USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 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 SER OG : rot -28:sc= 0.031 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc=-0.000842 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 141:sc= 0.501 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -127:sc= -2.74! (180deg=-6.2!) USER MOD Single : A 52 ASN : amide:sc= -0.0341 X(o=-0.034,f=0.028) USER MOD Single : A 53 ASN : amide:sc=-0.00257 X(o=-0.0026,f=0.39) USER MOD Single : A 66 CYS SG : rot -79:sc= -5.97! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0424 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 9 -11.945 1.443 4.185 1.00 0.00 N ATOM 79 CA SER A 9 -11.120 0.324 3.763 1.00 0.00 C ATOM 80 C SER A 9 -12.001 -0.885 3.443 1.00 0.00 C ATOM 81 O SER A 9 -13.177 -0.914 3.806 1.00 0.00 O ATOM 82 CB SER A 9 -10.093 -0.038 4.838 1.00 0.00 C ATOM 83 OG SER A 9 -10.713 -0.412 6.065 1.00 0.00 O ATOM 0 HA SER A 9 -10.578 0.618 2.864 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.470 -0.858 4.482 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.433 0.812 5.010 1.00 0.00 H new ATOM 0 HG SER A 9 -11.582 0.034 6.141 1.00 0.00 H new ATOM 89 N LYS A 10 -11.400 -1.852 2.767 1.00 0.00 N ATOM 90 CA LYS A 10 -12.116 -3.060 2.393 1.00 0.00 C ATOM 91 C LYS A 10 -11.115 -4.199 2.190 1.00 0.00 C ATOM 92 O LYS A 10 -9.905 -3.985 2.249 1.00 0.00 O ATOM 93 CB LYS A 10 -13.008 -2.801 1.177 1.00 0.00 C ATOM 94 CG LYS A 10 -12.304 -3.214 -0.117 1.00 0.00 C ATOM 95 CD LYS A 10 -13.055 -2.688 -1.342 1.00 0.00 C ATOM 96 CE LYS A 10 -12.167 -2.724 -2.587 1.00 0.00 C ATOM 97 NZ LYS A 10 -12.637 -3.764 -3.529 1.00 0.00 N ATOM 0 H LYS A 10 -10.425 -1.824 2.468 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.790 -3.366 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.941 -3.356 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.269 -1.744 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.284 -2.830 -0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.235 -4.301 -0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.949 -3.289 -1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.388 -1.667 -1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.177 -1.750 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.135 -2.925 -2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.023 -3.775 -4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.604 -4.694 -3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.614 -3.555 -3.817 1.00 0.00 H new ATOM 111 N PRO A 11 -11.670 -5.417 1.947 1.00 0.00 N ATOM 112 CA PRO A 11 -10.839 -6.589 1.735 1.00 0.00 C ATOM 113 C PRO A 11 -10.202 -6.565 0.344 1.00 0.00 C ATOM 114 O PRO A 11 -10.902 -6.460 -0.662 1.00 0.00 O ATOM 115 CB PRO A 11 -11.769 -7.773 1.941 1.00 0.00 C ATOM 116 CG PRO A 11 -13.180 -7.224 1.802 1.00 0.00 C ATOM 117 CD PRO A 11 -13.098 -5.708 1.870 1.00 0.00 C ATOM 0 HA PRO A 11 -9.996 -6.637 2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.579 -8.552 1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.619 -8.221 2.923 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.622 -7.541 0.857 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.819 -7.608 2.597 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.549 -5.247 0.991 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.628 -5.321 2.740 1.00 0.00 H new ATOM 125 N ILE A 12 -8.880 -6.663 0.331 1.00 0.00 N ATOM 126 CA ILE A 12 -8.141 -6.653 -0.919 1.00 0.00 C ATOM 127 C ILE A 12 -7.208 -7.865 -0.964 1.00 0.00 C ATOM 128 O ILE A 12 -6.725 -8.320 0.071 1.00 0.00 O ATOM 129 CB ILE A 12 -7.421 -5.316 -1.106 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.278 -5.164 -0.101 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.407 -4.148 -1.034 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.264 -4.122 -0.578 1.00 0.00 C ATOM 0 H ILE A 12 -8.302 -6.750 1.167 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.823 -6.742 -1.765 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.978 -5.303 -2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.679 -4.870 0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.781 -6.124 0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.870 -3.209 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.155 -4.255 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.899 -4.147 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.462 -4.033 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.848 -4.432 -1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.759 -3.158 -0.692 1.00 0.00 H new ATOM 144 N LYS A 13 -6.982 -8.353 -2.175 1.00 0.00 N ATOM 145 CA LYS A 13 -6.116 -9.503 -2.369 1.00 0.00 C ATOM 146 C LYS A 13 -4.780 -9.038 -2.953 1.00 0.00 C ATOM 147 O LYS A 13 -4.751 -8.213 -3.865 1.00 0.00 O ATOM 148 CB LYS A 13 -6.819 -10.567 -3.214 1.00 0.00 C ATOM 149 CG LYS A 13 -5.845 -11.675 -3.622 1.00 0.00 C ATOM 150 CD LYS A 13 -6.224 -13.006 -2.969 1.00 0.00 C ATOM 151 CE LYS A 13 -7.284 -13.739 -3.794 1.00 0.00 C ATOM 152 NZ LYS A 13 -7.919 -14.807 -2.989 1.00 0.00 N ATOM 0 H LYS A 13 -7.384 -7.973 -3.032 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.898 -9.980 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.647 -10.996 -2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.245 -10.106 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.847 -11.784 -4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.832 -11.399 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.337 -13.632 -2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.601 -12.827 -1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.041 -13.033 -4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.827 -14.170 -4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.636 -15.295 -3.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.195 -15.490 -2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.372 -14.388 -2.152 1.00 0.00 H new ATOM 166 N VAL A 14 -3.707 -9.587 -2.403 1.00 0.00 N ATOM 167 CA VAL A 14 -2.372 -9.238 -2.858 1.00 0.00 C ATOM 168 C VAL A 14 -1.559 -10.517 -3.067 1.00 0.00 C ATOM 169 O VAL A 14 -1.255 -11.227 -2.110 1.00 0.00 O ATOM 170 CB VAL A 14 -1.719 -8.269 -1.870 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.218 -8.143 -2.137 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.401 -6.901 -1.912 1.00 0.00 C ATOM 0 H VAL A 14 -3.735 -10.271 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.418 -8.721 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.847 -8.676 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.222 -7.449 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.254 -9.120 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.058 -7.770 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.918 -6.231 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.319 -6.484 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.453 -7.011 -1.650 1.00 0.00 H new ATOM 182 N THR A 15 -1.229 -10.772 -4.325 1.00 0.00 N ATOM 183 CA THR A 15 -0.457 -11.953 -4.672 1.00 0.00 C ATOM 184 C THR A 15 1.041 -11.653 -4.593 1.00 0.00 C ATOM 185 O THR A 15 1.502 -10.634 -5.105 1.00 0.00 O ATOM 186 CB THR A 15 -0.910 -12.424 -6.055 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.165 -13.056 -5.813 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.029 -13.545 -6.610 1.00 0.00 C ATOM 0 H THR A 15 -1.482 -10.181 -5.116 1.00 0.00 H new ATOM 0 HA THR A 15 -0.632 -12.762 -3.963 1.00 0.00 H new ATOM 0 HB THR A 15 -0.902 -11.581 -6.746 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.532 -13.390 -6.658 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.394 -13.842 -7.593 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.998 -13.191 -6.696 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.063 -14.401 -5.937 1.00 0.00 H new ATOM 196 N LEU A 16 1.760 -12.559 -3.947 1.00 0.00 N ATOM 197 CA LEU A 16 3.197 -12.405 -3.794 1.00 0.00 C ATOM 198 C LEU A 16 3.871 -12.568 -5.158 1.00 0.00 C ATOM 199 O LEU A 16 3.280 -13.122 -6.084 1.00 0.00 O ATOM 200 CB LEU A 16 3.728 -13.363 -2.726 1.00 0.00 C ATOM 201 CG LEU A 16 3.287 -13.077 -1.289 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.731 -14.198 -0.347 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.785 -11.707 -0.825 1.00 0.00 C ATOM 0 H LEU A 16 1.374 -13.403 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 16 3.437 -11.403 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.416 -14.374 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.817 -13.347 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 16 2.198 -13.048 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.405 -13.971 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.287 -15.140 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.817 -14.283 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.458 -11.529 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.874 -11.682 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.379 -10.933 -1.476 1.00 0.00 H new ATOM 215 N PRO A 17 5.130 -12.062 -5.240 1.00 0.00 N ATOM 216 CA PRO A 17 5.891 -12.147 -6.475 1.00 0.00 C ATOM 217 C PRO A 17 6.410 -13.568 -6.704 1.00 0.00 C ATOM 218 O PRO A 17 7.105 -13.829 -7.685 1.00 0.00 O ATOM 219 CB PRO A 17 7.006 -11.126 -6.321 1.00 0.00 C ATOM 220 CG PRO A 17 7.108 -10.841 -4.832 1.00 0.00 C ATOM 221 CD PRO A 17 5.861 -11.399 -4.165 1.00 0.00 C ATOM 0 HA PRO A 17 5.287 -11.929 -7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.947 -11.514 -6.710 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.782 -10.216 -6.878 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.003 -11.303 -4.415 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.190 -9.769 -4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.117 -12.099 -3.370 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.266 -10.606 -3.712 1.00 0.00 H new ATOM 229 N ASP A 18 6.051 -14.450 -5.782 1.00 0.00 N ATOM 230 CA ASP A 18 6.472 -15.838 -5.870 1.00 0.00 C ATOM 231 C ASP A 18 5.293 -16.694 -6.338 1.00 0.00 C ATOM 232 O ASP A 18 5.463 -17.870 -6.656 1.00 0.00 O ATOM 233 CB ASP A 18 6.926 -16.364 -4.508 1.00 0.00 C ATOM 234 CG ASP A 18 8.411 -16.159 -4.198 1.00 0.00 C ATOM 235 OD1 ASP A 18 8.800 -14.982 -4.039 1.00 0.00 O ATOM 236 OD2 ASP A 18 9.122 -17.184 -4.127 1.00 0.00 O ATOM 0 H ASP A 18 5.473 -14.230 -4.971 1.00 0.00 H new ATOM 0 HA ASP A 18 7.303 -15.894 -6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.337 -15.875 -3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.703 -17.429 -4.454 1.00 0.00 H new ATOM 241 N GLY A 19 4.124 -16.071 -6.365 1.00 0.00 N ATOM 242 CA GLY A 19 2.918 -16.761 -6.789 1.00 0.00 C ATOM 243 C GLY A 19 1.924 -16.888 -5.633 1.00 0.00 C ATOM 244 O GLY A 19 0.713 -16.874 -5.846 1.00 0.00 O ATOM 0 H GLY A 19 3.987 -15.096 -6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.455 -16.219 -7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.174 -17.752 -7.164 1.00 0.00 H new ATOM 248 N LYS A 20 2.473 -17.009 -4.433 1.00 0.00 N ATOM 249 CA LYS A 20 1.650 -17.138 -3.243 1.00 0.00 C ATOM 250 C LYS A 20 0.627 -16.001 -3.210 1.00 0.00 C ATOM 251 O LYS A 20 0.737 -15.040 -3.970 1.00 0.00 O ATOM 252 CB LYS A 20 2.526 -17.213 -1.991 1.00 0.00 C ATOM 253 CG LYS A 20 2.093 -18.370 -1.087 1.00 0.00 C ATOM 254 CD LYS A 20 3.059 -19.551 -1.208 1.00 0.00 C ATOM 255 CE LYS A 20 3.403 -20.120 0.169 1.00 0.00 C ATOM 256 NZ LYS A 20 2.699 -21.403 0.391 1.00 0.00 N ATOM 0 H LYS A 20 3.478 -17.020 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 20 1.089 -18.072 -3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.569 -17.343 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.462 -16.274 -1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.054 -18.032 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.086 -18.690 -1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.612 -20.330 -1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.971 -19.230 -1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.480 -20.271 0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.123 -19.406 0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.944 -21.775 1.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.672 -21.249 0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.986 -22.087 -0.338 1.00 0.00 H new ATOM 270 N GLN A 21 -0.345 -16.148 -2.322 1.00 0.00 N ATOM 271 CA GLN A 21 -1.387 -15.145 -2.180 1.00 0.00 C ATOM 272 C GLN A 21 -1.558 -14.762 -0.708 1.00 0.00 C ATOM 273 O GLN A 21 -1.363 -15.590 0.179 1.00 0.00 O ATOM 274 CB GLN A 21 -2.708 -15.639 -2.774 1.00 0.00 C ATOM 275 CG GLN A 21 -2.509 -16.149 -4.203 1.00 0.00 C ATOM 276 CD GLN A 21 -3.775 -16.836 -4.721 1.00 0.00 C ATOM 277 OE1 GLN A 21 -3.977 -18.028 -4.555 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.611 -16.020 -5.356 1.00 0.00 N ATOM 0 H GLN A 21 -0.433 -16.947 -1.694 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.086 -14.256 -2.735 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.115 -16.437 -2.153 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.438 -14.829 -2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.249 -15.317 -4.857 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.674 -16.849 -4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.379 -15.032 -5.459 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.484 -16.382 -5.740 1.00 0.00 H new ATOM 287 N VAL A 22 -1.920 -13.505 -0.496 1.00 0.00 N ATOM 288 CA VAL A 22 -2.119 -13.001 0.853 1.00 0.00 C ATOM 289 C VAL A 22 -3.359 -12.106 0.880 1.00 0.00 C ATOM 290 O VAL A 22 -3.809 -11.630 -0.161 1.00 0.00 O ATOM 291 CB VAL A 22 -0.855 -12.287 1.336 1.00 0.00 C ATOM 292 CG1 VAL A 22 -0.918 -12.020 2.842 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.399 -13.085 0.973 1.00 0.00 C ATOM 0 H VAL A 22 -2.081 -12.821 -1.235 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.297 -13.823 1.546 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.799 -11.325 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.008 -11.512 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.781 -11.392 3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.011 -12.966 3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.283 -12.555 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.353 -14.068 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.456 -13.201 -0.109 1.00 0.00 H new ATOM 303 N ASP A 23 -3.877 -11.904 2.083 1.00 0.00 N ATOM 304 CA ASP A 23 -5.056 -11.074 2.260 1.00 0.00 C ATOM 305 C ASP A 23 -4.643 -9.730 2.862 1.00 0.00 C ATOM 306 O ASP A 23 -3.888 -9.686 3.832 1.00 0.00 O ATOM 307 CB ASP A 23 -6.055 -11.733 3.213 1.00 0.00 C ATOM 308 CG ASP A 23 -5.480 -12.140 4.572 1.00 0.00 C ATOM 309 OD1 ASP A 23 -5.360 -11.240 5.430 1.00 0.00 O ATOM 310 OD2 ASP A 23 -5.174 -13.343 4.721 1.00 0.00 O ATOM 0 H ASP A 23 -3.502 -12.301 2.944 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.523 -10.939 1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.885 -11.046 3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.466 -12.619 2.729 1.00 0.00 H new ATOM 315 N ALA A 24 -5.158 -8.666 2.263 1.00 0.00 N ATOM 316 CA ALA A 24 -4.852 -7.324 2.729 1.00 0.00 C ATOM 317 C ALA A 24 -6.110 -6.458 2.638 1.00 0.00 C ATOM 318 O ALA A 24 -7.121 -6.883 2.081 1.00 0.00 O ATOM 319 CB ALA A 24 -3.691 -6.752 1.912 1.00 0.00 C ATOM 0 H ALA A 24 -5.785 -8.706 1.459 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.539 -7.343 3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.461 -5.745 2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.813 -7.387 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.970 -6.716 0.859 1.00 0.00 H new ATOM 325 N GLU A 25 -6.007 -5.260 3.195 1.00 0.00 N ATOM 326 CA GLU A 25 -7.124 -4.331 3.184 1.00 0.00 C ATOM 327 C GLU A 25 -6.689 -2.985 2.600 1.00 0.00 C ATOM 328 O GLU A 25 -5.569 -2.535 2.835 1.00 0.00 O ATOM 329 CB GLU A 25 -7.706 -4.157 4.588 1.00 0.00 C ATOM 330 CG GLU A 25 -8.754 -5.231 4.884 1.00 0.00 C ATOM 331 CD GLU A 25 -9.708 -4.776 5.990 1.00 0.00 C ATOM 332 OE1 GLU A 25 -9.226 -4.644 7.136 1.00 0.00 O ATOM 333 OE2 GLU A 25 -10.898 -4.571 5.665 1.00 0.00 O ATOM 0 H GLU A 25 -5.167 -4.911 3.657 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.909 -4.744 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.906 -4.211 5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.157 -3.169 4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.320 -5.451 3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.259 -6.155 5.183 1.00 0.00 H new ATOM 340 N SER A 26 -7.598 -2.381 1.849 1.00 0.00 N ATOM 341 CA SER A 26 -7.323 -1.096 1.230 1.00 0.00 C ATOM 342 C SER A 26 -7.105 -0.031 2.307 1.00 0.00 C ATOM 343 O SER A 26 -7.803 -0.016 3.320 1.00 0.00 O ATOM 344 CB SER A 26 -8.461 -0.679 0.295 1.00 0.00 C ATOM 345 OG SER A 26 -9.721 -0.669 0.960 1.00 0.00 O ATOM 0 H SER A 26 -8.526 -2.758 1.655 1.00 0.00 H new ATOM 0 HA SER A 26 -6.416 -1.192 0.634 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.255 0.313 -0.107 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.504 -1.363 -0.552 1.00 0.00 H new ATOM 0 HG SER A 26 -10.421 -0.396 0.331 1.00 0.00 H new ATOM 351 N TRP A 27 -6.134 0.833 2.052 1.00 0.00 N ATOM 352 CA TRP A 27 -5.816 1.898 2.988 1.00 0.00 C ATOM 353 C TRP A 27 -5.664 1.277 4.378 1.00 0.00 C ATOM 354 O TRP A 27 -5.936 1.928 5.385 1.00 0.00 O ATOM 355 CB TRP A 27 -6.871 3.005 2.939 1.00 0.00 C ATOM 356 CG TRP A 27 -7.327 3.369 1.525 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.447 2.989 0.895 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.622 4.206 0.584 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.516 3.518 -0.377 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.371 4.282 -0.573 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.393 4.877 0.706 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -6.975 5.018 -1.696 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -5.011 5.609 -0.425 1.00 0.00 C ATOM 364 CH2 TRP A 27 -5.753 5.695 -1.597 1.00 0.00 C ATOM 0 H TRP A 27 -5.557 0.818 1.211 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.876 2.380 2.718 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.738 2.692 3.520 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.470 3.897 3.421 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.201 2.349 1.329 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.269 3.375 -1.050 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.791 4.832 1.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.579 5.061 -2.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.074 6.144 -0.384 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.389 6.281 -2.428 1.00 0.00 H new ATOM 375 N LYS A 28 -5.230 0.025 4.387 1.00 0.00 N ATOM 376 CA LYS A 28 -5.039 -0.691 5.637 1.00 0.00 C ATOM 377 C LYS A 28 -3.639 -1.308 5.657 1.00 0.00 C ATOM 378 O LYS A 28 -2.786 -0.897 6.442 1.00 0.00 O ATOM 379 CB LYS A 28 -6.162 -1.707 5.849 1.00 0.00 C ATOM 380 CG LYS A 28 -7.367 -1.058 6.535 1.00 0.00 C ATOM 381 CD LYS A 28 -7.134 -0.925 8.041 1.00 0.00 C ATOM 382 CE LYS A 28 -8.016 -1.903 8.820 1.00 0.00 C ATOM 383 NZ LYS A 28 -7.196 -2.710 9.752 1.00 0.00 N ATOM 0 H LYS A 28 -5.005 -0.512 3.549 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.098 -0.005 6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.466 -2.123 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.797 -2.536 6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.549 -0.074 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.260 -1.656 6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.085 -1.115 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.349 0.096 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.775 -1.353 9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.542 -2.560 8.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.809 -3.369 10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.488 -3.249 9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.714 -2.080 10.425 1.00 0.00 H new ATOM 397 N THR A 29 -3.446 -2.286 4.784 1.00 0.00 N ATOM 398 CA THR A 29 -2.164 -2.964 4.691 1.00 0.00 C ATOM 399 C THR A 29 -1.341 -2.393 3.535 1.00 0.00 C ATOM 400 O THR A 29 -1.898 -1.880 2.565 1.00 0.00 O ATOM 401 CB THR A 29 -2.432 -4.465 4.563 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.064 -4.811 5.793 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.144 -5.291 4.561 1.00 0.00 C ATOM 0 H THR A 29 -4.156 -2.625 4.135 1.00 0.00 H new ATOM 0 HA THR A 29 -1.564 -2.801 5.586 1.00 0.00 H new ATOM 0 HB THR A 29 -2.989 -4.658 3.646 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.275 -5.768 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.390 -6.349 4.468 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.519 -4.989 3.721 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.604 -5.125 5.493 1.00 0.00 H new ATOM 411 N THR A 30 -0.028 -2.502 3.675 1.00 0.00 N ATOM 412 CA THR A 30 0.878 -2.003 2.654 1.00 0.00 C ATOM 413 C THR A 30 1.778 -3.130 2.142 1.00 0.00 C ATOM 414 O THR A 30 1.727 -4.249 2.651 1.00 0.00 O ATOM 415 CB THR A 30 1.655 -0.826 3.246 1.00 0.00 C ATOM 416 OG1 THR A 30 2.845 -1.419 3.760 1.00 0.00 O ATOM 417 CG2 THR A 30 0.971 -0.234 4.480 1.00 0.00 C ATOM 0 H THR A 30 0.430 -2.929 4.480 1.00 0.00 H new ATOM 0 HA THR A 30 0.332 -1.645 1.782 1.00 0.00 H new ATOM 0 HB THR A 30 1.772 -0.051 2.489 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.606 -0.826 3.590 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.564 0.598 4.861 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.023 0.122 4.209 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.884 -1.000 5.251 1.00 0.00 H new ATOM 425 N PRO A 31 2.601 -2.787 1.116 1.00 0.00 N ATOM 426 CA PRO A 31 3.511 -3.756 0.530 1.00 0.00 C ATOM 427 C PRO A 31 4.707 -4.012 1.450 1.00 0.00 C ATOM 428 O PRO A 31 5.365 -5.045 1.345 1.00 0.00 O ATOM 429 CB PRO A 31 3.909 -3.162 -0.811 1.00 0.00 C ATOM 430 CG PRO A 31 3.580 -1.680 -0.724 1.00 0.00 C ATOM 431 CD PRO A 31 2.688 -1.471 0.489 1.00 0.00 C ATOM 0 HA PRO A 31 3.052 -4.736 0.396 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.970 -3.316 -1.007 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.362 -3.636 -1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.493 -1.091 -0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.075 -1.347 -1.631 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.113 -0.735 1.171 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.703 -1.105 0.198 1.00 0.00 H new ATOM 439 N TYR A 32 4.951 -3.052 2.330 1.00 0.00 N ATOM 440 CA TYR A 32 6.056 -3.160 3.268 1.00 0.00 C ATOM 441 C TYR A 32 5.766 -4.215 4.337 1.00 0.00 C ATOM 442 O TYR A 32 6.659 -4.964 4.733 1.00 0.00 O ATOM 443 CB TYR A 32 6.175 -1.790 3.939 1.00 0.00 C ATOM 444 CG TYR A 32 7.560 -1.500 4.519 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.681 -1.620 3.723 1.00 0.00 C ATOM 446 CD2 TYR A 32 7.689 -1.118 5.839 1.00 0.00 C ATOM 447 CE1 TYR A 32 9.985 -1.347 4.270 1.00 0.00 C ATOM 448 CE2 TYR A 32 8.993 -0.845 6.386 1.00 0.00 C ATOM 449 CZ TYR A 32 10.077 -0.973 5.574 1.00 0.00 C ATOM 450 OH TYR A 32 11.308 -0.715 6.090 1.00 0.00 O ATOM 0 H TYR A 32 4.403 -2.196 2.413 1.00 0.00 H new ATOM 0 HA TYR A 32 6.970 -3.454 2.752 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.928 -1.017 3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.436 -1.723 4.738 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.580 -1.919 2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.812 -1.024 6.462 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.870 -1.437 3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.108 -0.545 7.417 1.00 0.00 H new ATOM 0 HH TYR A 32 11.221 -0.458 7.032 1.00 0.00 H new ATOM 460 N GLN A 33 4.516 -4.241 4.774 1.00 0.00 N ATOM 461 CA GLN A 33 4.098 -5.192 5.790 1.00 0.00 C ATOM 462 C GLN A 33 4.052 -6.606 5.207 1.00 0.00 C ATOM 463 O GLN A 33 4.680 -7.521 5.738 1.00 0.00 O ATOM 464 CB GLN A 33 2.743 -4.800 6.384 1.00 0.00 C ATOM 465 CG GLN A 33 2.922 -4.000 7.676 1.00 0.00 C ATOM 466 CD GLN A 33 1.591 -3.406 8.142 1.00 0.00 C ATOM 467 OE1 GLN A 33 0.876 -3.977 8.948 1.00 0.00 O ATOM 468 NE2 GLN A 33 1.301 -2.231 7.590 1.00 0.00 N ATOM 0 H GLN A 33 3.779 -3.619 4.443 1.00 0.00 H new ATOM 0 HA GLN A 33 4.830 -5.176 6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.182 -4.208 5.660 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.157 -5.697 6.585 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.329 -4.646 8.454 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.645 -3.200 7.516 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.945 -1.809 6.921 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.434 -1.752 7.835 1.00 0.00 H new ATOM 477 N ILE A 34 3.303 -6.740 4.122 1.00 0.00 N ATOM 478 CA ILE A 34 3.168 -8.027 3.461 1.00 0.00 C ATOM 479 C ILE A 34 4.527 -8.728 3.435 1.00 0.00 C ATOM 480 O ILE A 34 4.701 -9.777 4.055 1.00 0.00 O ATOM 481 CB ILE A 34 2.539 -7.855 2.077 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.131 -7.265 2.184 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.550 -9.174 1.301 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.153 -8.010 1.273 1.00 0.00 C ATOM 0 H ILE A 34 2.784 -5.979 3.684 1.00 0.00 H new ATOM 0 HA ILE A 34 2.487 -8.671 4.018 1.00 0.00 H new ATOM 0 HB ILE A 34 3.144 -7.145 1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.787 -7.322 3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.154 -6.209 1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.097 -9.023 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.578 -9.515 1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.983 -9.925 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.840 -7.571 1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.487 -7.931 0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.114 -9.060 1.562 1.00 0.00 H new ATOM 663 N ILE A 48 11.813 -1.078 -4.269 1.00 0.00 N ATOM 664 CA ILE A 48 10.571 -0.464 -4.708 1.00 0.00 C ATOM 665 C ILE A 48 9.519 -1.553 -4.928 1.00 0.00 C ATOM 666 O ILE A 48 9.737 -2.483 -5.703 1.00 0.00 O ATOM 667 CB ILE A 48 10.813 0.415 -5.936 1.00 0.00 C ATOM 668 CG1 ILE A 48 11.377 1.779 -5.532 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.540 0.547 -6.775 1.00 0.00 C ATOM 670 CD1 ILE A 48 10.452 2.482 -4.536 1.00 0.00 C ATOM 0 HA ILE A 48 10.183 0.204 -3.939 1.00 0.00 H new ATOM 0 HB ILE A 48 11.562 -0.071 -6.561 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.365 1.651 -5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.503 2.401 -6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.739 1.177 -7.642 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.221 -0.440 -7.109 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.752 0.998 -6.172 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.876 3.449 -4.265 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.473 2.630 -4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.347 1.869 -3.641 1.00 0.00 H new ATOM 682 N ALA A 49 8.401 -1.401 -4.234 1.00 0.00 N ATOM 683 CA ALA A 49 7.315 -2.360 -4.344 1.00 0.00 C ATOM 684 C ALA A 49 6.356 -1.912 -5.449 1.00 0.00 C ATOM 685 O ALA A 49 5.993 -0.738 -5.523 1.00 0.00 O ATOM 686 CB ALA A 49 6.619 -2.501 -2.989 1.00 0.00 C ATOM 0 H ALA A 49 8.224 -0.628 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 49 7.697 -3.344 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.804 -3.220 -3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.336 -2.849 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.220 -1.534 -2.683 1.00 0.00 H new ATOM 692 N LYS A 50 5.971 -2.870 -6.279 1.00 0.00 N ATOM 693 CA LYS A 50 5.061 -2.589 -7.376 1.00 0.00 C ATOM 694 C LYS A 50 3.642 -2.994 -6.972 1.00 0.00 C ATOM 695 O LYS A 50 3.457 -3.924 -6.188 1.00 0.00 O ATOM 696 CB LYS A 50 5.549 -3.258 -8.662 1.00 0.00 C ATOM 697 CG LYS A 50 6.639 -2.423 -9.336 1.00 0.00 C ATOM 698 CD LYS A 50 7.053 -3.037 -10.674 1.00 0.00 C ATOM 699 CE LYS A 50 7.816 -2.025 -11.530 1.00 0.00 C ATOM 700 NZ LYS A 50 9.246 -2.395 -11.620 1.00 0.00 N ATOM 0 H LYS A 50 6.273 -3.842 -6.214 1.00 0.00 H new ATOM 0 HA LYS A 50 5.040 -1.520 -7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.936 -4.252 -8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.712 -3.391 -9.347 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.277 -1.407 -9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.507 -2.354 -8.680 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.677 -3.913 -10.498 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.168 -3.378 -11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.381 -1.984 -12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.719 -1.029 -11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.833 -1.583 -11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.438 -3.195 -10.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.473 -2.667 -12.598 1.00 0.00 H new ATOM 714 N VAL A 51 2.675 -2.276 -7.525 1.00 0.00 N ATOM 715 CA VAL A 51 1.279 -2.549 -7.232 1.00 0.00 C ATOM 716 C VAL A 51 0.473 -2.517 -8.533 1.00 0.00 C ATOM 717 O VAL A 51 0.101 -1.447 -9.011 1.00 0.00 O ATOM 718 CB VAL A 51 0.761 -1.562 -6.184 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.767 -1.597 -6.106 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.387 -1.837 -4.815 1.00 0.00 C ATOM 0 H VAL A 51 2.832 -1.505 -8.175 1.00 0.00 H new ATOM 0 HA VAL A 51 1.167 -3.545 -6.804 1.00 0.00 H new ATOM 0 HB VAL A 51 1.058 -0.559 -6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.109 -0.886 -5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.187 -1.329 -7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.095 -2.600 -5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.002 -1.121 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.135 -2.849 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.470 -1.737 -4.884 1.00 0.00 H new ATOM 730 N ASN A 52 0.228 -3.704 -9.068 1.00 0.00 N ATOM 731 CA ASN A 52 -0.526 -3.825 -10.304 1.00 0.00 C ATOM 732 C ASN A 52 0.399 -3.547 -11.491 1.00 0.00 C ATOM 733 O ASN A 52 -0.059 -3.138 -12.557 1.00 0.00 O ATOM 734 CB ASN A 52 -1.673 -2.814 -10.352 1.00 0.00 C ATOM 735 CG ASN A 52 -2.958 -3.465 -10.868 1.00 0.00 C ATOM 736 OD1 ASN A 52 -3.017 -3.999 -11.964 1.00 0.00 O ATOM 737 ND2 ASN A 52 -3.980 -3.392 -10.020 1.00 0.00 N ATOM 0 H ASN A 52 0.538 -4.590 -8.669 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.933 -4.835 -10.352 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.843 -2.405 -9.356 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.400 -1.979 -10.997 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.881 -3.798 -10.272 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.862 -2.931 -9.118 1.00 0.00 H new ATOM 744 N ASN A 53 1.684 -3.780 -11.266 1.00 0.00 N ATOM 745 CA ASN A 53 2.677 -3.559 -12.303 1.00 0.00 C ATOM 746 C ASN A 53 3.036 -2.073 -12.351 1.00 0.00 C ATOM 747 O ASN A 53 3.549 -1.587 -13.358 1.00 0.00 O ATOM 748 CB ASN A 53 2.137 -3.960 -13.677 1.00 0.00 C ATOM 749 CG ASN A 53 3.253 -4.516 -14.564 1.00 0.00 C ATOM 750 OD1 ASN A 53 4.357 -4.000 -14.614 1.00 0.00 O ATOM 751 ND2 ASN A 53 2.904 -5.594 -15.261 1.00 0.00 N ATOM 0 H ASN A 53 2.060 -4.120 -10.381 1.00 0.00 H new ATOM 0 HA ASN A 53 3.551 -4.166 -12.068 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.354 -4.709 -13.559 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.681 -3.095 -14.159 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.578 -6.039 -15.884 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.962 -5.976 -15.173 1.00 0.00 H new ATOM 758 N VAL A 54 2.753 -1.393 -11.250 1.00 0.00 N ATOM 759 CA VAL A 54 3.040 0.028 -11.154 1.00 0.00 C ATOM 760 C VAL A 54 3.780 0.308 -9.844 1.00 0.00 C ATOM 761 O VAL A 54 3.406 -0.211 -8.793 1.00 0.00 O ATOM 762 CB VAL A 54 1.747 0.834 -11.294 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.674 0.025 -12.025 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.244 1.305 -9.928 1.00 0.00 C ATOM 0 H VAL A 54 2.328 -1.800 -10.417 1.00 0.00 H new ATOM 0 HA VAL A 54 3.692 0.341 -11.969 1.00 0.00 H new ATOM 0 HB VAL A 54 1.966 1.718 -11.893 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.235 0.620 -12.111 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.032 -0.238 -13.021 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.460 -0.885 -11.465 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.324 1.875 -10.056 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.050 0.440 -9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.000 1.936 -9.460 1.00 0.00 H new ATOM 774 N VAL A 55 4.816 1.127 -9.949 1.00 0.00 N ATOM 775 CA VAL A 55 5.611 1.481 -8.785 1.00 0.00 C ATOM 776 C VAL A 55 4.680 1.906 -7.647 1.00 0.00 C ATOM 777 O VAL A 55 3.754 2.688 -7.857 1.00 0.00 O ATOM 778 CB VAL A 55 6.631 2.558 -9.157 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.244 3.189 -7.905 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.718 1.992 -10.073 1.00 0.00 C ATOM 0 H VAL A 55 5.123 1.556 -10.822 1.00 0.00 H new ATOM 0 HA VAL A 55 6.180 0.620 -8.435 1.00 0.00 H new ATOM 0 HB VAL A 55 6.106 3.341 -9.704 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.966 3.951 -8.198 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.457 3.646 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.747 2.420 -7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.430 2.779 -10.322 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.237 1.181 -9.563 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.262 1.613 -10.987 1.00 0.00 H new ATOM 790 N TRP A 56 4.959 1.373 -6.467 1.00 0.00 N ATOM 791 CA TRP A 56 4.159 1.687 -5.296 1.00 0.00 C ATOM 792 C TRP A 56 5.111 1.916 -4.120 1.00 0.00 C ATOM 793 O TRP A 56 6.181 1.313 -4.057 1.00 0.00 O ATOM 794 CB TRP A 56 3.128 0.589 -5.026 1.00 0.00 C ATOM 795 CG TRP A 56 1.821 1.100 -4.415 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.498 1.192 -3.118 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.669 1.587 -5.134 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.226 1.701 -2.949 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.294 1.949 -4.214 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.447 1.718 -6.516 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.544 2.466 -4.575 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.807 2.235 -6.861 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.787 2.604 -5.947 1.00 0.00 C ATOM 0 H TRP A 56 5.728 0.725 -6.297 1.00 0.00 H new ATOM 0 HA TRP A 56 3.580 2.596 -5.457 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.904 0.077 -5.962 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.566 -0.150 -4.355 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.151 0.904 -2.307 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.246 1.865 -2.060 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.186 1.441 -7.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.281 2.743 -3.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.029 2.356 -7.911 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.732 2.996 -6.294 1.00 0.00 H new ATOM 814 N ASP A 57 4.687 2.788 -3.218 1.00 0.00 N ATOM 815 CA ASP A 57 5.488 3.104 -2.047 1.00 0.00 C ATOM 816 C ASP A 57 5.233 2.056 -0.962 1.00 0.00 C ATOM 817 O ASP A 57 4.163 1.451 -0.917 1.00 0.00 O ATOM 818 CB ASP A 57 5.116 4.474 -1.478 1.00 0.00 C ATOM 819 CG ASP A 57 4.975 5.589 -2.516 1.00 0.00 C ATOM 820 OD1 ASP A 57 6.016 5.947 -3.109 1.00 0.00 O ATOM 821 OD2 ASP A 57 3.830 6.058 -2.694 1.00 0.00 O ATOM 0 H ASP A 57 3.799 3.286 -3.274 1.00 0.00 H new ATOM 0 HA ASP A 57 6.536 3.111 -2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.175 4.382 -0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.875 4.767 -0.752 1.00 0.00 H new ATOM 826 N LEU A 58 6.235 1.872 -0.114 1.00 0.00 N ATOM 827 CA LEU A 58 6.132 0.908 0.968 1.00 0.00 C ATOM 828 C LEU A 58 5.322 1.517 2.113 1.00 0.00 C ATOM 829 O LEU A 58 4.602 0.808 2.815 1.00 0.00 O ATOM 830 CB LEU A 58 7.522 0.424 1.387 1.00 0.00 C ATOM 831 CG LEU A 58 8.479 0.064 0.249 1.00 0.00 C ATOM 832 CD1 LEU A 58 9.919 0.442 0.603 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.351 -1.413 -0.129 1.00 0.00 C ATOM 0 H LEU A 58 7.122 2.374 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 58 5.596 0.019 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.987 1.200 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.403 -0.451 2.025 1.00 0.00 H new ATOM 0 HG LEU A 58 8.200 0.646 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.579 0.175 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.979 1.515 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.226 -0.095 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.042 -1.642 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.589 -2.032 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.331 -1.619 -0.453 1.00 0.00 H new ATOM 845 N ASP A 59 5.465 2.826 2.267 1.00 0.00 N ATOM 846 CA ASP A 59 4.755 3.538 3.315 1.00 0.00 C ATOM 847 C ASP A 59 3.324 3.822 2.854 1.00 0.00 C ATOM 848 O ASP A 59 2.512 4.337 3.621 1.00 0.00 O ATOM 849 CB ASP A 59 5.427 4.878 3.623 1.00 0.00 C ATOM 850 CG ASP A 59 6.956 4.843 3.651 1.00 0.00 C ATOM 851 OD1 ASP A 59 7.494 3.754 3.946 1.00 0.00 O ATOM 852 OD2 ASP A 59 7.553 5.907 3.377 1.00 0.00 O ATOM 0 H ASP A 59 6.062 3.411 1.683 1.00 0.00 H new ATOM 0 HA ASP A 59 4.763 2.916 4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.109 5.607 2.877 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.069 5.233 4.589 1.00 0.00 H new ATOM 857 N ARG A 60 3.059 3.473 1.604 1.00 0.00 N ATOM 858 CA ARG A 60 1.740 3.683 1.031 1.00 0.00 C ATOM 859 C ARG A 60 0.982 2.357 0.943 1.00 0.00 C ATOM 860 O ARG A 60 1.462 1.404 0.331 1.00 0.00 O ATOM 861 CB ARG A 60 1.838 4.301 -0.365 1.00 0.00 C ATOM 862 CG ARG A 60 0.451 4.651 -0.908 1.00 0.00 C ATOM 863 CD ARG A 60 0.498 5.929 -1.749 1.00 0.00 C ATOM 864 NE ARG A 60 -0.633 6.813 -1.389 1.00 0.00 N ATOM 865 CZ ARG A 60 -0.740 7.458 -0.220 1.00 0.00 C ATOM 866 NH1 ARG A 60 0.214 7.321 0.711 1.00 0.00 N ATOM 867 NH2 ARG A 60 -1.802 8.239 0.020 1.00 0.00 N ATOM 0 H ARG A 60 3.736 3.046 0.971 1.00 0.00 H new ATOM 0 HA ARG A 60 1.201 4.370 1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.455 5.199 -0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.332 3.604 -1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.075 3.826 -1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.245 4.782 -0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.442 6.448 -1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.452 5.679 -2.809 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.378 6.939 -2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.022 6.725 0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.132 7.812 1.601 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.529 8.342 -0.688 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.883 8.730 0.910 1.00 0.00 H new ATOM 881 N PRO A 61 -0.220 2.339 1.579 1.00 0.00 N ATOM 882 CA PRO A 61 -1.049 1.145 1.577 1.00 0.00 C ATOM 883 C PRO A 61 -1.725 0.949 0.219 1.00 0.00 C ATOM 884 O PRO A 61 -2.057 1.920 -0.459 1.00 0.00 O ATOM 885 CB PRO A 61 -2.040 1.354 2.710 1.00 0.00 C ATOM 886 CG PRO A 61 -2.033 2.846 3.001 1.00 0.00 C ATOM 887 CD PRO A 61 -0.819 3.449 2.313 1.00 0.00 C ATOM 0 HA PRO A 61 -0.474 0.232 1.732 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.036 1.017 2.424 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.751 0.783 3.592 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.949 3.311 2.636 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.991 3.025 4.075 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.106 4.259 1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.120 3.868 3.037 1.00 0.00 H new ATOM 895 N LEU A 62 -1.910 -0.314 -0.137 1.00 0.00 N ATOM 896 CA LEU A 62 -2.541 -0.650 -1.402 1.00 0.00 C ATOM 897 C LEU A 62 -3.903 0.042 -1.487 1.00 0.00 C ATOM 898 O LEU A 62 -4.371 0.622 -0.509 1.00 0.00 O ATOM 899 CB LEU A 62 -2.610 -2.168 -1.580 1.00 0.00 C ATOM 900 CG LEU A 62 -1.321 -2.937 -1.283 1.00 0.00 C ATOM 901 CD1 LEU A 62 -0.089 -2.090 -1.609 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.304 -3.442 0.161 1.00 0.00 C ATOM 0 H LEU A 62 -1.634 -1.117 0.429 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.943 -0.282 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.398 -2.554 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.908 -2.380 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.289 -3.813 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.813 -2.660 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.100 -1.823 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.101 -1.183 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.377 -3.985 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.370 -2.595 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.152 -4.107 0.324 1.00 0.00 H new ATOM 914 N GLU A 63 -4.501 -0.042 -2.667 1.00 0.00 N ATOM 915 CA GLU A 63 -5.800 0.568 -2.892 1.00 0.00 C ATOM 916 C GLU A 63 -6.871 -0.511 -3.065 1.00 0.00 C ATOM 917 O GLU A 63 -7.997 -0.353 -2.597 1.00 0.00 O ATOM 918 CB GLU A 63 -5.764 1.503 -4.103 1.00 0.00 C ATOM 919 CG GLU A 63 -5.361 2.920 -3.689 1.00 0.00 C ATOM 920 CD GLU A 63 -6.255 3.963 -4.364 1.00 0.00 C ATOM 921 OE1 GLU A 63 -7.485 3.744 -4.360 1.00 0.00 O ATOM 922 OE2 GLU A 63 -5.687 4.957 -4.867 1.00 0.00 O ATOM 0 H GLU A 63 -4.110 -0.523 -3.477 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.054 1.168 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.058 1.121 -4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.744 1.524 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.432 3.021 -2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.320 3.099 -3.958 1.00 0.00 H new ATOM 929 N GLU A 64 -6.481 -1.583 -3.738 1.00 0.00 N ATOM 930 CA GLU A 64 -7.394 -2.688 -3.978 1.00 0.00 C ATOM 931 C GLU A 64 -6.627 -3.907 -4.495 1.00 0.00 C ATOM 932 O GLU A 64 -5.424 -3.831 -4.739 1.00 0.00 O ATOM 933 CB GLU A 64 -8.501 -2.283 -4.953 1.00 0.00 C ATOM 934 CG GLU A 64 -7.939 -2.055 -6.358 1.00 0.00 C ATOM 935 CD GLU A 64 -8.939 -1.297 -7.233 1.00 0.00 C ATOM 936 OE1 GLU A 64 -10.072 -1.808 -7.372 1.00 0.00 O ATOM 937 OE2 GLU A 64 -8.549 -0.225 -7.742 1.00 0.00 O ATOM 0 H GLU A 64 -5.546 -1.710 -4.125 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.867 -2.954 -3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.265 -3.060 -4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.987 -1.373 -4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.007 -1.493 -6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.702 -3.014 -6.818 1.00 0.00 H new ATOM 944 N ASP A 65 -7.355 -5.004 -4.647 1.00 0.00 N ATOM 945 CA ASP A 65 -6.759 -6.237 -5.131 1.00 0.00 C ATOM 946 C ASP A 65 -5.771 -5.915 -6.254 1.00 0.00 C ATOM 947 O ASP A 65 -6.169 -5.448 -7.320 1.00 0.00 O ATOM 948 CB ASP A 65 -7.824 -7.180 -5.694 1.00 0.00 C ATOM 949 CG ASP A 65 -8.653 -6.605 -6.845 1.00 0.00 C ATOM 950 OD1 ASP A 65 -8.674 -5.361 -6.963 1.00 0.00 O ATOM 951 OD2 ASP A 65 -9.248 -7.423 -7.579 1.00 0.00 O ATOM 0 H ASP A 65 -8.353 -5.064 -4.443 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.257 -6.720 -4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.335 -8.092 -6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.499 -7.465 -4.887 1.00 0.00 H new ATOM 956 N CYS A 66 -4.502 -6.177 -5.976 1.00 0.00 N ATOM 957 CA CYS A 66 -3.455 -5.920 -6.950 1.00 0.00 C ATOM 958 C CYS A 66 -2.307 -6.897 -6.689 1.00 0.00 C ATOM 959 O CYS A 66 -2.364 -7.691 -5.751 1.00 0.00 O ATOM 960 CB CYS A 66 -2.987 -4.464 -6.907 1.00 0.00 C ATOM 961 SG CYS A 66 -2.391 -4.048 -5.228 1.00 0.00 S ATOM 0 H CYS A 66 -4.176 -6.564 -5.091 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.844 -6.078 -7.956 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.190 -4.308 -7.634 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.807 -3.802 -7.186 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.408 -3.815 -4.452 1.00 0.00 H new ATOM 967 N THR A 67 -1.291 -6.806 -7.534 1.00 0.00 N ATOM 968 CA THR A 67 -0.131 -7.672 -7.406 1.00 0.00 C ATOM 969 C THR A 67 0.982 -6.962 -6.634 1.00 0.00 C ATOM 970 O THR A 67 1.041 -5.733 -6.611 1.00 0.00 O ATOM 971 CB THR A 67 0.289 -8.111 -8.811 1.00 0.00 C ATOM 972 OG1 THR A 67 0.327 -6.897 -9.557 1.00 0.00 O ATOM 973 CG2 THR A 67 -0.787 -8.944 -9.510 1.00 0.00 C ATOM 0 H THR A 67 -1.247 -6.146 -8.310 1.00 0.00 H new ATOM 0 HA THR A 67 -0.367 -8.565 -6.827 1.00 0.00 H new ATOM 0 HB THR A 67 1.212 -8.687 -8.750 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.593 -7.089 -10.481 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.439 -9.229 -10.503 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.990 -9.841 -8.925 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.700 -8.356 -9.601 1.00 0.00 H new ATOM 981 N LEU A 68 1.838 -7.765 -6.019 1.00 0.00 N ATOM 982 CA LEU A 68 2.946 -7.229 -5.247 1.00 0.00 C ATOM 983 C LEU A 68 4.260 -7.796 -5.787 1.00 0.00 C ATOM 984 O LEU A 68 4.394 -9.007 -5.958 1.00 0.00 O ATOM 985 CB LEU A 68 2.733 -7.485 -3.754 1.00 0.00 C ATOM 986 CG LEU A 68 3.863 -7.033 -2.828 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.242 -5.575 -3.096 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.498 -7.270 -1.361 1.00 0.00 C ATOM 0 H LEU A 68 1.786 -8.783 -6.040 1.00 0.00 H new ATOM 0 HA LEU A 68 2.997 -6.146 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.816 -6.983 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.576 -8.554 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 68 4.743 -7.639 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.048 -5.279 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.574 -5.469 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.375 -4.937 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.319 -6.940 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.598 -6.707 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.317 -8.332 -1.198 1.00 0.00 H new ATOM 1000 N GLU A 69 5.197 -6.895 -6.041 1.00 0.00 N ATOM 1001 CA GLU A 69 6.496 -7.291 -6.558 1.00 0.00 C ATOM 1002 C GLU A 69 7.598 -6.421 -5.949 1.00 0.00 C ATOM 1003 O GLU A 69 7.633 -5.212 -6.172 1.00 0.00 O ATOM 1004 CB GLU A 69 6.523 -7.219 -8.086 1.00 0.00 C ATOM 1005 CG GLU A 69 7.842 -7.764 -8.638 1.00 0.00 C ATOM 1006 CD GLU A 69 7.861 -7.710 -10.167 1.00 0.00 C ATOM 1007 OE1 GLU A 69 6.880 -8.202 -10.764 1.00 0.00 O ATOM 1008 OE2 GLU A 69 8.857 -7.178 -10.703 1.00 0.00 O ATOM 0 H GLU A 69 5.083 -5.892 -5.898 1.00 0.00 H new ATOM 0 HA GLU A 69 6.678 -8.327 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.690 -7.790 -8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.389 -6.186 -8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.674 -7.184 -8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.982 -8.792 -8.305 1.00 0.00 H new ATOM 1015 N LEU A 70 8.470 -7.070 -5.192 1.00 0.00 N ATOM 1016 CA LEU A 70 9.570 -6.371 -4.550 1.00 0.00 C ATOM 1017 C LEU A 70 10.730 -6.237 -5.538 1.00 0.00 C ATOM 1018 O LEU A 70 11.112 -7.209 -6.188 1.00 0.00 O ATOM 1019 CB LEU A 70 9.954 -7.064 -3.241 1.00 0.00 C ATOM 1020 CG LEU A 70 8.835 -7.214 -2.208 1.00 0.00 C ATOM 1021 CD1 LEU A 70 7.801 -6.096 -2.354 1.00 0.00 C ATOM 1022 CD2 LEU A 70 8.195 -8.602 -2.290 1.00 0.00 C ATOM 0 H LEU A 70 8.437 -8.073 -5.009 1.00 0.00 H new ATOM 0 HA LEU A 70 9.269 -5.361 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.339 -8.056 -3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.771 -6.506 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 70 9.273 -7.120 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.017 -6.226 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.285 -5.131 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.363 -6.133 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.403 -8.682 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.774 -8.751 -3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.951 -9.363 -2.099 1.00 0.00 H new ATOM 1034 N LEU A 71 11.258 -5.024 -5.620 1.00 0.00 N ATOM 1035 CA LEU A 71 12.366 -4.750 -6.518 1.00 0.00 C ATOM 1036 C LEU A 71 13.681 -4.833 -5.739 1.00 0.00 C ATOM 1037 O LEU A 71 13.699 -4.639 -4.524 1.00 0.00 O ATOM 1038 CB LEU A 71 12.159 -3.414 -7.234 1.00 0.00 C ATOM 1039 CG LEU A 71 11.231 -3.441 -8.450 1.00 0.00 C ATOM 1040 CD1 LEU A 71 10.164 -4.528 -8.301 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.615 -2.064 -8.701 1.00 0.00 C ATOM 0 H LEU A 71 10.939 -4.220 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 71 12.413 -5.503 -7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.762 -2.697 -6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.132 -3.041 -7.553 1.00 0.00 H new ATOM 0 HG LEU A 71 11.826 -3.692 -9.328 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.518 -4.526 -9.179 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.646 -5.501 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.567 -4.332 -7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.960 -2.112 -9.571 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.038 -1.759 -7.828 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.408 -1.338 -8.883 1.00 0.00 H new