784 1.00 0.00 N ATOM 888 CA LYS A 63 -15.637 3.975 -10.864 1.00 0.00 C ATOM 889 C LYS A 63 -14.562 3.680 -9.835 1.00 0.00 C ATOM 890 O LYS A 63 -14.859 3.437 -8.666 1.00 0.00 O ATOM 891 CB LYS A 63 -16.212 5.375 -10.646 1.00 0.00 C ATOM 892 CG LYS A 63 -15.557 6.442 -11.506 1.00 0.00 C ATOM 893 CD LYS A 63 -14.805 7.452 -10.658 1.00 0.00 C ATOM 894 CE LYS A 63 -13.355 7.576 -11.095 1.00 0.00 C ATOM 895 NZ LYS A 63 -13.124 8.788 -11.921 1.00 0.00 N ATOM 0 H LYS A 63 -17.020 2.788 -9.841 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.195 3.940 -11.860 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.281 5.356 -10.857 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.098 5.646 -9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.870 5.973 -12.210 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.318 6.954 -12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.292 8.424 -10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.846 7.152 -9.611 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.713 7.609 -10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.071 6.690 -11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.123 8.834 -12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.717 8.745 -12.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.370 9.635 -11.371 1.00 0.00 H new ATOM 909 N ALA A 64 -13.321 3.658 -10.276 1.00 0.00 N ATOM 910 CA ALA A 64 -12.213 3.448 -9.366 1.00 0.00 C ATOM 911 C ALA A 64 -11.288 4.653 -9.340 1.00 0.00 C ATOM 912 O ALA A 64 -11.044 5.286 -10.367 1.00 0.00 O ATOM 913 CB ALA A 64 -11.435 2.202 -9.751 1.00 0.00 C ATOM 0 H ALA A 64 -13.055 3.782 -11.253 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.625 3.312 -8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.607 2.061 -9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.094 1.335 -9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.045 2.315 -10.762 1.00 0.00 H new ATOM 919 N THR A 65 -10.802 4.975 -8.159 1.00 0.00 N ATOM 920 CA THR A 65 -9.767 5.977 -8.000 1.00 0.00 C ATOM 921 C THR A 65 -8.537 5.316 -7.388 1.00 0.00 C ATOM 922 O THR A 65 -8.444 4.087 -7.373 1.00 0.00 O ATOM 923 CB THR A 65 -10.246 7.141 -7.111 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.561 6.866 -6.614 1.00 0.00 O ATOM 925 CG2 THR A 65 -10.258 8.447 -7.888 1.00 0.00 C ATOM 0 H THR A 65 -11.112 4.551 -7.284 1.00 0.00 H new ATOM 0 HA THR A 65 -9.522 6.393 -8.977 1.00 0.00 H new ATOM 0 HB THR A 65 -9.553 7.240 -6.276 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.923 7.669 -6.184 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.600 9.253 -7.239 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.251 8.669 -8.243 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.932 8.357 -8.740 1.00 0.00 H new ATOM 933 N LEU A 66 -7.612 6.096 -6.855 1.00 0.00 N ATOM 934 CA LEU A 66 -6.401 5.522 -6.295 1.00 0.00 C ATOM 935 C LEU A 66 -5.821 6.404 -5.205 1.00 0.00 C ATOM 936 O LEU A 66 -5.709 7.624 -5.357 1.00 0.00 O ATOM 937 CB LEU A 66 -5.355 5.284 -7.391 1.00 0.00 C ATOM 938 CG LEU A 66 -4.985 6.513 -8.228 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.505 6.829 -8.083 1.00 0.00 C ATOM 940 CD2 LEU A 66 -5.341 6.288 -9.690 1.00 0.00 C ATOM 0 H LEU A 66 -7.674 7.113 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.670 4.564 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.449 4.897 -6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.726 4.508 -8.061 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.557 7.365 -7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.259 7.705 -8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.277 7.032 -7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.916 5.978 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.072 7.171 -10.270 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.795 5.424 -10.069 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.412 6.108 -9.780 1.00 0.00 H new ATOM 952 N ALA A 67 -5.482 5.766 -4.098 1.00 0.00 N ATOM 953 CA ALA A 67 -4.824 6.429 -2.984 1.00 0.00 C ATOM 954 C ALA A 67 -3.617 5.607 -2.552 1.00 0.00 C ATOM 955 O ALA A 67 -3.608 5.009 -1.474 1.00 0.00 O ATOM 956 CB ALA A 67 -5.799 6.621 -1.827 1.00 0.00 C ATOM 0 H ALA A 67 -5.655 4.772 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.484 7.416 -3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.290 7.119 -1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.639 7.232 -2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.165 5.650 -1.495 1.00 0.00 H new