USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=35 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 126 CYS SG : rot -71:sc= -0.493! USER MOD Set 1.2: A 127 THR OG1 : rot 79:sc= -1.2! USER MOD Set 2.1: A 28 GLN :FLIP amide:sc= -1.35 F(o=-2.4!,f=-1.6) USER MOD Set 2.2: A 137 MET CE :methyl 151:sc= -0.301 (180deg=-0.155) USER MOD Set 3.1: A 15 SER OG : rot -48:sc= -0.0559 USER MOD Set 3.2: A 18 GLN :FLIP amide:sc= 0.709 F(o=-1.4,f=0.65) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 167:sc= 0 (180deg=-0.0973) USER MOD Single : A 21 LYS NZ :NH3+ 162:sc=-0.00621 (180deg=-0.405) USER MOD Single : A 22 THR OG1 : rot 83:sc= 0.38 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 57 LYS NZ :NH3+ 165:sc=-0.00585 (180deg=-0.262) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= -0.0483 (180deg=-0.655) USER MOD Single : A 60 SER OG : rot -147:sc= 0.0992 USER MOD Single : A 62 CYS SG : rot 165:sc= 0.661 USER MOD Single : A 64 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.31) USER MOD Single : A 72 SER OG : rot 88:sc= 0.426 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.821 F(o=-6.2!,f=-0.82) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -4.11! C(o=-4.1!,f=-5.9!) USER MOD Single : A 79 MET CE :methyl 158:sc= -0.581 (180deg=-1.36) USER MOD Single : A 99 MET CE :methyl 173:sc= 0 (180deg=-0.011) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -45:sc= 0.546 USER MOD Single : A 119 LYS NZ :NH3+ 149:sc= -2.04 (180deg=-4.58!) USER MOD Single : A 123 LYS NZ :NH3+ -124:sc= -0.0653 (180deg=-0.445) USER MOD Single : A 128 LYS NZ :NH3+ -156:sc= -0.045 (180deg=-0.478) USER MOD Single : A 135 THR OG1 : rot 98:sc= 1.32 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= -2.6 K(o=-2.6,f=-3.7!) USER MOD Single : A 155 GLN : amide:sc= -0.412 K(o=-0.41,f=-3!) USER MOD Single : A 163 SER OG : rot 71:sc= 1.19 USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 THR OG1 : rot -27:sc= 0.46 USER MOD Single : A 182 THR OG1 : rot -85:sc= 0.612 USER MOD Single : A 184 SER OG : rot -60:sc= 1.08 USER MOD Single : A 186 THR OG1 : rot -22:sc= 0.577 USER MOD ----------------------------------------------------------------- ATOM 176 N SER A 15 19.503 5.184 -3.585 1.00 1.07 N ATOM 177 CA SER A 15 19.148 6.291 -2.645 1.00 0.91 C ATOM 178 C SER A 15 17.757 6.049 -2.050 1.00 0.75 C ATOM 179 O SER A 15 16.796 5.832 -2.758 1.00 0.78 O ATOM 180 CB SER A 15 19.137 7.611 -3.418 1.00 0.99 C ATOM 181 OG SER A 15 17.876 7.768 -4.051 1.00 1.38 O ATOM 0 HA SER A 15 19.881 6.329 -1.839 1.00 0.91 H new ATOM 0 HB2 SER A 15 19.324 8.445 -2.741 1.00 0.99 H new ATOM 0 HB3 SER A 15 19.934 7.618 -4.161 1.00 0.99 H new ATOM 0 HG SER A 15 17.642 6.942 -4.524 1.00 1.38 H new ATOM 187 N SER A 16 17.645 6.088 -0.752 1.00 0.72 N ATOM 188 CA SER A 16 16.320 5.863 -0.105 1.00 0.82 C ATOM 189 C SER A 16 15.302 6.877 -0.638 1.00 0.81 C ATOM 190 O SER A 16 14.133 6.572 -0.809 1.00 0.92 O ATOM 191 CB SER A 16 16.465 6.048 1.406 1.00 1.06 C ATOM 192 OG SER A 16 15.187 5.937 2.019 1.00 1.64 O ATOM 0 H SER A 16 18.416 6.266 -0.108 1.00 0.72 H new ATOM 0 HA SER A 16 15.975 4.853 -0.328 1.00 0.82 H new ATOM 0 HB2 SER A 16 17.142 5.297 1.812 1.00 1.06 H new ATOM 0 HB3 SER A 16 16.902 7.022 1.624 1.00 1.06 H new ATOM 0 HG SER A 16 15.278 6.054 2.988 1.00 1.64 H new ATOM 198 N GLU A 17 15.724 8.082 -0.897 1.00 0.80 N ATOM 199 CA GLU A 17 14.764 9.098 -1.406 1.00 0.94 C ATOM 200 C GLU A 17 14.166 8.634 -2.735 1.00 0.85 C ATOM 201 O GLU A 17 13.057 8.985 -3.066 1.00 0.89 O ATOM 202 CB GLU A 17 15.455 10.450 -1.580 1.00 1.13 C ATOM 203 CG GLU A 17 16.614 10.303 -2.567 1.00 1.71 C ATOM 204 CD GLU A 17 17.389 11.618 -2.649 1.00 2.26 C ATOM 205 OE1 GLU A 17 16.752 12.652 -2.769 1.00 2.68 O ATOM 206 OE2 GLU A 17 18.606 11.570 -2.591 1.00 2.90 O ATOM 0 H GLU A 17 16.684 8.405 -0.779 1.00 0.80 H new ATOM 0 HA GLU A 17 13.961 9.214 -0.678 1.00 0.94 H new ATOM 0 HB2 GLU A 17 14.743 11.191 -1.945 1.00 1.13 H new ATOM 0 HB3 GLU A 17 15.824 10.809 -0.619 1.00 1.13 H new ATOM 0 HG2 GLU A 17 17.276 9.498 -2.248 1.00 1.71 H new ATOM 0 HG3 GLU A 17 16.234 10.031 -3.552 1.00 1.71 H new ATOM 213 N GLN A 18 14.851 7.828 -3.493 1.00 0.80 N ATOM 214 CA GLN A 18 14.235 7.361 -4.765 1.00 0.83 C ATOM 215 C GLN A 18 13.005 6.508 -4.417 1.00 0.68 C ATOM 216 O GLN A 18 12.071 6.405 -5.188 1.00 0.69 O ATOM 217 CB GLN A 18 15.246 6.528 -5.572 1.00 0.96 C ATOM 218 CG GLN A 18 16.127 7.454 -6.420 1.00 1.53 C ATOM 219 CD GLN A 18 17.360 6.687 -6.904 1.00 2.23 C ATOM 220 OE1 GLN A 18 18.121 6.084 -6.032 1.00 2.69 O flip ATOM 221 NE2 GLN A 18 17.632 6.636 -8.086 1.00 3.07 N flip ATOM 0 H GLN A 18 15.789 7.478 -3.295 1.00 0.80 H new ATOM 0 HA GLN A 18 13.939 8.216 -5.373 1.00 0.83 H new ATOM 0 HB2 GLN A 18 15.867 5.939 -4.897 1.00 0.96 H new ATOM 0 HB3 GLN A 18 14.719 5.824 -6.215 1.00 0.96 H new ATOM 0 HG2 GLN A 18 15.562 7.830 -7.273 1.00 1.53 H new ATOM 0 HG3 GLN A 18 16.432 8.320 -5.833 1.00 1.53 H new ATOM 0 HE21 GLN A 18 17.037 7.107 -8.767 1.00 3.07 H new ATOM 0 HE22 GLN A 18 18.456 6.122 -8.398 1.00 3.07 H new ATOM 230 N ILE A 19 12.994 5.911 -3.251 1.00 0.59 N ATOM 231 CA ILE A 19 11.820 5.082 -2.840 1.00 0.58 C ATOM 232 C ILE A 19 10.622 6.001 -2.604 1.00 0.52 C ATOM 233 O ILE A 19 9.522 5.742 -3.052 1.00 0.59 O ATOM 234 CB ILE A 19 12.149 4.307 -1.566 1.00 0.64 C ATOM 235 CG1 ILE A 19 13.406 3.465 -1.796 1.00 0.74 C ATOM 236 CG2 ILE A 19 10.979 3.389 -1.210 1.00 0.73 C ATOM 237 CD1 ILE A 19 13.860 2.848 -0.472 1.00 0.81 C ATOM 0 H ILE A 19 13.748 5.962 -2.566 1.00 0.59 H new ATOM 0 HA ILE A 19 11.581 4.367 -3.627 1.00 0.58 H new ATOM 0 HB ILE A 19 12.322 5.007 -0.748 1.00 0.64 H new ATOM 0 HG12 ILE A 19 13.202 2.680 -2.524 1.00 0.74 H new ATOM 0 HG13 ILE A 19 14.200 4.085 -2.211 1.00 0.74 H new ATOM 0 HG21 ILE A 19 11.214 2.836 -0.301 1.00 0.73 H new ATOM 0 HG22 ILE A 19 10.083 3.988 -1.049 1.00 0.73 H new ATOM 0 HG23 ILE A 19 10.805 2.688 -2.026 1.00 0.73 H new ATOM 0 HD11 ILE A 19 14.755 2.249 -0.638 1.00 0.81 H new ATOM 0 HD12 ILE A 19 14.081 3.641 0.242 1.00 0.81 H new ATOM 0 HD13 ILE A 19 13.067 2.214 -0.075 1.00 0.81 H new ATOM 249 N MET A 20 10.842 7.096 -1.936 1.00 0.51 N ATOM 250 CA MET A 20 9.761 8.089 -1.683 1.00 0.60 C ATOM 251 C MET A 20 9.086 8.530 -2.986 1.00 0.55 C ATOM 252 O MET A 20 7.876 8.565 -3.101 1.00 0.59 O ATOM 253 CB MET A 20 10.452 9.309 -1.057 1.00 0.82 C ATOM 254 CG MET A 20 10.919 8.960 0.392 1.00 1.07 C ATOM 255 SD MET A 20 10.112 10.032 1.616 1.00 1.43 S ATOM 256 CE MET A 20 8.392 9.491 1.407 1.00 0.93 C ATOM 0 H MET A 20 11.749 7.352 -1.545 1.00 0.51 H new ATOM 0 HA MET A 20 8.993 7.655 -1.043 1.00 0.60 H new ATOM 0 HB2 MET A 20 11.307 9.606 -1.664 1.00 0.82 H new ATOM 0 HB3 MET A 20 9.767 10.156 -1.035 1.00 0.82 H new ATOM 0 HG2 MET A 20 10.689 7.917 0.610 1.00 1.07 H new ATOM 0 HG3 MET A 20 12.001 9.070 0.465 1.00 1.07 H new ATOM 0 HE1 MET A 20 7.788 9.871 2.231 1.00 0.93 H new ATOM 0 HE2 MET A 20 8.002 9.875 0.464 1.00 0.93 H new ATOM 0 HE3 MET A 20 8.352 8.402 1.400 1.00 0.93 H new ATOM 266 N LYS A 21 9.883 8.865 -3.974 1.00 0.57 N ATOM 267 CA LYS A 21 9.341 9.309 -5.295 1.00 0.61 C ATOM 268 C LYS A 21 8.651 8.142 -6.006 1.00 0.53 C ATOM 269 O LYS A 21 7.546 8.273 -6.496 1.00 0.51 O ATOM 270 CB LYS A 21 10.501 9.815 -6.173 1.00 0.72 C ATOM 271 CG LYS A 21 10.797 11.286 -5.865 1.00 1.09 C ATOM 272 CD LYS A 21 11.154 11.444 -4.384 1.00 1.24 C ATOM 273 CE LYS A 21 11.875 12.775 -4.170 1.00 1.80 C ATOM 274 NZ LYS A 21 11.050 13.880 -4.734 1.00 2.40 N ATOM 0 H LYS A 21 10.901 8.849 -3.918 1.00 0.57 H new ATOM 0 HA LYS A 21 8.616 10.106 -5.130 1.00 0.61 H new ATOM 0 HB2 LYS A 21 11.391 9.212 -5.994 1.00 0.72 H new ATOM 0 HB3 LYS A 21 10.245 9.701 -7.226 1.00 0.72 H new ATOM 0 HG2 LYS A 21 11.620 11.639 -6.487 1.00 1.09 H new ATOM 0 HG3 LYS A 21 9.929 11.900 -6.107 1.00 1.09 H new ATOM 0 HD2 LYS A 21 10.250 11.406 -3.776 1.00 1.24 H new ATOM 0 HD3 LYS A 21 11.789 10.619 -4.063 1.00 1.24 H new ATOM 0 HE2 LYS A 21 12.047 12.941 -3.107 1.00 1.80 H new ATOM 0 HE3 LYS A 21 12.852 12.753 -4.652 1.00 1.80 H new ATOM 0 HZ1 LYS A 21 11.366 14.787 -4.336 1.00 2.40 H new ATOM 0 HZ2 LYS A 21 11.157 13.900 -5.768 1.00 2.40 H new ATOM 0 HZ3 LYS A 21 10.050 13.725 -4.492 1.00 2.40 H new ATOM 288 N THR A 22 9.278 7.002 -6.076 1.00 0.53 N ATOM 289 CA THR A 22 8.633 5.857 -6.768 1.00 0.52 C ATOM 290 C THR A 22 7.374 5.454 -6.010 1.00 0.45 C ATOM 291 O THR A 22 6.346 5.202 -6.594 1.00 0.48 O ATOM 292 CB THR A 22 9.607 4.675 -6.806 1.00 0.55 C ATOM 293 OG1 THR A 22 10.775 5.051 -7.523 1.00 0.64 O ATOM 294 CG2 THR A 22 8.945 3.481 -7.499 1.00 0.62 C ATOM 0 H THR A 22 10.202 6.816 -5.687 1.00 0.53 H new ATOM 0 HA THR A 22 8.369 6.144 -7.786 1.00 0.52 H new ATOM 0 HB THR A 22 9.876 4.395 -5.787 1.00 0.55 H new ATOM 0 HG1 THR A 22 11.382 5.538 -6.927 1.00 0.64 H new ATOM 0 HG21 THR A 22 9.641 2.643 -7.524 1.00 0.62 H new ATOM 0 HG22 THR A 22 8.049 3.192 -6.950 1.00 0.62 H new ATOM 0 HG23 THR A 22 8.673 3.757 -8.518 1.00 0.62 H new ATOM 302 N GLY A 23 7.448 5.408 -4.711 1.00 0.42 N ATOM 303 CA GLY A 23 6.257 5.027 -3.903 1.00 0.43 C ATOM 304 C GLY A 23 5.091 5.969 -4.204 1.00 0.41 C ATOM 305 O GLY A 23 4.002 5.534 -4.522 1.00 0.47 O ATOM 0 H GLY A 23 8.287 5.619 -4.170 1.00 0.42 H new ATOM 0 HA2 GLY A 23 5.971 3.999 -4.126 1.00 0.43 H new ATOM 0 HA3 GLY A 23 6.501 5.066 -2.841 1.00 0.43 H new ATOM 309 N ALA A 24 5.299 7.254 -4.111 1.00 0.40 N ATOM 310 CA ALA A 24 4.191 8.207 -4.397 1.00 0.41 C ATOM 311 C ALA A 24 3.693 8.021 -5.833 1.00 0.41 C ATOM 312 O ALA A 24 2.625 8.479 -6.188 1.00 0.41 O ATOM 313 CB ALA A 24 4.701 9.639 -4.222 1.00 0.42 C ATOM 0 H ALA A 24 6.186 7.684 -3.850 1.00 0.40 H new ATOM 0 HA ALA A 24 3.369 8.016 -3.707 1.00 0.41 H new ATOM 0 HB1 ALA A 24 3.893 10.341 -4.430 1.00 0.42 H new ATOM 0 HB2 ALA A 24 5.048 9.779 -3.198 1.00 0.42 H new ATOM 0 HB3 ALA A 24 5.525 9.819 -4.913 1.00 0.42 H new ATOM 319 N LEU A 25 4.451 7.353 -6.668 1.00 0.42 N ATOM 320 CA LEU A 25 3.989 7.156 -8.079 1.00 0.44 C ATOM 321 C LEU A 25 3.075 5.926 -8.130 1.00 0.44 C ATOM 322 O LEU A 25 1.981 5.979 -8.655 1.00 0.46 O ATOM 323 CB LEU A 25 5.204 6.972 -9.016 1.00 0.47 C ATOM 324 CG LEU A 25 5.596 8.301 -9.700 1.00 0.77 C ATOM 325 CD1 LEU A 25 4.652 8.591 -10.879 1.00 1.58 C ATOM 326 CD2 LEU A 25 5.553 9.474 -8.694 1.00 1.67 C ATOM 0 H LEU A 25 5.356 6.941 -6.440 1.00 0.42 H new ATOM 0 HA LEU A 25 3.435 8.033 -8.415 1.00 0.44 H new ATOM 0 HB2 LEU A 25 6.051 6.591 -8.445 1.00 0.47 H new ATOM 0 HB3 LEU A 25 4.970 6.226 -9.775 1.00 0.47 H new ATOM 0 HG LEU A 25 6.616 8.202 -10.072 1.00 0.77 H new ATOM 0 HD11 LEU A 25 4.939 9.530 -11.352 1.00 1.58 H new ATOM 0 HD12 LEU A 25 4.720 7.782 -11.607 1.00 1.58 H new ATOM 0 HD13 LEU A 25 3.627 8.667 -10.515 1.00 1.58 H new ATOM 0 HD21 LEU A 25 5.833 10.398 -9.200 1.00 1.67 H new ATOM 0 HD22 LEU A 25 4.545 9.572 -8.292 1.00 1.67 H new ATOM 0 HD23 LEU A 25 6.251 9.281 -7.880 1.00 1.67 H new ATOM 338 N LEU A 26 3.528 4.812 -7.615 1.00 0.45 N ATOM 339 CA LEU A 26 2.692 3.578 -7.667 1.00 0.47 C ATOM 340 C LEU A 26 1.267 3.891 -7.225 1.00 0.49 C ATOM 341 O LEU A 26 0.318 3.550 -7.902 1.00 0.52 O ATOM 342 CB LEU A 26 3.271 2.487 -6.757 1.00 0.51 C ATOM 343 CG LEU A 26 4.776 2.341 -6.991 1.00 0.69 C ATOM 344 CD1 LEU A 26 5.292 1.108 -6.245 1.00 1.17 C ATOM 345 CD2 LEU A 26 5.057 2.193 -8.491 1.00 1.35 C ATOM 0 H LEU A 26 4.436 4.705 -7.163 1.00 0.45 H new ATOM 0 HA LEU A 26 2.688 3.218 -8.696 1.00 0.47 H new ATOM 0 HB2 LEU A 26 3.081 2.737 -5.713 1.00 0.51 H new ATOM 0 HB3 LEU A 26 2.772 1.538 -6.953 1.00 0.51 H new ATOM 0 HG LEU A 26 5.286 3.229 -6.619 1.00 0.69 H new ATOM 0 HD11 LEU A 26 6.364 1.004 -6.412 1.00 1.17 H new ATOM 0 HD12 LEU A 26 5.100 1.222 -5.178 1.00 1.17 H new ATOM 0 HD13 LEU A 26 4.780 0.219 -6.613 1.00 1.17 H new ATOM 0 HD21 LEU A 26 6.130 2.089 -8.652 1.00 1.35 H new ATOM 0 HD22 LEU A 26 4.546 1.308 -8.871 1.00 1.35 H new ATOM 0 HD23 LEU A 26 4.695 3.076 -9.018 1.00 1.35 H new ATOM 357 N LEU A 27 1.086 4.504 -6.087 1.00 0.50 N ATOM 358 CA LEU A 27 -0.311 4.772 -5.646 1.00 0.56 C ATOM 359 C LEU A 27 -0.946 5.782 -6.610 1.00 0.56 C ATOM 360 O LEU A 27 -1.992 5.530 -7.175 1.00 0.60 O ATOM 361 CB LEU A 27 -0.317 5.284 -4.200 1.00 0.64 C ATOM 362 CG LEU A 27 -1.756 5.384 -3.662 1.00 0.95 C ATOM 363 CD1 LEU A 27 -2.198 4.028 -3.101 1.00 1.66 C ATOM 364 CD2 LEU A 27 -1.815 6.430 -2.542 1.00 1.42 C ATOM 0 H LEU A 27 1.823 4.823 -5.459 1.00 0.50 H new ATOM 0 HA LEU A 27 -0.899 3.854 -5.666 1.00 0.56 H new ATOM 0 HB2 LEU A 27 0.266 4.613 -3.569 1.00 0.64 H new ATOM 0 HB3 LEU A 27 0.162 6.262 -4.154 1.00 0.64 H new ATOM 0 HG LEU A 27 -2.419 5.676 -4.477 1.00 0.95 H new ATOM 0 HD11 LEU A 27 -3.217 4.106 -2.722 1.00 1.66 H new ATOM 0 HD12 LEU A 27 -2.161 3.278 -3.891 1.00 1.66 H new ATOM 0 HD13 LEU A 27 -1.531 3.735 -2.290 1.00 1.66 H new ATOM 0 HD21 LEU A 27 -2.834 6.499 -2.162 1.00 1.42 H new ATOM 0 HD22 LEU A 27 -1.146 6.135 -1.733 1.00 1.42 H new ATOM 0 HD23 LEU A 27 -1.507 7.400 -2.933 1.00 1.42 H new ATOM 376 N GLN A 28 -0.335 6.917 -6.813 1.00 0.55 N ATOM 377 CA GLN A 28 -0.927 7.918 -7.750 1.00 0.58 C ATOM 378 C GLN A 28 -1.256 7.248 -9.091 1.00 0.54 C ATOM 379 O GLN A 28 -2.299 7.477 -9.670 1.00 0.58 O ATOM 380 CB GLN A 28 0.088 9.049 -7.981 1.00 0.60 C ATOM 381 CG GLN A 28 -0.354 9.944 -9.152 1.00 1.00 C ATOM 382 CD GLN A 28 -1.831 10.318 -9.000 1.00 1.40 C ATOM 383 OE1 GLN A 28 -2.688 9.933 -9.907 1.00 2.09 O flip ATOM 384 NE2 GLN A 28 -2.210 10.969 -8.049 1.00 1.91 N flip ATOM 0 H GLN A 28 0.543 7.195 -6.375 1.00 0.55 H new ATOM 0 HA GLN A 28 -1.843 8.321 -7.319 1.00 0.58 H new ATOM 0 HB2 GLN A 28 0.185 9.648 -7.075 1.00 0.60 H new ATOM 0 HB3 GLN A 28 1.070 8.626 -8.191 1.00 0.60 H new ATOM 0 HG2 GLN A 28 0.257 10.846 -9.181 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -0.198 9.423 -10.097 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -1.543 11.271 -7.339 1.00 1.91 H new ATOM 0 HE22 GLN A 28 -3.196 11.214 -7.959 1.00 1.91 H new ATOM 393 N GLY A 29 -0.364 6.439 -9.598 1.00 0.50 N ATOM 394 CA GLY A 29 -0.614 5.774 -10.909 1.00 0.48 C ATOM 395 C GLY A 29 -1.763 4.778 -10.780 1.00 0.44 C ATOM 396 O GLY A 29 -2.704 4.799 -11.548 1.00 0.50 O ATOM 0 H GLY A 29 0.528 6.210 -9.160 1.00 0.50 H new ATOM 0 HA2 GLY A 29 -0.853 6.522 -11.665 1.00 0.48 H new ATOM 0 HA3 GLY A 29 0.287 5.260 -11.243 1.00 0.48 H new ATOM 400 N PHE A 30 -1.697 3.901 -9.818 1.00 0.44 N ATOM 401 CA PHE A 30 -2.790 2.906 -9.652 1.00 0.43 C ATOM 402 C PHE A 30 -4.111 3.639 -9.428 1.00 0.40 C ATOM 403 O PHE A 30 -5.171 3.092 -9.662 1.00 0.43 O ATOM 404 CB PHE A 30 -2.488 1.995 -8.457 1.00 0.47 C ATOM 405 CG PHE A 30 -3.695 1.131 -8.153 1.00 0.47 C ATOM 406 CD1 PHE A 30 -4.147 0.204 -9.101 1.00 1.39 C ATOM 407 CD2 PHE A 30 -4.364 1.256 -6.926 1.00 1.20 C ATOM 408 CE1 PHE A 30 -5.263 -0.595 -8.824 1.00 1.42 C ATOM 409 CE2 PHE A 30 -5.480 0.456 -6.650 1.00 1.21 C ATOM 410 CZ PHE A 30 -5.929 -0.469 -7.599 1.00 0.58 C ATOM 0 H PHE A 30 -0.936 3.831 -9.142 1.00 0.44 H new ATOM 0 HA PHE A 30 -2.864 2.294 -10.551 1.00 0.43 H new ATOM 0 HB2 PHE A 30 -1.625 1.366 -8.676 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -2.231 2.597 -7.585 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -3.634 0.106 -10.046 1.00 1.39 H new ATOM 0 HD2 PHE A 30 -4.018 1.970 -6.193 1.00 1.20 H new ATOM 0 HE1 PHE A 30 -5.610 -1.309 -9.556 1.00 1.42 H new ATOM 0 HE2 PHE A 30 -5.994 0.553 -5.705 1.00 1.21 H new ATOM 0 HZ PHE A 30 -6.790 -1.086 -7.386 1.00 0.58 H new ATOM 420 N ILE A 31 -4.078 4.873 -9.000 1.00 0.40 N ATOM 421 CA ILE A 31 -5.358 5.608 -8.801 1.00 0.40 C ATOM 422 C ILE A 31 -5.830 6.111 -10.171 1.00 0.40 C ATOM 423 O ILE A 31 -6.946 5.862 -10.581 1.00 0.43 O ATOM 424 CB ILE A 31 -5.136 6.783 -7.832 1.00 0.41 C ATOM 425 CG1 ILE A 31 -4.995 6.244 -6.403 1.00 0.53 C ATOM 426 CG2 ILE A 31 -6.322 7.751 -7.894 1.00 0.72 C ATOM 427 CD1 ILE A 31 -4.418 7.334 -5.494 1.00 0.48 C ATOM 0 H ILE A 31 -3.231 5.397 -8.782 1.00 0.40 H new ATOM 0 HA ILE A 31 -6.117 4.956 -8.368 1.00 0.40 H new ATOM 0 HB ILE A 31 -4.228 7.314 -8.119 1.00 0.41 H new ATOM 0 HG12 ILE A 31 -5.966 5.921 -6.028 1.00 0.53 H new ATOM 0 HG13 ILE A 31 -4.344 5.370 -6.396 1.00 0.53 H new ATOM 0 HG21 ILE A 31 -6.153 8.578 -7.204 1.00 0.72 H new ATOM 0 HG22 ILE A 31 -6.422 8.139 -8.908 1.00 0.72 H new ATOM 0 HG23 ILE A 31 -7.235 7.226 -7.614 1.00 0.72 H new ATOM 0 HD11 ILE A 31 -4.319 6.947 -4.480 1.00 0.48 H new ATOM 0 HD12 ILE A 31 -3.438 7.636 -5.864 1.00 0.48 H new ATOM 0 HD13 ILE A 31 -5.085 8.196 -5.490 1.00 0.48 H new ATOM 439 N GLN A 32 -4.993 6.818 -10.880 1.00 0.42 N ATOM 440 CA GLN A 32 -5.396 7.340 -12.218 1.00 0.47 C ATOM 441 C GLN A 32 -5.962 6.209 -13.092 1.00 0.50 C ATOM 442 O GLN A 32 -7.022 6.335 -13.671 1.00 0.61 O ATOM 443 CB GLN A 32 -4.176 7.951 -12.911 1.00 0.57 C ATOM 444 CG GLN A 32 -4.625 8.694 -14.170 1.00 1.19 C ATOM 445 CD GLN A 32 -3.409 9.324 -14.851 1.00 1.59 C ATOM 446 OE1 GLN A 32 -2.344 8.739 -14.881 1.00 2.16 O ATOM 447 NE2 GLN A 32 -3.522 10.500 -15.404 1.00 2.21 N ATOM 0 H GLN A 32 -4.045 7.058 -10.590 1.00 0.42 H new ATOM 0 HA GLN A 32 -6.168 8.098 -12.081 1.00 0.47 H new ATOM 0 HB2 GLN A 32 -3.665 8.636 -12.234 1.00 0.57 H new ATOM 0 HB3 GLN A 32 -3.463 7.169 -13.172 1.00 0.57 H new ATOM 0 HG2 GLN A 32 -5.122 8.006 -14.854 1.00 1.19 H new ATOM 0 HG3 GLN A 32 -5.350 9.465 -13.911 1.00 1.19 H new ATOM 0 HE21 GLN A 32 -4.415 10.991 -15.379 1.00 2.21 H new ATOM 0 HE22 GLN A 32 -2.717 10.928 -15.861 1.00 2.21 H new ATOM 456 N ASP A 33 -5.254 5.112 -13.204 1.00 0.49 N ATOM 457 CA ASP A 33 -5.739 3.981 -14.054 1.00 0.58 C ATOM 458 C ASP A 33 -7.060 3.436 -13.508 1.00 0.61 C ATOM 459 O ASP A 33 -7.988 3.169 -14.246 1.00 0.70 O ATOM 460 CB ASP A 33 -4.694 2.863 -14.046 1.00 0.61 C ATOM 461 CG ASP A 33 -3.357 3.411 -14.549 1.00 1.10 C ATOM 462 OD1 ASP A 33 -3.372 4.427 -15.224 1.00 1.89 O ATOM 463 OD2 ASP A 33 -2.341 2.805 -14.250 1.00 1.78 O ATOM 0 H ASP A 33 -4.359 4.951 -12.742 1.00 0.49 H new ATOM 0 HA ASP A 33 -5.896 4.342 -15.070 1.00 0.58 H new ATOM 0 HB2 ASP A 33 -4.580 2.465 -13.038 1.00 0.61 H new ATOM 0 HB3 ASP A 33 -5.023 2.039 -14.679 1.00 0.61 H new ATOM 468 N ARG A 34 -7.151 3.275 -12.220 1.00 0.58 N ATOM 469 CA ARG A 34 -8.407 2.756 -11.610 1.00 0.71 C ATOM 470 C ARG A 34 -9.541 3.761 -11.807 1.00 0.65 C ATOM 471 O ARG A 34 -10.703 3.424 -11.696 1.00 0.85 O ATOM 472 CB ARG A 34 -8.191 2.554 -10.107 1.00 0.85 C ATOM 473 CG ARG A 34 -9.374 1.770 -9.531 1.00 1.25 C ATOM 474 CD ARG A 34 -9.146 1.494 -8.045 1.00 1.31 C ATOM 475 NE ARG A 34 -10.382 0.894 -7.466 1.00 1.58 N ATOM 476 CZ ARG A 34 -10.341 0.305 -6.303 1.00 2.09 C ATOM 477 NH1 ARG A 34 -9.218 0.244 -5.642 1.00 2.58 N ATOM 478 NH2 ARG A 34 -11.424 -0.222 -5.800 1.00 2.75 N ATOM 0 H ARG A 34 -6.404 3.482 -11.557 1.00 0.58 H new ATOM 0 HA ARG A 34 -8.668 1.812 -12.088 1.00 0.71 H new ATOM 0 HB2 ARG A 34 -7.261 2.014 -9.930 1.00 0.85 H new ATOM 0 HB3 ARG A 34 -8.100 3.518 -9.607 1.00 0.85 H new ATOM 0 HG2 ARG A 34 -10.296 2.335 -9.667 1.00 1.25 H new ATOM 0 HG3 ARG A 34 -9.494 0.830 -10.069 1.00 1.25 H new ATOM 0 HD2 ARG A 34 -8.302 0.817 -7.913 1.00 1.31 H new ATOM 0 HD3 ARG A 34 -8.897 2.419 -7.524 1.00 1.31 H new ATOM 0 HE ARG A 34 -11.261 0.944 -7.980 1.00 1.58 H new ATOM 0 HH11 ARG A 34 -8.372 0.657 -6.035 1.00 2.58 H new ATOM 0 HH12 ARG A 34 -9.186 -0.217 -4.732 1.00 2.58 H new ATOM 0 HH21 ARG A 34 -12.302 -0.173 -6.316 1.00 2.75 H new ATOM 0 HH22 ARG A 34 -11.392 -0.683 -4.891 1.00 2.75 H new ATOM 492 N ALA A 35 -9.223 4.999 -12.076 1.00 0.59 N ATOM 493 CA ALA A 35 -10.300 6.020 -12.248 1.00 0.66 C ATOM 494 C ALA A 35 -10.861 5.988 -13.673 1.00 0.80 C ATOM 495 O ALA A 35 -12.024 6.259 -13.893 1.00 0.88 O ATOM 496 CB ALA A 35 -9.741 7.410 -11.947 1.00 0.94 C ATOM 0 H ALA A 35 -8.270 5.347 -12.184 1.00 0.59 H new ATOM 0 HA ALA A 35 -11.109 5.790 -11.554 1.00 0.66 H new ATOM 0 HB1 ALA A 35 -10.528 8.154 -12.073 1.00 0.94 H new ATOM 0 HB2 ALA A 35 -9.374 7.440 -10.921 1.00 0.94 H new ATOM 0 HB3 ALA A 35 -8.922 7.629 -12.632 1.00 0.94 H new ATOM 751 N ALA A 54 9.147 4.367 -16.659 1.00 0.91 N ATOM 752 CA ALA A 54 9.033 2.945 -17.106 1.00 0.84 C ATOM 753 C ALA A 54 9.013 2.019 -15.887 1.00 0.76 C ATOM 754 O ALA A 54 8.281 1.049 -15.843 1.00 0.75 O ATOM 755 CB ALA A 54 10.226 2.588 -17.996 1.00 0.95 C ATOM 0 HA ALA A 54 8.108 2.821 -17.670 1.00 0.84 H new ATOM 0 HB1 ALA A 54 10.140 1.551 -18.320 1.00 0.95 H new ATOM 0 HB2 ALA A 54 10.238 3.241 -18.868 1.00 0.95 H new ATOM 0 HB3 ALA A 54 11.151 2.717 -17.434 1.00 0.95 H new ATOM 761 N SER A 55 9.793 2.323 -14.890 1.00 0.75 N ATOM 762 CA SER A 55 9.808 1.482 -13.660 1.00 0.71 C ATOM 763 C SER A 55 8.434 1.535 -12.994 1.00 0.66 C ATOM 764 O SER A 55 7.941 0.549 -12.481 1.00 0.66 O ATOM 765 CB SER A 55 10.847 2.045 -12.689 1.00 0.76 C ATOM 766 OG SER A 55 10.863 1.252 -11.509 1.00 1.37 O ATOM 0 H SER A 55 10.426 3.123 -14.873 1.00 0.75 H new ATOM 0 HA SER A 55 10.053 0.452 -13.921 1.00 0.71 H new ATOM 0 HB2 SER A 55 11.833 2.047 -13.154 1.00 0.76 H new ATOM 0 HB3 SER A 55 10.609 3.080 -12.443 1.00 0.76 H new ATOM 0 HG SER A 55 11.529 1.608 -10.884 1.00 1.37 H new ATOM 772 N THR A 56 7.825 2.690 -12.971 1.00 0.65 N ATOM 773 CA THR A 56 6.499 2.822 -12.305 1.00 0.62 C ATOM 774 C THR A 56 5.376 2.309 -13.209 1.00 0.59 C ATOM 775 O THR A 56 4.310 1.966 -12.738 1.00 0.57 O ATOM 776 CB THR A 56 6.239 4.295 -11.991 1.00 0.67 C ATOM 777 OG1 THR A 56 6.538 5.080 -13.138 1.00 1.09 O ATOM 778 CG2 THR A 56 7.112 4.748 -10.825 1.00 1.06 C ATOM 0 H THR A 56 8.189 3.548 -13.385 1.00 0.65 H new ATOM 0 HA THR A 56 6.514 2.229 -11.391 1.00 0.62 H new ATOM 0 HB THR A 56 5.191 4.421 -11.718 1.00 0.67 H new ATOM 0 HG1 THR A 56 6.371 6.025 -12.940 1.00 1.09 H new ATOM 0 HG21 THR A 56 6.917 5.799 -10.611 1.00 1.06 H new ATOM 0 HG22 THR A 56 6.881 4.150 -9.944 1.00 1.06 H new ATOM 0 HG23 THR A 56 8.163 4.619 -11.086 1.00 1.06 H new ATOM 786 N LYS A 57 5.578 2.272 -14.497 1.00 0.61 N ATOM 787 CA LYS A 57 4.476 1.800 -15.380 1.00 0.59 C ATOM 788 C LYS A 57 4.241 0.306 -15.148 1.00 0.54 C ATOM 789 O LYS A 57 3.117 -0.159 -15.130 1.00 0.52 O ATOM 790 CB LYS A 57 4.827 2.047 -16.849 1.00 0.65 C ATOM 791 CG LYS A 57 4.779 3.547 -17.151 1.00 1.20 C ATOM 792 CD LYS A 57 5.085 3.772 -18.633 1.00 1.33 C ATOM 793 CE LYS A 57 4.760 5.218 -19.014 1.00 1.94 C ATOM 794 NZ LYS A 57 5.591 6.145 -18.195 1.00 2.73 N ATOM 0 H LYS A 57 6.441 2.542 -14.969 1.00 0.61 H new ATOM 0 HA LYS A 57 3.568 2.354 -15.141 1.00 0.59 H new ATOM 0 HB2 LYS A 57 5.821 1.655 -17.065 1.00 0.65 H new ATOM 0 HB3 LYS A 57 4.127 1.515 -17.494 1.00 0.65 H new ATOM 0 HG2 LYS A 57 3.796 3.948 -16.905 1.00 1.20 H new ATOM 0 HG3 LYS A 57 5.503 4.078 -16.533 1.00 1.20 H new ATOM 0 HD2 LYS A 57 6.135 3.560 -18.833 1.00 1.33 H new ATOM 0 HD3 LYS A 57 4.499 3.085 -19.243 1.00 1.33 H new ATOM 0 HE2 LYS A 57 4.954 5.379 -20.074 1.00 1.94 H new ATOM 0 HE3 LYS A 57 3.701 5.420 -18.850 1.00 1.94 H new ATOM 0 HZ1 LYS A 57 5.567 7.096 -18.615 1.00 2.73 H new ATOM 0 HZ2 LYS A 57 5.215 6.185 -17.226 1.00 2.73 H new ATOM 0 HZ3 LYS A 57 6.573 5.802 -18.171 1.00 2.73 H new ATOM 808 N LYS A 58 5.284 -0.460 -14.973 1.00 0.55 N ATOM 809 CA LYS A 58 5.087 -1.921 -14.752 1.00 0.53 C ATOM 810 C LYS A 58 4.559 -2.147 -13.325 1.00 0.48 C ATOM 811 O LYS A 58 3.612 -2.883 -13.126 1.00 0.46 O ATOM 812 CB LYS A 58 6.422 -2.660 -14.976 1.00 0.56 C ATOM 813 CG LYS A 58 6.175 -4.017 -15.644 1.00 0.78 C ATOM 814 CD LYS A 58 5.314 -4.888 -14.729 1.00 0.96 C ATOM 815 CE LYS A 58 5.290 -6.319 -15.264 1.00 0.85 C ATOM 816 NZ LYS A 58 4.943 -6.301 -16.714 1.00 1.75 N ATOM 0 H LYS A 58 6.253 -0.142 -14.973 1.00 0.55 H new ATOM 0 HA LYS A 58 4.357 -2.316 -15.459 1.00 0.53 H new ATOM 0 HB2 LYS A 58 7.080 -2.055 -15.600 1.00 0.56 H new ATOM 0 HB3 LYS A 58 6.930 -2.804 -14.022 1.00 0.56 H new ATOM 0 HG2 LYS A 58 5.677 -3.876 -16.603 1.00 0.78 H new ATOM 0 HG3 LYS A 58 7.125 -4.512 -15.847 1.00 0.78 H new ATOM 0 HD2 LYS A 58 5.713 -4.874 -13.715 1.00 0.96 H new ATOM 0 HD3 LYS A 58 4.300 -4.490 -14.678 1.00 0.96 H new ATOM 0 HE2 LYS A 58 6.262 -6.790 -15.117 1.00 0.85 H new ATOM 0 HE3 LYS A 58 4.562 -6.913 -14.712 1.00 0.85 H new ATOM 0 HZ1 LYS A 58 4.597 -7.239 -17.000 1.00 1.75 H new ATOM 0 HZ2 LYS A 58 4.202 -5.592 -16.885 1.00 1.75 H new ATOM 0 HZ3 LYS A 58 5.788 -6.059 -17.270 1.00 1.75 H new ATOM 830 N LEU A 59 5.152 -1.538 -12.329 1.00 0.50 N ATOM 831 CA LEU A 59 4.648 -1.759 -10.940 1.00 0.47 C ATOM 832 C LEU A 59 3.182 -1.319 -10.878 1.00 0.43 C ATOM 833 O LEU A 59 2.419 -1.754 -10.036 1.00 0.42 O ATOM 834 CB LEU A 59 5.486 -0.952 -9.927 1.00 0.53 C ATOM 835 CG LEU A 59 6.757 -1.721 -9.516 1.00 0.71 C ATOM 836 CD1 LEU A 59 6.414 -2.867 -8.549 1.00 1.07 C ATOM 837 CD2 LEU A 59 7.461 -2.284 -10.759 1.00 1.34 C ATOM 0 H LEU A 59 5.950 -0.908 -12.414 1.00 0.50 H new ATOM 0 HA LEU A 59 4.732 -2.815 -10.684 1.00 0.47 H new ATOM 0 HB2 LEU A 59 5.764 0.007 -10.363 1.00 0.53 H new ATOM 0 HB3 LEU A 59 4.885 -0.738 -9.043 1.00 0.53 H new ATOM 0 HG LEU A 59 7.425 -1.026 -9.008 1.00 0.71 H new ATOM 0 HD11 LEU A 59 7.326 -3.395 -8.273 1.00 1.07 H new ATOM 0 HD12 LEU A 59 5.945 -2.459 -7.653 1.00 1.07 H new ATOM 0 HD13 LEU A 59 5.727 -3.560 -9.035 1.00 1.07 H new ATOM 0 HD21 LEU A 59 8.357 -2.825 -10.456 1.00 1.34 H new ATOM 0 HD22 LEU A 59 6.787 -2.962 -11.283 1.00 1.34 H new ATOM 0 HD23 LEU A 59 7.739 -1.465 -11.422 1.00 1.34 H new ATOM 849 N SER A 60 2.778 -0.489 -11.798 1.00 0.43 N ATOM 850 CA SER A 60 1.357 -0.050 -11.833 1.00 0.42 C ATOM 851 C SER A 60 0.508 -1.211 -12.356 1.00 0.39 C ATOM 852 O SER A 60 -0.626 -1.388 -11.957 1.00 0.41 O ATOM 853 CB SER A 60 1.217 1.146 -12.776 1.00 0.47 C ATOM 854 OG SER A 60 -0.129 1.605 -12.758 1.00 1.36 O ATOM 0 H SER A 60 3.372 -0.095 -12.528 1.00 0.43 H new ATOM 0 HA SER A 60 1.027 0.240 -10.835 1.00 0.42 H new ATOM 0 HB2 SER A 60 1.890 1.946 -12.469 1.00 0.47 H new ATOM 0 HB3 SER A 60 1.502 0.861 -13.789 1.00 0.47 H new ATOM 0 HG SER A 60 -0.369 1.949 -13.644 1.00 1.36 H new ATOM 860 N GLU A 61 1.042 -2.008 -13.249 1.00 0.38 N ATOM 861 CA GLU A 61 0.242 -3.151 -13.784 1.00 0.38 C ATOM 862 C GLU A 61 0.049 -4.201 -12.686 1.00 0.38 C ATOM 863 O GLU A 61 -0.962 -4.872 -12.635 1.00 0.41 O ATOM 864 CB GLU A 61 0.944 -3.779 -14.991 1.00 0.39 C ATOM 865 CG GLU A 61 1.020 -2.761 -16.132 1.00 1.06 C ATOM 866 CD GLU A 61 -0.348 -2.641 -16.808 1.00 1.67 C ATOM 867 OE1 GLU A 61 -0.863 -3.657 -17.242 1.00 2.25 O ATOM 868 OE2 GLU A 61 -0.856 -1.534 -16.878 1.00 2.40 O ATOM 0 H GLU A 61 1.985 -1.918 -13.626 1.00 0.38 H new ATOM 0 HA GLU A 61 -0.731 -2.780 -14.105 1.00 0.38 H new ATOM 0 HB2 GLU A 61 1.947 -4.103 -14.713 1.00 0.39 H new ATOM 0 HB3 GLU A 61 0.402 -4.666 -15.318 1.00 0.39 H new ATOM 0 HG2 GLU A 61 1.332 -1.791 -15.746 1.00 1.06 H new ATOM 0 HG3 GLU A 61 1.770 -3.071 -16.860 1.00 1.06 H new ATOM 875 N CYS A 62 0.981 -4.327 -11.787 1.00 0.37 N ATOM 876 CA CYS A 62 0.811 -5.307 -10.677 1.00 0.39 C ATOM 877 C CYS A 62 -0.414 -4.893 -9.863 1.00 0.38 C ATOM 878 O CYS A 62 -1.293 -5.688 -9.593 1.00 0.44 O ATOM 879 CB CYS A 62 2.051 -5.282 -9.780 1.00 0.41 C ATOM 880 SG CYS A 62 1.861 -6.501 -8.455 1.00 1.62 S ATOM 0 H CYS A 62 1.852 -3.796 -11.771 1.00 0.37 H new ATOM 0 HA CYS A 62 0.681 -6.313 -11.075 1.00 0.39 H new ATOM 0 HB2 CYS A 62 2.942 -5.503 -10.367 1.00 0.41 H new ATOM 0 HB3 CYS A 62 2.187 -4.287 -9.357 1.00 0.41 H new ATOM 0 HG CYS A 62 3.014 -6.717 -7.895 1.00 1.62 H new ATOM 886 N LEU A 63 -0.496 -3.647 -9.506 1.00 0.35 N ATOM 887 CA LEU A 63 -1.678 -3.150 -8.749 1.00 0.36 C ATOM 888 C LEU A 63 -2.920 -3.167 -9.648 1.00 0.36 C ATOM 889 O LEU A 63 -4.036 -3.119 -9.168 1.00 0.41 O ATOM 890 CB LEU A 63 -1.400 -1.715 -8.296 1.00 0.38 C ATOM 891 CG LEU A 63 -0.090 -1.677 -7.496 1.00 0.69 C ATOM 892 CD1 LEU A 63 0.234 -0.228 -7.121 1.00 1.39 C ATOM 893 CD2 LEU A 63 -0.236 -2.514 -6.212 1.00 1.11 C ATOM 0 H LEU A 63 0.212 -2.941 -9.707 1.00 0.35 H new ATOM 0 HA LEU A 63 -1.857 -3.791 -7.886 1.00 0.36 H new ATOM 0 HB2 LEU A 63 -1.330 -1.056 -9.161 1.00 0.38 H new ATOM 0 HB3 LEU A 63 -2.224 -1.349 -7.683 1.00 0.38 H new ATOM 0 HG LEU A 63 0.714 -2.090 -8.105 1.00 0.69 H new ATOM 0 HD11 LEU A 63 1.164 -0.198 -6.553 1.00 1.39 H new ATOM 0 HD12 LEU A 63 0.344 0.367 -8.028 1.00 1.39 H new ATOM 0 HD13 LEU A 63 -0.575 0.181 -6.515 1.00 1.39 H new ATOM 0 HD21 LEU A 63 0.697 -2.483 -5.649 1.00 1.11 H new ATOM 0 HD22 LEU A 63 -1.042 -2.106 -5.602 1.00 1.11 H new ATOM 0 HD23 LEU A 63 -0.467 -3.546 -6.475 1.00 1.11 H new ATOM 905 N LYS A 64 -2.751 -3.221 -10.945 1.00 0.35 N ATOM 906 CA LYS A 64 -3.948 -3.223 -11.845 1.00 0.37 C ATOM 907 C LYS A 64 -4.472 -4.652 -12.019 1.00 0.39 C ATOM 908 O LYS A 64 -5.651 -4.913 -11.884 1.00 0.43 O ATOM 909 CB LYS A 64 -3.563 -2.655 -13.213 1.00 0.38 C ATOM 910 CG LYS A 64 -4.821 -2.400 -14.055 1.00 0.82 C ATOM 911 CD LYS A 64 -5.589 -1.175 -13.527 1.00 1.35 C ATOM 912 CE LYS A 64 -6.494 -0.621 -14.627 1.00 1.38 C ATOM 913 NZ LYS A 64 -7.388 -1.705 -15.126 1.00 2.09 N ATOM 0 H LYS A 64 -1.848 -3.263 -11.417 1.00 0.35 H new ATOM 0 HA LYS A 64 -4.728 -2.607 -11.398 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -3.007 -1.726 -13.086 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -2.904 -3.352 -13.732 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -4.541 -2.239 -15.096 1.00 0.82 H new ATOM 0 HG3 LYS A 64 -5.466 -3.278 -14.030 1.00 0.82 H new ATOM 0 HD2 LYS A 64 -6.185 -1.454 -12.658 1.00 1.35 H new ATOM 0 HD3 LYS A 64 -4.888 -0.408 -13.199 1.00 1.35 H new ATOM 0 HE2 LYS A 64 -7.089 0.207 -14.241 1.00 1.38 H new ATOM 0 HE3 LYS A 64 -5.891 -0.227 -15.445 1.00 1.38 H new ATOM 0 HZ1 LYS A 64 -8.183 -1.286 -15.650 1.00 2.09 H new ATOM 0 HZ2 LYS A 64 -6.851 -2.335 -15.756 1.00 2.09 H new ATOM 0 HZ3 LYS A 64 -7.754 -2.251 -14.320 1.00 2.09 H new ATOM 927 N ARG A 65 -3.605 -5.579 -12.325 1.00 0.43 N ATOM 928 CA ARG A 65 -4.049 -6.989 -12.515 1.00 0.47 C ATOM 929 C ARG A 65 -4.649 -7.522 -11.214 1.00 0.50 C ATOM 930 O ARG A 65 -5.594 -8.287 -11.222 1.00 0.54 O ATOM 931 CB ARG A 65 -2.844 -7.850 -12.900 1.00 0.45 C ATOM 932 CG ARG A 65 -2.401 -7.506 -14.330 1.00 0.94 C ATOM 933 CD ARG A 65 -3.461 -7.963 -15.361 1.00 1.55 C ATOM 934 NE ARG A 65 -2.786 -8.612 -16.531 1.00 1.86 N ATOM 935 CZ ARG A 65 -1.746 -8.064 -17.106 1.00 2.39 C ATOM 936 NH1 ARG A 65 -1.347 -6.873 -16.755 1.00 2.94 N ATOM 937 NH2 ARG A 65 -1.125 -8.698 -18.063 1.00 2.92 N ATOM 0 H ARG A 65 -2.606 -5.420 -12.452 1.00 0.43 H new ATOM 0 HA ARG A 65 -4.801 -7.027 -13.304 1.00 0.47 H new ATOM 0 HB2 ARG A 65 -2.024 -7.678 -12.203 1.00 0.45 H new ATOM 0 HB3 ARG A 65 -3.103 -8.907 -12.833 1.00 0.45 H new ATOM 0 HG2 ARG A 65 -2.243 -6.431 -14.417 1.00 0.94 H new ATOM 0 HG3 ARG A 65 -1.447 -7.987 -14.545 1.00 0.94 H new ATOM 0 HD2 ARG A 65 -4.155 -8.663 -14.896 1.00 1.55 H new ATOM 0 HD3 ARG A 65 -4.047 -7.108 -15.697 1.00 1.55 H new ATOM 0 HE ARG A 65 -3.144 -9.498 -16.886 1.00 1.86 H new ATOM 0 HH11 ARG A 65 -1.846 -6.362 -16.027 1.00 2.94 H new ATOM 0 HH12 ARG A 65 -0.535 -6.453 -17.208 1.00 2.94 H new ATOM 0 HH21 ARG A 65 -1.451 -9.618 -18.361 1.00 2.92 H new ATOM 0 HH22 ARG A 65 -0.314 -8.274 -18.513 1.00 2.92 H new ATOM 951 N ILE A 66 -4.110 -7.126 -10.092 1.00 0.49 N ATOM 952 CA ILE A 66 -4.652 -7.613 -8.791 1.00 0.53 C ATOM 953 C ILE A 66 -5.846 -6.740 -8.399 1.00 0.54 C ATOM 954 O ILE A 66 -6.813 -7.209 -7.840 1.00 0.60 O ATOM 955 CB ILE A 66 -3.557 -7.519 -7.721 1.00 0.52 C ATOM 956 CG1 ILE A 66 -2.520 -8.620 -7.955 1.00 1.22 C ATOM 957 CG2 ILE A 66 -4.163 -7.682 -6.322 1.00 1.29 C ATOM 958 CD1 ILE A 66 -1.281 -8.338 -7.104 1.00 1.25 C ATOM 0 H ILE A 66 -3.318 -6.487 -10.020 1.00 0.49 H new ATOM 0 HA ILE A 66 -4.974 -8.651 -8.879 1.00 0.53 H new ATOM 0 HB ILE A 66 -3.081 -6.541 -7.789 1.00 0.52 H new ATOM 0 HG12 ILE A 66 -2.940 -9.592 -7.695 1.00 1.22 H new ATOM 0 HG13 ILE A 66 -2.249 -8.662 -9.010 1.00 1.22 H new ATOM 0 HG21 ILE A 66 -3.374 -7.613 -5.573 1.00 1.29 H new ATOM 0 HG22 ILE A 66 -4.897 -6.895 -6.149 1.00 1.29 H new ATOM 0 HG23 ILE A 66 -4.650 -8.654 -6.247 1.00 1.29 H new ATOM 0 HD11 ILE A 66 -0.541 -9.121 -7.269 1.00 1.25 H new ATOM 0 HD12 ILE A 66 -0.858 -7.374 -7.385 1.00 1.25 H new ATOM 0 HD13 ILE A 66 -1.560 -8.318 -6.050 1.00 1.25 H new ATOM 970 N GLY A 67 -5.787 -5.477 -8.713 1.00 0.52 N ATOM 971 CA GLY A 67 -6.918 -4.564 -8.384 1.00 0.55 C ATOM 972 C GLY A 67 -8.171 -5.018 -9.129 1.00 0.53 C ATOM 973 O GLY A 67 -9.251 -5.059 -8.574 1.00 0.63 O ATOM 0 H GLY A 67 -4.999 -5.034 -9.186 1.00 0.52 H new ATOM 0 HA2 GLY A 67 -7.100 -4.566 -7.309 1.00 0.55 H new ATOM 0 HA3 GLY A 67 -6.667 -3.541 -8.663 1.00 0.55 H new ATOM 977 N ASP A 68 -8.044 -5.353 -10.382 1.00 0.54 N ATOM 978 CA ASP A 68 -9.235 -5.794 -11.157 1.00 0.54 C ATOM 979 C ASP A 68 -9.728 -7.141 -10.627 1.00 0.52 C ATOM 980 O ASP A 68 -10.915 -7.393 -10.557 1.00 0.56 O ATOM 981 CB ASP A 68 -8.855 -5.932 -12.632 1.00 0.60 C ATOM 982 CG ASP A 68 -10.107 -6.237 -13.455 1.00 1.43 C ATOM 983 OD1 ASP A 68 -11.138 -6.491 -12.854 1.00 2.12 O ATOM 984 OD2 ASP A 68 -10.013 -6.212 -14.671 1.00 2.20 O ATOM 0 H ASP A 68 -7.167 -5.340 -10.902 1.00 0.54 H new ATOM 0 HA ASP A 68 -10.030 -5.056 -11.051 1.00 0.54 H new ATOM 0 HB2 ASP A 68 -8.389 -5.012 -12.986 1.00 0.60 H new ATOM 0 HB3 ASP A 68 -8.122 -6.729 -12.757 1.00 0.60 H new ATOM 989 N GLU A 69 -8.832 -8.013 -10.255 1.00 0.56 N ATOM 990 CA GLU A 69 -9.263 -9.342 -9.737 1.00 0.56 C ATOM 991 C GLU A 69 -9.821 -9.181 -8.320 1.00 0.55 C ATOM 992 O GLU A 69 -10.801 -9.801 -7.958 1.00 0.73 O ATOM 993 CB GLU A 69 -8.064 -10.297 -9.717 1.00 0.61 C ATOM 994 CG GLU A 69 -8.551 -11.745 -9.580 1.00 0.84 C ATOM 995 CD GLU A 69 -9.038 -12.260 -10.938 1.00 1.65 C ATOM 996 OE1 GLU A 69 -9.261 -11.442 -11.815 1.00 2.48 O ATOM 997 OE2 GLU A 69 -9.176 -13.464 -11.078 1.00 2.23 O ATOM 0 H GLU A 69 -7.823 -7.864 -10.287 1.00 0.56 H new ATOM 0 HA GLU A 69 -10.038 -9.752 -10.385 1.00 0.56 H new ATOM 0 HB2 GLU A 69 -7.483 -10.185 -10.633 1.00 0.61 H new ATOM 0 HB3 GLU A 69 -7.403 -10.047 -8.888 1.00 0.61 H new ATOM 0 HG2 GLU A 69 -7.743 -12.376 -9.210 1.00 0.84 H new ATOM 0 HG3 GLU A 69 -9.358 -11.799 -8.850 1.00 0.84 H new ATOM 1004 N LEU A 70 -9.206 -8.363 -7.514 1.00 0.53 N ATOM 1005 CA LEU A 70 -9.705 -8.177 -6.122 1.00 0.52 C ATOM 1006 C LEU A 70 -11.011 -7.378 -6.136 1.00 0.54 C ATOM 1007 O LEU A 70 -11.937 -7.682 -5.411 1.00 0.60 O ATOM 1008 CB LEU A 70 -8.647 -7.416 -5.284 1.00 0.61 C ATOM 1009 CG LEU A 70 -7.699 -8.389 -4.545 1.00 0.70 C ATOM 1010 CD1 LEU A 70 -8.390 -8.974 -3.302 1.00 1.38 C ATOM 1011 CD2 LEU A 70 -7.254 -9.533 -5.477 1.00 1.61 C ATOM 0 H LEU A 70 -8.381 -7.815 -7.757 1.00 0.53 H new ATOM 0 HA LEU A 70 -9.886 -9.156 -5.679 1.00 0.52 H new ATOM 0 HB2 LEU A 70 -8.065 -6.765 -5.936 1.00 0.61 H new ATOM 0 HB3 LEU A 70 -9.149 -6.775 -4.559 1.00 0.61 H new ATOM 0 HG LEU A 70 -6.819 -7.827 -4.233 1.00 0.70 H new ATOM 0 HD11 LEU A 70 -7.708 -9.656 -2.794 1.00 1.38 H new ATOM 0 HD12 LEU A 70 -8.666 -8.166 -2.625 1.00 1.38 H new ATOM 0 HD13 LEU A 70 -9.286 -9.515 -3.605 1.00 1.38 H new ATOM 0 HD21 LEU A 70 -6.588 -10.205 -4.936 1.00 1.61 H new ATOM 0 HD22 LEU A 70 -8.129 -10.086 -5.817 1.00 1.61 H new ATOM 0 HD23 LEU A 70 -6.730 -9.118 -6.338 1.00 1.61 H new ATOM 1023 N ASP A 71 -11.092 -6.349 -6.934 1.00 0.67 N ATOM 1024 CA ASP A 71 -12.342 -5.542 -6.946 1.00 0.91 C ATOM 1025 C ASP A 71 -13.515 -6.406 -7.417 1.00 1.02 C ATOM 1026 O ASP A 71 -14.655 -6.005 -7.295 1.00 1.29 O ATOM 1027 CB ASP A 71 -12.182 -4.323 -7.858 1.00 1.09 C ATOM 1028 CG ASP A 71 -11.072 -3.417 -7.321 1.00 1.66 C ATOM 1029 OD1 ASP A 71 -11.021 -3.225 -6.118 1.00 2.25 O ATOM 1030 OD2 ASP A 71 -10.294 -2.928 -8.124 1.00 2.36 O ATOM 0 H ASP A 71 -10.358 -6.036 -7.569 1.00 0.67 H new ATOM 0 HA ASP A 71 -12.544 -5.191 -5.934 1.00 0.91 H new ATOM 0 HB2 ASP A 71 -11.943 -4.644 -8.872 1.00 1.09 H new ATOM 0 HB3 ASP A 71 -13.121 -3.771 -7.911 1.00 1.09 H new ATOM 1035 N SER A 72 -13.264 -7.600 -7.919 1.00 0.90 N ATOM 1036 CA SER A 72 -14.395 -8.488 -8.354 1.00 1.20 C ATOM 1037 C SER A 72 -14.582 -9.556 -7.280 1.00 0.98 C ATOM 1038 O SER A 72 -14.342 -10.732 -7.472 1.00 1.02 O ATOM 1039 CB SER A 72 -14.110 -9.122 -9.715 1.00 1.57 C ATOM 1040 OG SER A 72 -13.857 -8.096 -10.666 1.00 2.09 O ATOM 0 H SER A 72 -12.331 -7.993 -8.045 1.00 0.90 H new ATOM 0 HA SER A 72 -15.308 -7.903 -8.469 1.00 1.20 H new ATOM 0 HB2 SER A 72 -13.251 -9.790 -9.646 1.00 1.57 H new ATOM 0 HB3 SER A 72 -14.959 -9.727 -10.033 1.00 1.57 H new ATOM 0 HG SER A 72 -12.904 -7.866 -10.654 1.00 2.09 H new ATOM 1046 N ASN A 73 -15.032 -9.107 -6.150 1.00 0.92 N ATOM 1047 CA ASN A 73 -15.293 -9.999 -4.988 1.00 0.83 C ATOM 1048 C ASN A 73 -16.533 -9.477 -4.264 1.00 0.75 C ATOM 1049 O ASN A 73 -16.544 -8.377 -3.748 1.00 1.07 O ATOM 1050 CB ASN A 73 -14.090 -9.965 -4.039 1.00 0.91 C ATOM 1051 CG ASN A 73 -14.323 -10.934 -2.878 1.00 1.43 C ATOM 1052 OD1 ASN A 73 -15.315 -11.779 -2.939 1.00 2.29 O flip ATOM 1053 ND2 ASN A 73 -13.593 -10.923 -1.906 1.00 1.90 N flip ATOM 0 H ASN A 73 -15.238 -8.123 -5.975 1.00 0.92 H new ATOM 0 HA ASN A 73 -15.451 -11.025 -5.320 1.00 0.83 H new ATOM 0 HB2 ASN A 73 -13.182 -10.238 -4.577 1.00 0.91 H new ATOM 0 HB3 ASN A 73 -13.943 -8.954 -3.658 1.00 0.91 H new ATOM 0 HD21 ASN A 73 -12.817 -10.262 -1.858 1.00 1.90 H new ATOM 0 HD22 ASN A 73 -13.756 -11.574 -1.138 1.00 1.90 H new ATOM 1060 N MET A 74 -17.587 -10.248 -4.237 1.00 0.71 N ATOM 1061 CA MET A 74 -18.832 -9.785 -3.564 1.00 0.67 C ATOM 1062 C MET A 74 -18.703 -9.975 -2.058 1.00 0.67 C ATOM 1063 O MET A 74 -19.457 -9.426 -1.283 1.00 0.71 O ATOM 1064 CB MET A 74 -20.032 -10.574 -4.100 1.00 0.75 C ATOM 1065 CG MET A 74 -20.253 -10.248 -5.596 1.00 1.20 C ATOM 1066 SD MET A 74 -20.644 -11.767 -6.506 1.00 1.92 S ATOM 1067 CE MET A 74 -19.811 -11.334 -8.055 1.00 1.96 C ATOM 0 H MET A 74 -17.638 -11.178 -4.652 1.00 0.71 H new ATOM 0 HA MET A 74 -18.986 -8.726 -3.772 1.00 0.67 H new ATOM 0 HB2 MET A 74 -19.861 -11.643 -3.974 1.00 0.75 H new ATOM 0 HB3 MET A 74 -20.926 -10.325 -3.529 1.00 0.75 H new ATOM 0 HG2 MET A 74 -21.065 -9.529 -5.705 1.00 1.20 H new ATOM 0 HG3 MET A 74 -19.359 -9.784 -6.012 1.00 1.20 H new ATOM 0 HE1 MET A 74 -19.929 -12.147 -8.771 1.00 1.96 H new ATOM 0 HE2 MET A 74 -20.252 -10.424 -8.463 1.00 1.96 H new ATOM 0 HE3 MET A 74 -18.751 -11.170 -7.864 1.00 1.96 H new ATOM 1077 N GLU A 75 -17.729 -10.730 -1.640 1.00 0.70 N ATOM 1078 CA GLU A 75 -17.514 -10.941 -0.189 1.00 0.75 C ATOM 1079 C GLU A 75 -16.788 -9.724 0.376 1.00 0.73 C ATOM 1080 O GLU A 75 -17.123 -9.235 1.431 1.00 0.78 O ATOM 1081 CB GLU A 75 -16.656 -12.187 0.021 1.00 0.87 C ATOM 1082 CG GLU A 75 -16.620 -12.532 1.509 1.00 1.15 C ATOM 1083 CD GLU A 75 -15.767 -13.785 1.723 1.00 1.70 C ATOM 1084 OE1 GLU A 75 -16.113 -14.815 1.168 1.00 2.29 O ATOM 1085 OE2 GLU A 75 -14.783 -13.693 2.438 1.00 2.21 O ATOM 0 H GLU A 75 -17.068 -11.213 -2.249 1.00 0.70 H new ATOM 0 HA GLU A 75 -18.471 -11.074 0.316 1.00 0.75 H new ATOM 0 HB2 GLU A 75 -17.063 -13.023 -0.548 1.00 0.87 H new ATOM 0 HB3 GLU A 75 -15.645 -12.013 -0.348 1.00 0.87 H new ATOM 0 HG2 GLU A 75 -16.208 -11.698 2.077 1.00 1.15 H new ATOM 0 HG3 GLU A 75 -17.632 -12.700 1.879 1.00 1.15 H new ATOM 1092 N LEU A 76 -15.801 -9.229 -0.324 1.00 0.74 N ATOM 1093 CA LEU A 76 -15.052 -8.037 0.168 1.00 0.80 C ATOM 1094 C LEU A 76 -15.805 -6.759 -0.197 1.00 0.75 C ATOM 1095 O LEU A 76 -15.778 -5.787 0.522 1.00 0.81 O ATOM 1096 CB LEU A 76 -13.663 -7.998 -0.471 1.00 0.92 C ATOM 1097 CG LEU A 76 -12.801 -6.906 0.198 1.00 1.00 C ATOM 1098 CD1 LEU A 76 -12.167 -7.445 1.485 1.00 1.57 C ATOM 1099 CD2 LEU A 76 -11.690 -6.470 -0.763 1.00 1.51 C ATOM 0 H LEU A 76 -15.481 -9.601 -1.218 1.00 0.74 H new ATOM 0 HA LEU A 76 -14.956 -8.106 1.252 1.00 0.80 H new ATOM 0 HB2 LEU A 76 -13.179 -8.969 -0.367 1.00 0.92 H new ATOM 0 HB3 LEU A 76 -13.751 -7.799 -1.539 1.00 0.92 H new ATOM 0 HG LEU A 76 -13.438 -6.056 0.440 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -11.562 -6.665 1.947 1.00 1.57 H new ATOM 0 HD12 LEU A 76 -12.952 -7.752 2.176 1.00 1.57 H new ATOM 0 HD13 LEU A 76 -11.536 -8.302 1.249 1.00 1.57 H new ATOM 0 HD21 LEU A 76 -11.082 -5.699 -0.290 1.00 1.51 H new ATOM 0 HD22 LEU A 76 -11.063 -7.328 -1.008 1.00 1.51 H new ATOM 0 HD23 LEU A 76 -12.134 -6.073 -1.676 1.00 1.51 H new ATOM 1111 N GLN A 77 -16.503 -6.762 -1.292 1.00 0.76 N ATOM 1112 CA GLN A 77 -17.280 -5.552 -1.665 1.00 0.74 C ATOM 1113 C GLN A 77 -18.477 -5.478 -0.722 1.00 0.71 C ATOM 1114 O GLN A 77 -18.920 -4.411 -0.335 1.00 0.72 O ATOM 1115 CB GLN A 77 -17.749 -5.657 -3.121 1.00 0.71 C ATOM 1116 CG GLN A 77 -18.172 -4.279 -3.634 1.00 1.26 C ATOM 1117 CD GLN A 77 -19.396 -3.794 -2.856 1.00 1.59 C ATOM 1118 OE1 GLN A 77 -20.274 -4.572 -2.537 1.00 2.35 O ATOM 1119 NE2 GLN A 77 -19.492 -2.534 -2.533 1.00 2.03 N ATOM 0 H GLN A 77 -16.570 -7.545 -1.943 1.00 0.76 H new ATOM 0 HA GLN A 77 -16.669 -4.654 -1.578 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -16.947 -6.055 -3.742 1.00 0.71 H new ATOM 0 HB3 GLN A 77 -18.584 -6.354 -3.194 1.00 0.71 H new ATOM 0 HG2 GLN A 77 -17.352 -3.570 -3.520 1.00 1.26 H new ATOM 0 HG3 GLN A 77 -18.402 -4.331 -4.698 1.00 1.26 H new ATOM 0 HE21 GLN A 77 -18.755 -1.881 -2.801 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -20.304 -2.201 -2.013 1.00 2.03 H new ATOM 1128 N ARG A 78 -18.980 -6.607 -0.317 1.00 0.72 N ATOM 1129 CA ARG A 78 -20.121 -6.602 0.626 1.00 0.73 C ATOM 1130 C ARG A 78 -19.596 -6.240 2.008 1.00 0.75 C ATOM 1131 O ARG A 78 -20.310 -5.738 2.852 1.00 0.79 O ATOM 1132 CB ARG A 78 -20.747 -8.000 0.684 1.00 0.74 C ATOM 1133 CG ARG A 78 -21.814 -8.044 1.789 1.00 0.94 C ATOM 1134 CD ARG A 78 -22.525 -9.395 1.776 1.00 1.23 C ATOM 1135 NE ARG A 78 -23.161 -9.619 3.105 1.00 1.80 N ATOM 1136 CZ ARG A 78 -24.053 -10.559 3.252 1.00 2.50 C ATOM 1137 NH1 ARG A 78 -24.387 -11.306 2.236 1.00 2.83 N ATOM 1138 NH2 ARG A 78 -24.609 -10.753 4.417 1.00 3.41 N ATOM 0 H ARG A 78 -18.649 -7.530 -0.599 1.00 0.72 H new ATOM 0 HA ARG A 78 -20.872 -5.883 0.298 1.00 0.73 H new ATOM 0 HB2 ARG A 78 -21.195 -8.248 -0.278 1.00 0.74 H new ATOM 0 HB3 ARG A 78 -19.977 -8.746 0.879 1.00 0.74 H new ATOM 0 HG2 ARG A 78 -21.350 -7.878 2.761 1.00 0.94 H new ATOM 0 HG3 ARG A 78 -22.537 -7.242 1.640 1.00 0.94 H new ATOM 0 HD2 ARG A 78 -23.279 -9.417 0.989 1.00 1.23 H new ATOM 0 HD3 ARG A 78 -21.815 -10.193 1.559 1.00 1.23 H new ATOM 0 HE ARG A 78 -22.898 -9.037 3.900 1.00 1.80 H new ATOM 0 HH11 ARG A 78 -23.950 -11.155 1.327 1.00 2.83 H new ATOM 0 HH12 ARG A 78 -25.085 -12.041 2.351 1.00 2.83 H new ATOM 0 HH21 ARG A 78 -24.346 -10.170 5.211 1.00 3.41 H new ATOM 0 HH22 ARG A 78 -25.307 -11.488 4.533 1.00 3.41 H new ATOM 1152 N MET A 79 -18.345 -6.525 2.250 1.00 0.75 N ATOM 1153 CA MET A 79 -17.758 -6.239 3.579 1.00 0.77 C ATOM 1154 C MET A 79 -17.519 -4.739 3.719 1.00 0.77 C ATOM 1155 O MET A 79 -17.945 -4.121 4.675 1.00 0.78 O ATOM 1156 CB MET A 79 -16.428 -7.009 3.708 1.00 0.81 C ATOM 1157 CG MET A 79 -16.080 -7.262 5.175 1.00 1.08 C ATOM 1158 SD MET A 79 -15.075 -8.768 5.345 1.00 1.07 S ATOM 1159 CE MET A 79 -15.392 -8.970 7.112 1.00 0.81 C ATOM 0 H MET A 79 -17.705 -6.946 1.576 1.00 0.75 H new ATOM 0 HA MET A 79 -18.439 -6.557 4.369 1.00 0.77 H new ATOM 0 HB2 MET A 79 -16.501 -7.959 3.179 1.00 0.81 H new ATOM 0 HB3 MET A 79 -15.628 -6.441 3.234 1.00 0.81 H new ATOM 0 HG2 MET A 79 -15.536 -6.408 5.578 1.00 1.08 H new ATOM 0 HG3 MET A 79 -16.995 -7.361 5.759 1.00 1.08 H new ATOM 0 HE1 MET A 79 -15.222 -10.009 7.396 1.00 0.81 H new ATOM 0 HE2 MET A 79 -14.721 -8.324 7.678 1.00 0.81 H new ATOM 0 HE3 MET A 79 -16.425 -8.699 7.330 1.00 0.81 H new ATOM 1169 N ILE A 80 -16.858 -4.142 2.770 1.00 0.77 N ATOM 1170 CA ILE A 80 -16.622 -2.680 2.856 1.00 0.80 C ATOM 1171 C ILE A 80 -17.976 -1.994 3.024 1.00 0.80 C ATOM 1172 O ILE A 80 -18.081 -0.924 3.591 1.00 0.83 O ATOM 1173 CB ILE A 80 -15.941 -2.193 1.577 1.00 0.82 C ATOM 1174 CG1 ILE A 80 -14.600 -2.913 1.411 1.00 0.84 C ATOM 1175 CG2 ILE A 80 -15.701 -0.686 1.670 1.00 0.89 C ATOM 1176 CD1 ILE A 80 -14.083 -2.708 -0.014 1.00 1.10 C ATOM 0 H ILE A 80 -16.474 -4.601 1.944 1.00 0.77 H new ATOM 0 HA ILE A 80 -15.975 -2.445 3.701 1.00 0.80 H new ATOM 0 HB ILE A 80 -16.579 -2.407 0.720 1.00 0.82 H new ATOM 0 HG12 ILE A 80 -13.877 -2.528 2.130 1.00 0.84 H new ATOM 0 HG13 ILE A 80 -14.719 -3.977 1.617 1.00 0.84 H new ATOM 0 HG21 ILE A 80 -15.215 -0.338 0.758 1.00 0.89 H new ATOM 0 HG22 ILE A 80 -16.655 -0.173 1.792 1.00 0.89 H new ATOM 0 HG23 ILE A 80 -15.062 -0.472 2.526 1.00 0.89 H new ATOM 0 HD11 ILE A 80 -13.128 -3.221 -0.132 1.00 1.10 H new ATOM 0 HD12 ILE A 80 -14.803 -3.114 -0.724 1.00 1.10 H new ATOM 0 HD13 ILE A 80 -13.949 -1.643 -0.203 1.00 1.10 H new ATOM 1188 N ALA A 81 -19.019 -2.619 2.545 1.00 0.78 N ATOM 1189 CA ALA A 81 -20.374 -2.022 2.687 1.00 0.80 C ATOM 1190 C ALA A 81 -20.867 -2.221 4.125 1.00 0.81 C ATOM 1191 O ALA A 81 -21.759 -1.535 4.585 1.00 0.85 O ATOM 1192 CB ALA A 81 -21.341 -2.708 1.718 1.00 0.79 C ATOM 0 H ALA A 81 -18.989 -3.517 2.062 1.00 0.78 H new ATOM 0 HA ALA A 81 -20.328 -0.957 2.459 1.00 0.80 H new ATOM 0 HB1 ALA A 81 -22.333 -2.270 1.823 1.00 0.79 H new ATOM 0 HB2 ALA A 81 -20.990 -2.570 0.695 1.00 0.79 H new ATOM 0 HB3 ALA A 81 -21.389 -3.773 1.945 1.00 0.79 H new ATOM 1198 N ALA A 82 -20.293 -3.154 4.840 1.00 0.78 N ATOM 1199 CA ALA A 82 -20.730 -3.396 6.248 1.00 0.80 C ATOM 1200 C ALA A 82 -20.047 -2.388 7.176 1.00 0.79 C ATOM 1201 O ALA A 82 -20.465 -2.179 8.297 1.00 0.83 O ATOM 1202 CB ALA A 82 -20.344 -4.816 6.664 1.00 0.87 C ATOM 0 H ALA A 82 -19.541 -3.759 4.510 1.00 0.78 H new ATOM 0 HA ALA A 82 -21.811 -3.278 6.318 1.00 0.80 H new ATOM 0 HB1 ALA A 82 -20.662 -4.993 7.691 1.00 0.87 H new ATOM 0 HB2 ALA A 82 -20.831 -5.534 6.004 1.00 0.87 H new ATOM 0 HB3 ALA A 82 -19.263 -4.934 6.594 1.00 0.87 H new ATOM 1208 N VAL A 83 -19.008 -1.747 6.711 1.00 0.80 N ATOM 1209 CA VAL A 83 -18.305 -0.734 7.557 1.00 0.85 C ATOM 1210 C VAL A 83 -18.994 0.625 7.373 1.00 0.99 C ATOM 1211 O VAL A 83 -18.645 1.414 6.517 1.00 1.36 O ATOM 1212 CB VAL A 83 -16.830 -0.639 7.144 1.00 0.97 C ATOM 1213 CG1 VAL A 83 -16.042 0.119 8.211 1.00 1.81 C ATOM 1214 CG2 VAL A 83 -16.242 -2.046 6.986 1.00 1.40 C ATOM 0 H VAL A 83 -18.614 -1.880 5.780 1.00 0.80 H new ATOM 0 HA VAL A 83 -18.351 -1.030 8.605 1.00 0.85 H new ATOM 0 HB VAL A 83 -16.762 -0.108 6.195 1.00 0.97 H new ATOM 0 HG11 VAL A 83 -14.995 0.184 7.913 1.00 1.81 H new ATOM 0 HG12 VAL A 83 -16.451 1.123 8.320 1.00 1.81 H new ATOM 0 HG13 VAL A 83 -16.117 -0.409 9.162 1.00 1.81 H new ATOM 0 HG21 VAL A 83 -15.195 -1.972 6.693 1.00 1.40 H new ATOM 0 HG22 VAL A 83 -16.317 -2.580 7.933 1.00 1.40 H new ATOM 0 HG23 VAL A 83 -16.796 -2.588 6.219 1.00 1.40 H new ATOM 1273 N PRO A 88 -11.497 8.826 9.188 1.00 0.77 N ATOM 1274 CA PRO A 88 -10.282 8.720 8.347 1.00 0.83 C ATOM 1275 C PRO A 88 -9.017 8.451 9.189 1.00 0.73 C ATOM 1276 O PRO A 88 -8.339 7.461 8.996 1.00 0.72 O ATOM 1277 CB PRO A 88 -10.175 10.095 7.643 1.00 1.01 C ATOM 1278 CG PRO A 88 -11.197 11.043 8.325 1.00 1.07 C ATOM 1279 CD PRO A 88 -12.133 10.165 9.178 1.00 0.83 C ATOM 0 HA PRO A 88 -10.355 7.887 7.648 1.00 0.83 H new ATOM 0 HB2 PRO A 88 -9.164 10.493 7.729 1.00 1.01 H new ATOM 0 HB3 PRO A 88 -10.390 10.000 6.579 1.00 1.01 H new ATOM 0 HG2 PRO A 88 -10.685 11.777 8.947 1.00 1.07 H new ATOM 0 HG3 PRO A 88 -11.765 11.598 7.578 1.00 1.07 H new ATOM 0 HD2 PRO A 88 -12.235 10.562 10.188 1.00 0.83 H new ATOM 0 HD3 PRO A 88 -13.134 10.123 8.750 1.00 0.83 H new ATOM 1287 N ARG A 89 -8.660 9.349 10.070 1.00 0.75 N ATOM 1288 CA ARG A 89 -7.399 9.157 10.855 1.00 0.73 C ATOM 1289 C ARG A 89 -7.532 8.038 11.899 1.00 0.67 C ATOM 1290 O ARG A 89 -6.658 7.205 12.033 1.00 0.68 O ATOM 1291 CB ARG A 89 -7.023 10.464 11.555 1.00 0.79 C ATOM 1292 CG ARG A 89 -6.883 11.580 10.519 1.00 1.63 C ATOM 1293 CD ARG A 89 -6.739 12.923 11.237 1.00 1.65 C ATOM 1294 NE ARG A 89 -7.983 13.211 12.005 1.00 2.07 N ATOM 1295 CZ ARG A 89 -7.981 14.130 12.931 1.00 2.47 C ATOM 1296 NH1 ARG A 89 -6.887 14.794 13.189 1.00 2.69 N ATOM 1297 NH2 ARG A 89 -9.072 14.385 13.601 1.00 3.10 N ATOM 0 H ARG A 89 -9.180 10.201 10.281 1.00 0.75 H new ATOM 0 HA ARG A 89 -6.617 8.866 10.153 1.00 0.73 H new ATOM 0 HB2 ARG A 89 -7.786 10.728 12.288 1.00 0.79 H new ATOM 0 HB3 ARG A 89 -6.087 10.340 12.100 1.00 0.79 H new ATOM 0 HG2 ARG A 89 -6.014 11.398 9.887 1.00 1.63 H new ATOM 0 HG3 ARG A 89 -7.755 11.596 9.865 1.00 1.63 H new ATOM 0 HD2 ARG A 89 -5.881 12.898 11.909 1.00 1.65 H new ATOM 0 HD3 ARG A 89 -6.554 13.717 10.513 1.00 1.65 H new ATOM 0 HE ARG A 89 -8.837 12.689 11.807 1.00 2.07 H new ATOM 0 HH11 ARG A 89 -6.034 14.594 12.667 1.00 2.69 H new ATOM 0 HH12 ARG A 89 -6.885 15.513 13.913 1.00 2.69 H new ATOM 0 HH21 ARG A 89 -9.927 13.866 13.401 1.00 3.10 H new ATOM 0 HH22 ARG A 89 -9.070 15.104 14.325 1.00 3.10 H new ATOM 1311 N GLU A 90 -8.600 8.011 12.646 1.00 0.65 N ATOM 1312 CA GLU A 90 -8.751 6.942 13.681 1.00 0.65 C ATOM 1313 C GLU A 90 -8.668 5.563 13.018 1.00 0.64 C ATOM 1314 O GLU A 90 -8.167 4.622 13.602 1.00 0.67 O ATOM 1315 CB GLU A 90 -10.101 7.098 14.382 1.00 0.71 C ATOM 1316 CG GLU A 90 -10.238 8.530 14.902 1.00 1.32 C ATOM 1317 CD GLU A 90 -11.559 8.678 15.659 1.00 2.02 C ATOM 1318 OE1 GLU A 90 -12.555 8.163 15.179 1.00 2.78 O ATOM 1319 OE2 GLU A 90 -11.552 9.306 16.705 1.00 2.46 O ATOM 0 H GLU A 90 -9.371 8.676 12.588 1.00 0.65 H new ATOM 0 HA GLU A 90 -7.950 7.034 14.414 1.00 0.65 H new ATOM 0 HB2 GLU A 90 -10.912 6.871 13.690 1.00 0.71 H new ATOM 0 HB3 GLU A 90 -10.179 6.390 15.207 1.00 0.71 H new ATOM 0 HG2 GLU A 90 -9.402 8.770 15.559 1.00 1.32 H new ATOM 0 HG3 GLU A 90 -10.203 9.234 14.071 1.00 1.32 H new ATOM 1326 N VAL A 91 -9.153 5.421 11.815 1.00 0.64 N ATOM 1327 CA VAL A 91 -9.092 4.085 11.143 1.00 0.67 C ATOM 1328 C VAL A 91 -7.775 3.950 10.380 1.00 0.66 C ATOM 1329 O VAL A 91 -7.127 2.923 10.426 1.00 0.67 O ATOM 1330 CB VAL A 91 -10.267 3.940 10.177 1.00 0.71 C ATOM 1331 CG1 VAL A 91 -10.262 2.544 9.548 1.00 0.80 C ATOM 1332 CG2 VAL A 91 -11.569 4.132 10.946 1.00 0.75 C ATOM 0 H VAL A 91 -9.587 6.165 11.268 1.00 0.64 H new ATOM 0 HA VAL A 91 -9.150 3.301 11.898 1.00 0.67 H new ATOM 0 HB VAL A 91 -10.178 4.689 9.390 1.00 0.71 H new ATOM 0 HG11 VAL A 91 -11.103 2.451 8.861 1.00 0.80 H new ATOM 0 HG12 VAL A 91 -9.330 2.394 9.003 1.00 0.80 H new ATOM 0 HG13 VAL A 91 -10.349 1.791 10.332 1.00 0.80 H new ATOM 0 HG21 VAL A 91 -12.413 4.030 10.264 1.00 0.75 H new ATOM 0 HG22 VAL A 91 -11.643 3.378 11.730 1.00 0.75 H new ATOM 0 HG23 VAL A 91 -11.583 5.125 11.395 1.00 0.75 H new ATOM 1342 N PHE A 92 -7.376 4.962 9.673 1.00 0.64 N ATOM 1343 CA PHE A 92 -6.106 4.866 8.905 1.00 0.65 C ATOM 1344 C PHE A 92 -4.961 4.410 9.819 1.00 0.62 C ATOM 1345 O PHE A 92 -4.125 3.624 9.418 1.00 0.67 O ATOM 1346 CB PHE A 92 -5.770 6.234 8.304 1.00 0.65 C ATOM 1347 CG PHE A 92 -4.403 6.182 7.658 1.00 0.65 C ATOM 1348 CD1 PHE A 92 -4.246 5.586 6.401 1.00 1.31 C ATOM 1349 CD2 PHE A 92 -3.295 6.725 8.319 1.00 1.44 C ATOM 1350 CE1 PHE A 92 -2.980 5.534 5.805 1.00 1.31 C ATOM 1351 CE2 PHE A 92 -2.029 6.672 7.724 1.00 1.47 C ATOM 1352 CZ PHE A 92 -1.872 6.077 6.466 1.00 0.73 C ATOM 0 H PHE A 92 -7.870 5.850 9.592 1.00 0.64 H new ATOM 0 HA PHE A 92 -6.230 4.134 8.107 1.00 0.65 H new ATOM 0 HB2 PHE A 92 -6.522 6.513 7.566 1.00 0.65 H new ATOM 0 HB3 PHE A 92 -5.787 6.998 9.081 1.00 0.65 H new ATOM 0 HD1 PHE A 92 -5.101 5.167 5.891 1.00 1.31 H new ATOM 0 HD2 PHE A 92 -3.417 7.185 9.288 1.00 1.44 H new ATOM 0 HE1 PHE A 92 -2.858 5.075 4.835 1.00 1.31 H new ATOM 0 HE2 PHE A 92 -1.174 7.090 8.235 1.00 1.47 H new ATOM 0 HZ PHE A 92 -0.896 6.037 6.006 1.00 0.73 H new ATOM 1362 N PHE A 93 -4.889 4.906 11.031 1.00 0.58 N ATOM 1363 CA PHE A 93 -3.759 4.500 11.932 1.00 0.57 C ATOM 1364 C PHE A 93 -4.126 3.220 12.698 1.00 0.59 C ATOM 1365 O PHE A 93 -3.275 2.400 12.982 1.00 0.60 O ATOM 1366 CB PHE A 93 -3.454 5.643 12.910 1.00 0.57 C ATOM 1367 CG PHE A 93 -2.034 5.544 13.418 1.00 0.56 C ATOM 1368 CD1 PHE A 93 -0.994 6.154 12.708 1.00 1.15 C ATOM 1369 CD2 PHE A 93 -1.761 4.855 14.606 1.00 1.47 C ATOM 1370 CE1 PHE A 93 0.320 6.074 13.184 1.00 1.07 C ATOM 1371 CE2 PHE A 93 -0.447 4.776 15.083 1.00 1.58 C ATOM 1372 CZ PHE A 93 0.594 5.385 14.371 1.00 0.70 C ATOM 0 H PHE A 93 -5.554 5.566 11.434 1.00 0.58 H new ATOM 0 HA PHE A 93 -2.872 4.296 11.333 1.00 0.57 H new ATOM 0 HB2 PHE A 93 -3.603 6.602 12.414 1.00 0.57 H new ATOM 0 HB3 PHE A 93 -4.149 5.607 13.749 1.00 0.57 H new ATOM 0 HD1 PHE A 93 -1.205 6.687 11.793 1.00 1.15 H new ATOM 0 HD2 PHE A 93 -2.564 4.385 15.154 1.00 1.47 H new ATOM 0 HE1 PHE A 93 1.123 6.544 12.635 1.00 1.07 H new ATOM 0 HE2 PHE A 93 -0.236 4.246 16.000 1.00 1.58 H new ATOM 0 HZ PHE A 93 1.608 5.323 14.738 1.00 0.70 H new ATOM 1382 N ARG A 94 -5.375 3.029 13.030 1.00 0.62 N ATOM 1383 CA ARG A 94 -5.758 1.788 13.767 1.00 0.67 C ATOM 1384 C ARG A 94 -5.595 0.586 12.837 1.00 0.66 C ATOM 1385 O ARG A 94 -4.865 -0.337 13.143 1.00 0.67 O ATOM 1386 CB ARG A 94 -7.213 1.887 14.250 1.00 0.72 C ATOM 1387 CG ARG A 94 -7.707 0.533 14.794 1.00 0.89 C ATOM 1388 CD ARG A 94 -6.770 0.022 15.894 1.00 1.00 C ATOM 1389 NE ARG A 94 -6.424 1.141 16.818 1.00 1.95 N ATOM 1390 CZ ARG A 94 -5.909 0.888 17.989 1.00 2.64 C ATOM 1391 NH1 ARG A 94 -5.682 -0.344 18.353 1.00 2.76 N ATOM 1392 NH2 ARG A 94 -5.621 1.871 18.798 1.00 3.65 N ATOM 0 H ARG A 94 -6.141 3.671 12.826 1.00 0.62 H new ATOM 0 HA ARG A 94 -5.113 1.667 14.637 1.00 0.67 H new ATOM 0 HB2 ARG A 94 -7.291 2.646 15.028 1.00 0.72 H new ATOM 0 HB3 ARG A 94 -7.852 2.208 13.427 1.00 0.72 H new ATOM 0 HG2 ARG A 94 -8.717 0.640 15.189 1.00 0.89 H new ATOM 0 HG3 ARG A 94 -7.757 -0.195 13.984 1.00 0.89 H new ATOM 0 HD2 ARG A 94 -7.250 -0.785 16.448 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -5.864 -0.390 15.451 1.00 1.00 H new ATOM 0 HE ARG A 94 -6.591 2.106 16.533 1.00 1.95 H new ATOM 0 HH11 ARG A 94 -5.907 -1.112 17.721 1.00 2.76 H new ATOM 0 HH12 ARG A 94 -5.279 -0.539 19.270 1.00 2.76 H new ATOM 0 HH21 ARG A 94 -5.799 2.834 18.514 1.00 3.65 H new ATOM 0 HH22 ARG A 94 -5.218 1.676 19.715 1.00 3.65 H new ATOM 1406 N VAL A 95 -6.252 0.568 11.709 1.00 0.65 N ATOM 1407 CA VAL A 95 -6.104 -0.594 10.793 1.00 0.66 C ATOM 1408 C VAL A 95 -4.644 -0.741 10.376 1.00 0.66 C ATOM 1409 O VAL A 95 -4.113 -1.832 10.318 1.00 0.67 O ATOM 1410 CB VAL A 95 -6.952 -0.359 9.543 1.00 0.64 C ATOM 1411 CG1 VAL A 95 -6.753 -1.516 8.560 1.00 1.27 C ATOM 1412 CG2 VAL A 95 -8.425 -0.275 9.938 1.00 1.08 C ATOM 0 H VAL A 95 -6.880 1.303 11.385 1.00 0.65 H new ATOM 0 HA VAL A 95 -6.431 -1.499 11.305 1.00 0.66 H new ATOM 0 HB VAL A 95 -6.647 0.574 9.069 1.00 0.64 H new ATOM 0 HG11 VAL A 95 -7.359 -1.346 7.670 1.00 1.27 H new ATOM 0 HG12 VAL A 95 -5.702 -1.577 8.277 1.00 1.27 H new ATOM 0 HG13 VAL A 95 -7.056 -2.451 9.032 1.00 1.27 H new ATOM 0 HG21 VAL A 95 -9.031 -0.107 9.048 1.00 1.08 H new ATOM 0 HG22 VAL A 95 -8.728 -1.208 10.413 1.00 1.08 H new ATOM 0 HG23 VAL A 95 -8.568 0.550 10.635 1.00 1.08 H new ATOM 1422 N ALA A 96 -3.999 0.345 10.051 1.00 0.65 N ATOM 1423 CA ALA A 96 -2.586 0.249 9.604 1.00 0.68 C ATOM 1424 C ALA A 96 -1.740 -0.395 10.703 1.00 0.70 C ATOM 1425 O ALA A 96 -1.035 -1.360 10.495 1.00 0.76 O ATOM 1426 CB ALA A 96 -2.061 1.655 9.304 1.00 0.69 C ATOM 0 H ALA A 96 -4.388 1.288 10.076 1.00 0.65 H new ATOM 0 HA ALA A 96 -2.526 -0.364 8.705 1.00 0.68 H new ATOM 0 HB1 ALA A 96 -1.024 1.594 8.975 1.00 0.69 H new ATOM 0 HB2 ALA A 96 -2.665 2.109 8.518 1.00 0.69 H new ATOM 0 HB3 ALA A 96 -2.120 2.265 10.205 1.00 0.69 H new ATOM 1432 N ALA A 97 -1.831 0.159 11.883 1.00 0.74 N ATOM 1433 CA ALA A 97 -1.057 -0.376 13.038 1.00 0.78 C ATOM 1434 C ALA A 97 -1.323 -1.877 13.165 1.00 0.79 C ATOM 1435 O ALA A 97 -0.456 -2.645 13.535 1.00 0.83 O ATOM 1436 CB ALA A 97 -1.486 0.334 14.323 1.00 0.77 C ATOM 0 H ALA A 97 -2.415 0.968 12.096 1.00 0.74 H new ATOM 0 HA ALA A 97 0.007 -0.203 12.876 1.00 0.78 H new ATOM 0 HB1 ALA A 97 -0.917 -0.061 15.164 1.00 0.77 H new ATOM 0 HB2 ALA A 97 -1.298 1.403 14.228 1.00 0.77 H new ATOM 0 HB3 ALA A 97 -2.549 0.166 14.494 1.00 0.77 H new ATOM 1442 N ASP A 98 -2.518 -2.297 12.859 1.00 0.78 N ATOM 1443 CA ASP A 98 -2.848 -3.745 12.955 1.00 0.82 C ATOM 1444 C ASP A 98 -2.033 -4.522 11.919 1.00 0.83 C ATOM 1445 O ASP A 98 -1.518 -5.587 12.194 1.00 0.88 O ATOM 1446 CB ASP A 98 -4.341 -3.947 12.690 1.00 0.82 C ATOM 1447 CG ASP A 98 -4.720 -5.400 12.987 1.00 1.47 C ATOM 1448 OD1 ASP A 98 -4.300 -6.265 12.237 1.00 2.19 O ATOM 1449 OD2 ASP A 98 -5.424 -5.621 13.958 1.00 2.13 O ATOM 0 H ASP A 98 -3.282 -1.698 12.546 1.00 0.78 H new ATOM 0 HA ASP A 98 -2.606 -4.109 13.954 1.00 0.82 H new ATOM 0 HB2 ASP A 98 -4.927 -3.272 13.314 1.00 0.82 H new ATOM 0 HB3 ASP A 98 -4.573 -3.704 11.653 1.00 0.82 H new ATOM 1454 N MET A 99 -1.923 -4.007 10.722 1.00 0.81 N ATOM 1455 CA MET A 99 -1.153 -4.735 9.671 1.00 0.85 C ATOM 1456 C MET A 99 0.340 -4.689 10.007 1.00 0.97 C ATOM 1457 O MET A 99 1.098 -5.532 9.571 1.00 1.14 O ATOM 1458 CB MET A 99 -1.402 -4.084 8.291 1.00 0.79 C ATOM 1459 CG MET A 99 -2.517 -4.819 7.535 1.00 0.81 C ATOM 1460 SD MET A 99 -2.563 -4.226 5.821 1.00 0.97 S ATOM 1461 CE MET A 99 -4.168 -3.395 5.883 1.00 0.48 C ATOM 0 H MET A 99 -2.330 -3.119 10.428 1.00 0.81 H new ATOM 0 HA MET A 99 -1.483 -5.773 9.637 1.00 0.85 H new ATOM 0 HB2 MET A 99 -1.674 -3.037 8.422 1.00 0.79 H new ATOM 0 HB3 MET A 99 -0.484 -4.104 7.704 1.00 0.79 H new ATOM 0 HG2 MET A 99 -2.340 -5.894 7.556 1.00 0.81 H new ATOM 0 HG3 MET A 99 -3.478 -4.644 8.019 1.00 0.81 H new ATOM 0 HE1 MET A 99 -4.332 -2.851 4.953 1.00 0.48 H new ATOM 0 HE2 MET A 99 -4.957 -4.136 6.015 1.00 0.48 H new ATOM 0 HE3 MET A 99 -4.184 -2.696 6.719 1.00 0.48 H new ATOM 1600 N ARG A 109 1.028 -6.938 3.990 1.00 0.86 N ATOM 1601 CA ARG A 109 0.933 -5.594 4.613 1.00 0.87 C ATOM 1602 C ARG A 109 1.030 -4.498 3.549 1.00 0.70 C ATOM 1603 O ARG A 109 0.168 -3.653 3.440 1.00 0.81 O ATOM 1604 CB ARG A 109 2.118 -5.438 5.601 1.00 1.08 C ATOM 1605 CG ARG A 109 3.380 -6.182 5.077 1.00 1.48 C ATOM 1606 CD ARG A 109 4.646 -5.361 5.366 1.00 1.96 C ATOM 1607 NE ARG A 109 4.867 -5.285 6.839 1.00 2.74 N ATOM 1608 CZ ARG A 109 6.011 -4.862 7.307 1.00 3.19 C ATOM 1609 NH1 ARG A 109 6.950 -4.475 6.488 1.00 3.19 N ATOM 1610 NH2 ARG A 109 6.210 -4.815 8.595 1.00 4.08 N ATOM 0 HA ARG A 109 -0.024 -5.499 5.126 1.00 0.87 H new ATOM 0 HB2 ARG A 109 2.345 -4.381 5.738 1.00 1.08 H new ATOM 0 HB3 ARG A 109 1.837 -5.833 6.577 1.00 1.08 H new ATOM 0 HG2 ARG A 109 3.457 -7.160 5.553 1.00 1.48 H new ATOM 0 HG3 ARG A 109 3.288 -6.355 4.005 1.00 1.48 H new ATOM 0 HD2 ARG A 109 5.508 -5.820 4.882 1.00 1.96 H new ATOM 0 HD3 ARG A 109 4.544 -4.358 4.951 1.00 1.96 H new ATOM 0 HE ARG A 109 4.125 -5.563 7.481 1.00 2.74 H new ATOM 0 HH11 ARG A 109 6.791 -4.502 5.481 1.00 3.19 H new ATOM 0 HH12 ARG A 109 7.843 -4.145 6.855 1.00 3.19 H new ATOM 0 HH21 ARG A 109 5.473 -5.108 9.236 1.00 4.08 H new ATOM 0 HH22 ARG A 109 7.103 -4.485 8.961 1.00 4.08 H new ATOM 1624 N VAL A 110 2.090 -4.490 2.788 1.00 0.60 N ATOM 1625 CA VAL A 110 2.266 -3.429 1.762 1.00 0.68 C ATOM 1626 C VAL A 110 1.105 -3.433 0.769 1.00 0.56 C ATOM 1627 O VAL A 110 0.367 -2.473 0.659 1.00 0.60 O ATOM 1628 CB VAL A 110 3.574 -3.670 1.010 1.00 0.88 C ATOM 1629 CG1 VAL A 110 3.817 -2.521 0.035 1.00 1.27 C ATOM 1630 CG2 VAL A 110 4.731 -3.748 2.007 1.00 1.73 C ATOM 0 H VAL A 110 2.843 -5.176 2.835 1.00 0.60 H new ATOM 0 HA VAL A 110 2.291 -2.461 2.262 1.00 0.68 H new ATOM 0 HB VAL A 110 3.509 -4.608 0.459 1.00 0.88 H new ATOM 0 HG11 VAL A 110 4.750 -2.691 -0.503 1.00 1.27 H new ATOM 0 HG12 VAL A 110 2.993 -2.467 -0.676 1.00 1.27 H new ATOM 0 HG13 VAL A 110 3.882 -1.583 0.587 1.00 1.27 H new ATOM 0 HG21 VAL A 110 5.664 -3.920 1.469 1.00 1.73 H new ATOM 0 HG22 VAL A 110 4.798 -2.811 2.560 1.00 1.73 H new ATOM 0 HG23 VAL A 110 4.557 -4.569 2.703 1.00 1.73 H new ATOM 1640 N VAL A 111 0.957 -4.486 0.016 1.00 0.51 N ATOM 1641 CA VAL A 111 -0.131 -4.522 -0.997 1.00 0.50 C ATOM 1642 C VAL A 111 -1.472 -4.178 -0.349 1.00 0.46 C ATOM 1643 O VAL A 111 -2.253 -3.394 -0.849 1.00 0.47 O ATOM 1644 CB VAL A 111 -0.218 -5.937 -1.572 1.00 0.58 C ATOM 1645 CG1 VAL A 111 -1.287 -5.971 -2.666 1.00 1.41 C ATOM 1646 CG2 VAL A 111 1.136 -6.324 -2.173 1.00 1.36 C ATOM 0 H VAL A 111 1.541 -5.321 0.058 1.00 0.51 H new ATOM 0 HA VAL A 111 0.087 -3.796 -1.780 1.00 0.50 H new ATOM 0 HB VAL A 111 -0.480 -6.640 -0.781 1.00 0.58 H new ATOM 0 HG11 VAL A 111 -1.353 -6.978 -3.079 1.00 1.41 H new ATOM 0 HG12 VAL A 111 -2.251 -5.689 -2.242 1.00 1.41 H new ATOM 0 HG13 VAL A 111 -1.020 -5.271 -3.457 1.00 1.41 H new ATOM 0 HG21 VAL A 111 1.077 -7.332 -2.584 1.00 1.36 H new ATOM 0 HG22 VAL A 111 1.395 -5.623 -2.967 1.00 1.36 H new ATOM 0 HG23 VAL A 111 1.901 -6.292 -1.397 1.00 1.36 H new ATOM 1656 N ALA A 112 -1.734 -4.805 0.772 1.00 0.45 N ATOM 1657 CA ALA A 112 -3.013 -4.591 1.505 1.00 0.47 C ATOM 1658 C ALA A 112 -3.131 -3.149 1.995 1.00 0.46 C ATOM 1659 O ALA A 112 -4.196 -2.717 2.390 1.00 0.54 O ATOM 1660 CB ALA A 112 -3.064 -5.537 2.705 1.00 0.53 C ATOM 0 H ALA A 112 -1.099 -5.469 1.216 1.00 0.45 H new ATOM 0 HA ALA A 112 -3.841 -4.792 0.826 1.00 0.47 H new ATOM 0 HB1 ALA A 112 -3.997 -5.387 3.247 1.00 0.53 H new ATOM 0 HB2 ALA A 112 -3.008 -6.569 2.358 1.00 0.53 H new ATOM 0 HB3 ALA A 112 -2.223 -5.331 3.367 1.00 0.53 H new ATOM 1666 N LEU A 113 -2.067 -2.392 1.981 1.00 0.43 N ATOM 1667 CA LEU A 113 -2.167 -0.978 2.458 1.00 0.43 C ATOM 1668 C LEU A 113 -2.624 -0.099 1.287 1.00 0.42 C ATOM 1669 O LEU A 113 -3.636 0.569 1.357 1.00 0.45 O ATOM 1670 CB LEU A 113 -0.795 -0.517 2.980 1.00 0.44 C ATOM 1671 CG LEU A 113 -0.966 0.540 4.073 1.00 0.51 C ATOM 1672 CD1 LEU A 113 0.411 1.061 4.488 1.00 1.45 C ATOM 1673 CD2 LEU A 113 -1.811 1.700 3.540 1.00 1.27 C ATOM 0 H LEU A 113 -1.143 -2.684 1.664 1.00 0.43 H new ATOM 0 HA LEU A 113 -2.889 -0.898 3.270 1.00 0.43 H new ATOM 0 HB2 LEU A 113 -0.244 -1.371 3.374 1.00 0.44 H new ATOM 0 HB3 LEU A 113 -0.206 -0.108 2.159 1.00 0.44 H new ATOM 0 HG LEU A 113 -1.467 0.097 4.934 1.00 0.51 H new ATOM 0 HD11 LEU A 113 0.295 1.815 5.267 1.00 1.45 H new ATOM 0 HD12 LEU A 113 1.013 0.236 4.868 1.00 1.45 H new ATOM 0 HD13 LEU A 113 0.908 1.504 3.625 1.00 1.45 H new ATOM 0 HD21 LEU A 113 -1.931 2.451 4.321 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -1.313 2.147 2.679 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -2.791 1.329 3.240 1.00 1.27 H new ATOM 1685 N PHE A 114 -1.889 -0.103 0.211 1.00 0.40 N ATOM 1686 CA PHE A 114 -2.282 0.721 -0.967 1.00 0.40 C ATOM 1687 C PHE A 114 -3.745 0.456 -1.347 1.00 0.39 C ATOM 1688 O PHE A 114 -4.481 1.360 -1.686 1.00 0.41 O ATOM 1689 CB PHE A 114 -1.382 0.382 -2.161 1.00 0.41 C ATOM 1690 CG PHE A 114 0.090 0.401 -1.770 1.00 0.44 C ATOM 1691 CD1 PHE A 114 0.578 1.278 -0.779 1.00 1.29 C ATOM 1692 CD2 PHE A 114 0.978 -0.463 -2.424 1.00 1.27 C ATOM 1693 CE1 PHE A 114 1.938 1.277 -0.453 1.00 1.38 C ATOM 1694 CE2 PHE A 114 2.338 -0.457 -2.095 1.00 1.27 C ATOM 1695 CZ PHE A 114 2.817 0.411 -1.109 1.00 0.68 C ATOM 0 H PHE A 114 -1.031 -0.642 0.095 1.00 0.40 H new ATOM 0 HA PHE A 114 -2.168 1.773 -0.705 1.00 0.40 H new ATOM 0 HB2 PHE A 114 -1.644 -0.602 -2.549 1.00 0.41 H new ATOM 0 HB3 PHE A 114 -1.556 1.098 -2.965 1.00 0.41 H new ATOM 0 HD1 PHE A 114 -0.098 1.950 -0.272 1.00 1.29 H new ATOM 0 HD2 PHE A 114 0.611 -1.136 -3.185 1.00 1.27 H new ATOM 0 HE1 PHE A 114 2.310 1.947 0.308 1.00 1.38 H new ATOM 0 HE2 PHE A 114 3.019 -1.124 -2.603 1.00 1.27 H new ATOM 0 HZ PHE A 114 3.867 0.412 -0.854 1.00 0.68 H new ATOM 1705 N TYR A 115 -4.162 -0.781 -1.314 1.00 0.40 N ATOM 1706 CA TYR A 115 -5.567 -1.113 -1.695 1.00 0.41 C ATOM 1707 C TYR A 115 -6.565 -0.570 -0.665 1.00 0.41 C ATOM 1708 O TYR A 115 -7.535 0.074 -1.017 1.00 0.44 O ATOM 1709 CB TYR A 115 -5.718 -2.635 -1.801 1.00 0.44 C ATOM 1710 CG TYR A 115 -7.163 -2.993 -2.068 1.00 0.47 C ATOM 1711 CD1 TYR A 115 -8.070 -3.091 -1.005 1.00 1.24 C ATOM 1712 CD2 TYR A 115 -7.593 -3.227 -3.379 1.00 1.28 C ATOM 1713 CE1 TYR A 115 -9.407 -3.424 -1.255 1.00 1.26 C ATOM 1714 CE2 TYR A 115 -8.930 -3.558 -3.628 1.00 1.32 C ATOM 1715 CZ TYR A 115 -9.837 -3.657 -2.567 1.00 0.61 C ATOM 1716 OH TYR A 115 -11.155 -3.984 -2.814 1.00 0.70 O ATOM 0 H TYR A 115 -3.589 -1.579 -1.039 1.00 0.40 H new ATOM 0 HA TYR A 115 -5.782 -0.646 -2.656 1.00 0.41 H new ATOM 0 HB2 TYR A 115 -5.086 -3.017 -2.603 1.00 0.44 H new ATOM 0 HB3 TYR A 115 -5.382 -3.107 -0.878 1.00 0.44 H new ATOM 0 HD1 TYR A 115 -7.738 -2.910 0.007 1.00 1.24 H new ATOM 0 HD2 TYR A 115 -6.893 -3.152 -4.198 1.00 1.28 H new ATOM 0 HE1 TYR A 115 -10.107 -3.501 -0.436 1.00 1.26 H new ATOM 0 HE2 TYR A 115 -9.262 -3.737 -4.640 1.00 1.32 H new ATOM 0 HH TYR A 115 -11.286 -4.111 -3.777 1.00 0.70 H new ATOM 1726 N PHE A 116 -6.358 -0.823 0.596 1.00 0.38 N ATOM 1727 CA PHE A 116 -7.330 -0.310 1.602 1.00 0.38 C ATOM 1728 C PHE A 116 -7.484 1.204 1.417 1.00 0.36 C ATOM 1729 O PHE A 116 -8.578 1.741 1.434 1.00 0.35 O ATOM 1730 CB PHE A 116 -6.817 -0.605 3.021 1.00 0.40 C ATOM 1731 CG PHE A 116 -7.667 0.128 4.045 1.00 0.37 C ATOM 1732 CD1 PHE A 116 -8.952 -0.340 4.371 1.00 1.17 C ATOM 1733 CD2 PHE A 116 -7.168 1.280 4.669 1.00 1.35 C ATOM 1734 CE1 PHE A 116 -9.727 0.345 5.315 1.00 1.18 C ATOM 1735 CE2 PHE A 116 -7.945 1.962 5.613 1.00 1.37 C ATOM 1736 CZ PHE A 116 -9.224 1.494 5.935 1.00 0.45 C ATOM 0 H PHE A 116 -5.572 -1.354 0.971 1.00 0.38 H new ATOM 0 HA PHE A 116 -8.293 -0.801 1.464 1.00 0.38 H new ATOM 0 HB2 PHE A 116 -6.848 -1.678 3.212 1.00 0.40 H new ATOM 0 HB3 PHE A 116 -5.776 -0.295 3.112 1.00 0.40 H new ATOM 0 HD1 PHE A 116 -9.341 -1.227 3.894 1.00 1.17 H new ATOM 0 HD2 PHE A 116 -6.181 1.642 4.421 1.00 1.35 H new ATOM 0 HE1 PHE A 116 -10.714 -0.014 5.565 1.00 1.18 H new ATOM 0 HE2 PHE A 116 -7.558 2.849 6.092 1.00 1.37 H new ATOM 0 HZ PHE A 116 -9.823 2.020 6.663 1.00 0.45 H new ATOM 1746 N ALA A 117 -6.390 1.896 1.234 1.00 0.35 N ATOM 1747 CA ALA A 117 -6.466 3.369 1.044 1.00 0.34 C ATOM 1748 C ALA A 117 -7.089 3.688 -0.315 1.00 0.34 C ATOM 1749 O ALA A 117 -7.749 4.693 -0.476 1.00 0.34 O ATOM 1750 CB ALA A 117 -5.064 3.979 1.110 1.00 0.37 C ATOM 0 H ALA A 117 -5.449 1.502 1.208 1.00 0.35 H new ATOM 0 HA ALA A 117 -7.084 3.792 1.836 1.00 0.34 H new ATOM 0 HB1 ALA A 117 -5.130 5.058 0.970 1.00 0.37 H new ATOM 0 HB2 ALA A 117 -4.620 3.766 2.082 1.00 0.37 H new ATOM 0 HB3 ALA A 117 -4.442 3.548 0.325 1.00 0.37 H new ATOM 1756 N SER A 118 -6.892 2.849 -1.298 1.00 0.35 N ATOM 1757 CA SER A 118 -7.478 3.126 -2.637 1.00 0.37 C ATOM 1758 C SER A 118 -8.970 3.418 -2.498 1.00 0.36 C ATOM 1759 O SER A 118 -9.507 4.299 -3.139 1.00 0.36 O ATOM 1760 CB SER A 118 -7.283 1.905 -3.538 1.00 0.42 C ATOM 1761 OG SER A 118 -8.219 0.899 -3.173 1.00 1.25 O ATOM 0 H SER A 118 -6.352 1.987 -1.229 1.00 0.35 H new ATOM 0 HA SER A 118 -6.981 3.991 -3.076 1.00 0.37 H new ATOM 0 HB2 SER A 118 -7.420 2.184 -4.583 1.00 0.42 H new ATOM 0 HB3 SER A 118 -6.266 1.525 -3.440 1.00 0.42 H new ATOM 0 HG SER A 118 -8.244 0.814 -2.197 1.00 1.25 H new ATOM 1767 N LYS A 119 -9.635 2.697 -1.638 1.00 0.37 N ATOM 1768 CA LYS A 119 -11.086 2.944 -1.422 1.00 0.39 C ATOM 1769 C LYS A 119 -11.246 4.285 -0.700 1.00 0.36 C ATOM 1770 O LYS A 119 -12.023 5.120 -1.109 1.00 0.38 O ATOM 1771 CB LYS A 119 -11.681 1.818 -0.565 1.00 0.46 C ATOM 1772 CG LYS A 119 -11.164 0.453 -1.045 1.00 1.29 C ATOM 1773 CD LYS A 119 -11.530 0.209 -2.519 1.00 1.84 C ATOM 1774 CE LYS A 119 -13.041 0.375 -2.733 1.00 2.48 C ATOM 1775 NZ LYS A 119 -13.457 -0.384 -3.947 1.00 3.36 N ATOM 0 H LYS A 119 -9.234 1.947 -1.075 1.00 0.37 H new ATOM 0 HA LYS A 119 -11.608 2.970 -2.378 1.00 0.39 H new ATOM 0 HB2 LYS A 119 -11.414 1.968 0.481 1.00 0.46 H new ATOM 0 HB3 LYS A 119 -12.769 1.843 -0.623 1.00 0.46 H new ATOM 0 HG2 LYS A 119 -10.082 0.407 -0.924 1.00 1.29 H new ATOM 0 HG3 LYS A 119 -11.588 -0.338 -0.426 1.00 1.29 H new ATOM 0 HD2 LYS A 119 -10.988 0.909 -3.155 1.00 1.84 H new ATOM 0 HD3 LYS A 119 -11.223 -0.794 -2.815 1.00 1.84 H new ATOM 0 HE2 LYS A 119 -13.585 0.013 -1.860 1.00 2.48 H new ATOM 0 HE3 LYS A 119 -13.289 1.430 -2.848 1.00 2.48 H new ATOM 0 HZ1 LYS A 119 -14.433 -0.722 -3.828 1.00 3.36 H new ATOM 0 HZ2 LYS A 119 -13.405 0.237 -4.780 1.00 3.36 H new ATOM 0 HZ3 LYS A 119 -12.823 -1.198 -4.082 1.00 3.36 H new ATOM 1789 N LEU A 120 -10.505 4.512 0.352 1.00 0.36 N ATOM 1790 CA LEU A 120 -10.617 5.821 1.068 1.00 0.35 C ATOM 1791 C LEU A 120 -10.456 6.956 0.040 1.00 0.33 C ATOM 1792 O LEU A 120 -11.220 7.899 0.005 1.00 0.39 O ATOM 1793 CB LEU A 120 -9.508 5.900 2.147 1.00 0.36 C ATOM 1794 CG LEU A 120 -10.077 6.427 3.475 1.00 0.68 C ATOM 1795 CD1 LEU A 120 -9.015 6.312 4.570 1.00 1.69 C ATOM 1796 CD2 LEU A 120 -10.482 7.895 3.314 1.00 1.28 C ATOM 0 H LEU A 120 -9.832 3.855 0.746 1.00 0.36 H new ATOM 0 HA LEU A 120 -11.587 5.915 1.555 1.00 0.35 H new ATOM 0 HB2 LEU A 120 -9.071 4.913 2.299 1.00 0.36 H new ATOM 0 HB3 LEU A 120 -8.706 6.554 1.804 1.00 0.36 H new ATOM 0 HG LEU A 120 -10.950 5.836 3.751 1.00 0.68 H new ATOM 0 HD11 LEU A 120 -9.420 6.686 5.510 1.00 1.69 H new ATOM 0 HD12 LEU A 120 -8.727 5.268 4.689 1.00 1.69 H new ATOM 0 HD13 LEU A 120 -8.141 6.900 4.292 1.00 1.69 H new ATOM 0 HD21 LEU A 120 -10.885 8.267 4.256 1.00 1.28 H new ATOM 0 HD22 LEU A 120 -9.609 8.485 3.035 1.00 1.28 H new ATOM 0 HD23 LEU A 120 -11.241 7.980 2.536 1.00 1.28 H new ATOM 1808 N VAL A 121 -9.477 6.836 -0.813 1.00 0.33 N ATOM 1809 CA VAL A 121 -9.241 7.854 -1.881 1.00 0.39 C ATOM 1810 C VAL A 121 -10.423 7.889 -2.852 1.00 0.36 C ATOM 1811 O VAL A 121 -11.038 8.915 -3.062 1.00 0.39 O ATOM 1812 CB VAL A 121 -7.985 7.464 -2.659 1.00 0.54 C ATOM 1813 CG1 VAL A 121 -7.749 8.476 -3.785 1.00 0.95 C ATOM 1814 CG2 VAL A 121 -6.781 7.473 -1.715 1.00 1.18 C ATOM 0 H VAL A 121 -8.816 6.059 -0.816 1.00 0.33 H new ATOM 0 HA VAL A 121 -9.125 8.835 -1.420 1.00 0.39 H new ATOM 0 HB VAL A 121 -8.114 6.468 -3.082 1.00 0.54 H new ATOM 0 HG11 VAL A 121 -6.853 8.199 -4.341 1.00 0.95 H new ATOM 0 HG12 VAL A 121 -8.607 8.479 -4.457 1.00 0.95 H new ATOM 0 HG13 VAL A 121 -7.619 9.471 -3.359 1.00 0.95 H new ATOM 0 HG21 VAL A 121 -5.883 7.195 -2.267 1.00 1.18 H new ATOM 0 HG22 VAL A 121 -6.655 8.471 -1.296 1.00 1.18 H new ATOM 0 HG23 VAL A 121 -6.946 6.759 -0.908 1.00 1.18 H new ATOM 1824 N LEU A 122 -10.734 6.775 -3.454 1.00 0.37 N ATOM 1825 CA LEU A 122 -11.866 6.737 -4.424 1.00 0.39 C ATOM 1826 C LEU A 122 -13.171 7.074 -3.699 1.00 0.40 C ATOM 1827 O LEU A 122 -13.972 7.858 -4.171 1.00 0.40 O ATOM 1828 CB LEU A 122 -11.958 5.327 -5.054 1.00 0.42 C ATOM 1829 CG LEU A 122 -11.214 5.289 -6.395 1.00 0.72 C ATOM 1830 CD1 LEU A 122 -9.720 5.520 -6.163 1.00 1.15 C ATOM 1831 CD2 LEU A 122 -11.421 3.922 -7.050 1.00 1.24 C ATOM 0 H LEU A 122 -10.252 5.887 -3.316 1.00 0.37 H new ATOM 0 HA LEU A 122 -11.698 7.470 -5.213 1.00 0.39 H new ATOM 0 HB2 LEU A 122 -11.532 4.590 -4.374 1.00 0.42 H new ATOM 0 HB3 LEU A 122 -13.003 5.056 -5.203 1.00 0.42 H new ATOM 0 HG LEU A 122 -11.603 6.072 -7.047 1.00 0.72 H new ATOM 0 HD11 LEU A 122 -9.195 5.492 -7.118 1.00 1.15 H new ATOM 0 HD12 LEU A 122 -9.571 6.493 -5.695 1.00 1.15 H new ATOM 0 HD13 LEU A 122 -9.328 4.740 -5.511 1.00 1.15 H new ATOM 0 HD21 LEU A 122 -10.893 3.892 -8.003 1.00 1.24 H new ATOM 0 HD22 LEU A 122 -11.032 3.142 -6.395 1.00 1.24 H new ATOM 0 HD23 LEU A 122 -12.485 3.757 -7.219 1.00 1.24 H new ATOM 1843 N LYS A 123 -13.388 6.496 -2.552 1.00 0.51 N ATOM 1844 CA LYS A 123 -14.636 6.796 -1.802 1.00 0.55 C ATOM 1845 C LYS A 123 -14.772 8.311 -1.647 1.00 0.54 C ATOM 1846 O LYS A 123 -15.857 8.854 -1.701 1.00 0.55 O ATOM 1847 CB LYS A 123 -14.581 6.153 -0.409 1.00 0.59 C ATOM 1848 CG LYS A 123 -14.777 4.627 -0.513 1.00 0.97 C ATOM 1849 CD LYS A 123 -16.272 4.283 -0.472 1.00 1.37 C ATOM 1850 CE LYS A 123 -16.457 2.785 -0.710 1.00 1.74 C ATOM 1851 NZ LYS A 123 -16.105 2.459 -2.121 1.00 2.32 N ATOM 0 H LYS A 123 -12.758 5.831 -2.103 1.00 0.51 H new ATOM 0 HA LYS A 123 -15.489 6.394 -2.349 1.00 0.55 H new ATOM 0 HB2 LYS A 123 -13.623 6.372 0.062 1.00 0.59 H new ATOM 0 HB3 LYS A 123 -15.354 6.583 0.228 1.00 0.59 H new ATOM 0 HG2 LYS A 123 -14.336 4.258 -1.439 1.00 0.97 H new ATOM 0 HG3 LYS A 123 -14.259 4.129 0.307 1.00 0.97 H new ATOM 0 HD2 LYS A 123 -16.694 4.564 0.493 1.00 1.37 H new ATOM 0 HD3 LYS A 123 -16.808 4.852 -1.232 1.00 1.37 H new ATOM 0 HE2 LYS A 123 -15.827 2.217 -0.026 1.00 1.74 H new ATOM 0 HE3 LYS A 123 -17.489 2.498 -0.506 1.00 1.74 H new ATOM 0 HZ1 LYS A 123 -16.910 1.986 -2.579 1.00 2.32 H new ATOM 0 HZ2 LYS A 123 -15.880 3.335 -2.634 1.00 2.32 H new ATOM 0 HZ3 LYS A 123 -15.279 1.828 -2.136 1.00 2.32 H new ATOM 1865 N ALA A 124 -13.679 9.000 -1.421 1.00 0.52 N ATOM 1866 CA ALA A 124 -13.767 10.475 -1.227 1.00 0.52 C ATOM 1867 C ALA A 124 -13.988 11.179 -2.571 1.00 0.51 C ATOM 1868 O ALA A 124 -14.571 12.243 -2.637 1.00 0.54 O ATOM 1869 CB ALA A 124 -12.496 11.000 -0.569 1.00 0.51 C ATOM 0 H ALA A 124 -12.740 8.606 -1.364 1.00 0.52 H new ATOM 0 HA ALA A 124 -14.615 10.686 -0.576 1.00 0.52 H new ATOM 0 HB1 ALA A 124 -12.575 12.079 -0.434 1.00 0.51 H new ATOM 0 HB2 ALA A 124 -12.364 10.521 0.401 1.00 0.51 H new ATOM 0 HB3 ALA A 124 -11.639 10.776 -1.203 1.00 0.51 H new ATOM 1875 N LEU A 125 -13.516 10.593 -3.641 1.00 0.47 N ATOM 1876 CA LEU A 125 -13.680 11.223 -4.986 1.00 0.47 C ATOM 1877 C LEU A 125 -15.174 11.441 -5.283 1.00 0.48 C ATOM 1878 O LEU A 125 -15.573 12.473 -5.785 1.00 0.48 O ATOM 1879 CB LEU A 125 -13.057 10.297 -6.048 1.00 0.51 C ATOM 1880 CG LEU A 125 -12.508 11.118 -7.224 1.00 0.49 C ATOM 1881 CD1 LEU A 125 -12.012 10.167 -8.318 1.00 1.10 C ATOM 1882 CD2 LEU A 125 -13.611 12.021 -7.792 1.00 1.21 C ATOM 0 H LEU A 125 -13.022 9.701 -3.641 1.00 0.47 H new ATOM 0 HA LEU A 125 -13.178 12.191 -5.005 1.00 0.47 H new ATOM 0 HB2 LEU A 125 -12.255 9.710 -5.601 1.00 0.51 H new ATOM 0 HB3 LEU A 125 -13.806 9.591 -6.408 1.00 0.51 H new ATOM 0 HG LEU A 125 -11.683 11.739 -6.875 1.00 0.49 H new ATOM 0 HD11 LEU A 125 -11.622 10.747 -9.154 1.00 1.10 H new ATOM 0 HD12 LEU A 125 -11.222 9.531 -7.917 1.00 1.10 H new ATOM 0 HD13 LEU A 125 -12.839 9.545 -8.662 1.00 1.10 H new ATOM 0 HD21 LEU A 125 -13.214 12.600 -8.626 1.00 1.21 H new ATOM 0 HD22 LEU A 125 -14.441 11.406 -8.140 1.00 1.21 H new ATOM 0 HD23 LEU A 125 -13.963 12.699 -7.014 1.00 1.21 H new ATOM 1894 N CYS A 126 -16.002 10.481 -4.972 1.00 0.52 N ATOM 1895 CA CYS A 126 -17.464 10.648 -5.235 1.00 0.57 C ATOM 1896 C CYS A 126 -17.985 11.811 -4.386 1.00 0.57 C ATOM 1897 O CYS A 126 -18.629 12.719 -4.868 1.00 0.68 O ATOM 1898 CB CYS A 126 -18.208 9.335 -4.903 1.00 0.66 C ATOM 1899 SG CYS A 126 -18.676 9.277 -3.149 1.00 1.67 S ATOM 0 H CYS A 126 -15.734 9.592 -4.549 1.00 0.52 H new ATOM 0 HA CYS A 126 -17.638 10.873 -6.287 1.00 0.57 H new ATOM 0 HB2 CYS A 126 -19.100 9.251 -5.524 1.00 0.66 H new ATOM 0 HB3 CYS A 126 -17.572 8.482 -5.142 1.00 0.66 H new ATOM 0 HG CYS A 126 -17.613 9.104 -2.422 1.00 1.67 H new ATOM 1905 N THR A 127 -17.684 11.783 -3.128 1.00 0.57 N ATOM 1906 CA THR A 127 -18.121 12.874 -2.225 1.00 0.60 C ATOM 1907 C THR A 127 -17.674 14.233 -2.808 1.00 0.62 C ATOM 1908 O THR A 127 -18.137 15.279 -2.396 1.00 0.70 O ATOM 1909 CB THR A 127 -17.454 12.665 -0.848 1.00 0.60 C ATOM 1910 OG1 THR A 127 -16.295 11.890 -0.976 1.00 1.14 O ATOM 1911 CG2 THR A 127 -18.425 12.024 0.145 1.00 1.19 C ATOM 0 H THR A 127 -17.147 11.042 -2.678 1.00 0.57 H new ATOM 0 HA THR A 127 -19.206 12.865 -2.124 1.00 0.60 H new ATOM 0 HB THR A 127 -17.175 13.644 -0.458 1.00 0.60 H new ATOM 0 HG1 THR A 127 -15.562 12.450 -1.306 1.00 1.14 H new ATOM 0 HG21 THR A 127 -17.927 11.889 1.105 1.00 1.19 H new ATOM 0 HG22 THR A 127 -19.293 12.670 0.274 1.00 1.19 H new ATOM 0 HG23 THR A 127 -18.748 11.055 -0.236 1.00 1.19 H new ATOM 1919 N LYS A 128 -16.757 14.213 -3.752 1.00 0.60 N ATOM 1920 CA LYS A 128 -16.250 15.488 -4.365 1.00 0.70 C ATOM 1921 C LYS A 128 -15.641 16.391 -3.292 1.00 0.61 C ATOM 1922 O LYS A 128 -16.115 17.484 -3.048 1.00 0.60 O ATOM 1923 CB LYS A 128 -17.354 16.264 -5.100 1.00 0.87 C ATOM 1924 CG LYS A 128 -17.740 15.579 -6.410 1.00 1.12 C ATOM 1925 CD LYS A 128 -18.991 16.268 -6.975 1.00 1.43 C ATOM 1926 CE LYS A 128 -19.185 15.881 -8.442 1.00 1.83 C ATOM 1927 NZ LYS A 128 -18.118 16.513 -9.267 1.00 2.47 N ATOM 0 H LYS A 128 -16.336 13.363 -4.126 1.00 0.60 H new ATOM 0 HA LYS A 128 -15.491 15.203 -5.094 1.00 0.70 H new ATOM 0 HB2 LYS A 128 -18.231 16.346 -4.459 1.00 0.87 H new ATOM 0 HB3 LYS A 128 -17.013 17.279 -5.305 1.00 0.87 H new ATOM 0 HG2 LYS A 128 -16.919 15.640 -7.125 1.00 1.12 H new ATOM 0 HG3 LYS A 128 -17.936 14.520 -6.240 1.00 1.12 H new ATOM 0 HD2 LYS A 128 -19.868 15.980 -6.395 1.00 1.43 H new ATOM 0 HD3 LYS A 128 -18.892 17.350 -6.886 1.00 1.43 H new ATOM 0 HE2 LYS A 128 -19.150 14.797 -8.551 1.00 1.83 H new ATOM 0 HE3 LYS A 128 -20.167 16.205 -8.788 1.00 1.83 H new ATOM 0 HZ1 LYS A 128 -18.448 16.606 -10.249 1.00 2.47 H new ATOM 0 HZ2 LYS A 128 -17.896 17.455 -8.885 1.00 2.47 H new ATOM 0 HZ3 LYS A 128 -17.264 15.920 -9.243 1.00 2.47 H new ATOM 1941 N VAL A 129 -14.547 15.970 -2.693 1.00 0.60 N ATOM 1942 CA VAL A 129 -13.841 16.819 -1.683 1.00 0.53 C ATOM 1943 C VAL A 129 -12.346 16.716 -2.004 1.00 0.53 C ATOM 1944 O VAL A 129 -11.618 16.046 -1.299 1.00 0.56 O ATOM 1945 CB VAL A 129 -14.090 16.263 -0.283 1.00 0.57 C ATOM 1946 CG1 VAL A 129 -13.546 17.225 0.772 1.00 1.40 C ATOM 1947 CG2 VAL A 129 -15.588 16.062 -0.090 1.00 1.22 C ATOM 0 H VAL A 129 -14.112 15.064 -2.865 1.00 0.60 H new ATOM 0 HA VAL A 129 -14.193 17.850 -1.717 1.00 0.53 H new ATOM 0 HB VAL A 129 -13.576 15.308 -0.172 1.00 0.57 H new ATOM 0 HG11 VAL A 129 -13.730 16.817 1.766 1.00 1.40 H new ATOM 0 HG12 VAL A 129 -12.474 17.356 0.626 1.00 1.40 H new ATOM 0 HG13 VAL A 129 -14.046 18.189 0.678 1.00 1.40 H new ATOM 0 HG21 VAL A 129 -15.776 15.665 0.907 1.00 1.22 H new ATOM 0 HG22 VAL A 129 -16.101 17.017 -0.203 1.00 1.22 H new ATOM 0 HG23 VAL A 129 -15.960 15.360 -0.836 1.00 1.22 H new ATOM 1957 N PRO A 130 -11.929 17.317 -3.096 1.00 0.62 N ATOM 1958 CA PRO A 130 -10.530 17.209 -3.531 1.00 0.73 C ATOM 1959 C PRO A 130 -9.544 17.673 -2.450 1.00 0.65 C ATOM 1960 O PRO A 130 -8.362 17.366 -2.532 1.00 0.64 O ATOM 1961 CB PRO A 130 -10.431 18.048 -4.818 1.00 1.00 C ATOM 1962 CG PRO A 130 -11.851 18.621 -5.110 1.00 1.00 C ATOM 1963 CD PRO A 130 -12.789 18.147 -3.975 1.00 0.75 C ATOM 0 HA PRO A 130 -10.253 16.171 -3.716 1.00 0.73 H new ATOM 0 HB2 PRO A 130 -9.709 18.855 -4.696 1.00 1.00 H new ATOM 0 HB3 PRO A 130 -10.086 17.435 -5.650 1.00 1.00 H new ATOM 0 HG2 PRO A 130 -11.823 19.710 -5.154 1.00 1.00 H new ATOM 0 HG3 PRO A 130 -12.213 18.272 -6.077 1.00 1.00 H new ATOM 0 HD2 PRO A 130 -13.211 18.992 -3.432 1.00 0.75 H new ATOM 0 HD3 PRO A 130 -13.626 17.570 -4.368 1.00 0.75 H new ATOM 1971 N GLU A 131 -9.973 18.391 -1.432 1.00 0.73 N ATOM 1972 CA GLU A 131 -8.968 18.825 -0.406 1.00 0.82 C ATOM 1973 C GLU A 131 -8.684 17.618 0.504 1.00 0.72 C ATOM 1974 O GLU A 131 -7.698 17.563 1.212 1.00 0.73 O ATOM 1975 CB GLU A 131 -9.513 20.037 0.363 1.00 1.09 C ATOM 1976 CG GLU A 131 -8.541 20.493 1.451 1.00 1.55 C ATOM 1977 CD GLU A 131 -9.232 21.550 2.318 1.00 2.17 C ATOM 1978 OE1 GLU A 131 -10.286 21.251 2.856 1.00 2.52 O ATOM 1979 OE2 GLU A 131 -8.698 22.642 2.424 1.00 2.86 O ATOM 0 H GLU A 131 -10.936 18.685 -1.271 1.00 0.73 H new ATOM 0 HA GLU A 131 -8.030 19.143 -0.862 1.00 0.82 H new ATOM 0 HB2 GLU A 131 -9.695 20.858 -0.331 1.00 1.09 H new ATOM 0 HB3 GLU A 131 -10.472 19.782 0.814 1.00 1.09 H new ATOM 0 HG2 GLU A 131 -8.234 19.645 2.063 1.00 1.55 H new ATOM 0 HG3 GLU A 131 -7.638 20.905 1.002 1.00 1.55 H new ATOM 1986 N LEU A 132 -9.532 16.623 0.436 1.00 0.71 N ATOM 1987 CA LEU A 132 -9.330 15.384 1.235 1.00 0.69 C ATOM 1988 C LEU A 132 -8.406 14.431 0.450 1.00 0.58 C ATOM 1989 O LEU A 132 -7.559 13.776 1.022 1.00 0.59 O ATOM 1990 CB LEU A 132 -10.687 14.728 1.524 1.00 0.80 C ATOM 1991 CG LEU A 132 -10.516 13.547 2.490 1.00 0.60 C ATOM 1992 CD1 LEU A 132 -9.995 14.030 3.860 1.00 1.11 C ATOM 1993 CD2 LEU A 132 -11.869 12.850 2.675 1.00 0.77 C ATOM 0 H LEU A 132 -10.367 16.620 -0.149 1.00 0.71 H new ATOM 0 HA LEU A 132 -8.861 15.621 2.190 1.00 0.69 H new ATOM 0 HB2 LEU A 132 -11.369 15.462 1.954 1.00 0.80 H new ATOM 0 HB3 LEU A 132 -11.137 14.382 0.593 1.00 0.80 H new ATOM 0 HG LEU A 132 -9.789 12.852 2.070 1.00 0.60 H new ATOM 0 HD11 LEU A 132 -9.882 13.176 4.528 1.00 1.11 H new ATOM 0 HD12 LEU A 132 -9.030 14.520 3.730 1.00 1.11 H new ATOM 0 HD13 LEU A 132 -10.705 14.736 4.291 1.00 1.11 H new ATOM 0 HD21 LEU A 132 -11.755 12.010 3.360 1.00 0.77 H new ATOM 0 HD22 LEU A 132 -12.590 13.557 3.085 1.00 0.77 H new ATOM 0 HD23 LEU A 132 -12.226 12.486 1.711 1.00 0.77 H new ATOM 2005 N ILE A 133 -8.527 14.373 -0.849 1.00 0.52 N ATOM 2006 CA ILE A 133 -7.620 13.493 -1.658 1.00 0.46 C ATOM 2007 C ILE A 133 -6.161 13.814 -1.328 1.00 0.43 C ATOM 2008 O ILE A 133 -5.391 12.944 -0.975 1.00 0.46 O ATOM 2009 CB ILE A 133 -7.899 13.754 -3.149 1.00 0.45 C ATOM 2010 CG1 ILE A 133 -9.403 13.545 -3.437 1.00 0.42 C ATOM 2011 CG2 ILE A 133 -7.084 12.789 -4.015 1.00 0.49 C ATOM 2012 CD1 ILE A 133 -9.894 12.223 -2.851 1.00 1.19 C ATOM 0 H ILE A 133 -9.215 14.897 -1.390 1.00 0.52 H new ATOM 0 HA ILE A 133 -7.802 12.444 -1.426 1.00 0.46 H new ATOM 0 HB ILE A 133 -7.614 14.779 -3.387 1.00 0.45 H new ATOM 0 HG12 ILE A 133 -9.976 14.370 -3.013 1.00 0.42 H new ATOM 0 HG13 ILE A 133 -9.576 13.556 -4.513 1.00 0.42 H new ATOM 0 HG21 ILE A 133 -7.289 12.983 -5.068 1.00 0.49 H new ATOM 0 HG22 ILE A 133 -6.021 12.934 -3.820 1.00 0.49 H new ATOM 0 HG23 ILE A 133 -7.360 11.762 -3.775 1.00 0.49 H new ATOM 0 HD11 ILE A 133 -10.955 12.101 -3.068 1.00 1.19 H new ATOM 0 HD12 ILE A 133 -9.336 11.399 -3.295 1.00 1.19 H new ATOM 0 HD13 ILE A 133 -9.742 12.225 -1.772 1.00 1.19 H new ATOM 2024 N ARG A 134 -5.778 15.061 -1.404 1.00 0.42 N ATOM 2025 CA ARG A 134 -4.372 15.431 -1.048 1.00 0.43 C ATOM 2026 C ARG A 134 -4.126 15.145 0.440 1.00 0.40 C ATOM 2027 O ARG A 134 -3.047 14.738 0.822 1.00 0.39 O ATOM 2028 CB ARG A 134 -4.133 16.921 -1.319 1.00 0.51 C ATOM 2029 CG ARG A 134 -2.631 17.222 -1.212 1.00 1.26 C ATOM 2030 CD ARG A 134 -2.366 18.688 -1.562 1.00 1.57 C ATOM 2031 NE ARG A 134 -0.897 18.945 -1.527 1.00 2.30 N ATOM 2032 CZ ARG A 134 -0.409 20.029 -2.065 1.00 2.86 C ATOM 2033 NH1 ARG A 134 -1.207 20.891 -2.633 1.00 2.98 N ATOM 2034 NH2 ARG A 134 0.877 20.251 -2.035 1.00 3.71 N ATOM 0 H ARG A 134 -6.372 15.837 -1.695 1.00 0.42 H new ATOM 0 HA ARG A 134 -3.688 14.840 -1.657 1.00 0.43 H new ATOM 0 HB2 ARG A 134 -4.499 17.185 -2.311 1.00 0.51 H new ATOM 0 HB3 ARG A 134 -4.689 17.526 -0.603 1.00 0.51 H new ATOM 0 HG2 ARG A 134 -2.280 17.011 -0.202 1.00 1.26 H new ATOM 0 HG3 ARG A 134 -2.072 16.572 -1.885 1.00 1.26 H new ATOM 0 HD2 ARG A 134 -2.763 18.915 -2.551 1.00 1.57 H new ATOM 0 HD3 ARG A 134 -2.878 19.341 -0.855 1.00 1.57 H new ATOM 0 HE ARG A 134 -0.273 18.272 -1.082 1.00 2.30 H new ATOM 0 HH11 ARG A 134 -2.212 20.717 -2.656 1.00 2.98 H new ATOM 0 HH12 ARG A 134 -0.826 21.739 -3.054 1.00 2.98 H new ATOM 0 HH21 ARG A 134 1.501 19.577 -1.591 1.00 3.71 H new ATOM 0 HH22 ARG A 134 1.258 21.098 -2.456 1.00 3.71 H new ATOM 2048 N THR A 135 -5.095 15.354 1.285 1.00 0.41 N ATOM 2049 CA THR A 135 -4.861 15.088 2.736 1.00 0.41 C ATOM 2050 C THR A 135 -4.613 13.593 2.981 1.00 0.39 C ATOM 2051 O THR A 135 -3.917 13.206 3.899 1.00 0.52 O ATOM 2052 CB THR A 135 -6.064 15.545 3.554 1.00 0.42 C ATOM 2053 OG1 THR A 135 -6.239 16.945 3.378 1.00 0.89 O ATOM 2054 CG2 THR A 135 -5.816 15.250 5.034 1.00 0.88 C ATOM 0 H THR A 135 -6.026 15.692 1.042 1.00 0.41 H new ATOM 0 HA THR A 135 -3.978 15.647 3.046 1.00 0.41 H new ATOM 0 HB THR A 135 -6.957 15.015 3.222 1.00 0.42 H new ATOM 0 HG1 THR A 135 -6.925 17.106 2.697 1.00 0.89 H new ATOM 0 HG21 THR A 135 -6.676 15.577 5.619 1.00 0.88 H new ATOM 0 HG22 THR A 135 -5.669 14.179 5.172 1.00 0.88 H new ATOM 0 HG23 THR A 135 -4.926 15.784 5.367 1.00 0.88 H new ATOM 2062 N ILE A 136 -5.165 12.750 2.146 1.00 0.35 N ATOM 2063 CA ILE A 136 -4.958 11.278 2.297 1.00 0.36 C ATOM 2064 C ILE A 136 -3.561 10.926 1.787 1.00 0.35 C ATOM 2065 O ILE A 136 -2.677 10.664 2.576 1.00 0.51 O ATOM 2066 CB ILE A 136 -6.026 10.528 1.492 1.00 0.46 C ATOM 2067 CG1 ILE A 136 -7.399 10.725 2.158 1.00 0.60 C ATOM 2068 CG2 ILE A 136 -5.690 9.033 1.450 1.00 0.94 C ATOM 2069 CD1 ILE A 136 -8.514 10.398 1.161 1.00 0.64 C ATOM 0 H ILE A 136 -5.755 13.021 1.359 1.00 0.35 H new ATOM 0 HA ILE A 136 -5.044 10.988 3.344 1.00 0.36 H new ATOM 0 HB ILE A 136 -6.052 10.919 0.475 1.00 0.46 H new ATOM 0 HG12 ILE A 136 -7.483 10.083 3.034 1.00 0.60 H new ATOM 0 HG13 ILE A 136 -7.500 11.753 2.506 1.00 0.60 H new ATOM 0 HG21 ILE A 136 -6.452 8.505 0.877 1.00 0.94 H new ATOM 0 HG22 ILE A 136 -4.718 8.892 0.978 1.00 0.94 H new ATOM 0 HG23 ILE A 136 -5.661 8.638 2.465 1.00 0.94 H new ATOM 0 HD11 ILE A 136 -9.483 10.540 1.640 1.00 0.64 H new ATOM 0 HD12 ILE A 136 -8.435 11.059 0.298 1.00 0.64 H new ATOM 0 HD13 ILE A 136 -8.418 9.362 0.835 1.00 0.64 H new ATOM 2081 N MET A 137 -3.353 10.903 0.486 1.00 0.35 N ATOM 2082 CA MET A 137 -1.997 10.562 -0.078 1.00 0.33 C ATOM 2083 C MET A 137 -0.897 11.085 0.860 1.00 0.31 C ATOM 2084 O MET A 137 0.151 10.494 1.026 1.00 0.34 O ATOM 2085 CB MET A 137 -1.847 11.222 -1.460 1.00 0.36 C ATOM 2086 CG MET A 137 -3.070 10.901 -2.362 1.00 0.67 C ATOM 2087 SD MET A 137 -2.557 9.883 -3.779 1.00 1.13 S ATOM 2088 CE MET A 137 -1.614 11.139 -4.689 1.00 0.67 C ATOM 0 H MET A 137 -4.067 11.107 -0.214 1.00 0.35 H new ATOM 0 HA MET A 137 -1.903 9.480 -0.172 1.00 0.33 H new ATOM 0 HB2 MET A 137 -1.749 12.301 -1.343 1.00 0.36 H new ATOM 0 HB3 MET A 137 -0.934 10.869 -1.939 1.00 0.36 H new ATOM 0 HG2 MET A 137 -3.829 10.375 -1.783 1.00 0.67 H new ATOM 0 HG3 MET A 137 -3.523 11.827 -2.716 1.00 0.67 H new ATOM 0 HE1 MET A 137 -0.826 10.655 -5.266 1.00 0.67 H new ATOM 0 HE2 MET A 137 -2.280 11.676 -5.364 1.00 0.67 H new ATOM 0 HE3 MET A 137 -1.168 11.841 -3.984 1.00 0.67 H new ATOM 2098 N GLY A 138 -1.179 12.196 1.483 1.00 0.31 N ATOM 2099 CA GLY A 138 -0.234 12.829 2.450 1.00 0.33 C ATOM 2100 C GLY A 138 -0.030 11.913 3.663 1.00 0.33 C ATOM 2101 O GLY A 138 1.084 11.661 4.078 1.00 0.34 O ATOM 0 H GLY A 138 -2.053 12.708 1.358 1.00 0.31 H new ATOM 0 HA2 GLY A 138 0.723 13.020 1.964 1.00 0.33 H new ATOM 0 HA3 GLY A 138 -0.625 13.793 2.774 1.00 0.33 H new ATOM 2105 N TRP A 139 -1.091 11.408 4.232 1.00 0.34 N ATOM 2106 CA TRP A 139 -0.935 10.504 5.411 1.00 0.37 C ATOM 2107 C TRP A 139 -0.292 9.181 4.972 1.00 0.35 C ATOM 2108 O TRP A 139 0.252 8.449 5.775 1.00 0.39 O ATOM 2109 CB TRP A 139 -2.296 10.215 6.062 1.00 0.43 C ATOM 2110 CG TRP A 139 -2.862 11.438 6.735 1.00 0.46 C ATOM 2111 CD1 TRP A 139 -2.156 12.393 7.398 1.00 0.54 C ATOM 2112 CD2 TRP A 139 -4.263 11.831 6.838 1.00 0.53 C ATOM 2113 NE1 TRP A 139 -3.036 13.343 7.883 1.00 0.57 N ATOM 2114 CE2 TRP A 139 -4.344 13.042 7.565 1.00 0.56 C ATOM 2115 CE3 TRP A 139 -5.459 11.260 6.370 1.00 0.67 C ATOM 2116 CZ2 TRP A 139 -5.569 13.664 7.820 1.00 0.66 C ATOM 2117 CZ3 TRP A 139 -6.693 11.881 6.624 1.00 0.81 C ATOM 2118 CH2 TRP A 139 -6.748 13.080 7.348 1.00 0.78 C ATOM 0 H TRP A 139 -2.052 11.579 3.936 1.00 0.34 H new ATOM 0 HA TRP A 139 -0.295 11.002 6.140 1.00 0.37 H new ATOM 0 HB2 TRP A 139 -2.994 9.861 5.304 1.00 0.43 H new ATOM 0 HB3 TRP A 139 -2.187 9.414 6.794 1.00 0.43 H new ATOM 0 HD1 TRP A 139 -1.084 12.407 7.525 1.00 0.54 H new ATOM 0 HE1 TRP A 139 -2.752 14.167 8.412 1.00 0.57 H new ATOM 0 HE3 TRP A 139 -5.429 10.337 5.811 1.00 0.67 H new ATOM 0 HZ2 TRP A 139 -5.605 14.588 8.377 1.00 0.66 H new ATOM 0 HZ3 TRP A 139 -7.605 11.432 6.259 1.00 0.81 H new ATOM 0 HH2 TRP A 139 -7.700 13.552 7.541 1.00 0.78 H new ATOM 2129 N THR A 140 -0.346 8.868 3.704 1.00 0.34 N ATOM 2130 CA THR A 140 0.267 7.594 3.226 1.00 0.36 C ATOM 2131 C THR A 140 1.793 7.719 3.256 1.00 0.34 C ATOM 2132 O THR A 140 2.474 6.951 3.907 1.00 0.39 O ATOM 2133 CB THR A 140 -0.191 7.311 1.793 1.00 0.38 C ATOM 2134 OG1 THR A 140 -1.605 7.418 1.720 1.00 1.20 O ATOM 2135 CG2 THR A 140 0.238 5.900 1.385 1.00 1.17 C ATOM 0 H THR A 140 -0.786 9.437 2.981 1.00 0.34 H new ATOM 0 HA THR A 140 -0.045 6.776 3.876 1.00 0.36 H new ATOM 0 HB THR A 140 0.264 8.035 1.117 1.00 0.38 H new ATOM 0 HG1 THR A 140 -1.900 7.239 0.803 1.00 1.20 H new ATOM 0 HG21 THR A 140 -0.089 5.701 0.365 1.00 1.17 H new ATOM 0 HG22 THR A 140 1.324 5.820 1.440 1.00 1.17 H new ATOM 0 HG23 THR A 140 -0.214 5.173 2.059 1.00 1.17 H new ATOM 2143 N LEU A 141 2.335 8.681 2.558 1.00 0.33 N ATOM 2144 CA LEU A 141 3.817 8.853 2.551 1.00 0.34 C ATOM 2145 C LEU A 141 4.304 9.171 3.969 1.00 0.33 C ATOM 2146 O LEU A 141 5.432 8.894 4.326 1.00 0.33 O ATOM 2147 CB LEU A 141 4.212 9.974 1.583 1.00 0.35 C ATOM 2148 CG LEU A 141 3.604 9.704 0.197 1.00 0.41 C ATOM 2149 CD1 LEU A 141 3.768 10.946 -0.683 1.00 0.99 C ATOM 2150 CD2 LEU A 141 4.307 8.511 -0.467 1.00 0.80 C ATOM 0 H LEU A 141 1.817 9.354 1.993 1.00 0.33 H new ATOM 0 HA LEU A 141 4.286 7.928 2.216 1.00 0.34 H new ATOM 0 HB2 LEU A 141 3.863 10.934 1.962 1.00 0.35 H new ATOM 0 HB3 LEU A 141 5.298 10.036 1.508 1.00 0.35 H new ATOM 0 HG LEU A 141 2.545 9.472 0.313 1.00 0.41 H new ATOM 0 HD11 LEU A 141 3.337 10.755 -1.666 1.00 0.99 H new ATOM 0 HD12 LEU A 141 3.256 11.790 -0.220 1.00 0.99 H new ATOM 0 HD13 LEU A 141 4.827 11.179 -0.790 1.00 0.99 H new ATOM 0 HD21 LEU A 141 3.868 8.330 -1.448 1.00 0.80 H new ATOM 0 HD22 LEU A 141 5.369 8.731 -0.580 1.00 0.80 H new ATOM 0 HD23 LEU A 141 4.185 7.624 0.155 1.00 0.80 H new ATOM 2162 N ASP A 142 3.451 9.723 4.789 1.00 0.36 N ATOM 2163 CA ASP A 142 3.849 10.025 6.194 1.00 0.37 C ATOM 2164 C ASP A 142 4.204 8.709 6.884 1.00 0.37 C ATOM 2165 O ASP A 142 5.316 8.491 7.321 1.00 0.42 O ATOM 2166 CB ASP A 142 2.662 10.665 6.917 1.00 0.37 C ATOM 2167 CG ASP A 142 3.099 11.139 8.304 1.00 0.78 C ATOM 2168 OD1 ASP A 142 4.059 11.888 8.379 1.00 1.59 O ATOM 2169 OD2 ASP A 142 2.464 10.746 9.270 1.00 1.32 O ATOM 0 H ASP A 142 2.494 9.978 4.546 1.00 0.36 H new ATOM 0 HA ASP A 142 4.701 10.704 6.213 1.00 0.37 H new ATOM 0 HB2 ASP A 142 2.281 11.506 6.338 1.00 0.37 H new ATOM 0 HB3 ASP A 142 1.848 9.946 7.007 1.00 0.37 H new ATOM 2174 N PHE A 143 3.250 7.825 6.962 1.00 0.41 N ATOM 2175 CA PHE A 143 3.479 6.496 7.593 1.00 0.43 C ATOM 2176 C PHE A 143 4.608 5.760 6.863 1.00 0.43 C ATOM 2177 O PHE A 143 5.341 5.001 7.467 1.00 0.45 O ATOM 2178 CB PHE A 143 2.180 5.682 7.502 1.00 0.44 C ATOM 2179 CG PHE A 143 2.200 4.539 8.491 1.00 0.47 C ATOM 2180 CD1 PHE A 143 2.790 3.319 8.140 1.00 1.29 C ATOM 2181 CD2 PHE A 143 1.619 4.697 9.756 1.00 1.16 C ATOM 2182 CE1 PHE A 143 2.801 2.258 9.053 1.00 1.35 C ATOM 2183 CE2 PHE A 143 1.627 3.635 10.669 1.00 1.22 C ATOM 2184 CZ PHE A 143 2.219 2.416 10.317 1.00 0.72 C ATOM 0 H PHE A 143 2.304 7.970 6.609 1.00 0.41 H new ATOM 0 HA PHE A 143 3.765 6.624 8.637 1.00 0.43 H new ATOM 0 HB2 PHE A 143 1.325 6.328 7.701 1.00 0.44 H new ATOM 0 HB3 PHE A 143 2.058 5.294 6.491 1.00 0.44 H new ATOM 0 HD1 PHE A 143 3.237 3.196 7.164 1.00 1.29 H new ATOM 0 HD2 PHE A 143 1.165 5.638 10.027 1.00 1.16 H new ATOM 0 HE1 PHE A 143 3.258 1.318 8.783 1.00 1.35 H new ATOM 0 HE2 PHE A 143 1.177 3.756 11.643 1.00 1.22 H new ATOM 0 HZ PHE A 143 2.227 1.597 11.021 1.00 0.72 H new ATOM 2194 N LEU A 144 4.767 5.960 5.583 1.00 0.45 N ATOM 2195 CA LEU A 144 5.864 5.242 4.859 1.00 0.47 C ATOM 2196 C LEU A 144 7.219 5.815 5.323 1.00 0.47 C ATOM 2197 O LEU A 144 8.092 5.084 5.748 1.00 0.49 O ATOM 2198 CB LEU A 144 5.675 5.428 3.344 1.00 0.49 C ATOM 2199 CG LEU A 144 6.191 4.221 2.527 1.00 0.64 C ATOM 2200 CD1 LEU A 144 5.065 3.186 2.414 1.00 1.31 C ATOM 2201 CD2 LEU A 144 6.559 4.728 1.128 1.00 1.01 C ATOM 0 H LEU A 144 4.195 6.580 5.010 1.00 0.45 H new ATOM 0 HA LEU A 144 5.839 4.175 5.080 1.00 0.47 H new ATOM 0 HB2 LEU A 144 4.617 5.581 3.130 1.00 0.49 H new ATOM 0 HB3 LEU A 144 6.199 6.329 3.024 1.00 0.49 H new ATOM 0 HG LEU A 144 7.057 3.764 3.006 1.00 0.64 H new ATOM 0 HD11 LEU A 144 5.415 2.328 1.840 1.00 1.31 H new ATOM 0 HD12 LEU A 144 4.770 2.859 3.411 1.00 1.31 H new ATOM 0 HD13 LEU A 144 4.208 3.634 1.911 1.00 1.31 H new ATOM 0 HD21 LEU A 144 6.928 3.898 0.525 1.00 1.01 H new ATOM 0 HD22 LEU A 144 5.677 5.158 0.653 1.00 1.01 H new ATOM 0 HD23 LEU A 144 7.335 5.490 1.209 1.00 1.01 H new ATOM 2213 N ARG A 145 7.397 7.095 5.258 1.00 0.47 N ATOM 2214 CA ARG A 145 8.687 7.702 5.706 1.00 0.48 C ATOM 2215 C ARG A 145 8.964 7.412 7.194 1.00 0.49 C ATOM 2216 O ARG A 145 10.104 7.286 7.593 1.00 0.50 O ATOM 2217 CB ARG A 145 8.621 9.219 5.488 1.00 0.49 C ATOM 2218 CG ARG A 145 9.892 9.883 6.035 1.00 0.69 C ATOM 2219 CD ARG A 145 9.954 11.348 5.581 1.00 0.68 C ATOM 2220 NE ARG A 145 10.502 11.418 4.198 1.00 1.56 N ATOM 2221 CZ ARG A 145 10.377 12.516 3.505 1.00 2.10 C ATOM 2222 NH1 ARG A 145 9.763 13.545 4.020 1.00 2.12 N ATOM 2223 NH2 ARG A 145 10.865 12.586 2.297 1.00 3.16 N ATOM 0 H ARG A 145 6.705 7.759 4.913 1.00 0.47 H new ATOM 0 HA ARG A 145 9.496 7.263 5.123 1.00 0.48 H new ATOM 0 HB2 ARG A 145 8.515 9.438 4.425 1.00 0.49 H new ATOM 0 HB3 ARG A 145 7.743 9.629 5.987 1.00 0.49 H new ATOM 0 HG2 ARG A 145 9.900 9.830 7.124 1.00 0.69 H new ATOM 0 HG3 ARG A 145 10.773 9.347 5.683 1.00 0.69 H new ATOM 0 HD2 ARG A 145 8.959 11.792 5.612 1.00 0.68 H new ATOM 0 HD3 ARG A 145 10.581 11.924 6.261 1.00 0.68 H new ATOM 0 HE ARG A 145 10.974 10.609 3.794 1.00 1.56 H new ATOM 0 HH11 ARG A 145 9.381 13.491 4.964 1.00 2.12 H new ATOM 0 HH12 ARG A 145 9.665 14.404 3.479 1.00 2.12 H new ATOM 0 HH21 ARG A 145 11.345 11.782 1.893 1.00 3.16 H new ATOM 0 HH22 ARG A 145 10.767 13.445 1.756 1.00 3.16 H new ATOM 2237 N GLU A 146 7.964 7.358 8.033 1.00 0.49 N ATOM 2238 CA GLU A 146 8.239 7.142 9.497 1.00 0.51 C ATOM 2239 C GLU A 146 8.474 5.658 9.853 1.00 0.53 C ATOM 2240 O GLU A 146 9.508 5.319 10.395 1.00 0.55 O ATOM 2241 CB GLU A 146 7.066 7.689 10.315 1.00 0.52 C ATOM 2242 CG GLU A 146 7.072 9.216 10.266 1.00 0.96 C ATOM 2243 CD GLU A 146 5.785 9.751 10.898 1.00 1.48 C ATOM 2244 OE1 GLU A 146 5.422 9.264 11.956 1.00 2.03 O ATOM 2245 OE2 GLU A 146 5.184 10.636 10.313 1.00 2.22 O ATOM 0 H GLU A 146 6.980 7.452 7.780 1.00 0.49 H new ATOM 0 HA GLU A 146 9.160 7.674 9.737 1.00 0.51 H new ATOM 0 HB2 GLU A 146 6.125 7.307 9.920 1.00 0.52 H new ATOM 0 HB3 GLU A 146 7.140 7.348 11.348 1.00 0.52 H new ATOM 0 HG2 GLU A 146 7.940 9.604 10.799 1.00 0.96 H new ATOM 0 HG3 GLU A 146 7.152 9.557 9.234 1.00 0.96 H new ATOM 2252 N ARG A 147 7.536 4.779 9.630 1.00 0.59 N ATOM 2253 CA ARG A 147 7.749 3.349 10.050 1.00 0.62 C ATOM 2254 C ARG A 147 8.506 2.550 8.977 1.00 0.58 C ATOM 2255 O ARG A 147 9.439 1.831 9.271 1.00 0.62 O ATOM 2256 CB ARG A 147 6.387 2.694 10.332 1.00 0.63 C ATOM 2257 CG ARG A 147 5.762 3.279 11.623 1.00 0.73 C ATOM 2258 CD ARG A 147 4.949 4.539 11.300 1.00 1.11 C ATOM 2259 NE ARG A 147 4.400 5.118 12.559 1.00 1.75 N ATOM 2260 CZ ARG A 147 3.948 6.343 12.568 1.00 2.40 C ATOM 2261 NH1 ARG A 147 3.971 7.053 11.473 1.00 2.71 N ATOM 2262 NH2 ARG A 147 3.476 6.861 13.671 1.00 3.30 N ATOM 0 H ARG A 147 6.641 4.977 9.182 1.00 0.59 H new ATOM 0 HA ARG A 147 8.358 3.344 10.954 1.00 0.62 H new ATOM 0 HB2 ARG A 147 5.716 2.858 9.489 1.00 0.63 H new ATOM 0 HB3 ARG A 147 6.510 1.616 10.436 1.00 0.63 H new ATOM 0 HG2 ARG A 147 5.120 2.535 12.093 1.00 0.73 H new ATOM 0 HG3 ARG A 147 6.548 3.519 12.339 1.00 0.73 H new ATOM 0 HD2 ARG A 147 5.580 5.271 10.796 1.00 1.11 H new ATOM 0 HD3 ARG A 147 4.136 4.294 10.616 1.00 1.11 H new ATOM 0 HE ARG A 147 4.377 4.559 13.412 1.00 1.75 H new ATOM 0 HH11 ARG A 147 4.342 6.651 10.612 1.00 2.71 H new ATOM 0 HH12 ARG A 147 3.618 8.010 11.478 1.00 2.71 H new ATOM 0 HH21 ARG A 147 3.460 6.308 14.528 1.00 3.30 H new ATOM 0 HH22 ARG A 147 3.124 7.818 13.675 1.00 3.30 H new ATOM 2276 N LEU A 148 8.118 2.672 7.748 1.00 0.53 N ATOM 2277 CA LEU A 148 8.817 1.924 6.660 1.00 0.57 C ATOM 2278 C LEU A 148 10.064 2.694 6.214 1.00 0.67 C ATOM 2279 O LEU A 148 10.657 3.413 6.987 1.00 1.61 O ATOM 2280 CB LEU A 148 7.851 1.747 5.483 1.00 0.59 C ATOM 2281 CG LEU A 148 6.741 0.738 5.878 1.00 0.70 C ATOM 2282 CD1 LEU A 148 5.491 0.979 5.034 1.00 1.29 C ATOM 2283 CD2 LEU A 148 7.222 -0.709 5.655 1.00 1.34 C ATOM 0 H LEU A 148 7.343 3.259 7.440 1.00 0.53 H new ATOM 0 HA LEU A 148 9.130 0.946 7.024 1.00 0.57 H new ATOM 0 HB2 LEU A 148 7.408 2.706 5.214 1.00 0.59 H new ATOM 0 HB3 LEU A 148 8.390 1.388 4.606 1.00 0.59 H new ATOM 0 HG LEU A 148 6.509 0.883 6.933 1.00 0.70 H new ATOM 0 HD11 LEU A 148 4.717 0.266 5.318 1.00 1.29 H new ATOM 0 HD12 LEU A 148 5.129 1.993 5.201 1.00 1.29 H new ATOM 0 HD13 LEU A 148 5.734 0.850 3.979 1.00 1.29 H new ATOM 0 HD21 LEU A 148 6.430 -1.403 5.937 1.00 1.34 H new ATOM 0 HD22 LEU A 148 7.472 -0.852 4.604 1.00 1.34 H new ATOM 0 HD23 LEU A 148 8.105 -0.897 6.266 1.00 1.34 H new ATOM 2295 N LEU A 149 10.473 2.523 4.980 1.00 0.67 N ATOM 2296 CA LEU A 149 11.693 3.211 4.456 1.00 0.57 C ATOM 2297 C LEU A 149 12.935 2.444 4.910 1.00 0.56 C ATOM 2298 O LEU A 149 13.681 1.922 4.105 1.00 0.58 O ATOM 2299 CB LEU A 149 11.767 4.673 4.938 1.00 0.54 C ATOM 2300 CG LEU A 149 12.674 5.494 3.996 1.00 0.59 C ATOM 2301 CD1 LEU A 149 11.905 5.928 2.739 1.00 0.83 C ATOM 2302 CD2 LEU A 149 13.176 6.745 4.726 1.00 1.21 C ATOM 0 H LEU A 149 10.003 1.924 4.302 1.00 0.67 H new ATOM 0 HA LEU A 149 11.642 3.226 3.367 1.00 0.57 H new ATOM 0 HB2 LEU A 149 10.768 5.107 4.964 1.00 0.54 H new ATOM 0 HB3 LEU A 149 12.157 4.710 5.955 1.00 0.54 H new ATOM 0 HG LEU A 149 13.515 4.867 3.700 1.00 0.59 H new ATOM 0 HD11 LEU A 149 12.564 6.505 2.090 1.00 0.83 H new ATOM 0 HD12 LEU A 149 11.552 5.045 2.205 1.00 0.83 H new ATOM 0 HD13 LEU A 149 11.052 6.542 3.028 1.00 0.83 H new ATOM 0 HD21 LEU A 149 13.816 7.323 4.059 1.00 1.21 H new ATOM 0 HD22 LEU A 149 12.325 7.354 5.031 1.00 1.21 H new ATOM 0 HD23 LEU A 149 13.744 6.448 5.608 1.00 1.21 H new ATOM 2314 N GLY A 150 13.163 2.362 6.192 1.00 0.56 N ATOM 2315 CA GLY A 150 14.356 1.618 6.684 1.00 0.58 C ATOM 2316 C GLY A 150 14.306 0.181 6.160 1.00 0.62 C ATOM 2317 O GLY A 150 15.164 -0.255 5.418 1.00 0.70 O ATOM 0 H GLY A 150 12.577 2.776 6.917 1.00 0.56 H new ATOM 0 HA2 GLY A 150 15.269 2.109 6.348 1.00 0.58 H new ATOM 0 HA3 GLY A 150 14.376 1.620 7.774 1.00 0.58 H new ATOM 2321 N TRP A 151 13.307 -0.562 6.558 1.00 0.63 N ATOM 2322 CA TRP A 151 13.192 -1.979 6.109 1.00 0.69 C ATOM 2323 C TRP A 151 13.227 -2.058 4.580 1.00 0.70 C ATOM 2324 O TRP A 151 13.854 -2.932 4.013 1.00 0.72 O ATOM 2325 CB TRP A 151 11.875 -2.566 6.618 1.00 0.73 C ATOM 2326 CG TRP A 151 11.803 -4.014 6.256 1.00 1.25 C ATOM 2327 CD1 TRP A 151 11.268 -4.502 5.113 1.00 2.17 C ATOM 2328 CD2 TRP A 151 12.271 -5.167 7.014 1.00 1.86 C ATOM 2329 NE1 TRP A 151 11.378 -5.881 5.122 1.00 2.65 N ATOM 2330 CE2 TRP A 151 11.990 -6.338 6.272 1.00 2.43 C ATOM 2331 CE3 TRP A 151 12.907 -5.309 8.261 1.00 2.68 C ATOM 2332 CZ2 TRP A 151 12.327 -7.605 6.750 1.00 3.17 C ATOM 2333 CZ3 TRP A 151 13.247 -6.583 8.745 1.00 3.62 C ATOM 2334 CH2 TRP A 151 12.958 -7.728 7.990 1.00 3.67 C ATOM 0 H TRP A 151 12.562 -0.245 7.178 1.00 0.63 H new ATOM 0 HA TRP A 151 14.031 -2.547 6.511 1.00 0.69 H new ATOM 0 HB2 TRP A 151 11.805 -2.446 7.699 1.00 0.73 H new ATOM 0 HB3 TRP A 151 11.032 -2.029 6.182 1.00 0.73 H new ATOM 0 HD1 TRP A 151 10.827 -3.912 4.323 1.00 2.17 H new ATOM 0 HE1 TRP A 151 11.047 -6.486 4.371 1.00 2.65 H new ATOM 0 HE3 TRP A 151 13.135 -4.433 8.850 1.00 2.68 H new ATOM 0 HZ2 TRP A 151 12.101 -8.484 6.165 1.00 3.17 H new ATOM 0 HZ3 TRP A 151 13.734 -6.681 9.704 1.00 3.62 H new ATOM 0 HH2 TRP A 151 13.223 -8.705 8.367 1.00 3.67 H new ATOM 2345 N ILE A 152 12.559 -1.164 3.904 1.00 0.73 N ATOM 2346 CA ILE A 152 12.566 -1.214 2.415 1.00 0.76 C ATOM 2347 C ILE A 152 13.987 -0.973 1.909 1.00 0.79 C ATOM 2348 O ILE A 152 14.340 -1.360 0.813 1.00 0.89 O ATOM 2349 CB ILE A 152 11.640 -0.138 1.848 1.00 0.78 C ATOM 2350 CG1 ILE A 152 10.236 -0.317 2.430 1.00 0.83 C ATOM 2351 CG2 ILE A 152 11.580 -0.270 0.323 1.00 0.92 C ATOM 2352 CD1 ILE A 152 9.355 0.857 1.999 1.00 0.94 C ATOM 0 H ILE A 152 12.013 -0.407 4.314 1.00 0.73 H new ATOM 0 HA ILE A 152 12.216 -2.194 2.090 1.00 0.76 H new ATOM 0 HB ILE A 152 12.021 0.848 2.114 1.00 0.78 H new ATOM 0 HG12 ILE A 152 9.804 -1.256 2.085 1.00 0.83 H new ATOM 0 HG13 ILE A 152 10.285 -0.369 3.518 1.00 0.83 H new ATOM 0 HG21 ILE A 152 10.920 0.497 -0.083 1.00 0.92 H new ATOM 0 HG22 ILE A 152 12.580 -0.145 -0.093 1.00 0.92 H new ATOM 0 HG23 ILE A 152 11.197 -1.256 0.058 1.00 0.92 H new ATOM 0 HD11 ILE A 152 8.354 0.732 2.412 1.00 0.94 H new ATOM 0 HD12 ILE A 152 9.785 1.789 2.366 1.00 0.94 H new ATOM 0 HD13 ILE A 152 9.297 0.888 0.911 1.00 0.94 H new ATOM 2364 N GLN A 153 14.810 -0.342 2.699 1.00 0.77 N ATOM 2365 CA GLN A 153 16.209 -0.089 2.255 1.00 0.80 C ATOM 2366 C GLN A 153 17.024 -1.372 2.447 1.00 0.81 C ATOM 2367 O GLN A 153 17.871 -1.701 1.640 1.00 0.82 O ATOM 2368 CB GLN A 153 16.827 1.071 3.072 1.00 0.82 C ATOM 2369 CG GLN A 153 17.867 1.866 2.244 1.00 1.09 C ATOM 2370 CD GLN A 153 18.615 0.944 1.267 1.00 1.98 C ATOM 2371 OE1 GLN A 153 19.456 0.165 1.672 1.00 2.66 O ATOM 2372 NE2 GLN A 153 18.342 1.004 -0.008 1.00 2.77 N ATOM 0 H GLN A 153 14.576 0.008 3.628 1.00 0.77 H new ATOM 0 HA GLN A 153 16.218 0.196 1.203 1.00 0.80 H new ATOM 0 HB2 GLN A 153 16.036 1.743 3.405 1.00 0.82 H new ATOM 0 HB3 GLN A 153 17.303 0.672 3.967 1.00 0.82 H new ATOM 0 HG2 GLN A 153 17.366 2.659 1.689 1.00 1.09 H new ATOM 0 HG3 GLN A 153 18.580 2.347 2.914 1.00 1.09 H new ATOM 0 HE21 GLN A 153 17.637 1.657 -0.348 1.00 2.77 H new ATOM 0 HE22 GLN A 153 18.834 0.397 -0.664 1.00 2.77 H new ATOM 2381 N ASP A 154 16.788 -2.098 3.507 1.00 0.83 N ATOM 2382 CA ASP A 154 17.573 -3.346 3.728 1.00 0.86 C ATOM 2383 C ASP A 154 17.296 -4.330 2.585 1.00 0.85 C ATOM 2384 O ASP A 154 18.093 -5.199 2.295 1.00 0.94 O ATOM 2385 CB ASP A 154 17.180 -3.981 5.064 1.00 0.90 C ATOM 2386 CG ASP A 154 17.472 -3.002 6.202 1.00 1.28 C ATOM 2387 OD1 ASP A 154 17.379 -1.809 5.969 1.00 1.99 O ATOM 2388 OD2 ASP A 154 17.781 -3.463 7.289 1.00 1.84 O ATOM 0 H ASP A 154 16.093 -1.884 4.222 1.00 0.83 H new ATOM 0 HA ASP A 154 18.636 -3.104 3.751 1.00 0.86 H new ATOM 0 HB2 ASP A 154 16.122 -4.241 5.057 1.00 0.90 H new ATOM 0 HB3 ASP A 154 17.735 -4.907 5.216 1.00 0.90 H new ATOM 2393 N GLN A 155 16.177 -4.190 1.925 1.00 0.79 N ATOM 2394 CA GLN A 155 15.852 -5.101 0.793 1.00 0.79 C ATOM 2395 C GLN A 155 16.602 -4.636 -0.452 1.00 0.72 C ATOM 2396 O GLN A 155 17.243 -5.408 -1.137 1.00 1.03 O ATOM 2397 CB GLN A 155 14.347 -5.044 0.519 1.00 0.90 C ATOM 2398 CG GLN A 155 13.592 -5.679 1.687 1.00 1.37 C ATOM 2399 CD GLN A 155 13.764 -7.199 1.642 1.00 2.01 C ATOM 2400 OE1 GLN A 155 14.418 -7.723 0.762 1.00 2.72 O ATOM 2401 NE2 GLN A 155 13.200 -7.935 2.560 1.00 2.54 N ATOM 0 H GLN A 155 15.472 -3.480 2.124 1.00 0.79 H new ATOM 0 HA GLN A 155 16.144 -6.121 1.044 1.00 0.79 H new ATOM 0 HB2 GLN A 155 14.030 -4.010 0.386 1.00 0.90 H new ATOM 0 HB3 GLN A 155 14.115 -5.570 -0.407 1.00 0.90 H new ATOM 0 HG2 GLN A 155 13.968 -5.288 2.632 1.00 1.37 H new ATOM 0 HG3 GLN A 155 12.534 -5.421 1.633 1.00 1.37 H new ATOM 0 HE21 GLN A 155 12.651 -7.496 3.299 1.00 2.54 H new ATOM 0 HE22 GLN A 155 13.308 -8.949 2.538 1.00 2.54 H new ATOM 2410 N GLY A 156 16.516 -3.369 -0.749 1.00 0.63 N ATOM 2411 CA GLY A 156 17.207 -2.815 -1.949 1.00 0.72 C ATOM 2412 C GLY A 156 16.309 -1.749 -2.574 1.00 0.87 C ATOM 2413 O GLY A 156 16.701 -0.614 -2.755 1.00 1.38 O ATOM 0 H GLY A 156 15.990 -2.685 -0.205 1.00 0.63 H new ATOM 0 HA2 GLY A 156 18.168 -2.384 -1.668 1.00 0.72 H new ATOM 0 HA3 GLY A 156 17.412 -3.608 -2.668 1.00 0.72 H new ATOM 2417 N GLY A 157 15.101 -2.116 -2.906 1.00 0.81 N ATOM 2418 CA GLY A 157 14.158 -1.141 -3.525 1.00 1.10 C ATOM 2419 C GLY A 157 12.898 -1.881 -3.985 1.00 0.84 C ATOM 2420 O GLY A 157 12.735 -3.061 -3.746 1.00 0.88 O ATOM 0 H GLY A 157 14.725 -3.055 -2.774 1.00 0.81 H new ATOM 0 HA2 GLY A 157 13.896 -0.364 -2.807 1.00 1.10 H new ATOM 0 HA3 GLY A 157 14.633 -0.645 -4.372 1.00 1.10 H new ATOM 2424 N TRP A 158 12.000 -1.188 -4.634 1.00 0.67 N ATOM 2425 CA TRP A 158 10.737 -1.834 -5.103 1.00 0.50 C ATOM 2426 C TRP A 158 11.053 -3.040 -5.992 1.00 0.51 C ATOM 2427 O TRP A 158 10.162 -3.780 -6.387 1.00 0.53 O ATOM 2428 CB TRP A 158 9.894 -0.825 -5.886 1.00 0.51 C ATOM 2429 CG TRP A 158 9.642 0.391 -5.050 1.00 0.46 C ATOM 2430 CD1 TRP A 158 10.322 1.557 -5.149 1.00 0.59 C ATOM 2431 CD2 TRP A 158 8.650 0.586 -4.000 1.00 0.46 C ATOM 2432 NE1 TRP A 158 9.811 2.453 -4.226 1.00 0.55 N ATOM 2433 CE2 TRP A 158 8.779 1.901 -3.494 1.00 0.47 C ATOM 2434 CE3 TRP A 158 7.661 -0.243 -3.442 1.00 0.65 C ATOM 2435 CZ2 TRP A 158 7.956 2.376 -2.471 1.00 0.58 C ATOM 2436 CZ3 TRP A 158 6.831 0.230 -2.414 1.00 0.84 C ATOM 2437 CH2 TRP A 158 6.978 1.537 -1.929 1.00 0.78 C ATOM 0 H TRP A 158 12.087 -0.197 -4.861 1.00 0.67 H new ATOM 0 HA TRP A 158 10.177 -2.174 -4.232 1.00 0.50 H new ATOM 0 HB2 TRP A 158 10.409 -0.544 -6.805 1.00 0.51 H new ATOM 0 HB3 TRP A 158 8.947 -1.279 -6.177 1.00 0.51 H new ATOM 0 HD1 TRP A 158 11.131 1.756 -5.836 1.00 0.59 H new ATOM 0 HE1 TRP A 158 10.155 3.405 -4.102 1.00 0.55 H new ATOM 0 HE3 TRP A 158 7.539 -1.252 -3.807 1.00 0.65 H new ATOM 0 HZ2 TRP A 158 8.074 3.384 -2.101 1.00 0.58 H new ATOM 0 HZ3 TRP A 158 6.075 -0.417 -1.994 1.00 0.84 H new ATOM 0 HH2 TRP A 158 6.336 1.895 -1.138 1.00 0.78 H new ATOM 2448 N ASP A 159 12.290 -3.276 -6.323 1.00 0.50 N ATOM 2449 CA ASP A 159 12.566 -4.454 -7.180 1.00 0.51 C ATOM 2450 C ASP A 159 12.131 -5.696 -6.402 1.00 0.51 C ATOM 2451 O ASP A 159 11.754 -6.704 -6.966 1.00 0.51 O ATOM 2452 CB ASP A 159 14.056 -4.519 -7.518 1.00 0.54 C ATOM 2453 CG ASP A 159 14.446 -3.283 -8.330 1.00 1.66 C ATOM 2454 OD1 ASP A 159 14.245 -2.187 -7.833 1.00 2.46 O ATOM 2455 OD2 ASP A 159 14.938 -3.453 -9.433 1.00 2.37 O ATOM 0 H ASP A 159 13.100 -2.721 -6.046 1.00 0.50 H new ATOM 0 HA ASP A 159 12.019 -4.388 -8.121 1.00 0.51 H new ATOM 0 HB2 ASP A 159 14.646 -4.568 -6.603 1.00 0.54 H new ATOM 0 HB3 ASP A 159 14.272 -5.424 -8.086 1.00 0.54 H new ATOM 2460 N GLY A 160 12.166 -5.608 -5.097 1.00 0.52 N ATOM 2461 CA GLY A 160 11.741 -6.758 -4.250 1.00 0.54 C ATOM 2462 C GLY A 160 10.275 -7.082 -4.548 1.00 0.53 C ATOM 2463 O GLY A 160 9.870 -8.227 -4.532 1.00 0.54 O ATOM 0 H GLY A 160 12.473 -4.783 -4.581 1.00 0.52 H new ATOM 0 HA2 GLY A 160 12.367 -7.627 -4.453 1.00 0.54 H new ATOM 0 HA3 GLY A 160 11.866 -6.515 -3.195 1.00 0.54 H new ATOM 2467 N LEU A 161 9.472 -6.093 -4.838 1.00 0.54 N ATOM 2468 CA LEU A 161 8.048 -6.385 -5.155 1.00 0.56 C ATOM 2469 C LEU A 161 8.024 -7.314 -6.369 1.00 0.56 C ATOM 2470 O LEU A 161 7.478 -8.399 -6.325 1.00 0.62 O ATOM 2471 CB LEU A 161 7.295 -5.068 -5.470 1.00 0.58 C ATOM 2472 CG LEU A 161 6.555 -4.569 -4.215 1.00 0.74 C ATOM 2473 CD1 LEU A 161 7.574 -4.204 -3.132 1.00 1.63 C ATOM 2474 CD2 LEU A 161 5.714 -3.340 -4.569 1.00 1.56 C ATOM 0 H LEU A 161 9.738 -5.109 -4.869 1.00 0.54 H new ATOM 0 HA LEU A 161 7.555 -6.860 -4.306 1.00 0.56 H new ATOM 0 HB2 LEU A 161 8.000 -4.310 -5.812 1.00 0.58 H new ATOM 0 HB3 LEU A 161 6.584 -5.231 -6.280 1.00 0.58 H new ATOM 0 HG LEU A 161 5.900 -5.357 -3.843 1.00 0.74 H new ATOM 0 HD11 LEU A 161 7.050 -3.851 -2.244 1.00 1.63 H new ATOM 0 HD12 LEU A 161 8.166 -5.083 -2.878 1.00 1.63 H new ATOM 0 HD13 LEU A 161 8.232 -3.418 -3.502 1.00 1.63 H new ATOM 0 HD21 LEU A 161 5.191 -2.988 -3.680 1.00 1.56 H new ATOM 0 HD22 LEU A 161 6.364 -2.550 -4.944 1.00 1.56 H new ATOM 0 HD23 LEU A 161 4.987 -3.606 -5.336 1.00 1.56 H new ATOM 2486 N LEU A 162 8.638 -6.903 -7.453 1.00 0.53 N ATOM 2487 CA LEU A 162 8.678 -7.772 -8.670 1.00 0.56 C ATOM 2488 C LEU A 162 9.369 -9.095 -8.322 1.00 0.55 C ATOM 2489 O LEU A 162 8.995 -10.141 -8.815 1.00 0.57 O ATOM 2490 CB LEU A 162 9.465 -7.066 -9.791 1.00 0.61 C ATOM 2491 CG LEU A 162 8.568 -6.053 -10.533 1.00 0.80 C ATOM 2492 CD1 LEU A 162 9.442 -4.987 -11.205 1.00 1.56 C ATOM 2493 CD2 LEU A 162 7.743 -6.765 -11.616 1.00 1.33 C ATOM 0 H LEU A 162 9.112 -6.005 -7.547 1.00 0.53 H new ATOM 0 HA LEU A 162 7.660 -7.963 -9.011 1.00 0.56 H new ATOM 0 HB2 LEU A 162 10.329 -6.553 -9.368 1.00 0.61 H new ATOM 0 HB3 LEU A 162 9.847 -7.805 -10.495 1.00 0.61 H new ATOM 0 HG LEU A 162 7.897 -5.589 -9.810 1.00 0.80 H new ATOM 0 HD11 LEU A 162 8.807 -4.273 -11.728 1.00 1.56 H new ATOM 0 HD12 LEU A 162 10.027 -4.465 -10.447 1.00 1.56 H new ATOM 0 HD13 LEU A 162 10.115 -5.464 -11.918 1.00 1.56 H new ATOM 0 HD21 LEU A 162 7.115 -6.038 -12.131 1.00 1.33 H new ATOM 0 HD22 LEU A 162 8.414 -7.237 -12.333 1.00 1.33 H new ATOM 0 HD23 LEU A 162 7.114 -7.525 -11.153 1.00 1.33 H new ATOM 2505 N SER A 163 10.366 -9.068 -7.488 1.00 0.54 N ATOM 2506 CA SER A 163 11.057 -10.338 -7.130 1.00 0.56 C ATOM 2507 C SER A 163 10.032 -11.351 -6.613 1.00 0.53 C ATOM 2508 O SER A 163 10.163 -12.544 -6.802 1.00 0.60 O ATOM 2509 CB SER A 163 12.076 -10.061 -6.026 1.00 0.63 C ATOM 2510 OG SER A 163 12.994 -9.072 -6.474 1.00 1.32 O ATOM 0 H SER A 163 10.733 -8.228 -7.040 1.00 0.54 H new ATOM 0 HA SER A 163 11.558 -10.738 -8.011 1.00 0.56 H new ATOM 0 HB2 SER A 163 11.568 -9.721 -5.123 1.00 0.63 H new ATOM 0 HB3 SER A 163 12.607 -10.977 -5.767 1.00 0.63 H new ATOM 0 HG SER A 163 12.542 -8.204 -6.521 1.00 1.32 H new ATOM 2516 N TYR A 164 9.023 -10.869 -5.933 1.00 0.59 N ATOM 2517 CA TYR A 164 7.983 -11.773 -5.357 1.00 0.64 C ATOM 2518 C TYR A 164 6.871 -12.043 -6.375 1.00 0.63 C ATOM 2519 O TYR A 164 6.322 -13.126 -6.428 1.00 0.68 O ATOM 2520 CB TYR A 164 7.379 -11.100 -4.123 1.00 0.69 C ATOM 2521 CG TYR A 164 6.377 -12.027 -3.470 1.00 0.72 C ATOM 2522 CD1 TYR A 164 6.820 -13.170 -2.793 1.00 1.50 C ATOM 2523 CD2 TYR A 164 5.005 -11.742 -3.534 1.00 1.34 C ATOM 2524 CE1 TYR A 164 5.896 -14.026 -2.183 1.00 1.57 C ATOM 2525 CE2 TYR A 164 4.081 -12.599 -2.923 1.00 1.35 C ATOM 2526 CZ TYR A 164 4.527 -13.741 -2.248 1.00 0.87 C ATOM 2527 OH TYR A 164 3.616 -14.585 -1.646 1.00 0.97 O ATOM 0 H TYR A 164 8.874 -9.877 -5.751 1.00 0.59 H new ATOM 0 HA TYR A 164 8.447 -12.723 -5.091 1.00 0.64 H new ATOM 0 HB2 TYR A 164 8.167 -10.845 -3.415 1.00 0.69 H new ATOM 0 HB3 TYR A 164 6.893 -10.167 -4.408 1.00 0.69 H new ATOM 0 HD1 TYR A 164 7.876 -13.391 -2.742 1.00 1.50 H new ATOM 0 HD2 TYR A 164 4.661 -10.861 -4.055 1.00 1.34 H new ATOM 0 HE1 TYR A 164 6.239 -14.907 -1.662 1.00 1.57 H new ATOM 0 HE2 TYR A 164 3.025 -12.379 -2.973 1.00 1.35 H new ATOM 0 HH TYR A 164 2.709 -14.240 -1.785 1.00 0.97 H new ATOM 2537 N PHE A 165 6.515 -11.070 -7.168 1.00 0.64 N ATOM 2538 CA PHE A 165 5.419 -11.292 -8.154 1.00 0.72 C ATOM 2539 C PHE A 165 5.908 -12.177 -9.300 1.00 0.82 C ATOM 2540 O PHE A 165 5.757 -11.848 -10.459 1.00 1.56 O ATOM 2541 CB PHE A 165 4.940 -9.951 -8.716 1.00 0.74 C ATOM 2542 CG PHE A 165 4.220 -9.171 -7.635 1.00 0.84 C ATOM 2543 CD1 PHE A 165 3.031 -9.669 -7.083 1.00 1.65 C ATOM 2544 CD2 PHE A 165 4.739 -7.949 -7.183 1.00 1.42 C ATOM 2545 CE1 PHE A 165 2.365 -8.949 -6.084 1.00 1.96 C ATOM 2546 CE2 PHE A 165 4.072 -7.230 -6.184 1.00 1.71 C ATOM 2547 CZ PHE A 165 2.886 -7.731 -5.634 1.00 1.66 C ATOM 0 H PHE A 165 6.931 -10.139 -7.177 1.00 0.64 H new ATOM 0 HA PHE A 165 4.592 -11.789 -7.646 1.00 0.72 H new ATOM 0 HB2 PHE A 165 5.789 -9.377 -9.087 1.00 0.74 H new ATOM 0 HB3 PHE A 165 4.274 -10.118 -9.562 1.00 0.74 H new ATOM 0 HD1 PHE A 165 2.628 -10.609 -7.429 1.00 1.65 H new ATOM 0 HD2 PHE A 165 5.654 -7.562 -7.606 1.00 1.42 H new ATOM 0 HE1 PHE A 165 1.449 -9.334 -5.661 1.00 1.96 H new ATOM 0 HE2 PHE A 165 4.472 -6.289 -5.838 1.00 1.71 H new ATOM 0 HZ PHE A 165 2.373 -7.177 -4.862 1.00 1.66 H new ATOM 2557 N GLY A 166 6.495 -13.302 -8.983 1.00 0.94 N ATOM 2558 CA GLY A 166 7.000 -14.220 -10.050 1.00 1.01 C ATOM 2559 C GLY A 166 6.785 -15.672 -9.616 1.00 1.23 C ATOM 2560 O GLY A 166 7.727 -16.396 -9.359 1.00 1.85 O ATOM 0 H GLY A 166 6.647 -13.626 -8.028 1.00 0.94 H new ATOM 0 HA2 GLY A 166 6.478 -14.028 -10.987 1.00 1.01 H new ATOM 0 HA3 GLY A 166 8.059 -14.036 -10.232 1.00 1.01 H new ATOM 2606 N TRP A 170 -0.735 -17.995 -9.437 1.00 1.04 N ATOM 2607 CA TRP A 170 -0.964 -16.588 -8.995 1.00 1.01 C ATOM 2608 C TRP A 170 -2.233 -16.523 -8.141 1.00 0.92 C ATOM 2609 O TRP A 170 -2.432 -15.598 -7.377 1.00 0.95 O ATOM 2610 CB TRP A 170 -1.128 -15.688 -10.223 1.00 1.32 C ATOM 2611 CG TRP A 170 -2.076 -16.325 -11.187 1.00 1.70 C ATOM 2612 CD1 TRP A 170 -1.726 -17.193 -12.163 1.00 2.30 C ATOM 2613 CD2 TRP A 170 -3.520 -16.159 -11.285 1.00 2.52 C ATOM 2614 NE1 TRP A 170 -2.863 -17.571 -12.854 1.00 3.04 N ATOM 2615 CE2 TRP A 170 -3.994 -16.960 -12.350 1.00 3.15 C ATOM 2616 CE3 TRP A 170 -4.454 -15.399 -10.559 1.00 3.32 C ATOM 2617 CZ2 TRP A 170 -5.348 -17.005 -12.684 1.00 4.11 C ATOM 2618 CZ3 TRP A 170 -5.818 -15.441 -10.893 1.00 4.37 C ATOM 2619 CH2 TRP A 170 -6.264 -16.243 -11.953 1.00 4.64 C ATOM 0 HA TRP A 170 -0.112 -16.248 -8.407 1.00 1.01 H new ATOM 0 HB2 TRP A 170 -1.502 -14.709 -9.922 1.00 1.32 H new ATOM 0 HB3 TRP A 170 -0.161 -15.527 -10.700 1.00 1.32 H new ATOM 0 HD1 TRP A 170 -0.723 -17.535 -12.369 1.00 2.30 H new ATOM 0 HE1 TRP A 170 -2.866 -18.221 -13.640 1.00 3.04 H new ATOM 0 HE3 TRP A 170 -4.121 -14.779 -9.740 1.00 3.32 H new ATOM 0 HZ2 TRP A 170 -5.686 -17.624 -13.502 1.00 4.11 H new ATOM 0 HZ3 TRP A 170 -6.527 -14.852 -10.330 1.00 4.37 H new ATOM 0 HH2 TRP A 170 -7.314 -16.272 -12.204 1.00 4.64 H new ATOM 2630 N GLN A 171 -3.094 -17.499 -8.259 1.00 0.88 N ATOM 2631 CA GLN A 171 -4.346 -17.488 -7.449 1.00 0.84 C ATOM 2632 C GLN A 171 -3.986 -17.508 -5.963 1.00 0.75 C ATOM 2633 O GLN A 171 -4.808 -17.208 -5.120 1.00 0.75 O ATOM 2634 CB GLN A 171 -5.197 -18.714 -7.788 1.00 0.88 C ATOM 2635 CG GLN A 171 -5.507 -18.725 -9.286 1.00 1.57 C ATOM 2636 CD GLN A 171 -6.377 -19.939 -9.616 1.00 1.93 C ATOM 2637 OE1 GLN A 171 -7.459 -20.088 -9.084 1.00 2.66 O ATOM 2638 NE2 GLN A 171 -5.948 -20.820 -10.478 1.00 2.34 N ATOM 0 H GLN A 171 -2.984 -18.301 -8.880 1.00 0.88 H new ATOM 0 HA GLN A 171 -4.915 -16.587 -7.676 1.00 0.84 H new ATOM 0 HB2 GLN A 171 -4.668 -19.625 -7.509 1.00 0.88 H new ATOM 0 HB3 GLN A 171 -6.124 -18.696 -7.215 1.00 0.88 H new ATOM 0 HG2 GLN A 171 -6.022 -17.807 -9.569 1.00 1.57 H new ATOM 0 HG3 GLN A 171 -4.581 -18.761 -9.860 1.00 1.57 H new ATOM 0 HE21 GLN A 171 -5.040 -20.696 -10.925 1.00 2.34 H new ATOM 0 HE22 GLN A 171 -6.521 -21.633 -10.705 1.00 2.34 H new ATOM 2647 N THR A 172 -2.767 -17.817 -5.627 1.00 0.67 N ATOM 2648 CA THR A 172 -2.385 -17.800 -4.190 1.00 0.60 C ATOM 2649 C THR A 172 -2.350 -16.333 -3.748 1.00 0.59 C ATOM 2650 O THR A 172 -3.120 -15.918 -2.906 1.00 0.74 O ATOM 2651 CB THR A 172 -1.011 -18.466 -4.012 1.00 0.59 C ATOM 2652 OG1 THR A 172 -1.173 -19.877 -4.057 1.00 0.81 O ATOM 2653 CG2 THR A 172 -0.396 -18.075 -2.663 1.00 0.92 C ATOM 0 H THR A 172 -2.026 -18.078 -6.277 1.00 0.67 H new ATOM 0 HA THR A 172 -3.099 -18.355 -3.581 1.00 0.60 H new ATOM 0 HB THR A 172 -0.349 -18.133 -4.811 1.00 0.59 H new ATOM 0 HG1 THR A 172 -0.301 -20.310 -3.946 1.00 0.81 H new ATOM 0 HG21 THR A 172 0.576 -18.555 -2.554 1.00 0.92 H new ATOM 0 HG22 THR A 172 -0.273 -16.993 -2.619 1.00 0.92 H new ATOM 0 HG23 THR A 172 -1.053 -18.399 -1.856 1.00 0.92 H new ATOM 2661 N VAL A 173 -1.460 -15.550 -4.304 1.00 0.59 N ATOM 2662 CA VAL A 173 -1.365 -14.107 -3.918 1.00 0.58 C ATOM 2663 C VAL A 173 -2.767 -13.500 -3.766 1.00 0.57 C ATOM 2664 O VAL A 173 -3.036 -12.782 -2.823 1.00 0.60 O ATOM 2665 CB VAL A 173 -0.595 -13.349 -5.006 1.00 0.64 C ATOM 2666 CG1 VAL A 173 -0.633 -11.844 -4.721 1.00 1.13 C ATOM 2667 CG2 VAL A 173 0.859 -13.826 -5.019 1.00 1.01 C ATOM 0 H VAL A 173 -0.791 -15.849 -5.013 1.00 0.59 H new ATOM 0 HA VAL A 173 -0.844 -14.025 -2.964 1.00 0.58 H new ATOM 0 HB VAL A 173 -1.057 -13.541 -5.974 1.00 0.64 H new ATOM 0 HG11 VAL A 173 -0.084 -11.313 -5.498 1.00 1.13 H new ATOM 0 HG12 VAL A 173 -1.668 -11.502 -4.709 1.00 1.13 H new ATOM 0 HG13 VAL A 173 -0.174 -11.645 -3.752 1.00 1.13 H new ATOM 0 HG21 VAL A 173 1.411 -13.290 -5.791 1.00 1.01 H new ATOM 0 HG22 VAL A 173 1.314 -13.633 -4.047 1.00 1.01 H new ATOM 0 HG23 VAL A 173 0.889 -14.895 -5.228 1.00 1.01 H new ATOM 2677 N THR A 174 -3.663 -13.779 -4.673 1.00 0.55 N ATOM 2678 CA THR A 174 -5.038 -13.208 -4.553 1.00 0.56 C ATOM 2679 C THR A 174 -5.683 -13.711 -3.258 1.00 0.53 C ATOM 2680 O THR A 174 -6.371 -12.979 -2.573 1.00 0.55 O ATOM 2681 CB THR A 174 -5.885 -13.657 -5.749 1.00 0.59 C ATOM 2682 OG1 THR A 174 -5.958 -15.076 -5.770 1.00 1.37 O ATOM 2683 CG2 THR A 174 -5.251 -13.158 -7.048 1.00 1.27 C ATOM 0 H THR A 174 -3.506 -14.373 -5.487 1.00 0.55 H new ATOM 0 HA THR A 174 -4.980 -12.120 -4.537 1.00 0.56 H new ATOM 0 HB THR A 174 -6.888 -13.241 -5.657 1.00 0.59 H new ATOM 0 HG1 THR A 174 -5.163 -15.451 -5.336 1.00 1.37 H new ATOM 0 HG21 THR A 174 -5.857 -13.480 -7.895 1.00 1.27 H new ATOM 0 HG22 THR A 174 -5.198 -12.069 -7.032 1.00 1.27 H new ATOM 0 HG23 THR A 174 -4.246 -13.569 -7.144 1.00 1.27 H new ATOM 2691 N ILE A 175 -5.470 -14.951 -2.918 1.00 0.51 N ATOM 2692 CA ILE A 175 -6.074 -15.503 -1.670 1.00 0.50 C ATOM 2693 C ILE A 175 -5.227 -15.075 -0.466 1.00 0.49 C ATOM 2694 O ILE A 175 -5.685 -15.055 0.659 1.00 0.49 O ATOM 2695 CB ILE A 175 -6.092 -17.028 -1.783 1.00 0.52 C ATOM 2696 CG1 ILE A 175 -7.029 -17.436 -2.922 1.00 0.77 C ATOM 2697 CG2 ILE A 175 -6.578 -17.657 -0.477 1.00 0.87 C ATOM 2698 CD1 ILE A 175 -6.816 -18.913 -3.246 1.00 0.89 C ATOM 0 H ILE A 175 -4.902 -15.609 -3.451 1.00 0.51 H new ATOM 0 HA ILE A 175 -7.089 -15.129 -1.536 1.00 0.50 H new ATOM 0 HB ILE A 175 -5.080 -17.380 -1.985 1.00 0.52 H new ATOM 0 HG12 ILE A 175 -8.066 -17.261 -2.636 1.00 0.77 H new ATOM 0 HG13 ILE A 175 -6.834 -16.826 -3.804 1.00 0.77 H new ATOM 0 HG21 ILE A 175 -6.584 -18.742 -0.576 1.00 0.87 H new ATOM 0 HG22 ILE A 175 -5.910 -17.371 0.335 1.00 0.87 H new ATOM 0 HG23 ILE A 175 -7.587 -17.307 -0.258 1.00 0.87 H new ATOM 0 HD11 ILE A 175 -7.482 -19.207 -4.057 1.00 0.89 H new ATOM 0 HD12 ILE A 175 -5.781 -19.073 -3.550 1.00 0.89 H new ATOM 0 HD13 ILE A 175 -7.032 -19.514 -2.363 1.00 0.89 H new ATOM 2710 N PHE A 176 -3.998 -14.714 -0.710 1.00 0.48 N ATOM 2711 CA PHE A 176 -3.100 -14.258 0.391 1.00 0.49 C ATOM 2712 C PHE A 176 -3.555 -12.870 0.872 1.00 0.49 C ATOM 2713 O PHE A 176 -4.112 -12.719 1.941 1.00 0.56 O ATOM 2714 CB PHE A 176 -1.662 -14.166 -0.176 1.00 0.51 C ATOM 2715 CG PHE A 176 -0.662 -14.417 0.936 1.00 0.51 C ATOM 2716 CD1 PHE A 176 -0.537 -15.704 1.474 1.00 1.41 C ATOM 2717 CD2 PHE A 176 0.124 -13.371 1.435 1.00 1.23 C ATOM 2718 CE1 PHE A 176 0.374 -15.947 2.508 1.00 1.52 C ATOM 2719 CE2 PHE A 176 1.034 -13.614 2.472 1.00 1.22 C ATOM 2720 CZ PHE A 176 1.159 -14.902 3.008 1.00 0.76 C ATOM 0 H PHE A 176 -3.571 -14.715 -1.636 1.00 0.48 H new ATOM 0 HA PHE A 176 -3.133 -14.954 1.230 1.00 0.49 H new ATOM 0 HB2 PHE A 176 -1.527 -14.897 -0.973 1.00 0.51 H new ATOM 0 HB3 PHE A 176 -1.495 -13.182 -0.614 1.00 0.51 H new ATOM 0 HD1 PHE A 176 -1.145 -16.510 1.090 1.00 1.41 H new ATOM 0 HD2 PHE A 176 0.029 -12.378 1.021 1.00 1.23 H new ATOM 0 HE1 PHE A 176 0.471 -16.941 2.920 1.00 1.52 H new ATOM 0 HE2 PHE A 176 1.640 -12.808 2.858 1.00 1.22 H new ATOM 0 HZ PHE A 176 1.861 -15.089 3.807 1.00 0.76 H new ATOM 2730 N VAL A 177 -3.300 -11.857 0.085 1.00 0.46 N ATOM 2731 CA VAL A 177 -3.683 -10.467 0.469 1.00 0.48 C ATOM 2732 C VAL A 177 -5.144 -10.430 0.921 1.00 0.44 C ATOM 2733 O VAL A 177 -5.469 -9.814 1.917 1.00 0.57 O ATOM 2734 CB VAL A 177 -3.484 -9.552 -0.750 1.00 0.56 C ATOM 2735 CG1 VAL A 177 -4.162 -8.196 -0.521 1.00 1.20 C ATOM 2736 CG2 VAL A 177 -1.985 -9.336 -0.976 1.00 1.24 C ATOM 0 H VAL A 177 -2.836 -11.936 -0.820 1.00 0.46 H new ATOM 0 HA VAL A 177 -3.060 -10.125 1.296 1.00 0.48 H new ATOM 0 HB VAL A 177 -3.932 -10.025 -1.624 1.00 0.56 H new ATOM 0 HG11 VAL A 177 -4.011 -7.561 -1.394 1.00 1.20 H new ATOM 0 HG12 VAL A 177 -5.230 -8.345 -0.362 1.00 1.20 H new ATOM 0 HG13 VAL A 177 -3.728 -7.716 0.356 1.00 1.20 H new ATOM 0 HG21 VAL A 177 -1.837 -8.688 -1.840 1.00 1.24 H new ATOM 0 HG22 VAL A 177 -1.547 -8.870 -0.093 1.00 1.24 H new ATOM 0 HG23 VAL A 177 -1.502 -10.296 -1.156 1.00 1.24 H new ATOM 2746 N ALA A 178 -6.031 -11.070 0.224 1.00 0.45 N ATOM 2747 CA ALA A 178 -7.449 -11.035 0.669 1.00 0.43 C ATOM 2748 C ALA A 178 -7.537 -11.598 2.088 1.00 0.40 C ATOM 2749 O ALA A 178 -8.268 -11.103 2.919 1.00 0.40 O ATOM 2750 CB ALA A 178 -8.312 -11.877 -0.272 1.00 0.46 C ATOM 0 H ALA A 178 -5.844 -11.609 -0.622 1.00 0.45 H new ATOM 0 HA ALA A 178 -7.811 -10.007 0.654 1.00 0.43 H new ATOM 0 HB1 ALA A 178 -9.350 -11.846 0.061 1.00 0.46 H new ATOM 0 HB2 ALA A 178 -8.243 -11.477 -1.284 1.00 0.46 H new ATOM 0 HB3 ALA A 178 -7.959 -12.908 -0.264 1.00 0.46 H new ATOM 2756 N GLY A 179 -6.806 -12.643 2.360 1.00 0.41 N ATOM 2757 CA GLY A 179 -6.852 -13.270 3.713 1.00 0.43 C ATOM 2758 C GLY A 179 -6.337 -12.316 4.801 1.00 0.43 C ATOM 2759 O GLY A 179 -6.913 -12.224 5.867 1.00 0.48 O ATOM 0 H GLY A 179 -6.174 -13.094 1.699 1.00 0.41 H new ATOM 0 HA2 GLY A 179 -7.876 -13.564 3.943 1.00 0.43 H new ATOM 0 HA3 GLY A 179 -6.251 -14.180 3.713 1.00 0.43 H new ATOM 2763 N VAL A 180 -5.243 -11.635 4.573 1.00 0.42 N ATOM 2764 CA VAL A 180 -4.702 -10.739 5.641 1.00 0.45 C ATOM 2765 C VAL A 180 -5.549 -9.467 5.800 1.00 0.45 C ATOM 2766 O VAL A 180 -5.856 -9.039 6.894 1.00 0.43 O ATOM 2767 CB VAL A 180 -3.235 -10.362 5.331 1.00 0.49 C ATOM 2768 CG1 VAL A 180 -2.521 -11.562 4.706 1.00 1.31 C ATOM 2769 CG2 VAL A 180 -3.166 -9.171 4.358 1.00 1.41 C ATOM 0 H VAL A 180 -4.706 -11.659 3.706 1.00 0.42 H new ATOM 0 HA VAL A 180 -4.744 -11.287 6.582 1.00 0.45 H new ATOM 0 HB VAL A 180 -2.749 -10.079 6.265 1.00 0.49 H new ATOM 0 HG11 VAL A 180 -1.487 -11.297 4.487 1.00 1.31 H new ATOM 0 HG12 VAL A 180 -2.541 -12.400 5.402 1.00 1.31 H new ATOM 0 HG13 VAL A 180 -3.026 -11.845 3.782 1.00 1.31 H new ATOM 0 HG21 VAL A 180 -2.123 -8.926 4.156 1.00 1.41 H new ATOM 0 HG22 VAL A 180 -3.664 -9.434 3.425 1.00 1.41 H new ATOM 0 HG23 VAL A 180 -3.662 -8.308 4.803 1.00 1.41 H new ATOM 2779 N LEU A 181 -5.900 -8.849 4.705 1.00 0.49 N ATOM 2780 CA LEU A 181 -6.694 -7.590 4.768 1.00 0.50 C ATOM 2781 C LEU A 181 -8.040 -7.868 5.441 1.00 0.49 C ATOM 2782 O LEU A 181 -8.455 -7.189 6.358 1.00 0.51 O ATOM 2783 CB LEU A 181 -6.913 -7.100 3.328 1.00 0.56 C ATOM 2784 CG LEU A 181 -7.785 -5.826 3.268 1.00 0.64 C ATOM 2785 CD1 LEU A 181 -9.276 -6.144 3.520 1.00 1.60 C ATOM 2786 CD2 LEU A 181 -7.306 -4.797 4.298 1.00 1.20 C ATOM 0 H LEU A 181 -5.669 -9.165 3.763 1.00 0.49 H new ATOM 0 HA LEU A 181 -6.169 -6.830 5.347 1.00 0.50 H new ATOM 0 HB2 LEU A 181 -5.947 -6.899 2.864 1.00 0.56 H new ATOM 0 HB3 LEU A 181 -7.388 -7.890 2.746 1.00 0.56 H new ATOM 0 HG LEU A 181 -7.684 -5.414 2.264 1.00 0.64 H new ATOM 0 HD11 LEU A 181 -9.858 -5.224 3.470 1.00 1.60 H new ATOM 0 HD12 LEU A 181 -9.633 -6.841 2.761 1.00 1.60 H new ATOM 0 HD13 LEU A 181 -9.391 -6.593 4.507 1.00 1.60 H new ATOM 0 HD21 LEU A 181 -7.932 -3.907 4.241 1.00 1.20 H new ATOM 0 HD22 LEU A 181 -7.374 -5.225 5.298 1.00 1.20 H new ATOM 0 HD23 LEU A 181 -6.271 -4.527 4.088 1.00 1.20 H new ATOM 2798 N THR A 182 -8.720 -8.873 4.957 1.00 0.49 N ATOM 2799 CA THR A 182 -10.054 -9.230 5.518 1.00 0.51 C ATOM 2800 C THR A 182 -9.920 -9.540 7.007 1.00 0.48 C ATOM 2801 O THR A 182 -10.791 -9.235 7.796 1.00 0.51 O ATOM 2802 CB THR A 182 -10.621 -10.454 4.792 1.00 0.54 C ATOM 2803 OG1 THR A 182 -9.650 -11.490 4.773 1.00 1.16 O ATOM 2804 CG2 THR A 182 -11.000 -10.076 3.358 1.00 1.07 C ATOM 0 H THR A 182 -8.405 -9.467 4.190 1.00 0.49 H new ATOM 0 HA THR A 182 -10.731 -8.387 5.380 1.00 0.51 H new ATOM 0 HB THR A 182 -11.510 -10.803 5.317 1.00 0.54 H new ATOM 0 HG1 THR A 182 -9.051 -11.363 4.008 1.00 1.16 H new ATOM 0 HG21 THR A 182 -11.403 -10.950 2.846 1.00 1.07 H new ATOM 0 HG22 THR A 182 -11.752 -9.287 3.376 1.00 1.07 H new ATOM 0 HG23 THR A 182 -10.115 -9.721 2.829 1.00 1.07 H new ATOM 2812 N ALA A 183 -8.838 -10.163 7.388 1.00 0.45 N ATOM 2813 CA ALA A 183 -8.638 -10.522 8.821 1.00 0.44 C ATOM 2814 C ALA A 183 -8.688 -9.263 9.688 1.00 0.44 C ATOM 2815 O ALA A 183 -9.178 -9.271 10.800 1.00 0.50 O ATOM 2816 CB ALA A 183 -7.270 -11.183 8.982 1.00 0.46 C ATOM 0 H ALA A 183 -8.080 -10.440 6.765 1.00 0.45 H new ATOM 0 HA ALA A 183 -9.427 -11.206 9.134 1.00 0.44 H new ATOM 0 HB1 ALA A 183 -7.115 -11.449 10.028 1.00 0.46 H new ATOM 0 HB2 ALA A 183 -7.226 -12.083 8.368 1.00 0.46 H new ATOM 0 HB3 ALA A 183 -6.491 -10.489 8.665 1.00 0.46 H new ATOM 2822 N SER A 184 -8.167 -8.179 9.185 1.00 0.47 N ATOM 2823 CA SER A 184 -8.171 -6.912 9.965 1.00 0.51 C ATOM 2824 C SER A 184 -9.527 -6.229 9.810 1.00 0.54 C ATOM 2825 O SER A 184 -10.036 -5.606 10.720 1.00 0.56 O ATOM 2826 CB SER A 184 -7.071 -5.989 9.440 1.00 0.62 C ATOM 2827 OG SER A 184 -7.361 -5.630 8.095 1.00 1.55 O ATOM 0 H SER A 184 -7.737 -8.117 8.262 1.00 0.47 H new ATOM 0 HA SER A 184 -7.990 -7.129 11.018 1.00 0.51 H new ATOM 0 HB2 SER A 184 -7.003 -5.095 10.060 1.00 0.62 H new ATOM 0 HB3 SER A 184 -6.104 -6.489 9.495 1.00 0.62 H new ATOM 0 HG SER A 184 -7.403 -6.438 7.543 1.00 1.55 H new ATOM 2833 N LEU A 185 -10.117 -6.340 8.659 1.00 0.58 N ATOM 2834 CA LEU A 185 -11.436 -5.697 8.446 1.00 0.69 C ATOM 2835 C LEU A 185 -12.466 -6.372 9.357 1.00 0.69 C ATOM 2836 O LEU A 185 -13.434 -5.763 9.769 1.00 0.79 O ATOM 2837 CB LEU A 185 -11.830 -5.846 6.970 1.00 0.71 C ATOM 2838 CG LEU A 185 -12.970 -4.887 6.579 1.00 0.79 C ATOM 2839 CD1 LEU A 185 -12.579 -3.422 6.860 1.00 1.62 C ATOM 2840 CD2 LEU A 185 -13.253 -5.077 5.083 1.00 1.18 C ATOM 0 H LEU A 185 -9.744 -6.848 7.857 1.00 0.58 H new ATOM 0 HA LEU A 185 -11.393 -4.636 8.690 1.00 0.69 H new ATOM 0 HB2 LEU A 185 -10.961 -5.652 6.341 1.00 0.71 H new ATOM 0 HB3 LEU A 185 -12.139 -6.874 6.779 1.00 0.71 H new ATOM 0 HG LEU A 185 -13.858 -5.110 7.170 1.00 0.79 H new ATOM 0 HD11 LEU A 185 -13.401 -2.765 6.575 1.00 1.62 H new ATOM 0 HD12 LEU A 185 -12.368 -3.299 7.922 1.00 1.62 H new ATOM 0 HD13 LEU A 185 -11.692 -3.165 6.281 1.00 1.62 H new ATOM 0 HD21 LEU A 185 -14.058 -4.409 4.777 1.00 1.18 H new ATOM 0 HD22 LEU A 185 -12.354 -4.848 4.511 1.00 1.18 H new ATOM 0 HD23 LEU A 185 -13.548 -6.110 4.897 1.00 1.18 H new ATOM 2852 N THR A 186 -12.267 -7.631 9.680 1.00 0.62 N ATOM 2853 CA THR A 186 -13.240 -8.344 10.571 1.00 0.68 C ATOM 2854 C THR A 186 -12.782 -8.306 12.023 1.00 0.62 C ATOM 2855 O THR A 186 -13.545 -8.630 12.911 1.00 0.64 O ATOM 2856 CB THR A 186 -13.416 -9.798 10.130 1.00 0.73 C ATOM 2857 OG1 THR A 186 -14.264 -10.462 11.056 1.00 0.89 O ATOM 2858 CG2 THR A 186 -12.066 -10.527 10.063 1.00 1.00 C ATOM 0 H THR A 186 -11.476 -8.193 9.366 1.00 0.62 H new ATOM 0 HA THR A 186 -14.197 -7.828 10.490 1.00 0.68 H new ATOM 0 HB THR A 186 -13.857 -9.807 9.133 1.00 0.73 H new ATOM 0 HG1 THR A 186 -14.253 -9.984 11.911 1.00 0.89 H new ATOM 0 HG21 THR A 186 -12.225 -11.558 9.747 1.00 1.00 H new ATOM 0 HG22 THR A 186 -11.416 -10.024 9.347 1.00 1.00 H new ATOM 0 HG23 THR A 186 -11.598 -10.517 11.047 1.00 1.00 H new ATOM 2866 N ILE A 187 -11.565 -7.921 12.309 1.00 0.64 N ATOM 2867 CA ILE A 187 -11.159 -7.896 13.746 1.00 0.66 C ATOM 2868 C ILE A 187 -11.852 -6.683 14.375 1.00 0.66 C ATOM 2869 O ILE A 187 -12.228 -6.694 15.530 1.00 0.75 O ATOM 2870 CB ILE A 187 -9.622 -7.816 13.863 1.00 0.72 C ATOM 2871 CG1 ILE A 187 -9.174 -8.393 15.213 1.00 0.88 C ATOM 2872 CG2 ILE A 187 -9.136 -6.361 13.740 1.00 1.57 C ATOM 2873 CD1 ILE A 187 -7.668 -8.172 15.390 1.00 0.87 C ATOM 0 H ILE A 187 -10.856 -7.632 11.636 1.00 0.64 H new ATOM 0 HA ILE A 187 -11.457 -8.805 14.269 1.00 0.66 H new ATOM 0 HB ILE A 187 -9.186 -8.397 13.050 1.00 0.72 H new ATOM 0 HG12 ILE A 187 -9.720 -7.913 16.025 1.00 0.88 H new ATOM 0 HG13 ILE A 187 -9.404 -9.457 15.260 1.00 0.88 H new ATOM 0 HG21 ILE A 187 -8.050 -6.332 13.826 1.00 1.57 H new ATOM 0 HG22 ILE A 187 -9.435 -5.958 12.772 1.00 1.57 H new ATOM 0 HG23 ILE A 187 -9.579 -5.761 14.535 1.00 1.57 H new ATOM 0 HD11 ILE A 187 -7.350 -8.582 16.349 1.00 0.87 H new ATOM 0 HD12 ILE A 187 -7.130 -8.673 14.585 1.00 0.87 H new ATOM 0 HD13 ILE A 187 -7.451 -7.104 15.362 1.00 0.87 H new ATOM 2885 N TRP A 188 -12.007 -5.630 13.617 1.00 0.64 N ATOM 2886 CA TRP A 188 -12.655 -4.402 14.155 1.00 0.70 C ATOM 2887 C TRP A 188 -14.052 -4.751 14.691 1.00 0.81 C ATOM 2888 O TRP A 188 -14.578 -4.073 15.551 1.00 1.06 O ATOM 2889 CB TRP A 188 -12.753 -3.356 13.015 1.00 0.85 C ATOM 2890 CG TRP A 188 -12.239 -2.023 13.469 1.00 0.92 C ATOM 2891 CD1 TRP A 188 -11.019 -1.521 13.169 1.00 1.76 C ATOM 2892 CD2 TRP A 188 -12.905 -1.022 14.289 1.00 1.04 C ATOM 2893 NE1 TRP A 188 -10.894 -0.275 13.756 1.00 2.01 N ATOM 2894 CE2 TRP A 188 -12.031 0.077 14.457 1.00 1.34 C ATOM 2895 CE3 TRP A 188 -14.171 -0.963 14.897 1.00 1.79 C ATOM 2896 CZ2 TRP A 188 -12.400 1.197 15.203 1.00 1.47 C ATOM 2897 CZ3 TRP A 188 -14.546 0.163 15.649 1.00 2.17 C ATOM 2898 CH2 TRP A 188 -13.662 1.241 15.801 1.00 1.71 C ATOM 0 H TRP A 188 -11.710 -5.569 12.643 1.00 0.64 H new ATOM 0 HA TRP A 188 -12.066 -3.989 14.974 1.00 0.70 H new ATOM 0 HB2 TRP A 188 -12.180 -3.697 12.153 1.00 0.85 H new ATOM 0 HB3 TRP A 188 -13.790 -3.260 12.692 1.00 0.85 H new ATOM 0 HD1 TRP A 188 -10.267 -2.012 12.570 1.00 1.76 H new ATOM 0 HE1 TRP A 188 -10.064 0.312 13.681 1.00 2.01 H new ATOM 0 HE3 TRP A 188 -14.859 -1.788 14.785 1.00 1.79 H new ATOM 0 HZ2 TRP A 188 -11.715 2.024 15.317 1.00 1.47 H new ATOM 0 HZ3 TRP A 188 -15.521 0.199 16.113 1.00 2.17 H new ATOM 0 HH2 TRP A 188 -13.956 2.104 16.380 1.00 1.71 H new