USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1151 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 72 SER OG : rot -124:sc= 1.05 USER MOD Set 1.2: A 73 ASN : amide:sc= -0.254 X(o=0.8,f=0.91) USER MOD Set 2.1: A 28 GLN :FLIP amide:sc= -0.676 F(o=-3.2,f=-0.68) USER MOD Set 2.2: A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 130:sc= -0.189 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.89!) USER MOD Single : A 20 MET CE :methyl -178:sc= 0 (180deg=-0.006) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.122 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -149:sc= -0.707 (180deg=-2.36!) USER MOD Single : A 60 SER OG : rot -105:sc= 0.505 USER MOD Single : A 62 CYS SG : rot -124:sc= 0.709 USER MOD Single : A 64 LYS NZ :NH3+ 144:sc= 0.639 (180deg=-2.57) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 MET CE :methyl -150:sc= 0 (180deg=-0.26) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 73:sc= 1.11 USER MOD Single : A 119 LYS NZ :NH3+ -163:sc= -2.12 (180deg=-2.54) USER MOD Single : A 123 LYS NZ :NH3+ -160:sc= -0.103 (180deg=-0.699) USER MOD Single : A 126 CYS SG : rot 180:sc=0.000397 USER MOD Single : A 127 THR OG1 : rot 4:sc= 0.315 USER MOD Single : A 128 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.363) USER MOD Single : A 135 THR OG1 : rot 86:sc= 0.229 USER MOD Single : A 140 THR OG1 : rot 78:sc= 0.999 USER MOD Single : A 153 GLN : amide:sc= -1.15 K(o=-1.2,f=-3.3!) USER MOD Single : A 155 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.44) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 THR OG1 : rot -22:sc= 0.213 USER MOD Single : A 182 THR OG1 : rot 78:sc= -0.461 USER MOD Single : A 184 SER OG : rot 157:sc= 0.162 USER MOD Single : A 186 THR OG1 : rot -22:sc= 0.408 USER MOD ----------------------------------------------------------------- ATOM 176 N SER A 15 19.591 2.399 -2.990 1.00 1.07 N ATOM 177 CA SER A 15 19.455 3.596 -2.111 1.00 0.91 C ATOM 178 C SER A 15 18.063 3.589 -1.467 1.00 0.75 C ATOM 179 O SER A 15 17.057 3.494 -2.142 1.00 0.78 O ATOM 180 CB SER A 15 19.631 4.870 -2.950 1.00 0.99 C ATOM 181 OG SER A 15 18.356 5.363 -3.341 1.00 1.38 O ATOM 0 HA SER A 15 20.218 3.572 -1.333 1.00 0.91 H new ATOM 0 HB2 SER A 15 20.164 5.626 -2.374 1.00 0.99 H new ATOM 0 HB3 SER A 15 20.236 4.657 -3.831 1.00 0.99 H new ATOM 0 HG SER A 15 18.295 6.317 -3.127 1.00 1.38 H new ATOM 187 N SER A 16 18.001 3.677 -0.168 1.00 0.72 N ATOM 188 CA SER A 16 16.678 3.663 0.523 1.00 0.82 C ATOM 189 C SER A 16 15.843 4.876 0.103 1.00 0.81 C ATOM 190 O SER A 16 14.633 4.873 0.220 1.00 0.92 O ATOM 191 CB SER A 16 16.898 3.711 2.035 1.00 1.06 C ATOM 192 OG SER A 16 17.236 5.038 2.418 1.00 1.64 O ATOM 0 H SER A 16 18.810 3.758 0.448 1.00 0.72 H new ATOM 0 HA SER A 16 16.147 2.752 0.247 1.00 0.82 H new ATOM 0 HB2 SER A 16 15.997 3.388 2.556 1.00 1.06 H new ATOM 0 HB3 SER A 16 17.694 3.024 2.320 1.00 1.06 H new ATOM 0 HG SER A 16 17.376 5.073 3.387 1.00 1.64 H new ATOM 198 N GLU A 17 16.466 5.912 -0.388 1.00 0.80 N ATOM 199 CA GLU A 17 15.689 7.115 -0.810 1.00 0.94 C ATOM 200 C GLU A 17 15.016 6.848 -2.158 1.00 0.85 C ATOM 201 O GLU A 17 13.887 7.235 -2.386 1.00 0.89 O ATOM 202 CB GLU A 17 16.642 8.311 -0.933 1.00 1.13 C ATOM 203 CG GLU A 17 15.844 9.617 -0.924 1.00 1.71 C ATOM 204 CD GLU A 17 15.372 9.919 0.499 1.00 2.26 C ATOM 205 OE1 GLU A 17 15.680 9.136 1.382 1.00 2.68 O ATOM 206 OE2 GLU A 17 14.711 10.928 0.682 1.00 2.90 O ATOM 0 H GLU A 17 17.476 5.979 -0.515 1.00 0.80 H new ATOM 0 HA GLU A 17 14.921 7.335 -0.068 1.00 0.94 H new ATOM 0 HB2 GLU A 17 17.355 8.305 -0.109 1.00 1.13 H new ATOM 0 HB3 GLU A 17 17.219 8.234 -1.854 1.00 1.13 H new ATOM 0 HG2 GLU A 17 16.462 10.435 -1.295 1.00 1.71 H new ATOM 0 HG3 GLU A 17 14.987 9.536 -1.593 1.00 1.71 H new ATOM 213 N GLN A 18 15.691 6.176 -3.046 1.00 0.80 N ATOM 214 CA GLN A 18 15.078 5.871 -4.368 1.00 0.83 C ATOM 215 C GLN A 18 13.924 4.891 -4.168 1.00 0.68 C ATOM 216 O GLN A 18 12.969 4.883 -4.920 1.00 0.69 O ATOM 217 CB GLN A 18 16.126 5.245 -5.292 1.00 0.96 C ATOM 218 CG GLN A 18 17.079 6.333 -5.792 1.00 1.53 C ATOM 219 CD GLN A 18 18.308 5.684 -6.432 1.00 2.23 C ATOM 220 OE1 GLN A 18 18.287 4.516 -6.768 1.00 2.69 O ATOM 221 NE2 GLN A 18 19.385 6.397 -6.617 1.00 3.07 N ATOM 0 H GLN A 18 16.640 5.825 -2.915 1.00 0.80 H new ATOM 0 HA GLN A 18 14.707 6.791 -4.820 1.00 0.83 H new ATOM 0 HB2 GLN A 18 16.684 4.475 -4.759 1.00 0.96 H new ATOM 0 HB3 GLN A 18 15.638 4.758 -6.136 1.00 0.96 H new ATOM 0 HG2 GLN A 18 16.572 6.969 -6.517 1.00 1.53 H new ATOM 0 HG3 GLN A 18 17.383 6.973 -4.964 1.00 1.53 H new ATOM 0 HE21 GLN A 18 19.402 7.377 -6.335 1.00 3.07 H new ATOM 0 HE22 GLN A 18 20.209 5.974 -7.044 1.00 3.07 H new ATOM 230 N ILE A 19 14.000 4.058 -3.166 1.00 0.59 N ATOM 231 CA ILE A 19 12.899 3.084 -2.940 1.00 0.58 C ATOM 232 C ILE A 19 11.619 3.845 -2.574 1.00 0.52 C ATOM 233 O ILE A 19 10.584 3.640 -3.176 1.00 0.59 O ATOM 234 CB ILE A 19 13.303 2.086 -1.836 1.00 0.64 C ATOM 235 CG1 ILE A 19 14.417 1.174 -2.365 1.00 0.74 C ATOM 236 CG2 ILE A 19 12.100 1.237 -1.394 1.00 0.73 C ATOM 237 CD1 ILE A 19 14.902 0.239 -1.252 1.00 0.81 C ATOM 0 H ILE A 19 14.771 4.011 -2.500 1.00 0.59 H new ATOM 0 HA ILE A 19 12.709 2.513 -3.849 1.00 0.58 H new ATOM 0 HB ILE A 19 13.659 2.645 -0.971 1.00 0.64 H new ATOM 0 HG12 ILE A 19 14.050 0.589 -3.208 1.00 0.74 H new ATOM 0 HG13 ILE A 19 15.248 1.776 -2.733 1.00 0.74 H new ATOM 0 HG21 ILE A 19 12.412 0.542 -0.615 1.00 0.73 H new ATOM 0 HG22 ILE A 19 11.317 1.889 -1.006 1.00 0.73 H new ATOM 0 HG23 ILE A 19 11.716 0.678 -2.247 1.00 0.73 H new ATOM 0 HD11 ILE A 19 15.693 -0.405 -1.637 1.00 0.81 H new ATOM 0 HD12 ILE A 19 15.287 0.831 -0.422 1.00 0.81 H new ATOM 0 HD13 ILE A 19 14.071 -0.375 -0.905 1.00 0.81 H new ATOM 249 N MET A 20 11.655 4.686 -1.579 1.00 0.51 N ATOM 250 CA MET A 20 10.392 5.388 -1.210 1.00 0.60 C ATOM 251 C MET A 20 9.850 6.144 -2.434 1.00 0.55 C ATOM 252 O MET A 20 8.661 6.175 -2.679 1.00 0.59 O ATOM 253 CB MET A 20 10.603 6.327 0.003 1.00 0.82 C ATOM 254 CG MET A 20 10.959 7.761 -0.453 1.00 1.07 C ATOM 255 SD MET A 20 11.169 8.821 0.995 1.00 1.43 S ATOM 256 CE MET A 20 9.428 9.297 1.168 1.00 0.93 C ATOM 0 H MET A 20 12.477 4.914 -1.019 1.00 0.51 H new ATOM 0 HA MET A 20 9.650 4.650 -0.904 1.00 0.60 H new ATOM 0 HB2 MET A 20 9.698 6.350 0.610 1.00 0.82 H new ATOM 0 HB3 MET A 20 11.400 5.935 0.635 1.00 0.82 H new ATOM 0 HG2 MET A 20 11.875 7.749 -1.044 1.00 1.07 H new ATOM 0 HG3 MET A 20 10.171 8.156 -1.094 1.00 1.07 H new ATOM 0 HE1 MET A 20 9.322 9.995 1.998 1.00 0.93 H new ATOM 0 HE2 MET A 20 9.088 9.773 0.248 1.00 0.93 H new ATOM 0 HE3 MET A 20 8.826 8.409 1.362 1.00 0.93 H new ATOM 266 N LYS A 21 10.714 6.727 -3.214 1.00 0.57 N ATOM 267 CA LYS A 21 10.253 7.453 -4.431 1.00 0.61 C ATOM 268 C LYS A 21 9.541 6.486 -5.375 1.00 0.53 C ATOM 269 O LYS A 21 8.421 6.724 -5.779 1.00 0.51 O ATOM 270 CB LYS A 21 11.447 8.075 -5.150 1.00 0.72 C ATOM 271 CG LYS A 21 11.980 9.251 -4.332 1.00 1.09 C ATOM 272 CD LYS A 21 13.082 9.955 -5.124 1.00 1.24 C ATOM 273 CE LYS A 21 13.573 11.175 -4.344 1.00 1.80 C ATOM 274 NZ LYS A 21 14.551 11.932 -5.176 1.00 2.40 N ATOM 0 H LYS A 21 11.723 6.733 -3.062 1.00 0.57 H new ATOM 0 HA LYS A 21 9.562 8.240 -4.130 1.00 0.61 H new ATOM 0 HB2 LYS A 21 12.230 7.330 -5.288 1.00 0.72 H new ATOM 0 HB3 LYS A 21 11.151 8.414 -6.143 1.00 0.72 H new ATOM 0 HG2 LYS A 21 11.173 9.949 -4.108 1.00 1.09 H new ATOM 0 HG3 LYS A 21 12.370 8.898 -3.377 1.00 1.09 H new ATOM 0 HD2 LYS A 21 13.909 9.269 -5.305 1.00 1.24 H new ATOM 0 HD3 LYS A 21 12.704 10.262 -6.099 1.00 1.24 H new ATOM 0 HE2 LYS A 21 12.731 11.815 -4.080 1.00 1.80 H new ATOM 0 HE3 LYS A 21 14.039 10.860 -3.410 1.00 1.80 H new ATOM 0 HZ1 LYS A 21 14.887 12.763 -4.648 1.00 2.40 H new ATOM 0 HZ2 LYS A 21 15.359 11.319 -5.407 1.00 2.40 H new ATOM 0 HZ3 LYS A 21 14.091 12.244 -6.055 1.00 2.40 H new ATOM 288 N THR A 22 10.149 5.379 -5.708 1.00 0.53 N ATOM 289 CA THR A 22 9.474 4.399 -6.607 1.00 0.52 C ATOM 290 C THR A 22 8.097 4.051 -6.038 1.00 0.45 C ATOM 291 O THR A 22 7.115 3.990 -6.748 1.00 0.48 O ATOM 292 CB THR A 22 10.327 3.128 -6.672 1.00 0.55 C ATOM 293 OG1 THR A 22 11.551 3.421 -7.333 1.00 0.64 O ATOM 294 CG2 THR A 22 9.580 2.031 -7.441 1.00 0.62 C ATOM 0 H THR A 22 11.083 5.111 -5.397 1.00 0.53 H new ATOM 0 HA THR A 22 9.357 4.826 -7.603 1.00 0.52 H new ATOM 0 HB THR A 22 10.527 2.777 -5.660 1.00 0.55 H new ATOM 0 HG1 THR A 22 12.155 3.883 -6.714 1.00 0.64 H new ATOM 0 HG21 THR A 22 10.195 1.132 -7.481 1.00 0.62 H new ATOM 0 HG22 THR A 22 8.641 1.806 -6.934 1.00 0.62 H new ATOM 0 HG23 THR A 22 9.372 2.374 -8.454 1.00 0.62 H new ATOM 302 N GLY A 23 8.030 3.831 -4.753 1.00 0.42 N ATOM 303 CA GLY A 23 6.735 3.486 -4.096 1.00 0.43 C ATOM 304 C GLY A 23 5.711 4.603 -4.288 1.00 0.41 C ATOM 305 O GLY A 23 4.532 4.347 -4.444 1.00 0.47 O ATOM 0 H GLY A 23 8.829 3.876 -4.121 1.00 0.42 H new ATOM 0 HA2 GLY A 23 6.347 2.556 -4.513 1.00 0.43 H new ATOM 0 HA3 GLY A 23 6.897 3.315 -3.032 1.00 0.43 H new ATOM 309 N ALA A 24 6.131 5.836 -4.317 1.00 0.40 N ATOM 310 CA ALA A 24 5.164 6.948 -4.540 1.00 0.41 C ATOM 311 C ALA A 24 4.605 6.865 -5.956 1.00 0.41 C ATOM 312 O ALA A 24 3.549 7.387 -6.252 1.00 0.41 O ATOM 313 CB ALA A 24 5.907 8.277 -4.390 1.00 0.42 C ATOM 0 H ALA A 24 7.102 6.123 -4.196 1.00 0.40 H new ATOM 0 HA ALA A 24 4.350 6.876 -3.818 1.00 0.41 H new ATOM 0 HB1 ALA A 24 5.213 9.102 -4.550 1.00 0.42 H new ATOM 0 HB2 ALA A 24 6.328 8.347 -3.387 1.00 0.42 H new ATOM 0 HB3 ALA A 24 6.710 8.330 -5.125 1.00 0.42 H new ATOM 319 N LEU A 25 5.316 6.209 -6.835 1.00 0.42 N ATOM 320 CA LEU A 25 4.834 6.093 -8.239 1.00 0.44 C ATOM 321 C LEU A 25 3.808 4.958 -8.314 1.00 0.44 C ATOM 322 O LEU A 25 2.761 5.094 -8.915 1.00 0.46 O ATOM 323 CB LEU A 25 6.015 5.814 -9.167 1.00 0.47 C ATOM 324 CG LEU A 25 7.152 6.799 -8.872 1.00 0.77 C ATOM 325 CD1 LEU A 25 8.283 6.588 -9.881 1.00 1.58 C ATOM 326 CD2 LEU A 25 6.642 8.244 -8.969 1.00 1.67 C ATOM 0 H LEU A 25 6.206 5.751 -6.641 1.00 0.42 H new ATOM 0 HA LEU A 25 4.364 7.024 -8.555 1.00 0.44 H new ATOM 0 HB2 LEU A 25 6.364 4.790 -9.029 1.00 0.47 H new ATOM 0 HB3 LEU A 25 5.702 5.907 -10.207 1.00 0.47 H new ATOM 0 HG LEU A 25 7.522 6.622 -7.862 1.00 0.77 H new ATOM 0 HD11 LEU A 25 9.092 7.288 -9.672 1.00 1.58 H new ATOM 0 HD12 LEU A 25 8.656 5.567 -9.801 1.00 1.58 H new ATOM 0 HD13 LEU A 25 7.907 6.758 -10.890 1.00 1.58 H new ATOM 0 HD21 LEU A 25 7.459 8.933 -8.757 1.00 1.67 H new ATOM 0 HD22 LEU A 25 6.262 8.429 -9.974 1.00 1.67 H new ATOM 0 HD23 LEU A 25 5.842 8.397 -8.245 1.00 1.67 H new ATOM 338 N LEU A 26 4.120 3.819 -7.745 1.00 0.45 N ATOM 339 CA LEU A 26 3.178 2.664 -7.826 1.00 0.47 C ATOM 340 C LEU A 26 1.775 3.098 -7.407 1.00 0.49 C ATOM 341 O LEU A 26 0.828 2.955 -8.154 1.00 0.52 O ATOM 342 CB LEU A 26 3.647 1.522 -6.914 1.00 0.51 C ATOM 343 CG LEU A 26 5.158 1.324 -7.047 1.00 0.69 C ATOM 344 CD1 LEU A 26 5.588 0.093 -6.246 1.00 1.17 C ATOM 345 CD2 LEU A 26 5.531 1.142 -8.521 1.00 1.35 C ATOM 0 H LEU A 26 4.983 3.641 -7.231 1.00 0.45 H new ATOM 0 HA LEU A 26 3.158 2.313 -8.858 1.00 0.47 H new ATOM 0 HB2 LEU A 26 3.392 1.747 -5.878 1.00 0.51 H new ATOM 0 HB3 LEU A 26 3.128 0.600 -7.177 1.00 0.51 H new ATOM 0 HG LEU A 26 5.671 2.203 -6.657 1.00 0.69 H new ATOM 0 HD11 LEU A 26 6.665 -0.046 -6.342 1.00 1.17 H new ATOM 0 HD12 LEU A 26 5.333 0.235 -5.196 1.00 1.17 H new ATOM 0 HD13 LEU A 26 5.073 -0.788 -6.629 1.00 1.17 H new ATOM 0 HD21 LEU A 26 6.608 1.001 -8.609 1.00 1.35 H new ATOM 0 HD22 LEU A 26 5.017 0.268 -8.921 1.00 1.35 H new ATOM 0 HD23 LEU A 26 5.233 2.027 -9.084 1.00 1.35 H new ATOM 357 N LEU A 27 1.620 3.614 -6.219 1.00 0.50 N ATOM 358 CA LEU A 27 0.259 4.027 -5.786 1.00 0.56 C ATOM 359 C LEU A 27 -0.273 5.084 -6.757 1.00 0.56 C ATOM 360 O LEU A 27 -1.358 4.962 -7.290 1.00 0.60 O ATOM 361 CB LEU A 27 0.316 4.600 -4.365 1.00 0.64 C ATOM 362 CG LEU A 27 -1.113 4.775 -3.796 1.00 0.95 C ATOM 363 CD1 LEU A 27 -1.533 3.515 -3.029 1.00 1.66 C ATOM 364 CD2 LEU A 27 -1.148 5.973 -2.839 1.00 1.42 C ATOM 0 H LEU A 27 2.365 3.765 -5.539 1.00 0.50 H new ATOM 0 HA LEU A 27 -0.406 3.163 -5.787 1.00 0.56 H new ATOM 0 HB2 LEU A 27 0.892 3.935 -3.721 1.00 0.64 H new ATOM 0 HB3 LEU A 27 0.831 5.561 -4.374 1.00 0.64 H new ATOM 0 HG LEU A 27 -1.800 4.943 -4.625 1.00 0.95 H new ATOM 0 HD11 LEU A 27 -2.540 3.649 -2.633 1.00 1.66 H new ATOM 0 HD12 LEU A 27 -1.519 2.658 -3.702 1.00 1.66 H new ATOM 0 HD13 LEU A 27 -0.839 3.342 -2.206 1.00 1.66 H new ATOM 0 HD21 LEU A 27 -2.156 6.092 -2.441 1.00 1.42 H new ATOM 0 HD22 LEU A 27 -0.452 5.803 -2.018 1.00 1.42 H new ATOM 0 HD23 LEU A 27 -0.861 6.877 -3.377 1.00 1.42 H new ATOM 376 N GLN A 28 0.480 6.126 -6.983 1.00 0.55 N ATOM 377 CA GLN A 28 0.020 7.198 -7.911 1.00 0.58 C ATOM 378 C GLN A 28 -0.468 6.579 -9.226 1.00 0.54 C ATOM 379 O GLN A 28 -1.500 6.945 -9.752 1.00 0.58 O ATOM 380 CB GLN A 28 1.200 8.141 -8.191 1.00 0.60 C ATOM 381 CG GLN A 28 0.865 9.104 -9.339 1.00 1.00 C ATOM 382 CD GLN A 28 -0.510 9.737 -9.109 1.00 1.40 C ATOM 383 OE1 GLN A 28 -0.768 10.311 -7.966 1.00 2.09 O flip ATOM 384 NE2 GLN A 28 -1.357 9.709 -9.980 1.00 1.91 N flip ATOM 0 H GLN A 28 1.397 6.281 -6.564 1.00 0.55 H new ATOM 0 HA GLN A 28 -0.803 7.751 -7.458 1.00 0.58 H new ATOM 0 HB2 GLN A 28 1.440 8.709 -7.292 1.00 0.60 H new ATOM 0 HB3 GLN A 28 2.085 7.558 -8.445 1.00 0.60 H new ATOM 0 HG2 GLN A 28 1.626 9.882 -9.406 1.00 1.00 H new ATOM 0 HG3 GLN A 28 0.873 8.568 -10.288 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -1.155 9.260 -10.873 1.00 1.91 H new ATOM 0 HE22 GLN A 28 -2.270 10.134 -9.818 1.00 1.91 H new ATOM 393 N GLY A 29 0.282 5.657 -9.770 1.00 0.50 N ATOM 394 CA GLY A 29 -0.117 5.025 -11.061 1.00 0.48 C ATOM 395 C GLY A 29 -1.400 4.212 -10.882 1.00 0.44 C ATOM 396 O GLY A 29 -2.364 4.394 -11.599 1.00 0.50 O ATOM 0 H GLY A 29 1.157 5.314 -9.374 1.00 0.50 H new ATOM 0 HA2 GLY A 29 -0.269 5.794 -11.818 1.00 0.48 H new ATOM 0 HA3 GLY A 29 0.684 4.378 -11.420 1.00 0.48 H new ATOM 400 N PHE A 30 -1.419 3.310 -9.942 1.00 0.44 N ATOM 401 CA PHE A 30 -2.641 2.484 -9.737 1.00 0.43 C ATOM 402 C PHE A 30 -3.836 3.401 -9.477 1.00 0.40 C ATOM 403 O PHE A 30 -4.975 2.985 -9.578 1.00 0.43 O ATOM 404 CB PHE A 30 -2.432 1.547 -8.541 1.00 0.47 C ATOM 405 CG PHE A 30 -3.706 0.779 -8.252 1.00 0.47 C ATOM 406 CD1 PHE A 30 -4.243 -0.077 -9.223 1.00 1.39 C ATOM 407 CD2 PHE A 30 -4.348 0.915 -7.011 1.00 1.20 C ATOM 408 CE1 PHE A 30 -5.417 -0.792 -8.957 1.00 1.42 C ATOM 409 CE2 PHE A 30 -5.521 0.198 -6.746 1.00 1.21 C ATOM 410 CZ PHE A 30 -6.056 -0.655 -7.719 1.00 0.58 C ATOM 0 H PHE A 30 -0.645 3.109 -9.309 1.00 0.44 H new ATOM 0 HA PHE A 30 -2.833 1.887 -10.629 1.00 0.43 H new ATOM 0 HB2 PHE A 30 -1.619 0.852 -8.751 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -2.139 2.124 -7.664 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -3.750 -0.185 -10.178 1.00 1.39 H new ATOM 0 HD2 PHE A 30 -3.937 1.573 -6.260 1.00 1.20 H new ATOM 0 HE1 PHE A 30 -5.830 -1.450 -9.707 1.00 1.42 H new ATOM 0 HE2 PHE A 30 -6.013 0.303 -5.791 1.00 1.21 H new ATOM 0 HZ PHE A 30 -6.961 -1.207 -7.514 1.00 0.58 H new ATOM 420 N ILE A 31 -3.605 4.652 -9.173 1.00 0.40 N ATOM 421 CA ILE A 31 -4.751 5.582 -8.938 1.00 0.40 C ATOM 422 C ILE A 31 -5.145 6.219 -10.277 1.00 0.40 C ATOM 423 O ILE A 31 -6.274 6.119 -10.715 1.00 0.43 O ATOM 424 CB ILE A 31 -4.324 6.664 -7.937 1.00 0.41 C ATOM 425 CG1 ILE A 31 -4.182 6.044 -6.542 1.00 0.53 C ATOM 426 CG2 ILE A 31 -5.364 7.787 -7.893 1.00 0.72 C ATOM 427 CD1 ILE A 31 -3.386 6.988 -5.635 1.00 0.48 C ATOM 0 H ILE A 31 -2.679 5.068 -9.078 1.00 0.40 H new ATOM 0 HA ILE A 31 -5.605 5.042 -8.529 1.00 0.40 H new ATOM 0 HB ILE A 31 -3.368 7.080 -8.254 1.00 0.41 H new ATOM 0 HG12 ILE A 31 -5.167 5.858 -6.114 1.00 0.53 H new ATOM 0 HG13 ILE A 31 -3.678 5.080 -6.612 1.00 0.53 H new ATOM 0 HG21 ILE A 31 -5.048 8.548 -7.179 1.00 0.72 H new ATOM 0 HG22 ILE A 31 -5.458 8.235 -8.882 1.00 0.72 H new ATOM 0 HG23 ILE A 31 -6.327 7.379 -7.586 1.00 0.72 H new ATOM 0 HD11 ILE A 31 -3.287 6.544 -4.645 1.00 0.48 H new ATOM 0 HD12 ILE A 31 -2.396 7.151 -6.060 1.00 0.48 H new ATOM 0 HD13 ILE A 31 -3.908 7.941 -5.555 1.00 0.48 H new ATOM 439 N GLN A 32 -4.224 6.878 -10.927 1.00 0.42 N ATOM 440 CA GLN A 32 -4.544 7.528 -12.231 1.00 0.47 C ATOM 441 C GLN A 32 -5.231 6.526 -13.168 1.00 0.50 C ATOM 442 O GLN A 32 -6.245 6.813 -13.773 1.00 0.61 O ATOM 443 CB GLN A 32 -3.247 8.024 -12.875 1.00 0.57 C ATOM 444 CG GLN A 32 -3.571 8.854 -14.118 1.00 1.19 C ATOM 445 CD GLN A 32 -2.268 9.308 -14.779 1.00 1.59 C ATOM 446 OE1 GLN A 32 -1.946 10.480 -14.772 1.00 2.16 O ATOM 447 NE2 GLN A 32 -1.500 8.424 -15.354 1.00 2.21 N ATOM 0 H GLN A 32 -3.261 6.995 -10.611 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.218 8.367 -12.058 1.00 0.47 H new ATOM 0 HB2 GLN A 32 -2.683 8.625 -12.162 1.00 0.57 H new ATOM 0 HB3 GLN A 32 -2.617 7.177 -13.146 1.00 0.57 H new ATOM 0 HG2 GLN A 32 -4.161 8.264 -14.819 1.00 1.19 H new ATOM 0 HG3 GLN A 32 -4.174 9.720 -13.844 1.00 1.19 H new ATOM 0 HE21 GLN A 32 -1.770 7.440 -15.360 1.00 2.21 H new ATOM 0 HE22 GLN A 32 -0.629 8.716 -15.798 1.00 2.21 H new ATOM 456 N ASP A 33 -4.669 5.352 -13.296 1.00 0.49 N ATOM 457 CA ASP A 33 -5.255 4.311 -14.194 1.00 0.58 C ATOM 458 C ASP A 33 -6.628 3.866 -13.678 1.00 0.61 C ATOM 459 O ASP A 33 -7.573 3.730 -14.430 1.00 0.70 O ATOM 460 CB ASP A 33 -4.315 3.099 -14.212 1.00 0.61 C ATOM 461 CG ASP A 33 -4.679 2.183 -15.384 1.00 1.10 C ATOM 462 OD1 ASP A 33 -5.857 1.927 -15.567 1.00 1.78 O ATOM 463 OD2 ASP A 33 -3.772 1.755 -16.080 1.00 1.89 O ATOM 0 H ASP A 33 -3.818 5.066 -12.811 1.00 0.49 H new ATOM 0 HA ASP A 33 -5.373 4.726 -15.195 1.00 0.58 H new ATOM 0 HB2 ASP A 33 -3.281 3.430 -14.304 1.00 0.61 H new ATOM 0 HB3 ASP A 33 -4.393 2.552 -13.272 1.00 0.61 H new ATOM 468 N ARG A 34 -6.735 3.628 -12.401 1.00 0.58 N ATOM 469 CA ARG A 34 -8.033 3.176 -11.814 1.00 0.71 C ATOM 470 C ARG A 34 -8.968 4.376 -11.584 1.00 0.65 C ATOM 471 O ARG A 34 -10.142 4.198 -11.332 1.00 0.85 O ATOM 472 CB ARG A 34 -7.746 2.444 -10.490 1.00 0.85 C ATOM 473 CG ARG A 34 -8.979 1.656 -10.009 1.00 1.25 C ATOM 474 CD ARG A 34 -9.047 0.284 -10.690 1.00 1.31 C ATOM 475 NE ARG A 34 -10.442 -0.231 -10.610 1.00 1.58 N ATOM 476 CZ ARG A 34 -10.824 -1.209 -11.382 1.00 2.09 C ATOM 477 NH1 ARG A 34 -9.987 -1.730 -12.237 1.00 2.58 N ATOM 478 NH2 ARG A 34 -12.045 -1.663 -11.303 1.00 2.75 N ATOM 0 H ARG A 34 -5.973 3.727 -11.730 1.00 0.58 H new ATOM 0 HA ARG A 34 -8.533 2.497 -12.504 1.00 0.71 H new ATOM 0 HB2 ARG A 34 -6.905 1.763 -10.623 1.00 0.85 H new ATOM 0 HB3 ARG A 34 -7.453 3.167 -9.728 1.00 0.85 H new ATOM 0 HG2 ARG A 34 -8.936 1.529 -8.927 1.00 1.25 H new ATOM 0 HG3 ARG A 34 -9.885 2.221 -10.227 1.00 1.25 H new ATOM 0 HD2 ARG A 34 -8.735 0.365 -11.731 1.00 1.31 H new ATOM 0 HD3 ARG A 34 -8.361 -0.411 -10.205 1.00 1.31 H new ATOM 0 HE ARG A 34 -11.100 0.183 -9.949 1.00 1.58 H new ATOM 0 HH11 ARG A 34 -9.034 -1.372 -12.301 1.00 2.58 H new ATOM 0 HH12 ARG A 34 -10.286 -2.495 -12.841 1.00 2.58 H new ATOM 0 HH21 ARG A 34 -12.700 -1.252 -10.637 1.00 2.75 H new ATOM 0 HH22 ARG A 34 -12.345 -2.428 -11.907 1.00 2.75 H new ATOM 492 N ALA A 35 -8.501 5.591 -11.677 1.00 0.59 N ATOM 493 CA ALA A 35 -9.453 6.727 -11.461 1.00 0.66 C ATOM 494 C ALA A 35 -10.469 6.741 -12.622 1.00 0.80 C ATOM 495 O ALA A 35 -11.558 7.265 -12.515 1.00 0.88 O ATOM 496 CB ALA A 35 -8.697 8.054 -11.390 1.00 0.94 C ATOM 0 H ALA A 35 -7.536 5.846 -11.886 1.00 0.59 H new ATOM 0 HA ALA A 35 -9.978 6.595 -10.515 1.00 0.66 H new ATOM 0 HB1 ALA A 35 -9.405 8.868 -11.233 1.00 0.94 H new ATOM 0 HB2 ALA A 35 -7.988 8.025 -10.563 1.00 0.94 H new ATOM 0 HB3 ALA A 35 -8.159 8.217 -12.324 1.00 0.94 H new ATOM 751 N ALA A 54 10.065 1.665 -17.513 1.00 0.91 N ATOM 752 CA ALA A 54 8.847 0.793 -17.598 1.00 0.84 C ATOM 753 C ALA A 54 8.833 -0.167 -16.407 1.00 0.76 C ATOM 754 O ALA A 54 7.886 -0.898 -16.196 1.00 0.75 O ATOM 755 CB ALA A 54 8.844 0.003 -18.907 1.00 0.95 C ATOM 0 HA ALA A 54 7.956 1.420 -17.575 1.00 0.84 H new ATOM 0 HB1 ALA A 54 7.953 -0.624 -18.952 1.00 0.95 H new ATOM 0 HB2 ALA A 54 8.843 0.695 -19.749 1.00 0.95 H new ATOM 0 HB3 ALA A 54 9.733 -0.626 -18.955 1.00 0.95 H new ATOM 761 N SER A 55 9.838 -0.107 -15.580 1.00 0.75 N ATOM 762 CA SER A 55 9.854 -0.944 -14.349 1.00 0.71 C ATOM 763 C SER A 55 8.583 -0.641 -13.566 1.00 0.66 C ATOM 764 O SER A 55 7.982 -1.508 -12.965 1.00 0.66 O ATOM 765 CB SER A 55 11.063 -0.535 -13.507 1.00 0.76 C ATOM 766 OG SER A 55 12.249 -0.741 -14.264 1.00 1.37 O ATOM 0 H SER A 55 10.655 0.490 -15.705 1.00 0.75 H new ATOM 0 HA SER A 55 9.910 -2.005 -14.594 1.00 0.71 H new ATOM 0 HB2 SER A 55 10.981 0.512 -13.215 1.00 0.76 H new ATOM 0 HB3 SER A 55 11.097 -1.121 -12.588 1.00 0.76 H new ATOM 0 HG SER A 55 13.028 -0.479 -13.730 1.00 1.37 H new ATOM 772 N THR A 56 8.187 0.604 -13.553 1.00 0.65 N ATOM 773 CA THR A 56 6.971 0.996 -12.791 1.00 0.62 C ATOM 774 C THR A 56 5.717 0.665 -13.594 1.00 0.59 C ATOM 775 O THR A 56 4.668 0.390 -13.043 1.00 0.57 O ATOM 776 CB THR A 56 7.020 2.505 -12.528 1.00 0.67 C ATOM 777 OG1 THR A 56 8.200 2.806 -11.796 1.00 1.09 O ATOM 778 CG2 THR A 56 5.797 2.969 -11.721 1.00 1.06 C ATOM 0 H THR A 56 8.657 1.367 -14.040 1.00 0.65 H new ATOM 0 HA THR A 56 6.941 0.448 -11.849 1.00 0.62 H new ATOM 0 HB THR A 56 7.017 3.024 -13.486 1.00 0.67 H new ATOM 0 HG1 THR A 56 8.241 3.770 -11.624 1.00 1.09 H new ATOM 0 HG21 THR A 56 5.860 4.044 -11.550 1.00 1.06 H new ATOM 0 HG22 THR A 56 4.887 2.743 -12.277 1.00 1.06 H new ATOM 0 HG23 THR A 56 5.775 2.450 -10.763 1.00 1.06 H new ATOM 786 N LYS A 57 5.806 0.706 -14.893 1.00 0.61 N ATOM 787 CA LYS A 57 4.603 0.412 -15.713 1.00 0.59 C ATOM 788 C LYS A 57 4.152 -1.027 -15.454 1.00 0.54 C ATOM 789 O LYS A 57 2.971 -1.315 -15.389 1.00 0.52 O ATOM 790 CB LYS A 57 4.930 0.610 -17.194 1.00 0.65 C ATOM 791 CG LYS A 57 3.716 0.237 -18.045 1.00 1.20 C ATOM 792 CD LYS A 57 3.924 0.734 -19.479 1.00 1.33 C ATOM 793 CE LYS A 57 5.163 0.069 -20.087 1.00 1.94 C ATOM 794 NZ LYS A 57 5.119 0.200 -21.571 1.00 2.73 N ATOM 0 H LYS A 57 6.652 0.928 -15.417 1.00 0.61 H new ATOM 0 HA LYS A 57 3.795 1.091 -15.439 1.00 0.59 H new ATOM 0 HB2 LYS A 57 5.211 1.647 -17.379 1.00 0.65 H new ATOM 0 HB3 LYS A 57 5.785 -0.006 -17.473 1.00 0.65 H new ATOM 0 HG2 LYS A 57 3.574 -0.844 -18.041 1.00 1.20 H new ATOM 0 HG3 LYS A 57 2.813 0.679 -17.623 1.00 1.20 H new ATOM 0 HD2 LYS A 57 3.045 0.507 -20.083 1.00 1.33 H new ATOM 0 HD3 LYS A 57 4.043 1.818 -19.484 1.00 1.33 H new ATOM 0 HE2 LYS A 57 6.068 0.535 -19.697 1.00 1.94 H new ATOM 0 HE3 LYS A 57 5.200 -0.983 -19.805 1.00 1.94 H new ATOM 0 HZ1 LYS A 57 5.960 -0.251 -21.984 1.00 2.73 H new ATOM 0 HZ2 LYS A 57 4.263 -0.264 -21.935 1.00 2.73 H new ATOM 0 HZ3 LYS A 57 5.104 1.207 -21.830 1.00 2.73 H new ATOM 808 N LYS A 58 5.074 -1.941 -15.299 1.00 0.55 N ATOM 809 CA LYS A 58 4.663 -3.350 -15.043 1.00 0.53 C ATOM 810 C LYS A 58 4.181 -3.472 -13.594 1.00 0.48 C ATOM 811 O LYS A 58 3.185 -4.115 -13.329 1.00 0.46 O ATOM 812 CB LYS A 58 5.836 -4.301 -15.293 1.00 0.56 C ATOM 813 CG LYS A 58 5.307 -5.733 -15.393 1.00 0.78 C ATOM 814 CD LYS A 58 6.472 -6.724 -15.371 1.00 0.96 C ATOM 815 CE LYS A 58 5.919 -8.147 -15.259 1.00 0.85 C ATOM 816 NZ LYS A 58 5.412 -8.376 -13.877 1.00 1.75 N ATOM 0 H LYS A 58 6.080 -1.775 -15.338 1.00 0.55 H new ATOM 0 HA LYS A 58 3.855 -3.622 -15.722 1.00 0.53 H new ATOM 0 HB2 LYS A 58 6.353 -4.026 -16.212 1.00 0.56 H new ATOM 0 HB3 LYS A 58 6.562 -4.224 -14.483 1.00 0.56 H new ATOM 0 HG2 LYS A 58 4.629 -5.938 -14.564 1.00 0.78 H new ATOM 0 HG3 LYS A 58 4.733 -5.854 -16.312 1.00 0.78 H new ATOM 0 HD2 LYS A 58 7.068 -6.623 -16.278 1.00 0.96 H new ATOM 0 HD3 LYS A 58 7.132 -6.510 -14.530 1.00 0.96 H new ATOM 0 HE2 LYS A 58 5.116 -8.294 -15.981 1.00 0.85 H new ATOM 0 HE3 LYS A 58 6.698 -8.871 -15.496 1.00 0.85 H new ATOM 0 HZ1 LYS A 58 5.529 -9.378 -13.626 1.00 1.75 H new ATOM 0 HZ2 LYS A 58 5.948 -7.787 -13.208 1.00 1.75 H new ATOM 0 HZ3 LYS A 58 4.404 -8.123 -13.830 1.00 1.75 H new ATOM 830 N LEU A 59 4.873 -2.895 -12.645 1.00 0.50 N ATOM 831 CA LEU A 59 4.405 -3.044 -11.235 1.00 0.47 C ATOM 832 C LEU A 59 2.952 -2.547 -11.154 1.00 0.43 C ATOM 833 O LEU A 59 2.227 -2.846 -10.224 1.00 0.42 O ATOM 834 CB LEU A 59 5.305 -2.238 -10.260 1.00 0.53 C ATOM 835 CG LEU A 59 6.364 -3.121 -9.564 1.00 0.71 C ATOM 836 CD1 LEU A 59 5.712 -4.312 -8.829 1.00 1.07 C ATOM 837 CD2 LEU A 59 7.374 -3.624 -10.598 1.00 1.34 C ATOM 0 H LEU A 59 5.719 -2.342 -12.779 1.00 0.50 H new ATOM 0 HA LEU A 59 4.463 -4.092 -10.942 1.00 0.47 H new ATOM 0 HB2 LEU A 59 5.806 -1.440 -10.809 1.00 0.53 H new ATOM 0 HB3 LEU A 59 4.681 -1.762 -9.504 1.00 0.53 H new ATOM 0 HG LEU A 59 6.878 -2.515 -8.818 1.00 0.71 H new ATOM 0 HD11 LEU A 59 6.486 -4.912 -8.351 1.00 1.07 H new ATOM 0 HD12 LEU A 59 5.022 -3.939 -8.072 1.00 1.07 H new ATOM 0 HD13 LEU A 59 5.167 -4.927 -9.545 1.00 1.07 H new ATOM 0 HD21 LEU A 59 8.120 -4.247 -10.105 1.00 1.34 H new ATOM 0 HD22 LEU A 59 6.856 -4.211 -11.357 1.00 1.34 H new ATOM 0 HD23 LEU A 59 7.866 -2.773 -11.070 1.00 1.34 H new ATOM 849 N SER A 60 2.517 -1.822 -12.152 1.00 0.43 N ATOM 850 CA SER A 60 1.108 -1.334 -12.172 1.00 0.42 C ATOM 851 C SER A 60 0.209 -2.502 -12.592 1.00 0.39 C ATOM 852 O SER A 60 -0.798 -2.790 -11.976 1.00 0.41 O ATOM 853 CB SER A 60 0.984 -0.206 -13.197 1.00 0.47 C ATOM 854 OG SER A 60 0.858 -0.760 -14.498 1.00 1.36 O ATOM 0 H SER A 60 3.080 -1.547 -12.957 1.00 0.43 H new ATOM 0 HA SER A 60 0.816 -0.963 -11.190 1.00 0.42 H new ATOM 0 HB2 SER A 60 0.117 0.414 -12.969 1.00 0.47 H new ATOM 0 HB3 SER A 60 1.860 0.441 -13.149 1.00 0.47 H new ATOM 0 HG SER A 60 1.705 -0.658 -14.981 1.00 1.36 H new ATOM 860 N GLU A 61 0.609 -3.195 -13.627 1.00 0.38 N ATOM 861 CA GLU A 61 -0.161 -4.384 -14.105 1.00 0.38 C ATOM 862 C GLU A 61 -0.480 -5.299 -12.914 1.00 0.38 C ATOM 863 O GLU A 61 -1.566 -5.835 -12.809 1.00 0.41 O ATOM 864 CB GLU A 61 0.689 -5.143 -15.138 1.00 0.39 C ATOM 865 CG GLU A 61 0.086 -6.534 -15.412 1.00 1.06 C ATOM 866 CD GLU A 61 0.532 -7.037 -16.789 1.00 1.67 C ATOM 867 OE1 GLU A 61 1.563 -7.685 -16.856 1.00 2.25 O ATOM 868 OE2 GLU A 61 -0.168 -6.768 -17.752 1.00 2.40 O ATOM 0 H GLU A 61 1.447 -2.985 -14.169 1.00 0.38 H new ATOM 0 HA GLU A 61 -1.096 -4.064 -14.566 1.00 0.38 H new ATOM 0 HB2 GLU A 61 0.740 -4.573 -16.066 1.00 0.39 H new ATOM 0 HB3 GLU A 61 1.710 -5.248 -14.771 1.00 0.39 H new ATOM 0 HG2 GLU A 61 0.402 -7.235 -14.640 1.00 1.06 H new ATOM 0 HG3 GLU A 61 -1.002 -6.483 -15.369 1.00 1.06 H new ATOM 875 N CYS A 62 0.443 -5.474 -12.013 1.00 0.37 N ATOM 876 CA CYS A 62 0.178 -6.343 -10.828 1.00 0.39 C ATOM 877 C CYS A 62 -0.942 -5.727 -9.982 1.00 0.38 C ATOM 878 O CYS A 62 -1.912 -6.380 -9.652 1.00 0.44 O ATOM 879 CB CYS A 62 1.452 -6.441 -9.986 1.00 0.41 C ATOM 880 SG CYS A 62 2.649 -7.507 -10.829 1.00 1.62 S ATOM 0 H CYS A 62 1.372 -5.054 -12.043 1.00 0.37 H new ATOM 0 HA CYS A 62 -0.124 -7.336 -11.161 1.00 0.39 H new ATOM 0 HB2 CYS A 62 1.877 -5.449 -9.832 1.00 0.41 H new ATOM 0 HB3 CYS A 62 1.220 -6.845 -9.000 1.00 0.41 H new ATOM 0 HG CYS A 62 2.997 -8.479 -10.039 1.00 1.62 H new ATOM 886 N LEU A 63 -0.831 -4.474 -9.651 1.00 0.35 N ATOM 887 CA LEU A 63 -1.901 -3.800 -8.853 1.00 0.36 C ATOM 888 C LEU A 63 -3.181 -3.669 -9.692 1.00 0.36 C ATOM 889 O LEU A 63 -4.241 -3.398 -9.161 1.00 0.41 O ATOM 890 CB LEU A 63 -1.404 -2.398 -8.449 1.00 0.38 C ATOM 891 CG LEU A 63 -0.648 -2.481 -7.117 1.00 0.69 C ATOM 892 CD1 LEU A 63 0.555 -3.413 -7.269 1.00 1.39 C ATOM 893 CD2 LEU A 63 -0.168 -1.086 -6.714 1.00 1.11 C ATOM 0 H LEU A 63 -0.040 -3.879 -9.899 1.00 0.35 H new ATOM 0 HA LEU A 63 -2.123 -4.391 -7.965 1.00 0.36 H new ATOM 0 HB2 LEU A 63 -0.752 -1.996 -9.224 1.00 0.38 H new ATOM 0 HB3 LEU A 63 -2.248 -1.715 -8.357 1.00 0.38 H new ATOM 0 HG LEU A 63 -1.313 -2.871 -6.346 1.00 0.69 H new ATOM 0 HD11 LEU A 63 1.092 -3.472 -6.322 1.00 1.39 H new ATOM 0 HD12 LEU A 63 0.211 -4.408 -7.553 1.00 1.39 H new ATOM 0 HD13 LEU A 63 1.221 -3.025 -8.040 1.00 1.39 H new ATOM 0 HD21 LEU A 63 0.369 -1.145 -5.767 1.00 1.11 H new ATOM 0 HD22 LEU A 63 0.496 -0.693 -7.484 1.00 1.11 H new ATOM 0 HD23 LEU A 63 -1.027 -0.424 -6.603 1.00 1.11 H new ATOM 905 N LYS A 64 -3.108 -3.837 -10.985 1.00 0.35 N ATOM 906 CA LYS A 64 -4.349 -3.691 -11.813 1.00 0.37 C ATOM 907 C LYS A 64 -5.096 -5.026 -11.856 1.00 0.39 C ATOM 908 O LYS A 64 -6.292 -5.090 -11.648 1.00 0.43 O ATOM 909 CB LYS A 64 -3.967 -3.266 -13.236 1.00 0.38 C ATOM 910 CG LYS A 64 -3.379 -1.827 -13.232 1.00 0.82 C ATOM 911 CD LYS A 64 -4.363 -0.834 -13.870 1.00 1.35 C ATOM 912 CE LYS A 64 -5.603 -0.686 -12.985 1.00 1.38 C ATOM 913 NZ LYS A 64 -6.462 0.407 -13.520 1.00 2.09 N ATOM 0 H LYS A 64 -2.259 -4.066 -11.501 1.00 0.35 H new ATOM 0 HA LYS A 64 -4.994 -2.932 -11.371 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -3.237 -3.963 -13.647 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -4.844 -3.306 -13.882 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.159 -1.522 -12.209 1.00 0.82 H new ATOM 0 HG3 LYS A 64 -2.436 -1.813 -13.778 1.00 0.82 H new ATOM 0 HD2 LYS A 64 -3.881 0.135 -14.001 1.00 1.35 H new ATOM 0 HD3 LYS A 64 -4.653 -1.182 -14.861 1.00 1.35 H new ATOM 0 HE2 LYS A 64 -6.160 -1.623 -12.960 1.00 1.38 H new ATOM 0 HE3 LYS A 64 -5.308 -0.463 -11.960 1.00 1.38 H new ATOM 0 HZ1 LYS A 64 -7.463 0.158 -13.388 1.00 2.09 H new ATOM 0 HZ2 LYS A 64 -6.255 1.291 -13.013 1.00 2.09 H new ATOM 0 HZ3 LYS A 64 -6.268 0.536 -14.534 1.00 2.09 H new ATOM 927 N ARG A 65 -4.394 -6.090 -12.126 1.00 0.43 N ATOM 928 CA ARG A 65 -5.042 -7.428 -12.188 1.00 0.47 C ATOM 929 C ARG A 65 -5.575 -7.822 -10.807 1.00 0.50 C ATOM 930 O ARG A 65 -6.600 -8.464 -10.691 1.00 0.54 O ATOM 931 CB ARG A 65 -4.010 -8.461 -12.647 1.00 0.45 C ATOM 932 CG ARG A 65 -3.582 -8.144 -14.083 1.00 0.94 C ATOM 933 CD ARG A 65 -2.575 -9.191 -14.564 1.00 1.55 C ATOM 934 NE ARG A 65 -3.279 -10.479 -14.818 1.00 1.86 N ATOM 935 CZ ARG A 65 -2.694 -11.416 -15.515 1.00 2.39 C ATOM 936 NH1 ARG A 65 -1.495 -11.222 -15.993 1.00 2.94 N ATOM 937 NH2 ARG A 65 -3.309 -12.546 -15.734 1.00 2.92 N ATOM 0 H ARG A 65 -3.390 -6.089 -12.308 1.00 0.43 H new ATOM 0 HA ARG A 65 -5.874 -7.392 -12.891 1.00 0.47 H new ATOM 0 HB2 ARG A 65 -3.144 -8.446 -11.985 1.00 0.45 H new ATOM 0 HB3 ARG A 65 -4.434 -9.464 -12.594 1.00 0.45 H new ATOM 0 HG2 ARG A 65 -4.453 -8.135 -14.739 1.00 0.94 H new ATOM 0 HG3 ARG A 65 -3.138 -7.150 -14.129 1.00 0.94 H new ATOM 0 HD2 ARG A 65 -2.084 -8.847 -15.474 1.00 1.55 H new ATOM 0 HD3 ARG A 65 -1.796 -9.332 -13.815 1.00 1.55 H new ATOM 0 HE ARG A 65 -4.218 -10.629 -14.448 1.00 1.86 H new ATOM 0 HH11 ARG A 65 -1.015 -10.339 -15.822 1.00 2.94 H new ATOM 0 HH12 ARG A 65 -1.038 -11.954 -16.537 1.00 2.94 H new ATOM 0 HH21 ARG A 65 -4.246 -12.697 -15.361 1.00 2.92 H new ATOM 0 HH22 ARG A 65 -2.852 -13.278 -16.278 1.00 2.92 H new ATOM 951 N ILE A 66 -4.887 -7.454 -9.756 1.00 0.49 N ATOM 952 CA ILE A 66 -5.361 -7.825 -8.388 1.00 0.53 C ATOM 953 C ILE A 66 -6.460 -6.848 -7.949 1.00 0.54 C ATOM 954 O ILE A 66 -7.415 -7.219 -7.297 1.00 0.60 O ATOM 955 CB ILE A 66 -4.176 -7.761 -7.410 1.00 0.52 C ATOM 956 CG1 ILE A 66 -3.255 -8.961 -7.648 1.00 1.22 C ATOM 957 CG2 ILE A 66 -4.673 -7.776 -5.959 1.00 1.29 C ATOM 958 CD1 ILE A 66 -1.944 -8.759 -6.885 1.00 1.25 C ATOM 0 H ILE A 66 -4.021 -6.915 -9.785 1.00 0.49 H new ATOM 0 HA ILE A 66 -5.767 -8.837 -8.395 1.00 0.53 H new ATOM 0 HB ILE A 66 -3.629 -6.834 -7.582 1.00 0.52 H new ATOM 0 HG12 ILE A 66 -3.743 -9.878 -7.317 1.00 1.22 H new ATOM 0 HG13 ILE A 66 -3.054 -9.073 -8.713 1.00 1.22 H new ATOM 0 HG21 ILE A 66 -3.820 -7.730 -5.282 1.00 1.29 H new ATOM 0 HG22 ILE A 66 -5.320 -6.916 -5.787 1.00 1.29 H new ATOM 0 HG23 ILE A 66 -5.233 -8.693 -5.776 1.00 1.29 H new ATOM 0 HD11 ILE A 66 -1.289 -9.613 -7.055 1.00 1.25 H new ATOM 0 HD12 ILE A 66 -1.454 -7.851 -7.237 1.00 1.25 H new ATOM 0 HD13 ILE A 66 -2.154 -8.669 -5.819 1.00 1.25 H new ATOM 970 N GLY A 67 -6.335 -5.608 -8.328 1.00 0.52 N ATOM 971 CA GLY A 67 -7.368 -4.596 -7.966 1.00 0.55 C ATOM 972 C GLY A 67 -8.691 -4.936 -8.650 1.00 0.53 C ATOM 973 O GLY A 67 -9.740 -4.933 -8.031 1.00 0.63 O ATOM 0 H GLY A 67 -5.555 -5.248 -8.878 1.00 0.52 H new ATOM 0 HA2 GLY A 67 -7.503 -4.572 -6.885 1.00 0.55 H new ATOM 0 HA3 GLY A 67 -7.037 -3.602 -8.268 1.00 0.55 H new ATOM 977 N ASP A 68 -8.663 -5.229 -9.920 1.00 0.54 N ATOM 978 CA ASP A 68 -9.926 -5.562 -10.636 1.00 0.54 C ATOM 979 C ASP A 68 -10.457 -6.915 -10.163 1.00 0.52 C ATOM 980 O ASP A 68 -11.646 -7.162 -10.180 1.00 0.56 O ATOM 981 CB ASP A 68 -9.645 -5.636 -12.138 1.00 0.60 C ATOM 982 CG ASP A 68 -9.144 -4.279 -12.633 1.00 1.43 C ATOM 983 OD1 ASP A 68 -8.309 -3.697 -11.961 1.00 2.20 O ATOM 984 OD2 ASP A 68 -9.604 -3.845 -13.676 1.00 2.12 O ATOM 0 H ASP A 68 -7.820 -5.252 -10.493 1.00 0.54 H new ATOM 0 HA ASP A 68 -10.668 -4.792 -10.428 1.00 0.54 H new ATOM 0 HB2 ASP A 68 -8.901 -6.406 -12.342 1.00 0.60 H new ATOM 0 HB3 ASP A 68 -10.551 -5.918 -12.674 1.00 0.60 H new ATOM 989 N GLU A 69 -9.589 -7.803 -9.757 1.00 0.56 N ATOM 990 CA GLU A 69 -10.061 -9.145 -9.304 1.00 0.56 C ATOM 991 C GLU A 69 -10.488 -9.075 -7.837 1.00 0.55 C ATOM 992 O GLU A 69 -11.139 -9.979 -7.348 1.00 0.73 O ATOM 993 CB GLU A 69 -8.930 -10.168 -9.469 1.00 0.61 C ATOM 994 CG GLU A 69 -9.480 -11.592 -9.312 1.00 0.84 C ATOM 995 CD GLU A 69 -8.460 -12.596 -9.855 1.00 1.65 C ATOM 996 OE1 GLU A 69 -7.310 -12.519 -9.455 1.00 2.48 O ATOM 997 OE2 GLU A 69 -8.847 -13.428 -10.660 1.00 2.23 O ATOM 0 H GLU A 69 -8.580 -7.659 -9.719 1.00 0.56 H new ATOM 0 HA GLU A 69 -10.915 -9.451 -9.908 1.00 0.56 H new ATOM 0 HB2 GLU A 69 -8.467 -10.055 -10.449 1.00 0.61 H new ATOM 0 HB3 GLU A 69 -8.153 -9.986 -8.726 1.00 0.61 H new ATOM 0 HG2 GLU A 69 -9.687 -11.800 -8.262 1.00 0.84 H new ATOM 0 HG3 GLU A 69 -10.424 -11.690 -9.849 1.00 0.84 H new ATOM 1004 N LEU A 70 -10.137 -8.036 -7.112 1.00 0.53 N ATOM 1005 CA LEU A 70 -10.552 -7.985 -5.671 1.00 0.52 C ATOM 1006 C LEU A 70 -11.986 -7.441 -5.587 1.00 0.54 C ATOM 1007 O LEU A 70 -12.754 -7.822 -4.727 1.00 0.60 O ATOM 1008 CB LEU A 70 -9.578 -7.093 -4.860 1.00 0.61 C ATOM 1009 CG LEU A 70 -8.729 -7.914 -3.873 1.00 0.70 C ATOM 1010 CD1 LEU A 70 -9.605 -8.422 -2.716 1.00 1.38 C ATOM 1011 CD2 LEU A 70 -8.050 -9.097 -4.596 1.00 1.61 C ATOM 0 H LEU A 70 -9.594 -7.239 -7.445 1.00 0.53 H new ATOM 0 HA LEU A 70 -10.520 -8.987 -5.243 1.00 0.52 H new ATOM 0 HB2 LEU A 70 -8.921 -6.558 -5.545 1.00 0.61 H new ATOM 0 HB3 LEU A 70 -10.146 -6.342 -4.311 1.00 0.61 H new ATOM 0 HG LEU A 70 -7.950 -7.270 -3.465 1.00 0.70 H new ATOM 0 HD11 LEU A 70 -8.994 -9.001 -2.024 1.00 1.38 H new ATOM 0 HD12 LEU A 70 -10.042 -7.573 -2.191 1.00 1.38 H new ATOM 0 HD13 LEU A 70 -10.401 -9.052 -3.112 1.00 1.38 H new ATOM 0 HD21 LEU A 70 -7.454 -9.666 -3.882 1.00 1.61 H new ATOM 0 HD22 LEU A 70 -8.812 -9.744 -5.030 1.00 1.61 H new ATOM 0 HD23 LEU A 70 -7.404 -8.717 -5.387 1.00 1.61 H new ATOM 1023 N ASP A 71 -12.364 -6.585 -6.499 1.00 0.67 N ATOM 1024 CA ASP A 71 -13.760 -6.064 -6.482 1.00 0.91 C ATOM 1025 C ASP A 71 -14.698 -7.224 -6.821 1.00 1.02 C ATOM 1026 O ASP A 71 -15.901 -7.154 -6.668 1.00 1.29 O ATOM 1027 CB ASP A 71 -13.914 -4.953 -7.522 1.00 1.09 C ATOM 1028 CG ASP A 71 -15.316 -4.350 -7.414 1.00 1.66 C ATOM 1029 OD1 ASP A 71 -15.759 -4.125 -6.300 1.00 2.36 O ATOM 1030 OD2 ASP A 71 -15.923 -4.124 -8.448 1.00 2.25 O ATOM 0 H ASP A 71 -11.772 -6.227 -7.248 1.00 0.67 H new ATOM 0 HA ASP A 71 -14.000 -5.654 -5.501 1.00 0.91 H new ATOM 0 HB2 ASP A 71 -13.161 -4.182 -7.361 1.00 1.09 H new ATOM 0 HB3 ASP A 71 -13.753 -5.352 -8.524 1.00 1.09 H new ATOM 1035 N SER A 72 -14.115 -8.298 -7.278 1.00 0.90 N ATOM 1036 CA SER A 72 -14.882 -9.519 -7.647 1.00 1.20 C ATOM 1037 C SER A 72 -15.704 -10.039 -6.470 1.00 0.98 C ATOM 1038 O SER A 72 -16.642 -10.788 -6.661 1.00 1.02 O ATOM 1039 CB SER A 72 -13.880 -10.611 -8.027 1.00 1.57 C ATOM 1040 OG SER A 72 -13.242 -11.095 -6.853 1.00 2.09 O ATOM 0 H SER A 72 -13.108 -8.380 -7.414 1.00 0.90 H new ATOM 0 HA SER A 72 -15.555 -9.270 -8.467 1.00 1.20 H new ATOM 0 HB2 SER A 72 -14.391 -11.426 -8.539 1.00 1.57 H new ATOM 0 HB3 SER A 72 -13.138 -10.214 -8.720 1.00 1.57 H new ATOM 0 HG SER A 72 -12.271 -11.000 -6.945 1.00 2.09 H new ATOM 1046 N ASN A 73 -15.353 -9.684 -5.249 1.00 0.92 N ATOM 1047 CA ASN A 73 -16.115 -10.216 -4.069 1.00 0.83 C ATOM 1048 C ASN A 73 -17.062 -9.146 -3.513 1.00 0.75 C ATOM 1049 O ASN A 73 -16.634 -8.103 -3.060 1.00 1.07 O ATOM 1050 CB ASN A 73 -15.120 -10.613 -2.976 1.00 0.91 C ATOM 1051 CG ASN A 73 -14.138 -11.648 -3.530 1.00 1.43 C ATOM 1052 OD1 ASN A 73 -12.947 -11.551 -3.312 1.00 2.29 O ATOM 1053 ND2 ASN A 73 -14.591 -12.643 -4.244 1.00 1.90 N ATOM 0 H ASN A 73 -14.581 -9.057 -5.023 1.00 0.92 H new ATOM 0 HA ASN A 73 -16.702 -11.078 -4.386 1.00 0.83 H new ATOM 0 HB2 ASN A 73 -14.579 -9.734 -2.625 1.00 0.91 H new ATOM 0 HB3 ASN A 73 -15.651 -11.024 -2.117 1.00 0.91 H new ATOM 0 HD21 ASN A 73 -13.945 -13.338 -4.618 1.00 1.90 H new ATOM 0 HD22 ASN A 73 -15.591 -12.725 -4.428 1.00 1.90 H new ATOM 1060 N MET A 74 -18.341 -9.389 -3.555 1.00 0.71 N ATOM 1061 CA MET A 74 -19.310 -8.379 -3.039 1.00 0.67 C ATOM 1062 C MET A 74 -19.302 -8.385 -1.506 1.00 0.67 C ATOM 1063 O MET A 74 -19.819 -7.493 -0.864 1.00 0.71 O ATOM 1064 CB MET A 74 -20.707 -8.713 -3.567 1.00 0.75 C ATOM 1065 CG MET A 74 -20.735 -8.537 -5.097 1.00 1.20 C ATOM 1066 SD MET A 74 -21.935 -9.683 -5.818 1.00 1.92 S ATOM 1067 CE MET A 74 -21.107 -9.900 -7.415 1.00 1.96 C ATOM 0 H MET A 74 -18.759 -10.243 -3.924 1.00 0.71 H new ATOM 0 HA MET A 74 -19.024 -7.384 -3.381 1.00 0.67 H new ATOM 0 HB2 MET A 74 -20.971 -9.737 -3.303 1.00 0.75 H new ATOM 0 HB3 MET A 74 -21.448 -8.063 -3.102 1.00 0.75 H new ATOM 0 HG2 MET A 74 -21.000 -7.510 -5.350 1.00 1.20 H new ATOM 0 HG3 MET A 74 -19.745 -8.723 -5.513 1.00 1.20 H new ATOM 0 HE1 MET A 74 -21.686 -10.584 -8.035 1.00 1.96 H new ATOM 0 HE2 MET A 74 -21.026 -8.936 -7.917 1.00 1.96 H new ATOM 0 HE3 MET A 74 -20.110 -10.311 -7.255 1.00 1.96 H new ATOM 1077 N GLU A 75 -18.680 -9.370 -0.922 1.00 0.70 N ATOM 1078 CA GLU A 75 -18.573 -9.452 0.561 1.00 0.75 C ATOM 1079 C GLU A 75 -17.575 -8.404 1.056 1.00 0.73 C ATOM 1080 O GLU A 75 -17.889 -7.608 1.919 1.00 0.78 O ATOM 1081 CB GLU A 75 -18.077 -10.856 0.933 1.00 0.87 C ATOM 1082 CG GLU A 75 -18.020 -11.020 2.463 1.00 1.15 C ATOM 1083 CD GLU A 75 -16.666 -10.542 2.998 1.00 1.70 C ATOM 1084 OE1 GLU A 75 -16.557 -9.370 3.319 1.00 2.29 O ATOM 1085 OE2 GLU A 75 -15.762 -11.358 3.077 1.00 2.21 O ATOM 0 H GLU A 75 -18.232 -10.138 -1.421 1.00 0.70 H new ATOM 0 HA GLU A 75 -19.543 -9.265 1.022 1.00 0.75 H new ATOM 0 HB2 GLU A 75 -18.740 -11.608 0.505 1.00 0.87 H new ATOM 0 HB3 GLU A 75 -17.088 -11.024 0.506 1.00 0.87 H new ATOM 0 HG2 GLU A 75 -18.824 -10.449 2.927 1.00 1.15 H new ATOM 0 HG3 GLU A 75 -18.176 -12.065 2.730 1.00 1.15 H new ATOM 1092 N LEU A 76 -16.388 -8.382 0.533 1.00 0.74 N ATOM 1093 CA LEU A 76 -15.400 -7.367 1.002 1.00 0.80 C ATOM 1094 C LEU A 76 -15.908 -5.951 0.683 1.00 0.75 C ATOM 1095 O LEU A 76 -15.791 -5.049 1.485 1.00 0.81 O ATOM 1096 CB LEU A 76 -14.043 -7.612 0.314 1.00 0.92 C ATOM 1097 CG LEU A 76 -12.882 -7.223 1.253 1.00 1.00 C ATOM 1098 CD1 LEU A 76 -12.564 -8.388 2.198 1.00 1.57 C ATOM 1099 CD2 LEU A 76 -11.636 -6.898 0.423 1.00 1.51 C ATOM 0 H LEU A 76 -16.055 -9.015 -0.194 1.00 0.74 H new ATOM 0 HA LEU A 76 -15.275 -7.458 2.081 1.00 0.80 H new ATOM 0 HB2 LEU A 76 -13.955 -8.662 0.033 1.00 0.92 H new ATOM 0 HB3 LEU A 76 -13.985 -7.030 -0.606 1.00 0.92 H new ATOM 0 HG LEU A 76 -13.175 -6.350 1.836 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -11.744 -8.107 2.858 1.00 1.57 H new ATOM 0 HD12 LEU A 76 -13.445 -8.624 2.794 1.00 1.57 H new ATOM 0 HD13 LEU A 76 -12.277 -9.262 1.614 1.00 1.57 H new ATOM 0 HD21 LEU A 76 -10.817 -6.623 1.088 1.00 1.51 H new ATOM 0 HD22 LEU A 76 -11.351 -7.772 -0.162 1.00 1.51 H new ATOM 0 HD23 LEU A 76 -11.852 -6.067 -0.248 1.00 1.51 H new ATOM 1111 N GLN A 77 -16.511 -5.764 -0.456 1.00 0.76 N ATOM 1112 CA GLN A 77 -17.054 -4.415 -0.792 1.00 0.74 C ATOM 1113 C GLN A 77 -18.172 -4.067 0.195 1.00 0.71 C ATOM 1114 O GLN A 77 -18.309 -2.932 0.609 1.00 0.72 O ATOM 1115 CB GLN A 77 -17.601 -4.414 -2.221 1.00 0.71 C ATOM 1116 CG GLN A 77 -17.974 -2.987 -2.634 1.00 1.26 C ATOM 1117 CD GLN A 77 -18.730 -3.024 -3.963 1.00 1.59 C ATOM 1118 OE1 GLN A 77 -18.219 -2.596 -4.978 1.00 2.35 O ATOM 1119 NE2 GLN A 77 -19.937 -3.521 -4.000 1.00 2.03 N ATOM 0 H GLN A 77 -16.652 -6.481 -1.167 1.00 0.76 H new ATOM 0 HA GLN A 77 -16.259 -3.673 -0.721 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -16.855 -4.817 -2.906 1.00 0.71 H new ATOM 0 HB3 GLN A 77 -18.476 -5.061 -2.286 1.00 0.71 H new ATOM 0 HG2 GLN A 77 -18.591 -2.524 -1.865 1.00 1.26 H new ATOM 0 HG3 GLN A 77 -17.075 -2.378 -2.731 1.00 1.26 H new ATOM 0 HE21 GLN A 77 -20.367 -3.881 -3.148 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -20.450 -3.550 -4.881 1.00 2.03 H new ATOM 1128 N ARG A 78 -18.963 -5.021 0.592 1.00 0.72 N ATOM 1129 CA ARG A 78 -20.051 -4.712 1.561 1.00 0.73 C ATOM 1130 C ARG A 78 -19.443 -4.335 2.912 1.00 0.75 C ATOM 1131 O ARG A 78 -19.911 -3.431 3.577 1.00 0.79 O ATOM 1132 CB ARG A 78 -20.951 -5.937 1.731 1.00 0.74 C ATOM 1133 CG ARG A 78 -22.190 -5.552 2.543 1.00 0.94 C ATOM 1134 CD ARG A 78 -22.997 -6.810 2.864 1.00 1.23 C ATOM 1135 NE ARG A 78 -23.258 -7.564 1.606 1.00 1.80 N ATOM 1136 CZ ARG A 78 -23.664 -8.803 1.658 1.00 2.50 C ATOM 1137 NH1 ARG A 78 -23.840 -9.385 2.813 1.00 2.83 N ATOM 1138 NH2 ARG A 78 -23.892 -9.461 0.554 1.00 3.41 N ATOM 0 H ARG A 78 -18.906 -5.994 0.291 1.00 0.72 H new ATOM 0 HA ARG A 78 -20.642 -3.878 1.184 1.00 0.73 H new ATOM 0 HB2 ARG A 78 -21.248 -6.322 0.755 1.00 0.74 H new ATOM 0 HB3 ARG A 78 -20.406 -6.735 2.236 1.00 0.74 H new ATOM 0 HG2 ARG A 78 -21.893 -5.052 3.465 1.00 0.94 H new ATOM 0 HG3 ARG A 78 -22.802 -4.847 1.981 1.00 0.94 H new ATOM 0 HD2 ARG A 78 -22.451 -7.436 3.570 1.00 1.23 H new ATOM 0 HD3 ARG A 78 -23.939 -6.539 3.341 1.00 1.23 H new ATOM 0 HE ARG A 78 -23.119 -7.111 0.703 1.00 1.80 H new ATOM 0 HH11 ARG A 78 -23.660 -8.871 3.676 1.00 2.83 H new ATOM 0 HH12 ARG A 78 -24.157 -10.354 2.853 1.00 2.83 H new ATOM 0 HH21 ARG A 78 -23.753 -9.007 -0.349 1.00 3.41 H new ATOM 0 HH22 ARG A 78 -24.209 -10.430 0.594 1.00 3.41 H new ATOM 1152 N MET A 79 -18.403 -5.005 3.331 1.00 0.75 N ATOM 1153 CA MET A 79 -17.783 -4.659 4.640 1.00 0.77 C ATOM 1154 C MET A 79 -17.214 -3.241 4.564 1.00 0.77 C ATOM 1155 O MET A 79 -17.465 -2.417 5.421 1.00 0.78 O ATOM 1156 CB MET A 79 -16.661 -5.652 4.954 1.00 0.81 C ATOM 1157 CG MET A 79 -17.265 -6.980 5.418 1.00 1.08 C ATOM 1158 SD MET A 79 -15.937 -8.170 5.735 1.00 1.07 S ATOM 1159 CE MET A 79 -15.610 -7.704 7.454 1.00 0.81 C ATOM 0 H MET A 79 -17.959 -5.772 2.826 1.00 0.75 H new ATOM 0 HA MET A 79 -18.534 -4.709 5.429 1.00 0.77 H new ATOM 0 HB2 MET A 79 -16.044 -5.811 4.069 1.00 0.81 H new ATOM 0 HB3 MET A 79 -16.009 -5.247 5.728 1.00 0.81 H new ATOM 0 HG2 MET A 79 -17.854 -6.827 6.322 1.00 1.08 H new ATOM 0 HG3 MET A 79 -17.942 -7.369 4.658 1.00 1.08 H new ATOM 0 HE1 MET A 79 -14.561 -7.886 7.687 1.00 0.81 H new ATOM 0 HE2 MET A 79 -15.835 -6.647 7.593 1.00 0.81 H new ATOM 0 HE3 MET A 79 -16.237 -8.299 8.118 1.00 0.81 H new ATOM 1169 N ILE A 80 -16.458 -2.941 3.539 1.00 0.77 N ATOM 1170 CA ILE A 80 -15.894 -1.568 3.413 1.00 0.80 C ATOM 1171 C ILE A 80 -17.029 -0.551 3.601 1.00 0.80 C ATOM 1172 O ILE A 80 -16.815 0.555 4.056 1.00 0.83 O ATOM 1173 CB ILE A 80 -15.239 -1.395 2.040 1.00 0.82 C ATOM 1174 CG1 ILE A 80 -14.042 -2.348 1.942 1.00 0.84 C ATOM 1175 CG2 ILE A 80 -14.751 0.049 1.878 1.00 0.89 C ATOM 1176 CD1 ILE A 80 -13.473 -2.326 0.522 1.00 1.10 C ATOM 0 H ILE A 80 -16.209 -3.585 2.788 1.00 0.77 H new ATOM 0 HA ILE A 80 -15.132 -1.406 4.175 1.00 0.80 H new ATOM 0 HB ILE A 80 -15.963 -1.619 1.256 1.00 0.82 H new ATOM 0 HG12 ILE A 80 -13.273 -2.054 2.656 1.00 0.84 H new ATOM 0 HG13 ILE A 80 -14.350 -3.360 2.204 1.00 0.84 H new ATOM 0 HG21 ILE A 80 -14.285 0.168 0.900 1.00 0.89 H new ATOM 0 HG22 ILE A 80 -15.597 0.731 1.963 1.00 0.89 H new ATOM 0 HG23 ILE A 80 -14.023 0.276 2.656 1.00 0.89 H new ATOM 0 HD11 ILE A 80 -12.623 -3.005 0.460 1.00 1.10 H new ATOM 0 HD12 ILE A 80 -14.242 -2.642 -0.183 1.00 1.10 H new ATOM 0 HD13 ILE A 80 -13.148 -1.315 0.276 1.00 1.10 H new ATOM 1188 N ALA A 81 -18.233 -0.916 3.255 1.00 0.78 N ATOM 1189 CA ALA A 81 -19.376 0.029 3.422 1.00 0.80 C ATOM 1190 C ALA A 81 -19.816 0.061 4.894 1.00 0.81 C ATOM 1191 O ALA A 81 -20.529 0.948 5.319 1.00 0.85 O ATOM 1192 CB ALA A 81 -20.547 -0.440 2.561 1.00 0.79 C ATOM 0 H ALA A 81 -18.476 -1.826 2.864 1.00 0.78 H new ATOM 0 HA ALA A 81 -19.064 1.027 3.115 1.00 0.80 H new ATOM 0 HB1 ALA A 81 -21.384 0.248 2.680 1.00 0.79 H new ATOM 0 HB2 ALA A 81 -20.243 -0.464 1.515 1.00 0.79 H new ATOM 0 HB3 ALA A 81 -20.851 -1.439 2.873 1.00 0.79 H new ATOM 1198 N ALA A 82 -19.407 -0.909 5.667 1.00 0.78 N ATOM 1199 CA ALA A 82 -19.808 -0.956 7.107 1.00 0.80 C ATOM 1200 C ALA A 82 -18.842 -0.131 7.969 1.00 0.79 C ATOM 1201 O ALA A 82 -19.113 0.139 9.123 1.00 0.83 O ATOM 1202 CB ALA A 82 -19.790 -2.411 7.582 1.00 0.87 C ATOM 0 H ALA A 82 -18.808 -1.677 5.363 1.00 0.78 H new ATOM 0 HA ALA A 82 -20.809 -0.536 7.207 1.00 0.80 H new ATOM 0 HB1 ALA A 82 -20.081 -2.455 8.631 1.00 0.87 H new ATOM 0 HB2 ALA A 82 -20.490 -2.997 6.986 1.00 0.87 H new ATOM 0 HB3 ALA A 82 -18.786 -2.819 7.467 1.00 0.87 H new ATOM 1208 N VAL A 83 -17.719 0.264 7.430 1.00 0.80 N ATOM 1209 CA VAL A 83 -16.736 1.065 8.233 1.00 0.85 C ATOM 1210 C VAL A 83 -16.978 2.558 7.976 1.00 0.99 C ATOM 1211 O VAL A 83 -16.607 3.105 6.958 1.00 1.36 O ATOM 1212 CB VAL A 83 -15.303 0.662 7.837 1.00 0.97 C ATOM 1213 CG1 VAL A 83 -15.202 0.500 6.323 1.00 1.81 C ATOM 1214 CG2 VAL A 83 -14.300 1.719 8.312 1.00 1.40 C ATOM 0 H VAL A 83 -17.436 0.069 6.470 1.00 0.80 H new ATOM 0 HA VAL A 83 -16.866 0.868 9.297 1.00 0.85 H new ATOM 0 HB VAL A 83 -15.067 -0.289 8.315 1.00 0.97 H new ATOM 0 HG11 VAL A 83 -14.185 0.215 6.055 1.00 1.81 H new ATOM 0 HG12 VAL A 83 -15.895 -0.274 5.993 1.00 1.81 H new ATOM 0 HG13 VAL A 83 -15.454 1.443 5.839 1.00 1.81 H new ATOM 0 HG21 VAL A 83 -13.292 1.419 8.024 1.00 1.40 H new ATOM 0 HG22 VAL A 83 -14.538 2.679 7.853 1.00 1.40 H new ATOM 0 HG23 VAL A 83 -14.355 1.812 9.397 1.00 1.40 H new ATOM 1273 N PRO A 88 -10.836 9.186 9.260 1.00 0.77 N ATOM 1274 CA PRO A 88 -10.051 8.293 8.376 1.00 0.83 C ATOM 1275 C PRO A 88 -8.569 8.295 8.768 1.00 0.73 C ATOM 1276 O PRO A 88 -7.835 7.378 8.455 1.00 0.72 O ATOM 1277 CB PRO A 88 -10.255 8.867 6.950 1.00 1.01 C ATOM 1278 CG PRO A 88 -11.275 10.036 7.056 1.00 1.07 C ATOM 1279 CD PRO A 88 -11.605 10.236 8.551 1.00 0.83 C ATOM 0 HA PRO A 88 -10.376 7.255 8.448 1.00 0.83 H new ATOM 0 HB2 PRO A 88 -9.309 9.220 6.540 1.00 1.01 H new ATOM 0 HB3 PRO A 88 -10.626 8.095 6.276 1.00 1.01 H new ATOM 0 HG2 PRO A 88 -10.857 10.948 6.631 1.00 1.07 H new ATOM 0 HG3 PRO A 88 -12.179 9.807 6.492 1.00 1.07 H new ATOM 0 HD2 PRO A 88 -11.317 11.232 8.889 1.00 0.83 H new ATOM 0 HD3 PRO A 88 -12.674 10.134 8.736 1.00 0.83 H new ATOM 1287 N ARG A 89 -8.123 9.312 9.447 1.00 0.75 N ATOM 1288 CA ARG A 89 -6.690 9.360 9.850 1.00 0.73 C ATOM 1289 C ARG A 89 -6.437 8.299 10.928 1.00 0.67 C ATOM 1290 O ARG A 89 -5.448 7.594 10.898 1.00 0.68 O ATOM 1291 CB ARG A 89 -6.344 10.770 10.380 1.00 0.79 C ATOM 1292 CG ARG A 89 -7.597 11.433 10.964 1.00 1.63 C ATOM 1293 CD ARG A 89 -7.210 12.736 11.664 1.00 1.65 C ATOM 1294 NE ARG A 89 -8.434 13.364 12.239 1.00 2.07 N ATOM 1295 CZ ARG A 89 -8.327 14.331 13.109 1.00 2.47 C ATOM 1296 NH1 ARG A 89 -7.148 14.758 13.468 1.00 2.69 N ATOM 1297 NH2 ARG A 89 -9.400 14.872 13.617 1.00 3.10 N ATOM 0 H ARG A 89 -8.686 10.111 9.740 1.00 0.75 H new ATOM 0 HA ARG A 89 -6.054 9.151 8.990 1.00 0.73 H new ATOM 0 HB2 ARG A 89 -5.570 10.700 11.144 1.00 0.79 H new ATOM 0 HB3 ARG A 89 -5.941 11.382 9.573 1.00 0.79 H new ATOM 0 HG2 ARG A 89 -8.317 11.635 10.171 1.00 1.63 H new ATOM 0 HG3 ARG A 89 -8.081 10.759 11.671 1.00 1.63 H new ATOM 0 HD2 ARG A 89 -6.484 12.538 12.452 1.00 1.65 H new ATOM 0 HD3 ARG A 89 -6.735 13.416 10.957 1.00 1.65 H new ATOM 0 HE ARG A 89 -9.357 13.037 11.952 1.00 2.07 H new ATOM 0 HH11 ARG A 89 -6.309 14.336 13.069 1.00 2.69 H new ATOM 0 HH12 ARG A 89 -7.065 15.514 14.148 1.00 2.69 H new ATOM 0 HH21 ARG A 89 -10.322 14.539 13.334 1.00 3.10 H new ATOM 0 HH22 ARG A 89 -9.317 15.628 14.297 1.00 3.10 H new ATOM 1311 N GLU A 90 -7.320 8.184 11.883 1.00 0.65 N ATOM 1312 CA GLU A 90 -7.130 7.174 12.966 1.00 0.65 C ATOM 1313 C GLU A 90 -7.309 5.758 12.401 1.00 0.64 C ATOM 1314 O GLU A 90 -6.492 4.891 12.638 1.00 0.67 O ATOM 1315 CB GLU A 90 -8.168 7.418 14.070 1.00 0.71 C ATOM 1316 CG GLU A 90 -7.724 8.588 14.952 1.00 1.32 C ATOM 1317 CD GLU A 90 -7.465 9.821 14.085 1.00 2.02 C ATOM 1318 OE1 GLU A 90 -6.432 9.860 13.439 1.00 2.46 O ATOM 1319 OE2 GLU A 90 -8.305 10.707 14.084 1.00 2.78 O ATOM 0 H GLU A 90 -8.167 8.747 11.961 1.00 0.65 H new ATOM 0 HA GLU A 90 -6.124 7.269 13.375 1.00 0.65 H new ATOM 0 HB2 GLU A 90 -9.140 7.634 13.626 1.00 0.71 H new ATOM 0 HB3 GLU A 90 -8.286 6.519 14.675 1.00 0.71 H new ATOM 0 HG2 GLU A 90 -8.492 8.808 15.694 1.00 1.32 H new ATOM 0 HG3 GLU A 90 -6.820 8.320 15.499 1.00 1.32 H new ATOM 1326 N VAL A 91 -8.366 5.496 11.681 1.00 0.64 N ATOM 1327 CA VAL A 91 -8.576 4.114 11.147 1.00 0.67 C ATOM 1328 C VAL A 91 -7.391 3.730 10.253 1.00 0.66 C ATOM 1329 O VAL A 91 -6.893 2.623 10.300 1.00 0.67 O ATOM 1330 CB VAL A 91 -9.936 4.058 10.384 1.00 0.71 C ATOM 1331 CG1 VAL A 91 -10.851 5.137 10.964 1.00 0.80 C ATOM 1332 CG2 VAL A 91 -9.743 4.254 8.870 1.00 0.75 C ATOM 0 H VAL A 91 -9.090 6.172 11.439 1.00 0.64 H new ATOM 0 HA VAL A 91 -8.623 3.390 11.960 1.00 0.67 H new ATOM 0 HB VAL A 91 -10.387 3.074 10.515 1.00 0.71 H new ATOM 0 HG11 VAL A 91 -11.810 5.118 10.446 1.00 0.80 H new ATOM 0 HG12 VAL A 91 -11.008 4.948 12.026 1.00 0.80 H new ATOM 0 HG13 VAL A 91 -10.388 6.115 10.834 1.00 0.80 H new ATOM 0 HG21 VAL A 91 -10.711 4.209 8.371 1.00 0.75 H new ATOM 0 HG22 VAL A 91 -9.284 5.225 8.684 1.00 0.75 H new ATOM 0 HG23 VAL A 91 -9.097 3.467 8.481 1.00 0.75 H new ATOM 1342 N PHE A 92 -6.948 4.643 9.436 1.00 0.64 N ATOM 1343 CA PHE A 92 -5.806 4.350 8.529 1.00 0.65 C ATOM 1344 C PHE A 92 -4.604 3.850 9.332 1.00 0.62 C ATOM 1345 O PHE A 92 -3.969 2.881 8.965 1.00 0.67 O ATOM 1346 CB PHE A 92 -5.417 5.627 7.782 1.00 0.65 C ATOM 1347 CG PHE A 92 -4.337 5.312 6.775 1.00 0.65 C ATOM 1348 CD1 PHE A 92 -2.993 5.310 7.168 1.00 1.44 C ATOM 1349 CD2 PHE A 92 -4.680 5.023 5.449 1.00 1.31 C ATOM 1350 CE1 PHE A 92 -1.992 5.018 6.234 1.00 1.47 C ATOM 1351 CE2 PHE A 92 -3.678 4.732 4.516 1.00 1.31 C ATOM 1352 CZ PHE A 92 -2.334 4.729 4.908 1.00 0.73 C ATOM 0 H PHE A 92 -7.331 5.585 9.357 1.00 0.64 H new ATOM 0 HA PHE A 92 -6.105 3.577 7.820 1.00 0.65 H new ATOM 0 HB2 PHE A 92 -6.288 6.046 7.278 1.00 0.65 H new ATOM 0 HB3 PHE A 92 -5.064 6.380 8.487 1.00 0.65 H new ATOM 0 HD1 PHE A 92 -2.729 5.534 8.191 1.00 1.44 H new ATOM 0 HD2 PHE A 92 -5.717 5.025 5.146 1.00 1.31 H new ATOM 0 HE1 PHE A 92 -0.955 5.016 6.537 1.00 1.47 H new ATOM 0 HE2 PHE A 92 -3.942 4.510 3.493 1.00 1.31 H new ATOM 0 HZ PHE A 92 -1.562 4.504 4.188 1.00 0.73 H new ATOM 1362 N PHE A 93 -4.265 4.504 10.413 1.00 0.58 N ATOM 1363 CA PHE A 93 -3.083 4.049 11.204 1.00 0.57 C ATOM 1364 C PHE A 93 -3.468 2.828 12.047 1.00 0.59 C ATOM 1365 O PHE A 93 -2.663 1.948 12.275 1.00 0.60 O ATOM 1366 CB PHE A 93 -2.592 5.195 12.101 1.00 0.57 C ATOM 1367 CG PHE A 93 -1.593 4.679 13.115 1.00 0.56 C ATOM 1368 CD1 PHE A 93 -0.332 4.246 12.692 1.00 1.15 C ATOM 1369 CD2 PHE A 93 -1.929 4.634 14.476 1.00 1.47 C ATOM 1370 CE1 PHE A 93 0.595 3.769 13.627 1.00 1.07 C ATOM 1371 CE2 PHE A 93 -1.001 4.157 15.410 1.00 1.58 C ATOM 1372 CZ PHE A 93 0.260 3.725 14.986 1.00 0.70 C ATOM 0 H PHE A 93 -4.749 5.324 10.779 1.00 0.58 H new ATOM 0 HA PHE A 93 -2.276 3.765 10.529 1.00 0.57 H new ATOM 0 HB2 PHE A 93 -2.132 5.972 11.490 1.00 0.57 H new ATOM 0 HB3 PHE A 93 -3.438 5.652 12.614 1.00 0.57 H new ATOM 0 HD1 PHE A 93 -0.073 4.280 11.644 1.00 1.15 H new ATOM 0 HD2 PHE A 93 -2.903 4.967 14.803 1.00 1.47 H new ATOM 0 HE1 PHE A 93 1.569 3.435 13.300 1.00 1.07 H new ATOM 0 HE2 PHE A 93 -1.259 4.123 16.458 1.00 1.58 H new ATOM 0 HZ PHE A 93 0.975 3.357 15.707 1.00 0.70 H new ATOM 1382 N ARG A 94 -4.686 2.760 12.510 1.00 0.62 N ATOM 1383 CA ARG A 94 -5.093 1.584 13.332 1.00 0.67 C ATOM 1384 C ARG A 94 -5.179 0.349 12.431 1.00 0.66 C ATOM 1385 O ARG A 94 -4.565 -0.664 12.702 1.00 0.67 O ATOM 1386 CB ARG A 94 -6.460 1.864 14.005 1.00 0.72 C ATOM 1387 CG ARG A 94 -6.399 1.569 15.513 1.00 0.89 C ATOM 1388 CD ARG A 94 -6.270 0.060 15.750 1.00 1.00 C ATOM 1389 NE ARG A 94 -5.870 -0.179 17.166 1.00 1.95 N ATOM 1390 CZ ARG A 94 -5.982 -1.369 17.688 1.00 2.64 C ATOM 1391 NH1 ARG A 94 -6.436 -2.359 16.969 1.00 2.76 N ATOM 1392 NH2 ARG A 94 -5.638 -1.569 18.931 1.00 3.65 N ATOM 0 H ARG A 94 -5.411 3.460 12.357 1.00 0.62 H new ATOM 0 HA ARG A 94 -4.355 1.404 14.114 1.00 0.67 H new ATOM 0 HB2 ARG A 94 -6.742 2.905 13.845 1.00 0.72 H new ATOM 0 HB3 ARG A 94 -7.231 1.249 13.541 1.00 0.72 H new ATOM 0 HG2 ARG A 94 -5.551 2.089 15.959 1.00 0.89 H new ATOM 0 HG3 ARG A 94 -7.297 1.946 16.002 1.00 0.89 H new ATOM 0 HD2 ARG A 94 -7.217 -0.436 15.538 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -5.529 -0.365 15.073 1.00 1.00 H new ATOM 0 HE ARG A 94 -5.507 0.591 17.729 1.00 1.95 H new ATOM 0 HH11 ARG A 94 -6.704 -2.203 15.997 1.00 2.76 H new ATOM 0 HH12 ARG A 94 -6.523 -3.289 17.379 1.00 2.76 H new ATOM 0 HH21 ARG A 94 -5.282 -0.795 19.493 1.00 3.65 H new ATOM 0 HH22 ARG A 94 -5.725 -2.499 19.341 1.00 3.65 H new ATOM 1406 N VAL A 95 -5.926 0.408 11.361 1.00 0.65 N ATOM 1407 CA VAL A 95 -6.030 -0.772 10.463 1.00 0.66 C ATOM 1408 C VAL A 95 -4.649 -1.122 9.905 1.00 0.66 C ATOM 1409 O VAL A 95 -4.267 -2.274 9.848 1.00 0.67 O ATOM 1410 CB VAL A 95 -6.972 -0.420 9.306 1.00 0.64 C ATOM 1411 CG1 VAL A 95 -7.065 -1.598 8.335 1.00 1.27 C ATOM 1412 CG2 VAL A 95 -8.364 -0.112 9.863 1.00 1.08 C ATOM 0 H VAL A 95 -6.467 1.223 11.072 1.00 0.65 H new ATOM 0 HA VAL A 95 -6.415 -1.627 11.018 1.00 0.66 H new ATOM 0 HB VAL A 95 -6.584 0.451 8.778 1.00 0.64 H new ATOM 0 HG11 VAL A 95 -7.736 -1.342 7.515 1.00 1.27 H new ATOM 0 HG12 VAL A 95 -6.075 -1.821 7.938 1.00 1.27 H new ATOM 0 HG13 VAL A 95 -7.451 -2.472 8.859 1.00 1.27 H new ATOM 0 HG21 VAL A 95 -9.037 0.139 9.043 1.00 1.08 H new ATOM 0 HG22 VAL A 95 -8.746 -0.986 10.391 1.00 1.08 H new ATOM 0 HG23 VAL A 95 -8.302 0.730 10.552 1.00 1.08 H new ATOM 1422 N ALA A 96 -3.907 -0.141 9.465 1.00 0.65 N ATOM 1423 CA ALA A 96 -2.568 -0.431 8.884 1.00 0.68 C ATOM 1424 C ALA A 96 -1.713 -1.192 9.900 1.00 0.70 C ATOM 1425 O ALA A 96 -0.928 -2.054 9.560 1.00 0.76 O ATOM 1426 CB ALA A 96 -1.886 0.884 8.499 1.00 0.69 C ATOM 0 H ALA A 96 -4.170 0.844 9.483 1.00 0.65 H new ATOM 0 HA ALA A 96 -2.684 -1.049 7.993 1.00 0.68 H new ATOM 0 HB1 ALA A 96 -0.905 0.674 8.073 1.00 0.69 H new ATOM 0 HB2 ALA A 96 -2.496 1.409 7.764 1.00 0.69 H new ATOM 0 HB3 ALA A 96 -1.771 1.507 9.386 1.00 0.69 H new ATOM 1432 N ALA A 97 -1.879 -0.863 11.154 1.00 0.74 N ATOM 1433 CA ALA A 97 -1.103 -1.538 12.234 1.00 0.78 C ATOM 1434 C ALA A 97 -1.679 -2.930 12.485 1.00 0.79 C ATOM 1435 O ALA A 97 -0.971 -3.851 12.842 1.00 0.83 O ATOM 1436 CB ALA A 97 -1.211 -0.714 13.519 1.00 0.77 C ATOM 0 H ALA A 97 -2.528 -0.146 11.479 1.00 0.74 H new ATOM 0 HA ALA A 97 -0.059 -1.624 11.932 1.00 0.78 H new ATOM 0 HB1 ALA A 97 -0.646 -1.202 14.313 1.00 0.77 H new ATOM 0 HB2 ALA A 97 -0.807 0.284 13.347 1.00 0.77 H new ATOM 0 HB3 ALA A 97 -2.257 -0.636 13.814 1.00 0.77 H new ATOM 1442 N ASP A 98 -2.958 -3.093 12.299 1.00 0.78 N ATOM 1443 CA ASP A 98 -3.575 -4.427 12.525 1.00 0.82 C ATOM 1444 C ASP A 98 -3.011 -5.434 11.521 1.00 0.83 C ATOM 1445 O ASP A 98 -2.829 -6.591 11.844 1.00 0.88 O ATOM 1446 CB ASP A 98 -5.096 -4.332 12.378 1.00 0.82 C ATOM 1447 CG ASP A 98 -5.671 -3.503 13.529 1.00 1.47 C ATOM 1448 OD1 ASP A 98 -5.425 -3.858 14.670 1.00 2.13 O ATOM 1449 OD2 ASP A 98 -6.348 -2.527 13.249 1.00 2.19 O ATOM 0 H ASP A 98 -3.602 -2.360 12.000 1.00 0.78 H new ATOM 0 HA ASP A 98 -3.341 -4.763 13.535 1.00 0.82 H new ATOM 0 HB2 ASP A 98 -5.351 -3.873 11.423 1.00 0.82 H new ATOM 0 HB3 ASP A 98 -5.535 -5.330 12.380 1.00 0.82 H new ATOM 1454 N MET A 99 -2.766 -5.042 10.303 1.00 0.81 N ATOM 1455 CA MET A 99 -2.256 -6.033 9.314 1.00 0.85 C ATOM 1456 C MET A 99 -1.015 -6.746 9.881 1.00 0.97 C ATOM 1457 O MET A 99 -0.745 -7.887 9.565 1.00 1.14 O ATOM 1458 CB MET A 99 -1.905 -5.300 7.993 1.00 0.79 C ATOM 1459 CG MET A 99 -2.790 -5.799 6.845 1.00 0.81 C ATOM 1460 SD MET A 99 -4.493 -5.244 7.116 1.00 0.97 S ATOM 1461 CE MET A 99 -4.459 -3.815 6.005 1.00 0.48 C ATOM 0 H MET A 99 -2.894 -4.093 9.952 1.00 0.81 H new ATOM 0 HA MET A 99 -3.022 -6.782 9.114 1.00 0.85 H new ATOM 0 HB2 MET A 99 -2.038 -4.226 8.121 1.00 0.79 H new ATOM 0 HB3 MET A 99 -0.856 -5.464 7.748 1.00 0.79 H new ATOM 0 HG2 MET A 99 -2.419 -5.419 5.893 1.00 0.81 H new ATOM 0 HG3 MET A 99 -2.754 -6.887 6.790 1.00 0.81 H new ATOM 0 HE1 MET A 99 -5.429 -3.319 6.021 1.00 0.48 H new ATOM 0 HE2 MET A 99 -3.689 -3.117 6.333 1.00 0.48 H new ATOM 0 HE3 MET A 99 -4.238 -4.148 4.991 1.00 0.48 H new ATOM 1600 N ARG A 109 1.646 -8.799 2.640 1.00 0.86 N ATOM 1601 CA ARG A 109 0.613 -8.015 3.357 1.00 0.87 C ATOM 1602 C ARG A 109 0.654 -6.585 2.826 1.00 0.70 C ATOM 1603 O ARG A 109 -0.333 -5.880 2.792 1.00 0.81 O ATOM 1604 CB ARG A 109 0.873 -8.027 4.864 1.00 1.08 C ATOM 1605 CG ARG A 109 0.508 -9.399 5.445 1.00 1.48 C ATOM 1606 CD ARG A 109 0.642 -9.384 6.979 1.00 1.96 C ATOM 1607 NE ARG A 109 -0.374 -10.308 7.559 1.00 2.74 N ATOM 1608 CZ ARG A 109 -0.302 -10.658 8.813 1.00 3.19 C ATOM 1609 NH1 ARG A 109 0.658 -10.196 9.566 1.00 3.19 N ATOM 1610 NH2 ARG A 109 -1.194 -11.467 9.315 1.00 4.08 N ATOM 0 HA ARG A 109 -0.370 -8.455 3.188 1.00 0.87 H new ATOM 0 HB2 ARG A 109 1.922 -7.805 5.063 1.00 1.08 H new ATOM 0 HB3 ARG A 109 0.285 -7.248 5.350 1.00 1.08 H new ATOM 0 HG2 ARG A 109 -0.513 -9.660 5.165 1.00 1.48 H new ATOM 0 HG3 ARG A 109 1.160 -10.165 5.024 1.00 1.48 H new ATOM 0 HD2 ARG A 109 1.645 -9.693 7.273 1.00 1.96 H new ATOM 0 HD3 ARG A 109 0.495 -8.374 7.361 1.00 1.96 H new ATOM 0 HE ARG A 109 -1.128 -10.667 6.973 1.00 2.74 H new ATOM 0 HH11 ARG A 109 1.353 -9.561 9.174 1.00 3.19 H new ATOM 0 HH12 ARG A 109 0.714 -10.470 10.547 1.00 3.19 H new ATOM 0 HH21 ARG A 109 -1.946 -11.825 8.727 1.00 4.08 H new ATOM 0 HH22 ARG A 109 -1.139 -11.742 10.296 1.00 4.08 H new ATOM 1624 N VAL A 110 1.827 -6.158 2.419 1.00 0.60 N ATOM 1625 CA VAL A 110 1.982 -4.779 1.892 1.00 0.68 C ATOM 1626 C VAL A 110 1.050 -4.601 0.700 1.00 0.56 C ATOM 1627 O VAL A 110 0.457 -3.553 0.530 1.00 0.60 O ATOM 1628 CB VAL A 110 3.440 -4.529 1.474 1.00 0.88 C ATOM 1629 CG1 VAL A 110 3.744 -5.305 0.183 1.00 1.27 C ATOM 1630 CG2 VAL A 110 3.665 -3.033 1.234 1.00 1.73 C ATOM 0 H VAL A 110 2.682 -6.713 2.432 1.00 0.60 H new ATOM 0 HA VAL A 110 1.724 -4.058 2.668 1.00 0.68 H new ATOM 0 HB VAL A 110 4.103 -4.868 2.270 1.00 0.88 H new ATOM 0 HG11 VAL A 110 4.778 -5.128 -0.113 1.00 1.27 H new ATOM 0 HG12 VAL A 110 3.594 -6.371 0.355 1.00 1.27 H new ATOM 0 HG13 VAL A 110 3.076 -4.968 -0.610 1.00 1.27 H new ATOM 0 HG21 VAL A 110 4.700 -2.864 0.938 1.00 1.73 H new ATOM 0 HG22 VAL A 110 3.000 -2.687 0.442 1.00 1.73 H new ATOM 0 HG23 VAL A 110 3.455 -2.482 2.151 1.00 1.73 H new ATOM 1640 N VAL A 111 0.882 -5.599 -0.129 1.00 0.51 N ATOM 1641 CA VAL A 111 -0.043 -5.428 -1.276 1.00 0.50 C ATOM 1642 C VAL A 111 -1.397 -4.996 -0.718 1.00 0.46 C ATOM 1643 O VAL A 111 -2.028 -4.081 -1.207 1.00 0.47 O ATOM 1644 CB VAL A 111 -0.171 -6.758 -2.022 1.00 0.58 C ATOM 1645 CG1 VAL A 111 -1.195 -6.626 -3.150 1.00 1.41 C ATOM 1646 CG2 VAL A 111 1.192 -7.136 -2.609 1.00 1.36 C ATOM 0 H VAL A 111 1.339 -6.508 -0.060 1.00 0.51 H new ATOM 0 HA VAL A 111 0.328 -4.677 -1.973 1.00 0.50 H new ATOM 0 HB VAL A 111 -0.503 -7.532 -1.330 1.00 0.58 H new ATOM 0 HG11 VAL A 111 -1.281 -7.576 -3.677 1.00 1.41 H new ATOM 0 HG12 VAL A 111 -2.164 -6.354 -2.732 1.00 1.41 H new ATOM 0 HG13 VAL A 111 -0.871 -5.853 -3.847 1.00 1.41 H new ATOM 0 HG21 VAL A 111 1.109 -8.083 -3.142 1.00 1.36 H new ATOM 0 HG22 VAL A 111 1.519 -6.358 -3.299 1.00 1.36 H new ATOM 0 HG23 VAL A 111 1.920 -7.236 -1.804 1.00 1.36 H new ATOM 1656 N ALA A 112 -1.830 -5.650 0.330 1.00 0.45 N ATOM 1657 CA ALA A 112 -3.136 -5.278 0.963 1.00 0.47 C ATOM 1658 C ALA A 112 -3.066 -3.825 1.471 1.00 0.46 C ATOM 1659 O ALA A 112 -4.076 -3.169 1.626 1.00 0.54 O ATOM 1660 CB ALA A 112 -3.436 -6.238 2.130 1.00 0.53 C ATOM 0 H ALA A 112 -1.338 -6.425 0.776 1.00 0.45 H new ATOM 0 HA ALA A 112 -3.936 -5.357 0.227 1.00 0.47 H new ATOM 0 HB1 ALA A 112 -4.386 -5.966 2.590 1.00 0.53 H new ATOM 0 HB2 ALA A 112 -3.493 -7.260 1.755 1.00 0.53 H new ATOM 0 HB3 ALA A 112 -2.641 -6.168 2.872 1.00 0.53 H new ATOM 1666 N LEU A 113 -1.894 -3.313 1.710 1.00 0.43 N ATOM 1667 CA LEU A 113 -1.776 -1.900 2.183 1.00 0.43 C ATOM 1668 C LEU A 113 -2.041 -0.953 1.004 1.00 0.42 C ATOM 1669 O LEU A 113 -2.906 -0.102 1.059 1.00 0.45 O ATOM 1670 CB LEU A 113 -0.352 -1.672 2.727 1.00 0.44 C ATOM 1671 CG LEU A 113 -0.379 -0.643 3.867 1.00 0.51 C ATOM 1672 CD1 LEU A 113 1.037 -0.429 4.400 1.00 1.45 C ATOM 1673 CD2 LEU A 113 -0.937 0.683 3.348 1.00 1.27 C ATOM 0 H LEU A 113 -1.009 -3.809 1.600 1.00 0.43 H new ATOM 0 HA LEU A 113 -2.502 -1.705 2.973 1.00 0.43 H new ATOM 0 HB2 LEU A 113 0.063 -2.614 3.087 1.00 0.44 H new ATOM 0 HB3 LEU A 113 0.299 -1.322 1.926 1.00 0.44 H new ATOM 0 HG LEU A 113 -1.015 -1.013 4.671 1.00 0.51 H new ATOM 0 HD11 LEU A 113 1.015 0.302 5.209 1.00 1.45 H new ATOM 0 HD12 LEU A 113 1.431 -1.374 4.775 1.00 1.45 H new ATOM 0 HD13 LEU A 113 1.676 -0.062 3.597 1.00 1.45 H new ATOM 0 HD21 LEU A 113 -0.955 1.412 4.158 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -0.304 1.053 2.541 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -1.949 0.530 2.974 1.00 1.27 H new ATOM 1685 N PHE A 114 -1.316 -1.117 -0.068 1.00 0.40 N ATOM 1686 CA PHE A 114 -1.528 -0.256 -1.266 1.00 0.40 C ATOM 1687 C PHE A 114 -3.013 -0.231 -1.642 1.00 0.39 C ATOM 1688 O PHE A 114 -3.560 0.791 -2.004 1.00 0.41 O ATOM 1689 CB PHE A 114 -0.720 -0.826 -2.441 1.00 0.41 C ATOM 1690 CG PHE A 114 0.756 -0.523 -2.243 1.00 0.44 C ATOM 1691 CD1 PHE A 114 1.210 0.805 -2.234 1.00 1.29 C ATOM 1692 CD2 PHE A 114 1.672 -1.570 -2.067 1.00 1.27 C ATOM 1693 CE1 PHE A 114 2.572 1.080 -2.048 1.00 1.38 C ATOM 1694 CE2 PHE A 114 3.032 -1.293 -1.882 1.00 1.27 C ATOM 1695 CZ PHE A 114 3.481 0.031 -1.872 1.00 0.68 C ATOM 0 H PHE A 114 -0.580 -1.816 -0.166 1.00 0.40 H new ATOM 0 HA PHE A 114 -1.200 0.759 -1.041 1.00 0.40 H new ATOM 0 HB2 PHE A 114 -0.874 -1.903 -2.512 1.00 0.41 H new ATOM 0 HB3 PHE A 114 -1.068 -0.392 -3.378 1.00 0.41 H new ATOM 0 HD1 PHE A 114 0.510 1.616 -2.370 1.00 1.29 H new ATOM 0 HD2 PHE A 114 1.327 -2.594 -2.074 1.00 1.27 H new ATOM 0 HE1 PHE A 114 2.920 2.102 -2.041 1.00 1.38 H new ATOM 0 HE2 PHE A 114 3.734 -2.102 -1.747 1.00 1.27 H new ATOM 0 HZ PHE A 114 4.530 0.244 -1.728 1.00 0.68 H new ATOM 1705 N TYR A 115 -3.662 -1.363 -1.575 1.00 0.40 N ATOM 1706 CA TYR A 115 -5.105 -1.432 -1.945 1.00 0.41 C ATOM 1707 C TYR A 115 -5.976 -0.751 -0.884 1.00 0.41 C ATOM 1708 O TYR A 115 -6.851 0.029 -1.204 1.00 0.44 O ATOM 1709 CB TYR A 115 -5.524 -2.900 -2.080 1.00 0.44 C ATOM 1710 CG TYR A 115 -7.003 -2.987 -2.378 1.00 0.47 C ATOM 1711 CD1 TYR A 115 -7.929 -3.048 -1.328 1.00 1.28 C ATOM 1712 CD2 TYR A 115 -7.448 -3.009 -3.705 1.00 1.24 C ATOM 1713 CE1 TYR A 115 -9.299 -3.130 -1.606 1.00 1.32 C ATOM 1714 CE2 TYR A 115 -8.818 -3.092 -3.983 1.00 1.26 C ATOM 1715 CZ TYR A 115 -9.743 -3.152 -2.934 1.00 0.61 C ATOM 1716 OH TYR A 115 -11.093 -3.233 -3.208 1.00 0.70 O ATOM 0 H TYR A 115 -3.251 -2.248 -1.278 1.00 0.40 H new ATOM 0 HA TYR A 115 -5.245 -0.912 -2.893 1.00 0.41 H new ATOM 0 HB2 TYR A 115 -4.955 -3.378 -2.877 1.00 0.44 H new ATOM 0 HB3 TYR A 115 -5.297 -3.438 -1.160 1.00 0.44 H new ATOM 0 HD1 TYR A 115 -7.586 -3.032 -0.304 1.00 1.28 H new ATOM 0 HD2 TYR A 115 -6.735 -2.962 -4.515 1.00 1.24 H new ATOM 0 HE1 TYR A 115 -10.013 -3.176 -0.797 1.00 1.32 H new ATOM 0 HE2 TYR A 115 -9.161 -3.110 -5.007 1.00 1.26 H new ATOM 0 HH TYR A 115 -11.230 -3.237 -4.178 1.00 0.70 H new ATOM 1726 N PHE A 116 -5.764 -1.037 0.367 1.00 0.38 N ATOM 1727 CA PHE A 116 -6.609 -0.396 1.413 1.00 0.38 C ATOM 1728 C PHE A 116 -6.572 1.128 1.248 1.00 0.36 C ATOM 1729 O PHE A 116 -7.584 1.799 1.331 1.00 0.35 O ATOM 1730 CB PHE A 116 -6.081 -0.758 2.803 1.00 0.40 C ATOM 1731 CG PHE A 116 -6.946 -0.100 3.856 1.00 0.37 C ATOM 1732 CD1 PHE A 116 -8.136 -0.713 4.271 1.00 1.17 C ATOM 1733 CD2 PHE A 116 -6.558 1.124 4.416 1.00 1.35 C ATOM 1734 CE1 PHE A 116 -8.935 -0.103 5.246 1.00 1.18 C ATOM 1735 CE2 PHE A 116 -7.359 1.734 5.391 1.00 1.37 C ATOM 1736 CZ PHE A 116 -8.547 1.120 5.805 1.00 0.45 C ATOM 0 H PHE A 116 -5.050 -1.680 0.710 1.00 0.38 H new ATOM 0 HA PHE A 116 -7.633 -0.754 1.305 1.00 0.38 H new ATOM 0 HB2 PHE A 116 -6.087 -1.840 2.936 1.00 0.40 H new ATOM 0 HB3 PHE A 116 -5.047 -0.429 2.908 1.00 0.40 H new ATOM 0 HD1 PHE A 116 -8.437 -1.656 3.839 1.00 1.17 H new ATOM 0 HD2 PHE A 116 -5.642 1.598 4.096 1.00 1.35 H new ATOM 0 HE1 PHE A 116 -9.851 -0.577 5.567 1.00 1.18 H new ATOM 0 HE2 PHE A 116 -7.060 2.678 5.823 1.00 1.37 H new ATOM 0 HZ PHE A 116 -9.164 1.590 6.556 1.00 0.45 H new ATOM 1746 N ALA A 117 -5.411 1.681 1.014 1.00 0.35 N ATOM 1747 CA ALA A 117 -5.310 3.154 0.845 1.00 0.34 C ATOM 1748 C ALA A 117 -5.987 3.578 -0.460 1.00 0.34 C ATOM 1749 O ALA A 117 -6.626 4.607 -0.527 1.00 0.34 O ATOM 1750 CB ALA A 117 -3.835 3.566 0.811 1.00 0.37 C ATOM 0 H ALA A 117 -4.530 1.173 0.933 1.00 0.35 H new ATOM 0 HA ALA A 117 -5.808 3.643 1.682 1.00 0.34 H new ATOM 0 HB1 ALA A 117 -3.762 4.646 0.687 1.00 0.37 H new ATOM 0 HB2 ALA A 117 -3.354 3.274 1.745 1.00 0.37 H new ATOM 0 HB3 ALA A 117 -3.338 3.071 -0.023 1.00 0.37 H new ATOM 1756 N SER A 118 -5.860 2.798 -1.501 1.00 0.35 N ATOM 1757 CA SER A 118 -6.497 3.169 -2.796 1.00 0.37 C ATOM 1758 C SER A 118 -7.962 3.555 -2.583 1.00 0.36 C ATOM 1759 O SER A 118 -8.453 4.512 -3.147 1.00 0.36 O ATOM 1760 CB SER A 118 -6.426 1.979 -3.754 1.00 0.42 C ATOM 1761 OG SER A 118 -5.071 1.582 -3.913 1.00 1.25 O ATOM 0 H SER A 118 -5.342 1.919 -1.509 1.00 0.35 H new ATOM 0 HA SER A 118 -5.964 4.022 -3.216 1.00 0.37 H new ATOM 0 HB2 SER A 118 -7.016 1.149 -3.365 1.00 0.42 H new ATOM 0 HB3 SER A 118 -6.853 2.249 -4.720 1.00 0.42 H new ATOM 0 HG SER A 118 -4.764 1.131 -3.099 1.00 1.25 H new ATOM 1767 N LYS A 119 -8.653 2.834 -1.742 1.00 0.37 N ATOM 1768 CA LYS A 119 -10.076 3.175 -1.459 1.00 0.39 C ATOM 1769 C LYS A 119 -10.112 4.520 -0.726 1.00 0.36 C ATOM 1770 O LYS A 119 -10.810 5.427 -1.131 1.00 0.38 O ATOM 1771 CB LYS A 119 -10.713 2.081 -0.589 1.00 0.46 C ATOM 1772 CG LYS A 119 -10.279 0.689 -1.079 1.00 1.29 C ATOM 1773 CD LYS A 119 -10.634 0.490 -2.561 1.00 1.84 C ATOM 1774 CE LYS A 119 -12.138 0.690 -2.781 1.00 2.48 C ATOM 1775 NZ LYS A 119 -12.894 0.057 -1.663 1.00 3.36 N ATOM 0 H LYS A 119 -8.293 2.023 -1.239 1.00 0.37 H new ATOM 0 HA LYS A 119 -10.639 3.244 -2.390 1.00 0.39 H new ATOM 0 HB2 LYS A 119 -10.417 2.216 0.451 1.00 0.46 H new ATOM 0 HB3 LYS A 119 -11.799 2.164 -0.625 1.00 0.46 H new ATOM 0 HG2 LYS A 119 -9.205 0.569 -0.940 1.00 1.29 H new ATOM 0 HG3 LYS A 119 -10.766 -0.080 -0.479 1.00 1.29 H new ATOM 0 HD2 LYS A 119 -10.073 1.196 -3.174 1.00 1.84 H new ATOM 0 HD3 LYS A 119 -10.343 -0.511 -2.880 1.00 1.84 H new ATOM 0 HE2 LYS A 119 -12.370 1.754 -2.834 1.00 2.48 H new ATOM 0 HE3 LYS A 119 -12.439 0.250 -3.732 1.00 2.48 H new ATOM 0 HZ1 LYS A 119 -13.888 -0.065 -1.942 1.00 3.36 H new ATOM 0 HZ2 LYS A 119 -12.479 -0.871 -1.445 1.00 3.36 H new ATOM 0 HZ3 LYS A 119 -12.843 0.665 -0.821 1.00 3.36 H new ATOM 1789 N LEU A 120 -9.349 4.681 0.319 1.00 0.36 N ATOM 1790 CA LEU A 120 -9.336 5.997 1.031 1.00 0.35 C ATOM 1791 C LEU A 120 -9.156 7.118 -0.010 1.00 0.33 C ATOM 1792 O LEU A 120 -9.841 8.121 0.002 1.00 0.39 O ATOM 1793 CB LEU A 120 -8.158 6.004 2.040 1.00 0.36 C ATOM 1794 CG LEU A 120 -8.625 6.492 3.435 1.00 0.68 C ATOM 1795 CD1 LEU A 120 -9.211 7.914 3.333 1.00 1.69 C ATOM 1796 CD2 LEU A 120 -9.680 5.519 4.022 1.00 1.28 C ATOM 0 H LEU A 120 -8.737 3.966 0.711 1.00 0.36 H new ATOM 0 HA LEU A 120 -10.270 6.155 1.570 1.00 0.35 H new ATOM 0 HB2 LEU A 120 -7.739 5.001 2.123 1.00 0.36 H new ATOM 0 HB3 LEU A 120 -7.363 6.652 1.672 1.00 0.36 H new ATOM 0 HG LEU A 120 -7.763 6.514 4.102 1.00 0.68 H new ATOM 0 HD11 LEU A 120 -9.535 8.245 4.319 1.00 1.69 H new ATOM 0 HD12 LEU A 120 -8.449 8.595 2.954 1.00 1.69 H new ATOM 0 HD13 LEU A 120 -10.063 7.908 2.654 1.00 1.69 H new ATOM 0 HD21 LEU A 120 -9.998 5.875 5.002 1.00 1.28 H new ATOM 0 HD22 LEU A 120 -10.541 5.471 3.356 1.00 1.28 H new ATOM 0 HD23 LEU A 120 -9.243 4.525 4.122 1.00 1.28 H new ATOM 1808 N VAL A 121 -8.253 6.912 -0.930 1.00 0.33 N ATOM 1809 CA VAL A 121 -8.004 7.897 -2.027 1.00 0.39 C ATOM 1810 C VAL A 121 -9.196 7.921 -2.985 1.00 0.36 C ATOM 1811 O VAL A 121 -9.909 8.900 -3.072 1.00 0.39 O ATOM 1812 CB VAL A 121 -6.745 7.491 -2.794 1.00 0.54 C ATOM 1813 CG1 VAL A 121 -6.437 8.554 -3.853 1.00 0.95 C ATOM 1814 CG2 VAL A 121 -5.565 7.389 -1.823 1.00 1.18 C ATOM 0 H VAL A 121 -7.662 6.082 -0.969 1.00 0.33 H new ATOM 0 HA VAL A 121 -7.870 8.889 -1.596 1.00 0.39 H new ATOM 0 HB VAL A 121 -6.905 6.526 -3.274 1.00 0.54 H new ATOM 0 HG11 VAL A 121 -5.540 8.270 -4.403 1.00 0.95 H new ATOM 0 HG12 VAL A 121 -7.277 8.634 -4.544 1.00 0.95 H new ATOM 0 HG13 VAL A 121 -6.275 9.516 -3.367 1.00 0.95 H new ATOM 0 HG21 VAL A 121 -4.668 7.100 -2.370 1.00 1.18 H new ATOM 0 HG22 VAL A 121 -5.403 8.355 -1.345 1.00 1.18 H new ATOM 0 HG23 VAL A 121 -5.784 6.640 -1.062 1.00 1.18 H new ATOM 1824 N LEU A 122 -9.420 6.859 -3.713 1.00 0.37 N ATOM 1825 CA LEU A 122 -10.569 6.844 -4.667 1.00 0.39 C ATOM 1826 C LEU A 122 -11.829 7.349 -3.947 1.00 0.40 C ATOM 1827 O LEU A 122 -12.536 8.203 -4.445 1.00 0.40 O ATOM 1828 CB LEU A 122 -10.786 5.410 -5.198 1.00 0.42 C ATOM 1829 CG LEU A 122 -10.026 5.213 -6.518 1.00 0.72 C ATOM 1830 CD1 LEU A 122 -8.524 5.369 -6.275 1.00 1.15 C ATOM 1831 CD2 LEU A 122 -10.311 3.814 -7.066 1.00 1.24 C ATOM 0 H LEU A 122 -8.861 6.006 -3.689 1.00 0.37 H new ATOM 0 HA LEU A 122 -10.357 7.498 -5.513 1.00 0.39 H new ATOM 0 HB2 LEU A 122 -10.442 4.685 -4.460 1.00 0.42 H new ATOM 0 HB3 LEU A 122 -11.850 5.228 -5.352 1.00 0.42 H new ATOM 0 HG LEU A 122 -10.355 5.961 -7.239 1.00 0.72 H new ATOM 0 HD11 LEU A 122 -7.987 5.229 -7.213 1.00 1.15 H new ATOM 0 HD12 LEU A 122 -8.320 6.367 -5.886 1.00 1.15 H new ATOM 0 HD13 LEU A 122 -8.193 4.623 -5.552 1.00 1.15 H new ATOM 0 HD21 LEU A 122 -9.772 3.673 -8.003 1.00 1.24 H new ATOM 0 HD22 LEU A 122 -9.984 3.067 -6.343 1.00 1.24 H new ATOM 0 HD23 LEU A 122 -11.381 3.704 -7.243 1.00 1.24 H new ATOM 1843 N LYS A 123 -12.112 6.834 -2.784 1.00 0.51 N ATOM 1844 CA LYS A 123 -13.319 7.300 -2.044 1.00 0.55 C ATOM 1845 C LYS A 123 -13.266 8.826 -1.890 1.00 0.54 C ATOM 1846 O LYS A 123 -14.282 9.488 -1.901 1.00 0.55 O ATOM 1847 CB LYS A 123 -13.370 6.642 -0.658 1.00 0.59 C ATOM 1848 CG LYS A 123 -14.789 6.765 -0.063 1.00 0.97 C ATOM 1849 CD LYS A 123 -15.648 5.572 -0.502 1.00 1.37 C ATOM 1850 CE LYS A 123 -17.081 5.761 -0.002 1.00 1.74 C ATOM 1851 NZ LYS A 123 -17.065 6.041 1.462 1.00 2.32 N ATOM 0 H LYS A 123 -11.563 6.114 -2.315 1.00 0.51 H new ATOM 0 HA LYS A 123 -14.213 7.021 -2.602 1.00 0.55 H new ATOM 0 HB2 LYS A 123 -13.090 5.591 -0.735 1.00 0.59 H new ATOM 0 HB3 LYS A 123 -12.647 7.117 0.005 1.00 0.59 H new ATOM 0 HG2 LYS A 123 -14.734 6.803 1.025 1.00 0.97 H new ATOM 0 HG3 LYS A 123 -15.250 7.696 -0.392 1.00 0.97 H new ATOM 0 HD2 LYS A 123 -15.640 5.485 -1.588 1.00 1.37 H new ATOM 0 HD3 LYS A 123 -15.233 4.646 -0.105 1.00 1.37 H new ATOM 0 HE2 LYS A 123 -17.558 6.584 -0.535 1.00 1.74 H new ATOM 0 HE3 LYS A 123 -17.669 4.866 -0.205 1.00 1.74 H new ATOM 0 HZ1 LYS A 123 -18.002 5.837 1.865 1.00 2.32 H new ATOM 0 HZ2 LYS A 123 -16.352 5.440 1.923 1.00 2.32 H new ATOM 0 HZ3 LYS A 123 -16.830 7.041 1.622 1.00 2.32 H new ATOM 1865 N ALA A 124 -12.096 9.392 -1.739 1.00 0.52 N ATOM 1866 CA ALA A 124 -12.007 10.874 -1.575 1.00 0.52 C ATOM 1867 C ALA A 124 -12.212 11.562 -2.924 1.00 0.51 C ATOM 1868 O ALA A 124 -12.698 12.672 -3.006 1.00 0.54 O ATOM 1869 CB ALA A 124 -10.642 11.253 -1.010 1.00 0.51 C ATOM 0 H ALA A 124 -11.205 8.896 -1.722 1.00 0.52 H new ATOM 0 HA ALA A 124 -12.785 11.200 -0.885 1.00 0.52 H new ATOM 0 HB1 ALA A 124 -10.584 12.335 -0.893 1.00 0.51 H new ATOM 0 HB2 ALA A 124 -10.504 10.775 -0.040 1.00 0.51 H new ATOM 0 HB3 ALA A 124 -9.860 10.920 -1.693 1.00 0.51 H new ATOM 1875 N LEU A 125 -11.857 10.893 -3.987 1.00 0.47 N ATOM 1876 CA LEU A 125 -12.035 11.466 -5.337 1.00 0.47 C ATOM 1877 C LEU A 125 -13.530 11.667 -5.594 1.00 0.48 C ATOM 1878 O LEU A 125 -13.953 12.689 -6.097 1.00 0.48 O ATOM 1879 CB LEU A 125 -11.477 10.468 -6.365 1.00 0.51 C ATOM 1880 CG LEU A 125 -11.522 11.087 -7.789 1.00 0.49 C ATOM 1881 CD1 LEU A 125 -10.126 11.559 -8.216 1.00 1.10 C ATOM 1882 CD2 LEU A 125 -12.024 10.049 -8.804 1.00 1.21 C ATOM 0 H LEU A 125 -11.446 9.960 -3.969 1.00 0.47 H new ATOM 0 HA LEU A 125 -11.515 12.420 -5.418 1.00 0.47 H new ATOM 0 HB2 LEU A 125 -10.451 10.204 -6.107 1.00 0.51 H new ATOM 0 HB3 LEU A 125 -12.059 9.547 -6.342 1.00 0.51 H new ATOM 0 HG LEU A 125 -12.202 11.939 -7.764 1.00 0.49 H new ATOM 0 HD11 LEU A 125 -10.178 11.990 -9.216 1.00 1.10 H new ATOM 0 HD12 LEU A 125 -9.766 12.312 -7.515 1.00 1.10 H new ATOM 0 HD13 LEU A 125 -9.441 10.711 -8.221 1.00 1.10 H new ATOM 0 HD21 LEU A 125 -12.051 10.496 -9.798 1.00 1.21 H new ATOM 0 HD22 LEU A 125 -11.352 9.191 -8.810 1.00 1.21 H new ATOM 0 HD23 LEU A 125 -13.026 9.723 -8.526 1.00 1.21 H new ATOM 1894 N CYS A 126 -14.327 10.681 -5.288 1.00 0.52 N ATOM 1895 CA CYS A 126 -15.793 10.790 -5.546 1.00 0.57 C ATOM 1896 C CYS A 126 -16.441 11.805 -4.603 1.00 0.57 C ATOM 1897 O CYS A 126 -17.583 12.184 -4.775 1.00 0.68 O ATOM 1898 CB CYS A 126 -16.444 9.426 -5.310 1.00 0.66 C ATOM 1899 SG CYS A 126 -15.691 8.198 -6.406 1.00 1.67 S ATOM 0 H CYS A 126 -14.026 9.801 -4.869 1.00 0.52 H new ATOM 0 HA CYS A 126 -15.938 11.118 -6.575 1.00 0.57 H new ATOM 0 HB2 CYS A 126 -16.318 9.126 -4.270 1.00 0.66 H new ATOM 0 HB3 CYS A 126 -17.516 9.486 -5.496 1.00 0.66 H new ATOM 0 HG CYS A 126 -16.243 7.039 -6.203 1.00 1.67 H new ATOM 1905 N THR A 127 -15.722 12.248 -3.603 1.00 0.57 N ATOM 1906 CA THR A 127 -16.304 13.231 -2.639 1.00 0.60 C ATOM 1907 C THR A 127 -15.983 14.641 -3.105 1.00 0.62 C ATOM 1908 O THR A 127 -16.425 15.612 -2.527 1.00 0.70 O ATOM 1909 CB THR A 127 -15.753 12.932 -1.228 1.00 0.60 C ATOM 1910 OG1 THR A 127 -14.331 12.937 -1.249 1.00 1.14 O ATOM 1911 CG2 THR A 127 -16.285 11.539 -0.867 1.00 1.19 C ATOM 0 H THR A 127 -14.759 11.972 -3.412 1.00 0.57 H new ATOM 0 HA THR A 127 -17.390 13.144 -2.596 1.00 0.60 H new ATOM 0 HB THR A 127 -16.065 13.680 -0.499 1.00 0.60 H new ATOM 0 HG1 THR A 127 -14.018 13.194 -2.141 1.00 1.14 H new ATOM 0 HG21 THR A 127 -15.932 11.261 0.126 1.00 1.19 H new ATOM 0 HG22 THR A 127 -17.375 11.553 -0.874 1.00 1.19 H new ATOM 0 HG23 THR A 127 -15.927 10.812 -1.596 1.00 1.19 H new ATOM 1919 N LYS A 128 -15.197 14.740 -4.157 1.00 0.60 N ATOM 1920 CA LYS A 128 -14.828 16.076 -4.707 1.00 0.70 C ATOM 1921 C LYS A 128 -14.018 16.854 -3.689 1.00 0.61 C ATOM 1922 O LYS A 128 -14.325 17.995 -3.398 1.00 0.60 O ATOM 1923 CB LYS A 128 -16.081 16.881 -5.101 1.00 0.87 C ATOM 1924 CG LYS A 128 -16.731 16.286 -6.356 1.00 1.12 C ATOM 1925 CD LYS A 128 -17.326 14.904 -6.044 1.00 1.43 C ATOM 1926 CE LYS A 128 -18.360 14.538 -7.112 1.00 1.83 C ATOM 1927 NZ LYS A 128 -17.747 14.682 -8.462 1.00 2.47 N ATOM 0 H LYS A 128 -14.797 13.945 -4.656 1.00 0.60 H new ATOM 0 HA LYS A 128 -14.227 15.916 -5.602 1.00 0.70 H new ATOM 0 HB2 LYS A 128 -16.796 16.878 -4.278 1.00 0.87 H new ATOM 0 HB3 LYS A 128 -15.810 17.921 -5.283 1.00 0.87 H new ATOM 0 HG2 LYS A 128 -17.513 16.953 -6.720 1.00 1.12 H new ATOM 0 HG3 LYS A 128 -15.991 16.200 -7.151 1.00 1.12 H new ATOM 0 HD2 LYS A 128 -16.535 14.154 -6.017 1.00 1.43 H new ATOM 0 HD3 LYS A 128 -17.793 14.912 -5.059 1.00 1.43 H new ATOM 0 HE2 LYS A 128 -18.705 13.515 -6.964 1.00 1.83 H new ATOM 0 HE3 LYS A 128 -19.233 15.185 -7.026 1.00 1.83 H new ATOM 0 HZ1 LYS A 128 -18.296 14.131 -9.153 1.00 2.47 H new ATOM 0 HZ2 LYS A 128 -17.748 15.685 -8.739 1.00 2.47 H new ATOM 0 HZ3 LYS A 128 -16.768 14.331 -8.438 1.00 2.47 H new ATOM 1941 N VAL A 129 -12.958 16.281 -3.154 1.00 0.60 N ATOM 1942 CA VAL A 129 -12.105 17.030 -2.181 1.00 0.53 C ATOM 1943 C VAL A 129 -10.640 16.730 -2.536 1.00 0.53 C ATOM 1944 O VAL A 129 -9.989 15.976 -1.841 1.00 0.56 O ATOM 1945 CB VAL A 129 -12.403 16.536 -0.768 1.00 0.57 C ATOM 1946 CG1 VAL A 129 -11.789 17.489 0.254 1.00 1.40 C ATOM 1947 CG2 VAL A 129 -13.916 16.458 -0.570 1.00 1.22 C ATOM 0 H VAL A 129 -12.652 15.328 -3.352 1.00 0.60 H new ATOM 0 HA VAL A 129 -12.302 18.101 -2.227 1.00 0.53 H new ATOM 0 HB VAL A 129 -11.969 15.546 -0.628 1.00 0.57 H new ATOM 0 HG11 VAL A 129 -12.005 17.131 1.261 1.00 1.40 H new ATOM 0 HG12 VAL A 129 -10.710 17.533 0.108 1.00 1.40 H new ATOM 0 HG13 VAL A 129 -12.213 18.485 0.124 1.00 1.40 H new ATOM 0 HG21 VAL A 129 -14.133 16.105 0.438 1.00 1.22 H new ATOM 0 HG22 VAL A 129 -14.353 17.447 -0.711 1.00 1.22 H new ATOM 0 HG23 VAL A 129 -14.343 15.766 -1.296 1.00 1.22 H new ATOM 1957 N PRO A 130 -10.165 17.288 -3.632 1.00 0.62 N ATOM 1958 CA PRO A 130 -8.794 17.024 -4.087 1.00 0.73 C ATOM 1959 C PRO A 130 -7.769 17.417 -3.016 1.00 0.65 C ATOM 1960 O PRO A 130 -6.657 16.910 -3.009 1.00 0.64 O ATOM 1961 CB PRO A 130 -8.617 17.863 -5.374 1.00 1.00 C ATOM 1962 CG PRO A 130 -9.966 18.590 -5.641 1.00 1.00 C ATOM 1963 CD PRO A 130 -10.933 18.219 -4.491 1.00 0.75 C ATOM 0 HA PRO A 130 -8.630 15.963 -4.278 1.00 0.73 H new ATOM 0 HB2 PRO A 130 -7.809 18.584 -5.254 1.00 1.00 H new ATOM 0 HB3 PRO A 130 -8.352 17.224 -6.216 1.00 1.00 H new ATOM 0 HG2 PRO A 130 -9.818 19.669 -5.683 1.00 1.00 H new ATOM 0 HG3 PRO A 130 -10.380 18.287 -6.603 1.00 1.00 H new ATOM 0 HD2 PRO A 130 -11.244 19.104 -3.935 1.00 0.75 H new ATOM 0 HD3 PRO A 130 -11.839 17.748 -4.873 1.00 0.75 H new ATOM 1971 N GLU A 131 -8.084 18.338 -2.126 1.00 0.73 N ATOM 1972 CA GLU A 131 -7.032 18.734 -1.136 1.00 0.82 C ATOM 1973 C GLU A 131 -6.799 17.536 -0.211 1.00 0.72 C ATOM 1974 O GLU A 131 -5.770 17.396 0.417 1.00 0.73 O ATOM 1975 CB GLU A 131 -7.491 19.972 -0.363 1.00 1.09 C ATOM 1976 CG GLU A 131 -6.425 20.420 0.628 1.00 1.55 C ATOM 1977 CD GLU A 131 -6.934 21.655 1.374 1.00 2.17 C ATOM 1978 OE1 GLU A 131 -8.136 21.753 1.566 1.00 2.52 O ATOM 1979 OE2 GLU A 131 -6.117 22.483 1.738 1.00 2.86 O ATOM 0 H GLU A 131 -8.984 18.812 -2.045 1.00 0.73 H new ATOM 0 HA GLU A 131 -6.096 18.995 -1.630 1.00 0.82 H new ATOM 0 HB2 GLU A 131 -7.708 20.781 -1.060 1.00 1.09 H new ATOM 0 HB3 GLU A 131 -8.417 19.752 0.168 1.00 1.09 H new ATOM 0 HG2 GLU A 131 -6.204 19.618 1.332 1.00 1.55 H new ATOM 0 HG3 GLU A 131 -5.497 20.651 0.105 1.00 1.55 H new ATOM 1986 N LEU A 132 -7.762 16.654 -0.165 1.00 0.71 N ATOM 1987 CA LEU A 132 -7.655 15.432 0.669 1.00 0.69 C ATOM 1988 C LEU A 132 -6.918 14.339 -0.117 1.00 0.58 C ATOM 1989 O LEU A 132 -6.285 13.480 0.464 1.00 0.59 O ATOM 1990 CB LEU A 132 -9.062 14.971 1.068 1.00 0.80 C ATOM 1991 CG LEU A 132 -8.993 13.971 2.231 1.00 0.60 C ATOM 1992 CD1 LEU A 132 -8.666 14.688 3.554 1.00 1.11 C ATOM 1993 CD2 LEU A 132 -10.347 13.262 2.362 1.00 0.77 C ATOM 0 H LEU A 132 -8.636 16.736 -0.684 1.00 0.71 H new ATOM 0 HA LEU A 132 -7.088 15.642 1.576 1.00 0.69 H new ATOM 0 HB2 LEU A 132 -9.665 15.832 1.357 1.00 0.80 H new ATOM 0 HB3 LEU A 132 -9.555 14.509 0.213 1.00 0.80 H new ATOM 0 HG LEU A 132 -8.204 13.248 2.025 1.00 0.60 H new ATOM 0 HD11 LEU A 132 -8.623 13.958 4.362 1.00 1.11 H new ATOM 0 HD12 LEU A 132 -7.703 15.191 3.467 1.00 1.11 H new ATOM 0 HD13 LEU A 132 -9.441 15.424 3.770 1.00 1.11 H new ATOM 0 HD21 LEU A 132 -10.307 12.550 3.186 1.00 0.77 H new ATOM 0 HD22 LEU A 132 -11.126 13.999 2.557 1.00 0.77 H new ATOM 0 HD23 LEU A 132 -10.572 12.733 1.436 1.00 0.77 H new ATOM 2005 N ILE A 133 -6.969 14.352 -1.418 1.00 0.52 N ATOM 2006 CA ILE A 133 -6.233 13.307 -2.191 1.00 0.46 C ATOM 2007 C ILE A 133 -4.749 13.387 -1.816 1.00 0.43 C ATOM 2008 O ILE A 133 -4.114 12.392 -1.526 1.00 0.46 O ATOM 2009 CB ILE A 133 -6.414 13.562 -3.697 1.00 0.45 C ATOM 2010 CG1 ILE A 133 -7.867 13.248 -4.077 1.00 0.42 C ATOM 2011 CG2 ILE A 133 -5.467 12.662 -4.507 1.00 0.49 C ATOM 2012 CD1 ILE A 133 -8.127 13.609 -5.545 1.00 1.19 C ATOM 0 H ILE A 133 -7.482 15.032 -1.978 1.00 0.52 H new ATOM 0 HA ILE A 133 -6.620 12.315 -1.957 1.00 0.46 H new ATOM 0 HB ILE A 133 -6.182 14.603 -3.920 1.00 0.45 H new ATOM 0 HG12 ILE A 133 -8.071 12.190 -3.915 1.00 0.42 H new ATOM 0 HG13 ILE A 133 -8.547 13.806 -3.433 1.00 0.42 H new ATOM 0 HG21 ILE A 133 -5.605 12.853 -5.571 1.00 0.49 H new ATOM 0 HG22 ILE A 133 -4.435 12.878 -4.231 1.00 0.49 H new ATOM 0 HG23 ILE A 133 -5.688 11.616 -4.294 1.00 0.49 H new ATOM 0 HD11 ILE A 133 -9.162 13.380 -5.798 1.00 1.19 H new ATOM 0 HD12 ILE A 133 -7.943 14.673 -5.696 1.00 1.19 H new ATOM 0 HD13 ILE A 133 -7.461 13.031 -6.185 1.00 1.19 H new ATOM 2024 N ARG A 134 -4.200 14.571 -1.813 1.00 0.42 N ATOM 2025 CA ARG A 134 -2.758 14.741 -1.449 1.00 0.43 C ATOM 2026 C ARG A 134 -2.534 14.418 0.036 1.00 0.40 C ATOM 2027 O ARG A 134 -1.592 13.739 0.393 1.00 0.39 O ATOM 2028 CB ARG A 134 -2.337 16.190 -1.713 1.00 0.51 C ATOM 2029 CG ARG A 134 -0.842 16.350 -1.421 1.00 1.26 C ATOM 2030 CD ARG A 134 -0.377 17.739 -1.869 1.00 1.57 C ATOM 2031 NE ARG A 134 0.997 17.993 -1.349 1.00 2.30 N ATOM 2032 CZ ARG A 134 1.710 18.973 -1.835 1.00 2.86 C ATOM 2033 NH1 ARG A 134 1.223 19.731 -2.779 1.00 2.98 N ATOM 2034 NH2 ARG A 134 2.912 19.196 -1.376 1.00 3.71 N ATOM 0 H ARG A 134 -4.689 15.435 -2.048 1.00 0.42 H new ATOM 0 HA ARG A 134 -2.162 14.058 -2.054 1.00 0.43 H new ATOM 0 HB2 ARG A 134 -2.547 16.458 -2.749 1.00 0.51 H new ATOM 0 HB3 ARG A 134 -2.915 16.868 -1.085 1.00 0.51 H new ATOM 0 HG2 ARG A 134 -0.653 16.218 -0.356 1.00 1.26 H new ATOM 0 HG3 ARG A 134 -0.275 15.579 -1.943 1.00 1.26 H new ATOM 0 HD2 ARG A 134 -0.384 17.803 -2.957 1.00 1.57 H new ATOM 0 HD3 ARG A 134 -1.064 18.501 -1.500 1.00 1.57 H new ATOM 0 HE ARG A 134 1.381 17.400 -0.613 1.00 2.30 H new ATOM 0 HH11 ARG A 134 0.284 19.558 -3.138 1.00 2.98 H new ATOM 0 HH12 ARG A 134 1.781 20.496 -3.158 1.00 2.98 H new ATOM 0 HH21 ARG A 134 3.294 18.605 -0.638 1.00 3.71 H new ATOM 0 HH22 ARG A 134 3.469 19.962 -1.756 1.00 3.71 H new ATOM 2048 N THR A 135 -3.376 14.910 0.904 1.00 0.41 N ATOM 2049 CA THR A 135 -3.179 14.639 2.361 1.00 0.41 C ATOM 2050 C THR A 135 -3.151 13.131 2.640 1.00 0.39 C ATOM 2051 O THR A 135 -2.440 12.658 3.504 1.00 0.52 O ATOM 2052 CB THR A 135 -4.305 15.287 3.171 1.00 0.42 C ATOM 2053 OG1 THR A 135 -4.229 16.698 3.029 1.00 0.89 O ATOM 2054 CG2 THR A 135 -4.159 14.916 4.650 1.00 0.88 C ATOM 0 H THR A 135 -4.187 15.484 0.672 1.00 0.41 H new ATOM 0 HA THR A 135 -2.221 15.066 2.658 1.00 0.41 H new ATOM 0 HB THR A 135 -5.268 14.930 2.805 1.00 0.42 H new ATOM 0 HG1 THR A 135 -4.715 16.972 2.223 1.00 0.89 H new ATOM 0 HG21 THR A 135 -4.963 15.379 5.222 1.00 0.88 H new ATOM 0 HG22 THR A 135 -4.213 13.833 4.760 1.00 0.88 H new ATOM 0 HG23 THR A 135 -3.198 15.271 5.021 1.00 0.88 H new ATOM 2062 N ILE A 136 -3.902 12.370 1.886 1.00 0.35 N ATOM 2063 CA ILE A 136 -3.920 10.886 2.065 1.00 0.36 C ATOM 2064 C ILE A 136 -2.626 10.285 1.516 1.00 0.35 C ATOM 2065 O ILE A 136 -2.100 9.336 2.065 1.00 0.51 O ATOM 2066 CB ILE A 136 -5.116 10.305 1.295 1.00 0.46 C ATOM 2067 CG1 ILE A 136 -6.422 10.753 1.965 1.00 0.60 C ATOM 2068 CG2 ILE A 136 -5.045 8.772 1.297 1.00 0.94 C ATOM 2069 CD1 ILE A 136 -7.593 10.587 0.992 1.00 0.64 C ATOM 0 H ILE A 136 -4.511 12.717 1.145 1.00 0.35 H new ATOM 0 HA ILE A 136 -4.007 10.646 3.125 1.00 0.36 H new ATOM 0 HB ILE A 136 -5.087 10.665 0.267 1.00 0.46 H new ATOM 0 HG12 ILE A 136 -6.600 10.164 2.865 1.00 0.60 H new ATOM 0 HG13 ILE A 136 -6.342 11.794 2.277 1.00 0.60 H new ATOM 0 HG21 ILE A 136 -5.896 8.368 0.749 1.00 0.94 H new ATOM 0 HG22 ILE A 136 -4.120 8.450 0.819 1.00 0.94 H new ATOM 0 HG23 ILE A 136 -5.068 8.408 2.324 1.00 0.94 H new ATOM 0 HD11 ILE A 136 -8.516 10.907 1.475 1.00 0.64 H new ATOM 0 HD12 ILE A 136 -7.418 11.196 0.105 1.00 0.64 H new ATOM 0 HD13 ILE A 136 -7.680 9.540 0.702 1.00 0.64 H new ATOM 2081 N MET A 137 -2.086 10.830 0.465 1.00 0.35 N ATOM 2082 CA MET A 137 -0.814 10.269 -0.064 1.00 0.33 C ATOM 2083 C MET A 137 0.300 10.611 0.933 1.00 0.31 C ATOM 2084 O MET A 137 1.356 10.014 0.961 1.00 0.34 O ATOM 2085 CB MET A 137 -0.515 10.868 -1.453 1.00 0.36 C ATOM 2086 CG MET A 137 0.265 9.861 -2.319 1.00 0.67 C ATOM 2087 SD MET A 137 1.332 10.756 -3.480 1.00 1.13 S ATOM 2088 CE MET A 137 0.286 10.599 -4.948 1.00 0.67 C ATOM 0 H MET A 137 -2.463 11.629 -0.045 1.00 0.35 H new ATOM 0 HA MET A 137 -0.885 9.187 -0.179 1.00 0.33 H new ATOM 0 HB2 MET A 137 -1.448 11.136 -1.948 1.00 0.36 H new ATOM 0 HB3 MET A 137 0.063 11.786 -1.343 1.00 0.36 H new ATOM 0 HG2 MET A 137 0.866 9.210 -1.685 1.00 0.67 H new ATOM 0 HG3 MET A 137 -0.429 9.222 -2.865 1.00 0.67 H new ATOM 0 HE1 MET A 137 0.768 11.092 -5.792 1.00 0.67 H new ATOM 0 HE2 MET A 137 0.139 9.544 -5.179 1.00 0.67 H new ATOM 0 HE3 MET A 137 -0.680 11.067 -4.758 1.00 0.67 H new ATOM 2098 N GLY A 138 0.029 11.593 1.747 1.00 0.31 N ATOM 2099 CA GLY A 138 0.999 12.056 2.779 1.00 0.33 C ATOM 2100 C GLY A 138 1.123 11.010 3.893 1.00 0.33 C ATOM 2101 O GLY A 138 2.209 10.642 4.292 1.00 0.34 O ATOM 0 H GLY A 138 -0.851 12.109 1.739 1.00 0.31 H new ATOM 0 HA2 GLY A 138 1.973 12.229 2.322 1.00 0.33 H new ATOM 0 HA3 GLY A 138 0.670 13.007 3.198 1.00 0.33 H new ATOM 2105 N TRP A 139 0.019 10.534 4.399 1.00 0.34 N ATOM 2106 CA TRP A 139 0.080 9.517 5.489 1.00 0.37 C ATOM 2107 C TRP A 139 0.584 8.182 4.937 1.00 0.35 C ATOM 2108 O TRP A 139 1.107 7.357 5.659 1.00 0.39 O ATOM 2109 CB TRP A 139 -1.302 9.328 6.117 1.00 0.43 C ATOM 2110 CG TRP A 139 -1.871 10.650 6.540 1.00 0.46 C ATOM 2111 CD1 TRP A 139 -1.153 11.744 6.906 1.00 0.54 C ATOM 2112 CD2 TRP A 139 -3.272 11.030 6.655 1.00 0.53 C ATOM 2113 NE1 TRP A 139 -2.028 12.763 7.232 1.00 0.57 N ATOM 2114 CE2 TRP A 139 -3.344 12.373 7.093 1.00 0.56 C ATOM 2115 CE3 TRP A 139 -4.478 10.344 6.421 1.00 0.67 C ATOM 2116 CZ2 TRP A 139 -4.567 13.013 7.293 1.00 0.66 C ATOM 2117 CZ3 TRP A 139 -5.711 10.986 6.621 1.00 0.81 C ATOM 2118 CH2 TRP A 139 -5.755 12.318 7.056 1.00 0.78 C ATOM 0 H TRP A 139 -0.920 10.803 4.107 1.00 0.34 H new ATOM 0 HA TRP A 139 0.771 9.870 6.254 1.00 0.37 H new ATOM 0 HB2 TRP A 139 -1.971 8.849 5.402 1.00 0.43 H new ATOM 0 HB3 TRP A 139 -1.229 8.664 6.978 1.00 0.43 H new ATOM 0 HD1 TRP A 139 -0.075 11.807 6.937 1.00 0.54 H new ATOM 0 HE1 TRP A 139 -1.736 13.691 7.538 1.00 0.57 H new ATOM 0 HE3 TRP A 139 -4.455 9.318 6.086 1.00 0.67 H new ATOM 0 HZ2 TRP A 139 -4.595 14.039 7.629 1.00 0.66 H new ATOM 0 HZ3 TRP A 139 -6.631 10.450 6.439 1.00 0.81 H new ATOM 0 HH2 TRP A 139 -6.706 12.806 7.208 1.00 0.78 H new ATOM 2129 N THR A 140 0.431 7.961 3.658 1.00 0.34 N ATOM 2130 CA THR A 140 0.903 6.679 3.062 1.00 0.36 C ATOM 2131 C THR A 140 2.433 6.682 3.004 1.00 0.34 C ATOM 2132 O THR A 140 3.086 5.827 3.567 1.00 0.39 O ATOM 2133 CB THR A 140 0.335 6.534 1.647 1.00 0.38 C ATOM 2134 OG1 THR A 140 -1.065 6.774 1.675 1.00 1.20 O ATOM 2135 CG2 THR A 140 0.602 5.120 1.129 1.00 1.17 C ATOM 0 H THR A 140 0.000 8.612 3.002 1.00 0.34 H new ATOM 0 HA THR A 140 0.563 5.843 3.674 1.00 0.36 H new ATOM 0 HB THR A 140 0.815 7.256 0.986 1.00 0.38 H new ATOM 0 HG1 THR A 140 -1.231 7.738 1.727 1.00 1.20 H new ATOM 0 HG21 THR A 140 0.197 5.019 0.122 1.00 1.17 H new ATOM 0 HG22 THR A 140 1.676 4.937 1.108 1.00 1.17 H new ATOM 0 HG23 THR A 140 0.123 4.395 1.787 1.00 1.17 H new ATOM 2143 N LEU A 141 3.008 7.643 2.332 1.00 0.33 N ATOM 2144 CA LEU A 141 4.495 7.706 2.244 1.00 0.34 C ATOM 2145 C LEU A 141 5.090 7.921 3.637 1.00 0.33 C ATOM 2146 O LEU A 141 6.228 7.582 3.893 1.00 0.33 O ATOM 2147 CB LEU A 141 4.919 8.833 1.298 1.00 0.35 C ATOM 2148 CG LEU A 141 4.433 8.526 -0.132 1.00 0.41 C ATOM 2149 CD1 LEU A 141 4.329 9.825 -0.937 1.00 0.99 C ATOM 2150 CD2 LEU A 141 5.424 7.588 -0.830 1.00 0.80 C ATOM 0 H LEU A 141 2.512 8.387 1.840 1.00 0.33 H new ATOM 0 HA LEU A 141 4.870 6.763 1.846 1.00 0.34 H new ATOM 0 HB2 LEU A 141 4.502 9.781 1.638 1.00 0.35 H new ATOM 0 HB3 LEU A 141 6.004 8.940 1.308 1.00 0.35 H new ATOM 0 HG LEU A 141 3.454 8.050 -0.074 1.00 0.41 H new ATOM 0 HD11 LEU A 141 3.985 9.601 -1.947 1.00 0.99 H new ATOM 0 HD12 LEU A 141 3.620 10.497 -0.453 1.00 0.99 H new ATOM 0 HD13 LEU A 141 5.308 10.303 -0.985 1.00 0.99 H new ATOM 0 HD21 LEU A 141 5.074 7.375 -1.840 1.00 0.80 H new ATOM 0 HD22 LEU A 141 6.403 8.064 -0.878 1.00 0.80 H new ATOM 0 HD23 LEU A 141 5.500 6.657 -0.269 1.00 0.80 H new ATOM 2162 N ASP A 142 4.333 8.468 4.543 1.00 0.36 N ATOM 2163 CA ASP A 142 4.863 8.681 5.919 1.00 0.37 C ATOM 2164 C ASP A 142 5.081 7.316 6.582 1.00 0.37 C ATOM 2165 O ASP A 142 6.154 7.005 7.059 1.00 0.42 O ATOM 2166 CB ASP A 142 3.848 9.485 6.732 1.00 0.37 C ATOM 2167 CG ASP A 142 4.428 9.782 8.115 1.00 0.78 C ATOM 2168 OD1 ASP A 142 4.343 8.916 8.969 1.00 1.32 O ATOM 2169 OD2 ASP A 142 4.951 10.870 8.295 1.00 1.59 O ATOM 0 H ASP A 142 3.373 8.777 4.393 1.00 0.36 H new ATOM 0 HA ASP A 142 5.806 9.226 5.875 1.00 0.37 H new ATOM 0 HB2 ASP A 142 3.609 10.416 6.218 1.00 0.37 H new ATOM 0 HB3 ASP A 142 2.917 8.926 6.828 1.00 0.37 H new ATOM 2174 N PHE A 143 4.062 6.501 6.603 1.00 0.41 N ATOM 2175 CA PHE A 143 4.176 5.145 7.217 1.00 0.43 C ATOM 2176 C PHE A 143 5.170 4.287 6.427 1.00 0.43 C ATOM 2177 O PHE A 143 5.908 3.511 7.001 1.00 0.45 O ATOM 2178 CB PHE A 143 2.800 4.474 7.206 1.00 0.44 C ATOM 2179 CG PHE A 143 2.848 3.193 8.005 1.00 0.47 C ATOM 2180 CD1 PHE A 143 2.580 3.214 9.380 1.00 1.29 C ATOM 2181 CD2 PHE A 143 3.156 1.984 7.371 1.00 1.16 C ATOM 2182 CE1 PHE A 143 2.622 2.026 10.119 1.00 1.35 C ATOM 2183 CE2 PHE A 143 3.197 0.796 8.110 1.00 1.22 C ATOM 2184 CZ PHE A 143 2.930 0.817 9.484 1.00 0.72 C ATOM 0 H PHE A 143 3.144 6.719 6.216 1.00 0.41 H new ATOM 0 HA PHE A 143 4.534 5.244 8.242 1.00 0.43 H new ATOM 0 HB2 PHE A 143 2.054 5.148 7.627 1.00 0.44 H new ATOM 0 HB3 PHE A 143 2.497 4.262 6.181 1.00 0.44 H new ATOM 0 HD1 PHE A 143 2.341 4.147 9.870 1.00 1.29 H new ATOM 0 HD2 PHE A 143 3.362 1.968 6.311 1.00 1.16 H new ATOM 0 HE1 PHE A 143 2.417 2.042 11.179 1.00 1.35 H new ATOM 0 HE2 PHE A 143 3.435 -0.137 7.620 1.00 1.22 H new ATOM 0 HZ PHE A 143 2.962 -0.100 10.054 1.00 0.72 H new ATOM 2194 N LEU A 144 5.216 4.406 5.129 1.00 0.45 N ATOM 2195 CA LEU A 144 6.189 3.574 4.360 1.00 0.47 C ATOM 2196 C LEU A 144 7.603 4.050 4.711 1.00 0.47 C ATOM 2197 O LEU A 144 8.471 3.257 5.020 1.00 0.49 O ATOM 2198 CB LEU A 144 5.884 3.697 2.849 1.00 0.49 C ATOM 2199 CG LEU A 144 7.109 3.373 1.966 1.00 0.64 C ATOM 2200 CD1 LEU A 144 7.376 1.871 1.979 1.00 1.31 C ATOM 2201 CD2 LEU A 144 6.825 3.821 0.530 1.00 1.01 C ATOM 0 H LEU A 144 4.633 5.032 4.573 1.00 0.45 H new ATOM 0 HA LEU A 144 6.107 2.519 4.620 1.00 0.47 H new ATOM 0 HB2 LEU A 144 5.067 3.023 2.591 1.00 0.49 H new ATOM 0 HB3 LEU A 144 5.543 4.709 2.633 1.00 0.49 H new ATOM 0 HG LEU A 144 7.982 3.897 2.355 1.00 0.64 H new ATOM 0 HD11 LEU A 144 8.241 1.650 1.354 1.00 1.31 H new ATOM 0 HD12 LEU A 144 7.573 1.545 3.000 1.00 1.31 H new ATOM 0 HD13 LEU A 144 6.504 1.343 1.592 1.00 1.31 H new ATOM 0 HD21 LEU A 144 7.686 3.595 -0.099 1.00 1.01 H new ATOM 0 HD22 LEU A 144 5.950 3.293 0.150 1.00 1.01 H new ATOM 0 HD23 LEU A 144 6.636 4.894 0.514 1.00 1.01 H new ATOM 2213 N ARG A 145 7.846 5.319 4.663 1.00 0.47 N ATOM 2214 CA ARG A 145 9.206 5.828 4.995 1.00 0.48 C ATOM 2215 C ARG A 145 9.569 5.526 6.459 1.00 0.49 C ATOM 2216 O ARG A 145 10.727 5.344 6.780 1.00 0.50 O ATOM 2217 CB ARG A 145 9.250 7.338 4.753 1.00 0.49 C ATOM 2218 CG ARG A 145 10.710 7.808 4.756 1.00 0.69 C ATOM 2219 CD ARG A 145 10.779 9.345 4.690 1.00 0.68 C ATOM 2220 NE ARG A 145 11.953 9.765 3.859 1.00 1.56 N ATOM 2221 CZ ARG A 145 13.135 9.229 4.030 1.00 2.10 C ATOM 2222 NH1 ARG A 145 13.357 8.407 5.017 1.00 2.12 N ATOM 2223 NH2 ARG A 145 14.115 9.558 3.232 1.00 3.16 N ATOM 0 H ARG A 145 7.164 6.034 4.408 1.00 0.47 H new ATOM 0 HA ARG A 145 9.932 5.325 4.356 1.00 0.48 H new ATOM 0 HB2 ARG A 145 8.780 7.579 3.800 1.00 0.49 H new ATOM 0 HB3 ARG A 145 8.686 7.859 5.527 1.00 0.49 H new ATOM 0 HG2 ARG A 145 11.211 7.453 5.657 1.00 0.69 H new ATOM 0 HG3 ARG A 145 11.239 7.377 3.906 1.00 0.69 H new ATOM 0 HD2 ARG A 145 9.858 9.741 4.262 1.00 0.68 H new ATOM 0 HD3 ARG A 145 10.867 9.758 5.695 1.00 0.68 H new ATOM 0 HE ARG A 145 11.829 10.483 3.145 1.00 1.56 H new ATOM 0 HH11 ARG A 145 12.605 8.175 5.666 1.00 2.12 H new ATOM 0 HH12 ARG A 145 14.282 7.996 5.140 1.00 2.12 H new ATOM 0 HH21 ARG A 145 13.957 10.229 2.480 1.00 3.16 H new ATOM 0 HH22 ARG A 145 15.038 9.144 3.360 1.00 3.16 H new ATOM 2237 N GLU A 146 8.624 5.532 7.365 1.00 0.49 N ATOM 2238 CA GLU A 146 8.987 5.304 8.807 1.00 0.51 C ATOM 2239 C GLU A 146 9.126 3.814 9.169 1.00 0.53 C ATOM 2240 O GLU A 146 10.171 3.426 9.654 1.00 0.55 O ATOM 2241 CB GLU A 146 7.951 5.958 9.727 1.00 0.52 C ATOM 2242 CG GLU A 146 8.000 7.478 9.588 1.00 0.96 C ATOM 2243 CD GLU A 146 6.830 8.092 10.360 1.00 1.48 C ATOM 2244 OE1 GLU A 146 6.048 7.335 10.912 1.00 2.03 O ATOM 2245 OE2 GLU A 146 6.736 9.308 10.388 1.00 2.22 O ATOM 0 H GLU A 146 7.632 5.682 7.179 1.00 0.49 H new ATOM 0 HA GLU A 146 9.964 5.764 8.952 1.00 0.51 H new ATOM 0 HB2 GLU A 146 6.954 5.596 9.478 1.00 0.52 H new ATOM 0 HB3 GLU A 146 8.144 5.675 10.762 1.00 0.52 H new ATOM 0 HG2 GLU A 146 8.946 7.860 9.973 1.00 0.96 H new ATOM 0 HG3 GLU A 146 7.946 7.761 8.537 1.00 0.96 H new ATOM 2252 N ARG A 147 8.120 2.982 9.030 1.00 0.59 N ATOM 2253 CA ARG A 147 8.299 1.549 9.490 1.00 0.62 C ATOM 2254 C ARG A 147 8.653 0.591 8.348 1.00 0.58 C ATOM 2255 O ARG A 147 9.532 -0.239 8.466 1.00 0.62 O ATOM 2256 CB ARG A 147 7.004 1.083 10.151 1.00 0.63 C ATOM 2257 CG ARG A 147 6.756 1.911 11.416 1.00 0.73 C ATOM 2258 CD ARG A 147 5.596 1.305 12.203 1.00 1.11 C ATOM 2259 NE ARG A 147 5.310 2.152 13.394 1.00 1.75 N ATOM 2260 CZ ARG A 147 4.191 2.000 14.046 1.00 2.40 C ATOM 2261 NH1 ARG A 147 3.327 1.104 13.655 1.00 2.71 N ATOM 2262 NH2 ARG A 147 3.936 2.742 15.088 1.00 3.30 N ATOM 0 H ARG A 147 7.209 3.213 8.633 1.00 0.59 H new ATOM 0 HA ARG A 147 9.134 1.532 10.190 1.00 0.62 H new ATOM 0 HB2 ARG A 147 6.169 1.194 9.460 1.00 0.63 H new ATOM 0 HB3 ARG A 147 7.071 0.024 10.402 1.00 0.63 H new ATOM 0 HG2 ARG A 147 7.655 1.932 12.032 1.00 0.73 H new ATOM 0 HG3 ARG A 147 6.528 2.943 11.149 1.00 0.73 H new ATOM 0 HD2 ARG A 147 4.710 1.236 11.571 1.00 1.11 H new ATOM 0 HD3 ARG A 147 5.845 0.291 12.516 1.00 1.11 H new ATOM 0 HE ARG A 147 5.988 2.850 13.699 1.00 1.75 H new ATOM 0 HH11 ARG A 147 3.527 0.524 12.840 1.00 2.71 H new ATOM 0 HH12 ARG A 147 2.451 0.984 14.164 1.00 2.71 H new ATOM 0 HH21 ARG A 147 4.612 3.442 15.393 1.00 3.30 H new ATOM 0 HH22 ARG A 147 3.060 2.622 15.597 1.00 3.30 H new ATOM 2276 N LEU A 148 7.939 0.668 7.261 1.00 0.53 N ATOM 2277 CA LEU A 148 8.161 -0.254 6.106 1.00 0.57 C ATOM 2278 C LEU A 148 9.320 0.212 5.207 1.00 0.67 C ATOM 2279 O LEU A 148 9.295 -0.001 4.012 1.00 1.61 O ATOM 2280 CB LEU A 148 6.830 -0.276 5.296 1.00 0.59 C ATOM 2281 CG LEU A 148 6.116 -1.631 5.446 1.00 0.70 C ATOM 2282 CD1 LEU A 148 5.820 -1.921 6.932 1.00 1.29 C ATOM 2283 CD2 LEU A 148 4.807 -1.587 4.649 1.00 1.34 C ATOM 0 H LEU A 148 7.192 1.347 7.119 1.00 0.53 H new ATOM 0 HA LEU A 148 8.434 -1.245 6.468 1.00 0.57 H new ATOM 0 HB2 LEU A 148 6.176 0.524 5.642 1.00 0.59 H new ATOM 0 HB3 LEU A 148 7.038 -0.085 4.243 1.00 0.59 H new ATOM 0 HG LEU A 148 6.757 -2.426 5.065 1.00 0.70 H new ATOM 0 HD11 LEU A 148 5.315 -2.883 7.021 1.00 1.29 H new ATOM 0 HD12 LEU A 148 6.756 -1.949 7.491 1.00 1.29 H new ATOM 0 HD13 LEU A 148 5.180 -1.136 7.335 1.00 1.29 H new ATOM 0 HD21 LEU A 148 4.290 -2.541 4.746 1.00 1.34 H new ATOM 0 HD22 LEU A 148 4.172 -0.789 5.035 1.00 1.34 H new ATOM 0 HD23 LEU A 148 5.027 -1.399 3.598 1.00 1.34 H new ATOM 2295 N LEU A 149 10.335 0.838 5.751 1.00 0.67 N ATOM 2296 CA LEU A 149 11.479 1.299 4.891 1.00 0.57 C ATOM 2297 C LEU A 149 12.722 0.441 5.152 1.00 0.56 C ATOM 2298 O LEU A 149 13.321 -0.078 4.236 1.00 0.58 O ATOM 2299 CB LEU A 149 11.794 2.765 5.201 1.00 0.54 C ATOM 2300 CG LEU A 149 12.825 3.317 4.199 1.00 0.59 C ATOM 2301 CD1 LEU A 149 12.182 3.531 2.818 1.00 0.83 C ATOM 2302 CD2 LEU A 149 13.357 4.654 4.726 1.00 1.21 C ATOM 0 H LEU A 149 10.425 1.050 6.745 1.00 0.67 H new ATOM 0 HA LEU A 149 11.195 1.198 3.843 1.00 0.57 H new ATOM 0 HB2 LEU A 149 10.880 3.357 5.155 1.00 0.54 H new ATOM 0 HB3 LEU A 149 12.181 2.853 6.216 1.00 0.54 H new ATOM 0 HG LEU A 149 13.638 2.599 4.093 1.00 0.59 H new ATOM 0 HD11 LEU A 149 12.928 3.921 2.126 1.00 0.83 H new ATOM 0 HD12 LEU A 149 11.801 2.581 2.443 1.00 0.83 H new ATOM 0 HD13 LEU A 149 11.361 4.242 2.905 1.00 0.83 H new ATOM 0 HD21 LEU A 149 14.089 5.056 4.025 1.00 1.21 H new ATOM 0 HD22 LEU A 149 12.531 5.358 4.832 1.00 1.21 H new ATOM 0 HD23 LEU A 149 13.830 4.501 5.696 1.00 1.21 H new ATOM 2314 N GLY A 150 13.124 0.306 6.384 1.00 0.56 N ATOM 2315 CA GLY A 150 14.346 -0.498 6.696 1.00 0.58 C ATOM 2316 C GLY A 150 14.186 -1.951 6.229 1.00 0.62 C ATOM 2317 O GLY A 150 15.106 -2.545 5.695 1.00 0.70 O ATOM 0 H GLY A 150 12.660 0.718 7.194 1.00 0.56 H new ATOM 0 HA2 GLY A 150 15.213 -0.050 6.211 1.00 0.58 H new ATOM 0 HA3 GLY A 150 14.535 -0.477 7.769 1.00 0.58 H new ATOM 2321 N TRP A 151 13.045 -2.541 6.451 1.00 0.63 N ATOM 2322 CA TRP A 151 12.851 -3.967 6.049 1.00 0.69 C ATOM 2323 C TRP A 151 12.880 -4.119 4.523 1.00 0.70 C ATOM 2324 O TRP A 151 13.240 -5.161 4.012 1.00 0.72 O ATOM 2325 CB TRP A 151 11.504 -4.467 6.590 1.00 0.73 C ATOM 2326 CG TRP A 151 11.632 -4.795 8.045 1.00 1.25 C ATOM 2327 CD1 TRP A 151 11.852 -6.033 8.544 1.00 2.17 C ATOM 2328 CD2 TRP A 151 11.554 -3.899 9.191 1.00 1.86 C ATOM 2329 NE1 TRP A 151 11.914 -5.954 9.923 1.00 2.65 N ATOM 2330 CE2 TRP A 151 11.736 -4.660 10.370 1.00 2.43 C ATOM 2331 CE3 TRP A 151 11.346 -2.515 9.321 1.00 2.68 C ATOM 2332 CZ2 TRP A 151 11.711 -4.069 11.633 1.00 3.17 C ATOM 2333 CZ3 TRP A 151 11.320 -1.916 10.591 1.00 3.62 C ATOM 2334 CH2 TRP A 151 11.503 -2.691 11.745 1.00 3.67 C ATOM 0 H TRP A 151 12.238 -2.101 6.893 1.00 0.63 H new ATOM 0 HA TRP A 151 13.665 -4.559 6.466 1.00 0.69 H new ATOM 0 HB2 TRP A 151 10.738 -3.705 6.446 1.00 0.73 H new ATOM 0 HB3 TRP A 151 11.184 -5.349 6.036 1.00 0.73 H new ATOM 0 HD1 TRP A 151 11.961 -6.935 7.961 1.00 2.17 H new ATOM 0 HE1 TRP A 151 12.072 -6.754 10.535 1.00 2.65 H new ATOM 0 HE3 TRP A 151 11.205 -1.908 8.439 1.00 2.68 H new ATOM 0 HZ2 TRP A 151 11.851 -4.672 12.518 1.00 3.17 H new ATOM 0 HZ3 TRP A 151 11.158 -0.852 10.679 1.00 3.62 H new ATOM 0 HH2 TRP A 151 11.483 -2.224 12.719 1.00 3.67 H new ATOM 2345 N ILE A 152 12.503 -3.113 3.785 1.00 0.73 N ATOM 2346 CA ILE A 152 12.517 -3.262 2.302 1.00 0.76 C ATOM 2347 C ILE A 152 13.967 -3.306 1.807 1.00 0.79 C ATOM 2348 O ILE A 152 14.341 -4.167 1.036 1.00 0.89 O ATOM 2349 CB ILE A 152 11.767 -2.096 1.647 1.00 0.78 C ATOM 2350 CG1 ILE A 152 10.326 -2.079 2.174 1.00 0.83 C ATOM 2351 CG2 ILE A 152 11.757 -2.286 0.123 1.00 0.92 C ATOM 2352 CD1 ILE A 152 9.544 -0.923 1.540 1.00 0.94 C ATOM 0 H ILE A 152 12.190 -2.208 4.136 1.00 0.73 H new ATOM 0 HA ILE A 152 12.017 -4.191 2.028 1.00 0.76 H new ATOM 0 HB ILE A 152 12.260 -1.154 1.886 1.00 0.78 H new ATOM 0 HG12 ILE A 152 9.837 -3.026 1.947 1.00 0.83 H new ATOM 0 HG13 ILE A 152 10.329 -1.974 3.259 1.00 0.83 H new ATOM 0 HG21 ILE A 152 11.224 -1.458 -0.343 1.00 0.92 H new ATOM 0 HG22 ILE A 152 12.782 -2.312 -0.247 1.00 0.92 H new ATOM 0 HG23 ILE A 152 11.258 -3.223 -0.124 1.00 0.92 H new ATOM 0 HD11 ILE A 152 8.523 -0.922 1.922 1.00 0.94 H new ATOM 0 HD12 ILE A 152 10.026 0.022 1.789 1.00 0.94 H new ATOM 0 HD13 ILE A 152 9.526 -1.047 0.457 1.00 0.94 H new ATOM 2364 N GLN A 153 14.784 -2.384 2.240 1.00 0.77 N ATOM 2365 CA GLN A 153 16.206 -2.383 1.784 1.00 0.80 C ATOM 2366 C GLN A 153 16.808 -3.778 1.984 1.00 0.81 C ATOM 2367 O GLN A 153 17.547 -4.263 1.151 1.00 0.82 O ATOM 2368 CB GLN A 153 17.032 -1.335 2.565 1.00 0.82 C ATOM 2369 CG GLN A 153 16.109 -0.265 3.143 1.00 1.09 C ATOM 2370 CD GLN A 153 16.948 0.881 3.712 1.00 1.98 C ATOM 2371 OE1 GLN A 153 18.130 0.974 3.448 1.00 2.66 O ATOM 2372 NE2 GLN A 153 16.382 1.763 4.490 1.00 2.77 N ATOM 0 H GLN A 153 14.532 -1.636 2.886 1.00 0.77 H new ATOM 0 HA GLN A 153 16.234 -2.121 0.726 1.00 0.80 H new ATOM 0 HB2 GLN A 153 17.585 -1.822 3.368 1.00 0.82 H new ATOM 0 HB3 GLN A 153 17.767 -0.874 1.905 1.00 0.82 H new ATOM 0 HG2 GLN A 153 15.440 0.110 2.368 1.00 1.09 H new ATOM 0 HG3 GLN A 153 15.483 -0.694 3.925 1.00 1.09 H new ATOM 0 HE21 GLN A 153 15.389 1.685 4.712 1.00 2.77 H new ATOM 0 HE22 GLN A 153 16.932 2.530 4.876 1.00 2.77 H new ATOM 2381 N ASP A 154 16.525 -4.424 3.084 1.00 0.83 N ATOM 2382 CA ASP A 154 17.125 -5.770 3.300 1.00 0.86 C ATOM 2383 C ASP A 154 16.665 -6.711 2.181 1.00 0.85 C ATOM 2384 O ASP A 154 17.217 -7.774 1.980 1.00 0.94 O ATOM 2385 CB ASP A 154 16.696 -6.322 4.662 1.00 0.90 C ATOM 2386 CG ASP A 154 17.214 -5.409 5.774 1.00 1.28 C ATOM 2387 OD1 ASP A 154 17.395 -4.231 5.511 1.00 1.99 O ATOM 2388 OD2 ASP A 154 17.419 -5.903 6.870 1.00 1.84 O ATOM 0 H ASP A 154 15.916 -4.085 3.829 1.00 0.83 H new ATOM 0 HA ASP A 154 18.212 -5.692 3.284 1.00 0.86 H new ATOM 0 HB2 ASP A 154 15.609 -6.391 4.711 1.00 0.90 H new ATOM 0 HB3 ASP A 154 17.086 -7.331 4.795 1.00 0.90 H new ATOM 2393 N GLN A 155 15.651 -6.320 1.457 1.00 0.79 N ATOM 2394 CA GLN A 155 15.143 -7.184 0.351 1.00 0.79 C ATOM 2395 C GLN A 155 16.072 -7.066 -0.862 1.00 0.72 C ATOM 2396 O GLN A 155 16.485 -8.052 -1.441 1.00 1.03 O ATOM 2397 CB GLN A 155 13.729 -6.743 -0.037 1.00 0.90 C ATOM 2398 CG GLN A 155 13.055 -7.841 -0.864 1.00 1.37 C ATOM 2399 CD GLN A 155 12.661 -9.002 0.052 1.00 2.01 C ATOM 2400 OE1 GLN A 155 13.378 -9.977 0.159 1.00 2.72 O ATOM 2401 NE2 GLN A 155 11.543 -8.939 0.721 1.00 2.54 N ATOM 0 H GLN A 155 15.152 -5.439 1.583 1.00 0.79 H new ATOM 0 HA GLN A 155 15.118 -8.221 0.685 1.00 0.79 H new ATOM 0 HB2 GLN A 155 13.143 -6.538 0.859 1.00 0.90 H new ATOM 0 HB3 GLN A 155 13.771 -5.817 -0.610 1.00 0.90 H new ATOM 0 HG2 GLN A 155 12.172 -7.443 -1.365 1.00 1.37 H new ATOM 0 HG3 GLN A 155 13.732 -8.192 -1.643 1.00 1.37 H new ATOM 0 HE21 GLN A 155 10.941 -8.121 0.632 1.00 2.54 H new ATOM 0 HE22 GLN A 155 11.271 -9.708 1.334 1.00 2.54 H new ATOM 2410 N GLY A 156 16.413 -5.858 -1.237 1.00 0.63 N ATOM 2411 CA GLY A 156 17.329 -5.638 -2.403 1.00 0.72 C ATOM 2412 C GLY A 156 16.688 -4.651 -3.383 1.00 0.87 C ATOM 2413 O GLY A 156 17.190 -4.434 -4.468 1.00 1.38 O ATOM 0 H GLY A 156 16.093 -5.004 -0.780 1.00 0.63 H new ATOM 0 HA2 GLY A 156 18.288 -5.251 -2.057 1.00 0.72 H new ATOM 0 HA3 GLY A 156 17.529 -6.585 -2.904 1.00 0.72 H new ATOM 2417 N GLY A 157 15.584 -4.048 -3.008 1.00 0.81 N ATOM 2418 CA GLY A 157 14.900 -3.063 -3.911 1.00 1.10 C ATOM 2419 C GLY A 157 13.532 -3.608 -4.324 1.00 0.84 C ATOM 2420 O GLY A 157 13.162 -4.716 -3.992 1.00 0.88 O ATOM 0 H GLY A 157 15.124 -4.196 -2.110 1.00 0.81 H new ATOM 0 HA2 GLY A 157 14.783 -2.107 -3.400 1.00 1.10 H new ATOM 0 HA3 GLY A 157 15.511 -2.879 -4.795 1.00 1.10 H new ATOM 2424 N TRP A 158 12.770 -2.817 -5.034 1.00 0.67 N ATOM 2425 CA TRP A 158 11.412 -3.259 -5.461 1.00 0.50 C ATOM 2426 C TRP A 158 11.515 -4.492 -6.360 1.00 0.51 C ATOM 2427 O TRP A 158 10.556 -5.236 -6.521 1.00 0.53 O ATOM 2428 CB TRP A 158 10.722 -2.125 -6.220 1.00 0.51 C ATOM 2429 CG TRP A 158 10.354 -1.037 -5.261 1.00 0.46 C ATOM 2430 CD1 TRP A 158 10.936 0.183 -5.213 1.00 0.59 C ATOM 2431 CD2 TRP A 158 9.339 -1.047 -4.215 1.00 0.46 C ATOM 2432 NE1 TRP A 158 10.342 0.921 -4.205 1.00 0.55 N ATOM 2433 CE2 TRP A 158 9.353 0.207 -3.561 1.00 0.47 C ATOM 2434 CE3 TRP A 158 8.417 -2.013 -3.774 1.00 0.65 C ATOM 2435 CZ2 TRP A 158 8.485 0.494 -2.508 1.00 0.58 C ATOM 2436 CZ3 TRP A 158 7.540 -1.728 -2.714 1.00 0.84 C ATOM 2437 CH2 TRP A 158 7.574 -0.477 -2.082 1.00 0.78 C ATOM 0 H TRP A 158 13.033 -1.879 -5.337 1.00 0.67 H new ATOM 0 HA TRP A 158 10.828 -3.516 -4.577 1.00 0.50 H new ATOM 0 HB2 TRP A 158 11.384 -1.735 -6.993 1.00 0.51 H new ATOM 0 HB3 TRP A 158 9.830 -2.499 -6.723 1.00 0.51 H new ATOM 0 HD1 TRP A 158 11.734 0.525 -5.856 1.00 0.59 H new ATOM 0 HE1 TRP A 158 10.604 1.878 -3.967 1.00 0.55 H new ATOM 0 HE3 TRP A 158 8.383 -2.980 -4.253 1.00 0.65 H new ATOM 0 HZ2 TRP A 158 8.516 1.459 -2.025 1.00 0.58 H new ATOM 0 HZ3 TRP A 158 6.835 -2.477 -2.384 1.00 0.84 H new ATOM 0 HH2 TRP A 158 6.898 -0.264 -1.267 1.00 0.78 H new ATOM 2448 N ASP A 159 12.646 -4.739 -6.969 1.00 0.50 N ATOM 2449 CA ASP A 159 12.739 -5.930 -7.850 1.00 0.51 C ATOM 2450 C ASP A 159 12.306 -7.156 -7.049 1.00 0.51 C ATOM 2451 O ASP A 159 11.707 -8.076 -7.569 1.00 0.51 O ATOM 2452 CB ASP A 159 14.185 -6.093 -8.334 1.00 0.54 C ATOM 2453 CG ASP A 159 14.579 -4.884 -9.186 1.00 1.66 C ATOM 2454 OD1 ASP A 159 14.048 -4.753 -10.276 1.00 2.37 O ATOM 2455 OD2 ASP A 159 15.406 -4.108 -8.733 1.00 2.46 O ATOM 0 H ASP A 159 13.493 -4.176 -6.894 1.00 0.50 H new ATOM 0 HA ASP A 159 12.092 -5.814 -8.720 1.00 0.51 H new ATOM 0 HB2 ASP A 159 14.857 -6.184 -7.481 1.00 0.54 H new ATOM 0 HB3 ASP A 159 14.283 -7.009 -8.916 1.00 0.54 H new ATOM 2460 N GLY A 160 12.594 -7.162 -5.773 1.00 0.52 N ATOM 2461 CA GLY A 160 12.184 -8.311 -4.921 1.00 0.54 C ATOM 2462 C GLY A 160 10.672 -8.481 -5.043 1.00 0.53 C ATOM 2463 O GLY A 160 10.153 -9.577 -4.965 1.00 0.54 O ATOM 0 H GLY A 160 13.096 -6.419 -5.287 1.00 0.52 H new ATOM 0 HA2 GLY A 160 12.695 -9.220 -5.237 1.00 0.54 H new ATOM 0 HA3 GLY A 160 12.464 -8.133 -3.883 1.00 0.54 H new ATOM 2467 N LEU A 161 9.960 -7.409 -5.263 1.00 0.54 N ATOM 2468 CA LEU A 161 8.487 -7.522 -5.422 1.00 0.56 C ATOM 2469 C LEU A 161 8.220 -8.446 -6.607 1.00 0.56 C ATOM 2470 O LEU A 161 7.471 -9.399 -6.529 1.00 0.62 O ATOM 2471 CB LEU A 161 7.889 -6.123 -5.703 1.00 0.58 C ATOM 2472 CG LEU A 161 6.492 -6.011 -5.043 1.00 0.74 C ATOM 2473 CD1 LEU A 161 5.893 -4.601 -5.250 1.00 1.63 C ATOM 2474 CD2 LEU A 161 5.562 -7.082 -5.643 1.00 1.56 C ATOM 0 H LEU A 161 10.336 -6.464 -5.339 1.00 0.54 H new ATOM 0 HA LEU A 161 8.030 -7.921 -4.517 1.00 0.56 H new ATOM 0 HB2 LEU A 161 8.550 -5.349 -5.312 1.00 0.58 H new ATOM 0 HB3 LEU A 161 7.808 -5.960 -6.778 1.00 0.58 H new ATOM 0 HG LEU A 161 6.593 -6.174 -3.970 1.00 0.74 H new ATOM 0 HD11 LEU A 161 4.912 -4.549 -4.777 1.00 1.63 H new ATOM 0 HD12 LEU A 161 6.551 -3.857 -4.802 1.00 1.63 H new ATOM 0 HD13 LEU A 161 5.792 -4.402 -6.317 1.00 1.63 H new ATOM 0 HD21 LEU A 161 4.577 -7.008 -5.182 1.00 1.56 H new ATOM 0 HD22 LEU A 161 5.472 -6.925 -6.718 1.00 1.56 H new ATOM 0 HD23 LEU A 161 5.978 -8.072 -5.454 1.00 1.56 H new ATOM 2486 N LEU A 162 8.872 -8.166 -7.714 1.00 0.53 N ATOM 2487 CA LEU A 162 8.729 -9.009 -8.936 1.00 0.56 C ATOM 2488 C LEU A 162 9.243 -10.422 -8.620 1.00 0.55 C ATOM 2489 O LEU A 162 8.716 -11.401 -9.112 1.00 0.57 O ATOM 2490 CB LEU A 162 9.588 -8.363 -10.066 1.00 0.61 C ATOM 2491 CG LEU A 162 8.783 -8.113 -11.359 1.00 0.80 C ATOM 2492 CD1 LEU A 162 8.006 -9.379 -11.783 1.00 1.56 C ATOM 2493 CD2 LEU A 162 7.829 -6.903 -11.179 1.00 1.33 C ATOM 0 H LEU A 162 9.507 -7.374 -7.818 1.00 0.53 H new ATOM 0 HA LEU A 162 7.689 -9.072 -9.255 1.00 0.56 H new ATOM 0 HB2 LEU A 162 9.998 -7.418 -9.710 1.00 0.61 H new ATOM 0 HB3 LEU A 162 10.434 -9.013 -10.290 1.00 0.61 H new ATOM 0 HG LEU A 162 9.485 -7.876 -12.158 1.00 0.80 H new ATOM 0 HD11 LEU A 162 7.448 -9.174 -12.697 1.00 1.56 H new ATOM 0 HD12 LEU A 162 8.708 -10.194 -11.961 1.00 1.56 H new ATOM 0 HD13 LEU A 162 7.313 -9.663 -10.991 1.00 1.56 H new ATOM 0 HD21 LEU A 162 7.269 -6.741 -12.100 1.00 1.33 H new ATOM 0 HD22 LEU A 162 7.135 -7.105 -10.363 1.00 1.33 H new ATOM 0 HD23 LEU A 162 8.412 -6.012 -10.947 1.00 1.33 H new ATOM 2505 N SER A 163 10.278 -10.543 -7.842 1.00 0.54 N ATOM 2506 CA SER A 163 10.824 -11.896 -7.542 1.00 0.56 C ATOM 2507 C SER A 163 9.774 -12.763 -6.830 1.00 0.53 C ATOM 2508 O SER A 163 9.686 -13.956 -7.033 1.00 0.60 O ATOM 2509 CB SER A 163 12.028 -11.752 -6.620 1.00 0.63 C ATOM 2510 OG SER A 163 12.616 -13.032 -6.424 1.00 1.32 O ATOM 0 H SER A 163 10.770 -9.766 -7.400 1.00 0.54 H new ATOM 0 HA SER A 163 11.105 -12.371 -8.482 1.00 0.56 H new ATOM 0 HB2 SER A 163 12.755 -11.066 -7.055 1.00 0.63 H new ATOM 0 HB3 SER A 163 11.722 -11.328 -5.664 1.00 0.63 H new ATOM 0 HG SER A 163 13.393 -12.948 -5.833 1.00 1.32 H new ATOM 2516 N TYR A 164 8.981 -12.145 -5.986 1.00 0.59 N ATOM 2517 CA TYR A 164 7.933 -12.896 -5.232 1.00 0.64 C ATOM 2518 C TYR A 164 6.710 -13.076 -6.125 1.00 0.63 C ATOM 2519 O TYR A 164 6.030 -14.081 -6.075 1.00 0.68 O ATOM 2520 CB TYR A 164 7.541 -12.106 -3.974 1.00 0.69 C ATOM 2521 CG TYR A 164 6.572 -12.915 -3.134 1.00 0.72 C ATOM 2522 CD1 TYR A 164 7.016 -14.065 -2.467 1.00 1.50 C ATOM 2523 CD2 TYR A 164 5.233 -12.513 -3.016 1.00 1.34 C ATOM 2524 CE1 TYR A 164 6.123 -14.812 -1.686 1.00 1.57 C ATOM 2525 CE2 TYR A 164 4.341 -13.262 -2.234 1.00 1.35 C ATOM 2526 CZ TYR A 164 4.787 -14.411 -1.570 1.00 0.87 C ATOM 2527 OH TYR A 164 3.910 -15.149 -0.802 1.00 0.97 O ATOM 0 H TYR A 164 9.017 -11.145 -5.788 1.00 0.59 H new ATOM 0 HA TYR A 164 8.319 -13.872 -4.937 1.00 0.64 H new ATOM 0 HB2 TYR A 164 8.431 -11.870 -3.391 1.00 0.69 H new ATOM 0 HB3 TYR A 164 7.085 -11.158 -4.258 1.00 0.69 H new ATOM 0 HD1 TYR A 164 8.047 -14.376 -2.555 1.00 1.50 H new ATOM 0 HD2 TYR A 164 4.889 -11.626 -3.528 1.00 1.34 H new ATOM 0 HE1 TYR A 164 6.466 -15.698 -1.173 1.00 1.57 H new ATOM 0 HE2 TYR A 164 3.310 -12.952 -2.144 1.00 1.35 H new ATOM 0 HH TYR A 164 3.023 -14.733 -0.827 1.00 0.97 H new ATOM 2537 N PHE A 165 6.426 -12.101 -6.940 1.00 0.64 N ATOM 2538 CA PHE A 165 5.248 -12.202 -7.840 1.00 0.72 C ATOM 2539 C PHE A 165 5.556 -13.185 -8.973 1.00 0.82 C ATOM 2540 O PHE A 165 4.800 -13.317 -9.915 1.00 1.56 O ATOM 2541 CB PHE A 165 4.926 -10.805 -8.418 1.00 0.74 C ATOM 2542 CG PHE A 165 3.802 -10.161 -7.629 1.00 0.84 C ATOM 2543 CD1 PHE A 165 3.954 -9.942 -6.255 1.00 1.42 C ATOM 2544 CD2 PHE A 165 2.610 -9.792 -8.269 1.00 1.65 C ATOM 2545 CE1 PHE A 165 2.917 -9.357 -5.520 1.00 1.71 C ATOM 2546 CE2 PHE A 165 1.574 -9.206 -7.533 1.00 1.96 C ATOM 2547 CZ PHE A 165 1.727 -8.988 -6.159 1.00 1.66 C ATOM 0 H PHE A 165 6.961 -11.236 -7.021 1.00 0.64 H new ATOM 0 HA PHE A 165 4.385 -12.564 -7.282 1.00 0.72 H new ATOM 0 HB2 PHE A 165 5.814 -10.174 -8.382 1.00 0.74 H new ATOM 0 HB3 PHE A 165 4.641 -10.893 -9.466 1.00 0.74 H new ATOM 0 HD1 PHE A 165 4.872 -10.225 -5.762 1.00 1.42 H new ATOM 0 HD2 PHE A 165 2.492 -9.960 -9.329 1.00 1.65 H new ATOM 0 HE1 PHE A 165 3.034 -9.190 -4.459 1.00 1.71 H new ATOM 0 HE2 PHE A 165 0.656 -8.922 -8.026 1.00 1.96 H new ATOM 0 HZ PHE A 165 0.927 -8.535 -5.592 1.00 1.66 H new ATOM 2557 N GLY A 166 6.658 -13.880 -8.890 1.00 0.94 N ATOM 2558 CA GLY A 166 7.002 -14.850 -9.963 1.00 1.01 C ATOM 2559 C GLY A 166 6.144 -16.102 -9.798 1.00 1.23 C ATOM 2560 O GLY A 166 6.364 -17.107 -10.444 1.00 1.85 O ATOM 0 H GLY A 166 7.332 -13.817 -8.127 1.00 0.94 H new ATOM 0 HA2 GLY A 166 6.831 -14.403 -10.943 1.00 1.01 H new ATOM 0 HA3 GLY A 166 8.059 -15.109 -9.911 1.00 1.01 H new ATOM 2606 N TRP A 170 -1.958 -17.044 -9.309 1.00 1.04 N ATOM 2607 CA TRP A 170 -2.127 -15.801 -8.498 1.00 1.01 C ATOM 2608 C TRP A 170 -3.332 -15.956 -7.565 1.00 0.92 C ATOM 2609 O TRP A 170 -3.556 -15.146 -6.688 1.00 0.95 O ATOM 2610 CB TRP A 170 -2.352 -14.613 -9.439 1.00 1.32 C ATOM 2611 CG TRP A 170 -3.272 -15.018 -10.546 1.00 1.70 C ATOM 2612 CD1 TRP A 170 -4.583 -15.317 -10.397 1.00 2.30 C ATOM 2613 CD2 TRP A 170 -2.974 -15.174 -11.964 1.00 2.52 C ATOM 2614 NE1 TRP A 170 -5.109 -15.646 -11.634 1.00 3.04 N ATOM 2615 CE2 TRP A 170 -4.157 -15.573 -12.631 1.00 3.15 C ATOM 2616 CE3 TRP A 170 -1.805 -15.010 -12.728 1.00 3.32 C ATOM 2617 CZ2 TRP A 170 -4.178 -15.800 -14.008 1.00 4.11 C ATOM 2618 CZ3 TRP A 170 -1.823 -15.238 -14.114 1.00 4.37 C ATOM 2619 CH2 TRP A 170 -3.008 -15.632 -14.752 1.00 4.64 C ATOM 0 HA TRP A 170 -1.232 -15.629 -7.900 1.00 1.01 H new ATOM 0 HB2 TRP A 170 -2.777 -13.775 -8.887 1.00 1.32 H new ATOM 0 HB3 TRP A 170 -1.400 -14.275 -9.849 1.00 1.32 H new ATOM 0 HD1 TRP A 170 -5.129 -15.301 -9.466 1.00 2.30 H new ATOM 0 HE1 TRP A 170 -6.082 -15.910 -11.790 1.00 3.04 H new ATOM 0 HE3 TRP A 170 -0.887 -14.707 -12.246 1.00 3.32 H new ATOM 0 HZ2 TRP A 170 -5.093 -16.104 -14.495 1.00 4.11 H new ATOM 0 HZ3 TRP A 170 -0.919 -15.109 -14.691 1.00 4.37 H new ATOM 0 HH2 TRP A 170 -3.016 -15.805 -15.818 1.00 4.64 H new ATOM 2630 N GLN A 171 -4.108 -16.990 -7.743 1.00 0.88 N ATOM 2631 CA GLN A 171 -5.294 -17.192 -6.861 1.00 0.84 C ATOM 2632 C GLN A 171 -4.827 -17.316 -5.405 1.00 0.75 C ATOM 2633 O GLN A 171 -5.548 -16.974 -4.489 1.00 0.75 O ATOM 2634 CB GLN A 171 -6.040 -18.459 -7.290 1.00 0.88 C ATOM 2635 CG GLN A 171 -7.370 -18.561 -6.543 1.00 1.57 C ATOM 2636 CD GLN A 171 -8.110 -19.822 -6.997 1.00 1.93 C ATOM 2637 OE1 GLN A 171 -7.498 -20.769 -7.451 1.00 2.66 O ATOM 2638 NE2 GLN A 171 -9.410 -19.875 -6.895 1.00 2.34 N ATOM 0 H GLN A 171 -3.973 -17.703 -8.460 1.00 0.88 H new ATOM 0 HA GLN A 171 -5.969 -16.340 -6.947 1.00 0.84 H new ATOM 0 HB2 GLN A 171 -6.218 -18.440 -8.365 1.00 0.88 H new ATOM 0 HB3 GLN A 171 -5.429 -19.338 -7.084 1.00 0.88 H new ATOM 0 HG2 GLN A 171 -7.195 -18.596 -5.468 1.00 1.57 H new ATOM 0 HG3 GLN A 171 -7.979 -17.678 -6.738 1.00 1.57 H new ATOM 0 HE21 GLN A 171 -9.924 -19.081 -6.514 1.00 2.34 H new ATOM 0 HE22 GLN A 171 -9.912 -20.711 -7.196 1.00 2.34 H new ATOM 2647 N THR A 172 -3.632 -17.784 -5.177 1.00 0.67 N ATOM 2648 CA THR A 172 -3.144 -17.898 -3.770 1.00 0.60 C ATOM 2649 C THR A 172 -2.864 -16.486 -3.232 1.00 0.59 C ATOM 2650 O THR A 172 -3.073 -16.215 -2.065 1.00 0.74 O ATOM 2651 CB THR A 172 -1.871 -18.762 -3.735 1.00 0.59 C ATOM 2652 OG1 THR A 172 -2.248 -20.131 -3.722 1.00 0.81 O ATOM 2653 CG2 THR A 172 -1.045 -18.459 -2.479 1.00 0.92 C ATOM 0 H THR A 172 -2.976 -18.091 -5.895 1.00 0.67 H new ATOM 0 HA THR A 172 -3.896 -18.376 -3.143 1.00 0.60 H new ATOM 0 HB THR A 172 -1.266 -18.538 -4.614 1.00 0.59 H new ATOM 0 HG1 THR A 172 -1.444 -20.691 -3.701 1.00 0.81 H new ATOM 0 HG21 THR A 172 -0.149 -19.080 -2.474 1.00 0.92 H new ATOM 0 HG22 THR A 172 -0.757 -17.408 -2.478 1.00 0.92 H new ATOM 0 HG23 THR A 172 -1.640 -18.673 -1.592 1.00 0.92 H new ATOM 2661 N VAL A 173 -2.413 -15.580 -4.054 1.00 0.59 N ATOM 2662 CA VAL A 173 -2.144 -14.195 -3.566 1.00 0.58 C ATOM 2663 C VAL A 173 -3.474 -13.467 -3.341 1.00 0.57 C ATOM 2664 O VAL A 173 -3.574 -12.601 -2.493 1.00 0.60 O ATOM 2665 CB VAL A 173 -1.315 -13.455 -4.624 1.00 0.64 C ATOM 2666 CG1 VAL A 173 -1.247 -11.960 -4.300 1.00 1.13 C ATOM 2667 CG2 VAL A 173 0.102 -14.034 -4.647 1.00 1.01 C ATOM 0 H VAL A 173 -2.218 -15.737 -5.043 1.00 0.59 H new ATOM 0 HA VAL A 173 -1.595 -14.227 -2.625 1.00 0.58 H new ATOM 0 HB VAL A 173 -1.787 -13.582 -5.598 1.00 0.64 H new ATOM 0 HG11 VAL A 173 -0.655 -11.450 -5.060 1.00 1.13 H new ATOM 0 HG12 VAL A 173 -2.255 -11.545 -4.285 1.00 1.13 H new ATOM 0 HG13 VAL A 173 -0.782 -11.820 -3.324 1.00 1.13 H new ATOM 0 HG21 VAL A 173 0.696 -13.512 -5.397 1.00 1.01 H new ATOM 0 HG22 VAL A 173 0.563 -13.908 -3.667 1.00 1.01 H new ATOM 0 HG23 VAL A 173 0.058 -15.095 -4.893 1.00 1.01 H new ATOM 2677 N THR A 174 -4.497 -13.809 -4.069 1.00 0.55 N ATOM 2678 CA THR A 174 -5.809 -13.128 -3.861 1.00 0.56 C ATOM 2679 C THR A 174 -6.377 -13.541 -2.499 1.00 0.53 C ATOM 2680 O THR A 174 -6.912 -12.730 -1.769 1.00 0.55 O ATOM 2681 CB THR A 174 -6.776 -13.549 -4.969 1.00 0.59 C ATOM 2682 OG1 THR A 174 -6.860 -14.967 -5.007 1.00 1.37 O ATOM 2683 CG2 THR A 174 -6.268 -13.030 -6.315 1.00 1.27 C ATOM 0 H THR A 174 -4.486 -14.525 -4.795 1.00 0.55 H new ATOM 0 HA THR A 174 -5.675 -12.047 -3.888 1.00 0.56 H new ATOM 0 HB THR A 174 -7.763 -13.131 -4.770 1.00 0.59 H new ATOM 0 HG1 THR A 174 -6.063 -15.353 -4.587 1.00 1.37 H new ATOM 0 HG21 THR A 174 -6.957 -13.330 -7.104 1.00 1.27 H new ATOM 0 HG22 THR A 174 -6.203 -11.942 -6.284 1.00 1.27 H new ATOM 0 HG23 THR A 174 -5.281 -13.447 -6.517 1.00 1.27 H new ATOM 2691 N ILE A 175 -6.261 -14.790 -2.149 1.00 0.51 N ATOM 2692 CA ILE A 175 -6.788 -15.258 -0.832 1.00 0.50 C ATOM 2693 C ILE A 175 -5.836 -14.807 0.281 1.00 0.49 C ATOM 2694 O ILE A 175 -6.216 -14.700 1.430 1.00 0.49 O ATOM 2695 CB ILE A 175 -6.855 -16.788 -0.848 1.00 0.52 C ATOM 2696 CG1 ILE A 175 -7.726 -17.257 -2.016 1.00 0.77 C ATOM 2697 CG2 ILE A 175 -7.446 -17.311 0.463 1.00 0.87 C ATOM 2698 CD1 ILE A 175 -7.541 -18.763 -2.212 1.00 0.89 C ATOM 0 H ILE A 175 -5.822 -15.513 -2.719 1.00 0.51 H new ATOM 0 HA ILE A 175 -7.779 -14.841 -0.655 1.00 0.50 H new ATOM 0 HB ILE A 175 -5.843 -17.177 -0.964 1.00 0.52 H new ATOM 0 HG12 ILE A 175 -8.774 -17.031 -1.817 1.00 0.77 H new ATOM 0 HG13 ILE A 175 -7.452 -16.724 -2.926 1.00 0.77 H new ATOM 0 HG21 ILE A 175 -7.487 -18.400 0.435 1.00 0.87 H new ATOM 0 HG22 ILE A 175 -6.820 -16.992 1.297 1.00 0.87 H new ATOM 0 HG23 ILE A 175 -8.453 -16.914 0.592 1.00 0.87 H new ATOM 0 HD11 ILE A 175 -8.160 -19.100 -3.043 1.00 0.89 H new ATOM 0 HD12 ILE A 175 -6.494 -18.976 -2.429 1.00 0.89 H new ATOM 0 HD13 ILE A 175 -7.837 -19.287 -1.303 1.00 0.89 H new ATOM 2710 N PHE A 176 -4.610 -14.527 -0.054 1.00 0.48 N ATOM 2711 CA PHE A 176 -3.634 -14.063 0.975 1.00 0.49 C ATOM 2712 C PHE A 176 -3.990 -12.634 1.410 1.00 0.49 C ATOM 2713 O PHE A 176 -4.146 -12.353 2.582 1.00 0.56 O ATOM 2714 CB PHE A 176 -2.229 -14.062 0.354 1.00 0.51 C ATOM 2715 CG PHE A 176 -1.191 -14.056 1.455 1.00 0.51 C ATOM 2716 CD1 PHE A 176 -0.896 -12.866 2.131 1.00 1.41 C ATOM 2717 CD2 PHE A 176 -0.532 -15.242 1.806 1.00 1.23 C ATOM 2718 CE1 PHE A 176 0.059 -12.861 3.156 1.00 1.52 C ATOM 2719 CE2 PHE A 176 0.421 -15.236 2.831 1.00 1.22 C ATOM 2720 CZ PHE A 176 0.716 -14.046 3.506 1.00 0.76 C ATOM 0 H PHE A 176 -4.237 -14.599 -1.001 1.00 0.48 H new ATOM 0 HA PHE A 176 -3.665 -14.725 1.840 1.00 0.49 H new ATOM 0 HB2 PHE A 176 -2.099 -14.940 -0.279 1.00 0.51 H new ATOM 0 HB3 PHE A 176 -2.103 -13.188 -0.284 1.00 0.51 H new ATOM 0 HD1 PHE A 176 -1.405 -11.952 1.862 1.00 1.41 H new ATOM 0 HD2 PHE A 176 -0.760 -16.161 1.286 1.00 1.23 H new ATOM 0 HE1 PHE A 176 0.288 -11.943 3.676 1.00 1.52 H new ATOM 0 HE2 PHE A 176 0.929 -16.150 3.101 1.00 1.22 H new ATOM 0 HZ PHE A 176 1.451 -14.042 4.297 1.00 0.76 H new ATOM 2730 N VAL A 177 -4.081 -11.724 0.478 1.00 0.46 N ATOM 2731 CA VAL A 177 -4.383 -10.305 0.836 1.00 0.48 C ATOM 2732 C VAL A 177 -5.862 -10.136 1.194 1.00 0.44 C ATOM 2733 O VAL A 177 -6.206 -9.368 2.071 1.00 0.57 O ATOM 2734 CB VAL A 177 -4.054 -9.408 -0.360 1.00 0.56 C ATOM 2735 CG1 VAL A 177 -2.592 -9.604 -0.764 1.00 1.20 C ATOM 2736 CG2 VAL A 177 -4.961 -9.775 -1.537 1.00 1.24 C ATOM 0 H VAL A 177 -3.959 -11.901 -0.519 1.00 0.46 H new ATOM 0 HA VAL A 177 -3.780 -10.027 1.700 1.00 0.48 H new ATOM 0 HB VAL A 177 -4.216 -8.366 -0.085 1.00 0.56 H new ATOM 0 HG11 VAL A 177 -2.361 -8.964 -1.616 1.00 1.20 H new ATOM 0 HG12 VAL A 177 -1.945 -9.342 0.073 1.00 1.20 H new ATOM 0 HG13 VAL A 177 -2.427 -10.646 -1.038 1.00 1.20 H new ATOM 0 HG21 VAL A 177 -4.727 -9.137 -2.389 1.00 1.24 H new ATOM 0 HG22 VAL A 177 -4.799 -10.818 -1.810 1.00 1.24 H new ATOM 0 HG23 VAL A 177 -6.003 -9.632 -1.252 1.00 1.24 H new ATOM 2746 N ALA A 178 -6.742 -10.831 0.534 1.00 0.45 N ATOM 2747 CA ALA A 178 -8.190 -10.681 0.857 1.00 0.43 C ATOM 2748 C ALA A 178 -8.484 -11.280 2.237 1.00 0.40 C ATOM 2749 O ALA A 178 -9.050 -10.632 3.094 1.00 0.40 O ATOM 2750 CB ALA A 178 -9.027 -11.399 -0.201 1.00 0.46 C ATOM 0 H ALA A 178 -6.526 -11.493 -0.211 1.00 0.45 H new ATOM 0 HA ALA A 178 -8.445 -9.621 0.867 1.00 0.43 H new ATOM 0 HB1 ALA A 178 -10.085 -11.289 0.036 1.00 0.46 H new ATOM 0 HB2 ALA A 178 -8.827 -10.964 -1.180 1.00 0.46 H new ATOM 0 HB3 ALA A 178 -8.766 -12.457 -0.214 1.00 0.46 H new ATOM 2756 N GLY A 179 -8.112 -12.510 2.457 1.00 0.41 N ATOM 2757 CA GLY A 179 -8.383 -13.142 3.781 1.00 0.43 C ATOM 2758 C GLY A 179 -7.730 -12.321 4.895 1.00 0.43 C ATOM 2759 O GLY A 179 -8.202 -12.290 6.016 1.00 0.48 O ATOM 0 H GLY A 179 -7.633 -13.105 1.780 1.00 0.41 H new ATOM 0 HA2 GLY A 179 -9.458 -13.208 3.949 1.00 0.43 H new ATOM 0 HA3 GLY A 179 -7.995 -14.161 3.793 1.00 0.43 H new ATOM 2763 N VAL A 180 -6.641 -11.666 4.601 1.00 0.42 N ATOM 2764 CA VAL A 180 -5.950 -10.864 5.649 1.00 0.45 C ATOM 2765 C VAL A 180 -6.625 -9.503 5.835 1.00 0.45 C ATOM 2766 O VAL A 180 -6.699 -8.983 6.931 1.00 0.43 O ATOM 2767 CB VAL A 180 -4.475 -10.661 5.259 1.00 0.49 C ATOM 2768 CG1 VAL A 180 -3.829 -9.581 6.143 1.00 1.31 C ATOM 2769 CG2 VAL A 180 -3.716 -11.976 5.442 1.00 1.41 C ATOM 0 H VAL A 180 -6.200 -11.651 3.681 1.00 0.42 H new ATOM 0 HA VAL A 180 -6.010 -11.409 6.591 1.00 0.45 H new ATOM 0 HB VAL A 180 -4.429 -10.343 4.217 1.00 0.49 H new ATOM 0 HG11 VAL A 180 -2.786 -9.450 5.854 1.00 1.31 H new ATOM 0 HG12 VAL A 180 -4.362 -8.639 6.015 1.00 1.31 H new ATOM 0 HG13 VAL A 180 -3.880 -9.887 7.188 1.00 1.31 H new ATOM 0 HG21 VAL A 180 -2.671 -11.834 5.166 1.00 1.41 H new ATOM 0 HG22 VAL A 180 -3.777 -12.289 6.484 1.00 1.41 H new ATOM 0 HG23 VAL A 180 -4.158 -12.743 4.806 1.00 1.41 H new ATOM 2779 N LEU A 181 -7.104 -8.907 4.774 1.00 0.49 N ATOM 2780 CA LEU A 181 -7.744 -7.573 4.920 1.00 0.50 C ATOM 2781 C LEU A 181 -9.027 -7.721 5.743 1.00 0.49 C ATOM 2782 O LEU A 181 -9.403 -6.855 6.508 1.00 0.51 O ATOM 2783 CB LEU A 181 -8.082 -7.008 3.525 1.00 0.56 C ATOM 2784 CG LEU A 181 -6.864 -6.271 2.931 1.00 0.64 C ATOM 2785 CD1 LEU A 181 -6.969 -6.245 1.403 1.00 1.60 C ATOM 2786 CD2 LEU A 181 -6.821 -4.827 3.450 1.00 1.20 C ATOM 0 H LEU A 181 -7.079 -9.283 3.826 1.00 0.49 H new ATOM 0 HA LEU A 181 -7.062 -6.890 5.426 1.00 0.50 H new ATOM 0 HB2 LEU A 181 -8.383 -7.818 2.861 1.00 0.56 H new ATOM 0 HB3 LEU A 181 -8.928 -6.325 3.598 1.00 0.56 H new ATOM 0 HG LEU A 181 -5.957 -6.795 3.231 1.00 0.64 H new ATOM 0 HD11 LEU A 181 -6.107 -5.723 0.988 1.00 1.60 H new ATOM 0 HD12 LEU A 181 -6.993 -7.266 1.023 1.00 1.60 H new ATOM 0 HD13 LEU A 181 -7.882 -5.727 1.110 1.00 1.60 H new ATOM 0 HD21 LEU A 181 -5.958 -4.313 3.026 1.00 1.20 H new ATOM 0 HD22 LEU A 181 -7.733 -4.307 3.156 1.00 1.20 H new ATOM 0 HD23 LEU A 181 -6.741 -4.833 4.537 1.00 1.20 H new ATOM 2798 N THR A 182 -9.708 -8.820 5.556 1.00 0.49 N ATOM 2799 CA THR A 182 -10.984 -9.057 6.282 1.00 0.51 C ATOM 2800 C THR A 182 -10.718 -9.288 7.767 1.00 0.48 C ATOM 2801 O THR A 182 -11.473 -8.857 8.609 1.00 0.51 O ATOM 2802 CB THR A 182 -11.678 -10.290 5.694 1.00 0.54 C ATOM 2803 OG1 THR A 182 -11.799 -10.136 4.286 1.00 1.16 O ATOM 2804 CG2 THR A 182 -13.069 -10.442 6.312 1.00 1.07 C ATOM 0 H THR A 182 -9.429 -9.570 4.924 1.00 0.49 H new ATOM 0 HA THR A 182 -11.622 -8.180 6.171 1.00 0.51 H new ATOM 0 HB THR A 182 -11.087 -11.179 5.915 1.00 0.54 H new ATOM 0 HG1 THR A 182 -10.935 -10.319 3.861 1.00 1.16 H new ATOM 0 HG21 THR A 182 -13.560 -11.320 5.892 1.00 1.07 H new ATOM 0 HG22 THR A 182 -12.977 -10.560 7.392 1.00 1.07 H new ATOM 0 HG23 THR A 182 -13.663 -9.555 6.094 1.00 1.07 H new ATOM 2812 N ALA A 183 -9.665 -9.989 8.094 1.00 0.45 N ATOM 2813 CA ALA A 183 -9.372 -10.274 9.529 1.00 0.44 C ATOM 2814 C ALA A 183 -9.159 -8.971 10.303 1.00 0.44 C ATOM 2815 O ALA A 183 -9.557 -8.837 11.444 1.00 0.50 O ATOM 2816 CB ALA A 183 -8.104 -11.126 9.621 1.00 0.46 C ATOM 0 H ALA A 183 -8.995 -10.377 7.429 1.00 0.45 H new ATOM 0 HA ALA A 183 -10.218 -10.807 9.963 1.00 0.44 H new ATOM 0 HB1 ALA A 183 -7.883 -11.338 10.667 1.00 0.46 H new ATOM 0 HB2 ALA A 183 -8.255 -12.063 9.085 1.00 0.46 H new ATOM 0 HB3 ALA A 183 -7.269 -10.584 9.177 1.00 0.46 H new ATOM 2822 N SER A 184 -8.516 -8.010 9.696 1.00 0.47 N ATOM 2823 CA SER A 184 -8.262 -6.722 10.397 1.00 0.51 C ATOM 2824 C SER A 184 -9.502 -5.830 10.330 1.00 0.54 C ATOM 2825 O SER A 184 -9.877 -5.184 11.288 1.00 0.56 O ATOM 2826 CB SER A 184 -7.092 -6.001 9.723 1.00 0.62 C ATOM 2827 OG SER A 184 -5.896 -6.740 9.937 1.00 1.55 O ATOM 0 H SER A 184 -8.156 -8.063 8.743 1.00 0.47 H new ATOM 0 HA SER A 184 -8.025 -6.928 11.441 1.00 0.51 H new ATOM 0 HB2 SER A 184 -7.282 -5.896 8.655 1.00 0.62 H new ATOM 0 HB3 SER A 184 -6.988 -4.995 10.129 1.00 0.62 H new ATOM 0 HG SER A 184 -5.245 -6.518 9.239 1.00 1.55 H new ATOM 2833 N LEU A 185 -10.143 -5.780 9.201 1.00 0.58 N ATOM 2834 CA LEU A 185 -11.345 -4.918 9.082 1.00 0.69 C ATOM 2835 C LEU A 185 -12.414 -5.381 10.078 1.00 0.69 C ATOM 2836 O LEU A 185 -13.241 -4.605 10.515 1.00 0.79 O ATOM 2837 CB LEU A 185 -11.885 -4.999 7.649 1.00 0.71 C ATOM 2838 CG LEU A 185 -13.112 -4.087 7.473 1.00 0.79 C ATOM 2839 CD1 LEU A 185 -12.780 -2.641 7.882 1.00 1.62 C ATOM 2840 CD2 LEU A 185 -13.533 -4.115 6.001 1.00 1.18 C ATOM 0 H LEU A 185 -9.888 -6.296 8.359 1.00 0.58 H new ATOM 0 HA LEU A 185 -11.081 -3.885 9.308 1.00 0.69 H new ATOM 0 HB2 LEU A 185 -11.106 -4.707 6.945 1.00 0.71 H new ATOM 0 HB3 LEU A 185 -12.156 -6.029 7.416 1.00 0.71 H new ATOM 0 HG LEU A 185 -13.920 -4.447 8.109 1.00 0.79 H new ATOM 0 HD11 LEU A 185 -13.662 -2.014 7.750 1.00 1.62 H new ATOM 0 HD12 LEU A 185 -12.474 -2.620 8.928 1.00 1.62 H new ATOM 0 HD13 LEU A 185 -11.969 -2.264 7.259 1.00 1.62 H new ATOM 0 HD21 LEU A 185 -14.402 -3.473 5.859 1.00 1.18 H new ATOM 0 HD22 LEU A 185 -12.712 -3.756 5.381 1.00 1.18 H new ATOM 0 HD23 LEU A 185 -13.785 -5.136 5.714 1.00 1.18 H new ATOM 2852 N THR A 186 -12.410 -6.647 10.433 1.00 0.62 N ATOM 2853 CA THR A 186 -13.436 -7.168 11.393 1.00 0.68 C ATOM 2854 C THR A 186 -12.884 -7.204 12.819 1.00 0.62 C ATOM 2855 O THR A 186 -13.628 -7.385 13.762 1.00 0.64 O ATOM 2856 CB THR A 186 -13.900 -8.564 10.959 1.00 0.73 C ATOM 2857 OG1 THR A 186 -14.881 -9.032 11.876 1.00 0.89 O ATOM 2858 CG2 THR A 186 -12.722 -9.551 10.924 1.00 1.00 C ATOM 0 H THR A 186 -11.741 -7.340 10.099 1.00 0.62 H new ATOM 0 HA THR A 186 -14.292 -6.493 11.383 1.00 0.68 H new ATOM 0 HB THR A 186 -14.320 -8.496 9.956 1.00 0.73 H new ATOM 0 HG1 THR A 186 -14.785 -8.558 12.728 1.00 0.89 H new ATOM 0 HG21 THR A 186 -13.079 -10.533 10.613 1.00 1.00 H new ATOM 0 HG22 THR A 186 -11.972 -9.197 10.217 1.00 1.00 H new ATOM 0 HG23 THR A 186 -12.279 -9.624 11.917 1.00 1.00 H new ATOM 2866 N ILE A 187 -11.598 -7.034 13.013 1.00 0.64 N ATOM 2867 CA ILE A 187 -11.081 -7.069 14.417 1.00 0.66 C ATOM 2868 C ILE A 187 -11.529 -5.767 15.089 1.00 0.66 C ATOM 2869 O ILE A 187 -11.744 -5.712 16.283 1.00 0.75 O ATOM 2870 CB ILE A 187 -9.545 -7.211 14.415 1.00 0.72 C ATOM 2871 CG1 ILE A 187 -9.081 -7.814 15.743 1.00 0.88 C ATOM 2872 CG2 ILE A 187 -8.872 -5.841 14.216 1.00 1.57 C ATOM 2873 CD1 ILE A 187 -7.551 -7.872 15.764 1.00 0.87 C ATOM 0 H ILE A 187 -10.902 -6.877 12.284 1.00 0.64 H new ATOM 0 HA ILE A 187 -11.473 -7.925 14.966 1.00 0.66 H new ATOM 0 HB ILE A 187 -9.261 -7.866 13.591 1.00 0.72 H new ATOM 0 HG12 ILE A 187 -9.445 -7.213 16.576 1.00 0.88 H new ATOM 0 HG13 ILE A 187 -9.496 -8.814 15.866 1.00 0.88 H new ATOM 0 HG21 ILE A 187 -7.789 -5.964 14.218 1.00 1.57 H new ATOM 0 HG22 ILE A 187 -9.187 -5.416 13.263 1.00 1.57 H new ATOM 0 HG23 ILE A 187 -9.162 -5.172 15.026 1.00 1.57 H new ATOM 0 HD11 ILE A 187 -7.216 -8.301 16.708 1.00 0.87 H new ATOM 0 HD12 ILE A 187 -7.199 -8.491 14.939 1.00 0.87 H new ATOM 0 HD13 ILE A 187 -7.147 -6.865 15.660 1.00 0.87 H new ATOM 2885 N TRP A 188 -11.655 -4.718 14.322 1.00 0.64 N ATOM 2886 CA TRP A 188 -12.076 -3.407 14.903 1.00 0.70 C ATOM 2887 C TRP A 188 -13.277 -3.623 15.836 1.00 0.81 C ATOM 2888 O TRP A 188 -13.168 -3.451 17.033 1.00 1.06 O ATOM 2889 CB TRP A 188 -12.459 -2.448 13.750 1.00 0.85 C ATOM 2890 CG TRP A 188 -11.895 -1.083 14.001 1.00 0.92 C ATOM 2891 CD1 TRP A 188 -10.804 -0.572 13.388 1.00 1.76 C ATOM 2892 CD2 TRP A 188 -12.366 -0.058 14.922 1.00 1.04 C ATOM 2893 NE1 TRP A 188 -10.575 0.702 13.872 1.00 2.01 N ATOM 2894 CE2 TRP A 188 -11.511 1.065 14.820 1.00 1.34 C ATOM 2895 CE3 TRP A 188 -13.441 0.007 15.826 1.00 1.79 C ATOM 2896 CZ2 TRP A 188 -11.715 2.212 15.588 1.00 1.47 C ATOM 2897 CZ3 TRP A 188 -13.650 1.160 16.601 1.00 2.17 C ATOM 2898 CH2 TRP A 188 -12.788 2.260 16.482 1.00 1.71 C ATOM 0 H TRP A 188 -11.485 -4.711 13.316 1.00 0.64 H new ATOM 0 HA TRP A 188 -11.259 -2.972 15.478 1.00 0.70 H new ATOM 0 HB2 TRP A 188 -12.082 -2.837 12.804 1.00 0.85 H new ATOM 0 HB3 TRP A 188 -13.544 -2.390 13.661 1.00 0.85 H new ATOM 0 HD1 TRP A 188 -10.208 -1.077 12.642 1.00 1.76 H new ATOM 0 HE1 TRP A 188 -9.808 1.301 13.566 1.00 2.01 H new ATOM 0 HE3 TRP A 188 -14.110 -0.835 15.925 1.00 1.79 H new ATOM 0 HZ2 TRP A 188 -11.049 3.056 15.492 1.00 1.47 H new ATOM 0 HZ3 TRP A 188 -14.479 1.200 17.292 1.00 2.17 H new ATOM 0 HH2 TRP A 188 -12.953 3.143 17.081 1.00 1.71 H new