USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 THR OG1 : rot 173:sc= 1.21 USER MOD Set 1.2: A 69 THR OG1 : rot 82:sc= 0.138 USER MOD Set 2.1: A 17 SER OG : rot 63:sc= 0.936 USER MOD Set 2.2: A 60 SER OG : rot -74:sc= 1.05 USER MOD Single : A 14 THR OG1 : rot -130:sc= -1.06 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 21 SER OG : rot 180:sc=-0.00753 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.85 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.963! K(o=-0.96!,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00803 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -85:sc= 0.00156 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 165:sc= 0 USER MOD Single : A 71 THR OG1 : rot 4:sc= -0.519 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc=-0.00633 USER MOD Single : A 91 ASN : amide:sc= -0.565 X(o=-0.56,f=-0.7) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 119:sc= -0.169 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 9.283 2.444 -6.845 1.00 0.00 N ATOM 109 CA LEU A 8 8.396 1.254 -6.734 1.00 0.00 C ATOM 110 C LEU A 8 9.217 -0.001 -6.453 1.00 0.00 C ATOM 111 O LEU A 8 10.080 -0.364 -7.230 1.00 0.00 O ATOM 112 CB LEU A 8 7.660 1.066 -8.070 1.00 0.00 C ATOM 113 CG LEU A 8 6.872 2.339 -8.400 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.552 3.061 -9.566 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.443 1.960 -8.808 1.00 0.00 C ATOM 0 HA LEU A 8 7.692 1.410 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.375 0.851 -8.865 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.985 0.212 -8.009 1.00 0.00 H new ATOM 0 HG LEU A 8 6.844 2.990 -7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.997 3.968 -9.806 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.572 3.324 -9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.572 2.406 -10.437 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.880 2.863 -9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.474 1.313 -9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.957 1.434 -7.986 1.00 0.00 H new ATOM 127 N GLU A 9 8.937 -0.650 -5.353 1.00 0.00 N ATOM 128 CA GLU A 9 9.706 -1.879 -5.034 1.00 0.00 C ATOM 129 C GLU A 9 9.027 -2.705 -3.944 1.00 0.00 C ATOM 130 O GLU A 9 8.203 -2.206 -3.193 1.00 0.00 O ATOM 131 CB GLU A 9 11.099 -1.456 -4.533 1.00 0.00 C ATOM 132 CG GLU A 9 12.172 -2.175 -5.355 1.00 0.00 C ATOM 133 CD GLU A 9 12.070 -3.682 -5.115 1.00 0.00 C ATOM 134 OE1 GLU A 9 12.169 -4.053 -3.958 1.00 0.00 O ATOM 135 OE2 GLU A 9 11.899 -4.377 -6.103 1.00 0.00 O ATOM 0 H GLU A 9 8.222 -0.385 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 9 9.769 -2.492 -5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.218 -0.376 -4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.208 -1.702 -3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.043 -1.955 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.162 -1.817 -5.074 1.00 0.00 H new ATOM 142 N VAL A 10 9.387 -3.960 -3.890 1.00 0.00 N ATOM 143 CA VAL A 10 8.793 -4.857 -2.869 1.00 0.00 C ATOM 144 C VAL A 10 9.698 -4.918 -1.640 1.00 0.00 C ATOM 145 O VAL A 10 10.900 -5.054 -1.765 1.00 0.00 O ATOM 146 CB VAL A 10 8.683 -6.267 -3.478 1.00 0.00 C ATOM 147 CG1 VAL A 10 7.609 -7.056 -2.727 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.282 -6.149 -4.953 1.00 0.00 C ATOM 0 H VAL A 10 10.067 -4.398 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 10 7.813 -4.484 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 10 9.642 -6.779 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.527 -8.056 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.883 -7.132 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.651 -6.543 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.203 -7.145 -5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.320 -5.642 -5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.038 -5.576 -5.491 1.00 0.00 H new ATOM 158 N VAL A 11 9.115 -4.816 -0.472 1.00 0.00 N ATOM 159 CA VAL A 11 9.958 -4.870 0.757 1.00 0.00 C ATOM 160 C VAL A 11 10.097 -6.290 1.252 1.00 0.00 C ATOM 161 O VAL A 11 11.166 -6.868 1.215 1.00 0.00 O ATOM 162 CB VAL A 11 9.299 -4.024 1.864 1.00 0.00 C ATOM 163 CG1 VAL A 11 10.198 -2.827 2.180 1.00 0.00 C ATOM 164 CG2 VAL A 11 7.939 -3.518 1.387 1.00 0.00 C ATOM 0 H VAL A 11 8.113 -4.700 -0.319 1.00 0.00 H new ATOM 0 HA VAL A 11 10.946 -4.480 0.514 1.00 0.00 H new ATOM 0 HB VAL A 11 9.164 -4.635 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.738 -2.223 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.171 -3.182 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.326 -2.221 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.477 -2.921 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.071 -2.905 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.297 -4.367 1.152 1.00 0.00 H new ATOM 174 N ALA A 12 9.018 -6.824 1.711 1.00 0.00 N ATOM 175 CA ALA A 12 9.044 -8.212 2.221 1.00 0.00 C ATOM 176 C ALA A 12 7.734 -8.920 1.904 1.00 0.00 C ATOM 177 O ALA A 12 6.791 -8.307 1.432 1.00 0.00 O ATOM 178 CB ALA A 12 9.237 -8.168 3.746 1.00 0.00 C ATOM 0 H ALA A 12 8.111 -6.360 1.757 1.00 0.00 H new ATOM 0 HA ALA A 12 9.860 -8.756 1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.259 -9.184 4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.177 -7.668 3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.412 -7.620 4.201 1.00 0.00 H new ATOM 184 N ALA A 13 7.698 -10.196 2.165 1.00 0.00 N ATOM 185 CA ALA A 13 6.461 -10.964 1.886 1.00 0.00 C ATOM 186 C ALA A 13 6.220 -12.007 2.961 1.00 0.00 C ATOM 187 O ALA A 13 7.026 -12.181 3.853 1.00 0.00 O ATOM 188 CB ALA A 13 6.628 -11.672 0.536 1.00 0.00 C ATOM 0 H ALA A 13 8.469 -10.736 2.558 1.00 0.00 H new ATOM 0 HA ALA A 13 5.612 -10.281 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.728 -12.244 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.792 -10.930 -0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.484 -12.346 0.582 1.00 0.00 H new ATOM 194 N THR A 14 5.104 -12.679 2.860 1.00 0.00 N ATOM 195 CA THR A 14 4.780 -13.720 3.862 1.00 0.00 C ATOM 196 C THR A 14 4.130 -14.932 3.173 1.00 0.00 C ATOM 197 O THR A 14 3.595 -14.807 2.088 1.00 0.00 O ATOM 198 CB THR A 14 3.781 -13.118 4.862 1.00 0.00 C ATOM 199 OG1 THR A 14 3.185 -12.030 4.183 1.00 0.00 O ATOM 200 CG2 THR A 14 4.512 -12.473 6.050 1.00 0.00 C ATOM 0 H THR A 14 4.408 -12.548 2.126 1.00 0.00 H new ATOM 0 HA THR A 14 5.689 -14.047 4.366 1.00 0.00 H new ATOM 0 HB THR A 14 3.097 -13.892 5.210 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.219 -11.232 4.751 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.782 -12.055 6.743 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.108 -13.227 6.563 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.165 -11.679 5.688 1.00 0.00 H new ATOM 208 N PRO A 15 4.180 -16.096 3.817 1.00 0.00 N ATOM 209 CA PRO A 15 3.590 -17.301 3.240 1.00 0.00 C ATOM 210 C PRO A 15 2.101 -17.118 2.953 1.00 0.00 C ATOM 211 O PRO A 15 1.446 -18.023 2.476 1.00 0.00 O ATOM 212 CB PRO A 15 3.770 -18.390 4.318 1.00 0.00 C ATOM 213 CG PRO A 15 4.477 -17.726 5.538 1.00 0.00 C ATOM 214 CD PRO A 15 4.811 -16.281 5.140 1.00 0.00 C ATOM 0 HA PRO A 15 4.066 -17.551 2.292 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.805 -18.803 4.612 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.366 -19.217 3.932 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.829 -17.743 6.414 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.383 -18.272 5.801 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.419 -15.570 5.868 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.888 -16.124 5.089 1.00 0.00 H new ATOM 222 N THR A 16 1.589 -15.952 3.247 1.00 0.00 N ATOM 223 CA THR A 16 0.147 -15.711 2.993 1.00 0.00 C ATOM 224 C THR A 16 -0.147 -14.220 2.820 1.00 0.00 C ATOM 225 O THR A 16 -1.248 -13.771 3.064 1.00 0.00 O ATOM 226 CB THR A 16 -0.643 -16.239 4.199 1.00 0.00 C ATOM 227 OG1 THR A 16 0.332 -16.736 5.095 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.471 -17.472 3.808 1.00 0.00 C ATOM 0 H THR A 16 2.103 -15.167 3.647 1.00 0.00 H new ATOM 0 HA THR A 16 -0.142 -16.221 2.074 1.00 0.00 H new ATOM 0 HB THR A 16 -1.288 -15.453 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.109 -17.090 5.895 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.023 -17.830 4.677 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.172 -17.204 3.018 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.806 -18.259 3.451 1.00 0.00 H new ATOM 236 N SER A 17 0.840 -13.477 2.393 1.00 0.00 N ATOM 237 CA SER A 17 0.615 -12.021 2.206 1.00 0.00 C ATOM 238 C SER A 17 1.803 -11.360 1.514 1.00 0.00 C ATOM 239 O SER A 17 2.902 -11.869 1.548 1.00 0.00 O ATOM 240 CB SER A 17 0.429 -11.386 3.590 1.00 0.00 C ATOM 241 OG SER A 17 -0.782 -10.651 3.472 1.00 0.00 O ATOM 0 H SER A 17 1.777 -13.812 2.170 1.00 0.00 H new ATOM 0 HA SER A 17 -0.266 -11.876 1.581 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.361 -12.144 4.371 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.266 -10.737 3.847 1.00 0.00 H new ATOM 0 HG SER A 17 -1.522 -11.267 3.287 1.00 0.00 H new ATOM 247 N LEU A 18 1.548 -10.230 0.894 1.00 0.00 N ATOM 248 CA LEU A 18 2.638 -9.503 0.185 1.00 0.00 C ATOM 249 C LEU A 18 2.665 -8.045 0.619 1.00 0.00 C ATOM 250 O LEU A 18 1.635 -7.473 0.916 1.00 0.00 O ATOM 251 CB LEU A 18 2.351 -9.569 -1.331 1.00 0.00 C ATOM 252 CG LEU A 18 3.500 -8.900 -2.107 1.00 0.00 C ATOM 253 CD1 LEU A 18 4.801 -9.674 -1.873 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.173 -8.912 -3.600 1.00 0.00 C ATOM 0 H LEU A 18 0.631 -9.785 0.851 1.00 0.00 H new ATOM 0 HA LEU A 18 3.599 -9.960 0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.243 -10.607 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.409 -9.069 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 18 3.620 -7.874 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.612 -9.198 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.037 -9.676 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.681 -10.700 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.984 -8.439 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.054 -9.941 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.247 -8.364 -3.774 1.00 0.00 H new ATOM 266 N LEU A 19 3.848 -7.468 0.653 1.00 0.00 N ATOM 267 CA LEU A 19 3.957 -6.041 1.069 1.00 0.00 C ATOM 268 C LEU A 19 4.753 -5.234 0.051 1.00 0.00 C ATOM 269 O LEU A 19 5.891 -5.552 -0.251 1.00 0.00 O ATOM 270 CB LEU A 19 4.684 -5.982 2.431 1.00 0.00 C ATOM 271 CG LEU A 19 3.862 -5.144 3.426 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.474 -5.284 4.822 1.00 0.00 C ATOM 273 CD2 LEU A 19 3.902 -3.667 3.008 1.00 0.00 C ATOM 0 H LEU A 19 4.729 -7.923 0.413 1.00 0.00 H new ATOM 0 HA LEU A 19 2.955 -5.617 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.826 -6.990 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.675 -5.546 2.306 1.00 0.00 H new ATOM 0 HG LEU A 19 2.830 -5.494 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.897 -4.693 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.458 -6.331 5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.504 -4.927 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.320 -3.073 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.934 -3.317 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.480 -3.560 2.009 1.00 0.00 H new ATOM 285 N ILE A 20 4.122 -4.202 -0.468 1.00 0.00 N ATOM 286 CA ILE A 20 4.799 -3.338 -1.473 1.00 0.00 C ATOM 287 C ILE A 20 4.800 -1.897 -0.997 1.00 0.00 C ATOM 288 O ILE A 20 4.142 -1.559 -0.033 1.00 0.00 O ATOM 289 CB ILE A 20 4.034 -3.431 -2.819 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.826 -2.473 -2.843 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.516 -4.872 -2.983 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.994 -2.742 -4.103 1.00 0.00 C ATOM 0 H ILE A 20 3.168 -3.927 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 20 5.828 -3.674 -1.605 1.00 0.00 H new ATOM 0 HB ILE A 20 4.712 -3.156 -3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.215 -2.617 -1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.167 -1.438 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.974 -4.959 -3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.358 -5.564 -2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.848 -5.115 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.138 -2.067 -4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.609 -2.577 -4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.642 -3.774 -4.093 1.00 0.00 H new ATOM 304 N SER A 21 5.535 -1.072 -1.678 1.00 0.00 N ATOM 305 CA SER A 21 5.587 0.350 -1.275 1.00 0.00 C ATOM 306 C SER A 21 6.056 1.212 -2.432 1.00 0.00 C ATOM 307 O SER A 21 6.951 0.826 -3.164 1.00 0.00 O ATOM 308 CB SER A 21 6.581 0.496 -0.108 1.00 0.00 C ATOM 309 OG SER A 21 7.508 -0.561 -0.306 1.00 0.00 O ATOM 0 H SER A 21 6.098 -1.320 -2.491 1.00 0.00 H new ATOM 0 HA SER A 21 4.590 0.674 -0.974 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.075 1.467 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.079 0.410 0.856 1.00 0.00 H new ATOM 0 HG SER A 21 8.185 -0.539 0.402 1.00 0.00 H new ATOM 315 N TRP A 22 5.438 2.363 -2.590 1.00 0.00 N ATOM 316 CA TRP A 22 5.846 3.256 -3.701 1.00 0.00 C ATOM 317 C TRP A 22 5.922 4.710 -3.235 1.00 0.00 C ATOM 318 O TRP A 22 6.407 4.972 -2.150 1.00 0.00 O ATOM 319 CB TRP A 22 4.855 3.090 -4.896 1.00 0.00 C ATOM 320 CG TRP A 22 3.464 3.649 -4.571 1.00 0.00 C ATOM 321 CD1 TRP A 22 3.002 4.787 -5.054 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.558 3.048 -3.820 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.753 4.865 -4.560 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.393 3.797 -3.760 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.625 1.840 -3.142 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.314 3.346 -3.023 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.544 1.397 -2.409 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.391 2.149 -2.350 1.00 0.00 C ATOM 0 H TRP A 22 4.681 2.710 -2.001 1.00 0.00 H new ATOM 0 HA TRP A 22 6.844 2.975 -4.036 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.255 3.600 -5.772 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.770 2.034 -5.153 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.509 5.492 -5.696 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.126 5.645 -4.759 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.525 1.245 -3.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.591 3.934 -2.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.601 0.457 -1.879 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.453 1.798 -1.775 1.00 0.00 H new ATOM 415 N VAL A 29 -4.276 14.449 -4.285 1.00 0.00 N ATOM 416 CA VAL A 29 -4.799 13.360 -5.138 1.00 0.00 C ATOM 417 C VAL A 29 -6.062 12.772 -4.523 1.00 0.00 C ATOM 418 O VAL A 29 -6.079 12.421 -3.360 1.00 0.00 O ATOM 419 CB VAL A 29 -3.724 12.259 -5.233 1.00 0.00 C ATOM 420 CG1 VAL A 29 -4.247 11.114 -6.105 1.00 0.00 C ATOM 421 CG2 VAL A 29 -2.460 12.841 -5.876 1.00 0.00 C ATOM 0 HA VAL A 29 -5.037 13.752 -6.127 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.493 11.886 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.489 10.334 -6.174 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.152 10.702 -5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.472 11.490 -7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.697 12.066 -5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.696 13.208 -6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.087 13.664 -5.266 1.00 0.00 H new ATOM 431 N ARG A 30 -7.101 12.675 -5.308 1.00 0.00 N ATOM 432 CA ARG A 30 -8.361 12.112 -4.765 1.00 0.00 C ATOM 433 C ARG A 30 -8.101 10.746 -4.153 1.00 0.00 C ATOM 434 O ARG A 30 -8.219 10.567 -2.957 1.00 0.00 O ATOM 435 CB ARG A 30 -9.368 11.963 -5.915 1.00 0.00 C ATOM 436 CG ARG A 30 -9.803 13.358 -6.394 1.00 0.00 C ATOM 437 CD ARG A 30 -10.593 14.069 -5.281 1.00 0.00 C ATOM 438 NE ARG A 30 -11.757 14.775 -5.889 1.00 0.00 N ATOM 439 CZ ARG A 30 -12.900 14.154 -5.995 1.00 0.00 C ATOM 440 NH1 ARG A 30 -13.093 13.353 -7.008 1.00 0.00 N ATOM 441 NH2 ARG A 30 -13.811 14.356 -5.085 1.00 0.00 N ATOM 0 H ARG A 30 -7.129 12.958 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.755 12.777 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.918 11.407 -6.738 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.236 11.393 -5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.928 13.948 -6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.418 13.270 -7.289 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.936 13.346 -4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.952 14.780 -4.759 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.661 15.735 -6.219 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.356 13.221 -7.701 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.980 12.860 -7.106 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.624 14.990 -4.308 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.711 13.880 -5.150 1.00 0.00 H new ATOM 455 N TYR A 31 -7.752 9.802 -4.981 1.00 0.00 N ATOM 456 CA TYR A 31 -7.481 8.449 -4.451 1.00 0.00 C ATOM 457 C TYR A 31 -6.578 7.667 -5.387 1.00 0.00 C ATOM 458 O TYR A 31 -6.445 7.993 -6.554 1.00 0.00 O ATOM 459 CB TYR A 31 -8.808 7.682 -4.285 1.00 0.00 C ATOM 460 CG TYR A 31 -9.874 8.269 -5.211 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.787 8.093 -6.575 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.951 8.958 -4.692 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.762 8.602 -7.411 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.925 9.466 -5.526 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.839 9.292 -6.891 1.00 0.00 C ATOM 466 OH TYR A 31 -12.817 9.797 -7.723 1.00 0.00 O ATOM 0 H TYR A 31 -7.645 9.912 -5.989 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.982 8.557 -3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.658 6.627 -4.513 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.143 7.740 -3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.950 7.553 -6.994 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.032 9.101 -3.625 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -10.681 8.459 -8.478 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.762 10.004 -5.106 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.500 10.252 -7.187 1.00 0.00 H new ATOM 476 N TYR A 32 -5.973 6.652 -4.850 1.00 0.00 N ATOM 477 CA TYR A 32 -5.063 5.809 -5.662 1.00 0.00 C ATOM 478 C TYR A 32 -5.754 4.501 -6.026 1.00 0.00 C ATOM 479 O TYR A 32 -6.668 4.083 -5.347 1.00 0.00 O ATOM 480 CB TYR A 32 -3.822 5.504 -4.806 1.00 0.00 C ATOM 481 CG TYR A 32 -2.592 6.224 -5.383 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.517 7.605 -5.384 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.527 5.499 -5.883 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.392 8.246 -5.876 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.405 6.142 -6.374 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.331 7.519 -6.374 1.00 0.00 C ATOM 487 OH TYR A 32 0.793 8.161 -6.858 1.00 0.00 O ATOM 0 H TYR A 32 -6.071 6.368 -3.875 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.787 6.327 -6.580 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.992 5.825 -3.778 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.644 4.429 -4.779 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.341 8.187 -4.999 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.571 4.420 -5.890 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.345 9.325 -5.870 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.419 5.561 -6.760 1.00 0.00 H new ATOM 0 HH TYR A 32 1.442 7.495 -7.168 1.00 0.00 H new ATOM 497 N ARG A 33 -5.314 3.877 -7.096 1.00 0.00 N ATOM 498 CA ARG A 33 -5.953 2.590 -7.503 1.00 0.00 C ATOM 499 C ARG A 33 -4.912 1.561 -7.922 1.00 0.00 C ATOM 500 O ARG A 33 -4.265 1.702 -8.936 1.00 0.00 O ATOM 501 CB ARG A 33 -6.889 2.872 -8.683 1.00 0.00 C ATOM 502 CG ARG A 33 -7.283 1.553 -9.345 1.00 0.00 C ATOM 503 CD ARG A 33 -8.677 1.701 -9.954 1.00 0.00 C ATOM 504 NE ARG A 33 -9.682 1.728 -8.852 1.00 0.00 N ATOM 505 CZ ARG A 33 -10.932 1.463 -9.118 1.00 0.00 C ATOM 506 NH1 ARG A 33 -11.621 2.314 -9.827 1.00 0.00 N ATOM 507 NH2 ARG A 33 -11.453 0.356 -8.661 1.00 0.00 N ATOM 0 H ARG A 33 -4.553 4.199 -7.694 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.503 2.184 -6.654 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.779 3.398 -8.338 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.395 3.521 -9.406 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.561 1.288 -10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.276 0.746 -8.612 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.737 2.617 -10.542 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.883 0.873 -10.632 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.395 1.952 -7.899 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.182 3.171 -10.164 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.599 2.123 -10.044 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.885 -0.284 -8.107 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.428 0.132 -8.859 1.00 0.00 H new ATOM 521 N ILE A 34 -4.782 0.533 -7.122 1.00 0.00 N ATOM 522 CA ILE A 34 -3.793 -0.529 -7.438 1.00 0.00 C ATOM 523 C ILE A 34 -4.472 -1.753 -8.041 1.00 0.00 C ATOM 524 O ILE A 34 -5.601 -2.068 -7.721 1.00 0.00 O ATOM 525 CB ILE A 34 -3.103 -0.939 -6.135 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.444 0.281 -5.506 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.009 -1.987 -6.458 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.332 0.802 -4.377 1.00 0.00 C ATOM 0 H ILE A 34 -5.319 0.388 -6.267 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.077 -0.143 -8.163 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.836 -1.357 -5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.459 0.019 -5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.296 1.057 -6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.510 -2.287 -5.537 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.467 -2.860 -6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.279 -1.552 -7.141 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.866 1.676 -3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.307 1.078 -4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.457 0.024 -3.624 1.00 0.00 H new ATOM 540 N THR A 35 -3.757 -2.416 -8.908 1.00 0.00 N ATOM 541 CA THR A 35 -4.311 -3.629 -9.562 1.00 0.00 C ATOM 542 C THR A 35 -3.239 -4.708 -9.641 1.00 0.00 C ATOM 543 O THR A 35 -2.118 -4.423 -10.019 1.00 0.00 O ATOM 544 CB THR A 35 -4.728 -3.260 -10.993 1.00 0.00 C ATOM 545 OG1 THR A 35 -3.698 -2.423 -11.476 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.980 -2.369 -11.004 1.00 0.00 C ATOM 0 H THR A 35 -2.809 -2.167 -9.191 1.00 0.00 H new ATOM 0 HA THR A 35 -5.161 -3.997 -8.988 1.00 0.00 H new ATOM 0 HB THR A 35 -4.910 -4.171 -11.563 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.902 -2.150 -12.395 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.246 -2.128 -12.033 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.807 -2.898 -10.530 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.776 -1.449 -10.457 1.00 0.00 H new ATOM 554 N TYR A 36 -3.591 -5.930 -9.279 1.00 0.00 N ATOM 555 CA TYR A 36 -2.591 -7.018 -9.337 1.00 0.00 C ATOM 556 C TYR A 36 -3.159 -8.215 -10.073 1.00 0.00 C ATOM 557 O TYR A 36 -4.193 -8.756 -9.704 1.00 0.00 O ATOM 558 CB TYR A 36 -2.167 -7.419 -7.890 1.00 0.00 C ATOM 559 CG TYR A 36 -3.391 -7.631 -6.966 1.00 0.00 C ATOM 560 CD1 TYR A 36 -4.258 -6.589 -6.662 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.611 -8.863 -6.374 1.00 0.00 C ATOM 562 CE1 TYR A 36 -5.312 -6.785 -5.792 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.667 -9.045 -5.499 1.00 0.00 C ATOM 564 CZ TYR A 36 -5.521 -8.009 -5.206 1.00 0.00 C ATOM 565 OH TYR A 36 -6.577 -8.196 -4.332 1.00 0.00 O ATOM 0 H TYR A 36 -4.518 -6.202 -8.953 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.713 -6.667 -9.879 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.576 -8.334 -7.926 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.527 -6.643 -7.471 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.106 -5.618 -7.110 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.952 -9.689 -6.597 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.980 -5.966 -5.570 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.822 -10.011 -5.042 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.576 -9.122 -4.012 1.00 0.00 H new ATOM 575 N GLY A 37 -2.476 -8.592 -11.132 1.00 0.00 N ATOM 576 CA GLY A 37 -2.936 -9.753 -11.939 1.00 0.00 C ATOM 577 C GLY A 37 -1.750 -10.436 -12.623 1.00 0.00 C ATOM 578 O GLY A 37 -0.873 -9.784 -13.150 1.00 0.00 O ATOM 0 H GLY A 37 -1.623 -8.142 -11.465 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.453 -10.467 -11.298 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.653 -9.420 -12.689 1.00 0.00 H new ATOM 582 N GLU A 38 -1.755 -11.740 -12.601 1.00 0.00 N ATOM 583 CA GLU A 38 -0.656 -12.483 -13.234 1.00 0.00 C ATOM 584 C GLU A 38 -0.448 -12.026 -14.679 1.00 0.00 C ATOM 585 O GLU A 38 -1.192 -11.211 -15.188 1.00 0.00 O ATOM 586 CB GLU A 38 -1.044 -13.961 -13.228 1.00 0.00 C ATOM 587 CG GLU A 38 -0.976 -14.496 -11.794 1.00 0.00 C ATOM 588 CD GLU A 38 -1.775 -15.797 -11.703 1.00 0.00 C ATOM 589 OE1 GLU A 38 -1.338 -16.744 -12.335 1.00 0.00 O ATOM 590 OE2 GLU A 38 -2.779 -15.769 -11.010 1.00 0.00 O ATOM 0 H GLU A 38 -2.478 -12.315 -12.169 1.00 0.00 H new ATOM 0 HA GLU A 38 0.271 -12.308 -12.688 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.050 -14.086 -13.628 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.372 -14.528 -13.872 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.061 -14.672 -11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.378 -13.759 -11.099 1.00 0.00 H new ATOM 597 N THR A 39 0.563 -12.562 -15.314 1.00 0.00 N ATOM 598 CA THR A 39 0.833 -12.167 -16.725 1.00 0.00 C ATOM 599 C THR A 39 -0.165 -12.811 -17.681 1.00 0.00 C ATOM 600 O THR A 39 -0.811 -13.785 -17.350 1.00 0.00 O ATOM 601 CB THR A 39 2.239 -12.641 -17.103 1.00 0.00 C ATOM 602 OG1 THR A 39 3.114 -11.947 -16.240 1.00 0.00 O ATOM 603 CG2 THR A 39 2.615 -12.155 -18.510 1.00 0.00 C ATOM 0 H THR A 39 1.206 -13.249 -14.920 1.00 0.00 H new ATOM 0 HA THR A 39 0.743 -11.084 -16.804 1.00 0.00 H new ATOM 0 HB THR A 39 2.291 -13.728 -17.046 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.025 -12.289 -16.354 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.618 -12.503 -18.759 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.903 -12.551 -19.234 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.592 -11.066 -18.537 1.00 0.00 H new ATOM 664 N VAL A 45 -6.245 -10.974 -10.596 1.00 0.00 N ATOM 665 CA VAL A 45 -6.691 -11.236 -9.204 1.00 0.00 C ATOM 666 C VAL A 45 -7.746 -10.245 -8.770 1.00 0.00 C ATOM 667 O VAL A 45 -8.915 -10.574 -8.691 1.00 0.00 O ATOM 668 CB VAL A 45 -5.482 -11.128 -8.245 1.00 0.00 C ATOM 669 CG1 VAL A 45 -5.864 -11.749 -6.895 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.279 -11.872 -8.843 1.00 0.00 C ATOM 0 HA VAL A 45 -7.117 -12.239 -9.170 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.212 -10.081 -8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.019 -11.679 -6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.716 -11.213 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.129 -12.797 -7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.429 -11.794 -8.165 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.535 -12.922 -8.985 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.018 -11.429 -9.804 1.00 0.00 H new ATOM 680 N GLN A 46 -7.332 -9.051 -8.494 1.00 0.00 N ATOM 681 CA GLN A 46 -8.321 -8.037 -8.063 1.00 0.00 C ATOM 682 C GLN A 46 -7.692 -6.657 -7.933 1.00 0.00 C ATOM 683 O GLN A 46 -6.527 -6.470 -8.226 1.00 0.00 O ATOM 684 CB GLN A 46 -8.892 -8.455 -6.692 1.00 0.00 C ATOM 685 CG GLN A 46 -10.422 -8.494 -6.780 1.00 0.00 C ATOM 686 CD GLN A 46 -11.012 -8.648 -5.376 1.00 0.00 C ATOM 687 OE1 GLN A 46 -12.178 -8.393 -5.148 1.00 0.00 O ATOM 688 NE2 GLN A 46 -10.243 -9.062 -4.407 1.00 0.00 N ATOM 0 H GLN A 46 -6.364 -8.733 -8.546 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.106 -7.983 -8.817 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.506 -9.433 -6.406 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.577 -7.751 -5.922 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.793 -7.580 -7.243 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.739 -9.323 -7.412 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.263 -9.278 -4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.622 -9.170 -3.466 1.00 0.00 H new ATOM 697 N GLU A 47 -8.489 -5.712 -7.493 1.00 0.00 N ATOM 698 CA GLU A 47 -7.979 -4.323 -7.327 1.00 0.00 C ATOM 699 C GLU A 47 -8.428 -3.741 -6.003 1.00 0.00 C ATOM 700 O GLU A 47 -9.199 -4.342 -5.285 1.00 0.00 O ATOM 701 CB GLU A 47 -8.567 -3.433 -8.437 1.00 0.00 C ATOM 702 CG GLU A 47 -8.903 -4.275 -9.659 1.00 0.00 C ATOM 703 CD GLU A 47 -10.189 -5.077 -9.406 1.00 0.00 C ATOM 704 OE1 GLU A 47 -11.061 -4.519 -8.761 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.222 -6.203 -9.875 1.00 0.00 O ATOM 0 H GLU A 47 -9.469 -5.847 -7.243 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.890 -4.355 -7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.464 -2.930 -8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.853 -2.655 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.031 -3.632 -10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.079 -4.953 -9.881 1.00 0.00 H new ATOM 712 N PHE A 48 -7.944 -2.562 -5.719 1.00 0.00 N ATOM 713 CA PHE A 48 -8.320 -1.892 -4.442 1.00 0.00 C ATOM 714 C PHE A 48 -7.733 -0.492 -4.383 1.00 0.00 C ATOM 715 O PHE A 48 -6.566 -0.291 -4.663 1.00 0.00 O ATOM 716 CB PHE A 48 -7.812 -2.724 -3.230 1.00 0.00 C ATOM 717 CG PHE A 48 -6.273 -2.757 -3.166 1.00 0.00 C ATOM 718 CD1 PHE A 48 -5.535 -3.382 -4.157 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.608 -2.243 -2.064 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.166 -3.499 -4.042 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.237 -2.363 -1.955 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.520 -2.992 -2.944 1.00 0.00 C ATOM 0 H PHE A 48 -7.306 -2.035 -6.315 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.407 -1.821 -4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.206 -2.299 -2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.195 -3.742 -3.301 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.036 -3.781 -5.027 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.166 -1.745 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.601 -3.992 -4.819 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.727 -1.962 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.448 -3.087 -2.857 1.00 0.00 H new ATOM 732 N THR A 49 -8.562 0.459 -4.016 1.00 0.00 N ATOM 733 CA THR A 49 -8.081 1.862 -3.931 1.00 0.00 C ATOM 734 C THR A 49 -7.801 2.281 -2.504 1.00 0.00 C ATOM 735 O THR A 49 -8.432 1.821 -1.574 1.00 0.00 O ATOM 736 CB THR A 49 -9.167 2.783 -4.504 1.00 0.00 C ATOM 737 OG1 THR A 49 -9.272 3.856 -3.586 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.541 2.105 -4.459 1.00 0.00 C ATOM 0 H THR A 49 -9.543 0.318 -3.775 1.00 0.00 H new ATOM 0 HA THR A 49 -7.151 1.936 -4.494 1.00 0.00 H new ATOM 0 HB THR A 49 -8.911 3.060 -5.527 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.954 4.487 -3.897 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.293 2.778 -4.871 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.514 1.188 -5.048 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.795 1.866 -3.426 1.00 0.00 H new ATOM 746 N VAL A 50 -6.850 3.153 -2.369 1.00 0.00 N ATOM 747 CA VAL A 50 -6.477 3.647 -1.034 1.00 0.00 C ATOM 748 C VAL A 50 -6.139 5.140 -1.146 1.00 0.00 C ATOM 749 O VAL A 50 -5.706 5.586 -2.190 1.00 0.00 O ATOM 750 CB VAL A 50 -5.215 2.884 -0.570 1.00 0.00 C ATOM 751 CG1 VAL A 50 -5.606 1.506 -0.034 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.282 2.703 -1.763 1.00 0.00 C ATOM 0 H VAL A 50 -6.311 3.547 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.292 3.498 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.719 3.451 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.711 0.975 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.285 1.623 0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.101 0.936 -0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.388 2.166 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.792 2.134 -2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.999 3.680 -2.155 1.00 0.00 H new ATOM 762 N PRO A 51 -6.333 5.901 -0.086 1.00 0.00 N ATOM 763 CA PRO A 51 -6.029 7.319 -0.137 1.00 0.00 C ATOM 764 C PRO A 51 -4.592 7.547 -0.568 1.00 0.00 C ATOM 765 O PRO A 51 -3.673 7.074 0.066 1.00 0.00 O ATOM 766 CB PRO A 51 -6.218 7.823 1.305 1.00 0.00 C ATOM 767 CG PRO A 51 -6.665 6.607 2.164 1.00 0.00 C ATOM 768 CD PRO A 51 -6.829 5.413 1.210 1.00 0.00 C ATOM 0 HA PRO A 51 -6.668 7.838 -0.852 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.289 8.245 1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.966 8.615 1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -5.925 6.386 2.933 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.603 6.822 2.676 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.258 4.550 1.553 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.871 5.100 1.143 1.00 0.00 H new ATOM 776 N GLY A 52 -4.421 8.253 -1.647 1.00 0.00 N ATOM 777 CA GLY A 52 -3.041 8.521 -2.130 1.00 0.00 C ATOM 778 C GLY A 52 -2.138 8.983 -0.971 1.00 0.00 C ATOM 779 O GLY A 52 -0.934 9.047 -1.114 1.00 0.00 O ATOM 0 H GLY A 52 -5.170 8.653 -2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.627 7.620 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.064 9.286 -2.906 1.00 0.00 H new ATOM 783 N SER A 53 -2.736 9.290 0.160 1.00 0.00 N ATOM 784 CA SER A 53 -1.918 9.744 1.312 1.00 0.00 C ATOM 785 C SER A 53 -1.009 8.622 1.795 1.00 0.00 C ATOM 786 O SER A 53 0.089 8.864 2.256 1.00 0.00 O ATOM 787 CB SER A 53 -2.862 10.146 2.459 1.00 0.00 C ATOM 788 OG SER A 53 -2.547 11.512 2.704 1.00 0.00 O ATOM 0 H SER A 53 -3.742 9.244 0.325 1.00 0.00 H new ATOM 0 HA SER A 53 -1.304 10.590 1.002 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.908 10.022 2.177 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.696 9.533 3.345 1.00 0.00 H new ATOM 0 HG SER A 53 -3.111 11.853 3.429 1.00 0.00 H new ATOM 794 N LYS A 54 -1.485 7.414 1.682 1.00 0.00 N ATOM 795 CA LYS A 54 -0.663 6.259 2.129 1.00 0.00 C ATOM 796 C LYS A 54 0.417 5.938 1.099 1.00 0.00 C ATOM 797 O LYS A 54 0.153 5.911 -0.086 1.00 0.00 O ATOM 798 CB LYS A 54 -1.581 5.031 2.279 1.00 0.00 C ATOM 799 CG LYS A 54 -2.835 5.428 3.061 1.00 0.00 C ATOM 800 CD LYS A 54 -3.403 4.187 3.763 1.00 0.00 C ATOM 801 CE LYS A 54 -2.647 3.945 5.079 1.00 0.00 C ATOM 802 NZ LYS A 54 -3.436 4.454 6.236 1.00 0.00 N ATOM 0 H LYS A 54 -2.402 7.178 1.302 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.186 6.508 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.857 4.647 1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.054 4.230 2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.593 6.197 3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.579 5.853 2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.466 4.325 3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.311 3.316 3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.454 2.879 5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.678 4.443 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.911 4.282 7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.599 5.475 6.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.350 3.960 6.277 1.00 0.00 H new ATOM 816 N SER A 55 1.614 5.699 1.575 1.00 0.00 N ATOM 817 CA SER A 55 2.730 5.377 0.642 1.00 0.00 C ATOM 818 C SER A 55 3.060 3.889 0.674 1.00 0.00 C ATOM 819 O SER A 55 3.927 3.433 -0.046 1.00 0.00 O ATOM 820 CB SER A 55 3.971 6.163 1.090 1.00 0.00 C ATOM 821 OG SER A 55 4.460 6.754 -0.106 1.00 0.00 O ATOM 0 H SER A 55 1.863 5.713 2.564 1.00 0.00 H new ATOM 0 HA SER A 55 2.433 5.645 -0.372 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.717 6.919 1.833 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.715 5.508 1.544 1.00 0.00 H new ATOM 0 HG SER A 55 5.038 6.116 -0.573 1.00 0.00 H new ATOM 827 N THR A 56 2.361 3.160 1.513 1.00 0.00 N ATOM 828 CA THR A 56 2.617 1.693 1.612 1.00 0.00 C ATOM 829 C THR A 56 1.308 0.912 1.576 1.00 0.00 C ATOM 830 O THR A 56 0.249 1.466 1.795 1.00 0.00 O ATOM 831 CB THR A 56 3.315 1.413 2.948 1.00 0.00 C ATOM 832 OG1 THR A 56 2.419 1.872 3.939 1.00 0.00 O ATOM 833 CG2 THR A 56 4.560 2.297 3.116 1.00 0.00 C ATOM 0 H THR A 56 1.630 3.517 2.128 1.00 0.00 H new ATOM 0 HA THR A 56 3.236 1.383 0.770 1.00 0.00 H new ATOM 0 HB THR A 56 3.587 0.359 3.007 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.807 1.720 4.826 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.036 2.078 4.072 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.262 2.095 2.307 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.267 3.347 3.089 1.00 0.00 H new ATOM 841 N ALA A 57 1.398 -0.366 1.303 1.00 0.00 N ATOM 842 CA ALA A 57 0.158 -1.181 1.254 1.00 0.00 C ATOM 843 C ALA A 57 0.455 -2.667 1.439 1.00 0.00 C ATOM 844 O ALA A 57 1.574 -3.114 1.258 1.00 0.00 O ATOM 845 CB ALA A 57 -0.497 -0.977 -0.117 1.00 0.00 C ATOM 0 H ALA A 57 2.265 -0.869 1.115 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.500 -0.863 2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.411 -1.568 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.737 0.078 -0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.191 -1.296 -0.900 1.00 0.00 H new ATOM 851 N THR A 58 -0.569 -3.406 1.793 1.00 0.00 N ATOM 852 CA THR A 58 -0.396 -4.867 2.002 1.00 0.00 C ATOM 853 C THR A 58 -1.563 -5.635 1.394 1.00 0.00 C ATOM 854 O THR A 58 -2.705 -5.399 1.739 1.00 0.00 O ATOM 855 CB THR A 58 -0.368 -5.131 3.509 1.00 0.00 C ATOM 856 OG1 THR A 58 0.733 -4.394 3.995 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.014 -6.595 3.804 1.00 0.00 C ATOM 0 H THR A 58 -1.515 -3.055 1.945 1.00 0.00 H new ATOM 0 HA THR A 58 0.528 -5.195 1.526 1.00 0.00 H new ATOM 0 HB THR A 58 -1.334 -4.879 3.945 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.808 -4.519 4.964 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.001 -6.756 4.882 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.758 -7.248 3.349 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.969 -6.822 3.391 1.00 0.00 H new ATOM 865 N ILE A 59 -1.250 -6.546 0.499 1.00 0.00 N ATOM 866 CA ILE A 59 -2.321 -7.349 -0.153 1.00 0.00 C ATOM 867 C ILE A 59 -2.161 -8.828 0.181 1.00 0.00 C ATOM 868 O ILE A 59 -1.080 -9.277 0.510 1.00 0.00 O ATOM 869 CB ILE A 59 -2.205 -7.165 -1.673 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.138 -6.121 -1.994 1.00 0.00 C ATOM 871 CG2 ILE A 59 -3.561 -6.664 -2.207 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.077 -5.912 -3.508 1.00 0.00 C ATOM 0 H ILE A 59 -0.300 -6.763 0.197 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.293 -7.013 0.207 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.931 -8.113 -2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.371 -5.181 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.168 -6.449 -1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.499 -6.527 -3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.335 -7.396 -1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.810 -5.714 -1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.316 -5.167 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.825 -6.854 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.046 -5.566 -3.867 1.00 0.00 H new ATOM 884 N SER A 60 -3.244 -9.562 0.092 1.00 0.00 N ATOM 885 CA SER A 60 -3.168 -11.015 0.404 1.00 0.00 C ATOM 886 C SER A 60 -4.055 -11.833 -0.526 1.00 0.00 C ATOM 887 O SER A 60 -4.759 -11.292 -1.355 1.00 0.00 O ATOM 888 CB SER A 60 -3.652 -11.222 1.845 1.00 0.00 C ATOM 889 OG SER A 60 -2.564 -11.869 2.488 1.00 0.00 O ATOM 0 H SER A 60 -4.165 -9.219 -0.180 1.00 0.00 H new ATOM 0 HA SER A 60 -2.137 -11.346 0.275 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.891 -10.273 2.325 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.554 -11.832 1.878 1.00 0.00 H new ATOM 0 HG SER A 60 -2.519 -12.803 2.194 1.00 0.00 H new ATOM 895 N GLY A 61 -4.002 -13.133 -0.367 1.00 0.00 N ATOM 896 CA GLY A 61 -4.835 -14.016 -1.231 1.00 0.00 C ATOM 897 C GLY A 61 -4.239 -14.094 -2.636 1.00 0.00 C ATOM 898 O GLY A 61 -4.893 -13.761 -3.605 1.00 0.00 O ATOM 0 H GLY A 61 -3.421 -13.615 0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.892 -15.014 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.854 -13.632 -1.281 1.00 0.00 H new ATOM 902 N LEU A 62 -3.002 -14.530 -2.712 1.00 0.00 N ATOM 903 CA LEU A 62 -2.333 -14.640 -4.038 1.00 0.00 C ATOM 904 C LEU A 62 -1.678 -16.017 -4.213 1.00 0.00 C ATOM 905 O LEU A 62 -2.315 -17.036 -4.026 1.00 0.00 O ATOM 906 CB LEU A 62 -1.253 -13.543 -4.121 1.00 0.00 C ATOM 907 CG LEU A 62 -0.323 -13.650 -2.900 1.00 0.00 C ATOM 908 CD1 LEU A 62 1.135 -13.524 -3.353 1.00 0.00 C ATOM 909 CD2 LEU A 62 -0.645 -12.517 -1.923 1.00 0.00 C ATOM 0 H LEU A 62 -2.433 -14.812 -1.913 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.074 -14.518 -4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.678 -13.652 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.720 -12.559 -4.151 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.471 -14.614 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.793 -13.600 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.368 -14.323 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.283 -12.559 -3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.011 -12.587 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.493 -11.557 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.683 -12.599 -1.601 1.00 0.00 H new ATOM 921 N LYS A 63 -0.415 -16.019 -4.566 1.00 0.00 N ATOM 922 CA LYS A 63 0.299 -17.308 -4.760 1.00 0.00 C ATOM 923 C LYS A 63 1.820 -17.046 -4.986 1.00 0.00 C ATOM 924 O LYS A 63 2.222 -16.707 -6.080 1.00 0.00 O ATOM 925 CB LYS A 63 -0.275 -17.983 -6.023 1.00 0.00 C ATOM 926 CG LYS A 63 -0.036 -19.495 -5.935 1.00 0.00 C ATOM 927 CD LYS A 63 -1.253 -20.172 -5.273 1.00 0.00 C ATOM 928 CE LYS A 63 -2.471 -20.111 -6.217 1.00 0.00 C ATOM 929 NZ LYS A 63 -3.126 -21.448 -6.310 1.00 0.00 N ATOM 0 H LYS A 63 0.146 -15.183 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 63 0.170 -17.939 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.342 -17.775 -6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.202 -17.578 -6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.125 -19.907 -6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.865 -19.698 -5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.018 -21.210 -5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.488 -19.676 -4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.186 -19.374 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.155 -19.784 -7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.944 -21.390 -6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.446 -22.143 -6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.445 -21.745 -5.366 1.00 0.00 H new ATOM 943 N PRO A 64 2.653 -17.207 -3.940 1.00 0.00 N ATOM 944 CA PRO A 64 4.095 -16.974 -4.082 1.00 0.00 C ATOM 945 C PRO A 64 4.737 -17.923 -5.091 1.00 0.00 C ATOM 946 O PRO A 64 4.299 -19.041 -5.266 1.00 0.00 O ATOM 947 CB PRO A 64 4.683 -17.235 -2.677 1.00 0.00 C ATOM 948 CG PRO A 64 3.492 -17.555 -1.726 1.00 0.00 C ATOM 949 CD PRO A 64 2.224 -17.628 -2.592 1.00 0.00 C ATOM 0 HA PRO A 64 4.288 -15.966 -4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.387 -18.067 -2.704 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.233 -16.363 -2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.658 -18.499 -1.207 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.392 -16.784 -0.962 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.814 -18.638 -2.606 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.444 -16.973 -2.204 1.00 0.00 H new ATOM 957 N GLY A 65 5.772 -17.447 -5.738 1.00 0.00 N ATOM 958 CA GLY A 65 6.468 -18.301 -6.745 1.00 0.00 C ATOM 959 C GLY A 65 5.775 -18.214 -8.109 1.00 0.00 C ATOM 960 O GLY A 65 5.390 -19.220 -8.673 1.00 0.00 O ATOM 0 H GLY A 65 6.161 -16.512 -5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.507 -17.985 -6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.480 -19.336 -6.404 1.00 0.00 H new ATOM 964 N VAL A 66 5.625 -17.016 -8.612 1.00 0.00 N ATOM 965 CA VAL A 66 4.962 -16.863 -9.930 1.00 0.00 C ATOM 966 C VAL A 66 5.126 -15.442 -10.461 1.00 0.00 C ATOM 967 O VAL A 66 5.252 -14.498 -9.700 1.00 0.00 O ATOM 968 CB VAL A 66 3.462 -17.154 -9.743 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.798 -15.955 -9.064 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.809 -17.386 -11.111 1.00 0.00 C ATOM 0 H VAL A 66 5.931 -16.149 -8.169 1.00 0.00 H new ATOM 0 HA VAL A 66 5.415 -17.552 -10.643 1.00 0.00 H new ATOM 0 HB VAL A 66 3.338 -18.044 -9.126 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.735 -16.156 -8.929 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.261 -15.785 -8.092 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.924 -15.069 -9.686 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.747 -17.592 -10.977 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.931 -16.496 -11.728 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.284 -18.235 -11.602 1.00 0.00 H new ATOM 980 N ASP A 67 5.140 -15.316 -11.762 1.00 0.00 N ATOM 981 CA ASP A 67 5.292 -13.971 -12.357 1.00 0.00 C ATOM 982 C ASP A 67 4.115 -13.105 -11.957 1.00 0.00 C ATOM 983 O ASP A 67 3.036 -13.609 -11.711 1.00 0.00 O ATOM 984 CB ASP A 67 5.307 -14.109 -13.887 1.00 0.00 C ATOM 985 CG ASP A 67 5.759 -12.787 -14.512 1.00 0.00 C ATOM 986 OD1 ASP A 67 6.187 -11.942 -13.742 1.00 0.00 O ATOM 987 OD2 ASP A 67 5.650 -12.697 -15.724 1.00 0.00 O ATOM 0 H ASP A 67 5.053 -16.084 -12.428 1.00 0.00 H new ATOM 0 HA ASP A 67 6.218 -13.516 -12.006 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.980 -14.913 -14.184 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.314 -14.374 -14.249 1.00 0.00 H new ATOM 992 N TYR A 68 4.327 -11.819 -11.894 1.00 0.00 N ATOM 993 CA TYR A 68 3.214 -10.935 -11.508 1.00 0.00 C ATOM 994 C TYR A 68 3.294 -9.586 -12.199 1.00 0.00 C ATOM 995 O TYR A 68 4.357 -9.009 -12.326 1.00 0.00 O ATOM 996 CB TYR A 68 3.300 -10.718 -10.004 1.00 0.00 C ATOM 997 CG TYR A 68 2.075 -11.336 -9.343 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.842 -10.733 -9.452 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.186 -12.511 -8.632 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.264 -11.298 -8.861 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.080 -13.077 -8.039 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.155 -12.475 -8.148 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.265 -13.039 -7.554 1.00 0.00 O ATOM 0 H TYR A 68 5.214 -11.355 -12.092 1.00 0.00 H new ATOM 0 HA TYR A 68 2.275 -11.403 -11.802 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.209 -11.171 -9.610 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.352 -9.653 -9.780 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.743 -9.811 -10.005 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.149 -12.992 -8.539 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.226 -10.817 -8.956 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.181 -13.999 -7.485 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.067 -13.966 -7.305 1.00 0.00 H new ATOM 1013 N THR A 69 2.151 -9.109 -12.629 1.00 0.00 N ATOM 1014 CA THR A 69 2.100 -7.796 -13.318 1.00 0.00 C ATOM 1015 C THR A 69 1.348 -6.795 -12.458 1.00 0.00 C ATOM 1016 O THR A 69 0.139 -6.880 -12.314 1.00 0.00 O ATOM 1017 CB THR A 69 1.353 -7.973 -14.643 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.388 -9.360 -14.908 1.00 0.00 O ATOM 1019 CG2 THR A 69 2.139 -7.338 -15.801 1.00 0.00 C ATOM 0 H THR A 69 1.252 -9.580 -12.529 1.00 0.00 H new ATOM 0 HA THR A 69 3.112 -7.432 -13.494 1.00 0.00 H new ATOM 0 HB THR A 69 0.359 -7.533 -14.569 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.675 -9.807 -14.405 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.590 -7.476 -16.732 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.270 -6.273 -15.611 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.116 -7.815 -15.882 1.00 0.00 H new ATOM 1027 N ILE A 70 2.073 -5.867 -11.894 1.00 0.00 N ATOM 1028 CA ILE A 70 1.418 -4.851 -11.036 1.00 0.00 C ATOM 1029 C ILE A 70 1.109 -3.590 -11.821 1.00 0.00 C ATOM 1030 O ILE A 70 1.713 -3.321 -12.841 1.00 0.00 O ATOM 1031 CB ILE A 70 2.374 -4.493 -9.897 1.00 0.00 C ATOM 1032 CG1 ILE A 70 3.613 -3.807 -10.458 1.00 0.00 C ATOM 1033 CG2 ILE A 70 2.805 -5.789 -9.191 1.00 0.00 C ATOM 1034 CD1 ILE A 70 3.540 -2.307 -10.155 1.00 0.00 C ATOM 0 H ILE A 70 3.084 -5.772 -11.992 1.00 0.00 H new ATOM 0 HA ILE A 70 0.483 -5.262 -10.655 1.00 0.00 H new ATOM 0 HB ILE A 70 1.873 -3.823 -9.198 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.512 -4.236 -10.016 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.678 -3.970 -11.534 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.488 -5.549 -8.376 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.926 -6.295 -8.792 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.307 -6.442 -9.905 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.425 -1.812 -10.555 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.648 -1.885 -10.618 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.495 -2.155 -9.077 1.00 0.00 H new ATOM 1046 N THR A 71 0.172 -2.835 -11.330 1.00 0.00 N ATOM 1047 CA THR A 71 -0.191 -1.589 -12.030 1.00 0.00 C ATOM 1048 C THR A 71 -0.885 -0.635 -11.084 1.00 0.00 C ATOM 1049 O THR A 71 -1.664 -1.051 -10.250 1.00 0.00 O ATOM 1050 CB THR A 71 -1.143 -1.939 -13.176 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.315 -2.388 -14.224 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.821 -0.678 -13.734 1.00 0.00 C ATOM 0 H THR A 71 -0.353 -3.030 -10.478 1.00 0.00 H new ATOM 0 HA THR A 71 0.712 -1.110 -12.410 1.00 0.00 H new ATOM 0 HB THR A 71 -1.891 -2.651 -12.827 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.616 -2.410 -13.919 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.492 -0.955 -14.547 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.391 -0.191 -12.943 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.061 0.008 -14.109 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.584 0.634 -11.228 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.226 1.642 -10.334 1.00 0.00 C ATOM 1062 C VAL A 72 -1.766 2.810 -11.138 1.00 0.00 C ATOM 1063 O VAL A 72 -1.136 3.281 -12.080 1.00 0.00 O ATOM 1064 CB VAL A 72 -0.186 2.157 -9.311 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.282 0.990 -8.439 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.015 2.744 -10.039 1.00 0.00 C ATOM 0 H VAL A 72 0.069 1.009 -11.916 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.057 1.166 -9.813 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.645 2.928 -8.692 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.015 1.347 -7.716 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.572 0.565 -7.911 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.736 0.225 -9.068 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.742 3.104 -9.311 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.475 1.976 -10.661 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.690 3.573 -10.667 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.939 3.248 -10.749 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.587 4.381 -11.444 1.00 0.00 C ATOM 1078 C TYR A 73 -3.823 5.546 -10.486 1.00 0.00 C ATOM 1079 O TYR A 73 -4.714 5.500 -9.657 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.953 3.897 -11.974 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.819 3.451 -13.428 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.100 2.317 -13.750 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.414 4.173 -14.442 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -3.977 1.914 -15.064 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.291 3.771 -15.756 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.572 2.637 -16.077 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.451 2.233 -17.392 1.00 0.00 O ATOM 0 H TYR A 73 -3.472 2.859 -9.971 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.941 4.721 -12.254 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.318 3.071 -11.363 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.687 4.699 -11.897 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.630 1.741 -12.967 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.981 5.061 -14.205 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.410 1.026 -15.301 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.761 4.348 -16.539 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.934 2.858 -17.972 1.00 0.00 H new ATOM 1097 N ALA A 74 -3.012 6.563 -10.607 1.00 0.00 N ATOM 1098 CA ALA A 74 -3.177 7.737 -9.716 1.00 0.00 C ATOM 1099 C ALA A 74 -4.273 8.643 -10.258 1.00 0.00 C ATOM 1100 O ALA A 74 -4.142 9.184 -11.340 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.854 8.517 -9.689 1.00 0.00 C ATOM 0 H ALA A 74 -2.249 6.628 -11.281 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.446 7.405 -8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.957 9.385 -9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.059 7.873 -9.312 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.606 8.847 -10.698 1.00 0.00 H new ATOM 1107 N VAL A 75 -5.334 8.794 -9.498 1.00 0.00 N ATOM 1108 CA VAL A 75 -6.452 9.665 -9.961 1.00 0.00 C ATOM 1109 C VAL A 75 -6.551 10.948 -9.143 1.00 0.00 C ATOM 1110 O VAL A 75 -6.935 10.926 -7.985 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.760 8.882 -9.805 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.940 9.810 -10.093 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.772 7.724 -10.807 1.00 0.00 C ATOM 0 H VAL A 75 -5.469 8.355 -8.587 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.268 9.943 -10.999 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.839 8.493 -8.790 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.873 9.257 -9.983 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.927 10.643 -9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.862 10.192 -11.111 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.700 7.162 -10.702 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.699 8.119 -11.820 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.925 7.066 -10.613 1.00 0.00 H new ATOM 1123 N THR A 76 -6.203 12.044 -9.768 1.00 0.00 N ATOM 1124 CA THR A 76 -6.263 13.350 -9.069 1.00 0.00 C ATOM 1125 C THR A 76 -7.518 14.107 -9.487 1.00 0.00 C ATOM 1126 O THR A 76 -8.350 13.580 -10.199 1.00 0.00 O ATOM 1127 CB THR A 76 -5.032 14.169 -9.472 1.00 0.00 C ATOM 1128 OG1 THR A 76 -5.360 14.749 -10.718 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.841 13.250 -9.776 1.00 0.00 C ATOM 0 H THR A 76 -5.880 12.084 -10.735 1.00 0.00 H new ATOM 0 HA THR A 76 -6.285 13.190 -7.991 1.00 0.00 H new ATOM 0 HB THR A 76 -4.780 14.872 -8.678 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.608 15.292 -11.034 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.979 13.854 -10.060 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.598 12.664 -8.890 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.099 12.579 -10.595 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.077 7.012 -15.535 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.994 5.656 -15.001 1.00 0.00 C ATOM 1268 C PRO A 87 0.169 4.888 -15.605 1.00 0.00 C ATOM 1269 O PRO A 87 0.726 5.290 -16.606 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.317 4.989 -15.409 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.223 6.096 -16.027 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.350 7.349 -16.197 1.00 0.00 C ATOM 0 HA PRO A 87 -0.835 5.667 -13.923 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.139 4.191 -16.130 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.801 4.535 -14.544 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.625 5.773 -16.987 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.074 6.304 -15.379 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.198 7.586 -17.250 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.816 8.221 -15.738 1.00 0.00 H new ATOM 1280 N ILE A 88 0.522 3.792 -14.986 1.00 0.00 N ATOM 1281 CA ILE A 88 1.648 3.001 -15.528 1.00 0.00 C ATOM 1282 C ILE A 88 1.603 1.571 -15.024 1.00 0.00 C ATOM 1283 O ILE A 88 1.015 1.290 -13.997 1.00 0.00 O ATOM 1284 CB ILE A 88 2.960 3.645 -15.079 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.097 3.172 -15.977 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.259 3.208 -13.633 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.413 3.790 -15.499 1.00 0.00 C ATOM 0 H ILE A 88 0.084 3.421 -14.143 1.00 0.00 H new ATOM 0 HA ILE A 88 1.574 2.986 -16.615 1.00 0.00 H new ATOM 0 HB ILE A 88 2.872 4.730 -15.139 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.164 2.084 -15.955 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.902 3.458 -17.010 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.193 3.661 -13.302 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.448 3.530 -12.980 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.348 2.122 -13.592 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.227 3.453 -16.140 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.342 4.877 -15.544 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.608 3.481 -14.472 1.00 0.00 H new ATOM 1299 N SER A 89 2.224 0.690 -15.767 1.00 0.00 N ATOM 1300 CA SER A 89 2.240 -0.735 -15.363 1.00 0.00 C ATOM 1301 C SER A 89 3.638 -1.315 -15.505 1.00 0.00 C ATOM 1302 O SER A 89 4.366 -0.963 -16.413 1.00 0.00 O ATOM 1303 CB SER A 89 1.294 -1.514 -16.293 1.00 0.00 C ATOM 1304 OG SER A 89 1.916 -1.430 -17.568 1.00 0.00 O ATOM 0 H SER A 89 2.718 0.902 -16.634 1.00 0.00 H new ATOM 0 HA SER A 89 1.925 -0.814 -14.323 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.182 -2.549 -15.971 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.297 -1.075 -16.306 1.00 0.00 H new ATOM 0 HG SER A 89 1.373 -1.908 -18.229 1.00 0.00 H new ATOM 1310 N ILE A 90 3.991 -2.189 -14.599 1.00 0.00 N ATOM 1311 CA ILE A 90 5.340 -2.806 -14.664 1.00 0.00 C ATOM 1312 C ILE A 90 5.271 -4.291 -14.337 1.00 0.00 C ATOM 1313 O ILE A 90 4.353 -4.746 -13.675 1.00 0.00 O ATOM 1314 CB ILE A 90 6.246 -2.125 -13.637 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.771 -0.702 -13.374 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.669 -2.063 -14.214 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.813 0.017 -12.516 1.00 0.00 C ATOM 0 H ILE A 90 3.405 -2.498 -13.823 1.00 0.00 H new ATOM 0 HA ILE A 90 5.732 -2.681 -15.673 1.00 0.00 H new ATOM 0 HB ILE A 90 6.223 -2.689 -12.705 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.628 -0.172 -14.316 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.807 -0.714 -12.865 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.332 -1.580 -13.496 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.025 -3.074 -14.414 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.661 -1.491 -15.142 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.483 1.037 -12.322 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.933 -0.512 -11.571 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.767 0.039 -13.044 1.00 0.00 H new ATOM 1329 N ASN A 91 6.248 -5.017 -14.805 1.00 0.00 N ATOM 1330 CA ASN A 91 6.273 -6.472 -14.543 1.00 0.00 C ATOM 1331 C ASN A 91 7.201 -6.794 -13.378 1.00 0.00 C ATOM 1332 O ASN A 91 8.205 -6.139 -13.184 1.00 0.00 O ATOM 1333 CB ASN A 91 6.808 -7.166 -15.801 1.00 0.00 C ATOM 1334 CG ASN A 91 7.484 -6.129 -16.702 1.00 0.00 C ATOM 1335 OD1 ASN A 91 6.845 -5.473 -17.501 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.773 -5.950 -16.604 1.00 0.00 N ATOM 0 H ASN A 91 7.028 -4.660 -15.357 1.00 0.00 H new ATOM 0 HA ASN A 91 5.268 -6.814 -14.294 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.519 -7.945 -15.526 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.993 -7.653 -16.336 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.239 -5.262 -17.196 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.315 -6.498 -15.935 1.00 0.00 H new ATOM 1343 N TYR A 92 6.849 -7.797 -12.624 1.00 0.00 N ATOM 1344 CA TYR A 92 7.703 -8.171 -11.471 1.00 0.00 C ATOM 1345 C TYR A 92 7.536 -9.642 -11.133 1.00 0.00 C ATOM 1346 O TYR A 92 6.457 -10.189 -11.252 1.00 0.00 O ATOM 1347 CB TYR A 92 7.280 -7.334 -10.252 1.00 0.00 C ATOM 1348 CG TYR A 92 8.307 -7.525 -9.128 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.265 -8.646 -8.322 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.285 -6.578 -8.904 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.187 -8.814 -7.308 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.207 -6.750 -7.891 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.164 -7.868 -7.084 1.00 0.00 C ATOM 1354 OH TYR A 92 11.084 -8.040 -6.071 1.00 0.00 O ATOM 0 H TYR A 92 6.014 -8.368 -12.757 1.00 0.00 H new ATOM 0 HA TYR A 92 8.745 -7.984 -11.729 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.213 -6.281 -10.525 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.290 -7.639 -9.912 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.506 -9.396 -8.486 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.330 -5.696 -9.526 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.142 -9.695 -6.685 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.969 -6.002 -7.729 1.00 0.00 H new ATOM 0 HH TYR A 92 11.700 -7.278 -6.056 1.00 0.00 H new ATOM 1364 N ARG A 93 8.613 -10.256 -10.719 1.00 0.00 N ATOM 1365 CA ARG A 93 8.552 -11.696 -10.362 1.00 0.00 C ATOM 1366 C ARG A 93 8.533 -11.860 -8.852 1.00 0.00 C ATOM 1367 O ARG A 93 9.468 -11.471 -8.179 1.00 0.00 O ATOM 1368 CB ARG A 93 9.802 -12.385 -10.929 1.00 0.00 C ATOM 1369 CG ARG A 93 9.921 -12.047 -12.420 1.00 0.00 C ATOM 1370 CD ARG A 93 10.905 -10.884 -12.609 1.00 0.00 C ATOM 1371 NE ARG A 93 10.588 -10.192 -13.893 1.00 0.00 N ATOM 1372 CZ ARG A 93 11.538 -9.569 -14.540 1.00 0.00 C ATOM 1373 NH1 ARG A 93 12.543 -10.259 -15.003 1.00 0.00 N ATOM 1374 NH2 ARG A 93 11.448 -8.276 -14.699 1.00 0.00 N ATOM 0 H ARG A 93 9.529 -9.820 -10.614 1.00 0.00 H new ATOM 0 HA ARG A 93 7.646 -12.140 -10.775 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.692 -12.052 -10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.733 -13.464 -10.791 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.264 -12.920 -12.975 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.944 -11.778 -12.821 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.830 -10.186 -11.775 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.930 -11.255 -12.623 1.00 0.00 H new ATOM 0 HE ARG A 93 9.637 -10.205 -14.263 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.579 -11.268 -14.858 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.293 -9.790 -15.510 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.647 -7.770 -14.321 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.179 -7.772 -15.201 1.00 0.00 H new ATOM 1388 N THR A 94 7.469 -12.446 -8.346 1.00 0.00 N ATOM 1389 CA THR A 94 7.367 -12.645 -6.871 1.00 0.00 C ATOM 1390 C THR A 94 7.263 -14.126 -6.530 1.00 0.00 C ATOM 1391 O THR A 94 6.228 -14.684 -6.854 1.00 0.00 O ATOM 1392 CB THR A 94 6.096 -11.938 -6.381 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.436 -11.508 -7.553 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.438 -10.634 -5.627 1.00 0.00 C ATOM 1395 OXT THR A 94 8.223 -14.620 -5.962 1.00 0.00 O ATOM 0 H THR A 94 6.677 -12.790 -8.889 1.00 0.00 H new ATOM 0 HA THR A 94 8.258 -12.238 -6.392 1.00 0.00 H new ATOM 0 HB THR A 94 5.528 -12.609 -5.736 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.557 -11.938 -7.610 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.518 -10.155 -5.292 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.062 -10.866 -4.764 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.976 -9.959 -6.293 1.00 0.00 H new