USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 579 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 32 SER OG : rot -161:sc= 1 USER MOD Set 1.2: A 48 ASN : amide:sc= 1.24 K(o=2.2,f=1.6) USER MOD Set 2.1: A 15 LYS NZ :NH3+ 162:sc= 1.07 (180deg=0.529) USER MOD Set 2.2: A 19 SER OG : rot -53:sc= 1.52 USER MOD Set 3.1: A 3 SER OG : rot -134:sc= 0.859 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0.191 USER MOD Single : A 1 ASN : amide:sc= -0.862 K(o=-0.86,f=-0.27) USER MOD Single : A 1 ASN N :NH3+ -108:sc= 0.0761 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 10:sc= 0.727 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 159:sc= -0.475 (180deg=-0.788) USER MOD Single : A 13 HIS : no HE2:sc= -2.54! C(o=-2.5!,f=-3.6!) USER MOD Single : A 14 CYS SG : rot -106:sc= 0.255 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -35:sc= -3.01! USER MOD Single : A 20 ASN : amide:sc= 0.466 X(o=0.47,f=-0.018) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 82:sc= 0.104 USER MOD Single : A 26 SER OG : rot -45:sc= 0.951 USER MOD Single : A 29 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 32:sc= 1.24 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.29 X(o=0.29,f=0) USER MOD Single : A 42 SER OG : rot -73:sc= 1.2 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 56 SER OG : rot 84:sc= 0.528 USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= 2.45 (180deg=2.3) USER MOD Single : A 65 SER OG : rot 119:sc= 1.08 USER MOD Single : A 69 TYR OH : rot 130:sc= -0.581 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -65:sc= 0.83 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -11.910 -15.152 -6.243 1.00 0.00 N ATOM 2 CA ASN A 1 -10.837 -14.210 -6.593 1.00 0.00 C ATOM 3 C ASN A 1 -10.923 -12.930 -5.734 1.00 0.00 C ATOM 4 O ASN A 1 -11.882 -12.703 -4.992 1.00 0.00 O ATOM 5 CB ASN A 1 -10.774 -13.913 -8.112 1.00 0.00 C ATOM 6 CG ASN A 1 -9.372 -13.549 -8.596 1.00 0.00 C ATOM 7 OD1 ASN A 1 -8.568 -14.418 -8.890 1.00 0.00 O ATOM 8 ND2 ASN A 1 -9.011 -12.282 -8.672 1.00 0.00 N ATOM 0 H1 ASN A 1 -11.507 -15.961 -5.729 1.00 0.00 H new ATOM 0 H2 ASN A 1 -12.610 -14.673 -5.641 1.00 0.00 H new ATOM 0 H3 ASN A 1 -12.373 -15.489 -7.111 1.00 0.00 H new ATOM 0 HA ASN A 1 -9.889 -14.693 -6.356 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -11.126 -14.786 -8.661 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -11.455 -13.095 -8.344 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -8.068 -12.038 -8.974 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -9.675 -11.547 -8.429 1.00 0.00 H new ATOM 15 N ASP A 2 -9.899 -12.090 -5.832 1.00 0.00 N ATOM 16 CA ASP A 2 -9.699 -10.831 -5.139 1.00 0.00 C ATOM 17 C ASP A 2 -9.761 -9.630 -6.104 1.00 0.00 C ATOM 18 O ASP A 2 -9.756 -9.779 -7.327 1.00 0.00 O ATOM 19 CB ASP A 2 -8.331 -10.844 -4.397 1.00 0.00 C ATOM 20 CG ASP A 2 -7.426 -12.076 -4.597 1.00 0.00 C ATOM 21 OD1 ASP A 2 -7.178 -12.516 -5.745 1.00 0.00 O ATOM 22 OD2 ASP A 2 -6.900 -12.611 -3.599 1.00 0.00 O ATOM 0 H ASP A 2 -9.119 -12.296 -6.456 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.507 -10.719 -4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.771 -9.961 -4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.526 -10.739 -3.330 1.00 0.00 H new ATOM 27 N SER A 3 -9.832 -8.425 -5.542 1.00 0.00 N ATOM 28 CA SER A 3 -9.552 -7.183 -6.262 1.00 0.00 C ATOM 29 C SER A 3 -8.046 -6.891 -6.135 1.00 0.00 C ATOM 30 O SER A 3 -7.321 -7.543 -5.378 1.00 0.00 O ATOM 31 CB SER A 3 -10.356 -6.013 -5.681 1.00 0.00 C ATOM 32 OG SER A 3 -10.169 -4.832 -6.446 1.00 0.00 O ATOM 0 H SER A 3 -10.088 -8.281 -4.565 1.00 0.00 H new ATOM 0 HA SER A 3 -9.840 -7.296 -7.307 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.415 -6.271 -5.659 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.050 -5.834 -4.650 1.00 0.00 H new ATOM 0 HG SER A 3 -10.005 -4.075 -5.845 1.00 0.00 H new ATOM 38 N THR A 4 -7.546 -5.889 -6.852 1.00 0.00 N ATOM 39 CA THR A 4 -6.119 -5.533 -6.876 1.00 0.00 C ATOM 40 C THR A 4 -5.944 -4.086 -7.300 1.00 0.00 C ATOM 41 O THR A 4 -6.600 -3.597 -8.216 1.00 0.00 O ATOM 42 CB THR A 4 -5.314 -6.512 -7.746 1.00 0.00 C ATOM 43 OG1 THR A 4 -5.231 -7.721 -7.049 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.872 -6.084 -8.038 1.00 0.00 C ATOM 0 H THR A 4 -8.123 -5.290 -7.443 1.00 0.00 H new ATOM 0 HA THR A 4 -5.716 -5.624 -5.867 1.00 0.00 H new ATOM 0 HB THR A 4 -5.835 -6.568 -8.702 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.829 -7.693 -6.273 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.387 -6.838 -8.658 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.875 -5.129 -8.564 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.327 -5.979 -7.100 1.00 0.00 H new ATOM 52 N ALA A 5 -5.031 -3.413 -6.609 1.00 0.00 N ATOM 53 CA ALA A 5 -4.629 -2.039 -6.851 1.00 0.00 C ATOM 54 C ALA A 5 -3.129 -1.858 -6.580 1.00 0.00 C ATOM 55 O ALA A 5 -2.514 -2.631 -5.828 1.00 0.00 O ATOM 56 CB ALA A 5 -5.474 -1.118 -5.962 1.00 0.00 C ATOM 0 H ALA A 5 -4.529 -3.834 -5.828 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.798 -1.781 -7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.184 -0.081 -6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.529 -1.244 -6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.311 -1.373 -4.915 1.00 0.00 H new ATOM 62 N THR A 6 -2.574 -0.798 -7.177 1.00 0.00 N ATOM 63 CA THR A 6 -1.194 -0.357 -6.977 1.00 0.00 C ATOM 64 C THR A 6 -1.191 1.058 -6.434 1.00 0.00 C ATOM 65 O THR A 6 -1.983 1.905 -6.843 1.00 0.00 O ATOM 66 CB THR A 6 -0.378 -0.416 -8.267 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.468 -1.709 -8.813 1.00 0.00 O ATOM 68 CG2 THR A 6 1.104 -0.137 -8.015 1.00 0.00 C ATOM 0 H THR A 6 -3.089 -0.208 -7.831 1.00 0.00 H new ATOM 0 HA THR A 6 -0.728 -1.036 -6.264 1.00 0.00 H new ATOM 0 HB THR A 6 -0.780 0.341 -8.940 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.053 -1.751 -9.642 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.649 -0.188 -8.957 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.219 0.857 -7.583 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.502 -0.881 -7.325 1.00 0.00 H new ATOM 76 N PHE A 7 -0.261 1.307 -5.523 1.00 0.00 N ATOM 77 CA PHE A 7 -0.064 2.585 -4.856 1.00 0.00 C ATOM 78 C PHE A 7 1.431 2.899 -4.785 1.00 0.00 C ATOM 79 O PHE A 7 2.242 2.017 -4.512 1.00 0.00 O ATOM 80 CB PHE A 7 -0.657 2.540 -3.444 1.00 0.00 C ATOM 81 CG PHE A 7 -2.054 1.932 -3.351 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.254 0.533 -3.284 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.177 2.782 -3.414 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.552 0.006 -3.321 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.475 2.247 -3.426 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.662 0.860 -3.395 1.00 0.00 C ATOM 0 H PHE A 7 0.403 0.596 -5.217 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.570 3.366 -5.423 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.015 1.970 -2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.692 3.555 -3.048 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.405 -0.130 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.038 3.852 -3.453 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.698 -1.064 -3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.330 2.906 -3.459 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.660 0.448 -3.428 1.00 0.00 H new ATOM 96 N ILE A 8 1.812 4.152 -5.001 1.00 0.00 N ATOM 97 CA ILE A 8 3.197 4.608 -4.921 1.00 0.00 C ATOM 98 C ILE A 8 3.342 5.709 -3.894 1.00 0.00 C ATOM 99 O ILE A 8 2.478 6.583 -3.780 1.00 0.00 O ATOM 100 CB ILE A 8 3.685 5.039 -6.317 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.214 5.168 -6.327 1.00 0.00 C ATOM 102 CG2 ILE A 8 3.024 6.342 -6.795 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.795 4.934 -7.720 1.00 0.00 C ATOM 0 H ILE A 8 1.156 4.895 -5.241 1.00 0.00 H new ATOM 0 HA ILE A 8 3.830 3.786 -4.588 1.00 0.00 H new ATOM 0 HB ILE A 8 3.387 4.261 -7.020 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.497 6.161 -5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.644 4.450 -5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.403 6.601 -7.784 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.944 6.205 -6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.256 7.145 -6.096 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.880 5.034 -7.683 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.535 3.931 -8.059 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.386 5.669 -8.413 1.00 0.00 H new ATOM 115 N ILE A 9 4.442 5.622 -3.155 1.00 0.00 N ATOM 116 CA ILE A 9 4.762 6.522 -2.077 1.00 0.00 C ATOM 117 C ILE A 9 5.930 7.425 -2.471 1.00 0.00 C ATOM 118 O ILE A 9 6.813 7.014 -3.222 1.00 0.00 O ATOM 119 CB ILE A 9 5.102 5.723 -0.796 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.108 4.585 -0.459 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.126 6.669 0.420 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.299 3.240 -1.147 1.00 0.00 C ATOM 0 H ILE A 9 5.148 4.901 -3.301 1.00 0.00 H new ATOM 0 HA ILE A 9 3.894 7.149 -1.874 1.00 0.00 H new ATOM 0 HB ILE A 9 6.072 5.270 -1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.145 4.417 0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.104 4.939 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.366 6.101 1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.881 7.440 0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.148 7.136 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.528 2.546 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.224 3.370 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.282 2.840 -0.897 1.00 0.00 H new ATOM 134 N ASP A 10 5.901 8.647 -1.948 1.00 0.00 N ATOM 135 CA ASP A 10 7.060 9.551 -1.880 1.00 0.00 C ATOM 136 C ASP A 10 7.281 9.954 -0.403 1.00 0.00 C ATOM 137 O ASP A 10 6.302 10.134 0.325 1.00 0.00 O ATOM 138 CB ASP A 10 6.892 10.777 -2.790 1.00 0.00 C ATOM 139 CG ASP A 10 8.173 11.616 -2.904 1.00 0.00 C ATOM 140 OD1 ASP A 10 9.276 11.090 -2.635 1.00 0.00 O ATOM 141 OD2 ASP A 10 8.023 12.816 -3.243 1.00 0.00 O ATOM 0 H ASP A 10 5.054 9.052 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 10 7.943 9.031 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.590 10.447 -3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.087 11.402 -2.404 1.00 0.00 H new ATOM 146 N GLY A 11 8.546 10.056 0.040 1.00 0.00 N ATOM 147 CA GLY A 11 8.966 10.331 1.437 1.00 0.00 C ATOM 148 C GLY A 11 9.733 9.172 2.080 1.00 0.00 C ATOM 149 O GLY A 11 10.591 9.323 2.949 1.00 0.00 O ATOM 0 H GLY A 11 9.342 9.945 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.592 11.224 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.083 10.551 2.038 1.00 0.00 H new ATOM 153 N MET A 12 9.427 7.987 1.584 1.00 0.00 N ATOM 154 CA MET A 12 9.730 6.664 2.095 1.00 0.00 C ATOM 155 C MET A 12 11.217 6.207 2.110 1.00 0.00 C ATOM 156 O MET A 12 11.922 6.087 1.116 1.00 0.00 O ATOM 157 CB MET A 12 8.761 5.769 1.308 1.00 0.00 C ATOM 158 CG MET A 12 9.206 5.382 -0.100 1.00 0.00 C ATOM 159 SD MET A 12 9.098 6.734 -1.291 1.00 0.00 S ATOM 160 CE MET A 12 10.764 7.445 -1.336 1.00 0.00 C ATOM 0 H MET A 12 8.900 7.923 0.713 1.00 0.00 H new ATOM 0 HA MET A 12 9.584 6.619 3.174 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.595 4.856 1.880 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.801 6.280 1.237 1.00 0.00 H new ATOM 0 HG2 MET A 12 10.235 5.025 -0.061 1.00 0.00 H new ATOM 0 HG3 MET A 12 8.593 4.551 -0.450 1.00 0.00 H new ATOM 0 HE1 MET A 12 10.898 8.000 -2.265 1.00 0.00 H new ATOM 0 HE2 MET A 12 10.895 8.118 -0.489 1.00 0.00 H new ATOM 0 HE3 MET A 12 11.503 6.645 -1.282 1.00 0.00 H new ATOM 170 N HIS A 13 11.681 5.807 3.285 1.00 0.00 N ATOM 171 CA HIS A 13 13.034 5.338 3.632 1.00 0.00 C ATOM 172 C HIS A 13 13.450 3.903 3.173 1.00 0.00 C ATOM 173 O HIS A 13 13.830 3.058 3.986 1.00 0.00 O ATOM 174 CB HIS A 13 13.240 5.534 5.152 1.00 0.00 C ATOM 175 CG HIS A 13 12.388 6.612 5.767 1.00 0.00 C ATOM 176 ND1 HIS A 13 12.651 7.963 5.834 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.081 6.439 6.130 1.00 0.00 C ATOM 178 CE1 HIS A 13 11.527 8.578 6.240 1.00 0.00 C ATOM 179 NE2 HIS A 13 10.549 7.681 6.429 1.00 0.00 N ATOM 0 H HIS A 13 11.071 5.798 4.102 1.00 0.00 H new ATOM 0 HA HIS A 13 13.711 5.955 3.040 1.00 0.00 H new ATOM 0 HB2 HIS A 13 13.031 4.591 5.658 1.00 0.00 H new ATOM 0 HB3 HIS A 13 14.288 5.769 5.336 1.00 0.00 H new ATOM 0 HD1 HIS A 13 13.539 8.415 5.615 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.555 5.497 6.175 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.426 9.642 6.392 1.00 0.00 H new ATOM 187 N CYS A 14 13.366 3.591 1.878 1.00 0.00 N ATOM 188 CA CYS A 14 13.997 2.399 1.248 1.00 0.00 C ATOM 189 C CYS A 14 13.441 1.029 1.740 1.00 0.00 C ATOM 190 O CYS A 14 12.242 0.879 1.951 1.00 0.00 O ATOM 191 CB CYS A 14 15.524 2.564 1.433 1.00 0.00 C ATOM 192 SG CYS A 14 16.487 1.520 0.301 1.00 0.00 S ATOM 0 H CYS A 14 12.849 4.165 1.212 1.00 0.00 H new ATOM 0 HA CYS A 14 13.742 2.364 0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.794 3.608 1.275 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.789 2.318 2.461 1.00 0.00 H new ATOM 0 HG CYS A 14 17.002 0.525 0.961 1.00 0.00 H new ATOM 198 N LYS A 15 14.266 -0.014 1.924 1.00 0.00 N ATOM 199 CA LYS A 15 13.791 -1.329 2.419 1.00 0.00 C ATOM 200 C LYS A 15 13.031 -1.180 3.755 1.00 0.00 C ATOM 201 O LYS A 15 12.070 -1.901 4.000 1.00 0.00 O ATOM 202 CB LYS A 15 14.969 -2.321 2.550 1.00 0.00 C ATOM 203 CG LYS A 15 14.769 -3.802 2.133 1.00 0.00 C ATOM 204 CD LYS A 15 13.429 -4.538 2.373 1.00 0.00 C ATOM 205 CE LYS A 15 12.447 -4.543 1.179 1.00 0.00 C ATOM 206 NZ LYS A 15 11.331 -5.514 1.382 1.00 0.00 N ATOM 0 H LYS A 15 15.268 0.022 1.739 1.00 0.00 H new ATOM 0 HA LYS A 15 13.091 -1.734 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 15 15.797 -1.925 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.287 -2.315 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.975 -3.860 1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.542 -4.380 2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.646 -5.571 2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.931 -4.080 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.037 -3.542 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.986 -4.795 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.549 -5.284 0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.669 -6.478 1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.997 -5.458 2.365 1.00 0.00 H new ATOM 220 N SER A 16 13.397 -0.199 4.584 1.00 0.00 N ATOM 221 CA SER A 16 12.709 0.074 5.845 1.00 0.00 C ATOM 222 C SER A 16 11.275 0.563 5.628 1.00 0.00 C ATOM 223 O SER A 16 10.368 -0.080 6.148 1.00 0.00 O ATOM 224 CB SER A 16 13.496 1.081 6.695 1.00 0.00 C ATOM 225 OG SER A 16 14.870 0.735 6.738 1.00 0.00 O ATOM 0 H SER A 16 14.180 0.428 4.398 1.00 0.00 H new ATOM 0 HA SER A 16 12.653 -0.871 6.385 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.381 2.083 6.281 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.090 1.106 7.706 1.00 0.00 H new ATOM 0 HG SER A 16 15.355 1.389 7.283 1.00 0.00 H new ATOM 231 N CYS A 17 11.027 1.626 4.834 1.00 0.00 N ATOM 232 CA CYS A 17 9.651 2.049 4.530 1.00 0.00 C ATOM 233 C CYS A 17 8.860 0.889 3.946 1.00 0.00 C ATOM 234 O CYS A 17 7.860 0.506 4.541 1.00 0.00 O ATOM 235 CB CYS A 17 9.642 3.294 3.629 1.00 0.00 C ATOM 236 SG CYS A 17 10.343 3.014 1.990 1.00 0.00 S ATOM 0 H CYS A 17 11.752 2.197 4.399 1.00 0.00 H new ATOM 0 HA CYS A 17 9.155 2.340 5.456 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.616 3.644 3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.200 4.091 4.121 1.00 0.00 H new ATOM 0 HG CYS A 17 11.328 2.170 2.078 1.00 0.00 H new ATOM 242 N VAL A 18 9.374 0.295 2.873 1.00 0.00 N ATOM 243 CA VAL A 18 8.840 -0.844 2.154 1.00 0.00 C ATOM 244 C VAL A 18 8.377 -1.941 3.109 1.00 0.00 C ATOM 245 O VAL A 18 7.215 -2.318 3.045 1.00 0.00 O ATOM 246 CB VAL A 18 9.931 -1.313 1.186 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.739 -2.747 0.714 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.051 -0.310 0.031 1.00 0.00 C ATOM 0 H VAL A 18 10.243 0.628 2.456 1.00 0.00 H new ATOM 0 HA VAL A 18 7.948 -0.570 1.591 1.00 0.00 H new ATOM 0 HB VAL A 18 10.879 -1.335 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.545 -3.016 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.752 -3.418 1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.783 -2.835 0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.827 -0.641 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.099 -0.246 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.313 0.671 0.427 1.00 0.00 H new ATOM 258 N SER A 19 9.220 -2.418 4.024 1.00 0.00 N ATOM 259 CA SER A 19 8.835 -3.528 4.896 1.00 0.00 C ATOM 260 C SER A 19 7.785 -3.169 5.949 1.00 0.00 C ATOM 261 O SER A 19 6.973 -4.035 6.282 1.00 0.00 O ATOM 262 CB SER A 19 10.084 -4.224 5.424 1.00 0.00 C ATOM 263 OG SER A 19 10.649 -4.970 4.348 1.00 0.00 O ATOM 0 H SER A 19 10.162 -2.059 4.180 1.00 0.00 H new ATOM 0 HA SER A 19 8.294 -4.261 4.297 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.800 -3.493 5.800 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.833 -4.882 6.256 1.00 0.00 H new ATOM 0 HG SER A 19 9.966 -5.558 3.964 1.00 0.00 H new ATOM 269 N ASN A 20 7.685 -1.902 6.381 1.00 0.00 N ATOM 270 CA ASN A 20 6.490 -1.483 7.133 1.00 0.00 C ATOM 271 C ASN A 20 5.246 -1.674 6.256 1.00 0.00 C ATOM 272 O ASN A 20 4.257 -2.214 6.715 1.00 0.00 O ATOM 273 CB ASN A 20 6.489 -0.007 7.527 1.00 0.00 C ATOM 274 CG ASN A 20 7.495 0.405 8.568 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.243 0.448 9.763 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.657 0.808 8.118 1.00 0.00 N ATOM 0 H ASN A 20 8.385 -1.175 6.232 1.00 0.00 H new ATOM 0 HA ASN A 20 6.490 -2.093 8.036 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.662 0.587 6.630 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.494 0.249 7.892 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.360 1.161 8.767 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.859 0.768 7.119 1.00 0.00 H new ATOM 283 N ILE A 21 5.280 -1.239 4.991 1.00 0.00 N ATOM 284 CA ILE A 21 4.098 -1.260 4.103 1.00 0.00 C ATOM 285 C ILE A 21 3.704 -2.691 3.710 1.00 0.00 C ATOM 286 O ILE A 21 2.516 -3.006 3.730 1.00 0.00 O ATOM 287 CB ILE A 21 4.272 -0.358 2.851 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.411 0.681 2.973 1.00 0.00 C ATOM 289 CG2 ILE A 21 2.915 0.269 2.496 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.462 1.753 1.879 1.00 0.00 C ATOM 0 H ILE A 21 6.120 -0.863 4.550 1.00 0.00 H new ATOM 0 HA ILE A 21 3.277 -0.837 4.682 1.00 0.00 H new ATOM 0 HB ILE A 21 4.599 -0.989 2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.320 1.179 3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.362 0.149 2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.027 0.905 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.194 -0.520 2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.560 0.868 3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.299 2.425 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.591 1.276 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.532 2.322 1.883 1.00 0.00 H new ATOM 302 N GLU A 22 4.693 -3.551 3.432 1.00 0.00 N ATOM 303 CA GLU A 22 4.530 -4.992 3.236 1.00 0.00 C ATOM 304 C GLU A 22 3.808 -5.594 4.456 1.00 0.00 C ATOM 305 O GLU A 22 2.839 -6.328 4.300 1.00 0.00 O ATOM 306 CB GLU A 22 5.915 -5.663 3.026 1.00 0.00 C ATOM 307 CG GLU A 22 6.681 -5.250 1.746 1.00 0.00 C ATOM 308 CD GLU A 22 8.161 -5.683 1.676 1.00 0.00 C ATOM 309 OE1 GLU A 22 8.860 -5.831 2.709 1.00 0.00 O ATOM 310 OE2 GLU A 22 8.717 -5.728 0.557 1.00 0.00 O ATOM 0 H GLU A 22 5.662 -3.248 3.335 1.00 0.00 H new ATOM 0 HA GLU A 22 3.928 -5.174 2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.541 -5.437 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.774 -6.744 3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.160 -5.666 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.635 -4.165 1.653 1.00 0.00 H new ATOM 317 N SER A 23 4.226 -5.242 5.677 1.00 0.00 N ATOM 318 CA SER A 23 3.617 -5.717 6.928 1.00 0.00 C ATOM 319 C SER A 23 2.242 -5.104 7.250 1.00 0.00 C ATOM 320 O SER A 23 1.240 -5.818 7.299 1.00 0.00 O ATOM 321 CB SER A 23 4.622 -5.458 8.065 1.00 0.00 C ATOM 322 OG SER A 23 4.149 -5.948 9.307 1.00 0.00 O ATOM 0 H SER A 23 5.011 -4.608 5.828 1.00 0.00 H new ATOM 0 HA SER A 23 3.409 -6.781 6.812 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.573 -5.934 7.825 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.812 -4.388 8.145 1.00 0.00 H new ATOM 0 HG SER A 23 4.813 -5.767 10.004 1.00 0.00 H new ATOM 328 N THR A 24 2.193 -3.788 7.481 1.00 0.00 N ATOM 329 CA THR A 24 1.039 -2.993 7.923 1.00 0.00 C ATOM 330 C THR A 24 -0.151 -3.136 6.996 1.00 0.00 C ATOM 331 O THR A 24 -1.278 -3.175 7.488 1.00 0.00 O ATOM 332 CB THR A 24 1.446 -1.515 8.064 1.00 0.00 C ATOM 333 OG1 THR A 24 2.447 -1.441 9.051 1.00 0.00 O ATOM 334 CG2 THR A 24 0.286 -0.618 8.503 1.00 0.00 C ATOM 0 H THR A 24 3.021 -3.205 7.355 1.00 0.00 H new ATOM 0 HA THR A 24 0.726 -3.377 8.894 1.00 0.00 H new ATOM 0 HB THR A 24 1.785 -1.165 7.089 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.314 -1.671 8.656 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.633 0.412 8.585 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.515 -0.673 7.766 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.087 -0.953 9.471 1.00 0.00 H new ATOM 342 N LEU A 25 0.061 -3.243 5.681 1.00 0.00 N ATOM 343 CA LEU A 25 -1.038 -3.604 4.792 1.00 0.00 C ATOM 344 C LEU A 25 -1.445 -5.062 4.920 1.00 0.00 C ATOM 345 O LEU A 25 -2.640 -5.309 4.990 1.00 0.00 O ATOM 346 CB LEU A 25 -0.715 -3.285 3.344 1.00 0.00 C ATOM 347 CG LEU A 25 -0.518 -1.791 3.042 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.728 -1.628 1.541 1.00 0.00 C ATOM 349 CD2 LEU A 25 -1.492 -0.836 3.733 1.00 0.00 C ATOM 0 H LEU A 25 0.959 -3.089 5.222 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.885 -2.995 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.191 -3.821 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.519 -3.666 2.715 1.00 0.00 H new ATOM 0 HG LEU A 25 0.473 -1.527 3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.600 -0.581 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.000 -2.235 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.735 -1.951 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.260 0.190 3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.512 -1.075 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.400 -0.942 4.814 1.00 0.00 H new ATOM 361 N SER A 26 -0.520 -6.024 4.986 1.00 0.00 N ATOM 362 CA SER A 26 -0.843 -7.466 5.010 1.00 0.00 C ATOM 363 C SER A 26 -1.559 -7.946 6.297 1.00 0.00 C ATOM 364 O SER A 26 -1.676 -9.149 6.540 1.00 0.00 O ATOM 365 CB SER A 26 0.428 -8.292 4.754 1.00 0.00 C ATOM 366 OG SER A 26 0.116 -9.668 4.623 1.00 0.00 O ATOM 0 H SER A 26 0.481 -5.830 5.025 1.00 0.00 H new ATOM 0 HA SER A 26 -1.564 -7.625 4.208 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.921 -7.938 3.848 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.131 -8.150 5.575 1.00 0.00 H new ATOM 0 HG SER A 26 -0.506 -9.932 5.333 1.00 0.00 H new ATOM 372 N ALA A 27 -2.049 -7.015 7.117 1.00 0.00 N ATOM 373 CA ALA A 27 -2.819 -7.244 8.335 1.00 0.00 C ATOM 374 C ALA A 27 -4.265 -6.721 8.219 1.00 0.00 C ATOM 375 O ALA A 27 -5.024 -6.785 9.188 1.00 0.00 O ATOM 376 CB ALA A 27 -2.060 -6.558 9.479 1.00 0.00 C ATOM 0 H ALA A 27 -1.909 -6.021 6.935 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.915 -8.314 8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.601 -6.704 10.414 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.063 -6.991 9.566 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.975 -5.491 9.271 1.00 0.00 H new ATOM 382 N LEU A 28 -4.672 -6.177 7.062 1.00 0.00 N ATOM 383 CA LEU A 28 -5.973 -5.530 6.919 1.00 0.00 C ATOM 384 C LEU A 28 -7.106 -6.553 6.765 1.00 0.00 C ATOM 385 O LEU A 28 -6.990 -7.505 5.989 1.00 0.00 O ATOM 386 CB LEU A 28 -5.940 -4.562 5.728 1.00 0.00 C ATOM 387 CG LEU A 28 -4.995 -3.364 5.928 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.679 -2.693 4.589 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.631 -2.320 6.848 1.00 0.00 C ATOM 0 H LEU A 28 -4.111 -6.176 6.210 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.177 -4.968 7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.635 -5.109 4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.948 -4.191 5.545 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.078 -3.745 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.010 -1.849 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.199 -3.413 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.603 -2.339 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.946 -1.482 6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.561 -1.964 6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.839 -2.769 7.819 1.00 0.00 H new ATOM 401 N GLN A 29 -8.229 -6.305 7.449 1.00 0.00 N ATOM 402 CA GLN A 29 -9.436 -7.146 7.451 1.00 0.00 C ATOM 403 C GLN A 29 -10.210 -7.043 6.121 1.00 0.00 C ATOM 404 O GLN A 29 -11.326 -6.538 6.050 1.00 0.00 O ATOM 405 CB GLN A 29 -10.297 -6.813 8.686 1.00 0.00 C ATOM 406 CG GLN A 29 -11.442 -7.828 8.901 1.00 0.00 C ATOM 407 CD GLN A 29 -12.814 -7.167 9.042 1.00 0.00 C ATOM 408 OE1 GLN A 29 -13.453 -7.222 10.079 1.00 0.00 O ATOM 409 NE2 GLN A 29 -13.313 -6.516 8.016 1.00 0.00 N ATOM 0 H GLN A 29 -8.328 -5.480 8.041 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.142 -8.193 7.528 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.663 -6.793 9.572 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.718 -5.814 8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.465 -8.523 8.062 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.235 -8.415 9.796 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.789 -6.462 7.142 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.224 -6.064 8.093 1.00 0.00 H new ATOM 418 N TYR A 30 -9.576 -7.557 5.071 1.00 0.00 N ATOM 419 CA TYR A 30 -9.992 -7.641 3.671 1.00 0.00 C ATOM 420 C TYR A 30 -8.846 -8.014 2.723 1.00 0.00 C ATOM 421 O TYR A 30 -9.148 -8.434 1.618 1.00 0.00 O ATOM 422 CB TYR A 30 -10.731 -6.382 3.152 1.00 0.00 C ATOM 423 CG TYR A 30 -10.187 -4.990 3.479 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.821 -4.661 3.349 1.00 0.00 C ATOM 425 CD2 TYR A 30 -11.091 -3.977 3.863 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.376 -3.352 3.591 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.650 -2.660 4.104 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.284 -2.339 3.964 1.00 0.00 C ATOM 429 OH TYR A 30 -8.847 -1.068 4.192 1.00 0.00 O ATOM 0 H TYR A 30 -8.653 -7.973 5.193 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.714 -8.457 3.666 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.786 -6.462 2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.753 -6.428 3.527 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.112 -5.423 3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.139 -4.215 3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.327 -3.118 3.490 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.357 -1.898 4.396 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.607 -0.500 4.438 1.00 0.00 H new ATOM 439 N VAL A 31 -7.564 -7.834 3.075 1.00 0.00 N ATOM 440 CA VAL A 31 -6.478 -8.019 2.097 1.00 0.00 C ATOM 441 C VAL A 31 -6.051 -9.486 2.027 1.00 0.00 C ATOM 442 O VAL A 31 -5.952 -10.172 3.041 1.00 0.00 O ATOM 443 CB VAL A 31 -5.300 -7.039 2.242 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.425 -7.339 3.418 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.368 -7.014 1.016 1.00 0.00 C ATOM 0 H VAL A 31 -7.256 -7.566 4.010 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.897 -7.751 1.127 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.798 -6.077 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.614 -6.612 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.014 -7.283 4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.008 -8.341 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.561 -6.302 1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.948 -8.007 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.935 -6.715 0.134 1.00 0.00 H new ATOM 455 N SER A 32 -5.842 -9.964 0.810 1.00 0.00 N ATOM 456 CA SER A 32 -5.608 -11.370 0.481 1.00 0.00 C ATOM 457 C SER A 32 -4.135 -11.667 0.180 1.00 0.00 C ATOM 458 O SER A 32 -3.729 -12.825 0.218 1.00 0.00 O ATOM 459 CB SER A 32 -6.441 -11.714 -0.760 1.00 0.00 C ATOM 460 OG SER A 32 -7.797 -11.410 -0.541 1.00 0.00 O ATOM 0 H SER A 32 -5.829 -9.361 -0.013 1.00 0.00 H new ATOM 0 HA SER A 32 -5.893 -11.971 1.345 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.071 -11.156 -1.620 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.333 -12.773 -0.996 1.00 0.00 H new ATOM 0 HG SER A 32 -8.350 -11.894 -1.189 1.00 0.00 H new ATOM 466 N SER A 33 -3.334 -10.642 -0.136 1.00 0.00 N ATOM 467 CA SER A 33 -1.953 -10.703 -0.633 1.00 0.00 C ATOM 468 C SER A 33 -1.372 -9.306 -0.928 1.00 0.00 C ATOM 469 O SER A 33 -2.082 -8.303 -1.035 1.00 0.00 O ATOM 470 CB SER A 33 -1.878 -11.572 -1.898 1.00 0.00 C ATOM 471 OG SER A 33 -1.851 -12.948 -1.586 1.00 0.00 O ATOM 0 H SER A 33 -3.657 -9.679 -0.045 1.00 0.00 H new ATOM 0 HA SER A 33 -1.351 -11.150 0.158 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.736 -11.360 -2.536 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.986 -11.310 -2.467 1.00 0.00 H new ATOM 0 HG SER A 33 -2.367 -13.108 -0.768 1.00 0.00 H new ATOM 477 N ILE A 34 -0.058 -9.254 -1.125 1.00 0.00 N ATOM 478 CA ILE A 34 0.755 -8.041 -1.322 1.00 0.00 C ATOM 479 C ILE A 34 2.203 -8.363 -1.724 1.00 0.00 C ATOM 480 O ILE A 34 2.762 -9.376 -1.311 1.00 0.00 O ATOM 481 CB ILE A 34 0.734 -7.129 -0.060 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.413 -5.767 -0.334 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.396 -7.800 1.158 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.170 -4.724 0.754 1.00 0.00 C ATOM 0 H ILE A 34 0.508 -10.102 -1.154 1.00 0.00 H new ATOM 0 HA ILE A 34 0.298 -7.499 -2.150 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.317 -6.962 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.487 -5.922 -0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.051 -5.377 -1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.356 -7.124 2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.865 -8.721 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.436 -8.030 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.678 -3.797 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.100 -4.538 0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.558 -5.092 1.704 1.00 0.00 H new ATOM 496 N VAL A 35 2.786 -7.455 -2.505 1.00 0.00 N ATOM 497 CA VAL A 35 4.215 -7.338 -2.828 1.00 0.00 C ATOM 498 C VAL A 35 4.545 -5.853 -2.848 1.00 0.00 C ATOM 499 O VAL A 35 3.725 -5.055 -3.303 1.00 0.00 O ATOM 500 CB VAL A 35 4.546 -7.944 -4.215 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.923 -7.529 -4.773 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.547 -9.473 -4.109 1.00 0.00 C ATOM 0 H VAL A 35 2.237 -6.728 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 35 4.799 -7.883 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 35 3.781 -7.564 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.077 -7.996 -5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.960 -6.445 -4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.706 -7.853 -4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.779 -9.905 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.298 -9.787 -3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.564 -9.816 -3.785 1.00 0.00 H new ATOM 512 N VAL A 36 5.746 -5.487 -2.401 1.00 0.00 N ATOM 513 CA VAL A 36 6.262 -4.125 -2.595 1.00 0.00 C ATOM 514 C VAL A 36 7.467 -4.129 -3.533 1.00 0.00 C ATOM 515 O VAL A 36 8.452 -4.848 -3.367 1.00 0.00 O ATOM 516 CB VAL A 36 6.586 -3.408 -1.275 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.333 -2.088 -1.480 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.327 -3.015 -0.498 1.00 0.00 C ATOM 0 H VAL A 36 6.381 -6.110 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 36 5.460 -3.553 -3.061 1.00 0.00 H new ATOM 0 HB VAL A 36 7.193 -4.134 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.533 -1.629 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.276 -2.279 -1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.723 -1.414 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.612 -2.512 0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.720 -2.343 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.751 -3.910 -0.261 1.00 0.00 H new ATOM 528 N SER A 37 7.377 -3.242 -4.513 1.00 0.00 N ATOM 529 CA SER A 37 8.452 -2.859 -5.417 1.00 0.00 C ATOM 530 C SER A 37 9.354 -1.839 -4.709 1.00 0.00 C ATOM 531 O SER A 37 9.106 -0.634 -4.780 1.00 0.00 O ATOM 532 CB SER A 37 7.870 -2.261 -6.705 1.00 0.00 C ATOM 533 OG SER A 37 7.142 -3.240 -7.419 1.00 0.00 O ATOM 0 H SER A 37 6.508 -2.745 -4.709 1.00 0.00 H new ATOM 0 HA SER A 37 9.040 -3.737 -5.687 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.220 -1.421 -6.462 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.675 -1.871 -7.328 1.00 0.00 H new ATOM 0 HG SER A 37 6.776 -2.843 -8.237 1.00 0.00 H new ATOM 539 N LEU A 38 10.400 -2.330 -4.027 1.00 0.00 N ATOM 540 CA LEU A 38 11.368 -1.531 -3.269 1.00 0.00 C ATOM 541 C LEU A 38 11.931 -0.395 -4.118 1.00 0.00 C ATOM 542 O LEU A 38 11.818 0.775 -3.763 1.00 0.00 O ATOM 543 CB LEU A 38 12.458 -2.461 -2.717 1.00 0.00 C ATOM 544 CG LEU A 38 13.751 -1.775 -2.215 1.00 0.00 C ATOM 545 CD1 LEU A 38 13.571 -0.585 -1.264 1.00 0.00 C ATOM 546 CD2 LEU A 38 14.514 -2.822 -1.417 1.00 0.00 C ATOM 0 H LEU A 38 10.600 -3.329 -3.988 1.00 0.00 H new ATOM 0 HA LEU A 38 10.873 -1.051 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.033 -3.036 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.728 -3.173 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 38 14.242 -1.388 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.548 -0.192 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.995 0.195 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.041 -0.911 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.439 -2.388 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.902 -3.159 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.748 -3.670 -2.060 1.00 0.00 H new ATOM 558 N GLU A 39 12.514 -0.773 -5.254 1.00 0.00 N ATOM 559 CA GLU A 39 13.082 0.141 -6.230 1.00 0.00 C ATOM 560 C GLU A 39 12.078 1.241 -6.600 1.00 0.00 C ATOM 561 O GLU A 39 12.330 2.431 -6.412 1.00 0.00 O ATOM 562 CB GLU A 39 13.481 -0.691 -7.459 1.00 0.00 C ATOM 563 CG GLU A 39 14.249 0.107 -8.511 1.00 0.00 C ATOM 564 CD GLU A 39 14.241 -0.653 -9.834 1.00 0.00 C ATOM 565 OE1 GLU A 39 14.688 -1.819 -9.823 1.00 0.00 O ATOM 566 OE2 GLU A 39 13.698 -0.082 -10.804 1.00 0.00 O ATOM 0 H GLU A 39 12.604 -1.752 -5.524 1.00 0.00 H new ATOM 0 HA GLU A 39 13.956 0.646 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.093 -1.533 -7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.582 -1.107 -7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.794 1.089 -8.641 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.275 0.272 -8.180 1.00 0.00 H new ATOM 573 N ASN A 40 10.894 0.831 -7.059 1.00 0.00 N ATOM 574 CA ASN A 40 9.876 1.732 -7.585 1.00 0.00 C ATOM 575 C ASN A 40 8.956 2.311 -6.491 1.00 0.00 C ATOM 576 O ASN A 40 7.888 2.827 -6.813 1.00 0.00 O ATOM 577 CB ASN A 40 9.143 1.047 -8.751 1.00 0.00 C ATOM 578 CG ASN A 40 10.039 1.144 -9.975 1.00 0.00 C ATOM 579 OD1 ASN A 40 9.928 2.080 -10.751 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.008 0.257 -10.098 1.00 0.00 N ATOM 0 H ASN A 40 10.615 -0.150 -7.074 1.00 0.00 H new ATOM 0 HA ASN A 40 10.360 2.621 -7.988 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.932 0.005 -8.512 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.184 1.531 -8.938 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.686 0.344 -10.855 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.079 -0.516 -9.436 1.00 0.00 H new ATOM 587 N ARG A 41 9.329 2.220 -5.204 1.00 0.00 N ATOM 588 CA ARG A 41 8.637 2.814 -4.049 1.00 0.00 C ATOM 589 C ARG A 41 7.133 2.498 -3.967 1.00 0.00 C ATOM 590 O ARG A 41 6.351 3.317 -3.481 1.00 0.00 O ATOM 591 CB ARG A 41 8.864 4.332 -4.009 1.00 0.00 C ATOM 592 CG ARG A 41 10.323 4.794 -4.113 1.00 0.00 C ATOM 593 CD ARG A 41 10.643 5.361 -5.495 1.00 0.00 C ATOM 594 NE ARG A 41 11.776 6.300 -5.428 1.00 0.00 N ATOM 595 CZ ARG A 41 13.068 5.995 -5.383 1.00 0.00 C ATOM 596 NH1 ARG A 41 13.516 4.759 -5.469 1.00 0.00 N ATOM 597 NH2 ARG A 41 13.953 6.957 -5.241 1.00 0.00 N ATOM 0 H ARG A 41 10.164 1.704 -4.927 1.00 0.00 H new ATOM 0 HA ARG A 41 9.083 2.343 -3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.300 4.786 -4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.446 4.718 -3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.519 5.552 -3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.986 3.955 -3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.880 4.547 -6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.766 5.870 -5.896 1.00 0.00 H new ATOM 0 HE ARG A 41 11.543 7.293 -5.415 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.860 3.985 -5.575 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.519 4.576 -5.429 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.645 7.927 -5.167 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.948 6.734 -5.205 1.00 0.00 H new ATOM 611 N SER A 42 6.691 1.353 -4.474 1.00 0.00 N ATOM 612 CA SER A 42 5.256 1.092 -4.662 1.00 0.00 C ATOM 613 C SER A 42 4.793 -0.280 -4.170 1.00 0.00 C ATOM 614 O SER A 42 5.521 -1.260 -4.233 1.00 0.00 O ATOM 615 CB SER A 42 4.864 1.267 -6.142 1.00 0.00 C ATOM 616 OG SER A 42 5.900 0.907 -7.047 1.00 0.00 O ATOM 0 H SER A 42 7.299 0.587 -4.764 1.00 0.00 H new ATOM 0 HA SER A 42 4.747 1.829 -4.041 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.982 0.661 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.585 2.306 -6.316 1.00 0.00 H new ATOM 0 HG SER A 42 6.602 1.591 -7.029 1.00 0.00 H new ATOM 622 N ALA A 43 3.538 -0.356 -3.733 1.00 0.00 N ATOM 623 CA ALA A 43 2.887 -1.561 -3.239 1.00 0.00 C ATOM 624 C ALA A 43 1.849 -2.023 -4.260 1.00 0.00 C ATOM 625 O ALA A 43 0.969 -1.263 -4.654 1.00 0.00 O ATOM 626 CB ALA A 43 2.245 -1.243 -1.880 1.00 0.00 C ATOM 0 H ALA A 43 2.923 0.457 -3.714 1.00 0.00 H new ATOM 0 HA ALA A 43 3.605 -2.370 -3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.752 -2.135 -1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.016 -0.922 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.511 -0.446 -2.002 1.00 0.00 H new ATOM 632 N ILE A 44 1.946 -3.284 -4.663 1.00 0.00 N ATOM 633 CA ILE A 44 0.954 -3.997 -5.463 1.00 0.00 C ATOM 634 C ILE A 44 0.214 -4.847 -4.437 1.00 0.00 C ATOM 635 O ILE A 44 0.801 -5.754 -3.835 1.00 0.00 O ATOM 636 CB ILE A 44 1.647 -4.813 -6.573 1.00 0.00 C ATOM 637 CG1 ILE A 44 2.438 -3.866 -7.510 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.583 -5.607 -7.357 1.00 0.00 C ATOM 639 CD1 ILE A 44 3.381 -4.604 -8.466 1.00 0.00 C ATOM 0 H ILE A 44 2.753 -3.864 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 44 0.261 -3.352 -6.003 1.00 0.00 H new ATOM 0 HB ILE A 44 2.354 -5.516 -6.131 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.734 -3.272 -8.093 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.018 -3.169 -6.905 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.067 -6.186 -8.143 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.060 -6.282 -6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.131 -4.915 -7.803 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.903 -3.881 -9.093 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.108 -5.176 -7.890 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.804 -5.280 -9.096 1.00 0.00 H new ATOM 651 N VAL A 45 -1.038 -4.482 -4.175 1.00 0.00 N ATOM 652 CA VAL A 45 -1.832 -4.972 -3.047 1.00 0.00 C ATOM 653 C VAL A 45 -3.066 -5.664 -3.599 1.00 0.00 C ATOM 654 O VAL A 45 -3.737 -5.120 -4.476 1.00 0.00 O ATOM 655 CB VAL A 45 -2.266 -3.806 -2.134 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.850 -4.351 -0.822 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.120 -2.837 -1.797 1.00 0.00 C ATOM 0 H VAL A 45 -1.545 -3.817 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.231 -5.663 -2.456 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.017 -3.248 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.153 -3.520 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.717 -4.975 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.095 -4.946 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.494 -2.042 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.326 -3.378 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.727 -2.404 -2.717 1.00 0.00 H new ATOM 667 N VAL A 46 -3.355 -6.857 -3.086 1.00 0.00 N ATOM 668 CA VAL A 46 -4.352 -7.778 -3.631 1.00 0.00 C ATOM 669 C VAL A 46 -5.353 -8.036 -2.508 1.00 0.00 C ATOM 670 O VAL A 46 -5.012 -8.671 -1.517 1.00 0.00 O ATOM 671 CB VAL A 46 -3.629 -9.067 -4.078 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.574 -10.147 -4.608 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.514 -8.812 -5.113 1.00 0.00 C ATOM 0 H VAL A 46 -2.889 -7.222 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.876 -7.381 -4.500 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.171 -9.438 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.996 -11.023 -4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.282 -10.425 -3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.118 -9.763 -5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.046 -9.758 -5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.942 -8.350 -6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.764 -8.147 -4.684 1.00 0.00 H new ATOM 683 N TYR A 47 -6.567 -7.500 -2.620 1.00 0.00 N ATOM 684 CA TYR A 47 -7.551 -7.418 -1.531 1.00 0.00 C ATOM 685 C TYR A 47 -8.952 -7.915 -1.921 1.00 0.00 C ATOM 686 O TYR A 47 -9.479 -7.591 -2.980 1.00 0.00 O ATOM 687 CB TYR A 47 -7.614 -5.965 -1.026 1.00 0.00 C ATOM 688 CG TYR A 47 -8.259 -4.967 -1.979 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.611 -4.570 -3.168 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.532 -4.445 -1.680 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.238 -3.677 -4.060 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.166 -3.561 -2.573 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.524 -3.177 -3.767 1.00 0.00 C ATOM 694 OH TYR A 47 -10.162 -2.362 -4.650 1.00 0.00 O ATOM 0 H TYR A 47 -6.907 -7.098 -3.494 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.215 -8.088 -0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.164 -5.949 -0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.600 -5.630 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.627 -4.953 -3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.025 -4.724 -0.760 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.734 -3.376 -4.967 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.148 -3.176 -2.342 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.038 -2.111 -4.290 1.00 0.00 H new ATOM 704 N ASN A 48 -9.611 -8.671 -1.050 1.00 0.00 N ATOM 705 CA ASN A 48 -10.872 -9.347 -1.346 1.00 0.00 C ATOM 706 C ASN A 48 -12.093 -8.432 -1.130 1.00 0.00 C ATOM 707 O ASN A 48 -12.745 -8.472 -0.087 1.00 0.00 O ATOM 708 CB ASN A 48 -10.962 -10.691 -0.594 1.00 0.00 C ATOM 709 CG ASN A 48 -10.973 -11.826 -1.599 1.00 0.00 C ATOM 710 OD1 ASN A 48 -9.939 -12.376 -1.943 1.00 0.00 O ATOM 711 ND2 ASN A 48 -12.120 -12.128 -2.174 1.00 0.00 N ATOM 0 H ASN A 48 -9.279 -8.835 -0.100 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.888 -9.584 -2.410 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.116 -10.799 0.085 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.865 -10.720 0.015 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.150 -12.828 -2.915 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.977 -11.662 -1.878 1.00 0.00 H new ATOM 718 N ALA A 49 -12.409 -7.606 -2.137 1.00 0.00 N ATOM 719 CA ALA A 49 -13.516 -6.647 -2.086 1.00 0.00 C ATOM 720 C ALA A 49 -13.857 -6.053 -3.465 1.00 0.00 C ATOM 721 O ALA A 49 -13.180 -5.153 -3.957 1.00 0.00 O ATOM 722 CB ALA A 49 -13.129 -5.535 -1.108 1.00 0.00 C ATOM 0 H ALA A 49 -11.896 -7.586 -3.019 1.00 0.00 H new ATOM 0 HA ALA A 49 -14.413 -7.169 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.936 -4.805 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.955 -5.963 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.220 -5.044 -1.456 1.00 0.00 H new ATOM 728 N SER A 50 -14.961 -6.485 -4.073 1.00 0.00 N ATOM 729 CA SER A 50 -15.365 -6.058 -5.425 1.00 0.00 C ATOM 730 C SER A 50 -16.165 -4.747 -5.424 1.00 0.00 C ATOM 731 O SER A 50 -16.386 -4.150 -6.470 1.00 0.00 O ATOM 732 CB SER A 50 -16.236 -7.145 -6.082 1.00 0.00 C ATOM 733 OG SER A 50 -15.709 -8.447 -5.871 1.00 0.00 O ATOM 0 H SER A 50 -15.609 -7.146 -3.644 1.00 0.00 H new ATOM 0 HA SER A 50 -14.442 -5.897 -5.983 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.247 -7.093 -5.678 1.00 0.00 H new ATOM 0 HB3 SER A 50 -16.310 -6.953 -7.152 1.00 0.00 H new ATOM 0 HG SER A 50 -16.290 -9.109 -6.301 1.00 0.00 H new ATOM 739 N SER A 51 -16.623 -4.290 -4.258 1.00 0.00 N ATOM 740 CA SER A 51 -17.595 -3.201 -4.135 1.00 0.00 C ATOM 741 C SER A 51 -17.079 -1.995 -3.326 1.00 0.00 C ATOM 742 O SER A 51 -17.860 -1.366 -2.616 1.00 0.00 O ATOM 743 CB SER A 51 -18.880 -3.781 -3.521 1.00 0.00 C ATOM 744 OG SER A 51 -18.638 -4.224 -2.195 1.00 0.00 O ATOM 0 H SER A 51 -16.326 -4.671 -3.360 1.00 0.00 H new ATOM 0 HA SER A 51 -17.788 -2.801 -5.130 1.00 0.00 H new ATOM 0 HB2 SER A 51 -19.664 -3.024 -3.521 1.00 0.00 H new ATOM 0 HB3 SER A 51 -19.238 -4.612 -4.129 1.00 0.00 H new ATOM 0 HG SER A 51 -19.465 -4.589 -1.816 1.00 0.00 H new ATOM 750 N VAL A 52 -15.774 -1.697 -3.359 1.00 0.00 N ATOM 751 CA VAL A 52 -15.159 -0.619 -2.552 1.00 0.00 C ATOM 752 C VAL A 52 -14.060 0.119 -3.320 1.00 0.00 C ATOM 753 O VAL A 52 -13.502 -0.409 -4.284 1.00 0.00 O ATOM 754 CB VAL A 52 -14.598 -1.115 -1.193 1.00 0.00 C ATOM 755 CG1 VAL A 52 -15.635 -1.867 -0.343 1.00 0.00 C ATOM 756 CG2 VAL A 52 -13.348 -1.990 -1.375 1.00 0.00 C ATOM 0 H VAL A 52 -15.106 -2.196 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.973 0.074 -2.342 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.325 -0.209 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -15.176 -2.186 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -16.477 -1.208 -0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -15.989 -2.741 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.987 -2.316 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.599 -2.862 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -12.570 -1.413 -1.875 1.00 0.00 H new ATOM 766 N THR A 53 -13.736 1.332 -2.861 1.00 0.00 N ATOM 767 CA THR A 53 -12.685 2.182 -3.428 1.00 0.00 C ATOM 768 C THR A 53 -11.281 1.668 -3.067 1.00 0.00 C ATOM 769 O THR A 53 -11.075 1.199 -1.940 1.00 0.00 O ATOM 770 CB THR A 53 -12.905 3.646 -3.017 1.00 0.00 C ATOM 771 OG1 THR A 53 -11.890 4.459 -3.557 1.00 0.00 O ATOM 772 CG2 THR A 53 -12.923 3.862 -1.505 1.00 0.00 C ATOM 0 H THR A 53 -14.209 1.760 -2.065 1.00 0.00 H new ATOM 0 HA THR A 53 -12.749 2.135 -4.515 1.00 0.00 H new ATOM 0 HB THR A 53 -13.886 3.916 -3.407 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.040 5.390 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.083 4.919 -1.290 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.729 3.276 -1.063 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.970 3.545 -1.081 1.00 0.00 H new ATOM 780 N PRO A 54 -10.288 1.787 -3.976 1.00 0.00 N ATOM 781 CA PRO A 54 -8.876 1.560 -3.662 1.00 0.00 C ATOM 782 C PRO A 54 -8.337 2.595 -2.663 1.00 0.00 C ATOM 783 O PRO A 54 -7.310 2.336 -2.037 1.00 0.00 O ATOM 784 CB PRO A 54 -8.145 1.635 -5.006 1.00 0.00 C ATOM 785 CG PRO A 54 -9.031 2.552 -5.842 1.00 0.00 C ATOM 786 CD PRO A 54 -10.430 2.170 -5.377 1.00 0.00 C ATOM 0 HA PRO A 54 -8.726 0.595 -3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.140 2.041 -4.894 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.042 0.651 -5.463 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.815 3.604 -5.657 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.898 2.382 -6.910 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.121 3.006 -5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.829 1.347 -5.970 1.00 0.00 H new ATOM 794 N GLU A 55 -9.031 3.726 -2.454 1.00 0.00 N ATOM 795 CA GLU A 55 -8.629 4.770 -1.502 1.00 0.00 C ATOM 796 C GLU A 55 -8.469 4.219 -0.067 1.00 0.00 C ATOM 797 O GLU A 55 -7.748 4.813 0.727 1.00 0.00 O ATOM 798 CB GLU A 55 -9.653 5.921 -1.578 1.00 0.00 C ATOM 799 CG GLU A 55 -9.366 7.191 -0.756 1.00 0.00 C ATOM 800 CD GLU A 55 -8.138 8.000 -1.186 1.00 0.00 C ATOM 801 OE1 GLU A 55 -7.670 7.893 -2.339 1.00 0.00 O ATOM 802 OE2 GLU A 55 -7.629 8.786 -0.359 1.00 0.00 O ATOM 0 H GLU A 55 -9.897 3.942 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.644 5.149 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.751 6.214 -2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.621 5.530 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.241 7.839 -0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.242 6.905 0.288 1.00 0.00 H new ATOM 809 N SER A 56 -9.063 3.070 0.282 1.00 0.00 N ATOM 810 CA SER A 56 -8.966 2.479 1.615 1.00 0.00 C ATOM 811 C SER A 56 -7.578 1.888 1.885 1.00 0.00 C ATOM 812 O SER A 56 -7.024 2.054 2.972 1.00 0.00 O ATOM 813 CB SER A 56 -10.005 1.357 1.753 1.00 0.00 C ATOM 814 OG SER A 56 -11.177 1.560 0.967 1.00 0.00 O ATOM 0 H SER A 56 -9.630 2.521 -0.364 1.00 0.00 H new ATOM 0 HA SER A 56 -9.148 3.275 2.337 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.545 0.411 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.292 1.267 2.801 1.00 0.00 H new ATOM 0 HG SER A 56 -11.015 1.249 0.052 1.00 0.00 H new ATOM 820 N LEU A 57 -7.000 1.194 0.893 1.00 0.00 N ATOM 821 CA LEU A 57 -5.646 0.658 1.010 1.00 0.00 C ATOM 822 C LEU A 57 -4.635 1.804 0.991 1.00 0.00 C ATOM 823 O LEU A 57 -3.743 1.820 1.832 1.00 0.00 O ATOM 824 CB LEU A 57 -5.349 -0.337 -0.117 1.00 0.00 C ATOM 825 CG LEU A 57 -6.202 -1.620 -0.188 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.707 -2.408 -1.409 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.090 -2.526 1.053 1.00 0.00 C ATOM 0 H LEU A 57 -7.454 0.994 0.002 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.564 0.124 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.457 0.189 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.304 -0.634 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.249 -1.322 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.281 -3.330 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.836 -1.805 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.652 -2.650 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.721 -3.405 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.054 -2.839 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.416 -1.976 1.936 1.00 0.00 H new ATOM 839 N ARG A 58 -4.823 2.804 0.117 1.00 0.00 N ATOM 840 CA ARG A 58 -4.051 4.041 0.101 1.00 0.00 C ATOM 841 C ARG A 58 -4.025 4.688 1.491 1.00 0.00 C ATOM 842 O ARG A 58 -2.952 4.996 2.004 1.00 0.00 O ATOM 843 CB ARG A 58 -4.691 4.980 -0.924 1.00 0.00 C ATOM 844 CG ARG A 58 -3.885 6.268 -1.100 1.00 0.00 C ATOM 845 CD ARG A 58 -4.818 7.455 -1.285 1.00 0.00 C ATOM 846 NE ARG A 58 -4.119 8.734 -1.139 1.00 0.00 N ATOM 847 CZ ARG A 58 -4.577 9.904 -1.539 1.00 0.00 C ATOM 848 NH1 ARG A 58 -5.727 10.029 -2.169 1.00 0.00 N ATOM 849 NH2 ARG A 58 -3.855 10.964 -1.258 1.00 0.00 N ATOM 0 H ARG A 58 -5.535 2.767 -0.613 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.017 3.833 -0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.772 4.469 -1.883 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.704 5.226 -0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.249 6.429 -0.229 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.226 6.177 -1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.277 7.404 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.625 7.398 -0.555 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.203 8.718 -0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.295 9.204 -2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.050 10.951 -2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.977 10.863 -0.749 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.172 11.889 -1.549 1.00 0.00 H new ATOM 863 N LYS A 59 -5.180 4.854 2.141 1.00 0.00 N ATOM 864 CA LYS A 59 -5.264 5.334 3.520 1.00 0.00 C ATOM 865 C LYS A 59 -4.578 4.433 4.548 1.00 0.00 C ATOM 866 O LYS A 59 -3.960 4.977 5.458 1.00 0.00 O ATOM 867 CB LYS A 59 -6.737 5.581 3.875 1.00 0.00 C ATOM 868 CG LYS A 59 -7.065 7.076 3.878 1.00 0.00 C ATOM 869 CD LYS A 59 -6.716 7.805 2.574 1.00 0.00 C ATOM 870 CE LYS A 59 -6.894 9.314 2.753 1.00 0.00 C ATOM 871 NZ LYS A 59 -6.281 10.031 1.617 1.00 0.00 N ATOM 0 H LYS A 59 -6.088 4.657 1.721 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.704 6.268 3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.377 5.067 3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.953 5.157 4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.129 7.201 4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.530 7.551 4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.688 7.583 2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.355 7.449 1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.954 9.559 2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.434 9.635 3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.330 11.056 1.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.286 9.743 1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.794 9.799 0.743 1.00 0.00 H new ATOM 885 N ALA A 60 -4.575 3.108 4.386 1.00 0.00 N ATOM 886 CA ALA A 60 -3.740 2.258 5.235 1.00 0.00 C ATOM 887 C ALA A 60 -2.231 2.537 5.036 1.00 0.00 C ATOM 888 O ALA A 60 -1.473 2.505 6.002 1.00 0.00 O ATOM 889 CB ALA A 60 -4.129 0.802 4.996 1.00 0.00 C ATOM 0 H ALA A 60 -5.129 2.609 3.690 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.921 2.492 6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.515 0.154 5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.180 0.660 5.248 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.970 0.550 3.947 1.00 0.00 H new ATOM 895 N ILE A 61 -1.796 2.898 3.820 1.00 0.00 N ATOM 896 CA ILE A 61 -0.414 3.341 3.545 1.00 0.00 C ATOM 897 C ILE A 61 -0.147 4.722 4.160 1.00 0.00 C ATOM 898 O ILE A 61 0.764 4.855 4.973 1.00 0.00 O ATOM 899 CB ILE A 61 -0.074 3.318 2.031 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.349 1.942 1.419 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.406 3.665 1.814 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.056 1.822 -0.081 1.00 0.00 C ATOM 0 H ILE A 61 -2.393 2.892 2.993 1.00 0.00 H new ATOM 0 HA ILE A 61 0.252 2.623 4.023 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.709 4.057 1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.248 1.201 1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.396 1.689 1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.632 3.645 0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.608 4.660 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.030 2.936 2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.283 0.810 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.673 2.533 -0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.997 2.037 -0.264 1.00 0.00 H new ATOM 914 N GLU A 62 -0.949 5.743 3.846 1.00 0.00 N ATOM 915 CA GLU A 62 -0.800 7.084 4.418 1.00 0.00 C ATOM 916 C GLU A 62 -0.904 7.074 5.955 1.00 0.00 C ATOM 917 O GLU A 62 -0.419 8.003 6.586 1.00 0.00 O ATOM 918 CB GLU A 62 -1.806 8.071 3.790 1.00 0.00 C ATOM 919 CG GLU A 62 -1.521 8.311 2.299 1.00 0.00 C ATOM 920 CD GLU A 62 -2.439 9.280 1.542 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.649 9.356 1.841 1.00 0.00 O ATOM 922 OE2 GLU A 62 -1.986 9.856 0.520 1.00 0.00 O ATOM 0 H GLU A 62 -1.722 5.663 3.186 1.00 0.00 H new ATOM 0 HA GLU A 62 0.205 7.429 4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.817 7.682 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.765 9.020 4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.499 8.678 2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.560 7.347 1.791 1.00 0.00 H new ATOM 929 N ALA A 63 -1.436 6.011 6.574 1.00 0.00 N ATOM 930 CA ALA A 63 -1.466 5.812 8.024 1.00 0.00 C ATOM 931 C ALA A 63 -0.259 5.069 8.623 1.00 0.00 C ATOM 932 O ALA A 63 -0.197 4.943 9.843 1.00 0.00 O ATOM 933 CB ALA A 63 -2.787 5.122 8.389 1.00 0.00 C ATOM 0 H ALA A 63 -1.870 5.244 6.061 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.396 6.802 8.475 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.829 4.964 9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.623 5.750 8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.848 4.161 7.879 1.00 0.00 H new ATOM 939 N VAL A 64 0.713 4.648 7.809 1.00 0.00 N ATOM 940 CA VAL A 64 1.960 4.019 8.287 1.00 0.00 C ATOM 941 C VAL A 64 3.068 5.046 8.500 1.00 0.00 C ATOM 942 O VAL A 64 3.899 4.887 9.388 1.00 0.00 O ATOM 943 CB VAL A 64 2.445 2.858 7.387 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.401 3.211 6.262 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.186 1.827 8.246 1.00 0.00 C ATOM 0 H VAL A 64 0.662 4.732 6.794 1.00 0.00 H new ATOM 0 HA VAL A 64 1.714 3.579 9.253 1.00 0.00 H new ATOM 0 HB VAL A 64 1.525 2.501 6.925 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.662 2.308 5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.924 3.923 5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.305 3.655 6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.529 1.007 7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.043 2.301 8.724 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.513 1.439 9.010 1.00 0.00 H new ATOM 955 N SER A 65 3.090 6.129 7.715 1.00 0.00 N ATOM 956 CA SER A 65 3.982 7.260 7.990 1.00 0.00 C ATOM 957 C SER A 65 3.366 8.635 7.646 1.00 0.00 C ATOM 958 O SER A 65 3.912 9.371 6.818 1.00 0.00 O ATOM 959 CB SER A 65 5.367 7.024 7.381 1.00 0.00 C ATOM 960 OG SER A 65 5.757 5.664 7.285 1.00 0.00 O ATOM 0 H SER A 65 2.504 6.246 6.889 1.00 0.00 H new ATOM 0 HA SER A 65 4.119 7.308 9.070 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.388 7.463 6.384 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.106 7.557 7.980 1.00 0.00 H new ATOM 0 HG SER A 65 5.908 5.432 6.345 1.00 0.00 H new ATOM 966 N PRO A 66 2.223 8.983 8.277 1.00 0.00 N ATOM 967 CA PRO A 66 1.396 10.139 7.941 1.00 0.00 C ATOM 968 C PRO A 66 2.138 11.471 7.962 1.00 0.00 C ATOM 969 O PRO A 66 2.962 11.730 8.838 1.00 0.00 O ATOM 970 CB PRO A 66 0.207 10.137 8.916 1.00 0.00 C ATOM 971 CG PRO A 66 0.572 9.100 9.978 1.00 0.00 C ATOM 972 CD PRO A 66 1.500 8.155 9.226 1.00 0.00 C ATOM 0 HA PRO A 66 1.067 10.044 6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.058 11.121 9.360 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.720 9.873 8.408 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.068 9.556 10.835 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.309 8.583 10.358 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.185 7.654 9.909 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.934 7.376 8.714 1.00 0.00 H new ATOM 980 N GLY A 67 1.825 12.315 6.972 1.00 0.00 N ATOM 981 CA GLY A 67 2.455 13.624 6.749 1.00 0.00 C ATOM 982 C GLY A 67 3.796 13.541 6.014 1.00 0.00 C ATOM 983 O GLY A 67 4.176 14.497 5.340 1.00 0.00 O ATOM 0 H GLY A 67 1.105 12.101 6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.774 14.253 6.175 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.607 14.113 7.711 1.00 0.00 H new ATOM 987 N LEU A 68 4.492 12.406 6.119 1.00 0.00 N ATOM 988 CA LEU A 68 5.735 12.091 5.416 1.00 0.00 C ATOM 989 C LEU A 68 5.407 11.320 4.128 1.00 0.00 C ATOM 990 O LEU A 68 5.934 11.638 3.066 1.00 0.00 O ATOM 991 CB LEU A 68 6.668 11.419 6.438 1.00 0.00 C ATOM 992 CG LEU A 68 7.316 10.072 6.091 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.439 10.130 5.057 1.00 0.00 C ATOM 994 CD2 LEU A 68 7.913 9.569 7.396 1.00 0.00 C ATOM 0 H LEU A 68 4.188 11.646 6.727 1.00 0.00 H new ATOM 0 HA LEU A 68 6.283 12.958 5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.471 12.122 6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.101 11.282 7.359 1.00 0.00 H new ATOM 0 HG LEU A 68 6.549 9.436 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.827 9.126 4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.052 10.535 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.240 10.771 5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.396 8.606 7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.649 10.286 7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.122 9.454 8.137 1.00 0.00 H new ATOM 1006 N TYR A 69 4.472 10.371 4.206 1.00 0.00 N ATOM 1007 CA TYR A 69 3.968 9.602 3.072 1.00 0.00 C ATOM 1008 C TYR A 69 2.986 10.345 2.168 1.00 0.00 C ATOM 1009 O TYR A 69 1.803 10.517 2.478 1.00 0.00 O ATOM 1010 CB TYR A 69 3.277 8.309 3.537 1.00 0.00 C ATOM 1011 CG TYR A 69 4.178 7.110 3.749 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.569 7.215 3.961 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.601 5.836 3.664 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.336 6.062 4.201 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.378 4.681 3.758 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.742 4.785 4.094 1.00 0.00 C ATOM 1017 OH TYR A 69 6.458 3.661 4.364 1.00 0.00 O ATOM 0 H TYR A 69 4.033 10.110 5.089 1.00 0.00 H new ATOM 0 HA TYR A 69 4.864 9.395 2.487 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.756 8.516 4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.518 8.042 2.801 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.046 8.184 3.939 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.534 5.746 3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.379 6.152 4.467 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.936 3.713 3.574 1.00 0.00 H new ATOM 0 HH TYR A 69 5.955 3.094 4.985 1.00 0.00 H new ATOM 1027 N ARG A 70 3.476 10.708 0.990 1.00 0.00 N ATOM 1028 CA ARG A 70 2.615 10.996 -0.153 1.00 0.00 C ATOM 1029 C ARG A 70 2.111 9.632 -0.617 1.00 0.00 C ATOM 1030 O ARG A 70 2.960 8.762 -0.747 1.00 0.00 O ATOM 1031 CB ARG A 70 3.467 11.477 -1.318 1.00 0.00 C ATOM 1032 CG ARG A 70 3.957 12.914 -1.213 1.00 0.00 C ATOM 1033 CD ARG A 70 4.206 13.461 -2.621 1.00 0.00 C ATOM 1034 NE ARG A 70 5.549 14.033 -2.754 1.00 0.00 N ATOM 1035 CZ ARG A 70 6.021 15.183 -2.315 1.00 0.00 C ATOM 1036 NH1 ARG A 70 5.252 16.142 -1.836 1.00 0.00 N ATOM 1037 NH2 ARG A 70 7.322 15.339 -2.361 1.00 0.00 N ATOM 0 H ARG A 70 4.473 10.811 0.799 1.00 0.00 H new ATOM 0 HA ARG A 70 1.847 11.722 0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.332 10.821 -1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.890 11.373 -2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.218 13.527 -0.697 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.874 12.957 -0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.078 12.660 -3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.462 14.223 -2.851 1.00 0.00 H new ATOM 0 HE ARG A 70 6.218 13.455 -3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.241 16.012 -1.793 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.668 17.014 -1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.913 14.591 -2.723 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.743 16.209 -2.035 1.00 0.00 H new ATOM 1051 N VAL A 71 0.845 9.422 -0.968 1.00 0.00 N ATOM 1052 CA VAL A 71 0.452 8.175 -1.664 1.00 0.00 C ATOM 1053 C VAL A 71 -0.442 8.495 -2.859 1.00 0.00 C ATOM 1054 O VAL A 71 -1.366 9.299 -2.761 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.194 7.122 -0.745 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.414 5.782 -1.472 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.709 6.815 0.461 1.00 0.00 C ATOM 0 H VAL A 71 0.081 10.075 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 71 1.375 7.716 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.147 7.548 -0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.872 5.068 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.071 5.936 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.544 5.393 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.229 6.068 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.667 6.432 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.872 7.727 1.035 1.00 0.00 H new ATOM 1067 N SER A 72 -0.170 7.860 -3.999 1.00 0.00 N ATOM 1068 CA SER A 72 -1.034 7.946 -5.188 1.00 0.00 C ATOM 1069 C SER A 72 -1.225 6.604 -5.913 1.00 0.00 C ATOM 1070 O SER A 72 -0.370 5.721 -5.867 1.00 0.00 O ATOM 1071 CB SER A 72 -0.534 9.040 -6.142 1.00 0.00 C ATOM 1072 OG SER A 72 0.822 8.872 -6.507 1.00 0.00 O ATOM 0 H SER A 72 0.653 7.271 -4.130 1.00 0.00 H new ATOM 0 HA SER A 72 -2.026 8.221 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.150 9.041 -7.041 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.660 10.014 -5.669 1.00 0.00 H new ATOM 0 HG SER A 72 1.089 9.593 -7.115 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.369 6.436 -6.589 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.710 5.230 -7.365 1.00 0.00 C ATOM 1080 C ILE A 73 -2.083 5.356 -8.752 1.00 0.00 C ATOM 1081 O ILE A 73 -2.712 5.823 -9.705 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.246 5.015 -7.407 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.830 4.897 -5.979 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.613 3.752 -8.219 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.354 5.033 -5.918 1.00 0.00 C ATOM 0 H ILE A 73 -3.100 7.147 -6.614 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.303 4.339 -6.887 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.679 5.887 -7.897 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.544 3.933 -5.559 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.381 5.665 -5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.696 3.628 -8.230 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.249 3.858 -9.241 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.153 2.877 -7.759 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.687 4.939 -4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.648 6.008 -6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.814 4.249 -6.520 1.00 0.00 H new ATOM 1097 N THR A 74 -0.815 4.941 -8.847 1.00 0.00 N ATOM 1098 CA THR A 74 -0.138 4.778 -10.131 1.00 0.00 C ATOM 1099 C THR A 74 -0.908 3.752 -10.950 1.00 0.00 C ATOM 1100 O THR A 74 -1.118 2.610 -10.547 1.00 0.00 O ATOM 1101 CB THR A 74 1.354 4.461 -9.984 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.880 4.223 -11.267 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.671 3.240 -9.119 1.00 0.00 C ATOM 0 H THR A 74 -0.235 4.711 -8.040 1.00 0.00 H new ATOM 0 HA THR A 74 -0.143 5.726 -10.669 1.00 0.00 H new ATOM 0 HB THR A 74 1.798 5.321 -9.484 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.836 4.019 -11.196 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.751 3.096 -9.074 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.284 3.397 -8.112 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.205 2.356 -9.553 1.00 0.00 H new ATOM 1111 N SER A 75 -1.392 4.223 -12.087 1.00 0.00 N ATOM 1112 CA SER A 75 -2.247 3.504 -13.012 1.00 0.00 C ATOM 1113 C SER A 75 -1.960 4.010 -14.424 1.00 0.00 C ATOM 1114 O SER A 75 -1.694 5.191 -14.612 1.00 0.00 O ATOM 1115 CB SER A 75 -3.723 3.723 -12.645 1.00 0.00 C ATOM 1116 OG SER A 75 -4.013 5.001 -12.091 1.00 0.00 O ATOM 0 H SER A 75 -1.186 5.170 -12.405 1.00 0.00 H new ATOM 0 HA SER A 75 -2.045 2.434 -12.959 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.331 3.583 -13.539 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.024 2.956 -11.932 1.00 0.00 H new ATOM 0 HG SER A 75 -3.562 5.093 -11.226 1.00 0.00 H new ATOM 1122 N GLU A 76 -2.002 3.125 -15.418 1.00 0.00 N ATOM 1123 CA GLU A 76 -1.663 3.438 -16.808 1.00 0.00 C ATOM 1124 C GLU A 76 -2.827 4.175 -17.486 1.00 0.00 C ATOM 1125 O GLU A 76 -3.544 3.623 -18.316 1.00 0.00 O ATOM 1126 CB GLU A 76 -1.243 2.128 -17.484 1.00 0.00 C ATOM 1127 CG GLU A 76 -0.459 2.296 -18.787 1.00 0.00 C ATOM 1128 CD GLU A 76 0.093 0.941 -19.232 1.00 0.00 C ATOM 1129 OE1 GLU A 76 0.962 0.408 -18.503 1.00 0.00 O ATOM 1130 OE2 GLU A 76 -0.375 0.432 -20.273 1.00 0.00 O ATOM 0 H GLU A 76 -2.277 2.153 -15.279 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.823 4.129 -16.886 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.636 1.553 -16.784 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.137 1.539 -17.689 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.105 2.709 -19.561 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.358 3.003 -18.643 1.00 0.00 H new ATOM 1137 N VAL A 77 -3.064 5.406 -17.034 1.00 0.00 N ATOM 1138 CA VAL A 77 -4.196 6.249 -17.481 1.00 0.00 C ATOM 1139 C VAL A 77 -3.862 7.158 -18.675 1.00 0.00 C ATOM 1140 O VAL A 77 -4.739 7.434 -19.495 1.00 0.00 O ATOM 1141 CB VAL A 77 -4.798 7.084 -16.326 1.00 0.00 C ATOM 1142 CG1 VAL A 77 -5.418 6.161 -15.265 1.00 0.00 C ATOM 1143 CG2 VAL A 77 -3.815 8.044 -15.635 1.00 0.00 C ATOM 0 H VAL A 77 -2.473 5.861 -16.338 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.947 5.538 -17.825 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.554 7.709 -16.802 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.837 6.763 -14.459 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.208 5.563 -15.720 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.649 5.501 -14.863 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.331 8.583 -14.841 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.989 7.475 -15.210 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.428 8.755 -16.364 1.00 0.00 H new TER 1153 VAL A 77