USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 512 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 47 SER OG : rot 180:sc= -0.0183 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0647 USER MOD Single : A 3 SER OG : rot 20:sc= 0.237 USER MOD Single : A 5 SER OG : rot 150:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0243 X(o=-0.024,f=-0.024) USER MOD Single : A 9 MET CE :methyl 176:sc= -3.79! (180deg=-4.28!) USER MOD Single : A 14 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-2.2) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -135:sc= 0.951 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.9!) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 27:sc= 0.517 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.203 -9.143 -4.700 1.00 0.00 N ATOM 2 CA GLY A 1 17.401 -8.299 -5.566 1.00 0.00 C ATOM 3 C GLY A 1 17.652 -6.823 -5.331 1.00 0.00 C ATOM 4 O GLY A 1 17.248 -6.273 -4.306 1.00 0.00 O ATOM 0 H1 GLY A 1 17.995 -10.142 -4.899 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.212 -8.958 -4.873 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.978 -8.934 -3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.619 -8.540 -6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.345 -8.515 -5.403 1.00 0.00 H new ATOM 8 N SER A 2 18.322 -6.179 -6.281 1.00 0.00 N ATOM 9 CA SER A 2 18.632 -4.758 -6.170 1.00 0.00 C ATOM 10 C SER A 2 17.550 -3.913 -6.836 1.00 0.00 C ATOM 11 O SER A 2 16.987 -3.008 -6.220 1.00 0.00 O ATOM 12 CB SER A 2 19.991 -4.460 -6.805 1.00 0.00 C ATOM 13 OG SER A 2 20.047 -4.935 -8.139 1.00 0.00 O ATOM 0 H SER A 2 18.661 -6.619 -7.137 1.00 0.00 H new ATOM 0 HA SER A 2 18.670 -4.501 -5.111 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.175 -3.386 -6.790 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.781 -4.927 -6.216 1.00 0.00 H new ATOM 0 HG SER A 2 20.925 -4.730 -8.523 1.00 0.00 H new ATOM 19 N SER A 3 17.265 -4.215 -8.098 1.00 0.00 N ATOM 20 CA SER A 3 16.254 -3.482 -8.850 1.00 0.00 C ATOM 21 C SER A 3 15.066 -4.379 -9.182 1.00 0.00 C ATOM 22 O SER A 3 15.228 -5.457 -9.752 1.00 0.00 O ATOM 23 CB SER A 3 16.856 -2.917 -10.138 1.00 0.00 C ATOM 24 OG SER A 3 17.302 -3.956 -10.992 1.00 0.00 O ATOM 0 H SER A 3 17.720 -4.963 -8.622 1.00 0.00 H new ATOM 0 HA SER A 3 15.902 -2.658 -8.229 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.112 -2.311 -10.655 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.690 -2.259 -9.895 1.00 0.00 H new ATOM 0 HG SER A 3 16.860 -4.795 -10.745 1.00 0.00 H new ATOM 30 N GLY A 4 13.870 -3.925 -8.819 1.00 0.00 N ATOM 31 CA GLY A 4 12.671 -4.699 -9.086 1.00 0.00 C ATOM 32 C GLY A 4 11.782 -4.830 -7.865 1.00 0.00 C ATOM 33 O GLY A 4 11.994 -4.152 -6.859 1.00 0.00 O ATOM 0 H GLY A 4 13.710 -3.036 -8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.109 -4.227 -9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.954 -5.692 -9.434 1.00 0.00 H new ATOM 37 N SER A 5 10.783 -5.702 -7.952 1.00 0.00 N ATOM 38 CA SER A 5 9.855 -5.915 -6.848 1.00 0.00 C ATOM 39 C SER A 5 10.362 -7.014 -5.918 1.00 0.00 C ATOM 40 O SER A 5 10.167 -8.201 -6.177 1.00 0.00 O ATOM 41 CB SER A 5 8.470 -6.282 -7.382 1.00 0.00 C ATOM 42 OG SER A 5 7.871 -5.183 -8.046 1.00 0.00 O ATOM 0 H SER A 5 10.595 -6.273 -8.776 1.00 0.00 H new ATOM 0 HA SER A 5 9.783 -4.987 -6.281 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.553 -7.124 -8.069 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.833 -6.604 -6.558 1.00 0.00 H new ATOM 0 HG SER A 5 7.278 -5.512 -8.753 1.00 0.00 H new ATOM 48 N SER A 6 11.013 -6.608 -4.832 1.00 0.00 N ATOM 49 CA SER A 6 11.551 -7.556 -3.864 1.00 0.00 C ATOM 50 C SER A 6 10.439 -8.135 -2.995 1.00 0.00 C ATOM 51 O SER A 6 10.372 -9.344 -2.777 1.00 0.00 O ATOM 52 CB SER A 6 12.601 -6.877 -2.983 1.00 0.00 C ATOM 53 OG SER A 6 12.984 -7.716 -1.907 1.00 0.00 O ATOM 0 H SER A 6 11.180 -5.629 -4.601 1.00 0.00 H new ATOM 0 HA SER A 6 12.021 -8.372 -4.414 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.476 -6.627 -3.582 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.203 -5.940 -2.594 1.00 0.00 H new ATOM 0 HG SER A 6 13.657 -7.260 -1.360 1.00 0.00 H new ATOM 59 N GLY A 7 9.568 -7.262 -2.500 1.00 0.00 N ATOM 60 CA GLY A 7 8.470 -7.704 -1.660 1.00 0.00 C ATOM 61 C GLY A 7 7.116 -7.424 -2.281 1.00 0.00 C ATOM 62 O GLY A 7 6.691 -8.122 -3.201 1.00 0.00 O ATOM 0 H GLY A 7 9.603 -6.256 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.567 -8.774 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.533 -7.205 -0.693 1.00 0.00 H new ATOM 66 N ASN A 8 6.435 -6.401 -1.775 1.00 0.00 N ATOM 67 CA ASN A 8 5.119 -6.032 -2.285 1.00 0.00 C ATOM 68 C ASN A 8 5.067 -4.547 -2.632 1.00 0.00 C ATOM 69 O ASN A 8 5.199 -3.690 -1.759 1.00 0.00 O ATOM 70 CB ASN A 8 4.038 -6.364 -1.254 1.00 0.00 C ATOM 71 CG ASN A 8 4.406 -7.560 -0.396 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.373 -8.701 -0.856 1.00 0.00 O ATOM 73 ND2 ASN A 8 4.757 -7.302 0.859 1.00 0.00 N ATOM 0 H ASN A 8 6.772 -5.813 -1.013 1.00 0.00 H new ATOM 0 HA ASN A 8 4.935 -6.606 -3.193 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.872 -5.498 -0.613 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.098 -6.565 -1.768 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.013 -8.066 1.484 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.770 -6.340 1.197 1.00 0.00 H new ATOM 80 N MET A 9 4.872 -4.251 -3.913 1.00 0.00 N ATOM 81 CA MET A 9 4.800 -2.870 -4.375 1.00 0.00 C ATOM 82 C MET A 9 3.446 -2.580 -5.013 1.00 0.00 C ATOM 83 O MET A 9 2.911 -3.401 -5.759 1.00 0.00 O ATOM 84 CB MET A 9 5.921 -2.587 -5.378 1.00 0.00 C ATOM 85 CG MET A 9 7.275 -2.358 -4.728 1.00 0.00 C ATOM 86 SD MET A 9 7.590 -0.618 -4.372 1.00 0.00 S ATOM 87 CE MET A 9 5.979 -0.095 -3.789 1.00 0.00 C ATOM 0 H MET A 9 4.761 -4.949 -4.649 1.00 0.00 H new ATOM 0 HA MET A 9 4.921 -2.217 -3.511 1.00 0.00 H new ATOM 0 HB2 MET A 9 5.997 -3.425 -6.071 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.657 -1.709 -5.967 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.330 -2.930 -3.802 1.00 0.00 H new ATOM 0 HG3 MET A 9 8.058 -2.738 -5.385 1.00 0.00 H new ATOM 0 HE1 MET A 9 6.030 0.943 -3.462 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.253 -0.186 -4.597 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.673 -0.724 -2.953 1.00 0.00 H new ATOM 97 N PHE A 10 2.895 -1.408 -4.715 1.00 0.00 N ATOM 98 CA PHE A 10 1.602 -1.010 -5.259 1.00 0.00 C ATOM 99 C PHE A 10 1.436 0.506 -5.215 1.00 0.00 C ATOM 100 O PHE A 10 1.542 1.123 -4.155 1.00 0.00 O ATOM 101 CB PHE A 10 0.469 -1.681 -4.479 1.00 0.00 C ATOM 102 CG PHE A 10 0.245 -3.116 -4.863 1.00 0.00 C ATOM 103 CD1 PHE A 10 0.961 -4.131 -4.249 1.00 0.00 C ATOM 104 CD2 PHE A 10 -0.683 -3.450 -5.837 1.00 0.00 C ATOM 105 CE1 PHE A 10 0.757 -5.452 -4.601 1.00 0.00 C ATOM 106 CE2 PHE A 10 -0.891 -4.769 -6.193 1.00 0.00 C ATOM 107 CZ PHE A 10 -0.171 -5.772 -5.573 1.00 0.00 C ATOM 0 H PHE A 10 3.324 -0.717 -4.099 1.00 0.00 H new ATOM 0 HA PHE A 10 1.559 -1.332 -6.299 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.692 -1.629 -3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.453 -1.122 -4.640 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.686 -3.887 -3.487 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.250 -2.670 -6.323 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.323 -6.234 -4.116 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.616 -5.015 -6.955 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.333 -6.804 -5.848 1.00 0.00 H new ATOM 117 N VAL A 11 1.175 1.101 -6.375 1.00 0.00 N ATOM 118 CA VAL A 11 0.994 2.544 -6.470 1.00 0.00 C ATOM 119 C VAL A 11 -0.468 2.928 -6.276 1.00 0.00 C ATOM 120 O VAL A 11 -1.350 2.070 -6.267 1.00 0.00 O ATOM 121 CB VAL A 11 1.479 3.082 -7.829 1.00 0.00 C ATOM 122 CG1 VAL A 11 1.630 4.595 -7.782 1.00 0.00 C ATOM 123 CG2 VAL A 11 2.789 2.420 -8.227 1.00 0.00 C ATOM 0 H VAL A 11 1.084 0.605 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 11 1.592 2.991 -5.676 1.00 0.00 H new ATOM 0 HB VAL A 11 0.731 2.839 -8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.973 4.957 -8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.668 5.049 -7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.357 4.864 -7.016 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.117 2.812 -9.190 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.547 2.630 -7.472 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.643 1.343 -8.305 1.00 0.00 H new ATOM 133 N ALA A 12 -0.718 4.224 -6.121 1.00 0.00 N ATOM 134 CA ALA A 12 -2.075 4.723 -5.930 1.00 0.00 C ATOM 135 C ALA A 12 -2.578 5.437 -7.180 1.00 0.00 C ATOM 136 O ALA A 12 -3.692 5.188 -7.643 1.00 0.00 O ATOM 137 CB ALA A 12 -2.129 5.656 -4.729 1.00 0.00 C ATOM 0 H ALA A 12 0.001 4.947 -6.124 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.727 3.870 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.147 6.021 -4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.819 5.116 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.459 6.500 -4.894 1.00 0.00 H new ATOM 143 N LEU A 13 -1.752 6.325 -7.722 1.00 0.00 N ATOM 144 CA LEU A 13 -2.114 7.076 -8.919 1.00 0.00 C ATOM 145 C LEU A 13 -3.438 7.809 -8.723 1.00 0.00 C ATOM 146 O LEU A 13 -4.170 8.057 -9.681 1.00 0.00 O ATOM 147 CB LEU A 13 -2.212 6.138 -10.124 1.00 0.00 C ATOM 148 CG LEU A 13 -1.108 5.086 -10.246 1.00 0.00 C ATOM 149 CD1 LEU A 13 -1.498 3.815 -9.508 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.817 4.787 -11.710 1.00 0.00 C ATOM 0 H LEU A 13 -0.827 6.543 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.334 7.815 -9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.173 5.625 -10.083 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.212 6.743 -11.031 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.201 5.483 -9.789 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.701 3.078 -9.606 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.656 4.041 -8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.417 3.414 -9.935 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.029 4.037 -11.779 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.720 4.410 -12.191 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.493 5.700 -12.210 1.00 0.00 H new ATOM 162 N HIS A 14 -3.737 8.154 -7.475 1.00 0.00 N ATOM 163 CA HIS A 14 -4.972 8.862 -7.153 1.00 0.00 C ATOM 164 C HIS A 14 -4.895 9.482 -5.761 1.00 0.00 C ATOM 165 O HIS A 14 -4.133 9.026 -4.907 1.00 0.00 O ATOM 166 CB HIS A 14 -6.166 7.911 -7.235 1.00 0.00 C ATOM 167 CG HIS A 14 -6.673 7.706 -8.629 1.00 0.00 C ATOM 168 ND1 HIS A 14 -6.903 8.745 -9.507 1.00 0.00 N ATOM 169 CD2 HIS A 14 -6.995 6.573 -9.297 1.00 0.00 C ATOM 170 CE1 HIS A 14 -7.345 8.260 -10.654 1.00 0.00 C ATOM 171 NE2 HIS A 14 -7.409 6.944 -10.553 1.00 0.00 N ATOM 0 H HIS A 14 -3.142 7.955 -6.670 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.104 9.662 -7.881 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.881 6.946 -6.815 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.974 8.302 -6.617 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.937 5.565 -8.913 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.609 8.840 -11.526 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.716 6.307 -11.288 1.00 0.00 H new ATOM 180 N THR A 15 -5.690 10.524 -5.538 1.00 0.00 N ATOM 181 CA THR A 15 -5.710 11.208 -4.251 1.00 0.00 C ATOM 182 C THR A 15 -6.968 10.859 -3.463 1.00 0.00 C ATOM 183 O THR A 15 -8.043 11.405 -3.717 1.00 0.00 O ATOM 184 CB THR A 15 -5.635 12.736 -4.425 1.00 0.00 C ATOM 185 OG1 THR A 15 -4.541 13.077 -5.284 1.00 0.00 O ATOM 186 CG2 THR A 15 -5.464 13.426 -3.080 1.00 0.00 C ATOM 0 H THR A 15 -6.328 10.913 -6.232 1.00 0.00 H new ATOM 0 HA THR A 15 -4.833 10.869 -3.700 1.00 0.00 H new ATOM 0 HB THR A 15 -6.569 13.075 -4.873 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.501 14.050 -5.391 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.413 14.505 -3.228 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.312 13.187 -2.438 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.544 13.081 -2.609 1.00 0.00 H new ATOM 194 N TYR A 16 -6.829 9.948 -2.507 1.00 0.00 N ATOM 195 CA TYR A 16 -7.955 9.526 -1.683 1.00 0.00 C ATOM 196 C TYR A 16 -7.843 10.096 -0.273 1.00 0.00 C ATOM 197 O TYR A 16 -6.933 9.748 0.479 1.00 0.00 O ATOM 198 CB TYR A 16 -8.026 7.999 -1.623 1.00 0.00 C ATOM 199 CG TYR A 16 -9.191 7.478 -0.812 1.00 0.00 C ATOM 200 CD1 TYR A 16 -10.439 7.292 -1.393 1.00 0.00 C ATOM 201 CD2 TYR A 16 -9.043 7.173 0.535 1.00 0.00 C ATOM 202 CE1 TYR A 16 -11.507 6.817 -0.655 1.00 0.00 C ATOM 203 CE2 TYR A 16 -10.105 6.697 1.280 1.00 0.00 C ATOM 204 CZ TYR A 16 -11.334 6.521 0.681 1.00 0.00 C ATOM 205 OH TYR A 16 -12.394 6.047 1.420 1.00 0.00 O ATOM 0 H TYR A 16 -5.947 9.487 -2.283 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.868 9.909 -2.138 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.096 7.607 -2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.098 7.617 -1.197 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.577 7.522 -2.439 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.082 7.310 1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.471 6.678 -1.122 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.973 6.464 2.326 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.429 6.516 2.280 1.00 0.00 H new ATOM 215 N SER A 17 -8.776 10.975 0.079 1.00 0.00 N ATOM 216 CA SER A 17 -8.781 11.598 1.398 1.00 0.00 C ATOM 217 C SER A 17 -9.474 10.700 2.419 1.00 0.00 C ATOM 218 O SER A 17 -10.700 10.684 2.517 1.00 0.00 O ATOM 219 CB SER A 17 -9.480 12.958 1.340 1.00 0.00 C ATOM 220 OG SER A 17 -8.977 13.744 0.274 1.00 0.00 O ATOM 0 H SER A 17 -9.538 11.272 -0.531 1.00 0.00 H new ATOM 0 HA SER A 17 -7.746 11.742 1.709 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.553 12.814 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.337 13.485 2.284 1.00 0.00 H new ATOM 0 HG SER A 17 -9.441 14.607 0.257 1.00 0.00 H new ATOM 226 N ALA A 18 -8.678 9.955 3.179 1.00 0.00 N ATOM 227 CA ALA A 18 -9.212 9.056 4.194 1.00 0.00 C ATOM 228 C ALA A 18 -10.394 9.690 4.920 1.00 0.00 C ATOM 229 O ALA A 18 -10.319 10.834 5.369 1.00 0.00 O ATOM 230 CB ALA A 18 -8.124 8.674 5.186 1.00 0.00 C ATOM 0 H ALA A 18 -7.660 9.957 3.111 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.566 8.154 3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.537 8.002 5.938 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.311 8.173 4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.743 9.572 5.672 1.00 0.00 H new ATOM 236 N HIS A 19 -11.486 8.939 5.032 1.00 0.00 N ATOM 237 CA HIS A 19 -12.684 9.428 5.704 1.00 0.00 C ATOM 238 C HIS A 19 -12.817 8.814 7.094 1.00 0.00 C ATOM 239 O HIS A 19 -13.367 9.430 8.006 1.00 0.00 O ATOM 240 CB HIS A 19 -13.927 9.110 4.873 1.00 0.00 C ATOM 241 CG HIS A 19 -14.292 10.191 3.903 1.00 0.00 C ATOM 242 ND1 HIS A 19 -13.382 10.772 3.045 1.00 0.00 N ATOM 243 CD2 HIS A 19 -15.478 10.797 3.658 1.00 0.00 C ATOM 244 CE1 HIS A 19 -13.992 11.688 2.315 1.00 0.00 C ATOM 245 NE2 HIS A 19 -15.265 11.723 2.667 1.00 0.00 N ATOM 0 H HIS A 19 -11.565 7.990 4.666 1.00 0.00 H new ATOM 0 HA HIS A 19 -12.594 10.509 5.811 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -13.760 8.183 4.325 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -14.768 8.936 5.544 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -12.393 10.532 2.984 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -16.417 10.590 4.150 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -13.529 12.304 1.558 1.00 0.00 H new ATOM 254 N ARG A 20 -12.309 7.595 7.248 1.00 0.00 N ATOM 255 CA ARG A 20 -12.372 6.897 8.526 1.00 0.00 C ATOM 256 C ARG A 20 -10.975 6.688 9.102 1.00 0.00 C ATOM 257 O ARG A 20 -9.968 6.769 8.398 1.00 0.00 O ATOM 258 CB ARG A 20 -13.073 5.547 8.360 1.00 0.00 C ATOM 259 CG ARG A 20 -14.577 5.612 8.571 1.00 0.00 C ATOM 260 CD ARG A 20 -15.139 4.264 8.995 1.00 0.00 C ATOM 261 NE ARG A 20 -14.773 3.201 8.063 1.00 0.00 N ATOM 262 CZ ARG A 20 -15.263 1.968 8.125 1.00 0.00 C ATOM 263 NH1 ARG A 20 -16.136 1.645 9.069 1.00 0.00 N ATOM 264 NH2 ARG A 20 -14.882 1.055 7.240 1.00 0.00 N ATOM 0 H ARG A 20 -11.849 7.071 6.503 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.944 7.514 9.220 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.871 5.163 7.360 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.646 4.836 9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.807 6.359 9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.061 5.936 7.650 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.772 4.015 9.991 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.225 4.329 9.062 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.104 3.417 7.324 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.433 2.344 9.750 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.511 0.697 9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.212 1.300 6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.259 0.109 7.289 1.00 0.00 H new ATOM 278 N PRO A 21 -10.909 6.414 10.413 1.00 0.00 N ATOM 279 CA PRO A 21 -9.641 6.188 11.112 1.00 0.00 C ATOM 280 C PRO A 21 -8.980 4.876 10.705 1.00 0.00 C ATOM 281 O PRO A 21 -7.934 4.506 11.238 1.00 0.00 O ATOM 282 CB PRO A 21 -10.052 6.145 12.587 1.00 0.00 C ATOM 283 CG PRO A 21 -11.480 5.721 12.570 1.00 0.00 C ATOM 284 CD PRO A 21 -12.069 6.302 11.314 1.00 0.00 C ATOM 0 HA PRO A 21 -8.906 6.959 10.882 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.437 5.442 13.149 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.934 7.120 13.059 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.565 4.634 12.574 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.006 6.085 13.453 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -12.841 5.656 10.896 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.530 7.272 11.498 1.00 0.00 H new ATOM 292 N GLU A 22 -9.596 4.177 9.757 1.00 0.00 N ATOM 293 CA GLU A 22 -9.066 2.906 9.279 1.00 0.00 C ATOM 294 C GLU A 22 -8.631 3.011 7.820 1.00 0.00 C ATOM 295 O GLU A 22 -7.783 2.249 7.358 1.00 0.00 O ATOM 296 CB GLU A 22 -10.113 1.801 9.431 1.00 0.00 C ATOM 297 CG GLU A 22 -11.356 2.020 8.585 1.00 0.00 C ATOM 298 CD GLU A 22 -12.455 1.021 8.893 1.00 0.00 C ATOM 299 OE1 GLU A 22 -13.243 1.276 9.827 1.00 0.00 O ATOM 300 OE2 GLU A 22 -12.526 -0.016 8.200 1.00 0.00 O ATOM 0 H GLU A 22 -10.462 4.470 9.305 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.194 2.656 9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.663 0.846 9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.405 1.730 10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.731 3.030 8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.090 1.949 7.530 1.00 0.00 H new ATOM 307 N GLU A 23 -9.220 3.962 7.100 1.00 0.00 N ATOM 308 CA GLU A 23 -8.894 4.166 5.694 1.00 0.00 C ATOM 309 C GLU A 23 -7.503 4.773 5.540 1.00 0.00 C ATOM 310 O GLU A 23 -7.016 5.472 6.430 1.00 0.00 O ATOM 311 CB GLU A 23 -9.934 5.073 5.033 1.00 0.00 C ATOM 312 CG GLU A 23 -11.283 4.404 4.828 1.00 0.00 C ATOM 313 CD GLU A 23 -12.360 5.381 4.400 1.00 0.00 C ATOM 314 OE1 GLU A 23 -12.009 6.479 3.919 1.00 0.00 O ATOM 315 OE2 GLU A 23 -13.555 5.048 4.545 1.00 0.00 O ATOM 0 H GLU A 23 -9.924 4.602 7.467 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.904 3.194 5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.069 5.964 5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.552 5.406 4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.186 3.623 4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.587 3.917 5.754 1.00 0.00 H new ATOM 322 N LEU A 24 -6.868 4.503 4.405 1.00 0.00 N ATOM 323 CA LEU A 24 -5.532 5.021 4.133 1.00 0.00 C ATOM 324 C LEU A 24 -5.577 6.112 3.068 1.00 0.00 C ATOM 325 O LEU A 24 -6.070 5.893 1.961 1.00 0.00 O ATOM 326 CB LEU A 24 -4.606 3.890 3.681 1.00 0.00 C ATOM 327 CG LEU A 24 -3.124 4.061 4.016 1.00 0.00 C ATOM 328 CD1 LEU A 24 -2.290 3.010 3.300 1.00 0.00 C ATOM 329 CD2 LEU A 24 -2.652 5.461 3.648 1.00 0.00 C ATOM 0 H LEU A 24 -7.257 3.928 3.658 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.143 5.454 5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.955 2.960 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.703 3.778 2.601 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.996 3.927 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.238 3.148 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.611 2.016 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.423 3.112 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.595 5.565 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.794 5.624 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.228 6.198 4.207 1.00 0.00 H new ATOM 341 N ASP A 25 -5.059 7.287 3.409 1.00 0.00 N ATOM 342 CA ASP A 25 -5.038 8.412 2.482 1.00 0.00 C ATOM 343 C ASP A 25 -4.025 8.176 1.365 1.00 0.00 C ATOM 344 O ASP A 25 -2.818 8.138 1.605 1.00 0.00 O ATOM 345 CB ASP A 25 -4.704 9.707 3.224 1.00 0.00 C ATOM 346 CG ASP A 25 -3.626 9.512 4.273 1.00 0.00 C ATOM 347 OD1 ASP A 25 -3.939 8.962 5.350 1.00 0.00 O ATOM 348 OD2 ASP A 25 -2.470 9.907 4.016 1.00 0.00 O ATOM 0 H ASP A 25 -4.648 7.485 4.321 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.029 8.503 2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.377 10.459 2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.605 10.092 3.701 1.00 0.00 H new ATOM 353 N LEU A 26 -4.525 8.017 0.145 1.00 0.00 N ATOM 354 CA LEU A 26 -3.664 7.783 -1.010 1.00 0.00 C ATOM 355 C LEU A 26 -3.264 9.101 -1.666 1.00 0.00 C ATOM 356 O LEU A 26 -3.955 10.109 -1.526 1.00 0.00 O ATOM 357 CB LEU A 26 -4.375 6.889 -2.028 1.00 0.00 C ATOM 358 CG LEU A 26 -4.999 5.607 -1.475 1.00 0.00 C ATOM 359 CD1 LEU A 26 -5.739 4.857 -2.572 1.00 0.00 C ATOM 360 CD2 LEU A 26 -3.931 4.722 -0.848 1.00 0.00 C ATOM 0 H LEU A 26 -5.522 8.046 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.760 7.281 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.160 7.473 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.660 6.616 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.717 5.879 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.176 3.948 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.530 5.489 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.042 4.596 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.393 3.814 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.189 4.458 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.446 5.259 -0.033 1.00 0.00 H new ATOM 372 N GLN A 27 -2.145 9.083 -2.383 1.00 0.00 N ATOM 373 CA GLN A 27 -1.654 10.276 -3.062 1.00 0.00 C ATOM 374 C GLN A 27 -1.131 9.935 -4.453 1.00 0.00 C ATOM 375 O GLN A 27 -0.139 9.219 -4.597 1.00 0.00 O ATOM 376 CB GLN A 27 -0.550 10.940 -2.238 1.00 0.00 C ATOM 377 CG GLN A 27 -1.051 11.580 -0.953 1.00 0.00 C ATOM 378 CD GLN A 27 -0.147 12.696 -0.466 1.00 0.00 C ATOM 379 OE1 GLN A 27 1.044 12.726 -0.778 1.00 0.00 O ATOM 380 NE2 GLN A 27 -0.710 13.620 0.303 1.00 0.00 N ATOM 0 H GLN A 27 -1.562 8.256 -2.509 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.487 10.971 -3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.206 10.195 -1.992 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.062 11.701 -2.847 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.054 11.975 -1.115 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.130 10.817 -0.178 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.701 13.555 0.536 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.152 14.395 0.661 1.00 0.00 H new ATOM 389 N LYS A 28 -1.804 10.451 -5.476 1.00 0.00 N ATOM 390 CA LYS A 28 -1.407 10.202 -6.857 1.00 0.00 C ATOM 391 C LYS A 28 0.111 10.219 -6.999 1.00 0.00 C ATOM 392 O LYS A 28 0.736 11.278 -6.954 1.00 0.00 O ATOM 393 CB LYS A 28 -2.029 11.249 -7.784 1.00 0.00 C ATOM 394 CG LYS A 28 -2.050 10.832 -9.245 1.00 0.00 C ATOM 395 CD LYS A 28 -0.766 11.226 -9.956 1.00 0.00 C ATOM 396 CE LYS A 28 -0.922 11.154 -11.467 1.00 0.00 C ATOM 397 NZ LYS A 28 -0.886 9.750 -11.962 1.00 0.00 N ATOM 0 H LYS A 28 -2.627 11.045 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.769 9.214 -7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.049 11.451 -7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.474 12.182 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.189 9.753 -9.314 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.901 11.296 -9.744 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.484 12.238 -9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.043 10.567 -9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.865 11.617 -11.757 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.126 11.727 -11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.995 9.744 -12.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.024 9.315 -11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.661 9.209 -11.528 1.00 0.00 H new ATOM 411 N GLY A 29 0.699 9.039 -7.170 1.00 0.00 N ATOM 412 CA GLY A 29 2.139 8.941 -7.317 1.00 0.00 C ATOM 413 C GLY A 29 2.832 8.587 -6.016 1.00 0.00 C ATOM 414 O GLY A 29 3.899 9.117 -5.710 1.00 0.00 O ATOM 0 H GLY A 29 0.203 8.149 -7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.374 8.186 -8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.529 9.890 -7.686 1.00 0.00 H new ATOM 418 N GLU A 30 2.222 7.689 -5.249 1.00 0.00 N ATOM 419 CA GLU A 30 2.787 7.267 -3.972 1.00 0.00 C ATOM 420 C GLU A 30 2.897 5.746 -3.902 1.00 0.00 C ATOM 421 O GLU A 30 1.989 5.028 -4.317 1.00 0.00 O ATOM 422 CB GLU A 30 1.929 7.781 -2.815 1.00 0.00 C ATOM 423 CG GLU A 30 0.807 6.835 -2.421 1.00 0.00 C ATOM 424 CD GLU A 30 0.088 7.274 -1.161 1.00 0.00 C ATOM 425 OE1 GLU A 30 0.337 8.408 -0.701 1.00 0.00 O ATOM 426 OE2 GLU A 30 -0.723 6.484 -0.634 1.00 0.00 O ATOM 0 H GLU A 30 1.338 7.240 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 30 3.788 7.691 -3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.568 7.954 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.500 8.744 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.090 6.768 -3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.215 5.835 -2.272 1.00 0.00 H new ATOM 433 N GLY A 31 4.017 5.263 -3.373 1.00 0.00 N ATOM 434 CA GLY A 31 4.227 3.832 -3.259 1.00 0.00 C ATOM 435 C GLY A 31 3.594 3.252 -2.010 1.00 0.00 C ATOM 436 O GLY A 31 3.692 3.833 -0.929 1.00 0.00 O ATOM 0 H GLY A 31 4.783 5.838 -3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.813 3.336 -4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.297 3.624 -3.251 1.00 0.00 H new ATOM 440 N ILE A 32 2.942 2.104 -2.157 1.00 0.00 N ATOM 441 CA ILE A 32 2.290 1.445 -1.032 1.00 0.00 C ATOM 442 C ILE A 32 2.730 -0.010 -0.916 1.00 0.00 C ATOM 443 O ILE A 32 2.942 -0.687 -1.922 1.00 0.00 O ATOM 444 CB ILE A 32 0.756 1.497 -1.160 1.00 0.00 C ATOM 445 CG1 ILE A 32 0.283 2.946 -1.301 1.00 0.00 C ATOM 446 CG2 ILE A 32 0.101 0.835 0.042 1.00 0.00 C ATOM 447 CD1 ILE A 32 -1.152 3.070 -1.762 1.00 0.00 C ATOM 0 H ILE A 32 2.851 1.610 -3.045 1.00 0.00 H new ATOM 0 HA ILE A 32 2.590 1.985 -0.134 1.00 0.00 H new ATOM 0 HB ILE A 32 0.462 0.950 -2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.393 3.451 -0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.930 3.464 -2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.983 0.880 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.417 -0.207 0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.399 1.356 0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.419 4.124 -1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.264 2.594 -2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.809 2.581 -1.042 1.00 0.00 H new ATOM 459 N ARG A 33 2.865 -0.486 0.318 1.00 0.00 N ATOM 460 CA ARG A 33 3.279 -1.861 0.565 1.00 0.00 C ATOM 461 C ARG A 33 2.124 -2.684 1.129 1.00 0.00 C ATOM 462 O ARG A 33 1.854 -2.653 2.330 1.00 0.00 O ATOM 463 CB ARG A 33 4.462 -1.894 1.534 1.00 0.00 C ATOM 464 CG ARG A 33 5.380 -3.089 1.335 1.00 0.00 C ATOM 465 CD ARG A 33 6.525 -3.085 2.335 1.00 0.00 C ATOM 466 NE ARG A 33 7.535 -4.090 2.016 1.00 0.00 N ATOM 467 CZ ARG A 33 8.786 -4.042 2.460 1.00 0.00 C ATOM 468 NH1 ARG A 33 9.178 -3.044 3.240 1.00 0.00 N ATOM 469 NH2 ARG A 33 9.647 -4.995 2.126 1.00 0.00 N ATOM 0 H ARG A 33 2.694 0.061 1.162 1.00 0.00 H new ATOM 0 HA ARG A 33 3.584 -2.298 -0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.042 -0.978 1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.083 -1.904 2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.807 -4.010 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.781 -3.076 0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.988 -2.098 2.351 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.133 -3.270 3.335 1.00 0.00 H new ATOM 0 HE ARG A 33 7.265 -4.872 1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.518 -2.311 3.500 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.139 -3.009 3.580 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.348 -5.765 1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.607 -4.957 2.467 1.00 0.00 H new ATOM 483 N VAL A 34 1.445 -3.419 0.254 1.00 0.00 N ATOM 484 CA VAL A 34 0.319 -4.250 0.663 1.00 0.00 C ATOM 485 C VAL A 34 0.750 -5.290 1.692 1.00 0.00 C ATOM 486 O VAL A 34 1.609 -6.129 1.420 1.00 0.00 O ATOM 487 CB VAL A 34 -0.316 -4.968 -0.542 1.00 0.00 C ATOM 488 CG1 VAL A 34 -1.182 -6.129 -0.076 1.00 0.00 C ATOM 489 CG2 VAL A 34 -1.127 -3.990 -1.378 1.00 0.00 C ATOM 0 H VAL A 34 1.655 -3.456 -0.743 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.420 -3.585 1.110 1.00 0.00 H new ATOM 0 HB VAL A 34 0.483 -5.369 -1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.623 -6.625 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.569 -6.841 0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.976 -5.754 0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.569 -4.515 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.919 -3.558 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.476 -3.196 -1.743 1.00 0.00 H new ATOM 499 N LEU A 35 0.147 -5.229 2.874 1.00 0.00 N ATOM 500 CA LEU A 35 0.468 -6.166 3.945 1.00 0.00 C ATOM 501 C LEU A 35 -0.600 -7.250 4.058 1.00 0.00 C ATOM 502 O LEU A 35 -0.357 -8.412 3.736 1.00 0.00 O ATOM 503 CB LEU A 35 0.600 -5.424 5.276 1.00 0.00 C ATOM 504 CG LEU A 35 1.151 -4.000 5.199 1.00 0.00 C ATOM 505 CD1 LEU A 35 0.583 -3.146 6.322 1.00 0.00 C ATOM 506 CD2 LEU A 35 2.672 -4.012 5.252 1.00 0.00 C ATOM 0 H LEU A 35 -0.566 -4.541 3.115 1.00 0.00 H new ATOM 0 HA LEU A 35 1.419 -6.642 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.382 -5.387 5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.247 -6.007 5.932 1.00 0.00 H new ATOM 0 HG LEU A 35 0.845 -3.564 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.987 -2.136 6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.503 -3.110 6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.858 -3.580 7.284 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.046 -2.990 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.000 -4.468 6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.061 -4.587 4.412 1.00 0.00 H new ATOM 518 N GLY A 36 -1.786 -6.859 4.516 1.00 0.00 N ATOM 519 CA GLY A 36 -2.874 -7.809 4.661 1.00 0.00 C ATOM 520 C GLY A 36 -3.924 -7.657 3.578 1.00 0.00 C ATOM 521 O GLY A 36 -3.875 -6.719 2.782 1.00 0.00 O ATOM 0 H GLY A 36 -2.012 -5.903 4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.473 -8.822 4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.341 -7.676 5.637 1.00 0.00 H new ATOM 525 N LYS A 37 -4.877 -8.582 3.547 1.00 0.00 N ATOM 526 CA LYS A 37 -5.944 -8.549 2.554 1.00 0.00 C ATOM 527 C LYS A 37 -7.312 -8.490 3.226 1.00 0.00 C ATOM 528 O LYS A 37 -7.781 -9.480 3.789 1.00 0.00 O ATOM 529 CB LYS A 37 -5.863 -9.778 1.646 1.00 0.00 C ATOM 530 CG LYS A 37 -6.831 -9.736 0.477 1.00 0.00 C ATOM 531 CD LYS A 37 -6.464 -10.755 -0.589 1.00 0.00 C ATOM 532 CE LYS A 37 -7.432 -10.709 -1.761 1.00 0.00 C ATOM 533 NZ LYS A 37 -6.919 -11.470 -2.934 1.00 0.00 N ATOM 0 H LYS A 37 -4.932 -9.365 4.199 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.816 -7.650 1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.847 -9.869 1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.061 -10.671 2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.842 -9.930 0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.833 -8.737 0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.452 -10.563 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.465 -11.754 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.394 -11.120 -1.454 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.605 -9.672 -2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.607 -11.415 -3.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.014 -11.062 -3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.778 -12.465 -2.667 1.00 0.00 H new ATOM 547 N TYR A 38 -7.947 -7.325 3.163 1.00 0.00 N ATOM 548 CA TYR A 38 -9.261 -7.138 3.767 1.00 0.00 C ATOM 549 C TYR A 38 -10.291 -8.066 3.131 1.00 0.00 C ATOM 550 O TYR A 38 -10.856 -8.933 3.798 1.00 0.00 O ATOM 551 CB TYR A 38 -9.710 -5.683 3.620 1.00 0.00 C ATOM 552 CG TYR A 38 -10.699 -5.244 4.677 1.00 0.00 C ATOM 553 CD1 TYR A 38 -10.382 -5.322 6.027 1.00 0.00 C ATOM 554 CD2 TYR A 38 -11.950 -4.754 4.325 1.00 0.00 C ATOM 555 CE1 TYR A 38 -11.282 -4.923 6.997 1.00 0.00 C ATOM 556 CE2 TYR A 38 -12.856 -4.352 5.287 1.00 0.00 C ATOM 557 CZ TYR A 38 -12.517 -4.439 6.622 1.00 0.00 C ATOM 558 OH TYR A 38 -13.418 -4.040 7.583 1.00 0.00 O ATOM 0 H TYR A 38 -7.573 -6.496 2.700 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.184 -7.383 4.826 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.834 -5.035 3.663 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.159 -5.548 2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.415 -5.701 6.324 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -12.219 -4.686 3.281 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -11.019 -4.990 8.042 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -13.824 -3.972 4.996 1.00 0.00 H new ATOM 0 HH TYR A 38 -14.239 -3.724 7.151 1.00 0.00 H new ATOM 568 N GLN A 39 -10.528 -7.878 1.837 1.00 0.00 N ATOM 569 CA GLN A 39 -11.489 -8.699 1.110 1.00 0.00 C ATOM 570 C GLN A 39 -11.480 -8.359 -0.377 1.00 0.00 C ATOM 571 O GLN A 39 -10.760 -7.461 -0.814 1.00 0.00 O ATOM 572 CB GLN A 39 -12.895 -8.502 1.681 1.00 0.00 C ATOM 573 CG GLN A 39 -13.420 -7.083 1.529 1.00 0.00 C ATOM 574 CD GLN A 39 -14.813 -6.912 2.101 1.00 0.00 C ATOM 575 OE1 GLN A 39 -15.809 -7.191 1.433 1.00 0.00 O ATOM 576 NE2 GLN A 39 -14.891 -6.452 3.344 1.00 0.00 N ATOM 0 H GLN A 39 -10.068 -7.165 1.271 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.199 -9.743 1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.580 -9.189 1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.889 -8.767 2.738 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.739 -6.393 2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.430 -6.814 0.473 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.040 -6.234 3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.802 -6.317 3.782 1.00 0.00 H new ATOM 585 N ASP A 40 -12.282 -9.084 -1.149 1.00 0.00 N ATOM 586 CA ASP A 40 -12.367 -8.859 -2.588 1.00 0.00 C ATOM 587 C ASP A 40 -12.715 -7.405 -2.891 1.00 0.00 C ATOM 588 O ASP A 40 -13.870 -6.996 -2.778 1.00 0.00 O ATOM 589 CB ASP A 40 -13.411 -9.787 -3.210 1.00 0.00 C ATOM 590 CG ASP A 40 -12.867 -11.177 -3.473 1.00 0.00 C ATOM 591 OD1 ASP A 40 -11.675 -11.290 -3.828 1.00 0.00 O ATOM 592 OD2 ASP A 40 -13.633 -12.152 -3.324 1.00 0.00 O ATOM 0 H ASP A 40 -12.882 -9.832 -0.803 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.392 -9.079 -3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.272 -9.857 -2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.765 -9.355 -4.146 1.00 0.00 H new ATOM 597 N GLY A 41 -11.707 -6.628 -3.276 1.00 0.00 N ATOM 598 CA GLY A 41 -11.927 -5.228 -3.589 1.00 0.00 C ATOM 599 C GLY A 41 -11.235 -4.300 -2.610 1.00 0.00 C ATOM 600 O GLY A 41 -10.962 -3.143 -2.929 1.00 0.00 O ATOM 0 H GLY A 41 -10.742 -6.943 -3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.566 -5.023 -4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.997 -5.022 -3.586 1.00 0.00 H new ATOM 604 N TRP A 42 -10.952 -4.807 -1.416 1.00 0.00 N ATOM 605 CA TRP A 42 -10.290 -4.014 -0.386 1.00 0.00 C ATOM 606 C TRP A 42 -9.046 -4.727 0.133 1.00 0.00 C ATOM 607 O TRP A 42 -9.088 -5.914 0.457 1.00 0.00 O ATOM 608 CB TRP A 42 -11.252 -3.734 0.769 1.00 0.00 C ATOM 609 CG TRP A 42 -12.385 -2.828 0.393 1.00 0.00 C ATOM 610 CD1 TRP A 42 -13.639 -3.202 0.002 1.00 0.00 C ATOM 611 CD2 TRP A 42 -12.366 -1.397 0.369 1.00 0.00 C ATOM 612 NE1 TRP A 42 -14.400 -2.090 -0.263 1.00 0.00 N ATOM 613 CE2 TRP A 42 -13.643 -0.970 -0.044 1.00 0.00 C ATOM 614 CE3 TRP A 42 -11.395 -0.434 0.660 1.00 0.00 C ATOM 615 CZ2 TRP A 42 -13.971 0.377 -0.175 1.00 0.00 C ATOM 616 CZ3 TRP A 42 -11.722 0.902 0.529 1.00 0.00 C ATOM 617 CH2 TRP A 42 -13.001 1.298 0.116 1.00 0.00 C ATOM 0 H TRP A 42 -11.170 -5.763 -1.137 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.985 -3.067 -0.832 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.657 -4.679 1.132 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.697 -3.287 1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -13.982 -4.222 -0.086 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -15.372 -2.097 -0.573 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.407 -0.729 0.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.956 0.684 -0.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.979 1.654 0.749 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.226 2.350 0.025 1.00 0.00 H new ATOM 628 N LEU A 43 -7.939 -3.996 0.209 1.00 0.00 N ATOM 629 CA LEU A 43 -6.682 -4.559 0.690 1.00 0.00 C ATOM 630 C LEU A 43 -6.036 -3.643 1.725 1.00 0.00 C ATOM 631 O LEU A 43 -6.308 -2.443 1.764 1.00 0.00 O ATOM 632 CB LEU A 43 -5.722 -4.785 -0.479 1.00 0.00 C ATOM 633 CG LEU A 43 -6.342 -5.349 -1.757 1.00 0.00 C ATOM 634 CD1 LEU A 43 -5.348 -5.282 -2.907 1.00 0.00 C ATOM 635 CD2 LEU A 43 -6.809 -6.781 -1.537 1.00 0.00 C ATOM 0 H LEU A 43 -7.886 -3.012 -0.056 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.898 -5.516 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.244 -3.835 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.935 -5.464 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.209 -4.741 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.807 -5.688 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.062 -4.245 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.462 -5.865 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.248 -7.166 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.959 -7.401 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.555 -6.802 -0.743 1.00 0.00 H new ATOM 647 N LYS A 44 -5.177 -4.217 2.560 1.00 0.00 N ATOM 648 CA LYS A 44 -4.487 -3.453 3.593 1.00 0.00 C ATOM 649 C LYS A 44 -3.012 -3.279 3.248 1.00 0.00 C ATOM 650 O LYS A 44 -2.307 -4.252 2.985 1.00 0.00 O ATOM 651 CB LYS A 44 -4.627 -4.149 4.949 1.00 0.00 C ATOM 652 CG LYS A 44 -3.791 -3.513 6.047 1.00 0.00 C ATOM 653 CD LYS A 44 -4.212 -4.004 7.423 1.00 0.00 C ATOM 654 CE LYS A 44 -3.927 -2.966 8.497 1.00 0.00 C ATOM 655 NZ LYS A 44 -4.399 -3.410 9.837 1.00 0.00 N ATOM 0 H LYS A 44 -4.942 -5.209 2.542 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.947 -2.466 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.675 -4.137 5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.338 -5.195 4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.738 -3.743 5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.891 -2.429 6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.276 -4.239 7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.683 -4.927 7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.856 -2.769 8.536 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.414 -2.027 8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.186 -2.675 10.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.426 -3.574 9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.915 -4.292 10.101 1.00 0.00 H new ATOM 669 N GLY A 45 -2.550 -2.032 3.254 1.00 0.00 N ATOM 670 CA GLY A 45 -1.161 -1.753 2.941 1.00 0.00 C ATOM 671 C GLY A 45 -0.631 -0.541 3.682 1.00 0.00 C ATOM 672 O GLY A 45 -1.403 0.251 4.223 1.00 0.00 O ATOM 0 H GLY A 45 -3.114 -1.210 3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.554 -2.623 3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.059 -1.592 1.868 1.00 0.00 H new ATOM 676 N LEU A 46 0.689 -0.397 3.708 1.00 0.00 N ATOM 677 CA LEU A 46 1.322 0.727 4.390 1.00 0.00 C ATOM 678 C LEU A 46 1.983 1.669 3.388 1.00 0.00 C ATOM 679 O LEU A 46 2.937 1.296 2.706 1.00 0.00 O ATOM 680 CB LEU A 46 2.360 0.222 5.393 1.00 0.00 C ATOM 681 CG LEU A 46 3.339 1.266 5.930 1.00 0.00 C ATOM 682 CD1 LEU A 46 4.443 1.532 4.919 1.00 0.00 C ATOM 683 CD2 LEU A 46 2.607 2.555 6.275 1.00 0.00 C ATOM 0 H LEU A 46 1.342 -1.044 3.265 1.00 0.00 H new ATOM 0 HA LEU A 46 0.548 1.278 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.833 -0.221 6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.934 -0.576 4.921 1.00 0.00 H new ATOM 0 HG LEU A 46 3.795 0.875 6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.130 2.278 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.986 0.608 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.006 1.902 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.319 3.287 6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.124 2.950 5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.853 2.353 7.036 1.00 0.00 H new ATOM 695 N SER A 47 1.470 2.893 3.308 1.00 0.00 N ATOM 696 CA SER A 47 2.010 3.888 2.389 1.00 0.00 C ATOM 697 C SER A 47 3.480 4.164 2.689 1.00 0.00 C ATOM 698 O SER A 47 3.824 4.664 3.761 1.00 0.00 O ATOM 699 CB SER A 47 1.206 5.187 2.481 1.00 0.00 C ATOM 700 OG SER A 47 1.342 5.956 1.299 1.00 0.00 O ATOM 0 H SER A 47 0.682 3.219 3.868 1.00 0.00 H new ATOM 0 HA SER A 47 1.932 3.492 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.154 4.956 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.546 5.769 3.338 1.00 0.00 H new ATOM 0 HG SER A 47 0.818 6.780 1.382 1.00 0.00 H new ATOM 706 N LEU A 48 4.344 3.835 1.734 1.00 0.00 N ATOM 707 CA LEU A 48 5.778 4.047 1.894 1.00 0.00 C ATOM 708 C LEU A 48 6.130 5.524 1.747 1.00 0.00 C ATOM 709 O LEU A 48 7.259 5.935 2.022 1.00 0.00 O ATOM 710 CB LEU A 48 6.553 3.221 0.866 1.00 0.00 C ATOM 711 CG LEU A 48 6.169 1.745 0.764 1.00 0.00 C ATOM 712 CD1 LEU A 48 6.399 1.230 -0.648 1.00 0.00 C ATOM 713 CD2 LEU A 48 6.958 0.918 1.770 1.00 0.00 C ATOM 0 H LEU A 48 4.076 3.421 0.841 1.00 0.00 H new ATOM 0 HA LEU A 48 6.059 3.724 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.419 3.679 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.615 3.284 1.105 1.00 0.00 H new ATOM 0 HG LEU A 48 5.108 1.648 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.120 0.178 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.790 1.803 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.452 1.340 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.672 -0.130 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.024 1.021 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.743 1.271 2.779 1.00 0.00 H new ATOM 725 N LEU A 49 5.158 6.318 1.314 1.00 0.00 N ATOM 726 CA LEU A 49 5.364 7.751 1.133 1.00 0.00 C ATOM 727 C LEU A 49 5.163 8.501 2.446 1.00 0.00 C ATOM 728 O LEU A 49 6.073 9.167 2.939 1.00 0.00 O ATOM 729 CB LEU A 49 4.406 8.294 0.071 1.00 0.00 C ATOM 730 CG LEU A 49 4.492 9.795 -0.207 1.00 0.00 C ATOM 731 CD1 LEU A 49 4.061 10.100 -1.633 1.00 0.00 C ATOM 732 CD2 LEU A 49 3.640 10.571 0.787 1.00 0.00 C ATOM 0 H LEU A 49 4.219 5.994 1.082 1.00 0.00 H new ATOM 0 HA LEU A 49 6.391 7.906 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.590 7.761 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.386 8.059 0.376 1.00 0.00 H new ATOM 0 HG LEU A 49 5.529 10.108 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.129 11.173 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.713 9.574 -2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.032 9.772 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.713 11.638 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.601 10.254 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.995 10.378 1.799 1.00 0.00 H new ATOM 744 N THR A 50 3.964 8.386 3.009 1.00 0.00 N ATOM 745 CA THR A 50 3.643 9.051 4.266 1.00 0.00 C ATOM 746 C THR A 50 3.969 8.161 5.459 1.00 0.00 C ATOM 747 O THR A 50 4.549 8.614 6.444 1.00 0.00 O ATOM 748 CB THR A 50 2.156 9.449 4.327 1.00 0.00 C ATOM 749 OG1 THR A 50 1.343 8.382 3.824 1.00 0.00 O ATOM 750 CG2 THR A 50 1.900 10.713 3.520 1.00 0.00 C ATOM 0 H THR A 50 3.199 7.839 2.614 1.00 0.00 H new ATOM 0 HA THR A 50 4.255 9.952 4.312 1.00 0.00 H new ATOM 0 HB THR A 50 1.897 9.644 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.399 8.642 3.868 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.843 10.974 3.578 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.498 11.530 3.924 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.175 10.542 2.479 1.00 0.00 H new ATOM 758 N GLY A 51 3.593 6.889 5.363 1.00 0.00 N ATOM 759 CA GLY A 51 3.854 5.954 6.441 1.00 0.00 C ATOM 760 C GLY A 51 2.597 5.575 7.198 1.00 0.00 C ATOM 761 O GLY A 51 2.660 5.174 8.360 1.00 0.00 O ATOM 0 H GLY A 51 3.112 6.490 4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.314 5.054 6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.572 6.394 7.133 1.00 0.00 H new ATOM 765 N ARG A 52 1.450 5.702 6.538 1.00 0.00 N ATOM 766 CA ARG A 52 0.172 5.372 7.157 1.00 0.00 C ATOM 767 C ARG A 52 -0.318 4.003 6.695 1.00 0.00 C ATOM 768 O ARG A 52 0.026 3.542 5.606 1.00 0.00 O ATOM 769 CB ARG A 52 -0.872 6.440 6.821 1.00 0.00 C ATOM 770 CG ARG A 52 -0.329 7.859 6.870 1.00 0.00 C ATOM 771 CD ARG A 52 -0.084 8.312 8.300 1.00 0.00 C ATOM 772 NE ARG A 52 -0.245 9.756 8.452 1.00 0.00 N ATOM 773 CZ ARG A 52 0.690 10.638 8.116 1.00 0.00 C ATOM 774 NH1 ARG A 52 1.845 10.227 7.612 1.00 0.00 N ATOM 775 NH2 ARG A 52 0.469 11.936 8.284 1.00 0.00 N ATOM 0 H ARG A 52 1.380 6.031 5.575 1.00 0.00 H new ATOM 0 HA ARG A 52 0.316 5.342 8.237 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.270 6.246 5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.705 6.354 7.519 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.602 7.913 6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.034 8.536 6.388 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.776 7.798 8.967 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.923 8.026 8.604 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.122 10.106 8.837 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.018 9.230 7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.560 10.907 7.355 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.419 12.256 8.671 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.187 12.613 8.026 1.00 0.00 H new ATOM 789 N THR A 53 -1.125 3.356 7.530 1.00 0.00 N ATOM 790 CA THR A 53 -1.661 2.040 7.210 1.00 0.00 C ATOM 791 C THR A 53 -3.184 2.033 7.284 1.00 0.00 C ATOM 792 O THR A 53 -3.767 2.379 8.311 1.00 0.00 O ATOM 793 CB THR A 53 -1.108 0.961 8.159 1.00 0.00 C ATOM 794 OG1 THR A 53 0.316 1.077 8.256 1.00 0.00 O ATOM 795 CG2 THR A 53 -1.476 -0.432 7.669 1.00 0.00 C ATOM 0 H THR A 53 -1.422 3.723 8.434 1.00 0.00 H new ATOM 0 HA THR A 53 -1.348 1.812 6.191 1.00 0.00 H new ATOM 0 HB THR A 53 -1.553 1.112 9.143 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.660 0.388 8.863 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.074 -1.177 8.356 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.561 -0.527 7.624 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.057 -0.591 6.675 1.00 0.00 H new ATOM 803 N GLY A 54 -3.824 1.637 6.188 1.00 0.00 N ATOM 804 CA GLY A 54 -5.274 1.592 6.151 1.00 0.00 C ATOM 805 C GLY A 54 -5.798 0.678 5.061 1.00 0.00 C ATOM 806 O GLY A 54 -5.026 -0.019 4.402 1.00 0.00 O ATOM 0 H GLY A 54 -3.364 1.347 5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.649 1.253 7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.662 2.599 5.994 1.00 0.00 H new ATOM 810 N ILE A 55 -7.113 0.679 4.872 1.00 0.00 N ATOM 811 CA ILE A 55 -7.739 -0.157 3.855 1.00 0.00 C ATOM 812 C ILE A 55 -8.066 0.651 2.604 1.00 0.00 C ATOM 813 O ILE A 55 -8.812 1.629 2.661 1.00 0.00 O ATOM 814 CB ILE A 55 -9.030 -0.812 4.381 1.00 0.00 C ATOM 815 CG1 ILE A 55 -9.919 0.233 5.059 1.00 0.00 C ATOM 816 CG2 ILE A 55 -8.696 -1.938 5.348 1.00 0.00 C ATOM 817 CD1 ILE A 55 -11.283 -0.294 5.446 1.00 0.00 C ATOM 0 H ILE A 55 -7.766 1.249 5.410 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.021 -0.938 3.603 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.576 -1.233 3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.415 0.603 5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.044 1.083 4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.618 -2.391 5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.098 -2.692 4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.132 -1.539 6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.859 0.500 5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.807 -0.638 4.554 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.168 -1.125 6.142 1.00 0.00 H new ATOM 829 N PHE A 56 -7.504 0.235 1.474 1.00 0.00 N ATOM 830 CA PHE A 56 -7.737 0.920 0.207 1.00 0.00 C ATOM 831 C PHE A 56 -8.260 -0.051 -0.848 1.00 0.00 C ATOM 832 O PHE A 56 -8.023 -1.258 -0.789 1.00 0.00 O ATOM 833 CB PHE A 56 -6.447 1.579 -0.285 1.00 0.00 C ATOM 834 CG PHE A 56 -5.239 0.694 -0.166 1.00 0.00 C ATOM 835 CD1 PHE A 56 -5.069 -0.387 -1.016 1.00 0.00 C ATOM 836 CD2 PHE A 56 -4.273 0.943 0.795 1.00 0.00 C ATOM 837 CE1 PHE A 56 -3.959 -1.203 -0.911 1.00 0.00 C ATOM 838 CE2 PHE A 56 -3.160 0.131 0.906 1.00 0.00 C ATOM 839 CZ PHE A 56 -3.003 -0.944 0.052 1.00 0.00 C ATOM 0 H PHE A 56 -6.884 -0.573 1.409 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.490 1.690 0.372 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.572 1.871 -1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.275 2.493 0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.814 -0.594 -1.770 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.391 1.781 1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.839 -2.042 -1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.414 0.336 1.659 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.135 -1.580 0.137 1.00 0.00 H new ATOM 849 N PRO A 57 -8.989 0.487 -1.836 1.00 0.00 N ATOM 850 CA PRO A 57 -9.561 -0.313 -2.923 1.00 0.00 C ATOM 851 C PRO A 57 -8.495 -0.850 -3.871 1.00 0.00 C ATOM 852 O PRO A 57 -7.618 -0.110 -4.317 1.00 0.00 O ATOM 853 CB PRO A 57 -10.473 0.679 -3.651 1.00 0.00 C ATOM 854 CG PRO A 57 -9.891 2.017 -3.353 1.00 0.00 C ATOM 855 CD PRO A 57 -9.312 1.918 -1.969 1.00 0.00 C ATOM 0 HA PRO A 57 -10.080 -1.196 -2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.492 0.486 -4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.501 0.606 -3.296 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.122 2.279 -4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -10.654 2.794 -3.402 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.425 2.542 -1.859 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.025 2.241 -1.211 1.00 0.00 H new ATOM 863 N SER A 58 -8.576 -2.141 -4.175 1.00 0.00 N ATOM 864 CA SER A 58 -7.615 -2.779 -5.067 1.00 0.00 C ATOM 865 C SER A 58 -7.610 -2.100 -6.434 1.00 0.00 C ATOM 866 O SER A 58 -6.579 -2.039 -7.105 1.00 0.00 O ATOM 867 CB SER A 58 -7.941 -4.265 -5.225 1.00 0.00 C ATOM 868 OG SER A 58 -7.014 -4.902 -6.087 1.00 0.00 O ATOM 0 H SER A 58 -9.298 -2.766 -3.816 1.00 0.00 H new ATOM 0 HA SER A 58 -6.624 -2.677 -4.625 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.927 -4.749 -4.249 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.950 -4.379 -5.622 1.00 0.00 H new ATOM 0 HG SER A 58 -7.243 -5.851 -6.170 1.00 0.00 H new ATOM 874 N ASP A 59 -8.768 -1.591 -6.839 1.00 0.00 N ATOM 875 CA ASP A 59 -8.898 -0.915 -8.125 1.00 0.00 C ATOM 876 C ASP A 59 -7.997 0.314 -8.186 1.00 0.00 C ATOM 877 O ASP A 59 -7.631 0.774 -9.268 1.00 0.00 O ATOM 878 CB ASP A 59 -10.353 -0.509 -8.366 1.00 0.00 C ATOM 879 CG ASP A 59 -11.263 -1.706 -8.565 1.00 0.00 C ATOM 880 OD1 ASP A 59 -11.350 -2.202 -9.708 1.00 0.00 O ATOM 881 OD2 ASP A 59 -11.886 -2.147 -7.577 1.00 0.00 O ATOM 0 H ASP A 59 -9.630 -1.633 -6.296 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.588 -1.609 -8.906 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.709 0.077 -7.519 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.407 0.135 -9.244 1.00 0.00 H new ATOM 886 N TYR A 60 -7.644 0.841 -7.019 1.00 0.00 N ATOM 887 CA TYR A 60 -6.789 2.019 -6.940 1.00 0.00 C ATOM 888 C TYR A 60 -5.315 1.627 -6.984 1.00 0.00 C ATOM 889 O TYR A 60 -4.461 2.418 -7.384 1.00 0.00 O ATOM 890 CB TYR A 60 -7.082 2.803 -5.660 1.00 0.00 C ATOM 891 CG TYR A 60 -8.267 3.734 -5.778 1.00 0.00 C ATOM 892 CD1 TYR A 60 -9.514 3.258 -6.162 1.00 0.00 C ATOM 893 CD2 TYR A 60 -8.140 5.091 -5.503 1.00 0.00 C ATOM 894 CE1 TYR A 60 -10.600 4.106 -6.272 1.00 0.00 C ATOM 895 CE2 TYR A 60 -9.220 5.945 -5.608 1.00 0.00 C ATOM 896 CZ TYR A 60 -10.448 5.448 -5.994 1.00 0.00 C ATOM 897 OH TYR A 60 -11.527 6.295 -6.100 1.00 0.00 O ATOM 0 H TYR A 60 -7.937 0.471 -6.115 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.004 2.651 -7.802 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.263 2.100 -4.847 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.200 3.384 -5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.637 2.207 -6.378 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.180 5.484 -5.202 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.562 3.720 -6.574 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.104 6.996 -5.389 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.251 7.207 -5.869 1.00 0.00 H new ATOM 907 N VAL A 61 -5.024 0.398 -6.568 1.00 0.00 N ATOM 908 CA VAL A 61 -3.655 -0.103 -6.561 1.00 0.00 C ATOM 909 C VAL A 61 -3.474 -1.224 -7.578 1.00 0.00 C ATOM 910 O VAL A 61 -4.233 -2.194 -7.589 1.00 0.00 O ATOM 911 CB VAL A 61 -3.254 -0.619 -5.166 1.00 0.00 C ATOM 912 CG1 VAL A 61 -2.945 0.543 -4.235 1.00 0.00 C ATOM 913 CG2 VAL A 61 -4.352 -1.499 -4.588 1.00 0.00 C ATOM 0 H VAL A 61 -5.719 -0.269 -6.231 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.010 0.734 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.352 -1.222 -5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.664 0.159 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.122 1.129 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.827 1.176 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.052 -1.855 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.273 -0.922 -4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.519 -2.352 -5.246 1.00 0.00 H new ATOM 923 N ILE A 62 -2.464 -1.086 -8.430 1.00 0.00 N ATOM 924 CA ILE A 62 -2.182 -2.088 -9.449 1.00 0.00 C ATOM 925 C ILE A 62 -0.909 -2.861 -9.124 1.00 0.00 C ATOM 926 O ILE A 62 0.108 -2.292 -8.726 1.00 0.00 O ATOM 927 CB ILE A 62 -2.039 -1.448 -10.843 1.00 0.00 C ATOM 928 CG1 ILE A 62 -2.347 -2.476 -11.934 1.00 0.00 C ATOM 929 CG2 ILE A 62 -0.639 -0.880 -11.023 1.00 0.00 C ATOM 930 CD1 ILE A 62 -2.372 -1.889 -13.328 1.00 0.00 C ATOM 0 H ILE A 62 -1.827 -0.289 -8.434 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.028 -2.775 -9.458 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.756 -0.631 -10.927 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.600 -3.269 -11.896 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.312 -2.937 -11.725 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.553 -0.431 -12.013 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.454 -0.121 -10.263 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.094 -1.680 -10.923 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.596 -2.675 -14.050 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.138 -1.116 -13.384 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.400 -1.453 -13.557 1.00 0.00 H new ATOM 942 N PRO A 63 -0.963 -4.190 -9.297 1.00 0.00 N ATOM 943 CA PRO A 63 0.178 -5.070 -9.030 1.00 0.00 C ATOM 944 C PRO A 63 1.303 -4.885 -10.043 1.00 0.00 C ATOM 945 O PRO A 63 1.212 -5.350 -11.179 1.00 0.00 O ATOM 946 CB PRO A 63 -0.421 -6.474 -9.147 1.00 0.00 C ATOM 947 CG PRO A 63 -1.597 -6.310 -10.046 1.00 0.00 C ATOM 948 CD PRO A 63 -2.142 -4.936 -9.768 1.00 0.00 C ATOM 0 HA PRO A 63 0.632 -4.865 -8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.300 -7.179 -9.562 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.719 -6.860 -8.172 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.306 -6.410 -11.092 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.348 -7.075 -9.850 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.571 -4.485 -10.663 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.929 -4.961 -9.014 1.00 0.00 H new ATOM 956 N VAL A 64 2.364 -4.203 -9.624 1.00 0.00 N ATOM 957 CA VAL A 64 3.508 -3.958 -10.494 1.00 0.00 C ATOM 958 C VAL A 64 4.288 -5.242 -10.751 1.00 0.00 C ATOM 959 O VAL A 64 4.119 -6.235 -10.044 1.00 0.00 O ATOM 960 CB VAL A 64 4.457 -2.905 -9.891 1.00 0.00 C ATOM 961 CG1 VAL A 64 3.769 -1.551 -9.808 1.00 0.00 C ATOM 962 CG2 VAL A 64 4.943 -3.350 -8.520 1.00 0.00 C ATOM 0 H VAL A 64 2.455 -3.810 -8.687 1.00 0.00 H new ATOM 0 HA VAL A 64 3.113 -3.582 -11.438 1.00 0.00 H new ATOM 0 HB VAL A 64 5.324 -2.806 -10.544 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.455 -0.820 -9.380 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.475 -1.230 -10.807 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.884 -1.631 -9.177 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.612 -2.595 -8.108 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.089 -3.479 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.477 -4.296 -8.613 1.00 0.00 H new ATOM 972 N SER A 65 5.144 -5.215 -11.768 1.00 0.00 N ATOM 973 CA SER A 65 5.949 -6.378 -12.121 1.00 0.00 C ATOM 974 C SER A 65 7.164 -5.968 -12.948 1.00 0.00 C ATOM 975 O SER A 65 7.030 -5.338 -13.997 1.00 0.00 O ATOM 976 CB SER A 65 5.107 -7.391 -12.899 1.00 0.00 C ATOM 977 OG SER A 65 4.800 -6.910 -14.196 1.00 0.00 O ATOM 0 H SER A 65 5.298 -4.400 -12.362 1.00 0.00 H new ATOM 0 HA SER A 65 6.299 -6.840 -11.198 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.647 -8.335 -12.976 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.184 -7.595 -12.356 1.00 0.00 H new ATOM 0 HG SER A 65 5.498 -6.287 -14.488 1.00 0.00 H new ATOM 983 N GLY A 66 8.349 -6.330 -12.468 1.00 0.00 N ATOM 984 CA GLY A 66 9.571 -5.991 -13.174 1.00 0.00 C ATOM 985 C GLY A 66 10.150 -4.664 -12.727 1.00 0.00 C ATOM 986 O GLY A 66 9.438 -3.781 -12.249 1.00 0.00 O ATOM 0 H GLY A 66 8.485 -6.852 -11.602 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.309 -6.778 -13.015 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.370 -5.954 -14.245 1.00 0.00 H new ATOM 990 N PRO A 67 11.474 -4.510 -12.880 1.00 0.00 N ATOM 991 CA PRO A 67 12.179 -3.284 -12.493 1.00 0.00 C ATOM 992 C PRO A 67 11.838 -2.108 -13.402 1.00 0.00 C ATOM 993 O PRO A 67 12.351 -2.004 -14.516 1.00 0.00 O ATOM 994 CB PRO A 67 13.655 -3.662 -12.638 1.00 0.00 C ATOM 995 CG PRO A 67 13.667 -4.762 -13.643 1.00 0.00 C ATOM 996 CD PRO A 67 12.385 -5.521 -13.442 1.00 0.00 C ATOM 0 HA PRO A 67 11.906 -2.956 -11.490 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.250 -2.813 -12.973 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.075 -3.990 -11.687 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.730 -4.364 -14.656 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.531 -5.411 -13.501 1.00 0.00 H new ATOM 0 HD2 PRO A 67 12.006 -5.926 -14.381 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.519 -6.363 -12.763 1.00 0.00 H new ATOM 1004 N SER A 68 10.970 -1.225 -12.920 1.00 0.00 N ATOM 1005 CA SER A 68 10.559 -0.058 -13.691 1.00 0.00 C ATOM 1006 C SER A 68 11.261 1.200 -13.189 1.00 0.00 C ATOM 1007 O SER A 68 11.843 1.953 -13.969 1.00 0.00 O ATOM 1008 CB SER A 68 9.042 0.124 -13.611 1.00 0.00 C ATOM 1009 OG SER A 68 8.379 -0.707 -14.548 1.00 0.00 O ATOM 0 H SER A 68 10.538 -1.296 -11.999 1.00 0.00 H new ATOM 0 HA SER A 68 10.844 -0.221 -14.730 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.697 -0.111 -12.604 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.787 1.167 -13.800 1.00 0.00 H new ATOM 0 HG SER A 68 7.411 -0.574 -14.476 1.00 0.00 H new ATOM 1015 N SER A 69 11.200 1.421 -11.880 1.00 0.00 N ATOM 1016 CA SER A 69 11.826 2.590 -11.272 1.00 0.00 C ATOM 1017 C SER A 69 11.259 3.878 -11.862 1.00 0.00 C ATOM 1018 O SER A 69 11.998 4.817 -12.154 1.00 0.00 O ATOM 1019 CB SER A 69 13.342 2.546 -11.474 1.00 0.00 C ATOM 1020 OG SER A 69 14.011 3.305 -10.482 1.00 0.00 O ATOM 0 H SER A 69 10.724 0.806 -11.220 1.00 0.00 H new ATOM 0 HA SER A 69 11.609 2.574 -10.204 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.687 1.513 -11.440 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.592 2.933 -12.462 1.00 0.00 H new ATOM 0 HG SER A 69 14.978 3.260 -10.632 1.00 0.00 H new ATOM 1026 N GLY A 70 9.942 3.913 -12.034 1.00 0.00 N ATOM 1027 CA GLY A 70 9.297 5.089 -12.588 1.00 0.00 C ATOM 1028 C GLY A 70 7.823 4.868 -12.861 1.00 0.00 C ATOM 1029 O GLY A 70 7.444 4.440 -13.951 1.00 0.00 O ATOM 0 H GLY A 70 9.310 3.148 -11.800 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.414 5.923 -11.896 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.797 5.371 -13.515 1.00 0.00 H new TER 1033 GLY A 70