USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.82) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= 0.988 (180deg=0.888) USER MOD Single : A 22 ASN : amide:sc= -1.04 K(o=-1,f=-11!) USER MOD Single : A 23 TYR OH : rot 15:sc= -0.226 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0627 K(o=-0.063,f=-2.3) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0.979 (180deg=0.948) USER MOD Single : A 49 SER OG : rot -79:sc= 0.0641 USER MOD Single : A 56 SER OG : rot 6:sc= 1.13 USER MOD Single : A 57 ASN : amide:sc= 0.0668 K(o=0.067,f=-2.4!) USER MOD Single : A 64 SER OG : rot 130:sc= 0.0294 USER MOD Single : A 66 SER OG : rot 18:sc= 0.601 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.86! C(o=-1.9!,f=-3.7!) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.331 K(o=0.33,f=-0.91) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 134:sc= 1.92 USER MOD Single : A 91 SER OG : rot 29:sc= 1.96 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0574) USER MOD Single : A 98 THR OG1 : rot 96:sc= 0.611 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0551 USER MOD Single : A 101 HIS : no HE2:sc= -0.0727 K(o=-0.073,f=-1.9) USER MOD Single : A 102 TYR OH : rot -164:sc= -0.272 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0584 USER MOD Single : A 106 THR OG1 : rot -23:sc= 0.31 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.435 -1.936 11.773 1.00 0.00 N ATOM 2 CA ALA A 1 12.479 -1.613 12.819 1.00 0.00 C ATOM 3 C ALA A 1 11.467 -0.599 12.283 1.00 0.00 C ATOM 4 O ALA A 1 11.543 0.587 12.600 1.00 0.00 O ATOM 5 CB ALA A 1 13.225 -1.097 14.051 1.00 0.00 C ATOM 0 H1 ALA A 1 14.125 -2.625 12.134 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.933 -2.343 10.958 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.932 -1.071 11.478 1.00 0.00 H new ATOM 0 HA ALA A 1 11.926 -2.502 13.122 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.508 -0.855 14.835 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.910 -1.865 14.410 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.789 -0.203 13.787 1.00 0.00 H new ATOM 11 N VAL A 2 10.541 -1.103 11.479 1.00 0.00 N ATOM 12 CA VAL A 2 9.533 -0.251 10.871 1.00 0.00 C ATOM 13 C VAL A 2 8.170 -0.940 10.958 1.00 0.00 C ATOM 14 O VAL A 2 8.094 -2.149 11.171 1.00 0.00 O ATOM 15 CB VAL A 2 9.938 0.096 9.437 1.00 0.00 C ATOM 16 CG1 VAL A 2 11.212 0.943 9.417 1.00 0.00 C ATOM 17 CG2 VAL A 2 10.107 -1.169 8.594 1.00 0.00 C ATOM 0 H VAL A 2 10.468 -2.091 11.235 1.00 0.00 H new ATOM 0 HA VAL A 2 9.454 0.693 11.410 1.00 0.00 H new ATOM 0 HB VAL A 2 9.136 0.688 8.996 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.478 1.176 8.386 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.042 1.869 9.966 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.025 0.388 9.885 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.395 -0.894 7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.881 -1.798 9.033 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.165 -1.717 8.568 1.00 0.00 H new ATOM 27 N ILE A 3 7.127 -0.140 10.788 1.00 0.00 N ATOM 28 CA ILE A 3 5.770 -0.655 10.858 1.00 0.00 C ATOM 29 C ILE A 3 5.327 -1.106 9.464 1.00 0.00 C ATOM 30 O ILE A 3 5.409 -0.340 8.505 1.00 0.00 O ATOM 31 CB ILE A 3 4.838 0.377 11.495 1.00 0.00 C ATOM 32 CG1 ILE A 3 5.255 0.676 12.937 1.00 0.00 C ATOM 33 CG2 ILE A 3 3.378 -0.071 11.402 1.00 0.00 C ATOM 34 CD1 ILE A 3 4.775 2.063 13.370 1.00 0.00 C ATOM 0 H ILE A 3 7.195 0.861 10.602 1.00 0.00 H new ATOM 0 HA ILE A 3 5.728 -1.531 11.505 1.00 0.00 H new ATOM 0 HB ILE A 3 4.925 1.308 10.935 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.841 -0.081 13.603 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.340 0.619 13.025 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.737 0.681 11.862 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.101 -0.193 10.355 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.255 -1.021 11.922 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.084 2.250 14.398 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.210 2.819 12.717 1.00 0.00 H new ATOM 0 HD13 ILE A 3 3.688 2.109 13.304 1.00 0.00 H new ATOM 46 N ASN A 4 4.868 -2.347 9.397 1.00 0.00 N ATOM 47 CA ASN A 4 4.656 -2.998 8.115 1.00 0.00 C ATOM 48 C ASN A 4 3.675 -4.158 8.294 1.00 0.00 C ATOM 49 O ASN A 4 3.849 -5.220 7.696 1.00 0.00 O ATOM 50 CB ASN A 4 5.965 -3.566 7.563 1.00 0.00 C ATOM 51 CG ASN A 4 6.488 -4.699 8.448 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.411 -5.870 8.113 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.023 -4.287 9.594 1.00 0.00 N ATOM 0 H ASN A 4 4.637 -2.919 10.209 1.00 0.00 H new ATOM 0 HA ASN A 4 4.264 -2.256 7.420 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.807 -3.935 6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.712 -2.774 7.501 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.401 -4.967 10.254 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.056 -3.291 9.813 1.00 0.00 H new ATOM 60 N THR A 5 2.667 -3.917 9.118 1.00 0.00 N ATOM 61 CA THR A 5 1.558 -4.849 9.236 1.00 0.00 C ATOM 62 C THR A 5 0.252 -4.182 8.798 1.00 0.00 C ATOM 63 O THR A 5 0.200 -2.966 8.624 1.00 0.00 O ATOM 64 CB THR A 5 1.523 -5.362 10.677 1.00 0.00 C ATOM 65 OG1 THR A 5 1.432 -4.179 11.466 1.00 0.00 O ATOM 66 CG2 THR A 5 2.850 -5.993 11.106 1.00 0.00 C ATOM 0 H THR A 5 2.594 -3.090 9.711 1.00 0.00 H new ATOM 0 HA THR A 5 1.689 -5.705 8.573 1.00 0.00 H new ATOM 0 HB THR A 5 0.721 -6.093 10.782 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.402 -4.420 12.415 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.771 -6.341 12.136 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.079 -6.837 10.455 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.646 -5.252 11.033 1.00 0.00 H new ATOM 74 N PHE A 6 -0.770 -5.009 8.631 1.00 0.00 N ATOM 75 CA PHE A 6 -2.059 -4.521 8.171 1.00 0.00 C ATOM 76 C PHE A 6 -2.673 -3.553 9.184 1.00 0.00 C ATOM 77 O PHE A 6 -3.120 -2.468 8.819 1.00 0.00 O ATOM 78 CB PHE A 6 -2.973 -5.740 8.029 1.00 0.00 C ATOM 79 CG PHE A 6 -2.593 -6.673 6.877 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.723 -6.252 5.590 1.00 0.00 C ATOM 81 CD2 PHE A 6 -2.124 -7.922 7.140 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.370 -7.118 4.521 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.771 -8.788 6.072 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.902 -8.367 4.785 1.00 0.00 C ATOM 0 H PHE A 6 -0.731 -6.013 8.806 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.940 -3.989 7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.955 -6.305 8.961 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.998 -5.398 7.883 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.094 -5.260 5.381 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.020 -8.255 8.162 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.473 -6.785 3.499 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.399 -9.780 6.281 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.634 -9.026 3.972 1.00 0.00 H new ATOM 94 N ASP A 7 -2.673 -3.982 10.438 1.00 0.00 N ATOM 95 CA ASP A 7 -3.256 -3.182 11.502 1.00 0.00 C ATOM 96 C ASP A 7 -2.326 -2.009 11.820 1.00 0.00 C ATOM 97 O ASP A 7 -2.789 -0.915 12.139 1.00 0.00 O ATOM 98 CB ASP A 7 -3.431 -4.007 12.778 1.00 0.00 C ATOM 99 CG ASP A 7 -4.280 -5.270 12.621 1.00 0.00 C ATOM 100 OD1 ASP A 7 -3.747 -6.244 12.046 1.00 0.00 O ATOM 101 OD2 ASP A 7 -5.443 -5.233 13.079 1.00 0.00 O ATOM 0 H ASP A 7 -2.279 -4.873 10.741 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.231 -2.830 11.164 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.446 -4.293 13.145 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.885 -3.375 13.542 1.00 0.00 H new ATOM 106 N GLY A 8 -1.033 -2.278 11.723 1.00 0.00 N ATOM 107 CA GLY A 8 -0.034 -1.308 12.137 1.00 0.00 C ATOM 108 C GLY A 8 -0.037 -0.089 11.213 1.00 0.00 C ATOM 109 O GLY A 8 -0.134 1.046 11.677 1.00 0.00 O ATOM 0 H GLY A 8 -0.654 -3.154 11.364 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.231 -0.993 13.162 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.953 -1.771 12.130 1.00 0.00 H new ATOM 113 N VAL A 9 0.071 -0.364 9.922 1.00 0.00 N ATOM 114 CA VAL A 9 0.141 0.698 8.933 1.00 0.00 C ATOM 115 C VAL A 9 -1.195 1.442 8.895 1.00 0.00 C ATOM 116 O VAL A 9 -1.226 2.663 8.744 1.00 0.00 O ATOM 117 CB VAL A 9 0.543 0.122 7.573 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.393 1.169 6.468 1.00 0.00 C ATOM 119 CG2 VAL A 9 1.967 -0.434 7.613 1.00 0.00 C ATOM 0 H VAL A 9 0.112 -1.308 9.537 1.00 0.00 H new ATOM 0 HA VAL A 9 0.909 1.422 9.204 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.132 -0.703 7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.685 0.734 5.512 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.645 1.496 6.415 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.032 2.024 6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.228 -0.837 6.634 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.662 0.364 7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.028 -1.226 8.360 1.00 0.00 H new ATOM 129 N ALA A 10 -2.267 0.677 9.036 1.00 0.00 N ATOM 130 CA ALA A 10 -3.601 1.254 9.063 1.00 0.00 C ATOM 131 C ALA A 10 -3.660 2.339 10.140 1.00 0.00 C ATOM 132 O ALA A 10 -4.219 3.411 9.916 1.00 0.00 O ATOM 133 CB ALA A 10 -4.631 0.147 9.294 1.00 0.00 C ATOM 0 H ALA A 10 -2.240 -0.338 9.133 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.836 1.724 8.108 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.631 0.579 9.314 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.568 -0.583 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.429 -0.345 10.245 1.00 0.00 H new ATOM 139 N ASP A 11 -3.075 2.023 11.286 1.00 0.00 N ATOM 140 CA ASP A 11 -3.146 2.913 12.433 1.00 0.00 C ATOM 141 C ASP A 11 -2.230 4.116 12.196 1.00 0.00 C ATOM 142 O ASP A 11 -2.550 5.232 12.600 1.00 0.00 O ATOM 143 CB ASP A 11 -2.679 2.207 13.707 1.00 0.00 C ATOM 144 CG ASP A 11 -3.790 1.870 14.704 1.00 0.00 C ATOM 145 OD1 ASP A 11 -4.878 1.477 14.229 1.00 0.00 O ATOM 146 OD2 ASP A 11 -3.527 2.013 15.917 1.00 0.00 O ATOM 0 H ASP A 11 -2.550 1.163 11.445 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.183 3.226 12.554 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.170 1.284 13.427 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.943 2.838 14.205 1.00 0.00 H new ATOM 151 N TYR A 12 -1.110 3.846 11.542 1.00 0.00 N ATOM 152 CA TYR A 12 -0.132 4.887 11.274 1.00 0.00 C ATOM 153 C TYR A 12 -0.692 5.929 10.304 1.00 0.00 C ATOM 154 O TYR A 12 -0.413 7.120 10.438 1.00 0.00 O ATOM 155 CB TYR A 12 1.060 4.186 10.618 1.00 0.00 C ATOM 156 CG TYR A 12 2.319 5.051 10.528 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.519 5.867 9.433 1.00 0.00 C ATOM 158 CD2 TYR A 12 3.253 5.015 11.543 1.00 0.00 C ATOM 159 CE1 TYR A 12 3.704 6.681 9.350 1.00 0.00 C ATOM 160 CE2 TYR A 12 4.438 5.830 11.459 1.00 0.00 C ATOM 161 CZ TYR A 12 4.605 6.622 10.367 1.00 0.00 C ATOM 162 OH TYR A 12 5.724 7.391 10.288 1.00 0.00 O ATOM 0 H TYR A 12 -0.858 2.922 11.190 1.00 0.00 H new ATOM 0 HA TYR A 12 0.141 5.404 12.194 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.292 3.282 11.182 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.776 3.871 9.614 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.787 5.895 8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.096 4.376 12.400 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.873 7.324 8.499 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.177 5.812 12.246 1.00 0.00 H new ATOM 0 HH TYR A 12 6.276 7.248 11.085 1.00 0.00 H new ATOM 172 N LEU A 13 -1.472 5.444 9.349 1.00 0.00 N ATOM 173 CA LEU A 13 -2.213 6.328 8.466 1.00 0.00 C ATOM 174 C LEU A 13 -3.099 7.253 9.303 1.00 0.00 C ATOM 175 O LEU A 13 -2.998 8.475 9.202 1.00 0.00 O ATOM 176 CB LEU A 13 -2.983 5.520 7.420 1.00 0.00 C ATOM 177 CG LEU A 13 -2.177 5.052 6.207 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.558 3.623 5.813 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.327 6.028 5.039 1.00 0.00 C ATOM 0 H LEU A 13 -1.607 4.449 9.168 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.529 6.964 7.903 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.409 4.644 7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.818 6.124 7.065 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.122 5.039 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.970 3.315 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.357 2.950 6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.618 3.585 5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.744 5.672 4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.377 6.097 4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.967 7.012 5.339 1.00 0.00 H new ATOM 191 N ILE A 14 -3.947 6.635 10.112 1.00 0.00 N ATOM 192 CA ILE A 14 -4.910 7.384 10.901 1.00 0.00 C ATOM 193 C ILE A 14 -4.175 8.450 11.716 1.00 0.00 C ATOM 194 O ILE A 14 -4.669 9.566 11.874 1.00 0.00 O ATOM 195 CB ILE A 14 -5.759 6.436 11.751 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.791 5.705 10.891 1.00 0.00 C ATOM 197 CG2 ILE A 14 -6.409 7.181 12.918 1.00 0.00 C ATOM 198 CD1 ILE A 14 -8.035 6.568 10.674 1.00 0.00 C ATOM 0 H ILE A 14 -3.987 5.624 10.238 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.612 7.907 10.251 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.102 5.678 12.179 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.350 5.448 9.928 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.073 4.769 11.373 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.007 6.485 13.506 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.634 7.617 13.549 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.050 7.973 12.532 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.752 6.024 10.059 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.487 6.803 11.637 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.753 7.493 10.170 1.00 0.00 H new ATOM 210 N ARG A 15 -3.008 8.069 12.213 1.00 0.00 N ATOM 211 CA ARG A 15 -2.264 8.928 13.120 1.00 0.00 C ATOM 212 C ARG A 15 -1.685 10.124 12.363 1.00 0.00 C ATOM 213 O ARG A 15 -2.092 11.263 12.588 1.00 0.00 O ATOM 214 CB ARG A 15 -1.126 8.160 13.795 1.00 0.00 C ATOM 215 CG ARG A 15 -0.908 8.652 15.228 1.00 0.00 C ATOM 216 CD ARG A 15 0.149 7.808 15.942 1.00 0.00 C ATOM 217 NE ARG A 15 0.429 8.374 17.281 1.00 0.00 N ATOM 218 CZ ARG A 15 1.349 7.887 18.125 1.00 0.00 C ATOM 219 NH1 ARG A 15 2.064 6.806 17.786 1.00 0.00 N ATOM 220 NH2 ARG A 15 1.554 8.482 19.308 1.00 0.00 N ATOM 0 H ARG A 15 -2.559 7.177 12.005 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.955 9.279 13.886 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.356 7.095 13.803 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.208 8.283 13.220 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.596 9.696 15.214 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.848 8.607 15.779 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.199 6.780 16.038 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.064 7.781 15.351 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.112 9.185 17.580 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.908 6.353 16.885 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.764 6.436 18.429 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.010 9.305 19.566 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.254 8.112 19.951 1.00 0.00 H new ATOM 234 N TYR A 16 -0.743 9.826 11.480 1.00 0.00 N ATOM 235 CA TYR A 16 0.108 10.859 10.915 1.00 0.00 C ATOM 236 C TYR A 16 -0.436 11.341 9.568 1.00 0.00 C ATOM 237 O TYR A 16 0.078 12.300 8.994 1.00 0.00 O ATOM 238 CB TYR A 16 1.475 10.208 10.696 1.00 0.00 C ATOM 239 CG TYR A 16 2.176 9.784 11.988 1.00 0.00 C ATOM 240 CD1 TYR A 16 2.650 10.741 12.862 1.00 0.00 C ATOM 241 CD2 TYR A 16 2.334 8.444 12.280 1.00 0.00 C ATOM 242 CE1 TYR A 16 3.311 10.342 14.078 1.00 0.00 C ATOM 243 CE2 TYR A 16 2.994 8.045 13.496 1.00 0.00 C ATOM 244 CZ TYR A 16 3.450 9.014 14.335 1.00 0.00 C ATOM 245 OH TYR A 16 4.073 8.637 15.483 1.00 0.00 O ATOM 0 H TYR A 16 -0.550 8.883 11.142 1.00 0.00 H new ATOM 0 HA TYR A 16 0.158 11.721 11.580 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.351 9.333 10.058 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.117 10.906 10.159 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.525 11.789 12.634 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.963 7.695 11.596 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.688 11.081 14.770 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.124 7.000 13.737 1.00 0.00 H new ATOM 0 HH TYR A 16 4.099 7.659 15.535 1.00 0.00 H new ATOM 255 N LYS A 17 -1.469 10.653 9.103 1.00 0.00 N ATOM 256 CA LYS A 17 -2.043 10.953 7.802 1.00 0.00 C ATOM 257 C LYS A 17 -0.961 10.817 6.729 1.00 0.00 C ATOM 258 O LYS A 17 -0.800 11.701 5.889 1.00 0.00 O ATOM 259 CB LYS A 17 -2.722 12.324 7.820 1.00 0.00 C ATOM 260 CG LYS A 17 -4.078 12.255 8.527 1.00 0.00 C ATOM 261 CD LYS A 17 -3.908 12.318 10.046 1.00 0.00 C ATOM 262 CE LYS A 17 -5.261 12.474 10.743 1.00 0.00 C ATOM 263 NZ LYS A 17 -5.112 12.311 12.206 1.00 0.00 N ATOM 0 H LYS A 17 -1.923 9.889 9.604 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.828 10.237 7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.080 13.045 8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.858 12.680 6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.708 13.079 8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.589 11.332 8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.416 11.412 10.398 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.261 13.155 10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.680 13.456 10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.962 11.734 10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.979 12.633 12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.947 11.309 12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.305 12.877 12.538 1.00 0.00 H new ATOM 277 N ARG A 18 -0.248 9.702 6.791 1.00 0.00 N ATOM 278 CA ARG A 18 0.616 9.304 5.692 1.00 0.00 C ATOM 279 C ARG A 18 1.043 7.844 5.855 1.00 0.00 C ATOM 280 O ARG A 18 0.775 7.226 6.884 1.00 0.00 O ATOM 281 CB ARG A 18 1.862 10.189 5.623 1.00 0.00 C ATOM 282 CG ARG A 18 2.447 10.421 7.018 1.00 0.00 C ATOM 283 CD ARG A 18 3.879 10.953 6.931 1.00 0.00 C ATOM 284 NE ARG A 18 3.880 12.309 6.338 1.00 0.00 N ATOM 285 CZ ARG A 18 4.989 12.978 5.995 1.00 0.00 C ATOM 286 NH1 ARG A 18 6.195 12.453 6.252 1.00 0.00 N ATOM 287 NH2 ARG A 18 4.892 14.172 5.394 1.00 0.00 N ATOM 0 H ARG A 18 -0.251 9.062 7.585 1.00 0.00 H new ATOM 0 HA ARG A 18 0.051 9.419 4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.610 9.720 4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.608 11.146 5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.825 11.130 7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.436 9.488 7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.326 10.981 7.925 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.489 10.282 6.326 1.00 0.00 H new ATOM 0 HE ARG A 18 2.980 12.763 6.181 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.269 11.544 6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.039 12.962 5.991 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.974 14.571 5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.736 14.682 5.133 1.00 0.00 H new ATOM 301 N LEU A 19 1.700 7.335 4.823 1.00 0.00 N ATOM 302 CA LEU A 19 2.391 6.061 4.931 1.00 0.00 C ATOM 303 C LEU A 19 3.670 6.248 5.749 1.00 0.00 C ATOM 304 O LEU A 19 4.112 7.375 5.969 1.00 0.00 O ATOM 305 CB LEU A 19 2.631 5.462 3.544 1.00 0.00 C ATOM 306 CG LEU A 19 1.408 4.853 2.855 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.735 4.443 1.418 1.00 0.00 C ATOM 308 CD2 LEU A 19 0.844 3.688 3.670 1.00 0.00 C ATOM 0 H LEU A 19 1.768 7.781 3.908 1.00 0.00 H new ATOM 0 HA LEU A 19 1.774 5.337 5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.036 6.241 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.396 4.690 3.631 1.00 0.00 H new ATOM 0 HG LEU A 19 0.631 5.615 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.849 4.013 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.054 5.319 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.536 3.704 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.024 3.273 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.606 2.916 3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.548 4.044 4.657 1.00 0.00 H new ATOM 320 N PRO A 20 4.244 5.097 6.190 1.00 0.00 N ATOM 321 CA PRO A 20 5.612 5.082 6.679 1.00 0.00 C ATOM 322 C PRO A 20 6.609 5.176 5.522 1.00 0.00 C ATOM 323 O PRO A 20 6.241 4.985 4.364 1.00 0.00 O ATOM 324 CB PRO A 20 5.735 3.786 7.465 1.00 0.00 C ATOM 325 CG PRO A 20 4.585 2.907 7.001 1.00 0.00 C ATOM 326 CD PRO A 20 3.608 3.783 6.235 1.00 0.00 C ATOM 0 HA PRO A 20 5.842 5.939 7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.695 3.305 7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.676 3.972 8.537 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.953 2.101 6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.092 2.441 7.854 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.430 3.395 5.232 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.641 3.828 6.735 1.00 0.00 H new ATOM 334 N ASP A 21 7.852 5.471 5.876 1.00 0.00 N ATOM 335 CA ASP A 21 8.839 5.862 4.885 1.00 0.00 C ATOM 336 C ASP A 21 9.561 4.615 4.370 1.00 0.00 C ATOM 337 O ASP A 21 10.503 4.718 3.587 1.00 0.00 O ATOM 338 CB ASP A 21 9.887 6.798 5.491 1.00 0.00 C ATOM 339 CG ASP A 21 10.821 7.465 4.479 1.00 0.00 C ATOM 340 OD1 ASP A 21 10.302 8.263 3.669 1.00 0.00 O ATOM 341 OD2 ASP A 21 12.032 7.162 4.539 1.00 0.00 O ATOM 0 H ASP A 21 8.197 5.447 6.835 1.00 0.00 H new ATOM 0 HA ASP A 21 8.319 6.377 4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.374 7.576 6.057 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.490 6.232 6.201 1.00 0.00 H new ATOM 346 N ASN A 22 9.091 3.466 4.832 1.00 0.00 N ATOM 347 CA ASN A 22 9.641 2.198 4.383 1.00 0.00 C ATOM 348 C ASN A 22 9.072 1.861 3.003 1.00 0.00 C ATOM 349 O ASN A 22 9.571 0.964 2.325 1.00 0.00 O ATOM 350 CB ASN A 22 9.264 1.065 5.340 1.00 0.00 C ATOM 351 CG ASN A 22 7.747 0.980 5.519 1.00 0.00 C ATOM 352 OD1 ASN A 22 6.994 1.827 5.068 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.342 -0.088 6.200 1.00 0.00 N ATOM 0 H ASN A 22 8.336 3.386 5.513 1.00 0.00 H new ATOM 0 HA ASN A 22 10.726 2.294 4.348 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.642 0.118 4.955 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.739 1.228 6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.348 -0.236 6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.026 -0.759 6.550 1.00 0.00 H new ATOM 360 N TYR A 23 8.036 2.597 2.629 1.00 0.00 N ATOM 361 CA TYR A 23 7.438 2.434 1.315 1.00 0.00 C ATOM 362 C TYR A 23 7.753 3.632 0.417 1.00 0.00 C ATOM 363 O TYR A 23 7.381 4.762 0.730 1.00 0.00 O ATOM 364 CB TYR A 23 5.927 2.368 1.545 1.00 0.00 C ATOM 365 CG TYR A 23 5.490 1.248 2.491 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.243 0.095 2.590 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.343 1.390 3.246 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.832 -0.959 3.481 1.00 0.00 C ATOM 369 CE2 TYR A 23 3.932 0.336 4.136 1.00 0.00 C ATOM 370 CZ TYR A 23 4.697 -0.786 4.210 1.00 0.00 C ATOM 371 OH TYR A 23 4.308 -1.782 5.051 1.00 0.00 O ATOM 0 H TYR A 23 7.595 3.308 3.213 1.00 0.00 H new ATOM 0 HA TYR A 23 7.826 1.541 0.825 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.589 3.323 1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.429 2.233 0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.140 -0.016 1.999 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.754 2.292 3.169 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.412 -1.866 3.568 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.036 0.434 4.732 1.00 0.00 H new ATOM 0 HH TYR A 23 5.051 -2.407 5.184 1.00 0.00 H new ATOM 381 N ILE A 24 8.436 3.344 -0.681 1.00 0.00 N ATOM 382 CA ILE A 24 8.644 4.343 -1.716 1.00 0.00 C ATOM 383 C ILE A 24 7.739 4.031 -2.909 1.00 0.00 C ATOM 384 O ILE A 24 7.202 2.930 -3.015 1.00 0.00 O ATOM 385 CB ILE A 24 10.128 4.438 -2.078 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.647 3.104 -2.618 1.00 0.00 C ATOM 387 CG2 ILE A 24 10.952 4.934 -0.889 1.00 0.00 C ATOM 388 CD1 ILE A 24 11.991 3.284 -3.326 1.00 0.00 C ATOM 0 H ILE A 24 8.852 2.434 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 24 8.364 5.332 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 24 10.238 5.173 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.756 2.394 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.920 2.681 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.003 4.992 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.602 5.922 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.840 4.242 -0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.337 2.320 -3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.873 3.976 -4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.722 3.684 -2.623 1.00 0.00 H new ATOM 400 N THR A 25 7.597 5.022 -3.778 1.00 0.00 N ATOM 401 CA THR A 25 6.693 4.901 -4.909 1.00 0.00 C ATOM 402 C THR A 25 7.332 4.058 -6.015 1.00 0.00 C ATOM 403 O THR A 25 8.548 3.875 -6.037 1.00 0.00 O ATOM 404 CB THR A 25 6.313 6.311 -5.364 1.00 0.00 C ATOM 405 OG1 THR A 25 7.454 7.100 -5.038 1.00 0.00 O ATOM 406 CG2 THR A 25 5.189 6.915 -4.520 1.00 0.00 C ATOM 0 H THR A 25 8.093 5.912 -3.721 1.00 0.00 H new ATOM 0 HA THR A 25 5.779 4.376 -4.630 1.00 0.00 H new ATOM 0 HB THR A 25 6.008 6.285 -6.410 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.294 8.030 -5.301 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.958 7.916 -4.885 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.301 6.288 -4.594 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.506 6.973 -3.479 1.00 0.00 H new ATOM 414 N LYS A 26 6.483 3.567 -6.906 1.00 0.00 N ATOM 415 CA LYS A 26 6.959 2.849 -8.077 1.00 0.00 C ATOM 416 C LYS A 26 7.991 3.707 -8.811 1.00 0.00 C ATOM 417 O LYS A 26 9.061 3.222 -9.176 1.00 0.00 O ATOM 418 CB LYS A 26 5.783 2.416 -8.954 1.00 0.00 C ATOM 419 CG LYS A 26 5.001 1.275 -8.299 1.00 0.00 C ATOM 420 CD LYS A 26 3.710 0.984 -9.066 1.00 0.00 C ATOM 421 CE LYS A 26 4.013 0.406 -10.450 1.00 0.00 C ATOM 422 NZ LYS A 26 3.754 1.416 -11.501 1.00 0.00 N ATOM 0 H LYS A 26 5.469 3.652 -6.841 1.00 0.00 H new ATOM 0 HA LYS A 26 7.462 1.928 -7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.120 3.264 -9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.150 2.097 -9.929 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.619 0.378 -8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.764 1.537 -7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.097 0.282 -8.501 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.130 1.901 -9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.053 0.083 -10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.397 -0.476 -10.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.965 1.008 -12.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.755 1.705 -11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.360 2.246 -11.342 1.00 0.00 H new ATOM 436 N SER A 27 7.634 4.968 -9.006 1.00 0.00 N ATOM 437 CA SER A 27 8.458 5.866 -9.798 1.00 0.00 C ATOM 438 C SER A 27 9.861 5.956 -9.196 1.00 0.00 C ATOM 439 O SER A 27 10.841 6.122 -9.920 1.00 0.00 O ATOM 440 CB SER A 27 7.828 7.257 -9.887 1.00 0.00 C ATOM 441 OG SER A 27 6.499 7.210 -10.398 1.00 0.00 O ATOM 0 H SER A 27 6.785 5.389 -8.629 1.00 0.00 H new ATOM 0 HA SER A 27 8.528 5.464 -10.809 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.820 7.715 -8.898 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.440 7.892 -10.527 1.00 0.00 H new ATOM 0 HG SER A 27 6.131 8.118 -10.438 1.00 0.00 H new ATOM 447 N GLN A 28 9.913 5.842 -7.877 1.00 0.00 N ATOM 448 CA GLN A 28 11.180 5.910 -7.169 1.00 0.00 C ATOM 449 C GLN A 28 12.019 4.664 -7.460 1.00 0.00 C ATOM 450 O GLN A 28 13.135 4.767 -7.966 1.00 0.00 O ATOM 451 CB GLN A 28 10.959 6.083 -5.665 1.00 0.00 C ATOM 452 CG GLN A 28 11.857 7.186 -5.102 1.00 0.00 C ATOM 453 CD GLN A 28 11.515 7.479 -3.640 1.00 0.00 C ATOM 454 OE1 GLN A 28 10.396 7.819 -3.293 1.00 0.00 O ATOM 455 NE2 GLN A 28 12.539 7.330 -2.804 1.00 0.00 N ATOM 0 H GLN A 28 9.098 5.703 -7.280 1.00 0.00 H new ATOM 0 HA GLN A 28 11.726 6.783 -7.526 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.914 6.327 -5.473 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.167 5.143 -5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.902 6.885 -5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.740 8.093 -5.695 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.451 7.043 -3.160 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.413 7.503 -1.807 1.00 0.00 H new ATOM 464 N ALA A 29 11.449 3.515 -7.128 1.00 0.00 N ATOM 465 CA ALA A 29 12.119 2.249 -7.370 1.00 0.00 C ATOM 466 C ALA A 29 12.617 2.209 -8.816 1.00 0.00 C ATOM 467 O ALA A 29 13.735 1.771 -9.080 1.00 0.00 O ATOM 468 CB ALA A 29 11.166 1.096 -7.050 1.00 0.00 C ATOM 0 H ALA A 29 10.530 3.434 -6.693 1.00 0.00 H new ATOM 0 HA ALA A 29 12.987 2.144 -6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.670 0.147 -7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.865 1.152 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.283 1.166 -7.686 1.00 0.00 H new ATOM 474 N SER A 30 11.761 2.673 -9.716 1.00 0.00 N ATOM 475 CA SER A 30 12.034 2.557 -11.138 1.00 0.00 C ATOM 476 C SER A 30 13.235 3.429 -11.513 1.00 0.00 C ATOM 477 O SER A 30 14.069 3.027 -12.322 1.00 0.00 O ATOM 478 CB SER A 30 10.811 2.953 -11.968 1.00 0.00 C ATOM 479 OG SER A 30 10.057 1.817 -12.382 1.00 0.00 O ATOM 0 H SER A 30 10.878 3.130 -9.487 1.00 0.00 H new ATOM 0 HA SER A 30 12.266 1.515 -11.358 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.175 3.617 -11.382 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.134 3.513 -12.845 1.00 0.00 H new ATOM 0 HG SER A 30 9.284 2.111 -12.908 1.00 0.00 H new ATOM 485 N ALA A 31 13.283 4.606 -10.907 1.00 0.00 N ATOM 486 CA ALA A 31 14.385 5.523 -11.141 1.00 0.00 C ATOM 487 C ALA A 31 15.697 4.854 -10.725 1.00 0.00 C ATOM 488 O ALA A 31 16.728 5.050 -11.365 1.00 0.00 O ATOM 489 CB ALA A 31 14.132 6.829 -10.385 1.00 0.00 C ATOM 0 H ALA A 31 12.577 4.946 -10.254 1.00 0.00 H new ATOM 0 HA ALA A 31 14.461 5.769 -12.200 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.959 7.517 -10.561 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.204 7.279 -10.737 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.053 6.622 -9.318 1.00 0.00 H new ATOM 495 N LEU A 32 15.614 4.078 -9.654 1.00 0.00 N ATOM 496 CA LEU A 32 16.788 3.404 -9.126 1.00 0.00 C ATOM 497 C LEU A 32 17.147 2.227 -10.035 1.00 0.00 C ATOM 498 O LEU A 32 18.265 1.716 -9.985 1.00 0.00 O ATOM 499 CB LEU A 32 16.567 3.007 -7.665 1.00 0.00 C ATOM 500 CG LEU A 32 16.351 4.160 -6.682 1.00 0.00 C ATOM 501 CD1 LEU A 32 15.807 3.647 -5.347 1.00 0.00 C ATOM 502 CD2 LEU A 32 17.633 4.975 -6.504 1.00 0.00 C ATOM 0 H LEU A 32 14.752 3.901 -9.138 1.00 0.00 H new ATOM 0 HA LEU A 32 17.644 4.078 -9.123 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.701 2.347 -7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.429 2.428 -7.332 1.00 0.00 H new ATOM 0 HG LEU A 32 15.599 4.830 -7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.662 4.486 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.854 3.145 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.517 2.944 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.453 5.788 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.423 4.331 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 32 17.938 5.388 -7.466 1.00 0.00 H new ATOM 514 N GLY A 33 16.177 1.830 -10.846 1.00 0.00 N ATOM 515 CA GLY A 33 16.444 0.909 -11.938 1.00 0.00 C ATOM 516 C GLY A 33 15.721 -0.421 -11.724 1.00 0.00 C ATOM 517 O GLY A 33 15.986 -1.396 -12.425 1.00 0.00 O ATOM 0 H GLY A 33 15.205 2.129 -10.769 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.123 1.354 -12.880 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.517 0.735 -12.017 1.00 0.00 H new ATOM 521 N TRP A 34 14.820 -0.419 -10.752 1.00 0.00 N ATOM 522 CA TRP A 34 13.939 -1.555 -10.545 1.00 0.00 C ATOM 523 C TRP A 34 13.091 -1.732 -11.807 1.00 0.00 C ATOM 524 O TRP A 34 12.542 -0.764 -12.330 1.00 0.00 O ATOM 525 CB TRP A 34 13.098 -1.374 -9.280 1.00 0.00 C ATOM 526 CG TRP A 34 11.877 -2.294 -9.207 1.00 0.00 C ATOM 527 CD1 TRP A 34 11.854 -3.619 -9.013 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.495 -1.900 -9.335 1.00 0.00 C ATOM 529 NE1 TRP A 34 10.563 -4.107 -9.007 1.00 0.00 N ATOM 530 CE2 TRP A 34 9.710 -3.028 -9.209 1.00 0.00 C ATOM 531 CE3 TRP A 34 9.926 -0.632 -9.551 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.312 -3.002 -9.284 1.00 0.00 C ATOM 533 CZ3 TRP A 34 8.528 -0.623 -9.623 1.00 0.00 C ATOM 534 CH2 TRP A 34 7.724 -1.750 -9.498 1.00 0.00 C ATOM 0 H TRP A 34 14.682 0.352 -10.099 1.00 0.00 H new ATOM 0 HA TRP A 34 14.516 -2.466 -10.383 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.728 -1.553 -8.409 1.00 0.00 H new ATOM 0 HB3 TRP A 34 12.763 -0.338 -9.224 1.00 0.00 H new ATOM 0 HD1 TRP A 34 12.735 -4.229 -8.878 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.286 -5.080 -8.878 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.521 0.264 -9.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 7.720 -3.899 -9.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.040 0.326 -9.787 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.650 -1.660 -9.566 1.00 0.00 H new ATOM 545 N VAL A 35 13.012 -2.974 -12.259 1.00 0.00 N ATOM 546 CA VAL A 35 12.520 -3.254 -13.597 1.00 0.00 C ATOM 547 C VAL A 35 11.097 -3.807 -13.507 1.00 0.00 C ATOM 548 O VAL A 35 10.315 -3.674 -14.447 1.00 0.00 O ATOM 549 CB VAL A 35 13.483 -4.196 -14.323 1.00 0.00 C ATOM 550 CG1 VAL A 35 13.064 -4.391 -15.781 1.00 0.00 C ATOM 551 CG2 VAL A 35 14.923 -3.688 -14.229 1.00 0.00 C ATOM 0 H VAL A 35 13.281 -3.799 -11.722 1.00 0.00 H new ATOM 0 HA VAL A 35 12.476 -2.338 -14.187 1.00 0.00 H new ATOM 0 HB VAL A 35 13.438 -5.167 -13.829 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.765 -5.065 -16.274 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.062 -4.819 -15.818 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.066 -3.428 -16.292 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.586 -4.376 -14.753 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.991 -2.700 -14.685 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.219 -3.625 -13.182 1.00 0.00 H new ATOM 561 N ALA A 36 10.803 -4.416 -12.368 1.00 0.00 N ATOM 562 CA ALA A 36 9.517 -5.063 -12.174 1.00 0.00 C ATOM 563 C ALA A 36 9.412 -6.269 -13.110 1.00 0.00 C ATOM 564 O ALA A 36 8.320 -6.623 -13.552 1.00 0.00 O ATOM 565 CB ALA A 36 8.395 -4.048 -12.403 1.00 0.00 C ATOM 0 H ALA A 36 11.434 -4.475 -11.569 1.00 0.00 H new ATOM 0 HA ALA A 36 9.422 -5.429 -11.152 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.430 -4.533 -12.257 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.498 -3.226 -11.695 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.457 -3.661 -13.420 1.00 0.00 H new ATOM 571 N SER A 37 10.562 -6.866 -13.385 1.00 0.00 N ATOM 572 CA SER A 37 10.600 -8.099 -14.153 1.00 0.00 C ATOM 573 C SER A 37 11.980 -8.749 -14.031 1.00 0.00 C ATOM 574 O SER A 37 12.104 -9.855 -13.507 1.00 0.00 O ATOM 575 CB SER A 37 10.263 -7.842 -15.623 1.00 0.00 C ATOM 576 OG SER A 37 10.436 -9.009 -16.422 1.00 0.00 O ATOM 0 H SER A 37 11.475 -6.519 -13.090 1.00 0.00 H new ATOM 0 HA SER A 37 9.849 -8.777 -13.749 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.232 -7.497 -15.704 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.898 -7.043 -16.006 1.00 0.00 H new ATOM 0 HG SER A 37 10.209 -8.804 -17.353 1.00 0.00 H new ATOM 582 N LYS A 38 12.981 -8.035 -14.523 1.00 0.00 N ATOM 583 CA LYS A 38 14.345 -8.535 -14.488 1.00 0.00 C ATOM 584 C LYS A 38 15.110 -7.838 -13.361 1.00 0.00 C ATOM 585 O LYS A 38 15.528 -6.691 -13.506 1.00 0.00 O ATOM 586 CB LYS A 38 15.004 -8.388 -15.861 1.00 0.00 C ATOM 587 CG LYS A 38 16.398 -9.020 -15.870 1.00 0.00 C ATOM 588 CD LYS A 38 17.022 -8.952 -17.266 1.00 0.00 C ATOM 589 CE LYS A 38 17.540 -7.544 -17.567 1.00 0.00 C ATOM 590 NZ LYS A 38 18.258 -7.522 -18.861 1.00 0.00 N ATOM 0 H LYS A 38 12.875 -7.114 -14.948 1.00 0.00 H new ATOM 0 HA LYS A 38 14.354 -9.602 -14.268 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.381 -8.861 -16.620 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.078 -7.332 -16.122 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.040 -8.504 -15.155 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.332 -10.059 -15.547 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.841 -9.668 -17.337 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.282 -9.239 -18.013 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.707 -6.842 -17.595 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.206 -7.217 -16.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.603 -6.559 -19.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 19.065 -8.177 -18.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.612 -7.814 -19.622 1.00 0.00 H new ATOM 604 N GLY A 39 15.271 -8.562 -12.263 1.00 0.00 N ATOM 605 CA GLY A 39 15.898 -7.998 -11.080 1.00 0.00 C ATOM 606 C GLY A 39 14.853 -7.649 -10.019 1.00 0.00 C ATOM 607 O GLY A 39 13.963 -6.836 -10.263 1.00 0.00 O ATOM 0 H GLY A 39 14.978 -9.534 -12.168 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.614 -8.710 -10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.458 -7.103 -11.352 1.00 0.00 H new ATOM 611 N ASN A 40 14.995 -8.281 -8.863 1.00 0.00 N ATOM 612 CA ASN A 40 14.009 -8.139 -7.806 1.00 0.00 C ATOM 613 C ASN A 40 14.205 -6.791 -7.108 1.00 0.00 C ATOM 614 O ASN A 40 15.210 -6.117 -7.325 1.00 0.00 O ATOM 615 CB ASN A 40 14.163 -9.241 -6.757 1.00 0.00 C ATOM 616 CG ASN A 40 15.566 -9.224 -6.146 1.00 0.00 C ATOM 617 OD1 ASN A 40 16.543 -9.624 -6.758 1.00 0.00 O ATOM 618 ND2 ASN A 40 15.611 -8.740 -4.908 1.00 0.00 N ATOM 0 H ASN A 40 15.779 -8.893 -8.636 1.00 0.00 H new ATOM 0 HA ASN A 40 13.019 -8.207 -8.258 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.419 -9.107 -5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 40 13.973 -10.212 -7.214 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.501 -8.687 -4.413 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.755 -8.422 -4.453 1.00 0.00 H new ATOM 625 N LEU A 41 13.228 -6.439 -6.285 1.00 0.00 N ATOM 626 CA LEU A 41 13.158 -5.095 -5.738 1.00 0.00 C ATOM 627 C LEU A 41 14.366 -4.856 -4.830 1.00 0.00 C ATOM 628 O LEU A 41 15.173 -3.964 -5.087 1.00 0.00 O ATOM 629 CB LEU A 41 11.813 -4.868 -5.045 1.00 0.00 C ATOM 630 CG LEU A 41 11.471 -3.416 -4.704 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.388 -2.561 -5.970 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.189 -3.336 -3.872 1.00 0.00 C ATOM 0 H LEU A 41 12.478 -7.062 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 41 13.207 -4.355 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.025 -5.265 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.799 -5.450 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 41 12.277 -3.009 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.144 -1.534 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.348 -2.582 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.614 -2.957 -6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.968 -2.293 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.362 -3.767 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.323 -3.891 -2.943 1.00 0.00 H new ATOM 644 N ALA A 42 14.451 -5.668 -3.786 1.00 0.00 N ATOM 645 CA ALA A 42 15.400 -5.412 -2.716 1.00 0.00 C ATOM 646 C ALA A 42 16.795 -5.216 -3.312 1.00 0.00 C ATOM 647 O ALA A 42 17.613 -4.484 -2.759 1.00 0.00 O ATOM 648 CB ALA A 42 15.353 -6.562 -1.707 1.00 0.00 C ATOM 0 H ALA A 42 13.879 -6.503 -3.659 1.00 0.00 H new ATOM 0 HA ALA A 42 15.139 -4.498 -2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.065 -6.371 -0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.349 -6.640 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.612 -7.495 -2.207 1.00 0.00 H new ATOM 654 N GLU A 43 17.024 -5.885 -4.433 1.00 0.00 N ATOM 655 CA GLU A 43 18.334 -5.867 -5.061 1.00 0.00 C ATOM 656 C GLU A 43 18.720 -4.436 -5.443 1.00 0.00 C ATOM 657 O GLU A 43 19.835 -3.996 -5.169 1.00 0.00 O ATOM 658 CB GLU A 43 18.370 -6.789 -6.281 1.00 0.00 C ATOM 659 CG GLU A 43 19.778 -6.857 -6.876 1.00 0.00 C ATOM 660 CD GLU A 43 19.926 -5.884 -8.048 1.00 0.00 C ATOM 661 OE1 GLU A 43 19.335 -6.180 -9.109 1.00 0.00 O ATOM 662 OE2 GLU A 43 20.627 -4.867 -7.856 1.00 0.00 O ATOM 0 H GLU A 43 16.324 -6.443 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 43 19.065 -6.240 -4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.043 -7.789 -5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.670 -6.428 -7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.513 -6.620 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.985 -7.873 -7.213 1.00 0.00 H new ATOM 669 N VAL A 44 17.776 -3.750 -6.070 1.00 0.00 N ATOM 670 CA VAL A 44 18.058 -2.449 -6.653 1.00 0.00 C ATOM 671 C VAL A 44 17.772 -1.359 -5.619 1.00 0.00 C ATOM 672 O VAL A 44 18.491 -0.363 -5.547 1.00 0.00 O ATOM 673 CB VAL A 44 17.259 -2.271 -7.946 1.00 0.00 C ATOM 674 CG1 VAL A 44 17.513 -0.893 -8.561 1.00 0.00 C ATOM 675 CG2 VAL A 44 17.578 -3.385 -8.945 1.00 0.00 C ATOM 0 H VAL A 44 16.815 -4.071 -6.187 1.00 0.00 H new ATOM 0 HA VAL A 44 19.111 -2.372 -6.924 1.00 0.00 H new ATOM 0 HB VAL A 44 16.200 -2.337 -7.698 1.00 0.00 H new ATOM 0 HG11 VAL A 44 16.934 -0.792 -9.479 1.00 0.00 H new ATOM 0 HG12 VAL A 44 17.213 -0.119 -7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 44 18.574 -0.786 -8.788 1.00 0.00 H new ATOM 0 HG21 VAL A 44 16.997 -3.235 -9.855 1.00 0.00 H new ATOM 0 HG22 VAL A 44 18.641 -3.365 -9.186 1.00 0.00 H new ATOM 0 HG23 VAL A 44 17.324 -4.350 -8.507 1.00 0.00 H new ATOM 685 N ALA A 45 16.722 -1.584 -4.843 1.00 0.00 N ATOM 686 CA ALA A 45 16.339 -0.638 -3.809 1.00 0.00 C ATOM 687 C ALA A 45 16.083 -1.392 -2.503 1.00 0.00 C ATOM 688 O ALA A 45 14.948 -1.762 -2.207 1.00 0.00 O ATOM 689 CB ALA A 45 15.116 0.157 -4.272 1.00 0.00 C ATOM 0 H ALA A 45 16.124 -2.408 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 45 17.142 0.076 -3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.828 0.867 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.359 0.698 -5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.289 -0.527 -4.463 1.00 0.00 H new ATOM 695 N PRO A 46 17.186 -1.602 -1.735 1.00 0.00 N ATOM 696 CA PRO A 46 17.116 -2.408 -0.528 1.00 0.00 C ATOM 697 C PRO A 46 16.431 -1.640 0.604 1.00 0.00 C ATOM 698 O PRO A 46 16.529 -0.416 0.677 1.00 0.00 O ATOM 699 CB PRO A 46 18.558 -2.771 -0.213 1.00 0.00 C ATOM 700 CG PRO A 46 19.415 -1.777 -0.980 1.00 0.00 C ATOM 701 CD PRO A 46 18.525 -1.079 -1.995 1.00 0.00 C ATOM 0 HA PRO A 46 16.513 -3.307 -0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.751 -2.709 0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.779 -3.794 -0.518 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.859 -1.051 -0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.237 -2.289 -1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.558 0.004 -1.873 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.843 -1.294 -3.015 1.00 0.00 H new ATOM 709 N GLY A 47 15.754 -2.391 1.460 1.00 0.00 N ATOM 710 CA GLY A 47 15.212 -1.827 2.685 1.00 0.00 C ATOM 711 C GLY A 47 13.826 -1.225 2.445 1.00 0.00 C ATOM 712 O GLY A 47 13.205 -0.701 3.368 1.00 0.00 O ATOM 0 H GLY A 47 15.568 -3.385 1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.149 -2.602 3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.885 -1.059 3.065 1.00 0.00 H new ATOM 716 N LYS A 48 13.382 -1.319 1.200 1.00 0.00 N ATOM 717 CA LYS A 48 12.217 -0.570 0.762 1.00 0.00 C ATOM 718 C LYS A 48 11.146 -1.544 0.267 1.00 0.00 C ATOM 719 O LYS A 48 11.447 -2.695 -0.049 1.00 0.00 O ATOM 720 CB LYS A 48 12.615 0.484 -0.273 1.00 0.00 C ATOM 721 CG LYS A 48 12.824 1.849 0.387 1.00 0.00 C ATOM 722 CD LYS A 48 14.239 1.971 0.958 1.00 0.00 C ATOM 723 CE LYS A 48 15.230 2.405 -0.124 1.00 0.00 C ATOM 724 NZ LYS A 48 16.613 2.384 0.402 1.00 0.00 N ATOM 0 H LYS A 48 13.809 -1.903 0.481 1.00 0.00 H new ATOM 0 HA LYS A 48 11.785 -0.017 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.531 0.176 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.841 0.560 -1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.653 2.640 -0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.093 1.987 1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.245 2.694 1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.549 1.014 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.152 1.741 -0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.982 3.408 -0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.261 2.777 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.663 2.956 1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.888 1.404 0.617 1.00 0.00 H new ATOM 738 N SER A 49 9.919 -1.048 0.213 1.00 0.00 N ATOM 739 CA SER A 49 8.886 -1.690 -0.581 1.00 0.00 C ATOM 740 C SER A 49 8.192 -0.657 -1.471 1.00 0.00 C ATOM 741 O SER A 49 8.575 0.511 -1.487 1.00 0.00 O ATOM 742 CB SER A 49 7.862 -2.395 0.312 1.00 0.00 C ATOM 743 OG SER A 49 8.442 -2.850 1.532 1.00 0.00 O ATOM 0 H SER A 49 9.617 -0.208 0.707 1.00 0.00 H new ATOM 0 HA SER A 49 9.358 -2.444 -1.211 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.042 -1.712 0.533 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.435 -3.242 -0.225 1.00 0.00 H new ATOM 0 HG SER A 49 8.931 -3.684 1.371 1.00 0.00 H new ATOM 749 N ILE A 50 7.182 -1.126 -2.190 1.00 0.00 N ATOM 750 CA ILE A 50 6.309 -0.229 -2.927 1.00 0.00 C ATOM 751 C ILE A 50 5.181 0.247 -2.008 1.00 0.00 C ATOM 752 O ILE A 50 4.685 -0.517 -1.182 1.00 0.00 O ATOM 753 CB ILE A 50 5.815 -0.897 -4.212 1.00 0.00 C ATOM 754 CG1 ILE A 50 6.983 -1.467 -5.018 1.00 0.00 C ATOM 755 CG2 ILE A 50 4.964 0.068 -5.040 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.019 -0.383 -5.323 1.00 0.00 C ATOM 0 H ILE A 50 6.949 -2.115 -2.277 1.00 0.00 H new ATOM 0 HA ILE A 50 6.856 0.658 -3.247 1.00 0.00 H new ATOM 0 HB ILE A 50 5.175 -1.735 -3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.453 -2.278 -4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.613 -1.894 -5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.626 -0.432 -5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.099 0.384 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.560 0.941 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.839 -0.815 -5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.552 0.414 -5.901 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.405 0.024 -4.389 1.00 0.00 H new ATOM 768 N GLY A 51 4.810 1.507 -2.184 1.00 0.00 N ATOM 769 CA GLY A 51 3.546 1.995 -1.657 1.00 0.00 C ATOM 770 C GLY A 51 3.394 3.497 -1.903 1.00 0.00 C ATOM 771 O GLY A 51 4.338 4.159 -2.332 1.00 0.00 O ATOM 0 H GLY A 51 5.362 2.204 -2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.721 1.460 -2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.490 1.790 -0.588 1.00 0.00 H new ATOM 775 N GLY A 52 2.197 3.992 -1.621 1.00 0.00 N ATOM 776 CA GLY A 52 1.904 5.401 -1.821 1.00 0.00 C ATOM 777 C GLY A 52 1.510 5.678 -3.273 1.00 0.00 C ATOM 778 O GLY A 52 1.399 6.833 -3.680 1.00 0.00 O ATOM 0 H GLY A 52 1.419 3.442 -1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.096 5.706 -1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.776 5.999 -1.557 1.00 0.00 H new ATOM 782 N ASP A 53 1.308 4.599 -4.014 1.00 0.00 N ATOM 783 CA ASP A 53 0.864 4.710 -5.393 1.00 0.00 C ATOM 784 C ASP A 53 -0.665 4.669 -5.436 1.00 0.00 C ATOM 785 O ASP A 53 -1.300 4.105 -4.546 1.00 0.00 O ATOM 786 CB ASP A 53 1.391 3.549 -6.237 1.00 0.00 C ATOM 787 CG ASP A 53 2.910 3.369 -6.212 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.387 2.694 -5.275 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.561 3.911 -7.132 1.00 0.00 O ATOM 0 H ASP A 53 1.444 3.643 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 53 1.244 5.649 -5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.925 2.627 -5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.075 3.697 -7.270 1.00 0.00 H new ATOM 794 N VAL A 54 -1.212 5.275 -6.479 1.00 0.00 N ATOM 795 CA VAL A 54 -2.643 5.524 -6.534 1.00 0.00 C ATOM 796 C VAL A 54 -3.362 4.247 -6.974 1.00 0.00 C ATOM 797 O VAL A 54 -2.866 3.514 -7.827 1.00 0.00 O ATOM 798 CB VAL A 54 -2.931 6.717 -7.448 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.437 6.952 -7.584 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.223 7.977 -6.946 1.00 0.00 C ATOM 0 H VAL A 54 -0.691 5.601 -7.293 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.023 5.788 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.537 6.483 -8.437 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.614 7.805 -8.239 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.907 6.065 -8.009 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.864 7.153 -6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.445 8.809 -7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.572 8.215 -5.941 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.147 7.806 -6.925 1.00 0.00 H new ATOM 810 N PHE A 55 -4.519 4.021 -6.370 1.00 0.00 N ATOM 811 CA PHE A 55 -5.283 2.815 -6.644 1.00 0.00 C ATOM 812 C PHE A 55 -6.428 3.100 -7.619 1.00 0.00 C ATOM 813 O PHE A 55 -6.907 2.196 -8.301 1.00 0.00 O ATOM 814 CB PHE A 55 -5.868 2.344 -5.312 1.00 0.00 C ATOM 815 CG PHE A 55 -6.816 1.150 -5.436 1.00 0.00 C ATOM 816 CD1 PHE A 55 -6.321 -0.117 -5.422 1.00 0.00 C ATOM 817 CD2 PHE A 55 -8.155 1.354 -5.561 1.00 0.00 C ATOM 818 CE1 PHE A 55 -7.201 -1.225 -5.537 1.00 0.00 C ATOM 819 CE2 PHE A 55 -9.035 0.246 -5.677 1.00 0.00 C ATOM 820 CZ PHE A 55 -8.539 -1.021 -5.663 1.00 0.00 C ATOM 0 H PHE A 55 -4.946 4.652 -5.692 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.638 2.061 -7.094 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.051 2.078 -4.642 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.403 3.173 -4.849 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.258 -0.280 -5.323 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.549 2.360 -5.572 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.807 -2.231 -5.524 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.098 0.409 -5.776 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.208 -1.864 -5.752 1.00 0.00 H new ATOM 830 N SER A 56 -6.833 4.361 -7.652 1.00 0.00 N ATOM 831 CA SER A 56 -7.639 4.859 -8.754 1.00 0.00 C ATOM 832 C SER A 56 -9.122 4.602 -8.475 1.00 0.00 C ATOM 833 O SER A 56 -9.934 5.525 -8.516 1.00 0.00 O ATOM 834 CB SER A 56 -7.228 4.208 -10.076 1.00 0.00 C ATOM 835 OG SER A 56 -7.610 4.996 -11.200 1.00 0.00 O ATOM 0 H SER A 56 -6.618 5.053 -6.934 1.00 0.00 H new ATOM 0 HA SER A 56 -7.472 5.933 -8.842 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.148 4.060 -10.087 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.686 3.222 -10.152 1.00 0.00 H new ATOM 0 HG SER A 56 -7.980 5.849 -10.891 1.00 0.00 H new ATOM 841 N ASN A 57 -9.429 3.344 -8.197 1.00 0.00 N ATOM 842 CA ASN A 57 -10.780 2.971 -7.811 1.00 0.00 C ATOM 843 C ASN A 57 -11.704 3.093 -9.024 1.00 0.00 C ATOM 844 O ASN A 57 -11.691 4.108 -9.720 1.00 0.00 O ATOM 845 CB ASN A 57 -11.314 3.895 -6.715 1.00 0.00 C ATOM 846 CG ASN A 57 -12.505 3.260 -5.995 1.00 0.00 C ATOM 847 OD1 ASN A 57 -13.648 3.378 -6.407 1.00 0.00 O ATOM 848 ND2 ASN A 57 -12.176 2.582 -4.899 1.00 0.00 N ATOM 0 H ASN A 57 -8.766 2.570 -8.231 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.754 1.947 -7.439 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.522 4.109 -5.997 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.614 4.848 -7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.900 2.121 -4.348 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.200 2.523 -4.610 1.00 0.00 H new ATOM 855 N ARG A 58 -12.484 2.045 -9.241 1.00 0.00 N ATOM 856 CA ARG A 58 -13.434 2.034 -10.341 1.00 0.00 C ATOM 857 C ARG A 58 -14.845 1.751 -9.820 1.00 0.00 C ATOM 858 O ARG A 58 -15.718 1.332 -10.579 1.00 0.00 O ATOM 859 CB ARG A 58 -13.061 0.976 -11.381 1.00 0.00 C ATOM 860 CG ARG A 58 -11.710 1.294 -12.025 1.00 0.00 C ATOM 861 CD ARG A 58 -11.866 2.325 -13.145 1.00 0.00 C ATOM 862 NE ARG A 58 -10.537 2.688 -13.687 1.00 0.00 N ATOM 863 CZ ARG A 58 -9.673 3.507 -13.073 1.00 0.00 C ATOM 864 NH1 ARG A 58 -10.025 4.121 -11.935 1.00 0.00 N ATOM 865 NH2 ARG A 58 -8.457 3.713 -13.597 1.00 0.00 N ATOM 0 H ARG A 58 -12.478 1.197 -8.674 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.406 3.016 -10.813 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.021 -0.005 -10.909 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.832 0.928 -12.150 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.023 1.674 -11.269 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.270 0.381 -12.425 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.493 1.920 -13.939 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.368 3.214 -12.765 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.262 2.289 -14.585 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.951 3.965 -11.536 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.367 4.745 -11.467 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.189 3.246 -14.463 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.799 4.337 -13.129 1.00 0.00 H new ATOM 879 N GLU A 59 -15.024 1.991 -8.529 1.00 0.00 N ATOM 880 CA GLU A 59 -16.350 1.941 -7.936 1.00 0.00 C ATOM 881 C GLU A 59 -16.939 0.535 -8.071 1.00 0.00 C ATOM 882 O GLU A 59 -17.463 0.176 -9.124 1.00 0.00 O ATOM 883 CB GLU A 59 -17.273 2.985 -8.567 1.00 0.00 C ATOM 884 CG GLU A 59 -18.611 3.051 -7.829 1.00 0.00 C ATOM 885 CD GLU A 59 -19.481 4.187 -8.371 1.00 0.00 C ATOM 886 OE1 GLU A 59 -20.210 3.925 -9.353 1.00 0.00 O ATOM 887 OE2 GLU A 59 -19.398 5.292 -7.792 1.00 0.00 O ATOM 0 H GLU A 59 -14.273 2.220 -7.878 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.261 2.177 -6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -16.792 3.963 -8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -17.443 2.739 -9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -19.137 2.102 -7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.436 3.199 -6.763 1.00 0.00 H new ATOM 894 N GLY A 60 -16.832 -0.223 -6.989 1.00 0.00 N ATOM 895 CA GLY A 60 -17.439 -1.542 -6.936 1.00 0.00 C ATOM 896 C GLY A 60 -17.155 -2.223 -5.596 1.00 0.00 C ATOM 897 O GLY A 60 -17.917 -2.067 -4.643 1.00 0.00 O ATOM 0 H GLY A 60 -16.334 0.051 -6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -18.516 -1.457 -7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.053 -2.157 -7.749 1.00 0.00 H new ATOM 901 N ARG A 61 -16.057 -2.964 -5.565 1.00 0.00 N ATOM 902 CA ARG A 61 -15.808 -3.889 -4.473 1.00 0.00 C ATOM 903 C ARG A 61 -15.103 -3.171 -3.320 1.00 0.00 C ATOM 904 O ARG A 61 -14.965 -3.725 -2.231 1.00 0.00 O ATOM 905 CB ARG A 61 -14.948 -5.067 -4.934 1.00 0.00 C ATOM 906 CG ARG A 61 -13.615 -4.582 -5.505 1.00 0.00 C ATOM 907 CD ARG A 61 -13.661 -4.527 -7.034 1.00 0.00 C ATOM 908 NE ARG A 61 -13.656 -3.119 -7.490 1.00 0.00 N ATOM 909 CZ ARG A 61 -14.187 -2.703 -8.647 1.00 0.00 C ATOM 910 NH1 ARG A 61 -14.479 -3.590 -9.608 1.00 0.00 N ATOM 911 NH2 ARG A 61 -14.427 -1.399 -8.844 1.00 0.00 N ATOM 0 H ARG A 61 -15.329 -2.942 -6.279 1.00 0.00 H new ATOM 0 HA ARG A 61 -16.772 -4.269 -4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.766 -5.739 -4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.485 -5.640 -5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.384 -3.593 -5.109 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.814 -5.249 -5.185 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.804 -5.056 -7.451 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.556 -5.033 -7.398 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.221 -2.422 -6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.297 -4.582 -9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.883 -3.273 -10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.205 -0.723 -8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.831 -1.082 -9.725 1.00 0.00 H new ATOM 925 N LEU A 62 -14.675 -1.949 -3.600 1.00 0.00 N ATOM 926 CA LEU A 62 -14.624 -0.920 -2.575 1.00 0.00 C ATOM 927 C LEU A 62 -15.687 0.140 -2.869 1.00 0.00 C ATOM 928 O LEU A 62 -16.102 0.307 -4.015 1.00 0.00 O ATOM 929 CB LEU A 62 -13.208 -0.354 -2.454 1.00 0.00 C ATOM 930 CG LEU A 62 -12.085 -1.381 -2.294 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.728 -0.771 -2.648 1.00 0.00 C ATOM 932 CD2 LEU A 62 -12.093 -1.987 -0.889 1.00 0.00 C ATOM 0 H LEU A 62 -14.360 -1.648 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.858 -1.344 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -13.001 0.246 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.180 0.321 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.264 -2.195 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.948 -1.523 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.742 -0.428 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.525 0.073 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.285 -2.714 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.952 -1.197 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.048 -2.483 -0.712 1.00 0.00 H new ATOM 944 N PRO A 63 -16.109 0.846 -1.786 1.00 0.00 N ATOM 945 CA PRO A 63 -17.153 1.850 -1.908 1.00 0.00 C ATOM 946 C PRO A 63 -16.617 3.120 -2.572 1.00 0.00 C ATOM 947 O PRO A 63 -15.453 3.177 -2.963 1.00 0.00 O ATOM 948 CB PRO A 63 -17.641 2.083 -0.487 1.00 0.00 C ATOM 949 CG PRO A 63 -16.546 1.552 0.423 1.00 0.00 C ATOM 950 CD PRO A 63 -15.605 0.710 -0.423 1.00 0.00 C ATOM 0 HA PRO A 63 -17.974 1.529 -2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.820 3.143 -0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.583 1.565 -0.308 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.006 2.375 0.891 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.975 0.954 1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.577 1.064 -0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.609 -0.332 -0.102 1.00 0.00 H new ATOM 958 N SER A 64 -17.494 4.108 -2.678 1.00 0.00 N ATOM 959 CA SER A 64 -17.107 5.395 -3.230 1.00 0.00 C ATOM 960 C SER A 64 -17.884 6.516 -2.536 1.00 0.00 C ATOM 961 O SER A 64 -18.938 6.275 -1.950 1.00 0.00 O ATOM 962 CB SER A 64 -17.344 5.441 -4.741 1.00 0.00 C ATOM 963 OG SER A 64 -18.731 5.395 -5.065 1.00 0.00 O ATOM 0 H SER A 64 -18.471 4.043 -2.391 1.00 0.00 H new ATOM 0 HA SER A 64 -16.041 5.536 -3.053 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.906 6.352 -5.149 1.00 0.00 H new ATOM 0 HB3 SER A 64 -16.833 4.602 -5.214 1.00 0.00 H new ATOM 0 HG SER A 64 -18.945 6.119 -5.690 1.00 0.00 H new ATOM 969 N ALA A 65 -17.333 7.718 -2.626 1.00 0.00 N ATOM 970 CA ALA A 65 -18.000 8.889 -2.083 1.00 0.00 C ATOM 971 C ALA A 65 -17.412 10.148 -2.725 1.00 0.00 C ATOM 972 O ALA A 65 -16.352 10.096 -3.346 1.00 0.00 O ATOM 973 CB ALA A 65 -17.864 8.894 -0.559 1.00 0.00 C ATOM 0 H ALA A 65 -16.433 7.906 -3.067 1.00 0.00 H new ATOM 0 HA ALA A 65 -19.065 8.866 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.364 9.773 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.322 7.993 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.809 8.920 -0.288 1.00 0.00 H new ATOM 979 N SER A 66 -18.128 11.250 -2.553 1.00 0.00 N ATOM 980 CA SER A 66 -17.712 12.512 -3.142 1.00 0.00 C ATOM 981 C SER A 66 -16.358 12.935 -2.570 1.00 0.00 C ATOM 982 O SER A 66 -16.227 13.147 -1.365 1.00 0.00 O ATOM 983 CB SER A 66 -18.756 13.604 -2.899 1.00 0.00 C ATOM 984 OG SER A 66 -18.817 13.988 -1.528 1.00 0.00 O ATOM 0 H SER A 66 -18.993 11.295 -2.014 1.00 0.00 H new ATOM 0 HA SER A 66 -17.616 12.372 -4.219 1.00 0.00 H new ATOM 0 HB2 SER A 66 -18.518 14.475 -3.509 1.00 0.00 H new ATOM 0 HB3 SER A 66 -19.735 13.248 -3.220 1.00 0.00 H new ATOM 0 HG SER A 66 -18.004 13.690 -1.068 1.00 0.00 H new ATOM 990 N GLY A 67 -15.383 13.047 -3.461 1.00 0.00 N ATOM 991 CA GLY A 67 -14.086 13.584 -3.088 1.00 0.00 C ATOM 992 C GLY A 67 -13.178 12.487 -2.530 1.00 0.00 C ATOM 993 O GLY A 67 -12.090 12.770 -2.031 1.00 0.00 O ATOM 0 H GLY A 67 -15.466 12.775 -4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.615 14.043 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -14.214 14.369 -2.343 1.00 0.00 H new ATOM 997 N ARG A 68 -13.659 11.256 -2.633 1.00 0.00 N ATOM 998 CA ARG A 68 -12.919 10.118 -2.114 1.00 0.00 C ATOM 999 C ARG A 68 -11.933 9.603 -3.165 1.00 0.00 C ATOM 1000 O ARG A 68 -12.327 9.274 -4.283 1.00 0.00 O ATOM 1001 CB ARG A 68 -13.863 8.984 -1.713 1.00 0.00 C ATOM 1002 CG ARG A 68 -13.108 7.877 -0.973 1.00 0.00 C ATOM 1003 CD ARG A 68 -14.067 6.784 -0.496 1.00 0.00 C ATOM 1004 NE ARG A 68 -14.827 7.257 0.683 1.00 0.00 N ATOM 1005 CZ ARG A 68 -15.853 6.592 1.230 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -16.213 5.396 0.744 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -16.520 7.123 2.264 1.00 0.00 N ATOM 0 H ARG A 68 -14.552 11.022 -3.068 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.374 10.451 -1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.657 9.375 -1.077 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.340 8.572 -2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.355 7.443 -1.631 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -12.580 8.300 -0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.754 6.516 -1.298 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.508 5.884 -0.241 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.552 8.144 1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.706 4.992 -0.043 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.994 4.890 1.161 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.246 8.033 2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.301 6.617 2.681 1.00 0.00 H new ATOM 1021 N THR A 69 -10.669 9.550 -2.769 1.00 0.00 N ATOM 1022 CA THR A 69 -9.662 8.876 -3.570 1.00 0.00 C ATOM 1023 C THR A 69 -8.986 7.771 -2.757 1.00 0.00 C ATOM 1024 O THR A 69 -8.990 7.808 -1.527 1.00 0.00 O ATOM 1025 CB THR A 69 -8.684 9.934 -4.087 1.00 0.00 C ATOM 1026 OG1 THR A 69 -9.523 11.012 -4.494 1.00 0.00 O ATOM 1027 CG2 THR A 69 -7.982 9.501 -5.376 1.00 0.00 C ATOM 0 H THR A 69 -10.320 9.963 -1.904 1.00 0.00 H new ATOM 0 HA THR A 69 -10.109 8.377 -4.430 1.00 0.00 H new ATOM 0 HB THR A 69 -7.938 10.145 -3.321 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.971 11.743 -4.842 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.300 10.287 -5.700 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.420 8.585 -5.194 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.725 9.323 -6.153 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.420 6.812 -3.476 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.859 5.632 -2.842 1.00 0.00 C ATOM 1037 C TRP A 70 -6.364 5.587 -3.163 1.00 0.00 C ATOM 1038 O TRP A 70 -5.946 5.998 -4.244 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.603 4.369 -3.279 1.00 0.00 C ATOM 1040 CG TRP A 70 -10.055 4.304 -2.802 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.107 4.994 -3.264 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.576 3.473 -1.743 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.263 4.669 -2.584 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -11.930 3.715 -1.630 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.925 2.548 -0.909 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.748 3.072 -0.693 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.757 1.913 0.022 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -12.121 2.146 0.148 1.00 0.00 C ATOM 0 H TRP A 70 -8.338 6.829 -4.493 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.980 5.681 -1.760 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.586 4.308 -4.367 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.069 3.497 -2.903 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.056 5.714 -4.067 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.191 5.058 -2.751 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.867 2.343 -0.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.806 3.280 -0.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.307 1.192 0.688 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.695 1.614 0.892 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.600 5.084 -2.205 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.185 4.842 -2.426 1.00 0.00 C ATOM 1061 C ARG A 71 -3.772 3.506 -1.806 1.00 0.00 C ATOM 1062 O ARG A 71 -4.312 3.101 -0.778 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.334 5.961 -1.823 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.557 7.281 -2.565 1.00 0.00 C ATOM 1065 CD ARG A 71 -2.824 8.431 -1.871 1.00 0.00 C ATOM 1066 NE ARG A 71 -1.365 8.301 -2.081 1.00 0.00 N ATOM 1067 CZ ARG A 71 -0.452 9.114 -1.532 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -0.839 10.096 -0.706 1.00 0.00 N ATOM 1069 NH2 ARG A 71 0.848 8.946 -1.809 1.00 0.00 N ATOM 0 H ARG A 71 -5.934 4.837 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.018 4.814 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.584 6.085 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.280 5.687 -1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.205 7.189 -3.593 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.624 7.500 -2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.173 9.386 -2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.048 8.425 -0.804 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.034 7.546 -2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.829 10.225 -0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.144 10.715 -0.288 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.143 8.199 -2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.543 9.565 -1.391 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.816 2.858 -2.457 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.437 1.507 -2.079 1.00 0.00 C ATOM 1085 C GLU A 72 -1.049 1.506 -1.435 1.00 0.00 C ATOM 1086 O GLU A 72 -0.313 2.486 -1.537 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.482 0.567 -3.285 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.534 1.044 -4.387 1.00 0.00 C ATOM 1089 CD GLU A 72 -0.824 -0.140 -5.049 1.00 0.00 C ATOM 1090 OE1 GLU A 72 0.123 -0.658 -4.418 1.00 0.00 O ATOM 1091 OE2 GLU A 72 -1.244 -0.499 -6.170 1.00 0.00 O ATOM 0 H GLU A 72 -2.293 3.244 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.156 1.140 -1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.207 -0.441 -2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.499 0.515 -3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.094 1.603 -5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.796 1.727 -3.966 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.734 0.395 -0.785 1.00 0.00 N ATOM 1099 CA ALA A 73 0.587 0.214 -0.209 1.00 0.00 C ATOM 1100 C ALA A 73 0.823 -1.274 0.057 1.00 0.00 C ATOM 1101 O ALA A 73 -0.125 -2.028 0.269 1.00 0.00 O ATOM 1102 CB ALA A 73 0.712 1.060 1.059 1.00 0.00 C ATOM 0 H ALA A 73 -1.371 -0.389 -0.645 1.00 0.00 H new ATOM 0 HA ALA A 73 1.357 0.551 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.703 0.924 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.565 2.111 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.044 0.749 1.780 1.00 0.00 H new ATOM 1108 N ASP A 74 2.093 -1.652 0.038 1.00 0.00 N ATOM 1109 CA ASP A 74 2.468 -3.030 0.308 1.00 0.00 C ATOM 1110 C ASP A 74 2.482 -3.262 1.820 1.00 0.00 C ATOM 1111 O ASP A 74 2.656 -2.323 2.594 1.00 0.00 O ATOM 1112 CB ASP A 74 3.866 -3.336 -0.231 1.00 0.00 C ATOM 1113 CG ASP A 74 4.001 -3.270 -1.754 1.00 0.00 C ATOM 1114 OD1 ASP A 74 2.988 -2.926 -2.399 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.115 -3.566 -2.238 1.00 0.00 O ATOM 0 H ASP A 74 2.875 -1.028 -0.160 1.00 0.00 H new ATOM 0 HA ASP A 74 1.743 -3.680 -0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.572 -2.633 0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.157 -4.332 0.102 1.00 0.00 H new ATOM 1120 N ILE A 75 2.298 -4.520 2.195 1.00 0.00 N ATOM 1121 CA ILE A 75 2.364 -4.900 3.596 1.00 0.00 C ATOM 1122 C ILE A 75 3.388 -6.024 3.767 1.00 0.00 C ATOM 1123 O ILE A 75 3.780 -6.665 2.793 1.00 0.00 O ATOM 1124 CB ILE A 75 0.971 -5.252 4.121 1.00 0.00 C ATOM 1125 CG1 ILE A 75 -0.035 -4.147 3.792 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.012 -5.563 5.618 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.167 -2.934 4.702 1.00 0.00 C ATOM 0 H ILE A 75 2.103 -5.288 1.553 1.00 0.00 H new ATOM 0 HA ILE A 75 2.706 -4.062 4.203 1.00 0.00 H new ATOM 0 HB ILE A 75 0.633 -6.156 3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.076 -3.847 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.050 -4.528 3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.009 -5.810 5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.676 -6.409 5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.380 -4.692 6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.560 -2.163 4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.031 -3.232 5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.175 -2.541 4.566 1.00 0.00 H new ATOM 1139 N ASN A 76 3.792 -6.229 5.012 1.00 0.00 N ATOM 1140 CA ASN A 76 4.535 -7.425 5.371 1.00 0.00 C ATOM 1141 C ASN A 76 6.007 -7.235 5.000 1.00 0.00 C ATOM 1142 O ASN A 76 6.890 -7.413 5.838 1.00 0.00 O ATOM 1143 CB ASN A 76 4.011 -8.647 4.614 1.00 0.00 C ATOM 1144 CG ASN A 76 2.482 -8.703 4.655 1.00 0.00 C ATOM 1145 OD1 ASN A 76 1.804 -8.591 3.647 1.00 0.00 O ATOM 1146 ND2 ASN A 76 1.980 -8.881 5.873 1.00 0.00 N ATOM 0 H ASN A 76 3.619 -5.587 5.785 1.00 0.00 H new ATOM 0 HA ASN A 76 4.417 -7.587 6.442 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.350 -8.611 3.579 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.424 -9.556 5.053 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.970 -8.931 6.006 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.605 -8.967 6.675 1.00 0.00 H new ATOM 1153 N TYR A 77 6.227 -6.877 3.744 1.00 0.00 N ATOM 1154 CA TYR A 77 7.513 -6.341 3.332 1.00 0.00 C ATOM 1155 C TYR A 77 8.661 -7.198 3.868 1.00 0.00 C ATOM 1156 O TYR A 77 9.176 -6.943 4.955 1.00 0.00 O ATOM 1157 CB TYR A 77 7.605 -4.944 3.949 1.00 0.00 C ATOM 1158 CG TYR A 77 9.037 -4.440 4.139 1.00 0.00 C ATOM 1159 CD1 TYR A 77 9.951 -4.557 3.112 1.00 0.00 C ATOM 1160 CD2 TYR A 77 9.415 -3.869 5.337 1.00 0.00 C ATOM 1161 CE1 TYR A 77 11.299 -4.083 3.290 1.00 0.00 C ATOM 1162 CE2 TYR A 77 10.763 -3.395 5.516 1.00 0.00 C ATOM 1163 CZ TYR A 77 11.638 -3.525 4.483 1.00 0.00 C ATOM 1164 OH TYR A 77 12.911 -3.077 4.652 1.00 0.00 O ATOM 0 H TYR A 77 5.536 -6.948 2.997 1.00 0.00 H new ATOM 0 HA TYR A 77 7.591 -6.324 2.245 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.065 -4.242 3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.102 -4.951 4.916 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.655 -5.004 2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 77 8.700 -3.778 6.141 1.00 0.00 H new ATOM 0 HE1 TYR A 77 12.024 -4.169 2.494 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.072 -2.947 6.449 1.00 0.00 H new ATOM 0 HH TYR A 77 13.009 -2.702 5.552 1.00 0.00 H new ATOM 1174 N VAL A 78 9.028 -8.198 3.079 1.00 0.00 N ATOM 1175 CA VAL A 78 10.144 -9.059 3.433 1.00 0.00 C ATOM 1176 C VAL A 78 11.299 -8.815 2.460 1.00 0.00 C ATOM 1177 O VAL A 78 12.337 -8.279 2.845 1.00 0.00 O ATOM 1178 CB VAL A 78 9.688 -10.519 3.466 1.00 0.00 C ATOM 1179 CG1 VAL A 78 10.816 -11.435 3.943 1.00 0.00 C ATOM 1180 CG2 VAL A 78 8.441 -10.685 4.337 1.00 0.00 C ATOM 0 H VAL A 78 8.573 -8.431 2.197 1.00 0.00 H new ATOM 0 HA VAL A 78 10.507 -8.823 4.433 1.00 0.00 H new ATOM 0 HB VAL A 78 9.427 -10.811 2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.465 -12.467 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.665 -11.350 3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.122 -11.142 4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.138 -11.732 4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.663 -10.366 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.632 -10.076 3.934 1.00 0.00 H new ATOM 1190 N SER A 79 11.080 -9.221 1.218 1.00 0.00 N ATOM 1191 CA SER A 79 12.137 -9.185 0.221 1.00 0.00 C ATOM 1192 C SER A 79 11.573 -9.550 -1.153 1.00 0.00 C ATOM 1193 O SER A 79 10.397 -9.886 -1.276 1.00 0.00 O ATOM 1194 CB SER A 79 13.279 -10.131 0.596 1.00 0.00 C ATOM 1195 OG SER A 79 12.895 -11.499 0.490 1.00 0.00 O ATOM 0 H SER A 79 10.186 -9.577 0.879 1.00 0.00 H new ATOM 0 HA SER A 79 12.538 -8.172 0.183 1.00 0.00 H new ATOM 0 HB2 SER A 79 14.134 -9.943 -0.054 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.602 -9.923 1.616 1.00 0.00 H new ATOM 0 HG SER A 79 13.652 -12.071 0.736 1.00 0.00 H new ATOM 1201 N GLY A 80 12.440 -9.473 -2.153 1.00 0.00 N ATOM 1202 CA GLY A 80 12.209 -10.182 -3.400 1.00 0.00 C ATOM 1203 C GLY A 80 11.403 -9.324 -4.377 1.00 0.00 C ATOM 1204 O GLY A 80 11.366 -8.101 -4.251 1.00 0.00 O ATOM 0 H GLY A 80 13.303 -8.930 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.164 -10.453 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.675 -11.111 -3.201 1.00 0.00 H new ATOM 1208 N PHE A 81 10.777 -10.000 -5.330 1.00 0.00 N ATOM 1209 CA PHE A 81 9.968 -9.316 -6.324 1.00 0.00 C ATOM 1210 C PHE A 81 8.675 -8.781 -5.705 1.00 0.00 C ATOM 1211 O PHE A 81 8.458 -8.911 -4.501 1.00 0.00 O ATOM 1212 CB PHE A 81 9.617 -10.345 -7.400 1.00 0.00 C ATOM 1213 CG PHE A 81 10.819 -10.829 -8.214 1.00 0.00 C ATOM 1214 CD1 PHE A 81 11.300 -10.070 -9.234 1.00 0.00 C ATOM 1215 CD2 PHE A 81 11.406 -12.020 -7.916 1.00 0.00 C ATOM 1216 CE1 PHE A 81 12.416 -10.519 -9.989 1.00 0.00 C ATOM 1217 CE2 PHE A 81 12.522 -12.469 -8.671 1.00 0.00 C ATOM 1218 CZ PHE A 81 13.003 -11.709 -9.691 1.00 0.00 C ATOM 0 H PHE A 81 10.814 -11.014 -5.434 1.00 0.00 H new ATOM 0 HA PHE A 81 10.519 -8.470 -6.735 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.143 -11.204 -6.926 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.883 -9.910 -8.078 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.833 -9.125 -9.470 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.024 -12.623 -7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 81 12.798 -9.916 -10.799 1.00 0.00 H new ATOM 0 HE2 PHE A 81 12.989 -13.414 -8.435 1.00 0.00 H new ATOM 0 HZ PHE A 81 13.852 -12.051 -10.265 1.00 0.00 H new ATOM 1228 N ARG A 82 7.848 -8.192 -6.557 1.00 0.00 N ATOM 1229 CA ARG A 82 6.573 -7.655 -6.112 1.00 0.00 C ATOM 1230 C ARG A 82 5.854 -8.667 -5.218 1.00 0.00 C ATOM 1231 O ARG A 82 5.853 -9.863 -5.505 1.00 0.00 O ATOM 1232 CB ARG A 82 5.677 -7.309 -7.303 1.00 0.00 C ATOM 1233 CG ARG A 82 6.057 -5.953 -7.900 1.00 0.00 C ATOM 1234 CD ARG A 82 5.763 -4.818 -6.916 1.00 0.00 C ATOM 1235 NE ARG A 82 4.513 -5.102 -6.175 1.00 0.00 N ATOM 1236 CZ ARG A 82 3.302 -5.168 -6.743 1.00 0.00 C ATOM 1237 NH1 ARG A 82 3.101 -4.639 -7.958 1.00 0.00 N ATOM 1238 NH2 ARG A 82 2.290 -5.763 -6.096 1.00 0.00 N ATOM 0 H ARG A 82 8.036 -8.075 -7.553 1.00 0.00 H new ATOM 0 HA ARG A 82 6.775 -6.745 -5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.764 -8.083 -8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.635 -7.291 -6.985 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.116 -5.950 -8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.503 -5.790 -8.824 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.592 -4.707 -6.218 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.671 -3.874 -7.454 1.00 0.00 H new ATOM 0 HE ARG A 82 4.578 -5.257 -5.169 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.871 -4.186 -8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.178 -4.690 -8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.442 -6.165 -5.171 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.368 -5.813 -6.528 1.00 0.00 H new ATOM 1252 N ASN A 83 5.260 -8.150 -4.152 1.00 0.00 N ATOM 1253 CA ASN A 83 4.466 -8.979 -3.262 1.00 0.00 C ATOM 1254 C ASN A 83 2.984 -8.808 -3.599 1.00 0.00 C ATOM 1255 O ASN A 83 2.568 -7.748 -4.064 1.00 0.00 O ATOM 1256 CB ASN A 83 4.669 -8.571 -1.801 1.00 0.00 C ATOM 1257 CG ASN A 83 4.482 -7.063 -1.623 1.00 0.00 C ATOM 1258 OD1 ASN A 83 3.391 -6.570 -1.389 1.00 0.00 O ATOM 1259 ND2 ASN A 83 5.605 -6.360 -1.745 1.00 0.00 N ATOM 0 H ASN A 83 5.313 -7.167 -3.885 1.00 0.00 H new ATOM 0 HA ASN A 83 4.782 -10.014 -3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.961 -9.106 -1.168 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.669 -8.858 -1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.585 -5.345 -1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 83 6.486 -6.836 -1.941 1.00 0.00 H new ATOM 1266 N ALA A 84 2.227 -9.867 -3.352 1.00 0.00 N ATOM 1267 CA ALA A 84 0.805 -9.855 -3.647 1.00 0.00 C ATOM 1268 C ALA A 84 0.059 -9.143 -2.517 1.00 0.00 C ATOM 1269 O ALA A 84 -0.947 -8.477 -2.755 1.00 0.00 O ATOM 1270 CB ALA A 84 0.315 -11.290 -3.855 1.00 0.00 C ATOM 0 H ALA A 84 2.572 -10.739 -2.951 1.00 0.00 H new ATOM 0 HA ALA A 84 0.609 -9.306 -4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.752 -11.282 -4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.855 -11.742 -4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.493 -11.870 -2.950 1.00 0.00 H new ATOM 1276 N ASP A 85 0.581 -9.308 -1.310 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.140 -8.893 -0.119 1.00 0.00 C ATOM 1278 C ASP A 85 -0.075 -7.370 0.006 1.00 0.00 C ATOM 1279 O ASP A 85 1.009 -6.797 0.111 1.00 0.00 O ATOM 1280 CB ASP A 85 0.482 -9.498 1.140 1.00 0.00 C ATOM 1281 CG ASP A 85 0.392 -11.022 1.238 1.00 0.00 C ATOM 1282 OD1 ASP A 85 1.158 -11.684 0.505 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.440 -11.491 2.044 1.00 0.00 O ATOM 0 H ASP A 85 1.495 -9.724 -1.132 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.171 -9.236 -0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.532 -9.208 1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.006 -9.064 2.013 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.249 -6.756 -0.009 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.338 -5.313 -0.156 1.00 0.00 C ATOM 1290 C ARG A 86 -2.531 -4.771 0.634 1.00 0.00 C ATOM 1291 O ARG A 86 -3.371 -5.539 1.101 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.487 -4.918 -1.626 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.141 -4.499 -2.220 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.236 -4.344 -3.740 1.00 0.00 C ATOM 1295 NE ARG A 86 0.966 -3.652 -4.255 1.00 0.00 N ATOM 1296 CZ ARG A 86 1.043 -3.079 -5.463 1.00 0.00 C ATOM 1297 NH1 ARG A 86 0.064 -3.268 -6.358 1.00 0.00 N ATOM 1298 NH2 ARG A 86 2.100 -2.316 -5.777 1.00 0.00 N ATOM 0 H ARG A 86 -2.147 -7.232 0.078 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.415 -4.883 0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.893 -5.756 -2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.199 -4.098 -1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.180 -3.557 -1.774 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.617 -5.243 -1.973 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.330 -5.324 -4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.131 -3.779 -4.001 1.00 0.00 H new ATOM 0 HE ARG A 86 1.788 -3.609 -3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.740 -3.848 -6.119 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.123 -2.831 -7.278 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.845 -2.172 -5.096 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.159 -1.880 -6.697 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.566 -3.453 0.761 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.617 -2.802 1.524 1.00 0.00 C ATOM 1314 C LEU A 87 -3.965 -1.464 0.869 1.00 0.00 C ATOM 1315 O LEU A 87 -3.077 -0.730 0.440 1.00 0.00 O ATOM 1316 CB LEU A 87 -3.214 -2.680 2.995 1.00 0.00 C ATOM 1317 CG LEU A 87 -4.109 -1.796 3.865 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -4.292 -2.402 5.258 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.572 -0.365 3.929 1.00 0.00 C ATOM 0 H LEU A 87 -1.883 -2.818 0.348 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.524 -3.407 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.192 -3.680 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.197 -2.290 3.041 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.095 -1.749 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.932 -1.753 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.753 -3.386 5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.321 -2.499 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.227 0.242 4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.569 -0.372 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.537 0.056 2.924 1.00 0.00 H new ATOM 1331 N VAL A 88 -5.260 -1.189 0.811 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.736 0.048 0.215 1.00 0.00 C ATOM 1333 C VAL A 88 -6.517 0.846 1.261 1.00 0.00 C ATOM 1334 O VAL A 88 -7.323 0.284 2.000 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.557 -0.258 -1.039 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.611 0.956 -1.969 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -6.006 -1.485 -1.770 1.00 0.00 C ATOM 0 H VAL A 88 -5.994 -1.801 1.167 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.897 0.666 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.576 -0.485 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.201 0.712 -2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.071 1.795 -1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.600 1.228 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.608 -1.680 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.973 -1.299 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.044 -2.350 -1.108 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.249 2.143 1.290 1.00 0.00 N ATOM 1348 CA TYR A 89 -6.956 3.033 2.195 1.00 0.00 C ATOM 1349 C TYR A 89 -7.499 4.254 1.451 1.00 0.00 C ATOM 1350 O TYR A 89 -6.865 4.753 0.523 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.923 3.496 3.224 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.714 4.208 2.615 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -4.744 5.574 2.420 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -3.593 3.485 2.260 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -3.606 6.245 1.846 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -2.455 4.156 1.686 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.518 5.503 1.507 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.443 6.136 0.965 1.00 0.00 O ATOM 0 H TYR A 89 -5.552 2.599 0.701 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.802 2.521 2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.407 4.167 3.933 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.576 2.631 3.789 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.621 6.140 2.698 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.569 2.416 2.413 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.617 7.313 1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.572 3.602 1.404 1.00 0.00 H new ATOM 0 HH TYR A 89 -0.740 5.481 0.774 1.00 0.00 H new ATOM 1368 N SER A 90 -8.668 4.701 1.886 1.00 0.00 N ATOM 1369 CA SER A 90 -9.346 5.799 1.217 1.00 0.00 C ATOM 1370 C SER A 90 -8.910 7.132 1.827 1.00 0.00 C ATOM 1371 O SER A 90 -8.144 7.158 2.789 1.00 0.00 O ATOM 1372 CB SER A 90 -10.865 5.645 1.308 1.00 0.00 C ATOM 1373 OG SER A 90 -11.355 5.946 2.612 1.00 0.00 O ATOM 0 H SER A 90 -9.163 4.323 2.694 1.00 0.00 H new ATOM 0 HA SER A 90 -9.069 5.781 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.340 6.304 0.581 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.142 4.625 1.043 1.00 0.00 H new ATOM 0 HG SER A 90 -12.139 6.530 2.540 1.00 0.00 H new ATOM 1379 N SER A 91 -9.416 8.208 1.242 1.00 0.00 N ATOM 1380 CA SER A 91 -9.053 9.543 1.687 1.00 0.00 C ATOM 1381 C SER A 91 -9.575 9.782 3.105 1.00 0.00 C ATOM 1382 O SER A 91 -8.901 10.407 3.922 1.00 0.00 O ATOM 1383 CB SER A 91 -9.598 10.608 0.734 1.00 0.00 C ATOM 1384 OG SER A 91 -9.184 10.384 -0.611 1.00 0.00 O ATOM 0 H SER A 91 -10.075 8.182 0.463 1.00 0.00 H new ATOM 0 HA SER A 91 -7.966 9.619 1.690 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.687 10.614 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.259 11.592 1.058 1.00 0.00 H new ATOM 0 HG SER A 91 -9.053 9.424 -0.757 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.772 9.271 3.355 1.00 0.00 N ATOM 1391 CA ASP A 92 -11.403 9.441 4.653 1.00 0.00 C ATOM 1392 C ASP A 92 -11.136 8.203 5.511 1.00 0.00 C ATOM 1393 O ASP A 92 -11.781 8.005 6.539 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.918 9.602 4.513 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.606 8.529 3.666 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -13.233 7.348 3.834 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -14.489 8.914 2.870 1.00 0.00 O ATOM 0 H ASP A 92 -11.322 8.739 2.680 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.987 10.336 5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.362 9.598 5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.126 10.578 4.075 1.00 0.00 H new ATOM 1402 N TRP A 93 -10.184 7.401 5.056 1.00 0.00 N ATOM 1403 CA TRP A 93 -9.586 6.389 5.911 1.00 0.00 C ATOM 1404 C TRP A 93 -10.637 5.308 6.170 1.00 0.00 C ATOM 1405 O TRP A 93 -10.904 4.959 7.319 1.00 0.00 O ATOM 1406 CB TRP A 93 -9.040 7.012 7.197 1.00 0.00 C ATOM 1407 CG TRP A 93 -8.367 8.371 6.994 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -8.743 9.559 7.487 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -7.179 8.635 6.219 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -7.887 10.566 7.088 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.906 9.986 6.292 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -6.362 7.762 5.480 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.815 10.584 5.649 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -5.276 8.374 4.844 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.987 9.733 4.908 1.00 0.00 C ATOM 0 H TRP A 93 -9.812 7.431 4.107 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.727 5.929 5.422 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -9.858 7.126 7.909 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -8.321 6.325 7.644 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -9.607 9.710 8.117 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -7.961 11.554 7.332 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.557 6.702 5.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -5.623 11.644 5.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -4.616 7.747 4.263 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -4.127 10.130 4.388 1.00 0.00 H new ATOM 1426 N LEU A 94 -11.205 4.807 5.083 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.833 3.497 5.102 1.00 0.00 C ATOM 1428 C LEU A 94 -10.898 2.478 4.450 1.00 0.00 C ATOM 1429 O LEU A 94 -10.503 2.641 3.296 1.00 0.00 O ATOM 1430 CB LEU A 94 -13.220 3.559 4.459 1.00 0.00 C ATOM 1431 CG LEU A 94 -14.355 4.051 5.359 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -15.487 4.660 4.529 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.854 2.932 6.275 1.00 0.00 C ATOM 0 H LEU A 94 -11.243 5.285 4.183 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.997 3.168 6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.166 4.211 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.476 2.563 4.097 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.964 4.841 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -16.281 5.002 5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -15.104 5.504 3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.883 3.908 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -15.661 3.309 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -15.223 2.104 5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -14.035 2.585 6.905 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.570 1.447 5.216 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.377 0.664 4.946 1.00 0.00 C ATOM 1447 C ILE A 95 -9.778 -0.782 4.646 1.00 0.00 C ATOM 1448 O ILE A 95 -10.669 -1.330 5.293 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.377 0.797 6.097 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -8.278 2.248 6.571 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -7.012 0.228 5.705 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -7.224 2.395 7.671 1.00 0.00 C ATOM 0 H ILE A 95 -11.110 1.136 6.023 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.865 1.044 4.062 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.742 0.207 6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -8.023 2.893 5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.247 2.579 6.944 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.320 0.335 6.540 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.116 -0.827 5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.626 0.771 4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.174 3.436 7.990 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.495 1.768 8.520 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.252 2.086 7.287 1.00 0.00 H new ATOM 1464 N TYR A 96 -9.102 -1.358 3.662 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.325 -2.751 3.317 1.00 0.00 C ATOM 1466 C TYR A 96 -8.013 -3.437 2.930 1.00 0.00 C ATOM 1467 O TYR A 96 -7.173 -2.842 2.257 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.258 -2.741 2.104 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.697 -2.333 2.430 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -12.033 -0.998 2.518 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.659 -3.301 2.635 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.386 -0.614 2.824 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -14.012 -2.918 2.941 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.310 -1.593 3.020 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.588 -1.231 3.309 1.00 0.00 O ATOM 0 H TYR A 96 -8.400 -0.885 3.093 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.746 -3.293 4.164 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.858 -2.057 1.356 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.265 -3.735 1.656 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.280 -0.240 2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.396 -4.346 2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.661 0.428 2.896 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.774 -3.666 3.104 1.00 0.00 H new ATOM 0 HH TYR A 96 -16.138 -2.034 3.422 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.879 -4.679 3.372 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.678 -5.447 3.093 1.00 0.00 C ATOM 1487 C LYS A 97 -6.968 -6.452 1.977 1.00 0.00 C ATOM 1488 O LYS A 97 -8.127 -6.733 1.675 1.00 0.00 O ATOM 1489 CB LYS A 97 -6.141 -6.087 4.375 1.00 0.00 C ATOM 1490 CG LYS A 97 -7.030 -7.251 4.819 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.353 -8.595 4.543 1.00 0.00 C ATOM 1492 CE LYS A 97 -7.343 -9.751 4.703 1.00 0.00 C ATOM 1493 NZ LYS A 97 -7.815 -9.838 6.102 1.00 0.00 N ATOM 0 H LYS A 97 -8.583 -5.172 3.921 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.883 -4.794 2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.124 -6.443 4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.092 -5.339 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.248 -7.161 5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.984 -7.206 4.293 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.944 -8.599 3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.515 -8.732 5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.192 -9.606 4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.867 -10.688 4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.363 -10.713 6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.997 -9.845 6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.417 -9.018 6.317 1.00 0.00 H new ATOM 1507 N THR A 98 -5.895 -6.968 1.396 1.00 0.00 N ATOM 1508 CA THR A 98 -6.015 -8.036 0.417 1.00 0.00 C ATOM 1509 C THR A 98 -4.733 -8.871 0.379 1.00 0.00 C ATOM 1510 O THR A 98 -3.634 -8.324 0.300 1.00 0.00 O ATOM 1511 CB THR A 98 -6.369 -7.404 -0.931 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.203 -8.465 -1.866 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.346 -6.355 -1.372 1.00 0.00 C ATOM 0 H THR A 98 -4.939 -6.667 1.584 1.00 0.00 H new ATOM 0 HA THR A 98 -6.811 -8.731 0.685 1.00 0.00 H new ATOM 0 HB THR A 98 -7.356 -6.945 -0.869 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.070 -8.889 -2.036 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.644 -5.938 -2.334 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.299 -5.558 -0.630 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.365 -6.821 -1.467 1.00 0.00 H new ATOM 1521 N THR A 99 -4.917 -10.181 0.436 1.00 0.00 N ATOM 1522 CA THR A 99 -3.800 -11.101 0.303 1.00 0.00 C ATOM 1523 C THR A 99 -3.667 -11.571 -1.147 1.00 0.00 C ATOM 1524 O THR A 99 -2.678 -12.207 -1.509 1.00 0.00 O ATOM 1525 CB THR A 99 -4.008 -12.245 1.296 1.00 0.00 C ATOM 1526 OG1 THR A 99 -5.366 -12.631 1.102 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.959 -11.775 2.751 1.00 0.00 C ATOM 0 H THR A 99 -5.824 -10.628 0.573 1.00 0.00 H new ATOM 0 HA THR A 99 -2.855 -10.613 0.542 1.00 0.00 H new ATOM 0 HB THR A 99 -3.246 -13.007 1.135 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.585 -13.371 1.706 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.112 -12.627 3.414 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.987 -11.326 2.956 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.743 -11.037 2.921 1.00 0.00 H new ATOM 1535 N ASP A 100 -4.676 -11.238 -1.939 1.00 0.00 N ATOM 1536 CA ASP A 100 -4.869 -11.894 -3.221 1.00 0.00 C ATOM 1537 C ASP A 100 -4.684 -10.872 -4.344 1.00 0.00 C ATOM 1538 O ASP A 100 -4.921 -11.178 -5.512 1.00 0.00 O ATOM 1539 CB ASP A 100 -6.280 -12.474 -3.337 1.00 0.00 C ATOM 1540 CG ASP A 100 -7.386 -11.611 -2.726 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -7.535 -10.463 -3.196 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.057 -12.120 -1.802 1.00 0.00 O ATOM 0 H ASP A 100 -5.368 -10.522 -1.717 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.141 -12.701 -3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -6.505 -12.634 -4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.295 -13.452 -2.856 1.00 0.00 H new ATOM 1547 N HIS A 101 -4.263 -9.678 -3.952 1.00 0.00 N ATOM 1548 CA HIS A 101 -4.007 -8.621 -4.915 1.00 0.00 C ATOM 1549 C HIS A 101 -5.282 -8.329 -5.707 1.00 0.00 C ATOM 1550 O HIS A 101 -5.387 -8.691 -6.878 1.00 0.00 O ATOM 1551 CB HIS A 101 -2.820 -8.979 -5.812 1.00 0.00 C ATOM 1552 CG HIS A 101 -2.205 -7.795 -6.519 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -2.796 -7.183 -7.610 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -1.047 -7.116 -6.278 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -2.020 -6.184 -8.001 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -0.936 -6.144 -7.174 1.00 0.00 N ATOM 0 H HIS A 101 -4.093 -9.420 -2.980 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.729 -7.706 -4.391 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.055 -9.466 -5.207 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.147 -9.704 -6.557 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -3.680 -7.455 -8.040 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -0.340 -7.333 -5.491 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.212 -5.518 -8.829 1.00 0.00 H new ATOM 1564 N TYR A 102 -6.221 -7.676 -5.037 1.00 0.00 N ATOM 1565 CA TYR A 102 -7.383 -7.131 -5.716 1.00 0.00 C ATOM 1566 C TYR A 102 -8.158 -8.230 -6.446 1.00 0.00 C ATOM 1567 O TYR A 102 -8.526 -8.068 -7.608 1.00 0.00 O ATOM 1568 CB TYR A 102 -6.843 -6.135 -6.745 1.00 0.00 C ATOM 1569 CG TYR A 102 -5.810 -5.157 -6.181 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -5.864 -4.787 -4.853 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -4.826 -4.644 -7.001 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -4.892 -3.866 -4.322 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -3.854 -3.724 -6.471 1.00 0.00 C ATOM 1574 CZ TYR A 102 -3.935 -3.380 -5.158 1.00 0.00 C ATOM 1575 OH TYR A 102 -3.018 -2.510 -4.656 1.00 0.00 O ATOM 0 H TYR A 102 -6.200 -7.513 -4.030 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.062 -6.666 -5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.393 -6.688 -7.569 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.677 -5.568 -7.159 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.635 -5.188 -4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.785 -4.933 -8.041 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.922 -3.568 -3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.078 -3.316 -7.102 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.563 -2.053 -5.394 1.00 0.00 H new ATOM 1585 N ALA A 103 -8.382 -9.324 -5.734 1.00 0.00 N ATOM 1586 CA ALA A 103 -9.467 -10.229 -6.072 1.00 0.00 C ATOM 1587 C ALA A 103 -10.655 -9.963 -5.145 1.00 0.00 C ATOM 1588 O ALA A 103 -11.780 -9.784 -5.607 1.00 0.00 O ATOM 1589 CB ALA A 103 -8.973 -11.674 -5.988 1.00 0.00 C ATOM 0 H ALA A 103 -7.830 -9.605 -4.923 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.803 -10.060 -7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.788 -12.352 -6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.150 -11.818 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.629 -11.883 -4.975 1.00 0.00 H new ATOM 1595 N THR A 104 -10.363 -9.946 -3.852 1.00 0.00 N ATOM 1596 CA THR A 104 -11.365 -9.589 -2.863 1.00 0.00 C ATOM 1597 C THR A 104 -10.782 -8.612 -1.841 1.00 0.00 C ATOM 1598 O THR A 104 -9.588 -8.316 -1.871 1.00 0.00 O ATOM 1599 CB THR A 104 -11.892 -10.881 -2.237 1.00 0.00 C ATOM 1600 OG1 THR A 104 -10.720 -11.547 -1.775 1.00 0.00 O ATOM 1601 CG2 THR A 104 -12.480 -11.839 -3.275 1.00 0.00 C ATOM 0 H THR A 104 -9.446 -10.174 -3.467 1.00 0.00 H new ATOM 0 HA THR A 104 -12.205 -9.067 -3.322 1.00 0.00 H new ATOM 0 HB THR A 104 -12.653 -10.639 -1.495 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.971 -12.395 -1.353 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.839 -12.739 -2.777 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.309 -11.354 -3.789 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.711 -12.107 -3.999 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.650 -8.138 -0.960 1.00 0.00 N ATOM 1610 CA PHE A 105 -11.227 -7.235 0.097 1.00 0.00 C ATOM 1611 C PHE A 105 -11.934 -7.563 1.414 1.00 0.00 C ATOM 1612 O PHE A 105 -13.039 -8.103 1.412 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.618 -5.822 -0.340 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.716 -5.234 -1.426 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -9.425 -4.915 -1.140 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -11.204 -5.030 -2.679 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -8.588 -4.370 -2.148 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -10.367 -4.485 -3.688 1.00 0.00 C ATOM 1619 CZ PHE A 105 -9.076 -4.166 -3.401 1.00 0.00 C ATOM 0 H PHE A 105 -12.645 -8.362 -0.956 1.00 0.00 H new ATOM 0 HA PHE A 105 -10.153 -7.329 0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.645 -5.837 -0.704 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.598 -5.165 0.530 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.037 -5.077 -0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -12.229 -5.283 -2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.563 -4.117 -1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -10.755 -4.324 -4.683 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.439 -3.751 -4.168 1.00 0.00 H new ATOM 1629 N THR A 106 -11.267 -7.223 2.507 1.00 0.00 N ATOM 1630 CA THR A 106 -11.911 -7.229 3.809 1.00 0.00 C ATOM 1631 C THR A 106 -11.405 -6.063 4.660 1.00 0.00 C ATOM 1632 O THR A 106 -10.201 -5.829 4.747 1.00 0.00 O ATOM 1633 CB THR A 106 -11.669 -8.598 4.449 1.00 0.00 C ATOM 1634 OG1 THR A 106 -12.157 -9.524 3.483 1.00 0.00 O ATOM 1635 CG2 THR A 106 -12.555 -8.836 5.674 1.00 0.00 C ATOM 0 H THR A 106 -10.287 -6.941 2.517 1.00 0.00 H new ATOM 0 HA THR A 106 -12.987 -7.081 3.719 1.00 0.00 H new ATOM 0 HB THR A 106 -10.621 -8.684 4.736 1.00 0.00 H new ATOM 0 HG1 THR A 106 -12.815 -9.080 2.908 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.344 -9.821 6.090 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.350 -8.073 6.425 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.603 -8.783 5.381 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.351 -5.361 5.267 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.020 -4.195 6.068 1.00 0.00 C ATOM 1645 C ARG A 107 -11.288 -4.616 7.343 1.00 0.00 C ATOM 1646 O ARG A 107 -11.610 -5.644 7.937 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.279 -3.411 6.446 1.00 0.00 C ATOM 1648 CG ARG A 107 -14.079 -4.146 7.523 1.00 0.00 C ATOM 1649 CD ARG A 107 -15.439 -3.481 7.746 1.00 0.00 C ATOM 1650 NE ARG A 107 -15.252 -2.114 8.283 1.00 0.00 N ATOM 1651 CZ ARG A 107 -16.217 -1.186 8.326 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -17.478 -1.515 8.014 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -15.921 0.072 8.682 1.00 0.00 N ATOM 0 H ARG A 107 -13.347 -5.578 5.220 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.373 -3.555 5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -13.001 -2.421 6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -13.900 -3.265 5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -14.223 -5.186 7.228 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -13.517 -4.154 8.457 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.991 -3.439 6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -16.034 -4.075 8.440 1.00 0.00 H new ATOM 0 HE ARG A 107 -14.331 -1.863 8.643 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.703 -2.472 7.744 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.213 -0.808 8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -14.961 0.322 8.920 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -16.656 0.779 8.715 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.316 -3.801 7.727 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.718 -3.918 9.046 1.00 0.00 C ATOM 1669 C ILE A 108 -10.073 -2.681 9.873 1.00 0.00 C ATOM 1670 O ILE A 108 -10.035 -2.720 11.102 1.00 0.00 O ATOM 1671 CB ILE A 108 -8.214 -4.171 8.931 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.416 -2.946 9.383 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -7.838 -4.609 7.514 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.405 -1.868 8.297 1.00 0.00 C ATOM 0 H ILE A 108 -9.928 -3.057 7.147 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.123 -4.781 9.574 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.953 -4.990 9.601 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.850 -2.542 10.297 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.393 -3.240 9.619 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.763 -4.782 7.460 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.367 -5.529 7.265 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.116 -3.828 6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.831 -1.008 8.643 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -6.948 -2.268 7.392 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.428 -1.559 8.081 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.409 -1.612 9.167 1.00 0.00 N ATOM 1687 CA ARG A 109 -10.926 -0.419 9.814 1.00 0.00 C ATOM 1688 C ARG A 109 -12.076 0.173 8.997 1.00 0.00 C ATOM 1689 O ARG A 109 -13.205 0.186 9.533 1.00 0.00 O ATOM 1690 CB ARG A 109 -9.831 0.637 9.980 1.00 0.00 C ATOM 1691 CG ARG A 109 -10.230 1.682 11.024 1.00 0.00 C ATOM 1692 CD ARG A 109 -9.210 2.821 11.077 1.00 0.00 C ATOM 1693 NE ARG A 109 -8.805 3.073 12.478 1.00 0.00 N ATOM 1694 CZ ARG A 109 -7.702 2.564 13.044 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -7.053 1.550 12.455 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -7.248 3.069 14.199 1.00 0.00 N ATOM 0 H ARG A 109 -10.333 -1.547 8.152 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.288 -0.708 10.800 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.900 0.156 10.279 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.644 1.126 9.024 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.215 2.082 10.785 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.306 1.211 12.004 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -8.336 2.566 10.477 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -9.640 3.725 10.646 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.403 3.671 13.048 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.399 1.166 11.576 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -6.214 1.163 12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.742 3.841 14.647 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -6.409 2.682 14.630 1.00 0.00 H new TER 1710 ARG A 109