USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 372 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.267 K(o=-0.27,f=-3.1!) USER MOD Single : A 8 THR OG1 : rot -143:sc= 0.585 USER MOD Single : A 9 SER OG : rot -63:sc= 0.383 USER MOD Single : A 12 SER OG : rot 180:sc= -0.585 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 19 TYR OH : rot -168:sc= 0.0703 USER MOD Single : A 21 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.38) USER MOD Single : B 24 ASN : amide:sc= -4.77! C(o=-4.8!,f=-5.9!) USER MOD Single : B 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 26 HIS : no HD1:sc= -5.15! C(o=-5.2!,f=-6.7!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 THR OG1 : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 180:sc= 0.0162 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.041 7.509 9.542 1.00 0.00 N ATOM 2 CA GLY A 1 -3.373 7.116 8.103 1.00 0.00 C ATOM 3 C GLY A 1 -2.264 6.785 7.162 1.00 0.00 C ATOM 4 O GLY A 1 -1.109 7.044 7.435 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.921 7.706 10.060 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.533 6.729 10.006 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.442 8.359 9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.036 6.252 8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.943 7.935 7.663 1.00 0.00 H new ATOM 10 N ILE A 2 -2.580 6.208 6.034 1.00 0.00 N ATOM 11 CA ILE A 2 -1.514 5.854 5.055 1.00 0.00 C ATOM 12 C ILE A 2 -1.498 6.880 3.920 1.00 0.00 C ATOM 13 O ILE A 2 -0.456 7.355 3.514 1.00 0.00 O ATOM 14 CB ILE A 2 -1.792 4.468 4.476 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.025 3.478 5.620 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.592 4.016 3.641 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.993 2.051 5.075 1.00 0.00 C ATOM 0 H ILE A 2 -3.529 5.967 5.749 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.548 5.853 5.560 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.679 4.506 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.259 3.603 6.385 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.986 3.675 6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.789 3.027 3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.427 4.723 2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.296 3.975 4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.159 1.346 5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.775 1.930 4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.022 1.857 4.620 1.00 0.00 H new ATOM 29 N VAL A 3 -2.644 7.221 3.400 1.00 0.00 N ATOM 30 CA VAL A 3 -2.691 8.210 2.287 1.00 0.00 C ATOM 31 C VAL A 3 -1.869 9.444 2.659 1.00 0.00 C ATOM 32 O VAL A 3 -1.249 10.068 1.823 1.00 0.00 O ATOM 33 CB VAL A 3 -4.144 8.618 2.027 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.027 7.369 1.990 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.623 9.547 3.146 1.00 0.00 C ATOM 0 H VAL A 3 -3.550 6.858 3.697 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.274 7.760 1.386 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.208 9.137 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.061 7.660 1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.688 6.707 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.962 6.849 2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.657 9.837 2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.558 9.028 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.996 10.438 3.173 1.00 0.00 H new ATOM 45 N GLU A 4 -1.866 9.800 3.908 1.00 0.00 N ATOM 46 CA GLU A 4 -1.093 10.998 4.343 1.00 0.00 C ATOM 47 C GLU A 4 0.395 10.654 4.426 1.00 0.00 C ATOM 48 O GLU A 4 1.229 11.512 4.636 1.00 0.00 O ATOM 49 CB GLU A 4 -1.587 11.448 5.720 1.00 0.00 C ATOM 50 CG GLU A 4 -3.082 11.147 5.853 1.00 0.00 C ATOM 51 CD GLU A 4 -3.734 12.187 6.767 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.169 13.258 6.911 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.789 11.894 7.306 1.00 0.00 O ATOM 0 H GLU A 4 -2.366 9.314 4.652 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.237 11.801 3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.031 10.933 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.408 12.515 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.555 11.163 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.227 10.147 6.261 1.00 0.00 H new ATOM 60 N GLN A 5 0.737 9.405 4.272 1.00 0.00 N ATOM 61 CA GLN A 5 2.173 9.015 4.353 1.00 0.00 C ATOM 62 C GLN A 5 2.715 8.706 2.955 1.00 0.00 C ATOM 63 O GLN A 5 3.832 9.053 2.623 1.00 0.00 O ATOM 64 CB GLN A 5 2.314 7.776 5.238 1.00 0.00 C ATOM 65 CG GLN A 5 3.421 8.009 6.268 1.00 0.00 C ATOM 66 CD GLN A 5 4.199 6.710 6.482 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.201 5.842 5.631 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.866 6.537 7.590 1.00 0.00 N ATOM 0 H GLN A 5 0.087 8.639 4.094 1.00 0.00 H new ATOM 0 HA GLN A 5 2.742 9.840 4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.371 7.567 5.743 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.548 6.904 4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.093 8.795 5.924 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.990 8.347 7.211 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.865 7.265 8.305 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.388 5.674 7.741 1.00 0.00 H new ATOM 77 N CYS A 6 1.945 8.041 2.138 1.00 0.00 N ATOM 78 CA CYS A 6 2.434 7.696 0.772 1.00 0.00 C ATOM 79 C CYS A 6 1.870 8.673 -0.262 1.00 0.00 C ATOM 80 O CYS A 6 2.525 9.003 -1.230 1.00 0.00 O ATOM 81 CB CYS A 6 1.994 6.276 0.422 1.00 0.00 C ATOM 82 SG CYS A 6 2.648 5.126 1.656 1.00 0.00 S ATOM 0 H CYS A 6 1.001 7.722 2.356 1.00 0.00 H new ATOM 0 HA CYS A 6 3.522 7.762 0.760 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.906 6.217 0.394 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.354 6.006 -0.571 1.00 0.00 H new ATOM 87 N CYS A 7 0.664 9.136 -0.081 1.00 0.00 N ATOM 88 CA CYS A 7 0.090 10.084 -1.077 1.00 0.00 C ATOM 89 C CYS A 7 0.780 11.442 -0.949 1.00 0.00 C ATOM 90 O CYS A 7 1.069 12.093 -1.929 1.00 0.00 O ATOM 91 CB CYS A 7 -1.404 10.267 -0.830 1.00 0.00 C ATOM 92 SG CYS A 7 -2.182 10.900 -2.336 1.00 0.00 S ATOM 0 H CYS A 7 0.057 8.902 0.704 1.00 0.00 H new ATOM 0 HA CYS A 7 0.246 9.677 -2.076 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.857 9.318 -0.544 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.566 10.959 -0.004 1.00 0.00 H new ATOM 97 N THR A 8 1.040 11.879 0.253 1.00 0.00 N ATOM 98 CA THR A 8 1.711 13.197 0.435 1.00 0.00 C ATOM 99 C THR A 8 3.206 13.041 0.153 1.00 0.00 C ATOM 100 O THR A 8 3.859 13.949 -0.322 1.00 0.00 O ATOM 101 CB THR A 8 1.510 13.685 1.873 1.00 0.00 C ATOM 102 OG1 THR A 8 1.991 12.699 2.777 1.00 0.00 O ATOM 103 CG2 THR A 8 0.022 13.932 2.130 1.00 0.00 C ATOM 0 H THR A 8 0.817 11.381 1.115 1.00 0.00 H new ATOM 0 HA THR A 8 1.280 13.924 -0.253 1.00 0.00 H new ATOM 0 HB THR A 8 2.060 14.615 2.020 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.413 12.671 3.568 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.118 14.279 3.154 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.346 14.688 1.437 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.532 13.005 1.983 1.00 0.00 H new ATOM 111 N SER A 9 3.751 11.891 0.444 1.00 0.00 N ATOM 112 CA SER A 9 5.203 11.666 0.197 1.00 0.00 C ATOM 113 C SER A 9 5.386 10.432 -0.690 1.00 0.00 C ATOM 114 O SER A 9 4.543 10.108 -1.502 1.00 0.00 O ATOM 115 CB SER A 9 5.915 11.442 1.532 1.00 0.00 C ATOM 116 OG SER A 9 5.936 10.050 1.822 1.00 0.00 O ATOM 0 H SER A 9 3.252 11.096 0.843 1.00 0.00 H new ATOM 0 HA SER A 9 5.626 12.538 -0.302 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.932 11.831 1.485 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.402 11.984 2.327 1.00 0.00 H new ATOM 0 HG SER A 9 5.018 9.724 1.929 1.00 0.00 H new ATOM 122 N ILE A 10 6.481 9.740 -0.539 1.00 0.00 N ATOM 123 CA ILE A 10 6.716 8.527 -1.370 1.00 0.00 C ATOM 124 C ILE A 10 7.197 7.388 -0.470 1.00 0.00 C ATOM 125 O ILE A 10 8.283 7.431 0.074 1.00 0.00 O ATOM 126 CB ILE A 10 7.779 8.828 -2.428 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.599 10.260 -2.939 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.628 7.854 -3.596 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.280 10.366 -3.707 1.00 0.00 C ATOM 0 H ILE A 10 7.223 9.962 0.124 1.00 0.00 H new ATOM 0 HA ILE A 10 5.789 8.237 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 10 8.769 8.718 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.602 10.959 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.432 10.534 -3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.386 8.069 -4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.753 6.833 -3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.637 7.965 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.152 11.385 -4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.295 9.678 -4.552 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.452 10.110 -3.046 1.00 0.00 H new ATOM 141 N CYS A 11 6.396 6.370 -0.303 1.00 0.00 N ATOM 142 CA CYS A 11 6.809 5.233 0.568 1.00 0.00 C ATOM 143 C CYS A 11 7.613 4.222 -0.252 1.00 0.00 C ATOM 144 O CYS A 11 7.686 4.306 -1.462 1.00 0.00 O ATOM 145 CB CYS A 11 5.567 4.550 1.139 1.00 0.00 C ATOM 146 SG CYS A 11 4.533 5.775 1.977 1.00 0.00 S ATOM 0 H CYS A 11 5.475 6.277 -0.732 1.00 0.00 H new ATOM 0 HA CYS A 11 7.426 5.610 1.384 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.004 4.070 0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.859 3.766 1.838 1.00 0.00 H new ATOM 151 N SER A 12 8.216 3.267 0.401 1.00 0.00 N ATOM 152 CA SER A 12 9.016 2.247 -0.332 1.00 0.00 C ATOM 153 C SER A 12 8.213 0.946 -0.431 1.00 0.00 C ATOM 154 O SER A 12 7.541 0.550 0.500 1.00 0.00 O ATOM 155 CB SER A 12 10.321 1.987 0.425 1.00 0.00 C ATOM 156 OG SER A 12 10.033 1.297 1.635 1.00 0.00 O ATOM 0 H SER A 12 8.189 3.149 1.414 1.00 0.00 H new ATOM 0 HA SER A 12 9.243 2.610 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.001 1.397 -0.190 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.823 2.930 0.641 1.00 0.00 H new ATOM 0 HG SER A 12 10.867 1.127 2.121 1.00 0.00 H new ATOM 162 N LEU A 13 8.272 0.280 -1.554 1.00 0.00 N ATOM 163 CA LEU A 13 7.507 -0.991 -1.710 1.00 0.00 C ATOM 164 C LEU A 13 7.642 -1.834 -0.440 1.00 0.00 C ATOM 165 O LEU A 13 6.746 -2.570 -0.075 1.00 0.00 O ATOM 166 CB LEU A 13 8.054 -1.777 -2.904 1.00 0.00 C ATOM 167 CG LEU A 13 7.005 -2.786 -3.375 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.816 -2.657 -4.888 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.475 -4.203 -3.039 1.00 0.00 C ATOM 0 H LEU A 13 8.817 0.561 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 13 6.456 -0.758 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.309 -1.095 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.971 -2.294 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 13 6.058 -2.588 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.069 -3.376 -5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.482 -1.648 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.762 -2.856 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.728 -4.923 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.422 -4.401 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.610 -4.296 -1.961 1.00 0.00 H new ATOM 181 N TYR A 14 8.752 -1.734 0.237 1.00 0.00 N ATOM 182 CA TYR A 14 8.936 -2.531 1.483 1.00 0.00 C ATOM 183 C TYR A 14 7.895 -2.102 2.518 1.00 0.00 C ATOM 184 O TYR A 14 7.191 -2.918 3.079 1.00 0.00 O ATOM 185 CB TYR A 14 10.341 -2.294 2.040 1.00 0.00 C ATOM 186 CG TYR A 14 11.380 -2.789 1.006 1.00 0.00 C ATOM 187 CD1 TYR A 14 11.278 -4.088 0.443 1.00 0.00 C ATOM 188 CD2 TYR A 14 12.448 -1.959 0.593 1.00 0.00 C ATOM 189 CE1 TYR A 14 12.219 -4.530 -0.494 1.00 0.00 C ATOM 190 CE2 TYR A 14 13.381 -2.416 -0.347 1.00 0.00 C ATOM 191 CZ TYR A 14 13.267 -3.698 -0.887 1.00 0.00 C ATOM 192 OH TYR A 14 14.190 -4.142 -1.812 1.00 0.00 O ATOM 0 H TYR A 14 9.538 -1.136 -0.017 1.00 0.00 H new ATOM 0 HA TYR A 14 8.811 -3.590 1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.491 -1.234 2.247 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.467 -2.824 2.984 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.469 -4.739 0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.545 -0.966 1.005 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.133 -5.521 -0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.192 -1.773 -0.655 1.00 0.00 H new ATOM 0 HH TYR A 14 14.853 -3.439 -1.976 1.00 0.00 H new ATOM 202 N GLN A 15 7.786 -0.826 2.771 1.00 0.00 N ATOM 203 CA GLN A 15 6.784 -0.349 3.766 1.00 0.00 C ATOM 204 C GLN A 15 5.391 -0.809 3.332 1.00 0.00 C ATOM 205 O GLN A 15 4.566 -1.178 4.144 1.00 0.00 O ATOM 206 CB GLN A 15 6.821 1.179 3.839 1.00 0.00 C ATOM 207 CG GLN A 15 8.274 1.651 3.932 1.00 0.00 C ATOM 208 CD GLN A 15 8.523 2.277 5.306 1.00 0.00 C ATOM 209 OE1 GLN A 15 9.223 1.716 6.124 1.00 0.00 O ATOM 210 NE2 GLN A 15 7.973 3.425 5.596 1.00 0.00 N ATOM 0 H GLN A 15 8.346 -0.095 2.333 1.00 0.00 H new ATOM 0 HA GLN A 15 7.017 -0.760 4.748 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.344 1.607 2.957 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.259 1.526 4.706 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.951 0.811 3.776 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.482 2.378 3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.385 3.897 4.909 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.132 3.850 6.510 1.00 0.00 H new ATOM 219 N LEU A 16 5.127 -0.799 2.053 1.00 0.00 N ATOM 220 CA LEU A 16 3.793 -1.246 1.564 1.00 0.00 C ATOM 221 C LEU A 16 3.625 -2.730 1.876 1.00 0.00 C ATOM 222 O LEU A 16 2.562 -3.180 2.254 1.00 0.00 O ATOM 223 CB LEU A 16 3.702 -1.031 0.050 1.00 0.00 C ATOM 224 CG LEU A 16 3.359 0.430 -0.243 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.634 1.273 -0.197 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.731 0.534 -1.635 1.00 0.00 C ATOM 0 H LEU A 16 5.778 -0.501 1.327 1.00 0.00 H new ATOM 0 HA LEU A 16 3.009 -0.671 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.649 -1.294 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.941 -1.686 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 16 2.655 0.795 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.389 2.314 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.085 1.198 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.338 0.909 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.485 1.575 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.437 0.169 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.823 -0.068 -1.670 1.00 0.00 H new ATOM 238 N GLU A 17 4.670 -3.494 1.730 1.00 0.00 N ATOM 239 CA GLU A 17 4.573 -4.941 2.028 1.00 0.00 C ATOM 240 C GLU A 17 4.138 -5.112 3.483 1.00 0.00 C ATOM 241 O GLU A 17 3.531 -6.099 3.851 1.00 0.00 O ATOM 242 CB GLU A 17 5.939 -5.588 1.808 1.00 0.00 C ATOM 243 CG GLU A 17 6.046 -6.063 0.357 1.00 0.00 C ATOM 244 CD GLU A 17 6.297 -7.572 0.326 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.648 -8.276 1.081 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.133 -7.996 -0.455 1.00 0.00 O ATOM 0 H GLU A 17 5.587 -3.175 1.417 1.00 0.00 H new ATOM 0 HA GLU A 17 3.844 -5.418 1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.732 -4.874 2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.070 -6.429 2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.129 -5.826 -0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.857 -5.539 -0.148 1.00 0.00 H new ATOM 253 N ASN A 18 4.432 -4.147 4.312 1.00 0.00 N ATOM 254 CA ASN A 18 4.023 -4.243 5.740 1.00 0.00 C ATOM 255 C ASN A 18 2.522 -3.982 5.844 1.00 0.00 C ATOM 256 O ASN A 18 1.841 -4.537 6.684 1.00 0.00 O ATOM 257 CB ASN A 18 4.780 -3.199 6.563 1.00 0.00 C ATOM 258 CG ASN A 18 6.191 -3.709 6.858 1.00 0.00 C ATOM 259 OD1 ASN A 18 6.748 -4.467 6.091 1.00 0.00 O ATOM 260 ND2 ASN A 18 6.796 -3.320 7.947 1.00 0.00 N ATOM 0 H ASN A 18 4.937 -3.297 4.061 1.00 0.00 H new ATOM 0 HA ASN A 18 4.254 -5.237 6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.829 -2.256 6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.251 -3.001 7.495 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.738 -3.653 8.154 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.327 -2.683 8.591 1.00 0.00 H new ATOM 267 N TYR A 19 1.998 -3.142 4.992 1.00 0.00 N ATOM 268 CA TYR A 19 0.540 -2.849 5.039 1.00 0.00 C ATOM 269 C TYR A 19 -0.242 -4.155 4.876 1.00 0.00 C ATOM 270 O TYR A 19 -1.396 -4.249 5.243 1.00 0.00 O ATOM 271 CB TYR A 19 0.177 -1.887 3.905 1.00 0.00 C ATOM 272 CG TYR A 19 1.110 -0.637 3.989 1.00 0.00 C ATOM 273 CD1 TYR A 19 1.983 -0.444 5.103 1.00 0.00 C ATOM 274 CD2 TYR A 19 1.123 0.341 2.963 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.817 0.679 5.166 1.00 0.00 C ATOM 276 CE2 TYR A 19 1.965 1.456 3.046 1.00 0.00 C ATOM 277 CZ TYR A 19 2.808 1.625 4.143 1.00 0.00 C ATOM 278 OH TYR A 19 3.633 2.729 4.215 1.00 0.00 O ATOM 0 H TYR A 19 2.518 -2.647 4.267 1.00 0.00 H new ATOM 0 HA TYR A 19 0.288 -2.390 5.995 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.292 -2.380 2.940 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.867 -1.585 3.986 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.000 -1.170 5.903 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.475 0.224 2.107 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.472 0.813 6.014 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.961 2.191 2.254 1.00 0.00 H new ATOM 0 HH TYR A 19 3.372 3.378 3.529 1.00 0.00 H new ATOM 288 N CYS A 20 0.381 -5.166 4.331 1.00 0.00 N ATOM 289 CA CYS A 20 -0.327 -6.465 4.149 1.00 0.00 C ATOM 290 C CYS A 20 -0.168 -7.315 5.411 1.00 0.00 C ATOM 291 O CYS A 20 0.210 -8.468 5.351 1.00 0.00 O ATOM 292 CB CYS A 20 0.272 -7.215 2.957 1.00 0.00 C ATOM 293 SG CYS A 20 -0.098 -6.317 1.429 1.00 0.00 S ATOM 0 H CYS A 20 1.347 -5.148 4.005 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.385 -6.275 3.966 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.350 -7.314 3.081 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.137 -8.224 2.906 1.00 0.00 H new ATOM 298 N ASN A 21 -0.455 -6.756 6.555 1.00 0.00 N ATOM 299 CA ASN A 21 -0.320 -7.535 7.818 1.00 0.00 C ATOM 300 C ASN A 21 -1.692 -7.676 8.482 1.00 0.00 C ATOM 301 O ASN A 21 -2.475 -8.486 8.013 1.00 0.00 O ATOM 302 CB ASN A 21 0.635 -6.809 8.769 1.00 0.00 C ATOM 303 CG ASN A 21 0.652 -7.526 10.119 1.00 0.00 C ATOM 304 OD1 ASN A 21 0.422 -6.919 11.146 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.917 -8.803 10.161 1.00 0.00 N ATOM 306 OXT ASN A 21 -1.936 -6.973 9.448 1.00 0.00 O ATOM 0 H ASN A 21 -0.777 -5.795 6.669 1.00 0.00 H new ATOM 0 HA ASN A 21 0.077 -8.524 7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.639 -6.785 8.345 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.319 -5.774 8.899 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.931 -9.292 11.056 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.110 -9.312 9.299 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 12.249 0.564 -8.597 1.00 0.00 N ATOM 315 CA PHE B 22 10.989 -0.211 -8.405 1.00 0.00 C ATOM 316 C PHE B 22 10.042 0.567 -7.501 1.00 0.00 C ATOM 317 O PHE B 22 9.279 -0.001 -6.745 1.00 0.00 O ATOM 318 CB PHE B 22 11.311 -1.569 -7.774 1.00 0.00 C ATOM 319 CG PHE B 22 10.183 -2.536 -8.050 1.00 0.00 C ATOM 320 CD1 PHE B 22 9.873 -2.894 -9.368 1.00 0.00 C ATOM 321 CD2 PHE B 22 9.448 -3.077 -6.986 1.00 0.00 C ATOM 322 CE1 PHE B 22 8.828 -3.792 -9.624 1.00 0.00 C ATOM 323 CE2 PHE B 22 8.402 -3.974 -7.241 1.00 0.00 C ATOM 324 CZ PHE B 22 8.092 -4.332 -8.560 1.00 0.00 C ATOM 0 HA PHE B 22 10.511 -0.370 -9.372 1.00 0.00 H new ATOM 0 HB2 PHE B 22 12.245 -1.958 -8.180 1.00 0.00 H new ATOM 0 HB3 PHE B 22 11.453 -1.457 -6.699 1.00 0.00 H new ATOM 0 HD1 PHE B 22 10.440 -2.478 -10.188 1.00 0.00 H new ATOM 0 HD2 PHE B 22 9.688 -2.802 -5.969 1.00 0.00 H new ATOM 0 HE1 PHE B 22 8.590 -4.068 -10.641 1.00 0.00 H new ATOM 0 HE2 PHE B 22 7.835 -4.389 -6.421 1.00 0.00 H new ATOM 0 HZ PHE B 22 7.286 -5.024 -8.757 1.00 0.00 H new ATOM 336 N VAL B 23 10.084 1.864 -7.574 1.00 0.00 N ATOM 337 CA VAL B 23 9.186 2.677 -6.721 1.00 0.00 C ATOM 338 C VAL B 23 9.083 4.097 -7.284 1.00 0.00 C ATOM 339 O VAL B 23 9.251 4.325 -8.466 1.00 0.00 O ATOM 340 CB VAL B 23 9.746 2.683 -5.296 1.00 0.00 C ATOM 341 CG1 VAL B 23 10.777 3.799 -5.139 1.00 0.00 C ATOM 342 CG2 VAL B 23 8.601 2.877 -4.302 1.00 0.00 C ATOM 0 H VAL B 23 10.702 2.395 -8.188 1.00 0.00 H new ATOM 0 HA VAL B 23 8.182 2.252 -6.707 1.00 0.00 H new ATOM 0 HB VAL B 23 10.237 1.730 -5.098 1.00 0.00 H new ATOM 0 HG11 VAL B 23 11.168 3.793 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.594 3.641 -5.843 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.306 4.761 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL B 23 8.997 2.882 -3.287 1.00 0.00 H new ATOM 0 HG22 VAL B 23 8.103 3.826 -4.501 1.00 0.00 H new ATOM 0 HG23 VAL B 23 7.885 2.062 -4.408 1.00 0.00 H new ATOM 352 N ASN B 24 8.800 5.041 -6.438 1.00 0.00 N ATOM 353 CA ASN B 24 8.670 6.462 -6.884 1.00 0.00 C ATOM 354 C ASN B 24 7.276 6.686 -7.466 1.00 0.00 C ATOM 355 O ASN B 24 7.125 7.119 -8.592 1.00 0.00 O ATOM 356 CB ASN B 24 9.720 6.781 -7.952 1.00 0.00 C ATOM 357 CG ASN B 24 11.035 6.080 -7.609 1.00 0.00 C ATOM 358 OD1 ASN B 24 11.537 6.207 -6.510 1.00 0.00 O ATOM 359 ND2 ASN B 24 11.618 5.340 -8.512 1.00 0.00 N ATOM 0 H ASN B 24 8.650 4.892 -5.440 1.00 0.00 H new ATOM 0 HA ASN B 24 8.824 7.117 -6.026 1.00 0.00 H new ATOM 0 HB2 ASN B 24 9.368 6.455 -8.931 1.00 0.00 H new ATOM 0 HB3 ASN B 24 9.876 7.858 -8.012 1.00 0.00 H new ATOM 0 HD21 ASN B 24 12.496 4.868 -8.295 1.00 0.00 H new ATOM 0 HD22 ASN B 24 11.196 5.234 -9.434 1.00 0.00 H new ATOM 366 N GLN B 25 6.254 6.395 -6.710 1.00 0.00 N ATOM 367 CA GLN B 25 4.870 6.593 -7.224 1.00 0.00 C ATOM 368 C GLN B 25 4.067 7.431 -6.228 1.00 0.00 C ATOM 369 O GLN B 25 4.467 7.625 -5.098 1.00 0.00 O ATOM 370 CB GLN B 25 4.191 5.234 -7.404 1.00 0.00 C ATOM 371 CG GLN B 25 4.224 4.839 -8.881 1.00 0.00 C ATOM 372 CD GLN B 25 4.923 3.486 -9.033 1.00 0.00 C ATOM 373 OE1 GLN B 25 5.984 3.400 -9.617 1.00 0.00 O ATOM 374 NE2 GLN B 25 4.367 2.419 -8.528 1.00 0.00 N ATOM 0 H GLN B 25 6.317 6.029 -5.760 1.00 0.00 H new ATOM 0 HA GLN B 25 4.913 7.110 -8.183 1.00 0.00 H new ATOM 0 HB2 GLN B 25 4.699 4.479 -6.803 1.00 0.00 H new ATOM 0 HB3 GLN B 25 3.160 5.281 -7.052 1.00 0.00 H new ATOM 0 HG2 GLN B 25 3.210 4.782 -9.276 1.00 0.00 H new ATOM 0 HG3 GLN B 25 4.749 5.599 -9.460 1.00 0.00 H new ATOM 0 HE21 GLN B 25 3.476 2.492 -8.037 1.00 0.00 H new ATOM 0 HE22 GLN B 25 4.824 1.512 -8.624 1.00 0.00 H new ATOM 383 N HIS B 26 2.933 7.924 -6.639 1.00 0.00 N ATOM 384 CA HIS B 26 2.096 8.742 -5.719 1.00 0.00 C ATOM 385 C HIS B 26 0.709 8.093 -5.683 1.00 0.00 C ATOM 386 O HIS B 26 0.275 7.524 -6.664 1.00 0.00 O ATOM 387 CB HIS B 26 1.997 10.165 -6.272 1.00 0.00 C ATOM 388 CG HIS B 26 2.229 11.156 -5.167 1.00 0.00 C ATOM 389 ND1 HIS B 26 3.153 10.910 -4.174 1.00 0.00 N ATOM 390 CD2 HIS B 26 1.705 12.399 -4.939 1.00 0.00 C ATOM 391 CE1 HIS B 26 3.170 11.992 -3.386 1.00 0.00 C ATOM 392 NE2 HIS B 26 2.301 12.931 -3.815 1.00 0.00 N ATOM 0 H HIS B 26 2.549 7.795 -7.575 1.00 0.00 H new ATOM 0 HA HIS B 26 2.523 8.787 -4.717 1.00 0.00 H new ATOM 0 HB2 HIS B 26 2.732 10.310 -7.063 1.00 0.00 H new ATOM 0 HB3 HIS B 26 1.015 10.325 -6.717 1.00 0.00 H new ATOM 0 HD2 HIS B 26 0.950 12.883 -5.540 1.00 0.00 H new ATOM 0 HE1 HIS B 26 3.800 12.100 -2.516 1.00 0.00 H new ATOM 0 HE2 HIS B 26 2.122 13.843 -3.396 1.00 0.00 H new ATOM 400 N LEU B 27 0.010 8.130 -4.579 1.00 0.00 N ATOM 401 CA LEU B 27 -1.326 7.457 -4.568 1.00 0.00 C ATOM 402 C LEU B 27 -2.225 7.948 -3.430 1.00 0.00 C ATOM 403 O LEU B 27 -1.785 8.220 -2.334 1.00 0.00 O ATOM 404 CB LEU B 27 -1.144 5.943 -4.411 1.00 0.00 C ATOM 405 CG LEU B 27 0.269 5.601 -3.916 1.00 0.00 C ATOM 406 CD1 LEU B 27 0.620 6.411 -2.666 1.00 0.00 C ATOM 407 CD2 LEU B 27 0.314 4.121 -3.562 1.00 0.00 C ATOM 0 H LEU B 27 0.292 8.581 -3.709 1.00 0.00 H new ATOM 0 HA LEU B 27 -1.806 7.702 -5.515 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -1.882 5.557 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -1.326 5.451 -5.367 1.00 0.00 H new ATOM 0 HG LEU B 27 0.985 5.839 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU B 27 1.625 6.151 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU B 27 0.578 7.475 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -0.093 6.184 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU B 27 1.312 3.862 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -0.414 3.912 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU B 27 0.077 3.528 -4.445 1.00 0.00 H new ATOM 419 N CYS B 28 -3.503 8.017 -3.689 1.00 0.00 N ATOM 420 CA CYS B 28 -4.470 8.442 -2.641 1.00 0.00 C ATOM 421 C CYS B 28 -5.670 7.487 -2.636 1.00 0.00 C ATOM 422 O CYS B 28 -5.987 6.868 -3.633 1.00 0.00 O ATOM 423 CB CYS B 28 -4.966 9.862 -2.932 1.00 0.00 C ATOM 424 SG CYS B 28 -4.132 11.048 -1.848 1.00 0.00 S ATOM 0 H CYS B 28 -3.921 7.794 -4.592 1.00 0.00 H new ATOM 0 HA CYS B 28 -3.973 8.422 -1.671 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -4.776 10.115 -3.975 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -6.044 9.917 -2.782 1.00 0.00 H new ATOM 429 N GLY B 29 -6.342 7.384 -1.518 1.00 0.00 N ATOM 430 CA GLY B 29 -7.540 6.493 -1.415 1.00 0.00 C ATOM 431 C GLY B 29 -7.375 5.235 -2.276 1.00 0.00 C ATOM 432 O GLY B 29 -6.414 4.502 -2.152 1.00 0.00 O ATOM 0 H GLY B 29 -6.109 7.885 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -7.694 6.206 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -8.429 7.038 -1.731 1.00 0.00 H new ATOM 436 N SER B 30 -8.327 4.978 -3.136 1.00 0.00 N ATOM 437 CA SER B 30 -8.268 3.764 -4.005 1.00 0.00 C ATOM 438 C SER B 30 -6.838 3.510 -4.483 1.00 0.00 C ATOM 439 O SER B 30 -6.246 2.497 -4.169 1.00 0.00 O ATOM 440 CB SER B 30 -9.172 3.967 -5.221 1.00 0.00 C ATOM 441 OG SER B 30 -10.150 2.936 -5.256 1.00 0.00 O ATOM 0 H SER B 30 -9.151 5.563 -3.275 1.00 0.00 H new ATOM 0 HA SER B 30 -8.604 2.905 -3.424 1.00 0.00 H new ATOM 0 HB2 SER B 30 -9.656 4.942 -5.170 1.00 0.00 H new ATOM 0 HB3 SER B 30 -8.579 3.953 -6.136 1.00 0.00 H new ATOM 0 HG SER B 30 -10.733 3.064 -6.034 1.00 0.00 H new ATOM 447 N ASP B 31 -6.285 4.411 -5.252 1.00 0.00 N ATOM 448 CA ASP B 31 -4.898 4.208 -5.760 1.00 0.00 C ATOM 449 C ASP B 31 -4.028 3.635 -4.642 1.00 0.00 C ATOM 450 O ASP B 31 -3.121 2.863 -4.882 1.00 0.00 O ATOM 451 CB ASP B 31 -4.322 5.544 -6.225 1.00 0.00 C ATOM 452 CG ASP B 31 -5.368 6.288 -7.056 1.00 0.00 C ATOM 453 OD1 ASP B 31 -6.066 5.636 -7.815 1.00 0.00 O ATOM 454 OD2 ASP B 31 -5.456 7.497 -6.917 1.00 0.00 O ATOM 0 H ASP B 31 -6.734 5.277 -5.549 1.00 0.00 H new ATOM 0 HA ASP B 31 -4.916 3.513 -6.599 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -4.030 6.146 -5.364 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -3.422 5.378 -6.817 1.00 0.00 H new ATOM 459 N LEU B 32 -4.308 3.993 -3.419 1.00 0.00 N ATOM 460 CA LEU B 32 -3.505 3.451 -2.290 1.00 0.00 C ATOM 461 C LEU B 32 -3.809 1.960 -2.140 1.00 0.00 C ATOM 462 O LEU B 32 -2.994 1.118 -2.461 1.00 0.00 O ATOM 463 CB LEU B 32 -3.871 4.181 -0.996 1.00 0.00 C ATOM 464 CG LEU B 32 -2.596 4.486 -0.206 1.00 0.00 C ATOM 465 CD1 LEU B 32 -2.094 5.885 -0.565 1.00 0.00 C ATOM 466 CD2 LEU B 32 -2.898 4.424 1.293 1.00 0.00 C ATOM 0 H LEU B 32 -5.055 4.635 -3.155 1.00 0.00 H new ATOM 0 HA LEU B 32 -2.444 3.596 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -4.400 5.106 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -4.545 3.568 -0.398 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.831 3.750 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -1.186 6.101 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.879 5.931 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.859 6.621 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -1.990 4.641 1.856 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -3.663 5.159 1.541 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -3.256 3.427 1.551 1.00 0.00 H new ATOM 478 N VAL B 33 -4.981 1.626 -1.664 1.00 0.00 N ATOM 479 CA VAL B 33 -5.339 0.188 -1.504 1.00 0.00 C ATOM 480 C VAL B 33 -4.884 -0.585 -2.740 1.00 0.00 C ATOM 481 O VAL B 33 -4.397 -1.695 -2.647 1.00 0.00 O ATOM 482 CB VAL B 33 -6.855 0.048 -1.351 1.00 0.00 C ATOM 483 CG1 VAL B 33 -7.298 0.700 -0.043 1.00 0.00 C ATOM 484 CG2 VAL B 33 -7.553 0.737 -2.525 1.00 0.00 C ATOM 0 H VAL B 33 -5.704 2.287 -1.380 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.847 -0.211 -0.617 1.00 0.00 H new ATOM 0 HB VAL B 33 -7.122 -1.009 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -8.378 0.600 0.066 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -6.802 0.209 0.794 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.031 1.757 -0.054 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -8.633 0.637 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -7.286 1.794 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -7.238 0.272 -3.459 1.00 0.00 H new ATOM 494 N GLU B 34 -5.030 -0.004 -3.898 1.00 0.00 N ATOM 495 CA GLU B 34 -4.596 -0.699 -5.136 1.00 0.00 C ATOM 496 C GLU B 34 -3.084 -0.917 -5.079 1.00 0.00 C ATOM 497 O GLU B 34 -2.596 -2.009 -5.285 1.00 0.00 O ATOM 498 CB GLU B 34 -4.944 0.164 -6.349 1.00 0.00 C ATOM 499 CG GLU B 34 -6.223 -0.362 -7.003 1.00 0.00 C ATOM 500 CD GLU B 34 -5.880 -1.016 -8.344 1.00 0.00 C ATOM 501 OE1 GLU B 34 -5.535 -0.291 -9.263 1.00 0.00 O ATOM 502 OE2 GLU B 34 -5.969 -2.230 -8.428 1.00 0.00 O ATOM 0 H GLU B 34 -5.432 0.923 -4.038 1.00 0.00 H new ATOM 0 HA GLU B 34 -5.103 -1.660 -5.220 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -5.080 1.201 -6.043 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -4.124 0.148 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -6.708 -1.085 -6.347 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -6.929 0.455 -7.155 1.00 0.00 H new ATOM 509 N ALA B 35 -2.341 0.119 -4.794 1.00 0.00 N ATOM 510 CA ALA B 35 -0.860 -0.022 -4.718 1.00 0.00 C ATOM 511 C ALA B 35 -0.505 -1.159 -3.756 1.00 0.00 C ATOM 512 O ALA B 35 0.156 -2.111 -4.122 1.00 0.00 O ATOM 513 CB ALA B 35 -0.252 1.287 -4.211 1.00 0.00 C ATOM 0 H ALA B 35 -2.697 1.057 -4.611 1.00 0.00 H new ATOM 0 HA ALA B 35 -0.463 -0.248 -5.707 1.00 0.00 H new ATOM 0 HB1 ALA B 35 0.832 1.187 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -0.506 2.096 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -0.648 1.512 -3.221 1.00 0.00 H new ATOM 519 N LEU B 36 -0.943 -1.075 -2.528 1.00 0.00 N ATOM 520 CA LEU B 36 -0.631 -2.164 -1.559 1.00 0.00 C ATOM 521 C LEU B 36 -1.140 -3.485 -2.133 1.00 0.00 C ATOM 522 O LEU B 36 -0.682 -4.554 -1.777 1.00 0.00 O ATOM 523 CB LEU B 36 -1.334 -1.894 -0.220 1.00 0.00 C ATOM 524 CG LEU B 36 -1.014 -0.483 0.305 1.00 0.00 C ATOM 525 CD1 LEU B 36 0.342 0.003 -0.218 1.00 0.00 C ATOM 526 CD2 LEU B 36 -2.105 0.487 -0.147 1.00 0.00 C ATOM 0 H LEU B 36 -1.499 -0.305 -2.156 1.00 0.00 H new ATOM 0 HA LEU B 36 0.445 -2.209 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -2.411 -2.002 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.021 -2.637 0.514 1.00 0.00 H new ATOM 0 HG LEU B 36 -0.973 -0.522 1.394 1.00 0.00 H new ATOM 0 HD11 LEU B 36 0.544 1.002 0.168 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.125 -0.679 0.113 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.323 0.032 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -1.880 1.487 0.224 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -2.147 0.505 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.067 0.162 0.248 1.00 0.00 H new ATOM 538 N TYR B 37 -2.089 -3.410 -3.023 1.00 0.00 N ATOM 539 CA TYR B 37 -2.648 -4.647 -3.635 1.00 0.00 C ATOM 540 C TYR B 37 -1.742 -5.104 -4.780 1.00 0.00 C ATOM 541 O TYR B 37 -1.830 -6.224 -5.243 1.00 0.00 O ATOM 542 CB TYR B 37 -4.054 -4.360 -4.170 1.00 0.00 C ATOM 543 CG TYR B 37 -4.499 -5.530 -5.082 1.00 0.00 C ATOM 544 CD1 TYR B 37 -4.401 -6.874 -4.638 1.00 0.00 C ATOM 545 CD2 TYR B 37 -5.004 -5.286 -6.381 1.00 0.00 C ATOM 546 CE1 TYR B 37 -4.801 -7.927 -5.471 1.00 0.00 C ATOM 547 CE2 TYR B 37 -5.399 -6.350 -7.201 1.00 0.00 C ATOM 548 CZ TYR B 37 -5.299 -7.665 -6.747 1.00 0.00 C ATOM 549 OH TYR B 37 -5.690 -8.707 -7.562 1.00 0.00 O ATOM 0 H TYR B 37 -2.504 -2.539 -3.355 1.00 0.00 H new ATOM 0 HA TYR B 37 -2.702 -5.434 -2.883 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -4.754 -4.241 -3.343 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -4.060 -3.424 -4.729 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -4.016 -7.087 -3.652 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -5.085 -4.272 -6.743 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -4.723 -8.947 -5.123 1.00 0.00 H new ATOM 0 HE2 TYR B 37 -5.783 -6.151 -8.191 1.00 0.00 H new ATOM 0 HH TYR B 37 -6.013 -8.351 -8.416 1.00 0.00 H new ATOM 559 N LEU B 38 -0.862 -4.252 -5.231 1.00 0.00 N ATOM 560 CA LEU B 38 0.057 -4.653 -6.335 1.00 0.00 C ATOM 561 C LEU B 38 1.266 -5.362 -5.726 1.00 0.00 C ATOM 562 O LEU B 38 1.696 -6.398 -6.193 1.00 0.00 O ATOM 563 CB LEU B 38 0.534 -3.421 -7.113 1.00 0.00 C ATOM 564 CG LEU B 38 -0.522 -2.320 -7.052 1.00 0.00 C ATOM 565 CD1 LEU B 38 -0.064 -1.124 -7.889 1.00 0.00 C ATOM 566 CD2 LEU B 38 -1.848 -2.843 -7.600 1.00 0.00 C ATOM 0 H LEU B 38 -0.740 -3.300 -4.885 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.471 -5.315 -7.021 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.473 -3.058 -6.695 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.730 -3.690 -8.151 1.00 0.00 H new ATOM 0 HG LEU B 38 -0.656 -2.011 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -0.819 -0.339 -7.845 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.879 -0.744 -7.495 1.00 0.00 H new ATOM 0 HD13 LEU B 38 0.075 -1.436 -8.924 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.598 -2.053 -7.554 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.715 -3.157 -8.635 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.179 -3.692 -7.003 1.00 0.00 H new ATOM 578 N VAL B 39 1.812 -4.807 -4.679 1.00 0.00 N ATOM 579 CA VAL B 39 2.988 -5.438 -4.023 1.00 0.00 C ATOM 580 C VAL B 39 2.554 -6.753 -3.370 1.00 0.00 C ATOM 581 O VAL B 39 3.357 -7.630 -3.119 1.00 0.00 O ATOM 582 CB VAL B 39 3.543 -4.484 -2.960 1.00 0.00 C ATOM 583 CG1 VAL B 39 3.569 -3.063 -3.526 1.00 0.00 C ATOM 584 CG2 VAL B 39 2.650 -4.514 -1.715 1.00 0.00 C ATOM 0 H VAL B 39 1.491 -3.939 -4.249 1.00 0.00 H new ATOM 0 HA VAL B 39 3.763 -5.643 -4.762 1.00 0.00 H new ATOM 0 HB VAL B 39 4.551 -4.796 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL B 39 3.963 -2.379 -2.774 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.205 -3.035 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL B 39 2.557 -2.761 -3.797 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.050 -3.834 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL B 39 1.640 -4.204 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.623 -5.526 -1.311 1.00 0.00 H new ATOM 594 N CYS B 40 1.285 -6.894 -3.097 1.00 0.00 N ATOM 595 CA CYS B 40 0.793 -8.149 -2.465 1.00 0.00 C ATOM 596 C CYS B 40 -0.110 -8.894 -3.452 1.00 0.00 C ATOM 597 O CYS B 40 -0.853 -9.781 -3.082 1.00 0.00 O ATOM 598 CB CYS B 40 -0.002 -7.802 -1.205 1.00 0.00 C ATOM 599 SG CYS B 40 1.123 -7.158 0.058 1.00 0.00 S ATOM 0 H CYS B 40 0.568 -6.193 -3.285 1.00 0.00 H new ATOM 0 HA CYS B 40 1.639 -8.782 -2.198 1.00 0.00 H new ATOM 0 HB2 CYS B 40 -0.768 -7.062 -1.437 1.00 0.00 H new ATOM 0 HB3 CYS B 40 -0.517 -8.687 -0.832 1.00 0.00 H new ATOM 604 N GLY B 41 -0.051 -8.539 -4.706 1.00 0.00 N ATOM 605 CA GLY B 41 -0.906 -9.223 -5.717 1.00 0.00 C ATOM 606 C GLY B 41 -0.875 -10.735 -5.479 1.00 0.00 C ATOM 607 O GLY B 41 -1.878 -11.411 -5.593 1.00 0.00 O ATOM 0 H GLY B 41 0.553 -7.804 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -1.930 -8.855 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -0.550 -8.996 -6.722 1.00 0.00 H new ATOM 611 N GLU B 42 0.269 -11.272 -5.151 1.00 0.00 N ATOM 612 CA GLU B 42 0.360 -12.739 -4.907 1.00 0.00 C ATOM 613 C GLU B 42 1.021 -12.989 -3.550 1.00 0.00 C ATOM 614 O GLU B 42 1.480 -14.076 -3.262 1.00 0.00 O ATOM 615 CB GLU B 42 1.199 -13.387 -6.011 1.00 0.00 C ATOM 616 CG GLU B 42 2.382 -12.480 -6.352 1.00 0.00 C ATOM 617 CD GLU B 42 2.049 -11.650 -7.594 1.00 0.00 C ATOM 618 OE1 GLU B 42 1.266 -12.120 -8.403 1.00 0.00 O ATOM 619 OE2 GLU B 42 2.583 -10.559 -7.715 1.00 0.00 O ATOM 0 H GLU B 42 1.143 -10.758 -5.042 1.00 0.00 H new ATOM 0 HA GLU B 42 -0.640 -13.172 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU B 42 1.558 -14.363 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU B 42 0.587 -13.553 -6.898 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.604 -11.823 -5.511 1.00 0.00 H new ATOM 0 HG3 GLU B 42 3.274 -13.080 -6.531 1.00 0.00 H new ATOM 626 N ARG B 43 1.073 -11.988 -2.715 1.00 0.00 N ATOM 627 CA ARG B 43 1.704 -12.163 -1.377 1.00 0.00 C ATOM 628 C ARG B 43 0.788 -11.573 -0.303 1.00 0.00 C ATOM 629 O ARG B 43 0.599 -10.376 -0.224 1.00 0.00 O ATOM 630 CB ARG B 43 3.052 -11.440 -1.350 1.00 0.00 C ATOM 631 CG ARG B 43 3.643 -11.508 0.060 1.00 0.00 C ATOM 632 CD ARG B 43 4.223 -12.902 0.304 1.00 0.00 C ATOM 633 NE ARG B 43 5.584 -12.776 0.896 1.00 0.00 N ATOM 634 CZ ARG B 43 5.725 -12.681 2.190 1.00 0.00 C ATOM 635 NH1 ARG B 43 5.279 -11.629 2.820 1.00 0.00 N ATOM 636 NH2 ARG B 43 6.308 -13.641 2.854 1.00 0.00 N ATOM 0 H ARG B 43 0.705 -11.055 -2.902 1.00 0.00 H new ATOM 0 HA ARG B 43 1.858 -13.224 -1.183 1.00 0.00 H new ATOM 0 HB2 ARG B 43 3.736 -11.898 -2.064 1.00 0.00 H new ATOM 0 HB3 ARG B 43 2.925 -10.400 -1.652 1.00 0.00 H new ATOM 0 HG2 ARG B 43 4.421 -10.753 0.176 1.00 0.00 H new ATOM 0 HG3 ARG B 43 2.873 -11.288 0.799 1.00 0.00 H new ATOM 0 HD2 ARG B 43 3.574 -13.466 0.974 1.00 0.00 H new ATOM 0 HD3 ARG B 43 4.272 -13.456 -0.633 1.00 0.00 H new ATOM 0 HE ARG B 43 6.405 -12.764 0.291 1.00 0.00 H new ATOM 0 HH11 ARG B 43 4.820 -10.880 2.301 1.00 0.00 H new ATOM 0 HH12 ARG B 43 5.389 -11.555 3.831 1.00 0.00 H new ATOM 0 HH21 ARG B 43 6.653 -14.465 2.362 1.00 0.00 H new ATOM 0 HH22 ARG B 43 6.419 -13.567 3.865 1.00 0.00 H new ATOM 650 N GLY B 44 0.217 -12.406 0.522 1.00 0.00 N ATOM 651 CA GLY B 44 -0.690 -11.896 1.590 1.00 0.00 C ATOM 652 C GLY B 44 -2.128 -11.874 1.070 1.00 0.00 C ATOM 653 O GLY B 44 -2.662 -12.881 0.649 1.00 0.00 O ATOM 0 H GLY B 44 0.339 -13.419 0.503 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -0.621 -12.530 2.474 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -0.386 -10.894 1.892 1.00 0.00 H new ATOM 657 N GLY B 45 -2.762 -10.733 1.095 1.00 0.00 N ATOM 658 CA GLY B 45 -4.165 -10.650 0.600 1.00 0.00 C ATOM 659 C GLY B 45 -5.116 -10.498 1.787 1.00 0.00 C ATOM 660 O GLY B 45 -6.182 -11.080 1.821 1.00 0.00 O ATOM 0 H GLY B 45 -2.369 -9.856 1.437 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -4.273 -9.803 -0.077 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -4.415 -11.546 0.032 1.00 0.00 H new ATOM 664 N PHE B 46 -4.739 -9.717 2.762 1.00 0.00 N ATOM 665 CA PHE B 46 -5.620 -9.524 3.947 1.00 0.00 C ATOM 666 C PHE B 46 -6.205 -8.110 3.924 1.00 0.00 C ATOM 667 O PHE B 46 -6.967 -7.730 4.791 1.00 0.00 O ATOM 668 CB PHE B 46 -4.801 -9.712 5.226 1.00 0.00 C ATOM 669 CG PHE B 46 -5.688 -9.331 6.452 1.00 0.00 C ATOM 670 CD1 PHE B 46 -6.951 -9.957 6.670 1.00 0.00 C ATOM 671 CD2 PHE B 46 -5.268 -8.345 7.383 1.00 0.00 C ATOM 672 CE1 PHE B 46 -7.739 -9.604 7.773 1.00 0.00 C ATOM 673 CE2 PHE B 46 -6.072 -8.010 8.480 1.00 0.00 C ATOM 674 CZ PHE B 46 -7.300 -8.637 8.674 1.00 0.00 C ATOM 0 H PHE B 46 -3.858 -9.204 2.789 1.00 0.00 H new ATOM 0 HA PHE B 46 -6.429 -10.254 3.920 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -4.465 -10.745 5.310 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -3.908 -9.087 5.198 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -7.303 -10.709 5.979 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -4.319 -7.848 7.244 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -8.694 -10.085 7.926 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -5.737 -7.260 9.181 1.00 0.00 H new ATOM 0 HZ PHE B 46 -7.912 -8.373 9.524 1.00 0.00 H new ATOM 684 N TYR B 47 -5.853 -7.326 2.942 1.00 0.00 N ATOM 685 CA TYR B 47 -6.387 -5.937 2.870 1.00 0.00 C ATOM 686 C TYR B 47 -7.817 -5.958 2.321 1.00 0.00 C ATOM 687 O TYR B 47 -8.149 -5.237 1.401 1.00 0.00 O ATOM 688 CB TYR B 47 -5.500 -5.098 1.947 1.00 0.00 C ATOM 689 CG TYR B 47 -5.503 -3.622 2.456 1.00 0.00 C ATOM 690 CD1 TYR B 47 -6.611 -2.763 2.210 1.00 0.00 C ATOM 691 CD2 TYR B 47 -4.403 -3.093 3.186 1.00 0.00 C ATOM 692 CE1 TYR B 47 -6.604 -1.441 2.673 1.00 0.00 C ATOM 693 CE2 TYR B 47 -4.419 -1.768 3.640 1.00 0.00 C ATOM 694 CZ TYR B 47 -5.513 -0.946 3.383 1.00 0.00 C ATOM 695 OH TYR B 47 -5.517 0.359 3.833 1.00 0.00 O ATOM 0 H TYR B 47 -5.219 -7.587 2.187 1.00 0.00 H new ATOM 0 HA TYR B 47 -6.392 -5.502 3.869 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -4.484 -5.493 1.938 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -5.869 -5.145 0.923 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -7.464 -3.134 1.662 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -3.547 -3.719 3.392 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -7.451 -0.801 2.478 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -3.576 -1.381 4.194 1.00 0.00 H new ATOM 0 HH TYR B 47 -4.681 0.543 4.311 1.00 0.00 H new ATOM 705 N THR B 48 -8.667 -6.773 2.882 1.00 0.00 N ATOM 706 CA THR B 48 -10.075 -6.831 2.397 1.00 0.00 C ATOM 707 C THR B 48 -10.999 -6.302 3.487 1.00 0.00 C ATOM 708 O THR B 48 -11.569 -5.235 3.376 1.00 0.00 O ATOM 709 CB THR B 48 -10.446 -8.279 2.067 1.00 0.00 C ATOM 710 OG1 THR B 48 -9.413 -8.864 1.286 1.00 0.00 O ATOM 711 CG2 THR B 48 -11.759 -8.305 1.281 1.00 0.00 C ATOM 0 H THR B 48 -8.448 -7.401 3.655 1.00 0.00 H new ATOM 0 HA THR B 48 -10.179 -6.222 1.499 1.00 0.00 H new ATOM 0 HB THR B 48 -10.568 -8.843 2.992 1.00 0.00 H new ATOM 0 HG1 THR B 48 -9.648 -9.792 1.075 1.00 0.00 H new ATOM 0 HG21 THR B 48 -12.022 -9.336 1.046 1.00 0.00 H new ATOM 0 HG22 THR B 48 -12.551 -7.856 1.880 1.00 0.00 H new ATOM 0 HG23 THR B 48 -11.640 -7.741 0.356 1.00 0.00 H new ATOM 719 N LYS B 49 -11.143 -7.041 4.544 1.00 0.00 N ATOM 720 CA LYS B 49 -12.021 -6.590 5.659 1.00 0.00 C ATOM 721 C LYS B 49 -13.487 -6.632 5.214 1.00 0.00 C ATOM 722 O LYS B 49 -13.971 -5.703 4.597 1.00 0.00 O ATOM 723 CB LYS B 49 -11.645 -5.158 6.043 1.00 0.00 C ATOM 724 CG LYS B 49 -12.045 -4.894 7.495 1.00 0.00 C ATOM 725 CD LYS B 49 -11.175 -3.773 8.066 1.00 0.00 C ATOM 726 CE LYS B 49 -12.052 -2.799 8.855 1.00 0.00 C ATOM 727 NZ LYS B 49 -12.309 -3.353 10.213 1.00 0.00 N ATOM 0 H LYS B 49 -10.690 -7.943 4.688 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.889 -7.250 6.517 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -10.573 -5.007 5.917 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.146 -4.450 5.383 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -13.098 -4.616 7.549 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -11.924 -5.801 8.088 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.404 -4.190 8.713 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.664 -3.248 7.259 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -11.559 -1.830 8.933 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -12.995 -2.636 8.332 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -12.905 -2.692 10.751 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -12.796 -4.268 10.128 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -11.405 -3.487 10.710 1.00 0.00 H new ATOM 741 N PRO B 50 -14.152 -7.711 5.543 1.00 0.00 N ATOM 742 CA PRO B 50 -15.567 -7.906 5.196 1.00 0.00 C ATOM 743 C PRO B 50 -16.467 -7.103 6.140 1.00 0.00 C ATOM 744 O PRO B 50 -16.004 -6.489 7.081 1.00 0.00 O ATOM 745 CB PRO B 50 -15.783 -9.410 5.385 1.00 0.00 C ATOM 746 CG PRO B 50 -14.676 -9.888 6.352 1.00 0.00 C ATOM 747 CD PRO B 50 -13.555 -8.833 6.288 1.00 0.00 C ATOM 0 HA PRO B 50 -15.809 -7.570 4.188 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -16.772 -9.612 5.796 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -15.720 -9.935 4.432 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -15.062 -9.983 7.367 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -14.302 -10.869 6.060 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -13.241 -8.526 7.285 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -12.672 -9.222 5.781 1.00 0.00 H new ATOM 755 N THR B 51 -17.749 -7.103 5.897 1.00 0.00 N ATOM 756 CA THR B 51 -18.674 -6.341 6.782 1.00 0.00 C ATOM 757 C THR B 51 -19.423 -7.314 7.695 1.00 0.00 C ATOM 758 O THR B 51 -19.415 -8.498 7.399 1.00 0.00 O ATOM 759 CB THR B 51 -19.680 -5.567 5.926 1.00 0.00 C ATOM 760 OG1 THR B 51 -19.736 -6.140 4.627 1.00 0.00 O ATOM 761 CG2 THR B 51 -19.246 -4.105 5.823 1.00 0.00 C ATOM 762 OXT THR B 51 -19.990 -6.859 8.674 1.00 0.00 O ATOM 0 H THR B 51 -18.195 -7.597 5.125 1.00 0.00 H new ATOM 0 HA THR B 51 -18.100 -5.641 7.389 1.00 0.00 H new ATOM 0 HB THR B 51 -20.666 -5.619 6.388 1.00 0.00 H new ATOM 0 HG1 THR B 51 -20.381 -5.646 4.079 1.00 0.00 H new ATOM 0 HG21 THR B 51 -19.963 -3.555 5.213 1.00 0.00 H new ATOM 0 HG22 THR B 51 -19.205 -3.666 6.820 1.00 0.00 H new ATOM 0 HG23 THR B 51 -18.260 -4.050 5.362 1.00 0.00 H new TER 770 THR B 51