USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 522 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 9 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.22) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -136:sc= -1.44 (180deg=-4.84!) USER MOD Single : A 16 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.67) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 37 THR OG1 : rot -33:sc= 0.662 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -122:sc= 0.945 USER MOD Single : A 51 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.8!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -47:sc= 0.372 USER MOD Single : A 65 MET CE :methyl -114:sc= -1.01 (180deg=-5.75!) USER MOD Single : A 67 MET CE :methyl -153:sc= -0.0522 (180deg=-1.05) USER MOD Single : A 70 ASN : amide:sc= 0.109 X(o=0.11,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 100 TYR OH : rot 100:sc= 0.125 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.161 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -8.078 -0.639 9.184 1.00 0.00 N ATOM 67 CA LEU A 8 -7.059 -0.473 8.161 1.00 0.00 C ATOM 68 C LEU A 8 -5.777 0.057 8.806 1.00 0.00 C ATOM 69 O LEU A 8 -4.676 -0.249 8.350 1.00 0.00 O ATOM 70 CB LEU A 8 -7.582 0.404 7.022 1.00 0.00 C ATOM 71 CG LEU A 8 -8.651 -0.227 6.127 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.234 0.805 5.159 1.00 0.00 C ATOM 73 CD2 LEU A 8 -8.100 -1.452 5.395 1.00 0.00 C ATOM 0 HA LEU A 8 -6.815 -1.433 7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.990 1.319 7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.738 0.695 6.397 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.468 -0.572 6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.991 0.331 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.688 1.619 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.439 1.201 4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.880 -1.881 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.255 -1.155 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.772 -2.194 6.123 1.00 0.00 H new ATOM 85 N HIS A 9 -5.962 0.843 9.857 1.00 0.00 N ATOM 86 CA HIS A 9 -4.833 1.419 10.568 1.00 0.00 C ATOM 87 C HIS A 9 -3.866 0.307 10.981 1.00 0.00 C ATOM 88 O HIS A 9 -2.653 0.449 10.833 1.00 0.00 O ATOM 89 CB HIS A 9 -5.311 2.259 11.754 1.00 0.00 C ATOM 90 CG HIS A 9 -4.661 3.620 11.844 1.00 0.00 C ATOM 91 ND1 HIS A 9 -5.118 4.614 12.690 1.00 0.00 N ATOM 92 CD2 HIS A 9 -3.585 4.139 11.185 1.00 0.00 C ATOM 93 CE1 HIS A 9 -4.346 5.680 12.539 1.00 0.00 C ATOM 94 NE2 HIS A 9 -3.397 5.383 11.606 1.00 0.00 N ATOM 0 H HIS A 9 -6.876 1.094 10.233 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.291 2.098 9.910 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.391 2.387 11.683 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.115 1.712 12.676 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -2.988 3.625 10.446 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -4.450 6.619 13.063 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.663 6.014 11.284 1.00 0.00 H new ATOM 102 N ARG A 10 -4.439 -0.773 11.489 1.00 0.00 N ATOM 103 CA ARG A 10 -3.642 -1.908 11.924 1.00 0.00 C ATOM 104 C ARG A 10 -2.951 -2.562 10.726 1.00 0.00 C ATOM 105 O ARG A 10 -1.928 -3.226 10.881 1.00 0.00 O ATOM 106 CB ARG A 10 -4.509 -2.950 12.635 1.00 0.00 C ATOM 107 CG ARG A 10 -5.290 -3.794 11.625 1.00 0.00 C ATOM 108 CD ARG A 10 -4.670 -5.185 11.477 1.00 0.00 C ATOM 109 NE ARG A 10 -5.673 -6.223 11.805 1.00 0.00 N ATOM 110 CZ ARG A 10 -6.038 -6.547 13.053 1.00 0.00 C ATOM 111 NH1 ARG A 10 -5.485 -5.916 14.098 1.00 0.00 N ATOM 112 NH2 ARG A 10 -6.955 -7.502 13.256 1.00 0.00 N ATOM 0 H ARG A 10 -5.445 -0.887 11.609 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.892 -1.538 12.623 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.879 -3.597 13.245 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.203 -2.451 13.311 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.327 -3.887 11.948 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.301 -3.292 10.658 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.309 -5.325 10.458 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.807 -5.280 12.136 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.114 -6.723 11.033 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.786 -5.189 13.943 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.763 -6.163 15.048 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.375 -7.983 12.461 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.233 -7.749 14.206 1.00 0.00 H new ATOM 126 N ILE A 11 -3.539 -2.351 9.557 1.00 0.00 N ATOM 127 CA ILE A 11 -2.992 -2.911 8.333 1.00 0.00 C ATOM 128 C ILE A 11 -1.795 -2.072 7.883 1.00 0.00 C ATOM 129 O ILE A 11 -0.769 -2.615 7.477 1.00 0.00 O ATOM 130 CB ILE A 11 -4.085 -3.043 7.270 1.00 0.00 C ATOM 131 CG1 ILE A 11 -5.234 -3.920 7.771 1.00 0.00 C ATOM 132 CG2 ILE A 11 -3.506 -3.556 5.950 1.00 0.00 C ATOM 133 CD1 ILE A 11 -6.367 -3.980 6.744 1.00 0.00 C ATOM 0 H ILE A 11 -4.388 -1.800 9.432 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.625 -3.922 8.508 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.497 -2.052 7.078 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.867 -4.926 7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.613 -3.525 8.713 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.303 -3.641 5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.750 -2.859 5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.052 -4.534 6.108 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.171 -4.610 7.125 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.748 -2.975 6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.990 -4.398 5.811 1.00 0.00 H new ATOM 145 N VAL A 12 -1.966 -0.761 7.970 1.00 0.00 N ATOM 146 CA VAL A 12 -0.912 0.159 7.576 1.00 0.00 C ATOM 147 C VAL A 12 0.294 -0.030 8.498 1.00 0.00 C ATOM 148 O VAL A 12 1.434 -0.055 8.037 1.00 0.00 O ATOM 149 CB VAL A 12 -1.444 1.594 7.574 1.00 0.00 C ATOM 150 CG1 VAL A 12 -0.313 2.597 7.339 1.00 0.00 C ATOM 151 CG2 VAL A 12 -2.554 1.766 6.536 1.00 0.00 C ATOM 0 H VAL A 12 -2.818 -0.314 8.307 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.581 -0.052 6.559 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.871 1.794 8.557 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.718 3.609 7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.429 2.501 8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.156 2.397 6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.914 2.795 6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.164 1.537 5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.376 1.089 6.767 1.00 0.00 H new ATOM 161 N ASP A 13 0.002 -0.159 9.784 1.00 0.00 N ATOM 162 CA ASP A 13 1.048 -0.345 10.774 1.00 0.00 C ATOM 163 C ASP A 13 1.893 -1.563 10.395 1.00 0.00 C ATOM 164 O ASP A 13 3.120 -1.517 10.460 1.00 0.00 O ATOM 165 CB ASP A 13 0.455 -0.595 12.162 1.00 0.00 C ATOM 166 CG ASP A 13 0.030 0.665 12.920 1.00 0.00 C ATOM 167 OD1 ASP A 13 0.012 1.736 12.276 1.00 0.00 O ATOM 168 OD2 ASP A 13 -0.267 0.528 14.127 1.00 0.00 O ATOM 0 H ASP A 13 -0.945 -0.138 10.163 1.00 0.00 H new ATOM 0 HA ASP A 13 1.654 0.561 10.798 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.412 -1.248 12.058 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.189 -1.132 12.763 1.00 0.00 H new ATOM 173 N LYS A 14 1.201 -2.625 10.008 1.00 0.00 N ATOM 174 CA LYS A 14 1.872 -3.854 9.618 1.00 0.00 C ATOM 175 C LYS A 14 2.760 -3.581 8.403 1.00 0.00 C ATOM 176 O LYS A 14 3.896 -4.049 8.342 1.00 0.00 O ATOM 177 CB LYS A 14 0.854 -4.973 9.397 1.00 0.00 C ATOM 178 CG LYS A 14 1.189 -6.197 10.252 1.00 0.00 C ATOM 179 CD LYS A 14 -0.076 -6.801 10.865 1.00 0.00 C ATOM 180 CE LYS A 14 0.254 -7.600 12.128 1.00 0.00 C ATOM 181 NZ LYS A 14 -0.676 -7.246 13.223 1.00 0.00 N ATOM 0 H LYS A 14 0.183 -2.660 9.956 1.00 0.00 H new ATOM 0 HA LYS A 14 2.525 -4.203 10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.145 -4.614 9.645 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.840 -5.254 8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.694 -6.945 9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.881 -5.913 11.044 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.782 -6.007 11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.563 -7.450 10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.188 -8.667 11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.280 -7.399 12.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.438 -7.797 14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.593 -6.231 13.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.651 -7.461 12.933 1.00 0.00 H new ATOM 195 N MET A 15 2.209 -2.825 7.464 1.00 0.00 N ATOM 196 CA MET A 15 2.937 -2.485 6.254 1.00 0.00 C ATOM 197 C MET A 15 4.129 -1.579 6.568 1.00 0.00 C ATOM 198 O MET A 15 5.145 -1.621 5.875 1.00 0.00 O ATOM 199 CB MET A 15 1.999 -1.774 5.276 1.00 0.00 C ATOM 200 CG MET A 15 0.691 -2.551 5.109 1.00 0.00 C ATOM 201 SD MET A 15 0.662 -3.360 3.518 1.00 0.00 S ATOM 202 CE MET A 15 -0.066 -2.066 2.526 1.00 0.00 C ATOM 0 H MET A 15 1.267 -2.439 7.517 1.00 0.00 H new ATOM 0 HA MET A 15 3.312 -3.406 5.807 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.785 -0.768 5.637 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.489 -1.668 4.308 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.593 -3.290 5.904 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.158 -1.873 5.197 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.824 -2.493 1.870 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.527 -1.324 3.178 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.708 -1.590 1.924 1.00 0.00 H new ATOM 212 N HIS A 16 3.966 -0.780 7.613 1.00 0.00 N ATOM 213 CA HIS A 16 5.017 0.134 8.026 1.00 0.00 C ATOM 214 C HIS A 16 6.267 -0.659 8.409 1.00 0.00 C ATOM 215 O HIS A 16 7.367 -0.110 8.450 1.00 0.00 O ATOM 216 CB HIS A 16 4.528 1.049 9.151 1.00 0.00 C ATOM 217 CG HIS A 16 3.955 2.361 8.670 1.00 0.00 C ATOM 218 ND1 HIS A 16 4.620 3.189 7.782 1.00 0.00 N ATOM 219 CD2 HIS A 16 2.774 2.979 8.962 1.00 0.00 C ATOM 220 CE1 HIS A 16 3.864 4.254 7.557 1.00 0.00 C ATOM 221 NE2 HIS A 16 2.721 4.122 8.290 1.00 0.00 N ATOM 0 H HIS A 16 3.122 -0.747 8.185 1.00 0.00 H new ATOM 0 HA HIS A 16 5.284 0.786 7.194 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.769 0.523 9.729 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.359 1.253 9.827 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.012 2.602 9.627 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.110 5.081 6.907 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.952 4.792 8.317 1.00 0.00 H new ATOM 229 N ASP A 17 6.057 -1.939 8.680 1.00 0.00 N ATOM 230 CA ASP A 17 7.153 -2.814 9.058 1.00 0.00 C ATOM 231 C ASP A 17 7.756 -3.443 7.800 1.00 0.00 C ATOM 232 O ASP A 17 7.155 -3.392 6.728 1.00 0.00 O ATOM 233 CB ASP A 17 6.667 -3.946 9.966 1.00 0.00 C ATOM 234 CG ASP A 17 7.749 -4.584 10.839 1.00 0.00 C ATOM 235 OD1 ASP A 17 8.037 -3.999 11.905 1.00 0.00 O ATOM 236 OD2 ASP A 17 8.264 -5.644 10.421 1.00 0.00 O ATOM 0 H ASP A 17 5.143 -2.391 8.645 1.00 0.00 H new ATOM 0 HA ASP A 17 7.892 -2.216 9.591 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.880 -3.560 10.614 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.218 -4.722 9.346 1.00 0.00 H new ATOM 241 N THR A 18 8.935 -4.022 7.973 1.00 0.00 N ATOM 242 CA THR A 18 9.624 -4.660 6.865 1.00 0.00 C ATOM 243 C THR A 18 9.690 -6.174 7.078 1.00 0.00 C ATOM 244 O THR A 18 9.506 -6.945 6.137 1.00 0.00 O ATOM 245 CB THR A 18 11.001 -4.007 6.725 1.00 0.00 C ATOM 246 OG1 THR A 18 11.549 -4.599 5.551 1.00 0.00 O ATOM 247 CG2 THR A 18 11.964 -4.426 7.838 1.00 0.00 C ATOM 0 H THR A 18 9.430 -4.063 8.864 1.00 0.00 H new ATOM 0 HA THR A 18 9.083 -4.518 5.929 1.00 0.00 H new ATOM 0 HB THR A 18 10.890 -2.923 6.730 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.442 -4.231 5.385 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.926 -3.934 7.691 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.552 -4.135 8.804 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.101 -5.507 7.812 1.00 0.00 H new ATOM 255 N SER A 19 9.951 -6.554 8.320 1.00 0.00 N ATOM 256 CA SER A 19 10.042 -7.962 8.668 1.00 0.00 C ATOM 257 C SER A 19 8.717 -8.663 8.364 1.00 0.00 C ATOM 258 O SER A 19 8.646 -9.499 7.464 1.00 0.00 O ATOM 259 CB SER A 19 10.411 -8.142 10.142 1.00 0.00 C ATOM 260 OG SER A 19 11.778 -7.824 10.393 1.00 0.00 O ATOM 0 H SER A 19 10.102 -5.912 9.098 1.00 0.00 H new ATOM 0 HA SER A 19 10.831 -8.413 8.066 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.772 -7.507 10.756 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.218 -9.172 10.441 1.00 0.00 H new ATOM 0 HG SER A 19 11.974 -7.950 11.345 1.00 0.00 H new ATOM 266 N THR A 20 7.701 -8.298 9.131 1.00 0.00 N ATOM 267 CA THR A 20 6.382 -8.882 8.954 1.00 0.00 C ATOM 268 C THR A 20 5.558 -8.051 7.968 1.00 0.00 C ATOM 269 O THR A 20 4.632 -8.563 7.341 1.00 0.00 O ATOM 270 CB THR A 20 5.732 -9.008 10.334 1.00 0.00 C ATOM 271 OG1 THR A 20 5.659 -7.666 10.807 1.00 0.00 O ATOM 272 CG2 THR A 20 6.639 -9.711 11.346 1.00 0.00 C ATOM 0 H THR A 20 7.764 -7.605 9.877 1.00 0.00 H new ATOM 0 HA THR A 20 6.446 -9.878 8.516 1.00 0.00 H new ATOM 0 HB THR A 20 4.794 -9.556 10.245 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.248 -7.655 11.697 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.130 -9.774 12.308 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.870 -10.715 10.991 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.563 -9.145 11.461 1.00 0.00 H new ATOM 280 N GLY A 21 5.925 -6.782 7.862 1.00 0.00 N ATOM 281 CA GLY A 21 5.232 -5.875 6.963 1.00 0.00 C ATOM 282 C GLY A 21 5.481 -6.255 5.502 1.00 0.00 C ATOM 283 O GLY A 21 5.925 -7.364 5.212 1.00 0.00 O ATOM 0 H GLY A 21 6.693 -6.361 8.384 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.162 -5.898 7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.570 -4.854 7.140 1.00 0.00 H new ATOM 287 N ILE A 22 5.185 -5.311 4.620 1.00 0.00 N ATOM 288 CA ILE A 22 5.371 -5.532 3.196 1.00 0.00 C ATOM 289 C ILE A 22 6.847 -5.340 2.844 1.00 0.00 C ATOM 290 O ILE A 22 7.660 -5.024 3.711 1.00 0.00 O ATOM 291 CB ILE A 22 4.425 -4.643 2.388 1.00 0.00 C ATOM 292 CG1 ILE A 22 4.174 -5.231 0.998 1.00 0.00 C ATOM 293 CG2 ILE A 22 4.948 -3.207 2.317 1.00 0.00 C ATOM 294 CD1 ILE A 22 2.677 -5.273 0.682 1.00 0.00 C ATOM 0 H ILE A 22 4.818 -4.391 4.864 1.00 0.00 H new ATOM 0 HA ILE A 22 5.110 -6.557 2.932 1.00 0.00 H new ATOM 0 HB ILE A 22 3.465 -4.610 2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.691 -4.633 0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.589 -6.238 0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.256 -2.596 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.033 -2.801 3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.927 -3.200 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.527 -5.695 -0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.167 -5.892 1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.270 -4.262 0.712 1.00 0.00 H new ATOM 306 N ARG A 23 7.149 -5.539 1.569 1.00 0.00 N ATOM 307 CA ARG A 23 8.513 -5.391 1.091 1.00 0.00 C ATOM 308 C ARG A 23 8.518 -5.018 -0.393 1.00 0.00 C ATOM 309 O ARG A 23 8.494 -5.893 -1.257 1.00 0.00 O ATOM 310 CB ARG A 23 9.309 -6.683 1.287 1.00 0.00 C ATOM 311 CG ARG A 23 9.502 -6.987 2.774 1.00 0.00 C ATOM 312 CD ARG A 23 10.780 -7.795 3.008 1.00 0.00 C ATOM 313 NE ARG A 23 10.452 -9.085 3.655 1.00 0.00 N ATOM 314 CZ ARG A 23 11.336 -9.834 4.328 1.00 0.00 C ATOM 315 NH1 ARG A 23 12.607 -9.427 4.445 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.949 -10.991 4.883 1.00 0.00 N ATOM 0 H ARG A 23 6.472 -5.801 0.853 1.00 0.00 H new ATOM 0 HA ARG A 23 8.983 -4.597 1.671 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.788 -7.512 0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.281 -6.593 0.801 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.549 -6.054 3.336 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.643 -7.542 3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.286 -7.973 2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.468 -7.229 3.635 1.00 0.00 H new ATOM 0 HE ARG A 23 9.493 -9.425 3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.902 -8.547 4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.280 -9.997 4.957 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.982 -11.301 4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.622 -11.561 5.395 1.00 0.00 H new ATOM 330 N PRO A 24 8.550 -3.683 -0.650 1.00 0.00 N ATOM 331 CA PRO A 24 8.559 -3.183 -2.014 1.00 0.00 C ATOM 332 C PRO A 24 9.932 -3.376 -2.660 1.00 0.00 C ATOM 333 O PRO A 24 10.865 -2.625 -2.378 1.00 0.00 O ATOM 334 CB PRO A 24 8.155 -1.722 -1.901 1.00 0.00 C ATOM 335 CG PRO A 24 8.387 -1.337 -0.449 1.00 0.00 C ATOM 336 CD PRO A 24 8.579 -2.617 0.348 1.00 0.00 C ATOM 0 HA PRO A 24 7.871 -3.723 -2.664 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.749 -1.100 -2.570 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.111 -1.583 -2.180 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.264 -0.696 -0.360 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.539 -0.771 -0.064 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.525 -2.608 0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.789 -2.745 1.088 1.00 0.00 H new ATOM 529 N THR A 37 8.174 0.596 -4.318 1.00 0.00 N ATOM 530 CA THR A 37 6.983 0.008 -4.906 1.00 0.00 C ATOM 531 C THR A 37 6.971 -1.506 -4.684 1.00 0.00 C ATOM 532 O THR A 37 8.019 -2.149 -4.707 1.00 0.00 O ATOM 533 CB THR A 37 6.937 0.406 -6.382 1.00 0.00 C ATOM 534 OG1 THR A 37 8.264 0.169 -6.847 1.00 0.00 O ATOM 535 CG2 THR A 37 6.738 1.911 -6.577 1.00 0.00 C ATOM 0 HA THR A 37 6.079 0.383 -4.426 1.00 0.00 H new ATOM 0 HB THR A 37 6.131 -0.134 -6.878 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.901 0.343 -6.123 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.713 2.140 -7.642 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.798 2.216 -6.118 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.562 2.451 -6.110 1.00 0.00 H new ATOM 543 N PHE A 38 5.773 -2.032 -4.475 1.00 0.00 N ATOM 544 CA PHE A 38 5.610 -3.458 -4.250 1.00 0.00 C ATOM 545 C PHE A 38 4.565 -4.048 -5.200 1.00 0.00 C ATOM 546 O PHE A 38 3.449 -3.539 -5.294 1.00 0.00 O ATOM 547 CB PHE A 38 5.127 -3.631 -2.809 1.00 0.00 C ATOM 548 CG PHE A 38 3.859 -2.841 -2.478 1.00 0.00 C ATOM 549 CD1 PHE A 38 2.639 -3.347 -2.803 1.00 0.00 C ATOM 550 CD2 PHE A 38 3.952 -1.634 -1.860 1.00 0.00 C ATOM 551 CE1 PHE A 38 1.462 -2.614 -2.496 1.00 0.00 C ATOM 552 CE2 PHE A 38 2.775 -0.901 -1.553 1.00 0.00 C ATOM 553 CZ PHE A 38 1.555 -1.406 -1.878 1.00 0.00 C ATOM 0 H PHE A 38 4.906 -1.496 -4.457 1.00 0.00 H new ATOM 0 HA PHE A 38 6.554 -3.973 -4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.942 -4.689 -2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.922 -3.322 -2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.565 -4.306 -3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.921 -1.232 -1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.493 -3.016 -2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.849 0.058 -1.061 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.660 -0.848 -1.645 1.00 0.00 H new ATOM 563 N LEU A 39 4.964 -5.112 -5.880 1.00 0.00 N ATOM 564 CA LEU A 39 4.076 -5.777 -6.819 1.00 0.00 C ATOM 565 C LEU A 39 2.664 -5.824 -6.232 1.00 0.00 C ATOM 566 O LEU A 39 2.495 -5.974 -5.023 1.00 0.00 O ATOM 567 CB LEU A 39 4.631 -7.151 -7.200 1.00 0.00 C ATOM 568 CG LEU A 39 6.098 -7.186 -7.630 1.00 0.00 C ATOM 569 CD1 LEU A 39 6.476 -8.563 -8.180 1.00 0.00 C ATOM 570 CD2 LEU A 39 6.404 -6.067 -8.628 1.00 0.00 C ATOM 0 H LEU A 39 5.891 -5.531 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 39 4.015 -5.215 -7.751 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.507 -7.820 -6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.025 -7.553 -8.012 1.00 0.00 H new ATOM 0 HG LEU A 39 6.716 -7.010 -6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.524 -8.560 -8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.320 -9.318 -7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.853 -8.793 -9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.454 -6.115 -8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.778 -6.187 -9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.198 -5.101 -8.166 1.00 0.00 H new ATOM 582 N GLY A 40 1.686 -5.694 -7.116 1.00 0.00 N ATOM 583 CA GLY A 40 0.294 -5.721 -6.701 1.00 0.00 C ATOM 584 C GLY A 40 -0.053 -7.051 -6.030 1.00 0.00 C ATOM 585 O GLY A 40 -0.833 -7.086 -5.079 1.00 0.00 O ATOM 0 H GLY A 40 1.830 -5.570 -8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.101 -4.900 -6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.350 -5.568 -7.567 1.00 0.00 H new ATOM 589 N SER A 41 0.544 -8.113 -6.550 1.00 0.00 N ATOM 590 CA SER A 41 0.308 -9.443 -6.013 1.00 0.00 C ATOM 591 C SER A 41 0.906 -9.554 -4.610 1.00 0.00 C ATOM 592 O SER A 41 0.288 -10.123 -3.711 1.00 0.00 O ATOM 593 CB SER A 41 0.896 -10.519 -6.928 1.00 0.00 C ATOM 594 OG SER A 41 0.594 -11.833 -6.469 1.00 0.00 O ATOM 0 H SER A 41 1.191 -8.080 -7.338 1.00 0.00 H new ATOM 0 HA SER A 41 -0.769 -9.603 -5.956 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.506 -10.389 -7.938 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.977 -10.395 -6.986 1.00 0.00 H new ATOM 0 HG SER A 41 0.985 -12.491 -7.081 1.00 0.00 H new ATOM 600 N SER A 42 2.101 -9.001 -4.465 1.00 0.00 N ATOM 601 CA SER A 42 2.790 -9.031 -3.186 1.00 0.00 C ATOM 602 C SER A 42 1.856 -8.541 -2.077 1.00 0.00 C ATOM 603 O SER A 42 1.796 -9.136 -1.003 1.00 0.00 O ATOM 604 CB SER A 42 4.061 -8.180 -3.224 1.00 0.00 C ATOM 605 OG SER A 42 5.046 -8.650 -2.308 1.00 0.00 O ATOM 0 H SER A 42 2.610 -8.529 -5.212 1.00 0.00 H new ATOM 0 HA SER A 42 3.081 -10.061 -2.979 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.472 -8.187 -4.234 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.812 -7.145 -2.989 1.00 0.00 H new ATOM 0 HG SER A 42 5.842 -8.082 -2.364 1.00 0.00 H new ATOM 611 N LEU A 43 1.151 -7.460 -2.377 1.00 0.00 N ATOM 612 CA LEU A 43 0.223 -6.882 -1.419 1.00 0.00 C ATOM 613 C LEU A 43 -0.907 -7.877 -1.147 1.00 0.00 C ATOM 614 O LEU A 43 -1.167 -8.228 0.003 1.00 0.00 O ATOM 615 CB LEU A 43 -0.264 -5.515 -1.902 1.00 0.00 C ATOM 616 CG LEU A 43 -1.324 -4.835 -1.033 1.00 0.00 C ATOM 617 CD1 LEU A 43 -1.060 -5.089 0.453 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.418 -3.341 -1.351 1.00 0.00 C ATOM 0 H LEU A 43 1.204 -6.969 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 43 0.723 -6.698 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.597 -4.850 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.667 -5.630 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.293 -5.276 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.828 -4.595 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.083 -6.161 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.081 -4.692 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.179 -2.882 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.455 -2.867 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.688 -3.208 -2.399 1.00 0.00 H new ATOM 630 N VAL A 44 -1.549 -8.304 -2.225 1.00 0.00 N ATOM 631 CA VAL A 44 -2.645 -9.251 -2.117 1.00 0.00 C ATOM 632 C VAL A 44 -2.229 -10.404 -1.200 1.00 0.00 C ATOM 633 O VAL A 44 -2.775 -10.561 -0.109 1.00 0.00 O ATOM 634 CB VAL A 44 -3.071 -9.719 -3.510 1.00 0.00 C ATOM 635 CG1 VAL A 44 -4.072 -10.873 -3.419 1.00 0.00 C ATOM 636 CG2 VAL A 44 -3.644 -8.559 -4.327 1.00 0.00 C ATOM 0 H VAL A 44 -1.331 -8.011 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.517 -8.776 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.184 -10.086 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.358 -11.186 -4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.614 -11.711 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.958 -10.544 -2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.939 -8.919 -5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.514 -8.149 -3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.887 -7.782 -4.436 1.00 0.00 H new ATOM 646 N ASP A 45 -1.267 -11.179 -1.678 1.00 0.00 N ATOM 647 CA ASP A 45 -0.772 -12.312 -0.915 1.00 0.00 C ATOM 648 C ASP A 45 -0.497 -11.872 0.525 1.00 0.00 C ATOM 649 O ASP A 45 -0.889 -12.552 1.471 1.00 0.00 O ATOM 650 CB ASP A 45 0.536 -12.844 -1.504 1.00 0.00 C ATOM 651 CG ASP A 45 0.780 -14.340 -1.292 1.00 0.00 C ATOM 652 OD1 ASP A 45 -0.196 -15.103 -1.456 1.00 0.00 O ATOM 653 OD2 ASP A 45 1.937 -14.685 -0.970 1.00 0.00 O ATOM 0 H ASP A 45 -0.817 -11.045 -2.584 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.528 -13.096 -0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.545 -12.638 -2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.366 -12.290 -1.066 1.00 0.00 H new ATOM 658 N TRP A 46 0.175 -10.736 0.644 1.00 0.00 N ATOM 659 CA TRP A 46 0.507 -10.197 1.951 1.00 0.00 C ATOM 660 C TRP A 46 -0.785 -10.101 2.765 1.00 0.00 C ATOM 661 O TRP A 46 -0.936 -10.782 3.779 1.00 0.00 O ATOM 662 CB TRP A 46 1.233 -8.856 1.823 1.00 0.00 C ATOM 663 CG TRP A 46 1.715 -8.280 3.156 1.00 0.00 C ATOM 664 CD1 TRP A 46 2.863 -8.536 3.799 1.00 0.00 C ATOM 665 CD2 TRP A 46 1.012 -7.333 3.988 1.00 0.00 C ATOM 666 NE1 TRP A 46 2.950 -7.827 4.979 1.00 0.00 N ATOM 667 CE2 TRP A 46 1.789 -7.072 5.098 1.00 0.00 C ATOM 668 CE3 TRP A 46 -0.239 -6.717 3.808 1.00 0.00 C ATOM 669 CZ2 TRP A 46 1.402 -6.191 6.115 1.00 0.00 C ATOM 670 CZ3 TRP A 46 -0.612 -5.839 4.833 1.00 0.00 C ATOM 671 CH2 TRP A 46 0.159 -5.566 5.957 1.00 0.00 C ATOM 0 H TRP A 46 0.498 -10.174 -0.144 1.00 0.00 H new ATOM 0 HA TRP A 46 1.201 -10.855 2.474 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.090 -8.980 1.161 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.565 -8.137 1.348 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.624 -9.212 3.439 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.724 -7.852 5.643 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.863 -6.906 2.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.028 -6.004 6.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.565 -5.339 4.744 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.199 -4.875 6.705 1.00 0.00 H new ATOM 682 N LEU A 47 -1.684 -9.251 2.292 1.00 0.00 N ATOM 683 CA LEU A 47 -2.958 -9.058 2.963 1.00 0.00 C ATOM 684 C LEU A 47 -3.501 -10.414 3.417 1.00 0.00 C ATOM 685 O LEU A 47 -3.846 -10.589 4.585 1.00 0.00 O ATOM 686 CB LEU A 47 -3.923 -8.279 2.067 1.00 0.00 C ATOM 687 CG LEU A 47 -3.647 -6.780 1.928 1.00 0.00 C ATOM 688 CD1 LEU A 47 -4.330 -6.210 0.683 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.049 -6.028 3.198 1.00 0.00 C ATOM 0 H LEU A 47 -1.555 -8.688 1.451 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.828 -8.450 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.905 -8.725 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.933 -8.408 2.456 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.574 -6.641 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.118 -5.143 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.952 -6.718 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.407 -6.361 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.842 -4.965 3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.113 -6.171 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.478 -6.411 4.044 1.00 0.00 H new ATOM 701 N ILE A 48 -3.560 -11.340 2.471 1.00 0.00 N ATOM 702 CA ILE A 48 -4.055 -12.675 2.760 1.00 0.00 C ATOM 703 C ILE A 48 -3.385 -13.198 4.032 1.00 0.00 C ATOM 704 O ILE A 48 -4.045 -13.385 5.053 1.00 0.00 O ATOM 705 CB ILE A 48 -3.869 -13.589 1.547 1.00 0.00 C ATOM 706 CG1 ILE A 48 -4.648 -13.062 0.340 1.00 0.00 C ATOM 707 CG2 ILE A 48 -4.245 -15.033 1.886 1.00 0.00 C ATOM 708 CD1 ILE A 48 -4.242 -13.799 -0.938 1.00 0.00 C ATOM 0 H ILE A 48 -3.273 -11.192 1.503 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.128 -12.651 2.951 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.813 -13.587 1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.717 -13.185 0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.465 -11.994 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.104 -15.662 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.611 -15.394 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.289 -15.074 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.810 -13.406 -1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.177 -13.654 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.449 -14.863 -0.826 1.00 0.00 H new ATOM 720 N SER A 49 -2.083 -13.421 3.929 1.00 0.00 N ATOM 721 CA SER A 49 -1.317 -13.919 5.058 1.00 0.00 C ATOM 722 C SER A 49 -1.475 -12.977 6.254 1.00 0.00 C ATOM 723 O SER A 49 -1.387 -13.407 7.403 1.00 0.00 O ATOM 724 CB SER A 49 0.162 -14.073 4.696 1.00 0.00 C ATOM 725 OG SER A 49 0.838 -14.961 5.582 1.00 0.00 O ATOM 0 H SER A 49 -1.539 -13.266 3.080 1.00 0.00 H new ATOM 0 HA SER A 49 -1.702 -14.903 5.325 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.249 -14.444 3.675 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.645 -13.096 4.723 1.00 0.00 H new ATOM 0 HG SER A 49 1.779 -15.034 5.317 1.00 0.00 H new ATOM 731 N SER A 50 -1.704 -11.710 5.942 1.00 0.00 N ATOM 732 CA SER A 50 -1.875 -10.704 6.976 1.00 0.00 C ATOM 733 C SER A 50 -3.110 -11.026 7.820 1.00 0.00 C ATOM 734 O SER A 50 -3.298 -10.457 8.895 1.00 0.00 O ATOM 735 CB SER A 50 -1.997 -9.305 6.369 1.00 0.00 C ATOM 736 OG SER A 50 -1.155 -8.362 7.027 1.00 0.00 O ATOM 0 H SER A 50 -1.775 -11.357 4.988 1.00 0.00 H new ATOM 0 HA SER A 50 -0.992 -10.717 7.615 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.739 -9.345 5.311 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.033 -8.972 6.432 1.00 0.00 H new ATOM 0 HG SER A 50 -1.700 -7.628 7.381 1.00 0.00 H new ATOM 742 N ASN A 51 -3.920 -11.937 7.303 1.00 0.00 N ATOM 743 CA ASN A 51 -5.132 -12.342 7.995 1.00 0.00 C ATOM 744 C ASN A 51 -6.231 -11.308 7.737 1.00 0.00 C ATOM 745 O ASN A 51 -7.281 -11.341 8.376 1.00 0.00 O ATOM 746 CB ASN A 51 -4.903 -12.421 9.506 1.00 0.00 C ATOM 747 CG ASN A 51 -5.937 -13.331 10.171 1.00 0.00 C ATOM 748 OD1 ASN A 51 -6.513 -14.213 9.555 1.00 0.00 O ATOM 749 ND2 ASN A 51 -6.140 -13.069 11.459 1.00 0.00 N ATOM 0 H ASN A 51 -3.761 -12.407 6.412 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.421 -13.324 7.622 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.900 -12.798 9.706 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.961 -11.422 9.939 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.812 -13.621 11.992 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.624 -12.316 11.914 1.00 0.00 H new ATOM 756 N PHE A 52 -5.950 -10.415 6.800 1.00 0.00 N ATOM 757 CA PHE A 52 -6.901 -9.374 6.450 1.00 0.00 C ATOM 758 C PHE A 52 -7.800 -9.819 5.294 1.00 0.00 C ATOM 759 O PHE A 52 -8.852 -9.226 5.057 1.00 0.00 O ATOM 760 CB PHE A 52 -6.089 -8.155 6.008 1.00 0.00 C ATOM 761 CG PHE A 52 -5.007 -7.734 7.005 1.00 0.00 C ATOM 762 CD1 PHE A 52 -5.016 -8.235 8.269 1.00 0.00 C ATOM 763 CD2 PHE A 52 -4.038 -6.858 6.627 1.00 0.00 C ATOM 764 CE1 PHE A 52 -4.012 -7.844 9.195 1.00 0.00 C ATOM 765 CE2 PHE A 52 -3.034 -6.467 7.553 1.00 0.00 C ATOM 766 CZ PHE A 52 -3.043 -6.968 8.817 1.00 0.00 C ATOM 0 H PHE A 52 -5.077 -10.391 6.272 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.538 -9.150 7.306 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.620 -8.372 5.048 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.768 -7.317 5.849 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.786 -8.930 8.569 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.032 -6.460 5.623 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.018 -8.242 10.199 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.264 -5.772 7.253 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.280 -6.670 9.521 1.00 0.00 H new ATOM 776 N ALA A 53 -7.353 -10.859 4.605 1.00 0.00 N ATOM 777 CA ALA A 53 -8.104 -11.389 3.480 1.00 0.00 C ATOM 778 C ALA A 53 -8.035 -12.918 3.502 1.00 0.00 C ATOM 779 O ALA A 53 -7.137 -13.493 4.115 1.00 0.00 O ATOM 780 CB ALA A 53 -7.558 -10.800 2.178 1.00 0.00 C ATOM 0 H ALA A 53 -6.481 -11.348 4.804 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.154 -11.104 3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.122 -11.198 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.656 -9.715 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.507 -11.067 2.070 1.00 0.00 H new ATOM 786 N ALA A 54 -8.995 -13.532 2.826 1.00 0.00 N ATOM 787 CA ALA A 54 -9.054 -14.982 2.761 1.00 0.00 C ATOM 788 C ALA A 54 -8.577 -15.446 1.383 1.00 0.00 C ATOM 789 O ALA A 54 -7.995 -16.522 1.254 1.00 0.00 O ATOM 790 CB ALA A 54 -10.478 -15.449 3.072 1.00 0.00 C ATOM 0 H ALA A 54 -9.738 -13.052 2.319 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.394 -15.427 3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.523 -16.537 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.759 -15.119 4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.168 -15.024 2.342 1.00 0.00 H new ATOM 796 N SER A 55 -8.840 -14.611 0.389 1.00 0.00 N ATOM 797 CA SER A 55 -8.444 -14.922 -0.974 1.00 0.00 C ATOM 798 C SER A 55 -8.003 -13.646 -1.695 1.00 0.00 C ATOM 799 O SER A 55 -8.306 -12.540 -1.249 1.00 0.00 O ATOM 800 CB SER A 55 -9.585 -15.596 -1.739 1.00 0.00 C ATOM 801 OG SER A 55 -9.109 -16.592 -2.639 1.00 0.00 O ATOM 0 H SER A 55 -9.323 -13.719 0.500 1.00 0.00 H new ATOM 0 HA SER A 55 -7.607 -15.619 -0.936 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.278 -16.049 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.144 -14.843 -2.294 1.00 0.00 H new ATOM 0 HG SER A 55 -9.868 -17.000 -3.107 1.00 0.00 H new ATOM 807 N ARG A 56 -7.293 -13.842 -2.797 1.00 0.00 N ATOM 808 CA ARG A 56 -6.807 -12.722 -3.583 1.00 0.00 C ATOM 809 C ARG A 56 -7.865 -11.618 -3.645 1.00 0.00 C ATOM 810 O ARG A 56 -7.539 -10.435 -3.565 1.00 0.00 O ATOM 811 CB ARG A 56 -6.453 -13.160 -5.006 1.00 0.00 C ATOM 812 CG ARG A 56 -4.976 -13.545 -5.109 1.00 0.00 C ATOM 813 CD ARG A 56 -4.806 -14.867 -5.861 1.00 0.00 C ATOM 814 NE ARG A 56 -4.228 -14.617 -7.200 1.00 0.00 N ATOM 815 CZ ARG A 56 -4.254 -15.501 -8.207 1.00 0.00 C ATOM 816 NH1 ARG A 56 -4.829 -16.698 -8.032 1.00 0.00 N ATOM 817 NH2 ARG A 56 -3.705 -15.188 -9.388 1.00 0.00 N ATOM 0 H ARG A 56 -7.043 -14.760 -3.164 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.908 -12.342 -3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.075 -14.008 -5.295 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.672 -12.352 -5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.426 -12.757 -5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.549 -13.633 -4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.158 -15.536 -5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.770 -15.365 -5.959 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.782 -13.715 -7.367 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.247 -16.936 -7.133 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.849 -17.371 -8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.267 -14.277 -9.521 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.725 -15.861 -10.154 1.00 0.00 H new ATOM 831 N LEU A 57 -9.112 -12.045 -3.788 1.00 0.00 N ATOM 832 CA LEU A 57 -10.219 -11.107 -3.862 1.00 0.00 C ATOM 833 C LEU A 57 -10.211 -10.216 -2.619 1.00 0.00 C ATOM 834 O LEU A 57 -9.914 -9.025 -2.706 1.00 0.00 O ATOM 835 CB LEU A 57 -11.538 -11.853 -4.075 1.00 0.00 C ATOM 836 CG LEU A 57 -12.535 -11.193 -5.030 1.00 0.00 C ATOM 837 CD1 LEU A 57 -13.315 -10.081 -4.326 1.00 0.00 C ATOM 838 CD2 LEU A 57 -11.833 -10.689 -6.293 1.00 0.00 C ATOM 0 H LEU A 57 -9.379 -13.027 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.106 -10.451 -4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.312 -12.851 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.022 -11.979 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.259 -11.946 -5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.016 -9.629 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.864 -10.500 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.621 -9.321 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.564 -10.224 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.074 -9.956 -6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.361 -11.527 -6.806 1.00 0.00 H new ATOM 850 N GLU A 58 -10.541 -10.826 -1.490 1.00 0.00 N ATOM 851 CA GLU A 58 -10.576 -10.102 -0.230 1.00 0.00 C ATOM 852 C GLU A 58 -9.353 -9.190 -0.109 1.00 0.00 C ATOM 853 O GLU A 58 -9.454 -8.076 0.401 1.00 0.00 O ATOM 854 CB GLU A 58 -10.661 -11.066 0.954 1.00 0.00 C ATOM 855 CG GLU A 58 -12.095 -11.560 1.157 1.00 0.00 C ATOM 856 CD GLU A 58 -12.115 -12.884 1.924 1.00 0.00 C ATOM 857 OE1 GLU A 58 -11.863 -13.921 1.273 1.00 0.00 O ATOM 858 OE2 GLU A 58 -12.383 -12.830 3.144 1.00 0.00 O ATOM 0 H GLU A 58 -10.787 -11.814 -1.421 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.471 -9.481 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.000 -11.916 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.313 -10.568 1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.668 -10.810 1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.580 -11.689 0.189 1.00 0.00 H new ATOM 865 N ALA A 59 -8.226 -9.699 -0.585 1.00 0.00 N ATOM 866 CA ALA A 59 -6.985 -8.944 -0.536 1.00 0.00 C ATOM 867 C ALA A 59 -7.069 -7.768 -1.512 1.00 0.00 C ATOM 868 O ALA A 59 -6.780 -6.631 -1.144 1.00 0.00 O ATOM 869 CB ALA A 59 -5.810 -9.874 -0.844 1.00 0.00 C ATOM 0 H ALA A 59 -8.146 -10.625 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.824 -8.534 0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.879 -9.308 -0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.777 -10.675 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.936 -10.302 -1.839 1.00 0.00 H new ATOM 875 N VAL A 60 -7.467 -8.083 -2.735 1.00 0.00 N ATOM 876 CA VAL A 60 -7.593 -7.067 -3.766 1.00 0.00 C ATOM 877 C VAL A 60 -8.237 -5.816 -3.167 1.00 0.00 C ATOM 878 O VAL A 60 -7.739 -4.706 -3.353 1.00 0.00 O ATOM 879 CB VAL A 60 -8.370 -7.626 -4.960 1.00 0.00 C ATOM 880 CG1 VAL A 60 -8.991 -6.498 -5.786 1.00 0.00 C ATOM 881 CG2 VAL A 60 -7.477 -8.514 -5.828 1.00 0.00 C ATOM 0 H VAL A 60 -7.707 -9.028 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.611 -6.779 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.181 -8.243 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.537 -6.922 -6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.675 -5.924 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.203 -5.843 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.054 -8.898 -6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.636 -7.930 -6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.104 -9.348 -5.233 1.00 0.00 H new ATOM 891 N THR A 61 -9.335 -6.036 -2.458 1.00 0.00 N ATOM 892 CA THR A 61 -10.053 -4.939 -1.830 1.00 0.00 C ATOM 893 C THR A 61 -9.196 -4.298 -0.736 1.00 0.00 C ATOM 894 O THR A 61 -9.056 -3.077 -0.688 1.00 0.00 O ATOM 895 CB THR A 61 -11.388 -5.481 -1.316 1.00 0.00 C ATOM 896 OG1 THR A 61 -12.335 -4.485 -1.693 1.00 0.00 O ATOM 897 CG2 THR A 61 -11.461 -5.506 0.212 1.00 0.00 C ATOM 0 H THR A 61 -9.745 -6.957 -2.305 1.00 0.00 H new ATOM 0 HA THR A 61 -10.262 -4.143 -2.544 1.00 0.00 H new ATOM 0 HB THR A 61 -11.544 -6.488 -1.703 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.230 -4.757 -1.400 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.429 -5.899 0.524 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.668 -6.142 0.604 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.339 -4.494 0.599 1.00 0.00 H new ATOM 905 N LEU A 62 -8.645 -5.151 0.115 1.00 0.00 N ATOM 906 CA LEU A 62 -7.806 -4.683 1.205 1.00 0.00 C ATOM 907 C LEU A 62 -6.826 -3.635 0.675 1.00 0.00 C ATOM 908 O LEU A 62 -6.471 -2.696 1.386 1.00 0.00 O ATOM 909 CB LEU A 62 -7.126 -5.863 1.902 1.00 0.00 C ATOM 910 CG LEU A 62 -7.840 -6.415 3.138 1.00 0.00 C ATOM 911 CD1 LEU A 62 -7.483 -5.603 4.385 1.00 0.00 C ATOM 912 CD2 LEU A 62 -9.352 -6.484 2.912 1.00 0.00 C ATOM 0 H LEU A 62 -8.763 -6.163 0.072 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.411 -4.196 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.016 -6.672 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.121 -5.557 2.194 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.493 -7.434 3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.003 -6.016 5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.407 -5.649 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.784 -4.565 4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.836 -6.880 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.735 -5.485 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.564 -7.137 2.065 1.00 0.00 H new ATOM 924 N ALA A 63 -6.418 -3.829 -0.570 1.00 0.00 N ATOM 925 CA ALA A 63 -5.486 -2.912 -1.204 1.00 0.00 C ATOM 926 C ALA A 63 -6.204 -1.597 -1.515 1.00 0.00 C ATOM 927 O ALA A 63 -5.783 -0.534 -1.062 1.00 0.00 O ATOM 928 CB ALA A 63 -4.898 -3.565 -2.456 1.00 0.00 C ATOM 0 H ALA A 63 -6.716 -4.608 -1.157 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.656 -2.685 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.199 -2.877 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.374 -4.479 -2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.701 -3.805 -3.153 1.00 0.00 H new ATOM 934 N SER A 64 -7.274 -1.712 -2.287 1.00 0.00 N ATOM 935 CA SER A 64 -8.055 -0.546 -2.664 1.00 0.00 C ATOM 936 C SER A 64 -8.501 0.212 -1.412 1.00 0.00 C ATOM 937 O SER A 64 -8.685 1.428 -1.451 1.00 0.00 O ATOM 938 CB SER A 64 -9.269 -0.944 -3.505 1.00 0.00 C ATOM 939 OG SER A 64 -10.398 -1.261 -2.695 1.00 0.00 O ATOM 0 H SER A 64 -7.619 -2.596 -2.662 1.00 0.00 H new ATOM 0 HA SER A 64 -7.426 0.106 -3.270 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.525 -0.128 -4.181 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.015 -1.804 -4.125 1.00 0.00 H new ATOM 0 HG SER A 64 -10.124 -1.864 -1.973 1.00 0.00 H new ATOM 945 N MET A 65 -8.661 -0.537 -0.332 1.00 0.00 N ATOM 946 CA MET A 65 -9.082 0.050 0.929 1.00 0.00 C ATOM 947 C MET A 65 -7.989 0.950 1.507 1.00 0.00 C ATOM 948 O MET A 65 -8.274 2.042 1.997 1.00 0.00 O ATOM 949 CB MET A 65 -9.407 -1.064 1.927 1.00 0.00 C ATOM 950 CG MET A 65 -10.661 -1.831 1.504 1.00 0.00 C ATOM 951 SD MET A 65 -11.834 -1.873 2.848 1.00 0.00 S ATOM 952 CE MET A 65 -11.021 -3.034 3.933 1.00 0.00 C ATOM 0 H MET A 65 -8.507 -1.545 -0.303 1.00 0.00 H new ATOM 0 HA MET A 65 -9.968 0.658 0.747 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.563 -1.751 1.998 1.00 0.00 H new ATOM 0 HB3 MET A 65 -9.555 -0.637 2.919 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.111 -1.356 0.632 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.395 -2.847 1.211 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.621 -3.941 4.011 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.039 -3.282 3.530 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.906 -2.589 4.921 1.00 0.00 H new ATOM 962 N LEU A 66 -6.761 0.459 1.432 1.00 0.00 N ATOM 963 CA LEU A 66 -5.623 1.206 1.941 1.00 0.00 C ATOM 964 C LEU A 66 -5.394 2.439 1.064 1.00 0.00 C ATOM 965 O LEU A 66 -5.160 3.533 1.575 1.00 0.00 O ATOM 966 CB LEU A 66 -4.397 0.300 2.060 1.00 0.00 C ATOM 967 CG LEU A 66 -4.557 -0.933 2.952 1.00 0.00 C ATOM 968 CD1 LEU A 66 -3.600 -2.047 2.525 1.00 0.00 C ATOM 969 CD2 LEU A 66 -4.390 -0.567 4.428 1.00 0.00 C ATOM 0 H LEU A 66 -6.529 -0.448 1.026 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.824 1.565 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.118 -0.033 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.567 0.894 2.441 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.570 -1.315 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.734 -2.911 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.810 -2.332 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.572 -1.692 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.508 -1.461 5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.397 -0.146 4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.145 0.167 4.708 1.00 0.00 H new ATOM 981 N MET A 67 -5.471 2.221 -0.240 1.00 0.00 N ATOM 982 CA MET A 67 -5.275 3.300 -1.193 1.00 0.00 C ATOM 983 C MET A 67 -6.288 4.424 -0.964 1.00 0.00 C ATOM 984 O MET A 67 -5.953 5.601 -1.089 1.00 0.00 O ATOM 985 CB MET A 67 -5.425 2.759 -2.616 1.00 0.00 C ATOM 986 CG MET A 67 -4.126 2.109 -3.095 1.00 0.00 C ATOM 987 SD MET A 67 -3.932 2.355 -4.853 1.00 0.00 S ATOM 988 CE MET A 67 -5.555 1.868 -5.415 1.00 0.00 C ATOM 0 H MET A 67 -5.667 1.312 -0.660 1.00 0.00 H new ATOM 0 HA MET A 67 -4.273 3.705 -1.053 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.234 2.029 -2.648 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.700 3.570 -3.290 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.277 2.539 -2.563 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.138 1.043 -2.868 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.490 1.501 -6.439 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.942 1.079 -4.770 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.225 2.727 -5.379 1.00 0.00 H new ATOM 998 N GLU A 68 -7.505 4.021 -0.632 1.00 0.00 N ATOM 999 CA GLU A 68 -8.569 4.980 -0.384 1.00 0.00 C ATOM 1000 C GLU A 68 -8.270 5.790 0.879 1.00 0.00 C ATOM 1001 O GLU A 68 -8.400 7.013 0.881 1.00 0.00 O ATOM 1002 CB GLU A 68 -9.925 4.279 -0.277 1.00 0.00 C ATOM 1003 CG GLU A 68 -10.684 4.348 -1.603 1.00 0.00 C ATOM 1004 CD GLU A 68 -11.978 5.151 -1.453 1.00 0.00 C ATOM 1005 OE1 GLU A 68 -12.559 5.089 -0.347 1.00 0.00 O ATOM 1006 OE2 GLU A 68 -12.358 5.807 -2.446 1.00 0.00 O ATOM 0 H GLU A 68 -7.779 3.044 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.617 5.666 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.778 3.237 0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.518 4.745 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.053 4.807 -2.364 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.915 3.340 -1.947 1.00 0.00 H new ATOM 1013 N GLU A 69 -7.874 5.076 1.922 1.00 0.00 N ATOM 1014 CA GLU A 69 -7.556 5.714 3.188 1.00 0.00 C ATOM 1015 C GLU A 69 -6.358 6.651 3.023 1.00 0.00 C ATOM 1016 O GLU A 69 -6.043 7.426 3.925 1.00 0.00 O ATOM 1017 CB GLU A 69 -7.290 4.671 4.276 1.00 0.00 C ATOM 1018 CG GLU A 69 -8.591 3.998 4.720 1.00 0.00 C ATOM 1019 CD GLU A 69 -9.529 5.006 5.387 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -9.002 5.885 6.103 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -10.752 4.875 5.165 1.00 0.00 O ATOM 0 H GLU A 69 -7.766 4.062 1.916 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.416 6.306 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.596 3.918 3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.812 5.147 5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.086 3.550 3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.367 3.189 5.415 1.00 0.00 H new ATOM 1028 N ASN A 70 -5.723 6.550 1.865 1.00 0.00 N ATOM 1029 CA ASN A 70 -4.567 7.379 1.570 1.00 0.00 C ATOM 1030 C ASN A 70 -3.313 6.726 2.157 1.00 0.00 C ATOM 1031 O ASN A 70 -2.397 7.418 2.597 1.00 0.00 O ATOM 1032 CB ASN A 70 -4.712 8.769 2.195 1.00 0.00 C ATOM 1033 CG ASN A 70 -4.139 9.847 1.273 1.00 0.00 C ATOM 1034 OD1 ASN A 70 -4.841 10.475 0.498 1.00 0.00 O ATOM 1035 ND2 ASN A 70 -2.827 10.025 1.399 1.00 0.00 N ATOM 0 H ASN A 70 -5.987 5.906 1.119 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.489 7.476 0.487 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.764 8.975 2.392 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.197 8.795 3.155 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.350 10.721 0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.298 9.465 2.068 1.00 0.00 H new ATOM 1042 N PHE A 71 -3.314 5.401 2.143 1.00 0.00 N ATOM 1043 CA PHE A 71 -2.188 4.647 2.668 1.00 0.00 C ATOM 1044 C PHE A 71 -1.323 4.094 1.534 1.00 0.00 C ATOM 1045 O PHE A 71 -0.261 3.523 1.780 1.00 0.00 O ATOM 1046 CB PHE A 71 -2.767 3.479 3.469 1.00 0.00 C ATOM 1047 CG PHE A 71 -3.514 3.903 4.735 1.00 0.00 C ATOM 1048 CD1 PHE A 71 -3.009 4.889 5.525 1.00 0.00 C ATOM 1049 CD2 PHE A 71 -4.682 3.294 5.072 1.00 0.00 C ATOM 1050 CE1 PHE A 71 -3.702 5.282 6.700 1.00 0.00 C ATOM 1051 CE2 PHE A 71 -5.375 3.687 6.247 1.00 0.00 C ATOM 1052 CZ PHE A 71 -4.870 4.672 7.036 1.00 0.00 C ATOM 0 H PHE A 71 -4.076 4.831 1.777 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.562 5.292 3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.447 2.915 2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.957 2.805 3.746 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.081 5.373 5.258 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.083 2.511 4.445 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.302 6.065 7.327 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.303 3.204 6.514 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.397 4.970 7.930 1.00 0.00 H new ATOM 1062 N LEU A 72 -1.808 4.282 0.316 1.00 0.00 N ATOM 1063 CA LEU A 72 -1.093 3.808 -0.857 1.00 0.00 C ATOM 1064 C LEU A 72 -1.732 4.402 -2.114 1.00 0.00 C ATOM 1065 O LEU A 72 -2.844 4.924 -2.061 1.00 0.00 O ATOM 1066 CB LEU A 72 -1.028 2.279 -0.864 1.00 0.00 C ATOM 1067 CG LEU A 72 -2.089 1.559 -0.029 1.00 0.00 C ATOM 1068 CD1 LEU A 72 -2.763 0.449 -0.837 1.00 0.00 C ATOM 1069 CD2 LEU A 72 -1.494 1.035 1.280 1.00 0.00 C ATOM 0 H LEU A 72 -2.688 4.757 0.116 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.058 4.148 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.112 1.936 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.044 1.975 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.863 2.280 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.513 -0.046 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.243 0.879 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.014 -0.278 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.269 0.528 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.689 0.334 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.100 1.869 1.860 1.00 0.00 H new ATOM 1081 N ARG A 73 -1.000 4.304 -3.214 1.00 0.00 N ATOM 1082 CA ARG A 73 -1.481 4.825 -4.482 1.00 0.00 C ATOM 1083 C ARG A 73 -0.968 3.965 -5.638 1.00 0.00 C ATOM 1084 O ARG A 73 0.075 3.323 -5.525 1.00 0.00 O ATOM 1085 CB ARG A 73 -1.027 6.271 -4.690 1.00 0.00 C ATOM 1086 CG ARG A 73 -0.430 6.849 -3.406 1.00 0.00 C ATOM 1087 CD ARG A 73 0.958 6.265 -3.135 1.00 0.00 C ATOM 1088 NE ARG A 73 1.918 7.353 -2.844 1.00 0.00 N ATOM 1089 CZ ARG A 73 2.186 8.362 -3.684 1.00 0.00 C ATOM 1090 NH1 ARG A 73 1.570 8.427 -4.872 1.00 0.00 N ATOM 1091 NH2 ARG A 73 3.072 9.305 -3.337 1.00 0.00 N ATOM 0 H ARG A 73 -0.077 3.871 -3.253 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.570 4.798 -4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.287 6.312 -5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.874 6.880 -5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.362 7.934 -3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.089 6.634 -2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.913 5.574 -2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.296 5.693 -3.999 1.00 0.00 H new ATOM 0 HE ARG A 73 2.406 7.334 -1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.897 7.708 -5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.774 9.195 -5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.543 9.255 -2.433 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.276 10.073 -3.976 1.00 0.00 H new ATOM 1105 N PRO A 74 -1.745 3.980 -6.754 1.00 0.00 N ATOM 1106 CA PRO A 74 -1.381 3.209 -7.931 1.00 0.00 C ATOM 1107 C PRO A 74 -0.226 3.872 -8.684 1.00 0.00 C ATOM 1108 O PRO A 74 -0.203 5.092 -8.843 1.00 0.00 O ATOM 1109 CB PRO A 74 -2.655 3.122 -8.755 1.00 0.00 C ATOM 1110 CG PRO A 74 -3.559 4.232 -8.243 1.00 0.00 C ATOM 1111 CD PRO A 74 -2.987 4.728 -6.925 1.00 0.00 C ATOM 0 HA PRO A 74 -1.014 2.213 -7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.443 3.249 -9.817 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.129 2.147 -8.639 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.612 5.046 -8.966 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.575 3.863 -8.103 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.802 5.802 -6.953 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.676 4.545 -6.101 1.00 0.00 H new ATOM 1361 N PHE A 92 -8.393 -2.107 -8.089 1.00 0.00 N ATOM 1362 CA PHE A 92 -7.084 -2.677 -7.818 1.00 0.00 C ATOM 1363 C PHE A 92 -6.869 -3.963 -8.617 1.00 0.00 C ATOM 1364 O PHE A 92 -7.830 -4.606 -9.035 1.00 0.00 O ATOM 1365 CB PHE A 92 -7.040 -3.005 -6.324 1.00 0.00 C ATOM 1366 CG PHE A 92 -5.635 -3.288 -5.790 1.00 0.00 C ATOM 1367 CD1 PHE A 92 -4.801 -2.257 -5.490 1.00 0.00 C ATOM 1368 CD2 PHE A 92 -5.220 -4.571 -5.614 1.00 0.00 C ATOM 1369 CE1 PHE A 92 -3.496 -2.520 -4.995 1.00 0.00 C ATOM 1370 CE2 PHE A 92 -3.916 -4.834 -5.119 1.00 0.00 C ATOM 1371 CZ PHE A 92 -3.081 -3.803 -4.819 1.00 0.00 C ATOM 0 HA PHE A 92 -6.305 -1.970 -8.103 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.468 -2.172 -5.767 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.671 -3.873 -6.134 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.131 -1.238 -5.628 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.883 -5.390 -5.851 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.833 -1.701 -4.758 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.587 -5.853 -4.980 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.089 -4.003 -4.441 1.00 0.00 H new ATOM 1381 N LEU A 93 -5.602 -4.300 -8.805 1.00 0.00 N ATOM 1382 CA LEU A 93 -5.248 -5.499 -9.547 1.00 0.00 C ATOM 1383 C LEU A 93 -4.492 -6.459 -8.626 1.00 0.00 C ATOM 1384 O LEU A 93 -4.319 -6.181 -7.440 1.00 0.00 O ATOM 1385 CB LEU A 93 -4.480 -5.134 -10.819 1.00 0.00 C ATOM 1386 CG LEU A 93 -5.091 -4.024 -11.676 1.00 0.00 C ATOM 1387 CD1 LEU A 93 -4.011 -3.293 -12.477 1.00 0.00 C ATOM 1388 CD2 LEU A 93 -6.199 -4.574 -12.577 1.00 0.00 C ATOM 0 H LEU A 93 -4.807 -3.764 -8.457 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.146 -6.019 -9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.471 -4.834 -10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.386 -6.030 -11.433 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.550 -3.292 -11.011 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.472 -2.509 -13.078 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.289 -2.848 -11.792 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.502 -4.000 -13.132 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.617 -3.764 -13.176 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.786 -5.337 -13.237 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.984 -5.012 -11.961 1.00 0.00 H new ATOM 1400 N ASP A 94 -4.062 -7.570 -9.206 1.00 0.00 N ATOM 1401 CA ASP A 94 -3.329 -8.572 -8.453 1.00 0.00 C ATOM 1402 C ASP A 94 -2.371 -9.309 -9.390 1.00 0.00 C ATOM 1403 O ASP A 94 -2.591 -10.474 -9.718 1.00 0.00 O ATOM 1404 CB ASP A 94 -4.279 -9.604 -7.841 1.00 0.00 C ATOM 1405 CG ASP A 94 -3.594 -10.814 -7.201 1.00 0.00 C ATOM 1406 OD1 ASP A 94 -2.849 -10.592 -6.221 1.00 0.00 O ATOM 1407 OD2 ASP A 94 -3.830 -11.933 -7.706 1.00 0.00 O ATOM 0 H ASP A 94 -4.208 -7.798 -10.189 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.785 -8.064 -7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.890 -9.110 -7.086 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.956 -9.958 -8.618 1.00 0.00 H new ATOM 1412 N ASP A 95 -1.328 -8.600 -9.795 1.00 0.00 N ATOM 1413 CA ASP A 95 -0.335 -9.172 -10.689 1.00 0.00 C ATOM 1414 C ASP A 95 1.063 -8.766 -10.218 1.00 0.00 C ATOM 1415 O ASP A 95 1.206 -8.070 -9.213 1.00 0.00 O ATOM 1416 CB ASP A 95 -0.520 -8.659 -12.118 1.00 0.00 C ATOM 1417 CG ASP A 95 -0.848 -9.736 -13.155 1.00 0.00 C ATOM 1418 OD1 ASP A 95 0.053 -10.560 -13.421 1.00 0.00 O ATOM 1419 OD2 ASP A 95 -1.992 -9.710 -13.657 1.00 0.00 O ATOM 0 H ASP A 95 -1.149 -7.634 -9.521 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.454 -10.255 -10.677 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.319 -7.918 -12.121 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.392 -8.146 -12.425 1.00 0.00 H new ATOM 1424 N SER A 96 2.059 -9.218 -10.966 1.00 0.00 N ATOM 1425 CA SER A 96 3.441 -8.911 -10.637 1.00 0.00 C ATOM 1426 C SER A 96 3.893 -7.661 -11.396 1.00 0.00 C ATOM 1427 O SER A 96 5.090 -7.443 -11.581 1.00 0.00 O ATOM 1428 CB SER A 96 4.359 -10.090 -10.961 1.00 0.00 C ATOM 1429 OG SER A 96 4.437 -10.337 -12.362 1.00 0.00 O ATOM 0 H SER A 96 1.937 -9.794 -11.799 1.00 0.00 H new ATOM 0 HA SER A 96 3.504 -8.721 -9.566 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.357 -9.890 -10.572 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.993 -10.984 -10.455 1.00 0.00 H new ATOM 0 HG SER A 96 5.034 -11.096 -12.528 1.00 0.00 H new ATOM 1435 N THR A 97 2.913 -6.874 -11.814 1.00 0.00 N ATOM 1436 CA THR A 97 3.196 -5.652 -12.548 1.00 0.00 C ATOM 1437 C THR A 97 2.532 -4.455 -11.866 1.00 0.00 C ATOM 1438 O THR A 97 3.148 -3.400 -11.717 1.00 0.00 O ATOM 1439 CB THR A 97 2.743 -5.855 -13.995 1.00 0.00 C ATOM 1440 OG1 THR A 97 1.415 -6.358 -13.877 1.00 0.00 O ATOM 1441 CG2 THR A 97 3.507 -6.981 -14.695 1.00 0.00 C ATOM 0 H THR A 97 1.922 -7.058 -11.659 1.00 0.00 H new ATOM 0 HA THR A 97 4.264 -5.432 -12.554 1.00 0.00 H new ATOM 0 HB THR A 97 2.876 -4.926 -14.550 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.044 -6.516 -14.770 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.147 -7.083 -15.719 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.571 -6.746 -14.706 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.348 -7.917 -14.159 1.00 0.00 H new ATOM 1449 N ALA A 98 1.284 -4.657 -11.469 1.00 0.00 N ATOM 1450 CA ALA A 98 0.529 -3.607 -10.807 1.00 0.00 C ATOM 1451 C ALA A 98 1.254 -3.197 -9.523 1.00 0.00 C ATOM 1452 O ALA A 98 0.941 -3.695 -8.443 1.00 0.00 O ATOM 1453 CB ALA A 98 -0.897 -4.092 -10.541 1.00 0.00 C ATOM 0 H ALA A 98 0.777 -5.533 -11.593 1.00 0.00 H new ATOM 0 HA ALA A 98 0.459 -2.725 -11.444 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.463 -3.304 -10.044 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.378 -4.343 -11.486 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.868 -4.975 -9.903 1.00 0.00 H new ATOM 1459 N LEU A 99 2.209 -2.292 -9.683 1.00 0.00 N ATOM 1460 CA LEU A 99 2.980 -1.810 -8.550 1.00 0.00 C ATOM 1461 C LEU A 99 2.105 -0.889 -7.698 1.00 0.00 C ATOM 1462 O LEU A 99 1.035 -0.466 -8.133 1.00 0.00 O ATOM 1463 CB LEU A 99 4.279 -1.156 -9.026 1.00 0.00 C ATOM 1464 CG LEU A 99 5.497 -2.077 -9.124 1.00 0.00 C ATOM 1465 CD1 LEU A 99 5.928 -2.565 -7.739 1.00 0.00 C ATOM 1466 CD2 LEU A 99 5.230 -3.239 -10.084 1.00 0.00 C ATOM 0 H LEU A 99 2.466 -1.880 -10.580 1.00 0.00 H new ATOM 0 HA LEU A 99 3.283 -2.642 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.102 -0.715 -10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.521 -0.338 -8.347 1.00 0.00 H new ATOM 0 HG LEU A 99 6.327 -1.503 -9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.795 -3.218 -7.837 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.187 -1.709 -7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.109 -3.116 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.111 -3.878 -10.135 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.381 -3.820 -9.725 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.008 -2.847 -11.077 1.00 0.00 H new ATOM 1478 N TYR A 100 2.592 -0.606 -6.499 1.00 0.00 N ATOM 1479 CA TYR A 100 1.867 0.257 -5.581 1.00 0.00 C ATOM 1480 C TYR A 100 2.790 0.784 -4.480 1.00 0.00 C ATOM 1481 O TYR A 100 3.596 0.036 -3.930 1.00 0.00 O ATOM 1482 CB TYR A 100 0.784 -0.617 -4.947 1.00 0.00 C ATOM 1483 CG TYR A 100 -0.337 -1.016 -5.910 1.00 0.00 C ATOM 1484 CD1 TYR A 100 -1.407 -0.169 -6.112 1.00 0.00 C ATOM 1485 CD2 TYR A 100 -0.277 -2.223 -6.576 1.00 0.00 C ATOM 1486 CE1 TYR A 100 -2.461 -0.544 -7.018 1.00 0.00 C ATOM 1487 CE2 TYR A 100 -1.331 -2.599 -7.482 1.00 0.00 C ATOM 1488 CZ TYR A 100 -2.371 -1.740 -7.658 1.00 0.00 C ATOM 1489 OH TYR A 100 -3.367 -2.095 -8.514 1.00 0.00 O ATOM 0 H TYR A 100 3.480 -0.959 -6.142 1.00 0.00 H new ATOM 0 HA TYR A 100 1.454 1.117 -6.108 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.247 -1.521 -4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.350 -0.084 -4.101 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.454 0.776 -5.590 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.561 -2.886 -6.418 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -3.304 0.110 -7.185 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.297 -3.541 -8.009 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.085 -1.918 -9.436 1.00 0.00 H new ATOM 1499 N THR A 101 2.640 2.068 -4.191 1.00 0.00 N ATOM 1500 CA THR A 101 3.449 2.704 -3.166 1.00 0.00 C ATOM 1501 C THR A 101 2.559 3.257 -2.051 1.00 0.00 C ATOM 1502 O THR A 101 1.335 3.157 -2.121 1.00 0.00 O ATOM 1503 CB THR A 101 4.313 3.772 -3.840 1.00 0.00 C ATOM 1504 OG1 THR A 101 5.221 4.179 -2.820 1.00 0.00 O ATOM 1505 CG2 THR A 101 3.525 5.042 -4.166 1.00 0.00 C ATOM 0 H THR A 101 1.970 2.685 -4.649 1.00 0.00 H new ATOM 0 HA THR A 101 4.112 1.986 -2.684 1.00 0.00 H new ATOM 0 HB THR A 101 4.743 3.366 -4.756 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.820 4.870 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.185 5.767 -4.643 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.705 4.798 -4.842 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.123 5.467 -3.246 1.00 0.00 H new ATOM 1513 N PHE A 102 3.209 3.829 -1.048 1.00 0.00 N ATOM 1514 CA PHE A 102 2.492 4.399 0.081 1.00 0.00 C ATOM 1515 C PHE A 102 2.119 5.858 -0.187 1.00 0.00 C ATOM 1516 O PHE A 102 2.937 6.630 -0.687 1.00 0.00 O ATOM 1517 CB PHE A 102 3.433 4.337 1.285 1.00 0.00 C ATOM 1518 CG PHE A 102 3.681 2.921 1.810 1.00 0.00 C ATOM 1519 CD1 PHE A 102 2.651 2.037 1.893 1.00 0.00 C ATOM 1520 CD2 PHE A 102 4.931 2.547 2.192 1.00 0.00 C ATOM 1521 CE1 PHE A 102 2.881 0.723 2.379 1.00 0.00 C ATOM 1522 CE2 PHE A 102 5.161 1.233 2.679 1.00 0.00 C ATOM 1523 CZ PHE A 102 4.132 0.349 2.762 1.00 0.00 C ATOM 0 H PHE A 102 4.224 3.910 -0.993 1.00 0.00 H new ATOM 0 HA PHE A 102 1.571 3.844 0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 102 4.388 4.784 1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 102 3.017 4.944 2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.658 2.334 1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.749 3.249 2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.063 0.021 2.445 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.154 0.936 2.983 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.307 -0.650 3.132 1.00 0.00 H new ATOM 1533 N ALA A 103 0.885 6.193 0.159 1.00 0.00 N ATOM 1534 CA ALA A 103 0.394 7.547 -0.038 1.00 0.00 C ATOM 1535 C ALA A 103 0.916 8.442 1.088 1.00 0.00 C ATOM 1536 O ALA A 103 0.593 8.228 2.256 1.00 0.00 O ATOM 1537 CB ALA A 103 -1.134 7.530 -0.109 1.00 0.00 C ATOM 0 H ALA A 103 0.210 5.551 0.574 1.00 0.00 H new ATOM 0 HA ALA A 103 0.759 7.955 -0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.503 8.545 -0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.453 6.903 -0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.537 7.129 0.821 1.00 0.00 H new