USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 440 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 8 LYS NZ :NH3+ 162:sc= 0.817 (180deg=0) USER MOD Set 1.2: A 10 GLN : amide:sc= 1.83 K(o=2.7,f=-2.7) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl 163:sc= -0.336 (180deg=-0.793) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 160:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 158:sc= 0.203 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0686 USER MOD Single : A 61 THR OG1 : rot -130:sc= -0.0333 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 150:sc= -0.041 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -6.492 -5.798 -13.512 1.00 0.00 N ATOM 14 CA LEU A 7 -5.630 -5.640 -12.342 1.00 0.00 C ATOM 15 C LEU A 7 -4.167 -5.934 -12.689 1.00 0.00 C ATOM 16 O LEU A 7 -3.853 -6.934 -13.340 1.00 0.00 O ATOM 17 CB LEU A 7 -6.134 -6.409 -11.101 1.00 0.00 C ATOM 18 CG LEU A 7 -6.528 -7.889 -11.292 1.00 0.00 C ATOM 19 CD1 LEU A 7 -6.336 -8.659 -9.976 1.00 0.00 C ATOM 20 CD2 LEU A 7 -7.999 -8.027 -11.713 1.00 0.00 C ATOM 0 HA LEU A 7 -5.681 -4.592 -12.048 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.357 -6.364 -10.338 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.000 -5.879 -10.705 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.888 -8.297 -12.075 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.617 -9.702 -10.121 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.291 -8.603 -9.671 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.964 -8.218 -9.202 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.244 -9.082 -11.839 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.640 -7.595 -10.944 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.159 -7.502 -12.655 1.00 0.00 H new ATOM 31 N LYS A 8 -3.287 -5.046 -12.236 1.00 0.00 N ATOM 32 CA LYS A 8 -1.839 -5.040 -12.491 1.00 0.00 C ATOM 33 C LYS A 8 -1.033 -4.800 -11.202 1.00 0.00 C ATOM 34 O LYS A 8 -1.527 -4.136 -10.291 1.00 0.00 O ATOM 35 CB LYS A 8 -1.491 -3.962 -13.542 1.00 0.00 C ATOM 36 CG LYS A 8 -2.004 -2.548 -13.186 1.00 0.00 C ATOM 37 CD LYS A 8 -1.234 -1.416 -13.884 1.00 0.00 C ATOM 38 CE LYS A 8 0.170 -1.247 -13.282 1.00 0.00 C ATOM 39 NZ LYS A 8 0.847 -0.029 -13.783 1.00 0.00 N ATOM 0 H LYS A 8 -3.576 -4.265 -11.647 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.566 -6.023 -12.874 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.409 -3.924 -13.664 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.910 -4.258 -14.504 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.058 -2.476 -13.453 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.938 -2.408 -12.107 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.152 -1.631 -14.949 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.788 -0.482 -13.789 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.095 -1.199 -12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.774 -2.122 -13.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.635 0.216 -13.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.214 -0.205 -14.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.168 0.758 -13.812 1.00 0.00 H new ATOM 49 N THR A 9 0.210 -5.297 -11.143 1.00 0.00 N ATOM 50 CA THR A 9 1.162 -5.019 -10.049 1.00 0.00 C ATOM 51 C THR A 9 1.807 -3.641 -10.209 1.00 0.00 C ATOM 52 O THR A 9 1.845 -3.097 -11.315 1.00 0.00 O ATOM 53 CB THR A 9 2.194 -6.147 -9.926 1.00 0.00 C ATOM 54 OG1 THR A 9 2.712 -6.105 -8.620 1.00 0.00 O ATOM 55 CG2 THR A 9 3.354 -6.043 -10.920 1.00 0.00 C ATOM 0 H THR A 9 0.592 -5.912 -11.862 1.00 0.00 H new ATOM 0 HA THR A 9 0.610 -4.991 -9.110 1.00 0.00 H new ATOM 0 HB THR A 9 1.684 -7.084 -10.151 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.376 -6.817 -8.508 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.039 -6.877 -10.768 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.965 -6.074 -11.938 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.885 -5.104 -10.763 1.00 0.00 H new ATOM 63 N GLN A 10 2.343 -3.095 -9.119 1.00 0.00 N ATOM 64 CA GLN A 10 2.956 -1.766 -9.029 1.00 0.00 C ATOM 65 C GLN A 10 3.739 -1.661 -7.706 1.00 0.00 C ATOM 66 O GLN A 10 3.276 -2.155 -6.675 1.00 0.00 O ATOM 67 CB GLN A 10 1.847 -0.690 -9.106 1.00 0.00 C ATOM 68 CG GLN A 10 2.349 0.737 -9.397 1.00 0.00 C ATOM 69 CD GLN A 10 2.719 0.998 -10.863 1.00 0.00 C ATOM 70 OE1 GLN A 10 2.847 0.103 -11.691 1.00 0.00 O ATOM 71 NE2 GLN A 10 2.881 2.238 -11.261 1.00 0.00 N ATOM 0 H GLN A 10 2.364 -3.591 -8.228 1.00 0.00 H new ATOM 0 HA GLN A 10 3.649 -1.608 -9.855 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.137 -0.975 -9.882 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.302 -0.683 -8.162 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.578 1.447 -9.099 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.222 0.935 -8.775 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.781 3.004 -10.595 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.107 2.435 -12.236 1.00 0.00 H new ATOM 78 N GLN A 11 4.912 -1.021 -7.714 1.00 0.00 N ATOM 79 CA GLN A 11 5.723 -0.748 -6.518 1.00 0.00 C ATOM 80 C GLN A 11 5.483 0.680 -5.990 1.00 0.00 C ATOM 81 O GLN A 11 5.325 1.629 -6.762 1.00 0.00 O ATOM 82 CB GLN A 11 7.203 -1.026 -6.836 1.00 0.00 C ATOM 83 CG GLN A 11 8.115 -0.833 -5.611 1.00 0.00 C ATOM 84 CD GLN A 11 9.537 -1.333 -5.837 1.00 0.00 C ATOM 85 OE1 GLN A 11 9.947 -2.354 -5.296 1.00 0.00 O ATOM 86 NE2 GLN A 11 10.335 -0.647 -6.623 1.00 0.00 N ATOM 0 H GLN A 11 5.337 -0.669 -8.572 1.00 0.00 H new ATOM 0 HA GLN A 11 5.420 -1.415 -5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.307 -2.046 -7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.530 -0.363 -7.637 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.146 0.225 -5.352 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.683 -1.357 -4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.998 0.203 -7.075 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.291 -0.964 -6.781 1.00 0.00 H new ATOM 93 N MET A 12 5.485 0.842 -4.663 1.00 0.00 N ATOM 94 CA MET A 12 5.036 2.027 -3.929 1.00 0.00 C ATOM 95 C MET A 12 6.030 2.364 -2.806 1.00 0.00 C ATOM 96 O MET A 12 6.740 1.494 -2.288 1.00 0.00 O ATOM 97 CB MET A 12 3.616 1.726 -3.408 1.00 0.00 C ATOM 98 CG MET A 12 3.024 2.762 -2.443 1.00 0.00 C ATOM 99 SD MET A 12 1.313 2.414 -1.963 1.00 0.00 S ATOM 100 CE MET A 12 0.457 3.124 -3.391 1.00 0.00 C ATOM 0 H MET A 12 5.819 0.108 -4.038 1.00 0.00 H new ATOM 0 HA MET A 12 4.999 2.910 -4.567 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.948 1.632 -4.264 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.631 0.758 -2.907 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.642 2.805 -1.546 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.069 3.747 -2.909 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.565 2.747 -3.427 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.440 4.210 -3.302 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.980 2.843 -4.305 1.00 0.00 H new ATOM 108 N GLN A 13 6.097 3.642 -2.449 1.00 0.00 N ATOM 109 CA GLN A 13 6.901 4.181 -1.356 1.00 0.00 C ATOM 110 C GLN A 13 6.003 4.446 -0.139 1.00 0.00 C ATOM 111 O GLN A 13 4.838 4.804 -0.305 1.00 0.00 O ATOM 112 CB GLN A 13 7.553 5.500 -1.812 1.00 0.00 C ATOM 113 CG GLN A 13 8.570 5.300 -2.946 1.00 0.00 C ATOM 114 CD GLN A 13 9.092 6.608 -3.543 1.00 0.00 C ATOM 115 OE1 GLN A 13 9.058 7.685 -2.956 1.00 0.00 O ATOM 116 NE2 GLN A 13 9.626 6.558 -4.741 1.00 0.00 N ATOM 0 H GLN A 13 5.568 4.365 -2.936 1.00 0.00 H new ATOM 0 HA GLN A 13 7.675 3.464 -1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.776 6.188 -2.144 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.050 5.967 -0.962 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.413 4.722 -2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.107 4.709 -3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.664 5.673 -5.246 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.003 7.405 -5.167 1.00 0.00 H new ATOM 123 N VAL A 14 6.547 4.322 1.074 1.00 0.00 N ATOM 124 CA VAL A 14 5.829 4.518 2.346 1.00 0.00 C ATOM 125 C VAL A 14 6.799 5.003 3.425 1.00 0.00 C ATOM 126 O VAL A 14 7.839 4.393 3.647 1.00 0.00 O ATOM 127 CB VAL A 14 5.039 3.254 2.789 1.00 0.00 C ATOM 128 CG1 VAL A 14 5.869 1.957 2.782 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.385 3.421 4.173 1.00 0.00 C ATOM 0 H VAL A 14 7.528 4.075 1.207 1.00 0.00 H new ATOM 0 HA VAL A 14 5.076 5.290 2.190 1.00 0.00 H new ATOM 0 HB VAL A 14 4.263 3.156 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.244 1.124 3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.238 1.767 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.713 2.062 3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.846 2.510 4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.156 3.612 4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.689 4.259 4.148 1.00 0.00 H new ATOM 139 N GLY A 15 6.442 6.110 4.086 1.00 0.00 N ATOM 140 CA GLY A 15 7.199 6.729 5.178 1.00 0.00 C ATOM 141 C GLY A 15 6.484 6.527 6.506 1.00 0.00 C ATOM 142 O GLY A 15 5.394 7.061 6.714 1.00 0.00 O ATOM 0 H GLY A 15 5.585 6.618 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.198 6.296 5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.323 7.794 4.984 1.00 0.00 H new ATOM 146 N GLY A 16 7.105 5.750 7.392 1.00 0.00 N ATOM 147 CA GLY A 16 6.597 5.381 8.719 1.00 0.00 C ATOM 148 C GLY A 16 6.482 3.868 8.905 1.00 0.00 C ATOM 149 O GLY A 16 6.719 3.378 10.009 1.00 0.00 O ATOM 0 H GLY A 16 8.019 5.340 7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.259 5.788 9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.618 5.837 8.869 1.00 0.00 H new ATOM 153 N MET A 17 6.206 3.119 7.827 1.00 0.00 N ATOM 154 CA MET A 17 6.366 1.659 7.809 1.00 0.00 C ATOM 155 C MET A 17 7.839 1.313 7.551 1.00 0.00 C ATOM 156 O MET A 17 8.363 1.602 6.475 1.00 0.00 O ATOM 157 CB MET A 17 5.453 1.022 6.750 1.00 0.00 C ATOM 158 CG MET A 17 5.360 -0.502 6.932 1.00 0.00 C ATOM 159 SD MET A 17 4.666 -1.381 5.509 1.00 0.00 S ATOM 160 CE MET A 17 6.164 -1.528 4.499 1.00 0.00 C ATOM 0 H MET A 17 5.867 3.507 6.947 1.00 0.00 H new ATOM 0 HA MET A 17 6.072 1.253 8.777 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.457 1.459 6.816 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.835 1.248 5.755 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.357 -0.893 7.135 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.749 -0.715 7.809 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.928 -2.049 3.571 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.547 -0.534 4.269 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.920 -2.090 5.048 1.00 0.00 H new ATOM 219 N CYS A 22 4.143 -3.782 11.931 1.00 0.00 N ATOM 220 CA CYS A 22 3.108 -2.856 11.444 1.00 0.00 C ATOM 221 C CYS A 22 2.611 -3.099 10.004 1.00 0.00 C ATOM 222 O CYS A 22 1.425 -2.888 9.742 1.00 0.00 O ATOM 223 CB CYS A 22 3.643 -1.425 11.607 1.00 0.00 C ATOM 224 SG CYS A 22 4.107 -1.110 13.338 1.00 0.00 S ATOM 0 HA CYS A 22 2.219 -3.032 12.049 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.508 -1.278 10.960 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.884 -0.709 11.292 1.00 0.00 H new ATOM 0 HG CYS A 22 4.558 0.104 13.452 1.00 0.00 H new ATOM 229 N ALA A 23 3.459 -3.604 9.098 1.00 0.00 N ATOM 230 CA ALA A 23 3.077 -4.093 7.770 1.00 0.00 C ATOM 231 C ALA A 23 1.831 -5.008 7.787 1.00 0.00 C ATOM 232 O ALA A 23 1.032 -4.979 6.855 1.00 0.00 O ATOM 233 CB ALA A 23 4.297 -4.814 7.196 1.00 0.00 C ATOM 0 H ALA A 23 4.460 -3.685 9.276 1.00 0.00 H new ATOM 0 HA ALA A 23 2.785 -3.250 7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.060 -5.197 6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.132 -4.117 7.126 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.570 -5.643 7.849 1.00 0.00 H new ATOM 239 N SER A 24 1.599 -5.762 8.863 1.00 0.00 N ATOM 240 CA SER A 24 0.441 -6.660 9.019 1.00 0.00 C ATOM 241 C SER A 24 -0.906 -5.919 8.984 1.00 0.00 C ATOM 242 O SER A 24 -1.881 -6.433 8.444 1.00 0.00 O ATOM 243 CB SER A 24 0.555 -7.446 10.336 1.00 0.00 C ATOM 244 OG SER A 24 1.861 -7.975 10.505 1.00 0.00 O ATOM 0 H SER A 24 2.222 -5.769 9.671 1.00 0.00 H new ATOM 0 HA SER A 24 0.460 -7.339 8.167 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.313 -6.793 11.175 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.173 -8.257 10.343 1.00 0.00 H new ATOM 0 HG SER A 24 1.907 -8.469 11.350 1.00 0.00 H new ATOM 249 N SER A 25 -0.964 -4.681 9.479 1.00 0.00 N ATOM 250 CA SER A 25 -2.168 -3.834 9.443 1.00 0.00 C ATOM 251 C SER A 25 -2.399 -3.197 8.059 1.00 0.00 C ATOM 252 O SER A 25 -3.475 -2.658 7.795 1.00 0.00 O ATOM 253 CB SER A 25 -2.097 -2.755 10.540 1.00 0.00 C ATOM 254 OG SER A 25 -1.905 -3.320 11.832 1.00 0.00 O ATOM 0 H SER A 25 -0.166 -4.228 9.924 1.00 0.00 H new ATOM 0 HA SER A 25 -3.024 -4.480 9.637 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.280 -2.068 10.320 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.017 -2.170 10.533 1.00 0.00 H new ATOM 0 HG SER A 25 -1.864 -2.604 12.499 1.00 0.00 H new ATOM 259 N ILE A 26 -1.421 -3.292 7.148 1.00 0.00 N ATOM 260 CA ILE A 26 -1.642 -3.144 5.702 1.00 0.00 C ATOM 261 C ILE A 26 -2.099 -4.492 5.126 1.00 0.00 C ATOM 262 O ILE A 26 -3.176 -4.549 4.539 1.00 0.00 O ATOM 263 CB ILE A 26 -0.384 -2.571 4.990 1.00 0.00 C ATOM 264 CG1 ILE A 26 -0.105 -1.092 5.350 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.510 -2.669 3.458 1.00 0.00 C ATOM 266 CD1 ILE A 26 0.806 -0.898 6.566 1.00 0.00 C ATOM 0 H ILE A 26 -0.448 -3.475 7.395 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.432 -2.415 5.522 1.00 0.00 H new ATOM 0 HB ILE A 26 0.446 -3.182 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.349 -0.601 4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.055 -0.591 5.539 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.386 -2.260 2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.625 -3.714 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.381 -2.103 3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.949 0.167 6.747 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.347 -1.357 7.442 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.772 -1.366 6.376 1.00 0.00 H new ATOM 277 N GLU A 27 -1.321 -5.568 5.309 1.00 0.00 N ATOM 278 CA GLU A 27 -1.558 -6.871 4.667 1.00 0.00 C ATOM 279 C GLU A 27 -2.954 -7.443 4.952 1.00 0.00 C ATOM 280 O GLU A 27 -3.608 -7.932 4.026 1.00 0.00 O ATOM 281 CB GLU A 27 -0.507 -7.916 5.098 1.00 0.00 C ATOM 282 CG GLU A 27 0.902 -7.628 4.572 1.00 0.00 C ATOM 283 CD GLU A 27 1.865 -8.788 4.835 1.00 0.00 C ATOM 284 OE1 GLU A 27 2.406 -8.898 5.964 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.082 -9.605 3.908 1.00 0.00 O ATOM 0 H GLU A 27 -0.500 -5.559 5.914 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.478 -6.676 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.477 -7.959 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.821 -8.899 4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.855 -7.433 3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.287 -6.724 5.044 1.00 0.00 H new ATOM 290 N ARG A 28 -3.419 -7.405 6.211 1.00 0.00 N ATOM 291 CA ARG A 28 -4.715 -7.992 6.585 1.00 0.00 C ATOM 292 C ARG A 28 -5.904 -7.185 6.042 1.00 0.00 C ATOM 293 O ARG A 28 -6.928 -7.776 5.698 1.00 0.00 O ATOM 294 CB ARG A 28 -4.781 -8.173 8.112 1.00 0.00 C ATOM 295 CG ARG A 28 -6.070 -8.840 8.627 1.00 0.00 C ATOM 296 CD ARG A 28 -6.362 -10.237 8.048 1.00 0.00 C ATOM 297 NE ARG A 28 -7.617 -10.766 8.607 1.00 0.00 N ATOM 298 CZ ARG A 28 -8.187 -11.944 8.379 1.00 0.00 C ATOM 299 NH1 ARG A 28 -7.679 -12.842 7.561 1.00 0.00 N ATOM 300 NH2 ARG A 28 -9.310 -12.238 8.994 1.00 0.00 N ATOM 0 H ARG A 28 -2.916 -6.974 6.987 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.793 -8.973 6.117 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.927 -8.771 8.430 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.680 -7.196 8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.010 -8.919 9.712 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.913 -8.187 8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.434 -10.181 6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.539 -10.914 8.278 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.112 -10.149 9.251 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.808 -12.647 7.068 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.157 -13.732 7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.731 -11.566 9.635 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.761 -13.138 8.830 1.00 0.00 H new ATOM 311 N ALA A 29 -5.773 -5.860 5.915 1.00 0.00 N ATOM 312 CA ALA A 29 -6.795 -5.018 5.293 1.00 0.00 C ATOM 313 C ALA A 29 -6.816 -5.174 3.771 1.00 0.00 C ATOM 314 O ALA A 29 -7.891 -5.338 3.197 1.00 0.00 O ATOM 315 CB ALA A 29 -6.541 -3.550 5.650 1.00 0.00 C ATOM 0 H ALA A 29 -4.956 -5.344 6.241 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.764 -5.338 5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.304 -2.925 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.581 -3.427 6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.557 -3.252 5.287 1.00 0.00 H new ATOM 321 N LEU A 30 -5.642 -5.097 3.125 1.00 0.00 N ATOM 322 CA LEU A 30 -5.474 -4.850 1.688 1.00 0.00 C ATOM 323 C LEU A 30 -6.418 -5.679 0.831 1.00 0.00 C ATOM 324 O LEU A 30 -7.215 -5.121 0.083 1.00 0.00 O ATOM 325 CB LEU A 30 -3.999 -5.123 1.314 1.00 0.00 C ATOM 326 CG LEU A 30 -3.559 -4.855 -0.145 1.00 0.00 C ATOM 327 CD1 LEU A 30 -4.121 -5.791 -1.227 1.00 0.00 C ATOM 328 CD2 LEU A 30 -3.782 -3.386 -0.524 1.00 0.00 C ATOM 0 H LEU A 30 -4.751 -5.210 3.609 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.730 -3.810 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.371 -4.519 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.784 -6.167 1.541 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.495 -5.090 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.734 -5.494 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.819 -6.816 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.209 -5.728 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.465 -3.224 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.840 -3.142 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.200 -2.747 0.140 1.00 0.00 H new ATOM 339 N GLU A 31 -6.347 -7.004 0.955 1.00 0.00 N ATOM 340 CA GLU A 31 -7.055 -7.912 0.057 1.00 0.00 C ATOM 341 C GLU A 31 -8.584 -7.858 0.262 1.00 0.00 C ATOM 342 O GLU A 31 -9.336 -8.428 -0.535 1.00 0.00 O ATOM 343 CB GLU A 31 -6.499 -9.343 0.189 1.00 0.00 C ATOM 344 CG GLU A 31 -6.592 -9.957 1.596 1.00 0.00 C ATOM 345 CD GLU A 31 -6.003 -11.368 1.619 1.00 0.00 C ATOM 346 OE1 GLU A 31 -6.690 -12.311 1.151 1.00 0.00 O ATOM 347 OE2 GLU A 31 -4.844 -11.547 2.063 1.00 0.00 O ATOM 0 H GLU A 31 -5.800 -7.475 1.676 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.877 -7.579 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.034 -9.989 -0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.454 -9.339 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.060 -9.326 2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.634 -9.989 1.914 1.00 0.00 H new ATOM 352 N ARG A 32 -9.040 -7.175 1.322 1.00 0.00 N ATOM 353 CA ARG A 32 -10.425 -7.082 1.783 1.00 0.00 C ATOM 354 C ARG A 32 -11.064 -5.693 1.535 1.00 0.00 C ATOM 355 O ARG A 32 -12.280 -5.550 1.685 1.00 0.00 O ATOM 356 CB ARG A 32 -10.499 -7.461 3.281 1.00 0.00 C ATOM 357 CG ARG A 32 -9.730 -8.758 3.617 1.00 0.00 C ATOM 358 CD ARG A 32 -9.882 -9.225 5.072 1.00 0.00 C ATOM 359 NE ARG A 32 -11.250 -9.672 5.383 1.00 0.00 N ATOM 360 CZ ARG A 32 -11.803 -10.834 5.059 1.00 0.00 C ATOM 361 NH1 ARG A 32 -11.175 -11.768 4.379 1.00 0.00 N ATOM 362 NH2 ARG A 32 -13.039 -11.100 5.414 1.00 0.00 N ATOM 0 H ARG A 32 -8.407 -6.640 1.916 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.009 -7.788 1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.096 -6.642 3.877 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.544 -7.580 3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.075 -9.552 2.955 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.672 -8.604 3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.185 -10.041 5.263 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.609 -8.410 5.742 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.835 -9.018 5.903 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.214 -11.617 4.073 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.649 -12.643 4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.578 -10.412 5.941 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.460 -11.994 5.163 1.00 0.00 H new ATOM 373 N LEU A 33 -10.282 -4.668 1.146 1.00 0.00 N ATOM 374 CA LEU A 33 -10.773 -3.310 0.814 1.00 0.00 C ATOM 375 C LEU A 33 -11.587 -3.206 -0.493 1.00 0.00 C ATOM 376 O LEU A 33 -12.293 -2.206 -0.660 1.00 0.00 O ATOM 377 CB LEU A 33 -9.581 -2.330 0.704 1.00 0.00 C ATOM 378 CG LEU A 33 -8.624 -2.201 1.905 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.474 -1.238 1.575 1.00 0.00 C ATOM 380 CD2 LEU A 33 -9.339 -1.704 3.163 1.00 0.00 C ATOM 0 H LEU A 33 -9.271 -4.759 1.051 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.449 -3.056 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.988 -2.624 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.984 -1.340 0.493 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.234 -3.199 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.808 -1.159 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.917 -1.616 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.880 -0.254 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.624 -1.629 3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.774 -0.723 2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.129 -2.405 3.434 1.00 0.00 H new ATOM 391 N LYS A 34 -11.461 -4.189 -1.399 1.00 0.00 N ATOM 392 CA LYS A 34 -11.999 -4.252 -2.778 1.00 0.00 C ATOM 393 C LYS A 34 -11.222 -3.369 -3.785 1.00 0.00 C ATOM 394 O LYS A 34 -10.590 -2.373 -3.432 1.00 0.00 O ATOM 395 CB LYS A 34 -13.524 -4.020 -2.832 1.00 0.00 C ATOM 396 CG LYS A 34 -14.327 -5.235 -2.343 1.00 0.00 C ATOM 397 CD LYS A 34 -15.821 -4.886 -2.300 1.00 0.00 C ATOM 398 CE LYS A 34 -16.692 -6.076 -1.892 1.00 0.00 C ATOM 399 NZ LYS A 34 -16.890 -7.046 -2.994 1.00 0.00 N ATOM 0 H LYS A 34 -10.937 -5.034 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.834 -5.278 -3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.777 -3.153 -2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.816 -3.785 -3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.161 -6.083 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.985 -5.534 -1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.979 -4.067 -1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.135 -4.530 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.231 -6.584 -1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.663 -5.712 -1.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.487 -7.831 -2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.355 -6.572 -3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.968 -7.417 -3.300 1.00 0.00 H new ATOM 409 N GLY A 35 -11.203 -3.754 -5.068 1.00 0.00 N ATOM 410 CA GLY A 35 -10.486 -3.091 -6.177 1.00 0.00 C ATOM 411 C GLY A 35 -8.967 -3.309 -6.170 1.00 0.00 C ATOM 412 O GLY A 35 -8.382 -3.618 -7.206 1.00 0.00 O ATOM 0 H GLY A 35 -11.713 -4.580 -5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.889 -3.454 -7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.687 -2.021 -6.135 1.00 0.00 H new ATOM 416 N VAL A 36 -8.345 -3.179 -4.997 1.00 0.00 N ATOM 417 CA VAL A 36 -7.046 -3.788 -4.655 1.00 0.00 C ATOM 418 C VAL A 36 -7.218 -5.305 -4.453 1.00 0.00 C ATOM 419 O VAL A 36 -8.319 -5.767 -4.136 1.00 0.00 O ATOM 420 CB VAL A 36 -6.419 -3.161 -3.385 1.00 0.00 C ATOM 421 CG1 VAL A 36 -5.797 -1.780 -3.642 1.00 0.00 C ATOM 422 CG2 VAL A 36 -7.448 -3.014 -2.258 1.00 0.00 C ATOM 0 H VAL A 36 -8.738 -2.632 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.367 -3.595 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.631 -3.854 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.374 -1.393 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.009 -1.869 -4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.565 -1.097 -4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.970 -2.571 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.263 -2.371 -2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.844 -3.995 -1.996 1.00 0.00 H new ATOM 432 N ALA A 37 -6.146 -6.084 -4.651 1.00 0.00 N ATOM 433 CA ALA A 37 -6.219 -7.550 -4.676 1.00 0.00 C ATOM 434 C ALA A 37 -5.134 -8.295 -3.876 1.00 0.00 C ATOM 435 O ALA A 37 -5.488 -9.206 -3.129 1.00 0.00 O ATOM 436 CB ALA A 37 -6.204 -7.986 -6.148 1.00 0.00 C ATOM 0 H ALA A 37 -5.206 -5.716 -4.798 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.141 -7.829 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.257 -9.073 -6.206 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.060 -7.553 -6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.284 -7.642 -6.620 1.00 0.00 H new ATOM 442 N GLU A 38 -3.846 -7.974 -4.048 1.00 0.00 N ATOM 443 CA GLU A 38 -2.704 -8.781 -3.578 1.00 0.00 C ATOM 444 C GLU A 38 -1.479 -7.882 -3.376 1.00 0.00 C ATOM 445 O GLU A 38 -1.333 -6.904 -4.108 1.00 0.00 O ATOM 446 CB GLU A 38 -2.346 -9.898 -4.584 1.00 0.00 C ATOM 447 CG GLU A 38 -3.361 -11.049 -4.654 1.00 0.00 C ATOM 448 CD GLU A 38 -2.998 -12.121 -5.684 1.00 0.00 C ATOM 449 OE1 GLU A 38 -1.799 -12.425 -5.896 1.00 0.00 O ATOM 450 OE2 GLU A 38 -3.930 -12.679 -6.310 1.00 0.00 O ATOM 0 H GLU A 38 -3.557 -7.123 -4.531 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.993 -9.244 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.248 -9.457 -5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.371 -10.307 -4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.441 -11.513 -3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.343 -10.643 -4.895 1.00 0.00 H new ATOM 455 N ALA A 39 -0.576 -8.191 -2.436 1.00 0.00 N ATOM 456 CA ALA A 39 0.541 -7.300 -2.092 1.00 0.00 C ATOM 457 C ALA A 39 1.755 -8.000 -1.444 1.00 0.00 C ATOM 458 O ALA A 39 1.608 -8.981 -0.716 1.00 0.00 O ATOM 459 CB ALA A 39 -0.018 -6.178 -1.205 1.00 0.00 C ATOM 0 H ALA A 39 -0.598 -9.057 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 39 0.951 -6.900 -3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.787 -5.496 -0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.786 -5.631 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.452 -6.609 -0.303 1.00 0.00 H new ATOM 465 N SER A 40 2.955 -7.456 -1.674 1.00 0.00 N ATOM 466 CA SER A 40 4.223 -7.907 -1.071 1.00 0.00 C ATOM 467 C SER A 40 4.876 -6.782 -0.240 1.00 0.00 C ATOM 468 O SER A 40 5.238 -5.739 -0.795 1.00 0.00 O ATOM 469 CB SER A 40 5.238 -8.356 -2.141 1.00 0.00 C ATOM 470 OG SER A 40 4.749 -9.368 -3.012 1.00 0.00 O ATOM 0 H SER A 40 3.079 -6.664 -2.305 1.00 0.00 H new ATOM 0 HA SER A 40 3.971 -8.752 -0.430 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.532 -7.490 -2.735 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.137 -8.721 -1.644 1.00 0.00 H new ATOM 0 HG SER A 40 5.443 -9.602 -3.664 1.00 0.00 H new ATOM 475 N VAL A 41 5.065 -6.990 1.068 1.00 0.00 N ATOM 476 CA VAL A 41 5.709 -6.027 1.990 1.00 0.00 C ATOM 477 C VAL A 41 7.212 -6.299 2.133 1.00 0.00 C ATOM 478 O VAL A 41 7.632 -7.457 2.231 1.00 0.00 O ATOM 479 CB VAL A 41 5.030 -5.980 3.390 1.00 0.00 C ATOM 480 CG1 VAL A 41 3.507 -5.828 3.239 1.00 0.00 C ATOM 481 CG2 VAL A 41 5.335 -7.197 4.286 1.00 0.00 C ATOM 0 H VAL A 41 4.771 -7.849 1.532 1.00 0.00 H new ATOM 0 HA VAL A 41 5.575 -5.046 1.535 1.00 0.00 H new ATOM 0 HB VAL A 41 5.459 -5.112 3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.045 -5.797 4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.285 -4.904 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.110 -6.675 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.823 -7.083 5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.988 -8.106 3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.410 -7.263 4.456 1.00 0.00 H new ATOM 491 N THR A 42 8.011 -5.228 2.207 1.00 0.00 N ATOM 492 CA THR A 42 9.435 -5.264 2.584 1.00 0.00 C ATOM 493 C THR A 42 9.600 -4.385 3.815 1.00 0.00 C ATOM 494 O THR A 42 9.578 -3.161 3.705 1.00 0.00 O ATOM 495 CB THR A 42 10.317 -4.789 1.429 1.00 0.00 C ATOM 496 OG1 THR A 42 10.111 -5.660 0.343 1.00 0.00 O ATOM 497 CG2 THR A 42 11.807 -4.836 1.770 1.00 0.00 C ATOM 0 H THR A 42 7.679 -4.286 2.001 1.00 0.00 H new ATOM 0 HA THR A 42 9.749 -6.283 2.810 1.00 0.00 H new ATOM 0 HB THR A 42 10.047 -3.757 1.207 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.394 -5.221 -0.486 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.387 -4.488 0.915 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.004 -4.193 2.628 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.093 -5.860 2.010 1.00 0.00 H new ATOM 505 N VAL A 43 9.726 -5.009 4.983 1.00 0.00 N ATOM 506 CA VAL A 43 9.722 -4.321 6.287 1.00 0.00 C ATOM 507 C VAL A 43 11.075 -3.665 6.607 1.00 0.00 C ATOM 508 O VAL A 43 11.092 -2.593 7.208 1.00 0.00 O ATOM 509 CB VAL A 43 9.316 -5.302 7.410 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.573 -4.766 8.828 1.00 0.00 C ATOM 511 CG2 VAL A 43 7.814 -5.586 7.275 1.00 0.00 C ATOM 0 H VAL A 43 9.836 -6.020 5.060 1.00 0.00 H new ATOM 0 HA VAL A 43 8.986 -3.520 6.227 1.00 0.00 H new ATOM 0 HB VAL A 43 9.930 -6.195 7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.263 -5.511 9.560 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.636 -4.557 8.951 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.003 -3.849 8.979 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.503 -6.277 8.058 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.257 -4.654 7.372 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.614 -6.029 6.299 1.00 0.00 H new ATOM 521 N ALA A 44 12.208 -4.267 6.219 1.00 0.00 N ATOM 522 CA ALA A 44 13.540 -3.745 6.555 1.00 0.00 C ATOM 523 C ALA A 44 13.817 -2.405 5.847 1.00 0.00 C ATOM 524 O ALA A 44 14.127 -1.399 6.487 1.00 0.00 O ATOM 525 CB ALA A 44 14.578 -4.818 6.194 1.00 0.00 C ATOM 0 H ALA A 44 12.227 -5.124 5.667 1.00 0.00 H new ATOM 0 HA ALA A 44 13.599 -3.532 7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.577 -4.454 6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.376 -5.726 6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.519 -5.037 5.128 1.00 0.00 H new ATOM 531 N THR A 45 13.641 -2.392 4.522 1.00 0.00 N ATOM 532 CA THR A 45 13.827 -1.228 3.636 1.00 0.00 C ATOM 533 C THR A 45 12.578 -0.334 3.576 1.00 0.00 C ATOM 534 O THR A 45 12.632 0.750 2.995 1.00 0.00 O ATOM 535 CB THR A 45 14.250 -1.718 2.238 1.00 0.00 C ATOM 536 OG1 THR A 45 15.150 -2.798 2.384 1.00 0.00 O ATOM 537 CG2 THR A 45 14.979 -0.651 1.420 1.00 0.00 C ATOM 0 H THR A 45 13.352 -3.226 4.011 1.00 0.00 H new ATOM 0 HA THR A 45 14.618 -0.602 4.048 1.00 0.00 H new ATOM 0 HB THR A 45 13.333 -1.993 1.718 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.424 -3.118 1.499 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.249 -1.060 0.447 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.326 0.211 1.283 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.882 -0.342 1.947 1.00 0.00 H new ATOM 545 N GLY A 46 11.457 -0.769 4.168 1.00 0.00 N ATOM 546 CA GLY A 46 10.182 -0.051 4.257 1.00 0.00 C ATOM 547 C GLY A 46 9.625 0.370 2.898 1.00 0.00 C ATOM 548 O GLY A 46 9.709 1.542 2.533 1.00 0.00 O ATOM 0 H GLY A 46 11.415 -1.682 4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.451 -0.684 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.316 0.836 4.877 1.00 0.00 H new ATOM 552 N ARG A 47 9.050 -0.586 2.157 1.00 0.00 N ATOM 553 CA ARG A 47 8.374 -0.364 0.865 1.00 0.00 C ATOM 554 C ARG A 47 7.267 -1.398 0.605 1.00 0.00 C ATOM 555 O ARG A 47 7.147 -2.386 1.333 1.00 0.00 O ATOM 556 CB ARG A 47 9.381 -0.313 -0.302 1.00 0.00 C ATOM 557 CG ARG A 47 10.079 -1.659 -0.555 1.00 0.00 C ATOM 558 CD ARG A 47 10.785 -1.727 -1.912 1.00 0.00 C ATOM 559 NE ARG A 47 11.200 -3.115 -2.186 1.00 0.00 N ATOM 560 CZ ARG A 47 12.352 -3.687 -1.860 1.00 0.00 C ATOM 561 NH1 ARG A 47 13.382 -2.988 -1.435 1.00 0.00 N ATOM 562 NH2 ARG A 47 12.474 -4.994 -1.941 1.00 0.00 N ATOM 0 H ARG A 47 9.040 -1.564 2.445 1.00 0.00 H new ATOM 0 HA ARG A 47 7.891 0.611 0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.862 -0.004 -1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.134 0.446 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.808 -1.837 0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.342 -2.460 -0.496 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.117 -1.375 -2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.655 -1.070 -1.914 1.00 0.00 H new ATOM 0 HE ARG A 47 10.527 -3.700 -2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.309 -1.974 -1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.253 -3.460 -1.193 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.686 -5.561 -2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.357 -5.440 -1.692 1.00 0.00 H new ATOM 573 N LEU A 48 6.479 -1.178 -0.454 1.00 0.00 N ATOM 574 CA LEU A 48 5.355 -2.030 -0.853 1.00 0.00 C ATOM 575 C LEU A 48 5.373 -2.368 -2.348 1.00 0.00 C ATOM 576 O LEU A 48 5.808 -1.564 -3.174 1.00 0.00 O ATOM 577 CB LEU A 48 4.040 -1.294 -0.532 1.00 0.00 C ATOM 578 CG LEU A 48 3.681 -1.176 0.958 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.351 -0.428 1.045 1.00 0.00 C ATOM 580 CD2 LEU A 48 3.507 -2.547 1.617 1.00 0.00 C ATOM 0 H LEU A 48 6.610 -0.379 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 48 5.439 -2.966 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.097 -0.290 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.225 -1.808 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 48 4.487 -0.657 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.060 -0.323 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.459 0.560 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.584 -0.987 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.254 -2.416 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.707 -3.092 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.436 -3.111 1.535 1.00 0.00 H new ATOM 591 N THR A 49 4.784 -3.517 -2.680 1.00 0.00 N ATOM 592 CA THR A 49 4.327 -3.908 -4.025 1.00 0.00 C ATOM 593 C THR A 49 2.853 -4.245 -3.882 1.00 0.00 C ATOM 594 O THR A 49 2.501 -4.931 -2.926 1.00 0.00 O ATOM 595 CB THR A 49 5.081 -5.137 -4.558 1.00 0.00 C ATOM 596 OG1 THR A 49 6.472 -4.955 -4.444 1.00 0.00 O ATOM 597 CG2 THR A 49 4.783 -5.381 -6.037 1.00 0.00 C ATOM 0 H THR A 49 4.601 -4.242 -1.986 1.00 0.00 H new ATOM 0 HA THR A 49 4.509 -3.099 -4.732 1.00 0.00 H new ATOM 0 HB THR A 49 4.747 -5.986 -3.962 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.935 -5.748 -4.787 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.333 -6.258 -6.379 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.714 -5.549 -6.170 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.089 -4.511 -6.618 1.00 0.00 H new ATOM 605 N VAL A 50 2.001 -3.772 -4.787 1.00 0.00 N ATOM 606 CA VAL A 50 0.538 -3.899 -4.684 1.00 0.00 C ATOM 607 C VAL A 50 -0.112 -4.105 -6.057 1.00 0.00 C ATOM 608 O VAL A 50 0.287 -3.486 -7.040 1.00 0.00 O ATOM 609 CB VAL A 50 -0.077 -2.694 -3.924 1.00 0.00 C ATOM 610 CG1 VAL A 50 0.248 -1.328 -4.560 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.602 -2.842 -3.779 1.00 0.00 C ATOM 0 H VAL A 50 2.305 -3.281 -5.628 1.00 0.00 H new ATOM 0 HA VAL A 50 0.325 -4.794 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 50 0.390 -2.710 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.215 -0.534 -3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.328 -1.183 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.139 -1.300 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.002 -1.982 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.058 -2.897 -4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.828 -3.753 -3.224 1.00 0.00 H new ATOM 621 N THR A 51 -1.123 -4.983 -6.093 1.00 0.00 N ATOM 622 CA THR A 51 -1.947 -5.326 -7.255 1.00 0.00 C ATOM 623 C THR A 51 -3.318 -4.684 -7.118 1.00 0.00 C ATOM 624 O THR A 51 -3.995 -4.909 -6.115 1.00 0.00 O ATOM 625 CB THR A 51 -2.073 -6.849 -7.402 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.789 -7.356 -7.675 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.966 -7.252 -8.580 1.00 0.00 C ATOM 0 H THR A 51 -1.403 -5.503 -5.261 1.00 0.00 H new ATOM 0 HA THR A 51 -1.465 -4.943 -8.155 1.00 0.00 H new ATOM 0 HB THR A 51 -2.509 -7.240 -6.483 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.836 -8.330 -7.773 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.021 -8.339 -8.639 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.967 -6.845 -8.434 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.546 -6.859 -9.506 1.00 0.00 H new ATOM 635 N TYR A 52 -3.743 -3.948 -8.148 1.00 0.00 N ATOM 636 CA TYR A 52 -5.039 -3.254 -8.212 1.00 0.00 C ATOM 637 C TYR A 52 -5.518 -2.991 -9.653 1.00 0.00 C ATOM 638 O TYR A 52 -4.714 -2.959 -10.586 1.00 0.00 O ATOM 639 CB TYR A 52 -4.969 -1.949 -7.398 1.00 0.00 C ATOM 640 CG TYR A 52 -4.083 -0.835 -7.943 1.00 0.00 C ATOM 641 CD1 TYR A 52 -4.580 0.051 -8.920 1.00 0.00 C ATOM 642 CD2 TYR A 52 -2.785 -0.640 -7.429 1.00 0.00 C ATOM 643 CE1 TYR A 52 -3.778 1.104 -9.398 1.00 0.00 C ATOM 644 CE2 TYR A 52 -1.987 0.433 -7.877 1.00 0.00 C ATOM 645 CZ TYR A 52 -2.482 1.307 -8.873 1.00 0.00 C ATOM 646 OH TYR A 52 -1.745 2.353 -9.339 1.00 0.00 O ATOM 0 H TYR A 52 -3.180 -3.812 -8.988 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.785 -3.916 -7.772 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.982 -1.558 -7.299 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.623 -2.195 -6.394 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.581 -0.079 -9.304 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.398 -1.319 -6.684 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.155 1.760 -10.169 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.002 0.587 -7.461 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.060 2.591 -8.679 1.00 0.00 H new ATOM 655 N ASP A 53 -6.828 -2.785 -9.845 1.00 0.00 N ATOM 656 CA ASP A 53 -7.429 -2.374 -11.116 1.00 0.00 C ATOM 657 C ASP A 53 -7.537 -0.832 -11.140 1.00 0.00 C ATOM 658 O ASP A 53 -8.247 -0.267 -10.295 1.00 0.00 O ATOM 659 CB ASP A 53 -8.789 -3.073 -11.277 1.00 0.00 C ATOM 660 CG ASP A 53 -9.533 -2.655 -12.550 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.044 -1.513 -12.596 1.00 0.00 O ATOM 662 OD2 ASP A 53 -9.611 -3.468 -13.497 1.00 0.00 O ATOM 0 H ASP A 53 -7.515 -2.903 -9.100 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.812 -2.671 -11.964 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.637 -4.152 -11.290 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.411 -2.849 -10.410 1.00 0.00 H new ATOM 666 N PRO A 54 -6.848 -0.142 -12.076 1.00 0.00 N ATOM 667 CA PRO A 54 -6.657 1.310 -12.060 1.00 0.00 C ATOM 668 C PRO A 54 -7.913 2.101 -12.458 1.00 0.00 C ATOM 669 O PRO A 54 -7.833 3.314 -12.648 1.00 0.00 O ATOM 670 CB PRO A 54 -5.483 1.566 -13.017 1.00 0.00 C ATOM 671 CG PRO A 54 -5.643 0.461 -14.053 1.00 0.00 C ATOM 672 CD PRO A 54 -6.125 -0.714 -13.205 1.00 0.00 C ATOM 0 HA PRO A 54 -6.449 1.661 -11.049 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.539 2.556 -13.470 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.523 1.504 -12.505 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.365 0.729 -14.825 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.703 0.239 -14.559 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.771 -1.372 -13.786 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.283 -1.316 -12.862 1.00 0.00 H new ATOM 677 N LYS A 55 -9.069 1.434 -12.588 1.00 0.00 N ATOM 678 CA LYS A 55 -10.347 2.071 -12.949 1.00 0.00 C ATOM 679 C LYS A 55 -11.503 1.663 -12.017 1.00 0.00 C ATOM 680 O LYS A 55 -12.466 2.424 -11.880 1.00 0.00 O ATOM 681 CB LYS A 55 -10.653 1.824 -14.441 1.00 0.00 C ATOM 682 CG LYS A 55 -9.641 2.559 -15.344 1.00 0.00 C ATOM 683 CD LYS A 55 -9.997 2.487 -16.834 1.00 0.00 C ATOM 684 CE LYS A 55 -8.919 3.225 -17.644 1.00 0.00 C ATOM 685 NZ LYS A 55 -9.160 3.167 -19.105 1.00 0.00 N ATOM 0 H LYS A 55 -9.145 0.427 -12.444 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.245 3.146 -12.803 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.622 0.755 -14.650 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.663 2.164 -14.670 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.585 3.604 -15.040 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.650 2.130 -15.193 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.063 1.447 -17.155 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.974 2.938 -17.010 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.883 4.267 -17.327 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.944 2.791 -17.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.404 3.680 -19.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.168 2.175 -19.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.077 3.606 -19.323 1.00 0.00 H new ATOM 695 N GLN A 56 -11.391 0.538 -11.300 1.00 0.00 N ATOM 696 CA GLN A 56 -12.116 0.289 -10.047 1.00 0.00 C ATOM 697 C GLN A 56 -11.546 1.156 -8.913 1.00 0.00 C ATOM 698 O GLN A 56 -12.328 1.711 -8.141 1.00 0.00 O ATOM 699 CB GLN A 56 -12.023 -1.197 -9.642 1.00 0.00 C ATOM 700 CG GLN A 56 -12.898 -2.126 -10.502 1.00 0.00 C ATOM 701 CD GLN A 56 -12.710 -3.616 -10.180 1.00 0.00 C ATOM 702 OE1 GLN A 56 -12.336 -4.411 -11.037 1.00 0.00 O ATOM 703 NE2 GLN A 56 -12.959 -4.053 -8.962 1.00 0.00 N ATOM 0 H GLN A 56 -10.786 -0.235 -11.577 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.162 0.548 -10.213 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.985 -1.520 -9.714 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.317 -1.299 -8.597 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.945 -1.861 -10.359 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.668 -1.958 -11.554 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.270 -3.403 -8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.840 -5.042 -8.741 1.00 0.00 H new ATOM 710 N VAL A 57 -10.215 1.300 -8.813 1.00 0.00 N ATOM 711 CA VAL A 57 -9.520 2.050 -7.742 1.00 0.00 C ATOM 712 C VAL A 57 -8.189 2.647 -8.252 1.00 0.00 C ATOM 713 O VAL A 57 -8.026 2.833 -9.455 1.00 0.00 O ATOM 714 CB VAL A 57 -9.299 1.184 -6.473 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.603 0.739 -5.793 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.430 -0.052 -6.761 1.00 0.00 C ATOM 0 H VAL A 57 -9.571 0.889 -9.490 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.171 2.876 -7.455 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.775 1.843 -5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.368 0.138 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.174 1.617 -5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.193 0.146 -6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.302 -0.628 -5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.917 -0.672 -7.514 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.455 0.267 -7.129 1.00 0.00 H new ATOM 726 N SER A 58 -7.243 2.959 -7.362 1.00 0.00 N ATOM 727 CA SER A 58 -5.943 3.597 -7.610 1.00 0.00 C ATOM 728 C SER A 58 -5.116 3.579 -6.304 1.00 0.00 C ATOM 729 O SER A 58 -5.499 2.894 -5.350 1.00 0.00 O ATOM 730 CB SER A 58 -6.167 5.036 -8.109 1.00 0.00 C ATOM 731 OG SER A 58 -6.767 5.811 -7.087 1.00 0.00 O ATOM 0 H SER A 58 -7.375 2.757 -6.371 1.00 0.00 H new ATOM 0 HA SER A 58 -5.392 3.053 -8.377 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.216 5.480 -8.404 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.804 5.029 -8.994 1.00 0.00 H new ATOM 0 HG SER A 58 -6.906 6.726 -7.409 1.00 0.00 H new ATOM 736 N GLU A 59 -4.053 4.393 -6.193 1.00 0.00 N ATOM 737 CA GLU A 59 -3.379 4.690 -4.915 1.00 0.00 C ATOM 738 C GLU A 59 -4.334 5.118 -3.780 1.00 0.00 C ATOM 739 O GLU A 59 -3.996 4.967 -2.610 1.00 0.00 O ATOM 740 CB GLU A 59 -2.290 5.769 -5.123 1.00 0.00 C ATOM 741 CG GLU A 59 -2.829 7.120 -5.635 1.00 0.00 C ATOM 742 CD GLU A 59 -1.713 8.082 -6.049 1.00 0.00 C ATOM 743 OE1 GLU A 59 -1.167 7.933 -7.167 1.00 0.00 O ATOM 744 OE2 GLU A 59 -1.417 9.054 -5.310 1.00 0.00 O ATOM 0 H GLU A 59 -3.633 4.867 -6.992 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.928 3.752 -4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.771 5.932 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.552 5.393 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.487 6.945 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.433 7.585 -4.856 1.00 0.00 H new ATOM 749 N ILE A 60 -5.535 5.618 -4.093 1.00 0.00 N ATOM 750 CA ILE A 60 -6.503 6.158 -3.122 1.00 0.00 C ATOM 751 C ILE A 60 -6.899 5.135 -2.054 1.00 0.00 C ATOM 752 O ILE A 60 -6.866 5.446 -0.862 1.00 0.00 O ATOM 753 CB ILE A 60 -7.733 6.688 -3.900 1.00 0.00 C ATOM 754 CG1 ILE A 60 -7.386 7.932 -4.749 1.00 0.00 C ATOM 755 CG2 ILE A 60 -8.937 6.963 -2.986 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.007 9.192 -3.971 1.00 0.00 C ATOM 0 H ILE A 60 -5.873 5.661 -5.054 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.035 6.976 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.025 5.889 -4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.559 7.676 -5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.242 8.164 -5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.770 7.332 -3.583 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.231 6.041 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.665 7.711 -2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.785 9.998 -4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.837 9.487 -3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.128 8.991 -3.358 1.00 0.00 H new ATOM 767 N THR A 61 -7.254 3.915 -2.461 1.00 0.00 N ATOM 768 CA THR A 61 -7.819 2.896 -1.564 1.00 0.00 C ATOM 769 C THR A 61 -6.820 2.460 -0.498 1.00 0.00 C ATOM 770 O THR A 61 -7.198 2.257 0.653 1.00 0.00 O ATOM 771 CB THR A 61 -8.305 1.723 -2.411 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.222 2.235 -3.340 1.00 0.00 O ATOM 773 CG2 THR A 61 -9.011 0.633 -1.609 1.00 0.00 C ATOM 0 H THR A 61 -7.159 3.601 -3.427 1.00 0.00 H new ATOM 0 HA THR A 61 -8.663 3.319 -1.019 1.00 0.00 H new ATOM 0 HB THR A 61 -7.430 1.263 -2.869 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.040 1.696 -3.323 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.327 -0.166 -2.280 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.327 0.230 -0.862 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.884 1.055 -1.111 1.00 0.00 H new ATOM 781 N ILE A 62 -5.541 2.368 -0.866 1.00 0.00 N ATOM 782 CA ILE A 62 -4.439 2.022 0.044 1.00 0.00 C ATOM 783 C ILE A 62 -3.882 3.257 0.782 1.00 0.00 C ATOM 784 O ILE A 62 -3.515 3.132 1.953 1.00 0.00 O ATOM 785 CB ILE A 62 -3.398 1.185 -0.738 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.505 0.396 0.237 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.610 2.032 -1.749 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.360 -0.387 -0.424 1.00 0.00 C ATOM 0 H ILE A 62 -5.232 2.535 -1.824 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.798 1.396 0.861 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.929 0.452 -1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.080 1.091 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.129 -0.303 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.893 1.400 -2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.299 2.473 -2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.079 2.825 -1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.787 -0.910 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.773 -1.111 -1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.707 0.304 -0.957 1.00 0.00 H new ATOM 799 N GLN A 63 -3.919 4.455 0.177 1.00 0.00 N ATOM 800 CA GLN A 63 -3.649 5.738 0.842 1.00 0.00 C ATOM 801 C GLN A 63 -4.534 5.900 2.075 1.00 0.00 C ATOM 802 O GLN A 63 -4.019 6.138 3.165 1.00 0.00 O ATOM 803 CB GLN A 63 -3.886 6.909 -0.142 1.00 0.00 C ATOM 804 CG GLN A 63 -3.691 8.325 0.439 1.00 0.00 C ATOM 805 CD GLN A 63 -4.508 9.366 -0.326 1.00 0.00 C ATOM 806 OE1 GLN A 63 -5.527 9.864 0.144 1.00 0.00 O ATOM 807 NE2 GLN A 63 -4.123 9.714 -1.533 1.00 0.00 N ATOM 0 H GLN A 63 -4.143 4.560 -0.813 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.607 5.749 1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.211 6.789 -0.990 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.902 6.833 -0.530 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.984 8.331 1.489 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.635 8.592 0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.278 9.308 -1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.669 10.390 -2.067 1.00 0.00 H new ATOM 814 N GLU A 64 -5.848 5.734 1.911 1.00 0.00 N ATOM 815 CA GLU A 64 -6.833 5.913 2.978 1.00 0.00 C ATOM 816 C GLU A 64 -6.616 4.977 4.174 1.00 0.00 C ATOM 817 O GLU A 64 -7.022 5.328 5.285 1.00 0.00 O ATOM 818 CB GLU A 64 -8.241 5.725 2.388 1.00 0.00 C ATOM 819 CG GLU A 64 -8.649 6.850 1.423 1.00 0.00 C ATOM 820 CD GLU A 64 -9.140 8.085 2.163 1.00 0.00 C ATOM 821 OE1 GLU A 64 -8.364 8.714 2.918 1.00 0.00 O ATOM 822 OE2 GLU A 64 -10.329 8.447 2.015 1.00 0.00 O ATOM 0 H GLU A 64 -6.264 5.467 1.019 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.714 6.922 3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.283 4.771 1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.965 5.673 3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.798 7.117 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.434 6.490 0.758 1.00 0.00 H new ATOM 827 N ARG A 65 -5.940 3.837 3.963 1.00 0.00 N ATOM 828 CA ARG A 65 -5.495 2.920 5.015 1.00 0.00 C ATOM 829 C ARG A 65 -4.147 3.369 5.602 1.00 0.00 C ATOM 830 O ARG A 65 -4.027 3.540 6.813 1.00 0.00 O ATOM 831 CB ARG A 65 -5.450 1.479 4.450 1.00 0.00 C ATOM 832 CG ARG A 65 -5.890 0.381 5.436 1.00 0.00 C ATOM 833 CD ARG A 65 -5.060 0.318 6.723 1.00 0.00 C ATOM 834 NE ARG A 65 -5.554 -0.702 7.662 1.00 0.00 N ATOM 835 CZ ARG A 65 -6.447 -0.516 8.630 1.00 0.00 C ATOM 836 NH1 ARG A 65 -7.180 0.570 8.742 1.00 0.00 N ATOM 837 NH2 ARG A 65 -6.622 -1.444 9.535 1.00 0.00 N ATOM 0 H ARG A 65 -5.682 3.522 3.028 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.205 2.935 5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.087 1.431 3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.433 1.265 4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.935 0.543 5.699 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.834 -0.585 4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.021 0.103 6.472 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.075 1.293 7.210 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.175 -1.643 7.561 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.079 1.326 8.064 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.850 0.657 9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.075 -2.304 9.496 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.305 -1.307 10.280 1.00 0.00 H new ATOM 848 N ILE A 66 -3.118 3.576 4.776 1.00 0.00 N ATOM 849 CA ILE A 66 -1.739 3.858 5.233 1.00 0.00 C ATOM 850 C ILE A 66 -1.633 5.213 5.954 1.00 0.00 C ATOM 851 O ILE A 66 -0.984 5.299 6.998 1.00 0.00 O ATOM 852 CB ILE A 66 -0.762 3.703 4.040 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.696 2.216 3.614 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.660 4.185 4.388 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.014 1.967 2.279 1.00 0.00 C ATOM 0 H ILE A 66 -3.211 3.554 3.760 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.451 3.127 5.989 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.140 4.322 3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.185 1.650 4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.711 1.825 3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.310 4.057 3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.629 5.238 4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.048 3.601 5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.013 0.899 2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.508 2.501 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.042 2.324 2.342 1.00 0.00 H new ATOM 866 N ALA A 67 -2.332 6.246 5.475 1.00 0.00 N ATOM 867 CA ALA A 67 -2.405 7.552 6.134 1.00 0.00 C ATOM 868 C ALA A 67 -3.018 7.471 7.550 1.00 0.00 C ATOM 869 O ALA A 67 -2.621 8.224 8.444 1.00 0.00 O ATOM 870 CB ALA A 67 -3.237 8.479 5.235 1.00 0.00 C ATOM 0 H ALA A 67 -2.869 6.198 4.609 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.395 7.939 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.312 9.463 5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.755 8.571 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.236 8.062 5.107 1.00 0.00 H new ATOM 876 N ALA A 68 -3.975 6.554 7.746 1.00 0.00 N ATOM 877 CA ALA A 68 -4.765 6.371 8.968 1.00 0.00 C ATOM 878 C ALA A 68 -4.115 5.427 9.998 1.00 0.00 C ATOM 879 O ALA A 68 -4.302 5.599 11.204 1.00 0.00 O ATOM 880 CB ALA A 68 -6.139 5.861 8.527 1.00 0.00 C ATOM 0 H ALA A 68 -4.231 5.886 7.019 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.838 7.323 9.493 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.769 5.708 9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.605 6.594 7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.023 4.917 7.994 1.00 0.00 H new ATOM 886 N LEU A 69 -3.276 4.482 9.554 1.00 0.00 N ATOM 887 CA LEU A 69 -2.327 3.784 10.440 1.00 0.00 C ATOM 888 C LEU A 69 -1.342 4.763 11.112 1.00 0.00 C ATOM 889 O LEU A 69 -0.883 4.500 12.226 1.00 0.00 O ATOM 890 CB LEU A 69 -1.588 2.689 9.656 1.00 0.00 C ATOM 891 CG LEU A 69 -2.488 1.522 9.200 1.00 0.00 C ATOM 892 CD1 LEU A 69 -1.653 0.567 8.345 1.00 0.00 C ATOM 893 CD2 LEU A 69 -3.120 0.747 10.366 1.00 0.00 C ATOM 0 H LEU A 69 -3.233 4.180 8.581 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.893 3.314 11.244 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.121 3.138 8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.785 2.293 10.277 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.313 1.950 8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.276 -0.264 8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.267 1.100 7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.820 0.184 8.935 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.740 -0.059 9.974 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.333 0.327 10.993 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.736 1.422 10.960 1.00 0.00 H new ATOM 904 N GLY A 70 -1.091 5.918 10.482 1.00 0.00 N ATOM 905 CA GLY A 70 -0.291 7.032 11.011 1.00 0.00 C ATOM 906 C GLY A 70 0.880 7.434 10.117 1.00 0.00 C ATOM 907 O GLY A 70 1.723 8.224 10.535 1.00 0.00 O ATOM 0 H GLY A 70 -1.456 6.111 9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.940 7.896 11.153 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.093 6.756 11.993 1.00 0.00 H new ATOM 911 N TYR A 71 0.958 6.904 8.896 1.00 0.00 N ATOM 912 CA TYR A 71 2.117 7.033 8.003 1.00 0.00 C ATOM 913 C TYR A 71 1.850 8.041 6.859 1.00 0.00 C ATOM 914 O TYR A 71 0.862 8.789 6.892 1.00 0.00 O ATOM 915 CB TYR A 71 2.464 5.609 7.513 1.00 0.00 C ATOM 916 CG TYR A 71 2.516 4.529 8.592 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.063 4.795 9.866 1.00 0.00 C ATOM 918 CD2 TYR A 71 1.956 3.261 8.335 1.00 0.00 C ATOM 919 CE1 TYR A 71 2.983 3.834 10.892 1.00 0.00 C ATOM 920 CE2 TYR A 71 1.894 2.288 9.349 1.00 0.00 C ATOM 921 CZ TYR A 71 2.375 2.585 10.643 1.00 0.00 C ATOM 922 OH TYR A 71 2.217 1.676 11.644 1.00 0.00 O ATOM 0 H TYR A 71 0.199 6.359 8.487 1.00 0.00 H new ATOM 0 HA TYR A 71 2.977 7.451 8.526 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.729 5.313 6.765 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.432 5.643 7.013 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.546 5.742 10.055 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.571 3.035 7.351 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.387 4.053 11.869 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.478 1.314 9.138 1.00 0.00 H new ATOM 0 HH TYR A 71 1.420 1.133 11.470 1.00 0.00 H new ATOM 931 N THR A 72 2.721 8.059 5.844 1.00 0.00 N ATOM 932 CA THR A 72 2.577 8.762 4.549 1.00 0.00 C ATOM 933 C THR A 72 3.095 7.852 3.432 1.00 0.00 C ATOM 934 O THR A 72 3.721 6.839 3.725 1.00 0.00 O ATOM 935 CB THR A 72 3.348 10.094 4.529 1.00 0.00 C ATOM 936 OG1 THR A 72 4.585 9.960 5.191 1.00 0.00 O ATOM 937 CG2 THR A 72 2.575 11.226 5.194 1.00 0.00 C ATOM 0 H THR A 72 3.605 7.553 5.901 1.00 0.00 H new ATOM 0 HA THR A 72 1.522 8.992 4.400 1.00 0.00 H new ATOM 0 HB THR A 72 3.497 10.343 3.478 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.063 10.815 5.168 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.164 12.142 5.152 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.630 11.378 4.672 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.377 10.969 6.235 1.00 0.00 H new ATOM 945 N LEU A 73 2.852 8.191 2.163 1.00 0.00 N ATOM 946 CA LEU A 73 3.115 7.309 1.013 1.00 0.00 C ATOM 947 C LEU A 73 3.201 8.050 -0.329 1.00 0.00 C ATOM 948 O LEU A 73 2.711 9.177 -0.453 1.00 0.00 O ATOM 949 CB LEU A 73 2.061 6.179 0.949 1.00 0.00 C ATOM 950 CG LEU A 73 0.621 6.625 0.598 1.00 0.00 C ATOM 951 CD1 LEU A 73 -0.130 5.463 -0.064 1.00 0.00 C ATOM 952 CD2 LEU A 73 -0.157 7.114 1.832 1.00 0.00 C ATOM 0 H LEU A 73 2.462 9.096 1.898 1.00 0.00 H new ATOM 0 HA LEU A 73 4.102 6.878 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.385 5.446 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.040 5.672 1.913 1.00 0.00 H new ATOM 0 HG LEU A 73 0.696 7.466 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.144 5.778 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.389 5.166 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.170 4.617 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.161 7.416 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.223 6.309 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.361 7.965 2.275 1.00 0.00 H new ATOM 963 N ALA A 74 3.737 7.376 -1.353 1.00 0.00 N ATOM 964 CA ALA A 74 3.794 7.871 -2.734 1.00 0.00 C ATOM 965 C ALA A 74 3.854 6.739 -3.781 1.00 0.00 C ATOM 966 O ALA A 74 4.478 5.703 -3.554 1.00 0.00 O ATOM 967 CB ALA A 74 4.986 8.830 -2.874 1.00 0.00 C ATOM 0 H ALA A 74 4.152 6.451 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 74 2.866 8.405 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.035 9.202 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.861 9.668 -2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.909 8.301 -2.636 1.00 0.00 H new ATOM 973 N GLU A 75 3.239 6.958 -4.947 1.00 0.00 N ATOM 974 CA GLU A 75 3.313 6.070 -6.119 1.00 0.00 C ATOM 975 C GLU A 75 3.454 6.909 -7.408 1.00 0.00 C ATOM 976 O GLU A 75 2.486 7.064 -8.158 1.00 0.00 O ATOM 977 CB GLU A 75 2.088 5.131 -6.107 1.00 0.00 C ATOM 978 CG GLU A 75 2.183 3.892 -7.012 1.00 0.00 C ATOM 979 CD GLU A 75 1.730 4.142 -8.453 1.00 0.00 C ATOM 980 OE1 GLU A 75 0.504 4.072 -8.714 1.00 0.00 O ATOM 981 OE2 GLU A 75 2.588 4.313 -9.354 1.00 0.00 O ATOM 0 H GLU A 75 2.658 7.781 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 75 4.199 5.436 -6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.920 4.797 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.211 5.706 -6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.214 3.539 -7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.577 3.094 -6.584 1.00 0.00 H new ATOM 986 N PRO A 76 4.627 7.528 -7.654 1.00 0.00 N ATOM 987 CA PRO A 76 4.874 8.364 -8.830 1.00 0.00 C ATOM 988 C PRO A 76 5.270 7.531 -10.057 1.00 0.00 C ATOM 989 O PRO A 76 4.694 7.760 -11.148 1.00 0.00 O ATOM 990 CB PRO A 76 5.976 9.331 -8.384 1.00 0.00 C ATOM 991 CG PRO A 76 6.811 8.499 -7.411 1.00 0.00 C ATOM 992 CD PRO A 76 5.773 7.592 -6.750 1.00 0.00 C ATOM 0 HA PRO A 76 3.981 8.897 -9.156 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.571 9.678 -9.229 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.562 10.216 -7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.578 7.923 -7.929 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.322 9.126 -6.680 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.184 6.597 -6.577 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.477 7.988 -5.779 1.00 0.00 H new