USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=30 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 -66:sc= 0.526 USER MOD Set 1.2: A 127 THR OG1 : rot -60:sc= -2.2! USER MOD Single : A 15 SER OG : rot -7:sc= 0.732! USER MOD Single : A 16 SER OG : rot 180:sc= -0.0314 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 20 MET CE :methyl -149:sc= -0.262 (180deg=-1.64) USER MOD Single : A 21 LYS NZ :NH3+ -115:sc= -0.592 (180deg=-1.33) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0427 K(o=-0.043,f=-0.56) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -140:sc=9.63e-05 USER MOD Single : A 57 LYS NZ :NH3+ -148:sc= -0.286 (180deg=-1.3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -8:sc= -0.96! USER MOD Single : A 62 CYS SG : rot 175:sc= -1.06 USER MOD Single : A 64 LYS NZ :NH3+ -124:sc= -1.15 (180deg=-3.45!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 79 MET CE :methyl -162:sc= 0 (180deg=-0.0426) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 64:sc= 0.164 USER MOD Single : A 119 LYS NZ :NH3+ -157:sc= -1.13 (180deg=-1.83!) USER MOD Single : A 123 LYS NZ :NH3+ -159:sc= -0.191 (180deg=-0.908) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 80:sc= 0.335 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 140 THR OG1 : rot -12:sc= -1.31 USER MOD Single : A 153 GLN : amide:sc= -3.13! C(o=-3.1!,f=-3!) USER MOD Single : A 155 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.2) USER MOD Single : A 163 SER OG : rot 180:sc= -0.406 USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 THR OG1 : rot -34:sc= 0.936 USER MOD Single : A 182 THR OG1 : rot 105:sc= 0.601 USER MOD Single : A 184 SER OG : rot 162:sc= -0.476 USER MOD Single : A 186 THR OG1 : rot -25:sc= 0.4 USER MOD ----------------------------------------------------------------- ATOM 176 N SER A 15 20.864 4.356 -1.534 1.00 1.07 N ATOM 177 CA SER A 15 20.289 5.379 -0.607 1.00 0.91 C ATOM 178 C SER A 15 18.794 5.103 -0.412 1.00 0.75 C ATOM 179 O SER A 15 18.025 5.102 -1.353 1.00 0.78 O ATOM 180 CB SER A 15 20.498 6.784 -1.170 1.00 0.99 C ATOM 181 OG SER A 15 19.510 7.044 -2.158 1.00 1.38 O ATOM 0 HA SER A 15 20.797 5.317 0.356 1.00 0.91 H new ATOM 0 HB2 SER A 15 20.433 7.522 -0.371 1.00 0.99 H new ATOM 0 HB3 SER A 15 21.494 6.870 -1.604 1.00 0.99 H new ATOM 0 HG SER A 15 18.999 6.226 -2.332 1.00 1.38 H new ATOM 187 N SER A 16 18.378 4.860 0.802 1.00 0.72 N ATOM 188 CA SER A 16 16.936 4.573 1.058 1.00 0.82 C ATOM 189 C SER A 16 16.070 5.675 0.433 1.00 0.81 C ATOM 190 O SER A 16 14.888 5.496 0.212 1.00 0.92 O ATOM 191 CB SER A 16 16.699 4.499 2.579 1.00 1.06 C ATOM 192 OG SER A 16 16.133 3.236 2.900 1.00 1.64 O ATOM 0 H SER A 16 18.975 4.848 1.629 1.00 0.72 H new ATOM 0 HA SER A 16 16.662 3.619 0.607 1.00 0.82 H new ATOM 0 HB2 SER A 16 17.639 4.637 3.113 1.00 1.06 H new ATOM 0 HB3 SER A 16 16.032 5.301 2.895 1.00 1.06 H new ATOM 0 HG SER A 16 15.981 3.182 3.867 1.00 1.64 H new ATOM 198 N GLU A 17 16.642 6.810 0.147 1.00 0.80 N ATOM 199 CA GLU A 17 15.839 7.906 -0.460 1.00 0.94 C ATOM 200 C GLU A 17 15.274 7.450 -1.807 1.00 0.85 C ATOM 201 O GLU A 17 14.222 7.888 -2.226 1.00 0.89 O ATOM 202 CB GLU A 17 16.711 9.151 -0.644 1.00 1.13 C ATOM 203 CG GLU A 17 15.828 10.369 -0.921 1.00 1.71 C ATOM 204 CD GLU A 17 15.123 10.794 0.367 1.00 2.26 C ATOM 205 OE1 GLU A 17 15.803 10.952 1.368 1.00 2.68 O ATOM 206 OE2 GLU A 17 13.914 10.955 0.332 1.00 2.90 O ATOM 0 H GLU A 17 17.626 7.026 0.306 1.00 0.80 H new ATOM 0 HA GLU A 17 15.010 8.154 0.203 1.00 0.94 H new ATOM 0 HB2 GLU A 17 17.310 9.321 0.250 1.00 1.13 H new ATOM 0 HB3 GLU A 17 17.406 9.000 -1.470 1.00 1.13 H new ATOM 0 HG2 GLU A 17 16.434 11.190 -1.304 1.00 1.71 H new ATOM 0 HG3 GLU A 17 15.092 10.130 -1.689 1.00 1.71 H new ATOM 213 N GLN A 18 15.952 6.565 -2.487 1.00 0.80 N ATOM 214 CA GLN A 18 15.428 6.082 -3.796 1.00 0.83 C ATOM 215 C GLN A 18 14.104 5.342 -3.557 1.00 0.68 C ATOM 216 O GLN A 18 13.223 5.342 -4.394 1.00 0.69 O ATOM 217 CB GLN A 18 16.452 5.126 -4.437 1.00 0.96 C ATOM 218 CG GLN A 18 17.472 5.927 -5.251 1.00 1.53 C ATOM 219 CD GLN A 18 18.600 5.001 -5.713 1.00 2.23 C ATOM 220 OE1 GLN A 18 18.440 3.797 -5.741 1.00 2.69 O ATOM 221 NE2 GLN A 18 19.741 5.516 -6.081 1.00 3.07 N ATOM 0 H GLN A 18 16.840 6.158 -2.195 1.00 0.80 H new ATOM 0 HA GLN A 18 15.261 6.926 -4.466 1.00 0.83 H new ATOM 0 HB2 GLN A 18 16.961 4.552 -3.663 1.00 0.96 H new ATOM 0 HB3 GLN A 18 15.941 4.410 -5.081 1.00 0.96 H new ATOM 0 HG2 GLN A 18 16.986 6.384 -6.113 1.00 1.53 H new ATOM 0 HG3 GLN A 18 17.878 6.738 -4.647 1.00 1.53 H new ATOM 0 HE21 GLN A 18 19.876 6.527 -6.058 1.00 3.07 H new ATOM 0 HE22 GLN A 18 20.498 4.908 -6.392 1.00 3.07 H new ATOM 230 N ILE A 19 13.957 4.722 -2.414 1.00 0.59 N ATOM 231 CA ILE A 19 12.688 3.995 -2.114 1.00 0.58 C ATOM 232 C ILE A 19 11.570 5.017 -1.901 1.00 0.52 C ATOM 233 O ILE A 19 10.450 4.832 -2.335 1.00 0.59 O ATOM 234 CB ILE A 19 12.869 3.124 -0.873 1.00 0.64 C ATOM 235 CG1 ILE A 19 14.112 2.250 -1.052 1.00 0.74 C ATOM 236 CG2 ILE A 19 11.641 2.231 -0.688 1.00 0.73 C ATOM 237 CD1 ILE A 19 14.349 1.432 0.217 1.00 0.81 C ATOM 0 H ILE A 19 14.661 4.688 -1.676 1.00 0.59 H new ATOM 0 HA ILE A 19 12.424 3.345 -2.948 1.00 0.58 H new ATOM 0 HB ILE A 19 12.987 3.759 0.005 1.00 0.64 H new ATOM 0 HG12 ILE A 19 13.982 1.586 -1.906 1.00 0.74 H new ATOM 0 HG13 ILE A 19 14.981 2.874 -1.262 1.00 0.74 H new ATOM 0 HG21 ILE A 19 11.773 1.610 0.198 1.00 0.73 H new ATOM 0 HG22 ILE A 19 10.754 2.853 -0.567 1.00 0.73 H new ATOM 0 HG23 ILE A 19 11.520 1.593 -1.563 1.00 0.73 H new ATOM 0 HD11 ILE A 19 15.235 0.810 0.089 1.00 0.81 H new ATOM 0 HD12 ILE A 19 14.498 2.105 1.061 1.00 0.81 H new ATOM 0 HD13 ILE A 19 13.484 0.797 0.407 1.00 0.81 H new ATOM 249 N MET A 20 11.889 6.116 -1.274 1.00 0.51 N ATOM 250 CA MET A 20 10.897 7.201 -1.058 1.00 0.60 C ATOM 251 C MET A 20 10.270 7.638 -2.388 1.00 0.55 C ATOM 252 O MET A 20 9.091 7.911 -2.488 1.00 0.59 O ATOM 253 CB MET A 20 11.663 8.418 -0.478 1.00 0.82 C ATOM 254 CG MET A 20 10.680 9.333 0.294 1.00 1.07 C ATOM 255 SD MET A 20 10.496 8.743 2.003 1.00 1.43 S ATOM 256 CE MET A 20 8.740 9.155 2.214 1.00 0.93 C ATOM 0 H MET A 20 12.816 6.309 -0.895 1.00 0.51 H new ATOM 0 HA MET A 20 10.111 6.846 -0.391 1.00 0.60 H new ATOM 0 HB2 MET A 20 12.457 8.077 0.187 1.00 0.82 H new ATOM 0 HB3 MET A 20 12.140 8.977 -1.283 1.00 0.82 H new ATOM 0 HG2 MET A 20 11.047 10.359 0.292 1.00 1.07 H new ATOM 0 HG3 MET A 20 9.710 9.341 -0.203 1.00 1.07 H new ATOM 0 HE1 MET A 20 8.547 9.401 3.258 1.00 0.93 H new ATOM 0 HE2 MET A 20 8.489 10.010 1.587 1.00 0.93 H new ATOM 0 HE3 MET A 20 8.128 8.301 1.924 1.00 0.93 H new ATOM 266 N LYS A 21 11.094 7.712 -3.410 1.00 0.57 N ATOM 267 CA LYS A 21 10.629 8.140 -4.764 1.00 0.61 C ATOM 268 C LYS A 21 9.797 7.053 -5.440 1.00 0.53 C ATOM 269 O LYS A 21 8.697 7.306 -5.886 1.00 0.51 O ATOM 270 CB LYS A 21 11.843 8.427 -5.645 1.00 0.72 C ATOM 271 CG LYS A 21 12.664 9.559 -5.034 1.00 1.09 C ATOM 272 CD LYS A 21 13.804 9.925 -5.983 1.00 1.24 C ATOM 273 CE LYS A 21 14.585 11.100 -5.401 1.00 1.80 C ATOM 274 NZ LYS A 21 15.259 10.673 -4.143 1.00 2.40 N ATOM 0 H LYS A 21 12.088 7.489 -3.357 1.00 0.57 H new ATOM 0 HA LYS A 21 10.013 9.030 -4.639 1.00 0.61 H new ATOM 0 HB2 LYS A 21 12.456 7.531 -5.740 1.00 0.72 H new ATOM 0 HB3 LYS A 21 11.519 8.700 -6.649 1.00 0.72 H new ATOM 0 HG2 LYS A 21 12.031 10.428 -4.856 1.00 1.09 H new ATOM 0 HG3 LYS A 21 13.064 9.253 -4.067 1.00 1.09 H new ATOM 0 HD2 LYS A 21 14.464 9.069 -6.125 1.00 1.24 H new ATOM 0 HD3 LYS A 21 13.407 10.187 -6.964 1.00 1.24 H new ATOM 0 HE2 LYS A 21 15.324 11.452 -6.121 1.00 1.80 H new ATOM 0 HE3 LYS A 21 13.913 11.934 -5.201 1.00 1.80 H new ATOM 0 HZ1 LYS A 21 14.859 11.198 -3.339 1.00 2.40 H new ATOM 0 HZ2 LYS A 21 15.111 9.654 -3.999 1.00 2.40 H new ATOM 0 HZ3 LYS A 21 16.278 10.869 -4.212 1.00 2.40 H new ATOM 288 N THR A 22 10.294 5.847 -5.530 1.00 0.53 N ATOM 289 CA THR A 22 9.497 4.779 -6.195 1.00 0.52 C ATOM 290 C THR A 22 8.175 4.597 -5.449 1.00 0.45 C ATOM 291 O THR A 22 7.138 4.386 -6.044 1.00 0.48 O ATOM 292 CB THR A 22 10.293 3.470 -6.177 1.00 0.55 C ATOM 293 OG1 THR A 22 11.502 3.645 -6.905 1.00 0.64 O ATOM 294 CG2 THR A 22 9.469 2.355 -6.819 1.00 0.62 C ATOM 0 H THR A 22 11.206 5.559 -5.176 1.00 0.53 H new ATOM 0 HA THR A 22 9.290 5.059 -7.228 1.00 0.52 H new ATOM 0 HB THR A 22 10.521 3.199 -5.146 1.00 0.55 H new ATOM 0 HG1 THR A 22 12.014 2.810 -6.894 1.00 0.64 H new ATOM 0 HG21 THR A 22 10.039 1.426 -6.804 1.00 0.62 H new ATOM 0 HG22 THR A 22 8.542 2.221 -6.262 1.00 0.62 H new ATOM 0 HG23 THR A 22 9.237 2.622 -7.850 1.00 0.62 H new ATOM 302 N GLY A 23 8.208 4.674 -4.149 1.00 0.42 N ATOM 303 CA GLY A 23 6.958 4.502 -3.356 1.00 0.43 C ATOM 304 C GLY A 23 5.942 5.590 -3.725 1.00 0.41 C ATOM 305 O GLY A 23 4.821 5.295 -4.090 1.00 0.47 O ATOM 0 H GLY A 23 9.049 4.849 -3.599 1.00 0.42 H new ATOM 0 HA2 GLY A 23 6.531 3.517 -3.545 1.00 0.43 H new ATOM 0 HA3 GLY A 23 7.185 4.552 -2.291 1.00 0.43 H new ATOM 309 N ALA A 24 6.309 6.841 -3.630 1.00 0.40 N ATOM 310 CA ALA A 24 5.351 7.936 -3.973 1.00 0.41 C ATOM 311 C ALA A 24 4.952 7.865 -5.452 1.00 0.41 C ATOM 312 O ALA A 24 3.891 8.308 -5.847 1.00 0.41 O ATOM 313 CB ALA A 24 6.041 9.278 -3.733 1.00 0.42 C ATOM 0 H ALA A 24 7.232 7.153 -3.329 1.00 0.40 H new ATOM 0 HA ALA A 24 4.460 7.830 -3.354 1.00 0.41 H new ATOM 0 HB1 ALA A 24 5.355 10.089 -3.979 1.00 0.42 H new ATOM 0 HB2 ALA A 24 6.333 9.355 -2.686 1.00 0.42 H new ATOM 0 HB3 ALA A 24 6.927 9.349 -4.363 1.00 0.42 H new ATOM 319 N LEU A 25 5.804 7.307 -6.271 1.00 0.42 N ATOM 320 CA LEU A 25 5.500 7.205 -7.723 1.00 0.44 C ATOM 321 C LEU A 25 4.471 6.094 -7.924 1.00 0.44 C ATOM 322 O LEU A 25 3.459 6.272 -8.573 1.00 0.46 O ATOM 323 CB LEU A 25 6.806 6.902 -8.480 1.00 0.47 C ATOM 324 CG LEU A 25 6.522 6.377 -9.891 1.00 0.77 C ATOM 325 CD1 LEU A 25 5.726 7.418 -10.683 1.00 1.58 C ATOM 326 CD2 LEU A 25 7.848 6.105 -10.602 1.00 1.67 C ATOM 0 H LEU A 25 6.703 6.916 -5.991 1.00 0.42 H new ATOM 0 HA LEU A 25 5.087 8.137 -8.108 1.00 0.44 H new ATOM 0 HB2 LEU A 25 7.412 7.806 -8.541 1.00 0.47 H new ATOM 0 HB3 LEU A 25 7.388 6.165 -7.926 1.00 0.47 H new ATOM 0 HG LEU A 25 5.942 5.457 -9.824 1.00 0.77 H new ATOM 0 HD11 LEU A 25 5.527 7.039 -11.685 1.00 1.58 H new ATOM 0 HD12 LEU A 25 4.782 7.616 -10.176 1.00 1.58 H new ATOM 0 HD13 LEU A 25 6.302 8.341 -10.752 1.00 1.58 H new ATOM 0 HD21 LEU A 25 7.652 5.731 -11.607 1.00 1.67 H new ATOM 0 HD22 LEU A 25 8.424 7.029 -10.664 1.00 1.67 H new ATOM 0 HD23 LEU A 25 8.415 5.361 -10.042 1.00 1.67 H new ATOM 338 N LEU A 26 4.752 4.936 -7.403 1.00 0.45 N ATOM 339 CA LEU A 26 3.826 3.790 -7.591 1.00 0.47 C ATOM 340 C LEU A 26 2.386 4.226 -7.314 1.00 0.49 C ATOM 341 O LEU A 26 1.504 4.011 -8.122 1.00 0.52 O ATOM 342 CB LEU A 26 4.232 2.624 -6.660 1.00 0.51 C ATOM 343 CG LEU A 26 5.324 1.758 -7.335 1.00 0.69 C ATOM 344 CD1 LEU A 26 6.068 0.940 -6.276 1.00 1.17 C ATOM 345 CD2 LEU A 26 4.678 0.791 -8.343 1.00 1.35 C ATOM 0 H LEU A 26 5.587 4.733 -6.853 1.00 0.45 H new ATOM 0 HA LEU A 26 3.889 3.447 -8.624 1.00 0.47 H new ATOM 0 HB2 LEU A 26 4.602 3.017 -5.713 1.00 0.51 H new ATOM 0 HB3 LEU A 26 3.360 2.011 -6.432 1.00 0.51 H new ATOM 0 HG LEU A 26 6.022 2.417 -7.851 1.00 0.69 H new ATOM 0 HD11 LEU A 26 6.835 0.333 -6.757 1.00 1.17 H new ATOM 0 HD12 LEU A 26 6.536 1.614 -5.558 1.00 1.17 H new ATOM 0 HD13 LEU A 26 5.363 0.290 -5.757 1.00 1.17 H new ATOM 0 HD21 LEU A 26 5.452 0.185 -8.814 1.00 1.35 H new ATOM 0 HD22 LEU A 26 3.974 0.141 -7.824 1.00 1.35 H new ATOM 0 HD23 LEU A 26 4.149 1.361 -9.107 1.00 1.35 H new ATOM 357 N LEU A 27 2.120 4.806 -6.176 1.00 0.50 N ATOM 358 CA LEU A 27 0.710 5.198 -5.896 1.00 0.56 C ATOM 359 C LEU A 27 0.228 6.137 -7.002 1.00 0.56 C ATOM 360 O LEU A 27 -0.866 5.990 -7.509 1.00 0.60 O ATOM 361 CB LEU A 27 0.582 5.893 -4.535 1.00 0.64 C ATOM 362 CG LEU A 27 0.846 4.908 -3.394 1.00 0.95 C ATOM 363 CD1 LEU A 27 1.075 5.697 -2.095 1.00 1.66 C ATOM 364 CD2 LEU A 27 -0.344 3.927 -3.227 1.00 1.42 C ATOM 0 H LEU A 27 2.798 5.021 -5.445 1.00 0.50 H new ATOM 0 HA LEU A 27 0.097 4.297 -5.869 1.00 0.56 H new ATOM 0 HB2 LEU A 27 1.288 6.721 -4.477 1.00 0.64 H new ATOM 0 HB3 LEU A 27 -0.417 6.318 -4.431 1.00 0.64 H new ATOM 0 HG LEU A 27 1.733 4.319 -3.627 1.00 0.95 H new ATOM 0 HD11 LEU A 27 1.264 5.003 -1.276 1.00 1.66 H new ATOM 0 HD12 LEU A 27 1.934 6.357 -2.217 1.00 1.66 H new ATOM 0 HD13 LEU A 27 0.190 6.292 -1.870 1.00 1.66 H new ATOM 0 HD21 LEU A 27 -0.134 3.236 -2.410 1.00 1.42 H new ATOM 0 HD22 LEU A 27 -1.250 4.489 -3.003 1.00 1.42 H new ATOM 0 HD23 LEU A 27 -0.485 3.365 -4.150 1.00 1.42 H new ATOM 376 N GLN A 28 1.010 7.108 -7.369 1.00 0.55 N ATOM 377 CA GLN A 28 0.561 8.051 -8.427 1.00 0.58 C ATOM 378 C GLN A 28 0.189 7.283 -9.701 1.00 0.54 C ATOM 379 O GLN A 28 -0.664 7.691 -10.463 1.00 0.58 O ATOM 380 CB GLN A 28 1.705 9.016 -8.738 1.00 0.60 C ATOM 381 CG GLN A 28 1.907 9.944 -7.542 1.00 1.00 C ATOM 382 CD GLN A 28 3.221 10.712 -7.698 1.00 1.40 C ATOM 383 OE1 GLN A 28 3.658 10.974 -8.801 1.00 2.09 O ATOM 384 NE2 GLN A 28 3.872 11.088 -6.631 1.00 1.91 N ATOM 0 H GLN A 28 1.937 7.290 -6.985 1.00 0.55 H new ATOM 0 HA GLN A 28 -0.315 8.597 -8.077 1.00 0.58 H new ATOM 0 HB2 GLN A 28 2.621 8.462 -8.944 1.00 0.60 H new ATOM 0 HB3 GLN A 28 1.476 9.597 -9.632 1.00 0.60 H new ATOM 0 HG2 GLN A 28 1.074 10.643 -7.467 1.00 1.00 H new ATOM 0 HG3 GLN A 28 1.921 9.365 -6.619 1.00 1.00 H new ATOM 0 HE21 GLN A 28 3.505 10.868 -5.705 1.00 1.91 H new ATOM 0 HE22 GLN A 28 4.748 11.602 -6.723 1.00 1.91 H new ATOM 393 N GLY A 29 0.858 6.186 -9.947 1.00 0.50 N ATOM 394 CA GLY A 29 0.588 5.395 -11.184 1.00 0.48 C ATOM 395 C GLY A 29 -0.617 4.473 -10.994 1.00 0.44 C ATOM 396 O GLY A 29 -1.446 4.343 -11.874 1.00 0.50 O ATOM 0 H GLY A 29 1.583 5.803 -9.341 1.00 0.50 H new ATOM 0 HA2 GLY A 29 0.405 6.071 -12.019 1.00 0.48 H new ATOM 0 HA3 GLY A 29 1.467 4.803 -11.440 1.00 0.48 H new ATOM 400 N PHE A 30 -0.727 3.816 -9.870 1.00 0.44 N ATOM 401 CA PHE A 30 -1.888 2.899 -9.681 1.00 0.43 C ATOM 402 C PHE A 30 -3.152 3.721 -9.427 1.00 0.40 C ATOM 403 O PHE A 30 -4.235 3.336 -9.824 1.00 0.43 O ATOM 404 CB PHE A 30 -1.636 1.945 -8.497 1.00 0.47 C ATOM 405 CG PHE A 30 -2.918 1.211 -8.130 1.00 0.47 C ATOM 406 CD1 PHE A 30 -3.661 0.539 -9.116 1.00 1.39 C ATOM 407 CD2 PHE A 30 -3.364 1.204 -6.801 1.00 1.20 C ATOM 408 CE1 PHE A 30 -4.839 -0.132 -8.771 1.00 1.42 C ATOM 409 CE2 PHE A 30 -4.544 0.531 -6.460 1.00 1.21 C ATOM 410 CZ PHE A 30 -5.281 -0.135 -7.445 1.00 0.58 C ATOM 0 H PHE A 30 -0.076 3.872 -9.087 1.00 0.44 H new ATOM 0 HA PHE A 30 -2.017 2.302 -10.584 1.00 0.43 H new ATOM 0 HB2 PHE A 30 -0.859 1.226 -8.759 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -1.272 2.509 -7.638 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -3.322 0.541 -10.141 1.00 1.39 H new ATOM 0 HD2 PHE A 30 -2.797 1.718 -6.039 1.00 1.20 H new ATOM 0 HE1 PHE A 30 -5.408 -0.648 -9.530 1.00 1.42 H new ATOM 0 HE2 PHE A 30 -4.885 0.526 -5.435 1.00 1.21 H new ATOM 0 HZ PHE A 30 -6.192 -0.652 -7.181 1.00 0.58 H new ATOM 420 N ILE A 31 -3.039 4.852 -8.781 1.00 0.40 N ATOM 421 CA ILE A 31 -4.254 5.671 -8.530 1.00 0.40 C ATOM 422 C ILE A 31 -4.692 6.306 -9.852 1.00 0.40 C ATOM 423 O ILE A 31 -5.808 6.127 -10.297 1.00 0.43 O ATOM 424 CB ILE A 31 -3.942 6.767 -7.500 1.00 0.41 C ATOM 425 CG1 ILE A 31 -3.655 6.136 -6.134 1.00 0.53 C ATOM 426 CG2 ILE A 31 -5.135 7.718 -7.406 1.00 0.72 C ATOM 427 CD1 ILE A 31 -2.933 7.151 -5.240 1.00 0.48 C ATOM 0 H ILE A 31 -2.166 5.238 -8.421 1.00 0.40 H new ATOM 0 HA ILE A 31 -5.053 5.043 -8.136 1.00 0.40 H new ATOM 0 HB ILE A 31 -3.060 7.325 -7.813 1.00 0.41 H new ATOM 0 HG12 ILE A 31 -4.587 5.821 -5.665 1.00 0.53 H new ATOM 0 HG13 ILE A 31 -3.042 5.243 -6.256 1.00 0.53 H new ATOM 0 HG21 ILE A 31 -4.921 8.499 -6.676 1.00 0.72 H new ATOM 0 HG22 ILE A 31 -5.317 8.171 -8.380 1.00 0.72 H new ATOM 0 HG23 ILE A 31 -6.019 7.163 -7.094 1.00 0.72 H new ATOM 0 HD11 ILE A 31 -2.730 6.700 -4.269 1.00 0.48 H new ATOM 0 HD12 ILE A 31 -1.993 7.444 -5.708 1.00 0.48 H new ATOM 0 HD13 ILE A 31 -3.562 8.031 -5.107 1.00 0.48 H new ATOM 439 N GLN A 32 -3.821 7.037 -10.485 1.00 0.42 N ATOM 440 CA GLN A 32 -4.181 7.674 -11.782 1.00 0.47 C ATOM 441 C GLN A 32 -4.780 6.623 -12.727 1.00 0.50 C ATOM 442 O GLN A 32 -5.558 6.943 -13.604 1.00 0.61 O ATOM 443 CB GLN A 32 -2.927 8.289 -12.408 1.00 0.57 C ATOM 444 CG GLN A 32 -3.326 9.242 -13.538 1.00 1.19 C ATOM 445 CD GLN A 32 -2.084 9.974 -14.048 1.00 1.59 C ATOM 446 OE1 GLN A 32 -1.728 11.019 -13.539 1.00 2.16 O ATOM 447 NE2 GLN A 32 -1.403 9.467 -15.039 1.00 2.21 N ATOM 0 H GLN A 32 -2.872 7.222 -10.160 1.00 0.42 H new ATOM 0 HA GLN A 32 -4.920 8.457 -11.613 1.00 0.47 H new ATOM 0 HB2 GLN A 32 -2.357 8.827 -11.650 1.00 0.57 H new ATOM 0 HB3 GLN A 32 -2.279 7.502 -12.795 1.00 0.57 H new ATOM 0 HG2 GLN A 32 -3.793 8.685 -14.351 1.00 1.19 H new ATOM 0 HG3 GLN A 32 -4.063 9.960 -13.179 1.00 1.19 H new ATOM 0 HE21 GLN A 32 -1.701 8.590 -15.467 1.00 2.21 H new ATOM 0 HE22 GLN A 32 -0.573 9.947 -15.386 1.00 2.21 H new ATOM 456 N ASP A 33 -4.429 5.375 -12.561 1.00 0.49 N ATOM 457 CA ASP A 33 -4.986 4.316 -13.456 1.00 0.58 C ATOM 458 C ASP A 33 -6.401 3.947 -12.998 1.00 0.61 C ATOM 459 O ASP A 33 -7.305 3.789 -13.794 1.00 0.70 O ATOM 460 CB ASP A 33 -4.090 3.077 -13.386 1.00 0.61 C ATOM 461 CG ASP A 33 -2.759 3.370 -14.082 1.00 1.10 C ATOM 462 OD1 ASP A 33 -2.369 4.526 -14.109 1.00 1.78 O ATOM 463 OD2 ASP A 33 -2.152 2.434 -14.575 1.00 1.89 O ATOM 0 H ASP A 33 -3.782 5.043 -11.846 1.00 0.49 H new ATOM 0 HA ASP A 33 -5.024 4.687 -14.480 1.00 0.58 H new ATOM 0 HB2 ASP A 33 -3.916 2.799 -12.346 1.00 0.61 H new ATOM 0 HB3 ASP A 33 -4.584 2.231 -13.863 1.00 0.61 H new ATOM 468 N ARG A 34 -6.595 3.822 -11.714 1.00 0.58 N ATOM 469 CA ARG A 34 -7.944 3.480 -11.175 1.00 0.71 C ATOM 470 C ARG A 34 -8.936 4.594 -11.526 1.00 0.65 C ATOM 471 O ARG A 34 -9.912 4.383 -12.219 1.00 0.85 O ATOM 472 CB ARG A 34 -7.841 3.353 -9.648 1.00 0.85 C ATOM 473 CG ARG A 34 -7.168 2.013 -9.274 1.00 1.25 C ATOM 474 CD ARG A 34 -8.221 0.903 -9.155 1.00 1.31 C ATOM 475 NE ARG A 34 -8.944 1.041 -7.860 1.00 1.58 N ATOM 476 CZ ARG A 34 -10.071 0.409 -7.671 1.00 2.09 C ATOM 477 NH1 ARG A 34 -10.569 -0.339 -8.617 1.00 2.58 N ATOM 478 NH2 ARG A 34 -10.701 0.527 -6.534 1.00 2.75 N ATOM 0 H ARG A 34 -5.870 3.943 -11.007 1.00 0.58 H new ATOM 0 HA ARG A 34 -8.291 2.542 -11.609 1.00 0.71 H new ATOM 0 HB2 ARG A 34 -7.264 4.185 -9.244 1.00 0.85 H new ATOM 0 HB3 ARG A 34 -8.834 3.408 -9.202 1.00 0.85 H new ATOM 0 HG2 ARG A 34 -6.431 1.745 -10.031 1.00 1.25 H new ATOM 0 HG3 ARG A 34 -6.632 2.118 -8.331 1.00 1.25 H new ATOM 0 HD2 ARG A 34 -8.925 0.964 -9.985 1.00 1.31 H new ATOM 0 HD3 ARG A 34 -7.743 -0.075 -9.214 1.00 1.31 H new ATOM 0 HE ARG A 34 -8.559 1.629 -7.121 1.00 1.58 H new ATOM 0 HH11 ARG A 34 -10.078 -0.431 -9.506 1.00 2.58 H new ATOM 0 HH12 ARG A 34 -11.449 -0.832 -8.467 1.00 2.58 H new ATOM 0 HH21 ARG A 34 -10.313 1.112 -5.794 1.00 2.75 H new ATOM 0 HH22 ARG A 34 -11.581 0.034 -6.385 1.00 2.75 H new ATOM 492 N ALA A 35 -8.687 5.778 -11.045 1.00 0.59 N ATOM 493 CA ALA A 35 -9.598 6.923 -11.331 1.00 0.66 C ATOM 494 C ALA A 35 -9.968 6.959 -12.820 1.00 0.80 C ATOM 495 O ALA A 35 -11.113 7.079 -13.201 1.00 0.88 O ATOM 496 CB ALA A 35 -8.875 8.222 -10.974 1.00 0.94 C ATOM 0 H ALA A 35 -7.883 6.005 -10.460 1.00 0.59 H new ATOM 0 HA ALA A 35 -10.508 6.809 -10.742 1.00 0.66 H new ATOM 0 HB1 ALA A 35 -9.529 9.070 -11.178 1.00 0.94 H new ATOM 0 HB2 ALA A 35 -8.611 8.213 -9.916 1.00 0.94 H new ATOM 0 HB3 ALA A 35 -7.969 8.310 -11.573 1.00 0.94 H new ATOM 751 N ALA A 54 9.240 1.554 -17.698 1.00 0.91 N ATOM 752 CA ALA A 54 8.908 0.123 -17.960 1.00 0.84 C ATOM 753 C ALA A 54 8.850 -0.666 -16.646 1.00 0.76 C ATOM 754 O ALA A 54 8.115 -1.628 -16.526 1.00 0.75 O ATOM 755 CB ALA A 54 9.994 -0.483 -18.854 1.00 0.95 C ATOM 0 HA ALA A 54 7.935 0.070 -18.448 1.00 0.84 H new ATOM 0 HB1 ALA A 54 9.761 -1.529 -19.052 1.00 0.95 H new ATOM 0 HB2 ALA A 54 10.036 0.063 -19.796 1.00 0.95 H new ATOM 0 HB3 ALA A 54 10.959 -0.415 -18.351 1.00 0.95 H new ATOM 761 N SER A 55 9.609 -0.272 -15.657 1.00 0.75 N ATOM 762 CA SER A 55 9.589 -1.010 -14.358 1.00 0.71 C ATOM 763 C SER A 55 8.287 -0.729 -13.609 1.00 0.66 C ATOM 764 O SER A 55 7.552 -1.629 -13.255 1.00 0.66 O ATOM 765 CB SER A 55 10.761 -0.546 -13.496 1.00 0.76 C ATOM 766 OG SER A 55 11.976 -0.735 -14.210 1.00 1.37 O ATOM 0 H SER A 55 10.241 0.528 -15.692 1.00 0.75 H new ATOM 0 HA SER A 55 9.666 -2.078 -14.560 1.00 0.71 H new ATOM 0 HB2 SER A 55 10.640 0.505 -13.234 1.00 0.76 H new ATOM 0 HB3 SER A 55 10.784 -1.107 -12.562 1.00 0.76 H new ATOM 0 HG SER A 55 12.729 -0.436 -13.659 1.00 1.37 H new ATOM 772 N THR A 56 8.002 0.519 -13.368 1.00 0.65 N ATOM 773 CA THR A 56 6.754 0.873 -12.638 1.00 0.62 C ATOM 774 C THR A 56 5.546 0.474 -13.481 1.00 0.59 C ATOM 775 O THR A 56 4.454 0.298 -12.978 1.00 0.57 O ATOM 776 CB THR A 56 6.721 2.383 -12.385 1.00 0.67 C ATOM 777 OG1 THR A 56 7.982 2.803 -11.882 1.00 1.09 O ATOM 778 CG2 THR A 56 5.628 2.714 -11.367 1.00 1.06 C ATOM 0 H THR A 56 8.581 1.311 -13.646 1.00 0.65 H new ATOM 0 HA THR A 56 6.727 0.344 -11.685 1.00 0.62 H new ATOM 0 HB THR A 56 6.508 2.902 -13.320 1.00 0.67 H new ATOM 0 HG1 THR A 56 7.847 3.470 -11.177 1.00 1.09 H new ATOM 0 HG21 THR A 56 5.609 3.789 -11.191 1.00 1.06 H new ATOM 0 HG22 THR A 56 4.661 2.392 -11.754 1.00 1.06 H new ATOM 0 HG23 THR A 56 5.834 2.196 -10.430 1.00 1.06 H new ATOM 786 N LYS A 57 5.732 0.330 -14.762 1.00 0.61 N ATOM 787 CA LYS A 57 4.589 -0.051 -15.632 1.00 0.59 C ATOM 788 C LYS A 57 4.189 -1.501 -15.336 1.00 0.54 C ATOM 789 O LYS A 57 3.023 -1.847 -15.355 1.00 0.52 O ATOM 790 CB LYS A 57 5.002 0.115 -17.102 1.00 0.65 C ATOM 791 CG LYS A 57 4.003 -0.582 -18.041 1.00 1.20 C ATOM 792 CD LYS A 57 4.365 -0.267 -19.509 1.00 1.33 C ATOM 793 CE LYS A 57 3.938 -1.426 -20.415 1.00 1.94 C ATOM 794 NZ LYS A 57 4.653 -2.667 -20.001 1.00 2.73 N ATOM 0 H LYS A 57 6.623 0.459 -15.242 1.00 0.61 H new ATOM 0 HA LYS A 57 3.731 0.591 -15.435 1.00 0.59 H new ATOM 0 HB2 LYS A 57 5.059 1.175 -17.349 1.00 0.65 H new ATOM 0 HB3 LYS A 57 5.998 -0.301 -17.252 1.00 0.65 H new ATOM 0 HG2 LYS A 57 4.022 -1.659 -17.874 1.00 1.20 H new ATOM 0 HG3 LYS A 57 2.989 -0.244 -17.825 1.00 1.20 H new ATOM 0 HD2 LYS A 57 3.872 0.652 -19.824 1.00 1.33 H new ATOM 0 HD3 LYS A 57 5.438 -0.100 -19.600 1.00 1.33 H new ATOM 0 HE2 LYS A 57 2.860 -1.575 -20.350 1.00 1.94 H new ATOM 0 HE3 LYS A 57 4.165 -1.192 -21.455 1.00 1.94 H new ATOM 0 HZ1 LYS A 57 4.820 -3.266 -20.835 1.00 2.73 H new ATOM 0 HZ2 LYS A 57 5.564 -2.415 -19.567 1.00 2.73 H new ATOM 0 HZ3 LYS A 57 4.074 -3.188 -19.312 1.00 2.73 H new ATOM 808 N LYS A 58 5.136 -2.364 -15.065 1.00 0.55 N ATOM 809 CA LYS A 58 4.769 -3.781 -14.778 1.00 0.53 C ATOM 810 C LYS A 58 4.235 -3.871 -13.342 1.00 0.48 C ATOM 811 O LYS A 58 3.206 -4.470 -13.098 1.00 0.46 O ATOM 812 CB LYS A 58 6.006 -4.675 -14.963 1.00 0.56 C ATOM 813 CG LYS A 58 5.759 -6.087 -14.406 1.00 0.78 C ATOM 814 CD LYS A 58 4.532 -6.715 -15.075 1.00 0.96 C ATOM 815 CE LYS A 58 4.441 -8.189 -14.687 1.00 0.85 C ATOM 816 NZ LYS A 58 3.352 -8.841 -15.468 1.00 1.75 N ATOM 0 H LYS A 58 6.133 -2.152 -15.031 1.00 0.55 H new ATOM 0 HA LYS A 58 3.994 -4.123 -15.465 1.00 0.53 H new ATOM 0 HB2 LYS A 58 6.258 -4.738 -16.022 1.00 0.56 H new ATOM 0 HB3 LYS A 58 6.861 -4.226 -14.458 1.00 0.56 H new ATOM 0 HG2 LYS A 58 6.635 -6.712 -14.578 1.00 0.78 H new ATOM 0 HG3 LYS A 58 5.609 -6.039 -13.327 1.00 0.78 H new ATOM 0 HD2 LYS A 58 3.628 -6.190 -14.767 1.00 0.96 H new ATOM 0 HD3 LYS A 58 4.604 -6.617 -16.158 1.00 0.96 H new ATOM 0 HE2 LYS A 58 5.391 -8.687 -14.882 1.00 0.85 H new ATOM 0 HE3 LYS A 58 4.244 -8.284 -13.619 1.00 0.85 H new ATOM 0 HZ1 LYS A 58 3.289 -9.845 -15.205 1.00 1.75 H new ATOM 0 HZ2 LYS A 58 2.447 -8.371 -15.261 1.00 1.75 H new ATOM 0 HZ3 LYS A 58 3.558 -8.762 -16.484 1.00 1.75 H new ATOM 830 N LEU A 59 4.914 -3.294 -12.386 1.00 0.50 N ATOM 831 CA LEU A 59 4.411 -3.381 -10.983 1.00 0.47 C ATOM 832 C LEU A 59 3.056 -2.675 -10.885 1.00 0.43 C ATOM 833 O LEU A 59 2.239 -2.986 -10.040 1.00 0.42 O ATOM 834 CB LEU A 59 5.404 -2.718 -10.013 1.00 0.53 C ATOM 835 CG LEU A 59 6.647 -3.617 -9.796 1.00 0.71 C ATOM 836 CD1 LEU A 59 7.703 -3.319 -10.865 1.00 1.07 C ATOM 837 CD2 LEU A 59 7.247 -3.340 -8.411 1.00 1.34 C ATOM 0 H LEU A 59 5.782 -2.774 -12.512 1.00 0.50 H new ATOM 0 HA LEU A 59 4.303 -4.431 -10.712 1.00 0.47 H new ATOM 0 HB2 LEU A 59 5.714 -1.751 -10.408 1.00 0.53 H new ATOM 0 HB3 LEU A 59 4.915 -2.530 -9.057 1.00 0.53 H new ATOM 0 HG LEU A 59 6.343 -4.661 -9.867 1.00 0.71 H new ATOM 0 HD11 LEU A 59 8.573 -3.956 -10.704 1.00 1.07 H new ATOM 0 HD12 LEU A 59 7.286 -3.516 -11.853 1.00 1.07 H new ATOM 0 HD13 LEU A 59 8.002 -2.273 -10.800 1.00 1.07 H new ATOM 0 HD21 LEU A 59 8.121 -3.973 -8.260 1.00 1.34 H new ATOM 0 HD22 LEU A 59 7.542 -2.293 -8.345 1.00 1.34 H new ATOM 0 HD23 LEU A 59 6.505 -3.557 -7.643 1.00 1.34 H new ATOM 849 N SER A 60 2.800 -1.753 -11.771 1.00 0.43 N ATOM 850 CA SER A 60 1.486 -1.051 -11.763 1.00 0.42 C ATOM 851 C SER A 60 0.429 -2.033 -12.265 1.00 0.39 C ATOM 852 O SER A 60 -0.718 -1.981 -11.869 1.00 0.41 O ATOM 853 CB SER A 60 1.547 0.152 -12.707 1.00 0.47 C ATOM 854 OG SER A 60 1.957 -0.278 -13.995 1.00 1.36 O ATOM 0 H SER A 60 3.446 -1.455 -12.502 1.00 0.43 H new ATOM 0 HA SER A 60 1.243 -0.705 -10.758 1.00 0.42 H new ATOM 0 HB2 SER A 60 0.570 0.631 -12.766 1.00 0.47 H new ATOM 0 HB3 SER A 60 2.244 0.896 -12.321 1.00 0.47 H new ATOM 0 HG SER A 60 2.228 -1.219 -13.955 1.00 1.36 H new ATOM 860 N GLU A 61 0.806 -2.935 -13.130 1.00 0.38 N ATOM 861 CA GLU A 61 -0.187 -3.922 -13.647 1.00 0.38 C ATOM 862 C GLU A 61 -0.556 -4.899 -12.524 1.00 0.38 C ATOM 863 O GLU A 61 -1.638 -5.451 -12.504 1.00 0.41 O ATOM 864 CB GLU A 61 0.408 -4.675 -14.842 1.00 0.39 C ATOM 865 CG GLU A 61 -0.501 -5.841 -15.234 1.00 1.06 C ATOM 866 CD GLU A 61 -0.078 -6.374 -16.604 1.00 1.67 C ATOM 867 OE1 GLU A 61 1.116 -6.466 -16.839 1.00 2.40 O ATOM 868 OE2 GLU A 61 -0.954 -6.681 -17.396 1.00 2.25 O ATOM 0 H GLU A 61 1.752 -3.032 -13.500 1.00 0.38 H new ATOM 0 HA GLU A 61 -1.087 -3.405 -13.978 1.00 0.38 H new ATOM 0 HB2 GLU A 61 0.527 -3.996 -15.687 1.00 0.39 H new ATOM 0 HB3 GLU A 61 1.401 -5.047 -14.590 1.00 0.39 H new ATOM 0 HG2 GLU A 61 -0.438 -6.633 -14.488 1.00 1.06 H new ATOM 0 HG3 GLU A 61 -1.540 -5.513 -15.264 1.00 1.06 H new ATOM 875 N CYS A 62 0.318 -5.094 -11.575 1.00 0.37 N ATOM 876 CA CYS A 62 -0.008 -6.011 -10.442 1.00 0.39 C ATOM 877 C CYS A 62 -1.122 -5.373 -9.607 1.00 0.38 C ATOM 878 O CYS A 62 -2.177 -5.948 -9.424 1.00 0.44 O ATOM 879 CB CYS A 62 1.233 -6.211 -9.570 1.00 0.41 C ATOM 880 SG CYS A 62 0.906 -7.502 -8.345 1.00 1.62 S ATOM 0 H CYS A 62 1.241 -4.661 -11.533 1.00 0.37 H new ATOM 0 HA CYS A 62 -0.333 -6.978 -10.825 1.00 0.39 H new ATOM 0 HB2 CYS A 62 2.085 -6.490 -10.190 1.00 0.41 H new ATOM 0 HB3 CYS A 62 1.494 -5.278 -9.070 1.00 0.41 H new ATOM 0 HG CYS A 62 1.991 -7.747 -7.673 1.00 1.62 H new ATOM 886 N LEU A 63 -0.917 -4.172 -9.137 1.00 0.35 N ATOM 887 CA LEU A 63 -1.979 -3.470 -8.358 1.00 0.36 C ATOM 888 C LEU A 63 -3.289 -3.482 -9.160 1.00 0.36 C ATOM 889 O LEU A 63 -4.364 -3.593 -8.605 1.00 0.41 O ATOM 890 CB LEU A 63 -1.523 -2.022 -8.118 1.00 0.38 C ATOM 891 CG LEU A 63 -0.606 -1.974 -6.887 1.00 0.69 C ATOM 892 CD1 LEU A 63 0.542 -2.971 -7.058 1.00 1.39 C ATOM 893 CD2 LEU A 63 -0.038 -0.563 -6.722 1.00 1.11 C ATOM 0 H LEU A 63 -0.054 -3.643 -9.260 1.00 0.35 H new ATOM 0 HA LEU A 63 -2.146 -3.969 -7.403 1.00 0.36 H new ATOM 0 HB2 LEU A 63 -0.995 -1.645 -8.994 1.00 0.38 H new ATOM 0 HB3 LEU A 63 -2.388 -1.377 -7.966 1.00 0.38 H new ATOM 0 HG LEU A 63 -1.183 -2.237 -6.001 1.00 0.69 H new ATOM 0 HD11 LEU A 63 1.190 -2.933 -6.182 1.00 1.39 H new ATOM 0 HD12 LEU A 63 0.137 -3.977 -7.167 1.00 1.39 H new ATOM 0 HD13 LEU A 63 1.118 -2.714 -7.947 1.00 1.39 H new ATOM 0 HD21 LEU A 63 0.612 -0.532 -5.848 1.00 1.11 H new ATOM 0 HD22 LEU A 63 0.535 -0.295 -7.610 1.00 1.11 H new ATOM 0 HD23 LEU A 63 -0.856 0.145 -6.591 1.00 1.11 H new ATOM 905 N LYS A 64 -3.208 -3.359 -10.455 1.00 0.35 N ATOM 906 CA LYS A 64 -4.453 -3.357 -11.281 1.00 0.37 C ATOM 907 C LYS A 64 -5.013 -4.779 -11.399 1.00 0.39 C ATOM 908 O LYS A 64 -6.211 -4.982 -11.406 1.00 0.43 O ATOM 909 CB LYS A 64 -4.145 -2.822 -12.681 1.00 0.38 C ATOM 910 CG LYS A 64 -3.802 -1.334 -12.593 1.00 0.82 C ATOM 911 CD LYS A 64 -3.491 -0.791 -13.996 1.00 1.35 C ATOM 912 CE LYS A 64 -4.768 -0.734 -14.852 1.00 1.38 C ATOM 913 NZ LYS A 64 -4.973 -2.048 -15.527 1.00 2.09 N ATOM 0 H LYS A 64 -2.338 -3.260 -10.978 1.00 0.35 H new ATOM 0 HA LYS A 64 -5.191 -2.718 -10.797 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -3.312 -3.373 -13.118 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -5.004 -2.970 -13.336 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -4.635 -0.784 -12.156 1.00 0.82 H new ATOM 0 HG3 LYS A 64 -2.944 -1.187 -11.937 1.00 0.82 H new ATOM 0 HD2 LYS A 64 -3.055 0.205 -13.918 1.00 1.35 H new ATOM 0 HD3 LYS A 64 -2.750 -1.426 -14.481 1.00 1.35 H new ATOM 0 HE2 LYS A 64 -5.628 -0.497 -14.226 1.00 1.38 H new ATOM 0 HE3 LYS A 64 -4.686 0.060 -15.595 1.00 1.38 H new ATOM 0 HZ1 LYS A 64 -5.040 -1.904 -16.555 1.00 2.09 H new ATOM 0 HZ2 LYS A 64 -4.171 -2.675 -15.317 1.00 2.09 H new ATOM 0 HZ3 LYS A 64 -5.852 -2.483 -15.181 1.00 2.09 H new ATOM 927 N ARG A 65 -4.161 -5.762 -11.494 1.00 0.43 N ATOM 928 CA ARG A 65 -4.649 -7.167 -11.616 1.00 0.47 C ATOM 929 C ARG A 65 -5.154 -7.666 -10.258 1.00 0.50 C ATOM 930 O ARG A 65 -6.180 -8.312 -10.170 1.00 0.54 O ATOM 931 CB ARG A 65 -3.493 -8.063 -12.093 1.00 0.45 C ATOM 932 CG ARG A 65 -3.374 -7.992 -13.624 1.00 0.94 C ATOM 933 CD ARG A 65 -4.575 -8.695 -14.302 1.00 1.55 C ATOM 934 NE ARG A 65 -4.092 -9.509 -15.464 1.00 1.86 N ATOM 935 CZ ARG A 65 -3.265 -9.007 -16.345 1.00 2.39 C ATOM 936 NH1 ARG A 65 -2.935 -7.747 -16.299 1.00 2.94 N ATOM 937 NH2 ARG A 65 -2.797 -9.764 -17.299 1.00 2.92 N ATOM 0 H ARG A 65 -3.147 -5.654 -11.493 1.00 0.43 H new ATOM 0 HA ARG A 65 -5.467 -7.204 -12.335 1.00 0.47 H new ATOM 0 HB2 ARG A 65 -2.559 -7.743 -11.632 1.00 0.45 H new ATOM 0 HB3 ARG A 65 -3.666 -9.093 -11.780 1.00 0.45 H new ATOM 0 HG2 ARG A 65 -3.330 -6.950 -13.942 1.00 0.94 H new ATOM 0 HG3 ARG A 65 -2.444 -8.462 -13.943 1.00 0.94 H new ATOM 0 HD2 ARG A 65 -5.087 -9.336 -13.584 1.00 1.55 H new ATOM 0 HD3 ARG A 65 -5.299 -7.954 -14.640 1.00 1.55 H new ATOM 0 HE ARG A 65 -4.414 -10.471 -15.570 1.00 1.86 H new ATOM 0 HH11 ARG A 65 -3.322 -7.145 -15.573 1.00 2.94 H new ATOM 0 HH12 ARG A 65 -2.290 -7.363 -16.989 1.00 2.94 H new ATOM 0 HH21 ARG A 65 -3.076 -10.743 -17.356 1.00 2.92 H new ATOM 0 HH22 ARG A 65 -2.152 -9.376 -17.988 1.00 2.92 H new ATOM 951 N ILE A 66 -4.450 -7.376 -9.198 1.00 0.49 N ATOM 952 CA ILE A 66 -4.905 -7.848 -7.860 1.00 0.53 C ATOM 953 C ILE A 66 -6.114 -7.009 -7.434 1.00 0.54 C ATOM 954 O ILE A 66 -7.037 -7.492 -6.808 1.00 0.60 O ATOM 955 CB ILE A 66 -3.752 -7.691 -6.854 1.00 0.52 C ATOM 956 CG1 ILE A 66 -2.740 -8.823 -7.060 1.00 1.22 C ATOM 957 CG2 ILE A 66 -4.281 -7.731 -5.416 1.00 1.29 C ATOM 958 CD1 ILE A 66 -1.468 -8.528 -6.261 1.00 1.25 C ATOM 0 H ILE A 66 -3.585 -6.836 -9.200 1.00 0.49 H new ATOM 0 HA ILE A 66 -5.194 -8.898 -7.897 1.00 0.53 H new ATOM 0 HB ILE A 66 -3.270 -6.728 -7.020 1.00 0.52 H new ATOM 0 HG12 ILE A 66 -3.171 -9.772 -6.740 1.00 1.22 H new ATOM 0 HG13 ILE A 66 -2.501 -8.923 -8.119 1.00 1.22 H new ATOM 0 HG21 ILE A 66 -3.450 -7.618 -4.719 1.00 1.29 H new ATOM 0 HG22 ILE A 66 -4.992 -6.918 -5.267 1.00 1.29 H new ATOM 0 HG23 ILE A 66 -4.777 -8.685 -5.237 1.00 1.29 H new ATOM 0 HD11 ILE A 66 -0.750 -9.335 -6.409 1.00 1.25 H new ATOM 0 HD12 ILE A 66 -1.034 -7.588 -6.602 1.00 1.25 H new ATOM 0 HD13 ILE A 66 -1.713 -8.451 -5.202 1.00 1.25 H new ATOM 970 N GLY A 67 -6.114 -5.762 -7.800 1.00 0.52 N ATOM 971 CA GLY A 67 -7.255 -4.867 -7.459 1.00 0.55 C ATOM 972 C GLY A 67 -8.453 -5.202 -8.345 1.00 0.53 C ATOM 973 O GLY A 67 -9.584 -5.192 -7.893 1.00 0.63 O ATOM 0 H GLY A 67 -5.363 -5.317 -8.328 1.00 0.52 H new ATOM 0 HA2 GLY A 67 -7.522 -4.986 -6.409 1.00 0.55 H new ATOM 0 HA3 GLY A 67 -6.967 -3.825 -7.599 1.00 0.55 H new ATOM 977 N ASP A 68 -8.238 -5.508 -9.596 1.00 0.54 N ATOM 978 CA ASP A 68 -9.385 -5.843 -10.478 1.00 0.54 C ATOM 979 C ASP A 68 -9.932 -7.222 -10.113 1.00 0.52 C ATOM 980 O ASP A 68 -11.122 -7.460 -10.175 1.00 0.56 O ATOM 981 CB ASP A 68 -8.908 -5.857 -11.932 1.00 0.60 C ATOM 982 CG ASP A 68 -10.087 -6.170 -12.854 1.00 1.43 C ATOM 983 OD1 ASP A 68 -11.212 -6.103 -12.388 1.00 2.12 O ATOM 984 OD2 ASP A 68 -9.844 -6.472 -14.011 1.00 2.20 O ATOM 0 H ASP A 68 -7.321 -5.540 -10.041 1.00 0.54 H new ATOM 0 HA ASP A 68 -10.172 -5.099 -10.351 1.00 0.54 H new ATOM 0 HB2 ASP A 68 -8.475 -4.891 -12.193 1.00 0.60 H new ATOM 0 HB3 ASP A 68 -8.124 -6.603 -12.061 1.00 0.60 H new ATOM 989 N GLU A 69 -9.080 -8.142 -9.738 1.00 0.56 N ATOM 990 CA GLU A 69 -9.579 -9.500 -9.382 1.00 0.56 C ATOM 991 C GLU A 69 -10.212 -9.454 -7.995 1.00 0.55 C ATOM 992 O GLU A 69 -11.008 -10.305 -7.655 1.00 0.73 O ATOM 993 CB GLU A 69 -8.427 -10.509 -9.382 1.00 0.61 C ATOM 994 CG GLU A 69 -7.941 -10.747 -10.811 1.00 0.84 C ATOM 995 CD GLU A 69 -8.997 -11.535 -11.588 1.00 1.65 C ATOM 996 OE1 GLU A 69 -9.217 -12.686 -11.249 1.00 2.48 O ATOM 997 OE2 GLU A 69 -9.568 -10.974 -12.508 1.00 2.23 O ATOM 0 H GLU A 69 -8.071 -8.012 -9.664 1.00 0.56 H new ATOM 0 HA GLU A 69 -10.319 -9.811 -10.120 1.00 0.56 H new ATOM 0 HB2 GLU A 69 -7.607 -10.137 -8.767 1.00 0.61 H new ATOM 0 HB3 GLU A 69 -8.756 -11.449 -8.940 1.00 0.61 H new ATOM 0 HG2 GLU A 69 -7.748 -9.794 -11.304 1.00 0.84 H new ATOM 0 HG3 GLU A 69 -6.999 -11.296 -10.799 1.00 0.84 H new ATOM 1004 N LEU A 70 -9.878 -8.494 -7.171 1.00 0.53 N ATOM 1005 CA LEU A 70 -10.501 -8.477 -5.815 1.00 0.52 C ATOM 1006 C LEU A 70 -11.946 -7.981 -5.948 1.00 0.54 C ATOM 1007 O LEU A 70 -12.818 -8.364 -5.193 1.00 0.60 O ATOM 1008 CB LEU A 70 -9.712 -7.567 -4.858 1.00 0.61 C ATOM 1009 CG LEU A 70 -8.535 -8.313 -4.213 1.00 0.70 C ATOM 1010 CD1 LEU A 70 -7.731 -7.298 -3.391 1.00 1.38 C ATOM 1011 CD2 LEU A 70 -9.055 -9.437 -3.289 1.00 1.61 C ATOM 0 H LEU A 70 -9.220 -7.741 -7.370 1.00 0.53 H new ATOM 0 HA LEU A 70 -10.488 -9.484 -5.399 1.00 0.52 H new ATOM 0 HB2 LEU A 70 -9.339 -6.700 -5.403 1.00 0.61 H new ATOM 0 HB3 LEU A 70 -10.377 -7.192 -4.080 1.00 0.61 H new ATOM 0 HG LEU A 70 -7.911 -8.766 -4.983 1.00 0.70 H new ATOM 0 HD11 LEU A 70 -6.886 -7.800 -2.919 1.00 1.38 H new ATOM 0 HD12 LEU A 70 -7.364 -6.508 -4.046 1.00 1.38 H new ATOM 0 HD13 LEU A 70 -8.371 -6.864 -2.622 1.00 1.38 H new ATOM 0 HD21 LEU A 70 -8.210 -9.958 -2.838 1.00 1.61 H new ATOM 0 HD22 LEU A 70 -9.675 -9.005 -2.504 1.00 1.61 H new ATOM 0 HD23 LEU A 70 -9.647 -10.143 -3.872 1.00 1.61 H new ATOM 1023 N ASP A 71 -12.210 -7.162 -6.932 1.00 0.67 N ATOM 1024 CA ASP A 71 -13.605 -6.681 -7.138 1.00 0.91 C ATOM 1025 C ASP A 71 -14.449 -7.862 -7.621 1.00 1.02 C ATOM 1026 O ASP A 71 -15.663 -7.847 -7.594 1.00 1.29 O ATOM 1027 CB ASP A 71 -13.620 -5.577 -8.196 1.00 1.09 C ATOM 1028 CG ASP A 71 -15.028 -4.986 -8.294 1.00 1.66 C ATOM 1029 OD1 ASP A 71 -15.471 -4.396 -7.321 1.00 2.36 O ATOM 1030 OD2 ASP A 71 -15.642 -5.135 -9.338 1.00 2.25 O ATOM 0 H ASP A 71 -11.523 -6.808 -7.598 1.00 0.67 H new ATOM 0 HA ASP A 71 -14.007 -6.282 -6.207 1.00 0.91 H new ATOM 0 HB2 ASP A 71 -12.904 -4.798 -7.935 1.00 1.09 H new ATOM 0 HB3 ASP A 71 -13.315 -5.979 -9.162 1.00 1.09 H new ATOM 1035 N SER A 72 -13.772 -8.892 -8.058 1.00 0.90 N ATOM 1036 CA SER A 72 -14.440 -10.125 -8.558 1.00 1.20 C ATOM 1037 C SER A 72 -15.397 -10.704 -7.520 1.00 0.98 C ATOM 1038 O SER A 72 -16.294 -11.449 -7.860 1.00 1.02 O ATOM 1039 CB SER A 72 -13.360 -11.177 -8.829 1.00 1.57 C ATOM 1040 OG SER A 72 -13.925 -12.240 -9.587 1.00 2.09 O ATOM 0 H SER A 72 -12.753 -8.927 -8.089 1.00 0.90 H new ATOM 0 HA SER A 72 -15.003 -9.870 -9.456 1.00 1.20 H new ATOM 0 HB2 SER A 72 -12.527 -10.730 -9.372 1.00 1.57 H new ATOM 0 HB3 SER A 72 -12.961 -11.557 -7.889 1.00 1.57 H new ATOM 0 HG SER A 72 -13.238 -12.916 -9.765 1.00 2.09 H new ATOM 1046 N ASN A 73 -15.199 -10.408 -6.250 1.00 0.92 N ATOM 1047 CA ASN A 73 -16.089 -10.997 -5.194 1.00 0.83 C ATOM 1048 C ASN A 73 -17.083 -9.954 -4.678 1.00 0.75 C ATOM 1049 O ASN A 73 -16.700 -8.933 -4.143 1.00 1.07 O ATOM 1050 CB ASN A 73 -15.215 -11.467 -4.029 1.00 0.91 C ATOM 1051 CG ASN A 73 -14.257 -12.555 -4.519 1.00 1.43 C ATOM 1052 OD1 ASN A 73 -14.568 -13.728 -4.455 1.00 2.29 O ATOM 1053 ND2 ASN A 73 -13.097 -12.214 -5.011 1.00 1.90 N ATOM 0 H ASN A 73 -14.466 -9.789 -5.904 1.00 0.92 H new ATOM 0 HA ASN A 73 -16.647 -11.829 -5.623 1.00 0.83 H new ATOM 0 HB2 ASN A 73 -14.652 -10.628 -3.621 1.00 0.91 H new ATOM 0 HB3 ASN A 73 -15.840 -11.853 -3.224 1.00 0.91 H new ATOM 0 HD21 ASN A 73 -12.452 -12.932 -5.341 1.00 1.90 H new ATOM 0 HD22 ASN A 73 -12.835 -11.230 -5.065 1.00 1.90 H new ATOM 1060 N MET A 74 -18.353 -10.196 -4.831 1.00 0.71 N ATOM 1061 CA MET A 74 -19.357 -9.208 -4.340 1.00 0.67 C ATOM 1062 C MET A 74 -19.387 -9.223 -2.807 1.00 0.67 C ATOM 1063 O MET A 74 -20.068 -8.436 -2.181 1.00 0.71 O ATOM 1064 CB MET A 74 -20.741 -9.550 -4.894 1.00 0.75 C ATOM 1065 CG MET A 74 -20.635 -9.848 -6.391 1.00 1.20 C ATOM 1066 SD MET A 74 -19.941 -8.412 -7.247 1.00 1.92 S ATOM 1067 CE MET A 74 -19.963 -9.112 -8.916 1.00 1.96 C ATOM 0 H MET A 74 -18.740 -11.030 -5.272 1.00 0.71 H new ATOM 0 HA MET A 74 -19.077 -8.212 -4.683 1.00 0.67 H new ATOM 0 HB2 MET A 74 -21.151 -10.413 -4.369 1.00 0.75 H new ATOM 0 HB3 MET A 74 -21.427 -8.719 -4.726 1.00 0.75 H new ATOM 0 HG2 MET A 74 -20.004 -10.722 -6.555 1.00 1.20 H new ATOM 0 HG3 MET A 74 -21.619 -10.085 -6.796 1.00 1.20 H new ATOM 0 HE1 MET A 74 -19.569 -8.381 -9.622 1.00 1.96 H new ATOM 0 HE2 MET A 74 -19.347 -10.011 -8.942 1.00 1.96 H new ATOM 0 HE3 MET A 74 -20.987 -9.366 -9.190 1.00 1.96 H new ATOM 1077 N GLU A 75 -18.635 -10.102 -2.202 1.00 0.70 N ATOM 1078 CA GLU A 75 -18.589 -10.168 -0.718 1.00 0.75 C ATOM 1079 C GLU A 75 -17.619 -9.103 -0.197 1.00 0.73 C ATOM 1080 O GLU A 75 -17.981 -8.264 0.605 1.00 0.78 O ATOM 1081 CB GLU A 75 -18.103 -11.558 -0.299 1.00 0.87 C ATOM 1082 CG GLU A 75 -18.193 -11.702 1.219 1.00 1.15 C ATOM 1083 CD GLU A 75 -19.661 -11.734 1.648 1.00 1.70 C ATOM 1084 OE1 GLU A 75 -20.364 -12.635 1.221 1.00 2.29 O ATOM 1085 OE2 GLU A 75 -20.058 -10.859 2.400 1.00 2.21 O ATOM 0 H GLU A 75 -18.045 -10.783 -2.680 1.00 0.70 H new ATOM 0 HA GLU A 75 -19.581 -9.987 -0.303 1.00 0.75 H new ATOM 0 HB2 GLU A 75 -18.707 -12.326 -0.783 1.00 0.87 H new ATOM 0 HB3 GLU A 75 -17.074 -11.708 -0.627 1.00 0.87 H new ATOM 0 HG2 GLU A 75 -17.691 -12.616 1.538 1.00 1.15 H new ATOM 0 HG3 GLU A 75 -17.681 -10.871 1.704 1.00 1.15 H new ATOM 1092 N LEU A 76 -16.391 -9.127 -0.637 1.00 0.74 N ATOM 1093 CA LEU A 76 -15.410 -8.113 -0.155 1.00 0.80 C ATOM 1094 C LEU A 76 -15.877 -6.708 -0.547 1.00 0.75 C ATOM 1095 O LEU A 76 -15.610 -5.742 0.140 1.00 0.81 O ATOM 1096 CB LEU A 76 -14.030 -8.397 -0.759 1.00 0.92 C ATOM 1097 CG LEU A 76 -12.981 -7.424 -0.193 1.00 1.00 C ATOM 1098 CD1 LEU A 76 -12.734 -7.705 1.300 1.00 1.57 C ATOM 1099 CD2 LEU A 76 -11.674 -7.601 -0.973 1.00 1.51 C ATOM 0 H LEU A 76 -16.025 -9.803 -1.308 1.00 0.74 H new ATOM 0 HA LEU A 76 -15.340 -8.171 0.931 1.00 0.80 H new ATOM 0 HB2 LEU A 76 -13.736 -9.424 -0.542 1.00 0.92 H new ATOM 0 HB3 LEU A 76 -14.075 -8.301 -1.844 1.00 0.92 H new ATOM 0 HG LEU A 76 -13.345 -6.402 -0.295 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -11.989 -7.007 1.683 1.00 1.57 H new ATOM 0 HD12 LEU A 76 -13.665 -7.581 1.852 1.00 1.57 H new ATOM 0 HD13 LEU A 76 -12.372 -8.726 1.423 1.00 1.57 H new ATOM 0 HD21 LEU A 76 -10.921 -6.917 -0.582 1.00 1.51 H new ATOM 0 HD22 LEU A 76 -11.322 -8.627 -0.866 1.00 1.51 H new ATOM 0 HD23 LEU A 76 -11.847 -7.385 -2.027 1.00 1.51 H new ATOM 1111 N GLN A 77 -16.592 -6.587 -1.630 1.00 0.76 N ATOM 1112 CA GLN A 77 -17.095 -5.246 -2.041 1.00 0.74 C ATOM 1113 C GLN A 77 -18.346 -4.927 -1.223 1.00 0.71 C ATOM 1114 O GLN A 77 -18.628 -3.783 -0.921 1.00 0.72 O ATOM 1115 CB GLN A 77 -17.433 -5.248 -3.535 1.00 0.71 C ATOM 1116 CG GLN A 77 -17.751 -3.823 -3.991 1.00 1.26 C ATOM 1117 CD GLN A 77 -18.117 -3.829 -5.477 1.00 1.59 C ATOM 1118 OE1 GLN A 77 -18.202 -4.966 -6.112 1.00 2.35 O flip ATOM 1119 NE2 GLN A 77 -18.327 -2.787 -6.066 1.00 2.03 N flip ATOM 0 H GLN A 77 -16.850 -7.357 -2.248 1.00 0.76 H new ATOM 0 HA GLN A 77 -16.330 -4.491 -1.862 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -16.595 -5.645 -4.107 1.00 0.71 H new ATOM 0 HB3 GLN A 77 -18.286 -5.900 -3.724 1.00 0.71 H new ATOM 0 HG2 GLN A 77 -18.576 -3.418 -3.405 1.00 1.26 H new ATOM 0 HG3 GLN A 77 -16.891 -3.175 -3.821 1.00 1.26 H new ATOM 0 HE21 GLN A 77 -18.261 -1.898 -5.570 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -18.570 -2.801 -7.057 1.00 2.03 H new ATOM 1128 N ARG A 78 -19.086 -5.927 -0.840 1.00 0.72 N ATOM 1129 CA ARG A 78 -20.303 -5.675 -0.024 1.00 0.73 C ATOM 1130 C ARG A 78 -19.880 -5.308 1.399 1.00 0.75 C ATOM 1131 O ARG A 78 -20.445 -4.424 2.012 1.00 0.79 O ATOM 1132 CB ARG A 78 -21.176 -6.937 -0.005 1.00 0.74 C ATOM 1133 CG ARG A 78 -22.312 -6.803 1.046 1.00 0.94 C ATOM 1134 CD ARG A 78 -21.964 -7.594 2.315 1.00 1.23 C ATOM 1135 NE ARG A 78 -23.009 -7.358 3.351 1.00 1.80 N ATOM 1136 CZ ARG A 78 -23.094 -8.153 4.382 1.00 2.50 C ATOM 1137 NH1 ARG A 78 -22.272 -9.159 4.501 1.00 2.83 N ATOM 1138 NH2 ARG A 78 -24.005 -7.943 5.293 1.00 3.41 N ATOM 0 H ARG A 78 -18.901 -6.907 -1.056 1.00 0.72 H new ATOM 0 HA ARG A 78 -20.877 -4.854 -0.454 1.00 0.73 H new ATOM 0 HB2 ARG A 78 -21.606 -7.103 -0.993 1.00 0.74 H new ATOM 0 HB3 ARG A 78 -20.561 -7.807 0.226 1.00 0.74 H new ATOM 0 HG2 ARG A 78 -22.464 -5.753 1.295 1.00 0.94 H new ATOM 0 HG3 ARG A 78 -23.249 -7.170 0.627 1.00 0.94 H new ATOM 0 HD2 ARG A 78 -21.897 -8.658 2.086 1.00 1.23 H new ATOM 0 HD3 ARG A 78 -20.988 -7.287 2.691 1.00 1.23 H new ATOM 0 HE ARG A 78 -23.657 -6.576 3.254 1.00 1.80 H new ATOM 0 HH11 ARG A 78 -21.562 -9.325 3.788 1.00 2.83 H new ATOM 0 HH12 ARG A 78 -22.339 -9.780 5.307 1.00 2.83 H new ATOM 0 HH21 ARG A 78 -24.649 -7.158 5.198 1.00 3.41 H new ATOM 0 HH22 ARG A 78 -24.072 -8.564 6.099 1.00 3.41 H new ATOM 1152 N MET A 79 -18.880 -5.963 1.930 1.00 0.75 N ATOM 1153 CA MET A 79 -18.424 -5.627 3.306 1.00 0.77 C ATOM 1154 C MET A 79 -17.873 -4.199 3.305 1.00 0.77 C ATOM 1155 O MET A 79 -18.223 -3.388 4.140 1.00 0.78 O ATOM 1156 CB MET A 79 -17.331 -6.609 3.737 1.00 0.81 C ATOM 1157 CG MET A 79 -17.967 -7.960 4.074 1.00 1.08 C ATOM 1158 SD MET A 79 -16.675 -9.137 4.547 1.00 1.07 S ATOM 1159 CE MET A 79 -16.659 -8.759 6.316 1.00 0.81 C ATOM 0 H MET A 79 -18.363 -6.713 1.470 1.00 0.75 H new ATOM 0 HA MET A 79 -19.257 -5.698 4.005 1.00 0.77 H new ATOM 0 HB2 MET A 79 -16.598 -6.728 2.939 1.00 0.81 H new ATOM 0 HB3 MET A 79 -16.797 -6.219 4.604 1.00 0.81 H new ATOM 0 HG2 MET A 79 -18.683 -7.844 4.888 1.00 1.08 H new ATOM 0 HG3 MET A 79 -18.520 -8.338 3.214 1.00 1.08 H new ATOM 0 HE1 MET A 79 -15.733 -9.127 6.758 1.00 0.81 H new ATOM 0 HE2 MET A 79 -16.726 -7.680 6.458 1.00 0.81 H new ATOM 0 HE3 MET A 79 -17.508 -9.242 6.799 1.00 0.81 H new ATOM 1169 N ILE A 80 -17.027 -3.876 2.361 1.00 0.77 N ATOM 1170 CA ILE A 80 -16.476 -2.492 2.297 1.00 0.80 C ATOM 1171 C ILE A 80 -17.642 -1.501 2.352 1.00 0.80 C ATOM 1172 O ILE A 80 -17.520 -0.417 2.887 1.00 0.83 O ATOM 1173 CB ILE A 80 -15.684 -2.314 0.991 1.00 0.82 C ATOM 1174 CG1 ILE A 80 -14.343 -3.045 1.117 1.00 0.84 C ATOM 1175 CG2 ILE A 80 -15.428 -0.825 0.725 1.00 0.89 C ATOM 1176 CD1 ILE A 80 -13.666 -3.118 -0.254 1.00 1.10 C ATOM 0 H ILE A 80 -16.695 -4.510 1.634 1.00 0.77 H new ATOM 0 HA ILE A 80 -15.805 -2.312 3.137 1.00 0.80 H new ATOM 0 HB ILE A 80 -16.260 -2.727 0.163 1.00 0.82 H new ATOM 0 HG12 ILE A 80 -13.698 -2.524 1.825 1.00 0.84 H new ATOM 0 HG13 ILE A 80 -14.501 -4.049 1.510 1.00 0.84 H new ATOM 0 HG21 ILE A 80 -14.866 -0.712 -0.202 1.00 0.89 H new ATOM 0 HG22 ILE A 80 -16.380 -0.302 0.638 1.00 0.89 H new ATOM 0 HG23 ILE A 80 -14.855 -0.401 1.550 1.00 0.89 H new ATOM 0 HD11 ILE A 80 -12.713 -3.638 -0.162 1.00 1.10 H new ATOM 0 HD12 ILE A 80 -14.309 -3.659 -0.949 1.00 1.10 H new ATOM 0 HD13 ILE A 80 -13.494 -2.109 -0.629 1.00 1.10 H new ATOM 1188 N ALA A 81 -18.775 -1.867 1.821 1.00 0.78 N ATOM 1189 CA ALA A 81 -19.941 -0.943 1.869 1.00 0.80 C ATOM 1190 C ALA A 81 -20.498 -0.920 3.293 1.00 0.81 C ATOM 1191 O ALA A 81 -21.241 -0.033 3.664 1.00 0.85 O ATOM 1192 CB ALA A 81 -21.022 -1.426 0.910 1.00 0.79 C ATOM 0 H ALA A 81 -18.943 -2.760 1.359 1.00 0.78 H new ATOM 0 HA ALA A 81 -19.626 0.059 1.576 1.00 0.80 H new ATOM 0 HB1 ALA A 81 -21.873 -0.746 0.949 1.00 0.79 H new ATOM 0 HB2 ALA A 81 -20.624 -1.451 -0.104 1.00 0.79 H new ATOM 0 HB3 ALA A 81 -21.343 -2.427 1.198 1.00 0.79 H new ATOM 1198 N ALA A 82 -20.136 -1.881 4.098 1.00 0.78 N ATOM 1199 CA ALA A 82 -20.635 -1.901 5.498 1.00 0.80 C ATOM 1200 C ALA A 82 -19.975 -0.765 6.276 1.00 0.79 C ATOM 1201 O ALA A 82 -20.536 -0.258 7.226 1.00 0.83 O ATOM 1202 CB ALA A 82 -20.281 -3.237 6.154 1.00 0.87 C ATOM 0 H ALA A 82 -19.517 -2.651 3.845 1.00 0.78 H new ATOM 0 HA ALA A 82 -21.718 -1.776 5.502 1.00 0.80 H new ATOM 0 HB1 ALA A 82 -20.649 -3.247 7.180 1.00 0.87 H new ATOM 0 HB2 ALA A 82 -20.743 -4.051 5.595 1.00 0.87 H new ATOM 0 HB3 ALA A 82 -19.199 -3.366 6.155 1.00 0.87 H new ATOM 1208 N VAL A 83 -18.800 -0.339 5.885 1.00 0.80 N ATOM 1209 CA VAL A 83 -18.135 0.779 6.612 1.00 0.85 C ATOM 1210 C VAL A 83 -18.878 2.079 6.307 1.00 0.99 C ATOM 1211 O VAL A 83 -18.453 2.889 5.508 1.00 1.36 O ATOM 1212 CB VAL A 83 -16.682 0.889 6.143 1.00 0.97 C ATOM 1213 CG1 VAL A 83 -15.923 1.870 7.036 1.00 1.81 C ATOM 1214 CG2 VAL A 83 -16.015 -0.488 6.215 1.00 1.40 C ATOM 0 H VAL A 83 -18.276 -0.717 5.096 1.00 0.80 H new ATOM 0 HA VAL A 83 -18.153 0.593 7.686 1.00 0.85 H new ATOM 0 HB VAL A 83 -16.663 1.250 5.115 1.00 0.97 H new ATOM 0 HG11 VAL A 83 -14.889 1.945 6.698 1.00 1.81 H new ATOM 0 HG12 VAL A 83 -16.394 2.851 6.981 1.00 1.81 H new ATOM 0 HG13 VAL A 83 -15.943 1.515 8.066 1.00 1.81 H new ATOM 0 HG21 VAL A 83 -14.980 -0.409 5.881 1.00 1.40 H new ATOM 0 HG22 VAL A 83 -16.038 -0.850 7.243 1.00 1.40 H new ATOM 0 HG23 VAL A 83 -16.551 -1.186 5.572 1.00 1.40 H new ATOM 1273 N PRO A 88 -12.652 8.116 9.116 1.00 0.77 N ATOM 1274 CA PRO A 88 -11.552 7.857 8.158 1.00 0.83 C ATOM 1275 C PRO A 88 -10.209 7.645 8.886 1.00 0.73 C ATOM 1276 O PRO A 88 -9.518 6.671 8.659 1.00 0.72 O ATOM 1277 CB PRO A 88 -11.492 9.132 7.276 1.00 1.01 C ATOM 1278 CG PRO A 88 -12.425 10.191 7.928 1.00 1.07 C ATOM 1279 CD PRO A 88 -13.245 9.471 9.018 1.00 0.83 C ATOM 0 HA PRO A 88 -11.728 6.951 7.578 1.00 0.83 H new ATOM 0 HB2 PRO A 88 -10.471 9.507 7.212 1.00 1.01 H new ATOM 0 HB3 PRO A 88 -11.814 8.911 6.259 1.00 1.01 H new ATOM 0 HG2 PRO A 88 -11.841 11.003 8.360 1.00 1.07 H new ATOM 0 HG3 PRO A 88 -13.084 10.634 7.181 1.00 1.07 H new ATOM 0 HD2 PRO A 88 -13.183 9.998 9.970 1.00 0.83 H new ATOM 0 HD3 PRO A 88 -14.300 9.421 8.749 1.00 0.83 H new ATOM 1287 N ARG A 89 -9.814 8.573 9.715 1.00 0.75 N ATOM 1288 CA ARG A 89 -8.493 8.450 10.405 1.00 0.73 C ATOM 1289 C ARG A 89 -8.515 7.372 11.500 1.00 0.67 C ATOM 1290 O ARG A 89 -7.625 6.549 11.582 1.00 0.68 O ATOM 1291 CB ARG A 89 -8.124 9.801 11.022 1.00 0.79 C ATOM 1292 CG ARG A 89 -6.621 9.850 11.303 1.00 1.63 C ATOM 1293 CD ARG A 89 -6.273 11.180 11.972 1.00 1.65 C ATOM 1294 NE ARG A 89 -6.887 11.224 13.329 1.00 2.07 N ATOM 1295 CZ ARG A 89 -6.502 12.124 14.191 1.00 2.47 C ATOM 1296 NH1 ARG A 89 -5.588 12.994 13.861 1.00 2.69 N ATOM 1297 NH2 ARG A 89 -7.034 12.155 15.382 1.00 3.10 N ATOM 0 H ARG A 89 -10.347 9.411 9.946 1.00 0.75 H new ATOM 0 HA ARG A 89 -7.750 8.152 9.665 1.00 0.73 H new ATOM 0 HB2 ARG A 89 -8.403 10.608 10.345 1.00 0.79 H new ATOM 0 HB3 ARG A 89 -8.681 9.953 11.946 1.00 0.79 H new ATOM 0 HG2 ARG A 89 -6.333 9.020 11.948 1.00 1.63 H new ATOM 0 HG3 ARG A 89 -6.062 9.741 10.374 1.00 1.63 H new ATOM 0 HD2 ARG A 89 -5.191 11.291 12.046 1.00 1.65 H new ATOM 0 HD3 ARG A 89 -6.638 12.011 11.368 1.00 1.65 H new ATOM 0 HE ARG A 89 -7.609 10.550 13.584 1.00 2.07 H new ATOM 0 HH11 ARG A 89 -5.174 12.971 12.929 1.00 2.69 H new ATOM 0 HH12 ARG A 89 -5.287 13.698 14.535 1.00 2.69 H new ATOM 0 HH21 ARG A 89 -7.750 11.476 15.638 1.00 3.10 H new ATOM 0 HH22 ARG A 89 -6.733 12.858 16.057 1.00 3.10 H new ATOM 1311 N GLU A 90 -9.517 7.359 12.336 1.00 0.65 N ATOM 1312 CA GLU A 90 -9.571 6.320 13.411 1.00 0.65 C ATOM 1313 C GLU A 90 -9.548 4.932 12.763 1.00 0.64 C ATOM 1314 O GLU A 90 -8.832 4.054 13.204 1.00 0.67 O ATOM 1315 CB GLU A 90 -10.850 6.495 14.236 1.00 0.71 C ATOM 1316 CG GLU A 90 -10.945 7.941 14.731 1.00 1.32 C ATOM 1317 CD GLU A 90 -12.242 8.127 15.521 1.00 2.02 C ATOM 1318 OE1 GLU A 90 -12.278 7.716 16.669 1.00 2.46 O ATOM 1319 OE2 GLU A 90 -13.178 8.678 14.964 1.00 2.78 O ATOM 0 H GLU A 90 -10.297 8.016 12.324 1.00 0.65 H new ATOM 0 HA GLU A 90 -8.711 6.427 14.073 1.00 0.65 H new ATOM 0 HB2 GLU A 90 -11.722 6.249 13.631 1.00 0.71 H new ATOM 0 HB3 GLU A 90 -10.846 5.809 15.083 1.00 0.71 H new ATOM 0 HG2 GLU A 90 -10.087 8.178 15.360 1.00 1.32 H new ATOM 0 HG3 GLU A 90 -10.920 8.628 13.885 1.00 1.32 H new ATOM 1326 N VAL A 91 -10.311 4.710 11.739 1.00 0.64 N ATOM 1327 CA VAL A 91 -10.296 3.359 11.106 1.00 0.67 C ATOM 1328 C VAL A 91 -8.950 3.133 10.410 1.00 0.66 C ATOM 1329 O VAL A 91 -8.380 2.062 10.471 1.00 0.67 O ATOM 1330 CB VAL A 91 -11.423 3.251 10.081 1.00 0.71 C ATOM 1331 CG1 VAL A 91 -11.334 1.902 9.364 1.00 0.80 C ATOM 1332 CG2 VAL A 91 -12.769 3.352 10.799 1.00 0.75 C ATOM 0 H VAL A 91 -10.939 5.391 11.312 1.00 0.64 H new ATOM 0 HA VAL A 91 -10.440 2.603 11.878 1.00 0.67 H new ATOM 0 HB VAL A 91 -11.332 4.057 9.353 1.00 0.71 H new ATOM 0 HG11 VAL A 91 -12.138 1.825 8.632 1.00 0.80 H new ATOM 0 HG12 VAL A 91 -10.373 1.823 8.856 1.00 0.80 H new ATOM 0 HG13 VAL A 91 -11.427 1.096 10.092 1.00 0.80 H new ATOM 0 HG21 VAL A 91 -13.576 3.275 10.071 1.00 0.75 H new ATOM 0 HG22 VAL A 91 -12.856 2.543 11.524 1.00 0.75 H new ATOM 0 HG23 VAL A 91 -12.835 4.310 11.315 1.00 0.75 H new ATOM 1342 N PHE A 92 -8.452 4.132 9.736 1.00 0.64 N ATOM 1343 CA PHE A 92 -7.155 3.991 9.010 1.00 0.65 C ATOM 1344 C PHE A 92 -6.058 3.450 9.937 1.00 0.62 C ATOM 1345 O PHE A 92 -5.424 2.457 9.640 1.00 0.67 O ATOM 1346 CB PHE A 92 -6.731 5.364 8.473 1.00 0.65 C ATOM 1347 CG PHE A 92 -5.354 5.270 7.852 1.00 0.65 C ATOM 1348 CD1 PHE A 92 -5.209 4.822 6.533 1.00 1.44 C ATOM 1349 CD2 PHE A 92 -4.225 5.633 8.596 1.00 1.31 C ATOM 1350 CE1 PHE A 92 -3.934 4.736 5.959 1.00 1.47 C ATOM 1351 CE2 PHE A 92 -2.950 5.548 8.022 1.00 1.31 C ATOM 1352 CZ PHE A 92 -2.805 5.099 6.704 1.00 0.73 C ATOM 0 H PHE A 92 -8.891 5.049 9.655 1.00 0.64 H new ATOM 0 HA PHE A 92 -7.291 3.286 8.190 1.00 0.65 H new ATOM 0 HB2 PHE A 92 -7.451 5.713 7.732 1.00 0.65 H new ATOM 0 HB3 PHE A 92 -6.726 6.095 9.282 1.00 0.65 H new ATOM 0 HD1 PHE A 92 -6.080 4.543 5.959 1.00 1.44 H new ATOM 0 HD2 PHE A 92 -4.337 5.979 9.613 1.00 1.31 H new ATOM 0 HE1 PHE A 92 -3.822 4.390 4.942 1.00 1.47 H new ATOM 0 HE2 PHE A 92 -2.079 5.829 8.596 1.00 1.31 H new ATOM 0 HZ PHE A 92 -1.822 5.033 6.261 1.00 0.73 H new ATOM 1362 N PHE A 93 -5.798 4.109 11.036 1.00 0.58 N ATOM 1363 CA PHE A 93 -4.707 3.633 11.940 1.00 0.57 C ATOM 1364 C PHE A 93 -5.164 2.402 12.730 1.00 0.59 C ATOM 1365 O PHE A 93 -4.373 1.534 13.042 1.00 0.60 O ATOM 1366 CB PHE A 93 -4.318 4.757 12.904 1.00 0.57 C ATOM 1367 CG PHE A 93 -2.978 4.460 13.534 1.00 0.56 C ATOM 1368 CD1 PHE A 93 -2.896 3.593 14.630 1.00 1.15 C ATOM 1369 CD2 PHE A 93 -1.818 5.060 13.028 1.00 1.47 C ATOM 1370 CE1 PHE A 93 -1.655 3.324 15.218 1.00 1.07 C ATOM 1371 CE2 PHE A 93 -0.577 4.792 13.618 1.00 1.58 C ATOM 1372 CZ PHE A 93 -0.495 3.923 14.712 1.00 0.70 C ATOM 0 H PHE A 93 -6.288 4.948 11.345 1.00 0.58 H new ATOM 0 HA PHE A 93 -3.843 3.355 11.337 1.00 0.57 H new ATOM 0 HB2 PHE A 93 -4.275 5.706 12.370 1.00 0.57 H new ATOM 0 HB3 PHE A 93 -5.078 4.861 13.679 1.00 0.57 H new ATOM 0 HD1 PHE A 93 -3.791 3.132 15.022 1.00 1.15 H new ATOM 0 HD2 PHE A 93 -1.881 5.729 12.183 1.00 1.47 H new ATOM 0 HE1 PHE A 93 -1.592 2.654 16.063 1.00 1.07 H new ATOM 0 HE2 PHE A 93 0.317 5.256 13.229 1.00 1.58 H new ATOM 0 HZ PHE A 93 0.463 3.715 15.166 1.00 0.70 H new ATOM 1382 N ARG A 94 -6.423 2.312 13.058 1.00 0.62 N ATOM 1383 CA ARG A 94 -6.897 1.127 13.827 1.00 0.67 C ATOM 1384 C ARG A 94 -6.875 -0.112 12.928 1.00 0.66 C ATOM 1385 O ARG A 94 -6.314 -1.126 13.292 1.00 0.67 O ATOM 1386 CB ARG A 94 -8.318 1.372 14.346 1.00 0.72 C ATOM 1387 CG ARG A 94 -8.873 0.104 15.020 1.00 0.89 C ATOM 1388 CD ARG A 94 -7.903 -0.407 16.093 1.00 1.00 C ATOM 1389 NE ARG A 94 -7.320 0.748 16.838 1.00 1.95 N ATOM 1390 CZ ARG A 94 -6.701 0.553 17.970 1.00 2.64 C ATOM 1391 NH1 ARG A 94 -6.575 -0.654 18.449 1.00 2.76 N ATOM 1392 NH2 ARG A 94 -6.205 1.569 18.623 1.00 3.65 N ATOM 0 H ARG A 94 -7.139 3.001 12.829 1.00 0.62 H new ATOM 0 HA ARG A 94 -6.235 0.965 14.678 1.00 0.67 H new ATOM 0 HB2 ARG A 94 -8.314 2.197 15.058 1.00 0.72 H new ATOM 0 HB3 ARG A 94 -8.967 1.666 13.521 1.00 0.72 H new ATOM 0 HG2 ARG A 94 -9.842 0.320 15.471 1.00 0.89 H new ATOM 0 HG3 ARG A 94 -9.036 -0.671 14.271 1.00 0.89 H new ATOM 0 HD2 ARG A 94 -8.425 -1.070 16.783 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -7.108 -0.991 15.629 1.00 1.00 H new ATOM 0 HE ARG A 94 -7.406 1.692 16.461 1.00 1.95 H new ATOM 0 HH11 ARG A 94 -6.961 -1.448 17.938 1.00 2.76 H new ATOM 0 HH12 ARG A 94 -6.091 -0.803 19.334 1.00 2.76 H new ATOM 0 HH21 ARG A 94 -6.302 2.513 18.248 1.00 3.65 H new ATOM 0 HH22 ARG A 94 -5.721 1.419 19.508 1.00 3.65 H new ATOM 1406 N VAL A 95 -7.470 -0.063 11.764 1.00 0.65 N ATOM 1407 CA VAL A 95 -7.456 -1.259 10.881 1.00 0.66 C ATOM 1408 C VAL A 95 -6.011 -1.617 10.514 1.00 0.66 C ATOM 1409 O VAL A 95 -5.630 -2.772 10.505 1.00 0.67 O ATOM 1410 CB VAL A 95 -8.268 -0.941 9.605 1.00 0.64 C ATOM 1411 CG1 VAL A 95 -7.450 -0.080 8.634 1.00 1.27 C ATOM 1412 CG2 VAL A 95 -8.662 -2.247 8.908 1.00 1.08 C ATOM 0 H VAL A 95 -7.961 0.750 11.392 1.00 0.65 H new ATOM 0 HA VAL A 95 -7.902 -2.109 11.397 1.00 0.66 H new ATOM 0 HB VAL A 95 -9.160 -0.388 9.897 1.00 0.64 H new ATOM 0 HG11 VAL A 95 -8.044 0.130 7.744 1.00 1.27 H new ATOM 0 HG12 VAL A 95 -7.179 0.858 9.119 1.00 1.27 H new ATOM 0 HG13 VAL A 95 -6.544 -0.615 8.348 1.00 1.27 H new ATOM 0 HG21 VAL A 95 -9.235 -2.021 8.008 1.00 1.08 H new ATOM 0 HG22 VAL A 95 -7.763 -2.800 8.636 1.00 1.08 H new ATOM 0 HG23 VAL A 95 -9.269 -2.851 9.583 1.00 1.08 H new ATOM 1422 N ALA A 96 -5.215 -0.635 10.181 1.00 0.65 N ATOM 1423 CA ALA A 96 -3.812 -0.920 9.779 1.00 0.68 C ATOM 1424 C ALA A 96 -3.075 -1.629 10.918 1.00 0.70 C ATOM 1425 O ALA A 96 -2.634 -2.757 10.812 1.00 0.76 O ATOM 1426 CB ALA A 96 -3.114 0.408 9.470 1.00 0.69 C ATOM 0 H ALA A 96 -5.478 0.350 10.171 1.00 0.65 H new ATOM 0 HA ALA A 96 -3.805 -1.564 8.900 1.00 0.68 H new ATOM 0 HB1 ALA A 96 -2.083 0.217 9.173 1.00 0.69 H new ATOM 0 HB2 ALA A 96 -3.637 0.914 8.659 1.00 0.69 H new ATOM 0 HB3 ALA A 96 -3.125 1.040 10.358 1.00 0.69 H new ATOM 1432 N ALA A 97 -2.959 -0.929 12.015 1.00 0.74 N ATOM 1433 CA ALA A 97 -2.270 -1.474 13.222 1.00 0.78 C ATOM 1434 C ALA A 97 -2.726 -2.911 13.481 1.00 0.79 C ATOM 1435 O ALA A 97 -1.945 -3.754 13.875 1.00 0.83 O ATOM 1436 CB ALA A 97 -2.618 -0.610 14.437 1.00 0.77 C ATOM 0 H ALA A 97 -3.321 0.018 12.128 1.00 0.74 H new ATOM 0 HA ALA A 97 -1.193 -1.463 13.054 1.00 0.78 H new ATOM 0 HB1 ALA A 97 -2.116 -1.005 15.320 1.00 0.77 H new ATOM 0 HB2 ALA A 97 -2.290 0.414 14.261 1.00 0.77 H new ATOM 0 HB3 ALA A 97 -3.696 -0.623 14.596 1.00 0.77 H new ATOM 1442 N ASP A 98 -3.982 -3.199 13.280 1.00 0.78 N ATOM 1443 CA ASP A 98 -4.475 -4.582 13.535 1.00 0.82 C ATOM 1444 C ASP A 98 -3.852 -5.557 12.532 1.00 0.83 C ATOM 1445 O ASP A 98 -3.480 -6.660 12.877 1.00 0.88 O ATOM 1446 CB ASP A 98 -5.999 -4.615 13.407 1.00 0.82 C ATOM 1447 CG ASP A 98 -6.519 -5.988 13.836 1.00 1.47 C ATOM 1448 OD1 ASP A 98 -6.482 -6.269 15.023 1.00 2.13 O ATOM 1449 OD2 ASP A 98 -6.945 -6.735 12.971 1.00 2.19 O ATOM 0 H ASP A 98 -4.687 -2.539 12.951 1.00 0.78 H new ATOM 0 HA ASP A 98 -4.188 -4.881 14.543 1.00 0.82 H new ATOM 0 HB2 ASP A 98 -6.443 -3.836 14.027 1.00 0.82 H new ATOM 0 HB3 ASP A 98 -6.292 -4.409 12.378 1.00 0.82 H new ATOM 1454 N MET A 99 -3.740 -5.164 11.294 1.00 0.81 N ATOM 1455 CA MET A 99 -3.144 -6.083 10.281 1.00 0.85 C ATOM 1456 C MET A 99 -1.703 -6.401 10.692 1.00 0.97 C ATOM 1457 O MET A 99 -1.131 -7.380 10.257 1.00 1.14 O ATOM 1458 CB MET A 99 -3.154 -5.402 8.883 1.00 0.79 C ATOM 1459 CG MET A 99 -4.382 -5.829 8.037 1.00 0.81 C ATOM 1460 SD MET A 99 -5.711 -4.604 8.225 1.00 0.97 S ATOM 1461 CE MET A 99 -5.846 -4.105 6.486 1.00 0.48 C ATOM 0 H MET A 99 -4.033 -4.253 10.940 1.00 0.81 H new ATOM 0 HA MET A 99 -3.726 -7.003 10.228 1.00 0.85 H new ATOM 0 HB2 MET A 99 -3.158 -4.319 9.007 1.00 0.79 H new ATOM 0 HB3 MET A 99 -2.239 -5.658 8.349 1.00 0.79 H new ATOM 0 HG2 MET A 99 -4.100 -5.916 6.988 1.00 0.81 H new ATOM 0 HG3 MET A 99 -4.732 -6.811 8.356 1.00 0.81 H new ATOM 0 HE1 MET A 99 -6.621 -3.345 6.385 1.00 0.48 H new ATOM 0 HE2 MET A 99 -4.893 -3.698 6.149 1.00 0.48 H new ATOM 0 HE3 MET A 99 -6.105 -4.972 5.878 1.00 0.48 H new ATOM 1600 N ARG A 109 -0.048 -8.233 4.172 1.00 0.86 N ATOM 1601 CA ARG A 109 -1.129 -7.234 4.426 1.00 0.87 C ATOM 1602 C ARG A 109 -0.741 -5.936 3.709 1.00 0.70 C ATOM 1603 O ARG A 109 -1.576 -5.160 3.290 1.00 0.81 O ATOM 1604 CB ARG A 109 -1.362 -7.013 5.939 1.00 1.08 C ATOM 1605 CG ARG A 109 -0.167 -7.546 6.753 1.00 1.48 C ATOM 1606 CD ARG A 109 -0.330 -9.050 7.001 1.00 1.96 C ATOM 1607 NE ARG A 109 -1.414 -9.269 7.997 1.00 2.74 N ATOM 1608 CZ ARG A 109 -1.945 -10.453 8.133 1.00 3.19 C ATOM 1609 NH1 ARG A 109 -1.528 -11.445 7.395 1.00 3.19 N ATOM 1610 NH2 ARG A 109 -2.897 -10.643 9.006 1.00 4.08 N ATOM 0 HA ARG A 109 -2.078 -7.602 4.035 1.00 0.87 H new ATOM 0 HB2 ARG A 109 -1.502 -5.951 6.140 1.00 1.08 H new ATOM 0 HB3 ARG A 109 -2.276 -7.519 6.250 1.00 1.08 H new ATOM 0 HG2 ARG A 109 0.763 -7.356 6.216 1.00 1.48 H new ATOM 0 HG3 ARG A 109 -0.100 -7.018 7.704 1.00 1.48 H new ATOM 0 HD2 ARG A 109 -0.569 -9.560 6.068 1.00 1.96 H new ATOM 0 HD3 ARG A 109 0.606 -9.474 7.366 1.00 1.96 H new ATOM 0 HE ARG A 109 -1.742 -8.494 8.573 1.00 2.74 H new ATOM 0 HH11 ARG A 109 -0.786 -11.295 6.711 1.00 3.19 H new ATOM 0 HH12 ARG A 109 -1.944 -12.370 7.502 1.00 3.19 H new ATOM 0 HH21 ARG A 109 -3.225 -9.866 9.580 1.00 4.08 H new ATOM 0 HH22 ARG A 109 -3.313 -11.568 9.114 1.00 4.08 H new ATOM 1624 N VAL A 110 0.543 -5.714 3.554 1.00 0.60 N ATOM 1625 CA VAL A 110 1.016 -4.491 2.851 1.00 0.68 C ATOM 1626 C VAL A 110 0.276 -4.379 1.523 1.00 0.56 C ATOM 1627 O VAL A 110 -0.212 -3.318 1.191 1.00 0.60 O ATOM 1628 CB VAL A 110 2.531 -4.560 2.617 1.00 0.88 C ATOM 1629 CG1 VAL A 110 2.975 -3.414 1.704 1.00 1.27 C ATOM 1630 CG2 VAL A 110 3.261 -4.452 3.957 1.00 1.73 C ATOM 0 H VAL A 110 1.282 -6.333 3.887 1.00 0.60 H new ATOM 0 HA VAL A 110 0.812 -3.612 3.462 1.00 0.68 H new ATOM 0 HB VAL A 110 2.773 -5.511 2.142 1.00 0.88 H new ATOM 0 HG11 VAL A 110 4.052 -3.472 1.544 1.00 1.27 H new ATOM 0 HG12 VAL A 110 2.461 -3.492 0.746 1.00 1.27 H new ATOM 0 HG13 VAL A 110 2.729 -2.460 2.171 1.00 1.27 H new ATOM 0 HG21 VAL A 110 4.337 -4.501 3.790 1.00 1.73 H new ATOM 0 HG22 VAL A 110 3.010 -3.504 4.432 1.00 1.73 H new ATOM 0 HG23 VAL A 110 2.956 -5.274 4.605 1.00 1.73 H new ATOM 1640 N VAL A 111 0.140 -5.431 0.760 1.00 0.51 N ATOM 1641 CA VAL A 111 -0.617 -5.298 -0.507 1.00 0.50 C ATOM 1642 C VAL A 111 -2.023 -4.810 -0.163 1.00 0.46 C ATOM 1643 O VAL A 111 -2.529 -3.873 -0.747 1.00 0.47 O ATOM 1644 CB VAL A 111 -0.692 -6.669 -1.184 1.00 0.58 C ATOM 1645 CG1 VAL A 111 -1.318 -6.528 -2.570 1.00 1.41 C ATOM 1646 CG2 VAL A 111 0.721 -7.247 -1.319 1.00 1.36 C ATOM 0 H VAL A 111 0.515 -6.359 0.958 1.00 0.51 H new ATOM 0 HA VAL A 111 -0.132 -4.593 -1.182 1.00 0.50 H new ATOM 0 HB VAL A 111 -1.305 -7.337 -0.579 1.00 0.58 H new ATOM 0 HG11 VAL A 111 -1.369 -7.507 -3.047 1.00 1.41 H new ATOM 0 HG12 VAL A 111 -2.323 -6.118 -2.475 1.00 1.41 H new ATOM 0 HG13 VAL A 111 -0.709 -5.859 -3.178 1.00 1.41 H new ATOM 0 HG21 VAL A 111 0.670 -8.223 -1.801 1.00 1.36 H new ATOM 0 HG22 VAL A 111 1.332 -6.576 -1.922 1.00 1.36 H new ATOM 0 HG23 VAL A 111 1.167 -7.353 -0.330 1.00 1.36 H new ATOM 1656 N ALA A 112 -2.649 -5.428 0.806 1.00 0.45 N ATOM 1657 CA ALA A 112 -4.019 -4.982 1.213 1.00 0.47 C ATOM 1658 C ALA A 112 -3.957 -3.520 1.668 1.00 0.46 C ATOM 1659 O ALA A 112 -4.782 -2.712 1.289 1.00 0.54 O ATOM 1660 CB ALA A 112 -4.533 -5.860 2.358 1.00 0.53 C ATOM 0 H ALA A 112 -2.275 -6.218 1.331 1.00 0.45 H new ATOM 0 HA ALA A 112 -4.699 -5.073 0.366 1.00 0.47 H new ATOM 0 HB1 ALA A 112 -5.530 -5.531 2.650 1.00 0.53 H new ATOM 0 HB2 ALA A 112 -4.576 -6.898 2.029 1.00 0.53 H new ATOM 0 HB3 ALA A 112 -3.859 -5.777 3.211 1.00 0.53 H new ATOM 1666 N LEU A 113 -2.987 -3.164 2.456 1.00 0.43 N ATOM 1667 CA LEU A 113 -2.878 -1.747 2.904 1.00 0.43 C ATOM 1668 C LEU A 113 -2.904 -0.820 1.677 1.00 0.42 C ATOM 1669 O LEU A 113 -3.673 0.118 1.605 1.00 0.45 O ATOM 1670 CB LEU A 113 -1.545 -1.567 3.670 1.00 0.44 C ATOM 1671 CG LEU A 113 -1.739 -0.598 4.849 1.00 0.51 C ATOM 1672 CD1 LEU A 113 -0.438 -0.479 5.638 1.00 1.45 C ATOM 1673 CD2 LEU A 113 -2.146 0.782 4.321 1.00 1.27 C ATOM 0 H LEU A 113 -2.264 -3.790 2.811 1.00 0.43 H new ATOM 0 HA LEU A 113 -3.713 -1.496 3.558 1.00 0.43 H new ATOM 0 HB2 LEU A 113 -1.194 -2.532 4.036 1.00 0.44 H new ATOM 0 HB3 LEU A 113 -0.779 -1.184 2.996 1.00 0.44 H new ATOM 0 HG LEU A 113 -2.523 -0.981 5.502 1.00 0.51 H new ATOM 0 HD11 LEU A 113 -0.580 0.208 6.472 1.00 1.45 H new ATOM 0 HD12 LEU A 113 -0.153 -1.459 6.020 1.00 1.45 H new ATOM 0 HD13 LEU A 113 0.350 -0.101 4.986 1.00 1.45 H new ATOM 0 HD21 LEU A 113 -2.283 1.466 5.158 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -1.365 1.165 3.663 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -3.080 0.698 3.765 1.00 1.27 H new ATOM 1685 N PHE A 114 -2.064 -1.088 0.712 1.00 0.40 N ATOM 1686 CA PHE A 114 -2.017 -0.246 -0.521 1.00 0.40 C ATOM 1687 C PHE A 114 -3.416 -0.126 -1.138 1.00 0.39 C ATOM 1688 O PHE A 114 -3.827 0.928 -1.582 1.00 0.41 O ATOM 1689 CB PHE A 114 -1.063 -0.907 -1.540 1.00 0.41 C ATOM 1690 CG PHE A 114 0.368 -0.462 -1.286 1.00 0.44 C ATOM 1691 CD1 PHE A 114 0.712 0.887 -1.427 1.00 1.27 C ATOM 1692 CD2 PHE A 114 1.344 -1.396 -0.915 1.00 1.29 C ATOM 1693 CE1 PHE A 114 2.028 1.305 -1.199 1.00 1.27 C ATOM 1694 CE2 PHE A 114 2.663 -0.978 -0.687 1.00 1.38 C ATOM 1695 CZ PHE A 114 3.004 0.373 -0.829 1.00 0.68 C ATOM 0 H PHE A 114 -1.401 -1.863 0.725 1.00 0.40 H new ATOM 0 HA PHE A 114 -1.661 0.751 -0.263 1.00 0.40 H new ATOM 0 HB2 PHE A 114 -1.133 -1.992 -1.464 1.00 0.41 H new ATOM 0 HB3 PHE A 114 -1.360 -0.639 -2.554 1.00 0.41 H new ATOM 0 HD1 PHE A 114 -0.040 1.608 -1.713 1.00 1.27 H new ATOM 0 HD2 PHE A 114 1.081 -2.438 -0.805 1.00 1.29 H new ATOM 0 HE1 PHE A 114 2.290 2.347 -1.309 1.00 1.27 H new ATOM 0 HE2 PHE A 114 3.416 -1.698 -0.402 1.00 1.38 H new ATOM 0 HZ PHE A 114 4.020 0.695 -0.653 1.00 0.68 H new ATOM 1705 N TYR A 115 -4.140 -1.208 -1.178 1.00 0.40 N ATOM 1706 CA TYR A 115 -5.505 -1.179 -1.778 1.00 0.41 C ATOM 1707 C TYR A 115 -6.499 -0.549 -0.802 1.00 0.41 C ATOM 1708 O TYR A 115 -7.463 0.087 -1.195 1.00 0.44 O ATOM 1709 CB TYR A 115 -5.948 -2.609 -2.105 1.00 0.44 C ATOM 1710 CG TYR A 115 -7.300 -2.579 -2.779 1.00 0.47 C ATOM 1711 CD1 TYR A 115 -7.388 -2.380 -4.162 1.00 1.28 C ATOM 1712 CD2 TYR A 115 -8.464 -2.752 -2.021 1.00 1.24 C ATOM 1713 CE1 TYR A 115 -8.640 -2.353 -4.787 1.00 1.32 C ATOM 1714 CE2 TYR A 115 -9.717 -2.725 -2.647 1.00 1.26 C ATOM 1715 CZ TYR A 115 -9.805 -2.525 -4.029 1.00 0.61 C ATOM 1716 OH TYR A 115 -11.039 -2.498 -4.646 1.00 0.70 O ATOM 0 H TYR A 115 -3.845 -2.116 -0.820 1.00 0.40 H new ATOM 0 HA TYR A 115 -5.479 -0.583 -2.690 1.00 0.41 H new ATOM 0 HB2 TYR A 115 -5.216 -3.087 -2.756 1.00 0.44 H new ATOM 0 HB3 TYR A 115 -5.999 -3.203 -1.192 1.00 0.44 H new ATOM 0 HD1 TYR A 115 -6.490 -2.247 -4.747 1.00 1.28 H new ATOM 0 HD2 TYR A 115 -8.396 -2.906 -0.954 1.00 1.24 H new ATOM 0 HE1 TYR A 115 -8.708 -2.200 -5.854 1.00 1.32 H new ATOM 0 HE2 TYR A 115 -10.615 -2.859 -2.063 1.00 1.26 H new ATOM 0 HH TYR A 115 -11.742 -2.634 -3.977 1.00 0.70 H new ATOM 1726 N PHE A 116 -6.273 -0.712 0.469 1.00 0.38 N ATOM 1727 CA PHE A 116 -7.210 -0.118 1.458 1.00 0.38 C ATOM 1728 C PHE A 116 -7.192 1.408 1.328 1.00 0.36 C ATOM 1729 O PHE A 116 -8.219 2.053 1.298 1.00 0.35 O ATOM 1730 CB PHE A 116 -6.786 -0.503 2.877 1.00 0.40 C ATOM 1731 CG PHE A 116 -7.814 0.016 3.858 1.00 0.37 C ATOM 1732 CD1 PHE A 116 -9.051 -0.629 3.982 1.00 1.35 C ATOM 1733 CD2 PHE A 116 -7.533 1.145 4.639 1.00 1.17 C ATOM 1734 CE1 PHE A 116 -10.005 -0.147 4.886 1.00 1.37 C ATOM 1735 CE2 PHE A 116 -8.489 1.627 5.543 1.00 1.18 C ATOM 1736 CZ PHE A 116 -9.724 0.980 5.666 1.00 0.45 C ATOM 0 H PHE A 116 -5.486 -1.227 0.864 1.00 0.38 H new ATOM 0 HA PHE A 116 -8.214 -0.495 1.265 1.00 0.38 H new ATOM 0 HB2 PHE A 116 -6.698 -1.586 2.962 1.00 0.40 H new ATOM 0 HB3 PHE A 116 -5.805 -0.084 3.103 1.00 0.40 H new ATOM 0 HD1 PHE A 116 -9.269 -1.499 3.380 1.00 1.35 H new ATOM 0 HD2 PHE A 116 -6.580 1.644 4.544 1.00 1.17 H new ATOM 0 HE1 PHE A 116 -10.958 -0.645 4.981 1.00 1.37 H new ATOM 0 HE2 PHE A 116 -8.273 2.497 6.145 1.00 1.18 H new ATOM 0 HZ PHE A 116 -10.460 1.351 6.363 1.00 0.45 H new ATOM 1746 N ALA A 117 -6.031 1.997 1.240 1.00 0.35 N ATOM 1747 CA ALA A 117 -5.967 3.476 1.104 1.00 0.34 C ATOM 1748 C ALA A 117 -6.561 3.884 -0.245 1.00 0.34 C ATOM 1749 O ALA A 117 -7.174 4.924 -0.374 1.00 0.34 O ATOM 1750 CB ALA A 117 -4.512 3.944 1.189 1.00 0.37 C ATOM 0 H ALA A 117 -5.130 1.520 1.256 1.00 0.35 H new ATOM 0 HA ALA A 117 -6.536 3.939 1.910 1.00 0.34 H new ATOM 0 HB1 ALA A 117 -4.472 5.029 1.089 1.00 0.37 H new ATOM 0 HB2 ALA A 117 -4.092 3.653 2.152 1.00 0.37 H new ATOM 0 HB3 ALA A 117 -3.934 3.484 0.387 1.00 0.37 H new ATOM 1756 N SER A 118 -6.389 3.071 -1.253 1.00 0.35 N ATOM 1757 CA SER A 118 -6.945 3.416 -2.588 1.00 0.37 C ATOM 1758 C SER A 118 -8.416 3.801 -2.452 1.00 0.36 C ATOM 1759 O SER A 118 -8.883 4.742 -3.063 1.00 0.36 O ATOM 1760 CB SER A 118 -6.821 2.213 -3.522 1.00 0.42 C ATOM 1761 OG SER A 118 -5.483 1.736 -3.493 1.00 1.25 O ATOM 0 H SER A 118 -5.887 2.184 -1.207 1.00 0.35 H new ATOM 0 HA SER A 118 -6.388 4.257 -3.000 1.00 0.37 H new ATOM 0 HB2 SER A 118 -7.508 1.425 -3.213 1.00 0.42 H new ATOM 0 HB3 SER A 118 -7.097 2.496 -4.538 1.00 0.42 H new ATOM 0 HG SER A 118 -5.273 1.405 -2.595 1.00 1.25 H new ATOM 1767 N LYS A 119 -9.143 3.104 -1.619 1.00 0.37 N ATOM 1768 CA LYS A 119 -10.573 3.466 -1.414 1.00 0.39 C ATOM 1769 C LYS A 119 -10.619 4.859 -0.762 1.00 0.36 C ATOM 1770 O LYS A 119 -11.250 5.758 -1.269 1.00 0.38 O ATOM 1771 CB LYS A 119 -11.281 2.383 -0.542 1.00 0.46 C ATOM 1772 CG LYS A 119 -11.311 2.768 0.958 1.00 1.29 C ATOM 1773 CD LYS A 119 -11.916 1.621 1.811 1.00 1.84 C ATOM 1774 CE LYS A 119 -13.386 1.910 2.157 1.00 2.48 C ATOM 1775 NZ LYS A 119 -13.840 0.953 3.202 1.00 3.36 N ATOM 0 H LYS A 119 -8.811 2.307 -1.077 1.00 0.37 H new ATOM 0 HA LYS A 119 -11.108 3.502 -2.363 1.00 0.39 H new ATOM 0 HB2 LYS A 119 -12.301 2.241 -0.899 1.00 0.46 H new ATOM 0 HB3 LYS A 119 -10.766 1.430 -0.661 1.00 0.46 H new ATOM 0 HG2 LYS A 119 -10.300 2.988 1.302 1.00 1.29 H new ATOM 0 HG3 LYS A 119 -11.898 3.676 1.093 1.00 1.29 H new ATOM 0 HD2 LYS A 119 -11.845 0.680 1.265 1.00 1.84 H new ATOM 0 HD3 LYS A 119 -11.339 1.502 2.728 1.00 1.84 H new ATOM 0 HE2 LYS A 119 -13.493 2.934 2.514 1.00 2.48 H new ATOM 0 HE3 LYS A 119 -14.007 1.816 1.266 1.00 2.48 H new ATOM 0 HZ1 LYS A 119 -14.876 0.867 3.167 1.00 3.36 H new ATOM 0 HZ2 LYS A 119 -13.409 0.022 3.031 1.00 3.36 H new ATOM 0 HZ3 LYS A 119 -13.553 1.300 4.139 1.00 3.36 H new ATOM 1789 N LEU A 120 -9.937 5.062 0.332 1.00 0.36 N ATOM 1790 CA LEU A 120 -9.950 6.415 0.970 1.00 0.35 C ATOM 1791 C LEU A 120 -9.638 7.471 -0.103 1.00 0.33 C ATOM 1792 O LEU A 120 -10.277 8.501 -0.187 1.00 0.39 O ATOM 1793 CB LEU A 120 -8.884 6.450 2.090 1.00 0.36 C ATOM 1794 CG LEU A 120 -9.546 6.314 3.471 1.00 0.68 C ATOM 1795 CD1 LEU A 120 -10.217 4.944 3.601 1.00 1.69 C ATOM 1796 CD2 LEU A 120 -8.477 6.454 4.554 1.00 1.28 C ATOM 0 H LEU A 120 -9.375 4.358 0.811 1.00 0.36 H new ATOM 0 HA LEU A 120 -10.927 6.626 1.404 1.00 0.35 H new ATOM 0 HB2 LEU A 120 -8.167 5.642 1.943 1.00 0.36 H new ATOM 0 HB3 LEU A 120 -8.325 7.385 2.039 1.00 0.36 H new ATOM 0 HG LEU A 120 -10.300 7.093 3.585 1.00 0.68 H new ATOM 0 HD11 LEU A 120 -10.683 4.859 4.583 1.00 1.69 H new ATOM 0 HD12 LEU A 120 -10.978 4.837 2.828 1.00 1.69 H new ATOM 0 HD13 LEU A 120 -9.469 4.160 3.485 1.00 1.69 H new ATOM 0 HD21 LEU A 120 -8.940 6.359 5.536 1.00 1.28 H new ATOM 0 HD22 LEU A 120 -7.727 5.673 4.428 1.00 1.28 H new ATOM 0 HD23 LEU A 120 -8.000 7.431 4.471 1.00 1.28 H new ATOM 1808 N VAL A 121 -8.674 7.196 -0.934 1.00 0.33 N ATOM 1809 CA VAL A 121 -8.308 8.138 -2.029 1.00 0.39 C ATOM 1810 C VAL A 121 -9.436 8.205 -3.059 1.00 0.36 C ATOM 1811 O VAL A 121 -10.048 9.235 -3.261 1.00 0.39 O ATOM 1812 CB VAL A 121 -7.034 7.642 -2.710 1.00 0.54 C ATOM 1813 CG1 VAL A 121 -6.681 8.585 -3.861 1.00 0.95 C ATOM 1814 CG2 VAL A 121 -5.887 7.635 -1.693 1.00 1.18 C ATOM 0 H VAL A 121 -8.114 6.344 -0.901 1.00 0.33 H new ATOM 0 HA VAL A 121 -8.146 9.131 -1.611 1.00 0.39 H new ATOM 0 HB VAL A 121 -7.190 6.634 -3.094 1.00 0.54 H new ATOM 0 HG11 VAL A 121 -5.772 8.236 -4.351 1.00 0.95 H new ATOM 0 HG12 VAL A 121 -7.499 8.602 -4.582 1.00 0.95 H new ATOM 0 HG13 VAL A 121 -6.520 9.590 -3.472 1.00 0.95 H new ATOM 0 HG21 VAL A 121 -4.976 7.282 -2.175 1.00 1.18 H new ATOM 0 HG22 VAL A 121 -5.729 8.645 -1.315 1.00 1.18 H new ATOM 0 HG23 VAL A 121 -6.139 6.973 -0.864 1.00 1.18 H new ATOM 1824 N LEU A 122 -9.709 7.114 -3.719 1.00 0.37 N ATOM 1825 CA LEU A 122 -10.791 7.117 -4.743 1.00 0.39 C ATOM 1826 C LEU A 122 -12.095 7.630 -4.128 1.00 0.40 C ATOM 1827 O LEU A 122 -12.748 8.491 -4.683 1.00 0.40 O ATOM 1828 CB LEU A 122 -11.002 5.703 -5.300 1.00 0.42 C ATOM 1829 CG LEU A 122 -9.732 5.219 -6.020 1.00 0.72 C ATOM 1830 CD1 LEU A 122 -9.819 3.705 -6.237 1.00 1.15 C ATOM 1831 CD2 LEU A 122 -9.592 5.892 -7.393 1.00 1.24 C ATOM 0 H LEU A 122 -9.231 6.222 -3.594 1.00 0.37 H new ATOM 0 HA LEU A 122 -10.495 7.777 -5.558 1.00 0.39 H new ATOM 0 HB2 LEU A 122 -11.252 5.019 -4.489 1.00 0.42 H new ATOM 0 HB3 LEU A 122 -11.844 5.699 -5.992 1.00 0.42 H new ATOM 0 HG LEU A 122 -8.871 5.475 -5.402 1.00 0.72 H new ATOM 0 HD11 LEU A 122 -8.920 3.358 -6.747 1.00 1.15 H new ATOM 0 HD12 LEU A 122 -9.905 3.204 -5.273 1.00 1.15 H new ATOM 0 HD13 LEU A 122 -10.693 3.474 -6.845 1.00 1.15 H new ATOM 0 HD21 LEU A 122 -8.687 5.534 -7.883 1.00 1.24 H new ATOM 0 HD22 LEU A 122 -10.458 5.648 -8.008 1.00 1.24 H new ATOM 0 HD23 LEU A 122 -9.532 6.973 -7.264 1.00 1.24 H new ATOM 1843 N LYS A 123 -12.487 7.121 -2.992 1.00 0.51 N ATOM 1844 CA LYS A 123 -13.752 7.615 -2.380 1.00 0.55 C ATOM 1845 C LYS A 123 -13.675 9.142 -2.256 1.00 0.54 C ATOM 1846 O LYS A 123 -14.664 9.828 -2.393 1.00 0.55 O ATOM 1847 CB LYS A 123 -13.962 6.983 -0.984 1.00 0.59 C ATOM 1848 CG LYS A 123 -15.467 6.808 -0.691 1.00 0.97 C ATOM 1849 CD LYS A 123 -15.954 5.471 -1.264 1.00 1.37 C ATOM 1850 CE LYS A 123 -17.448 5.304 -0.984 1.00 1.74 C ATOM 1851 NZ LYS A 123 -17.711 5.534 0.465 1.00 2.32 N ATOM 0 H LYS A 123 -11.995 6.397 -2.469 1.00 0.51 H new ATOM 0 HA LYS A 123 -14.595 7.333 -3.012 1.00 0.55 H new ATOM 0 HB2 LYS A 123 -13.461 6.016 -0.937 1.00 0.59 H new ATOM 0 HB3 LYS A 123 -13.508 7.614 -0.220 1.00 0.59 H new ATOM 0 HG2 LYS A 123 -15.644 6.840 0.384 1.00 0.97 H new ATOM 0 HG3 LYS A 123 -16.031 7.630 -1.131 1.00 0.97 H new ATOM 0 HD2 LYS A 123 -15.769 5.436 -2.338 1.00 1.37 H new ATOM 0 HD3 LYS A 123 -15.396 4.648 -0.817 1.00 1.37 H new ATOM 0 HE2 LYS A 123 -18.022 6.009 -1.585 1.00 1.74 H new ATOM 0 HE3 LYS A 123 -17.773 4.303 -1.269 1.00 1.74 H new ATOM 0 HZ1 LYS A 123 -18.613 5.090 0.729 1.00 2.32 H new ATOM 0 HZ2 LYS A 123 -16.942 5.117 1.028 1.00 2.32 H new ATOM 0 HZ3 LYS A 123 -17.761 6.556 0.651 1.00 2.32 H new ATOM 1865 N ALA A 124 -12.504 9.672 -1.980 1.00 0.52 N ATOM 1866 CA ALA A 124 -12.368 11.153 -1.825 1.00 0.52 C ATOM 1867 C ALA A 124 -12.395 11.835 -3.193 1.00 0.51 C ATOM 1868 O ALA A 124 -12.838 12.958 -3.336 1.00 0.54 O ATOM 1869 CB ALA A 124 -11.073 11.494 -1.099 1.00 0.51 C ATOM 0 H ALA A 124 -11.641 9.142 -1.856 1.00 0.52 H new ATOM 0 HA ALA A 124 -13.208 11.516 -1.234 1.00 0.52 H new ATOM 0 HB1 ALA A 124 -10.989 12.576 -0.994 1.00 0.51 H new ATOM 0 HB2 ALA A 124 -11.077 11.033 -0.111 1.00 0.51 H new ATOM 0 HB3 ALA A 124 -10.225 11.118 -1.671 1.00 0.51 H new ATOM 1875 N LEU A 125 -11.932 11.150 -4.203 1.00 0.47 N ATOM 1876 CA LEU A 125 -11.933 11.730 -5.573 1.00 0.47 C ATOM 1877 C LEU A 125 -13.382 11.992 -6.006 1.00 0.48 C ATOM 1878 O LEU A 125 -13.705 13.034 -6.540 1.00 0.48 O ATOM 1879 CB LEU A 125 -11.283 10.723 -6.549 1.00 0.51 C ATOM 1880 CG LEU A 125 -10.616 11.460 -7.726 1.00 0.49 C ATOM 1881 CD1 LEU A 125 -10.197 10.442 -8.788 1.00 1.10 C ATOM 1882 CD2 LEU A 125 -11.599 12.462 -8.355 1.00 1.21 C ATOM 0 H LEU A 125 -11.551 10.206 -4.135 1.00 0.47 H new ATOM 0 HA LEU A 125 -11.372 12.664 -5.581 1.00 0.47 H new ATOM 0 HB2 LEU A 125 -10.541 10.124 -6.021 1.00 0.51 H new ATOM 0 HB3 LEU A 125 -12.039 10.034 -6.926 1.00 0.51 H new ATOM 0 HG LEU A 125 -9.744 11.998 -7.355 1.00 0.49 H new ATOM 0 HD11 LEU A 125 -9.725 10.960 -9.622 1.00 1.10 H new ATOM 0 HD12 LEU A 125 -9.491 9.734 -8.354 1.00 1.10 H new ATOM 0 HD13 LEU A 125 -11.076 9.906 -9.145 1.00 1.10 H new ATOM 0 HD21 LEU A 125 -11.114 12.975 -9.185 1.00 1.21 H new ATOM 0 HD22 LEU A 125 -12.477 11.930 -8.721 1.00 1.21 H new ATOM 0 HD23 LEU A 125 -11.904 13.192 -7.605 1.00 1.21 H new ATOM 1894 N CYS A 126 -14.249 11.040 -5.794 1.00 0.52 N ATOM 1895 CA CYS A 126 -15.674 11.215 -6.212 1.00 0.57 C ATOM 1896 C CYS A 126 -16.330 12.310 -5.367 1.00 0.57 C ATOM 1897 O CYS A 126 -17.178 13.059 -5.813 1.00 0.68 O ATOM 1898 CB CYS A 126 -16.421 9.877 -6.032 1.00 0.66 C ATOM 1899 SG CYS A 126 -17.026 9.709 -4.327 1.00 1.67 S ATOM 0 H CYS A 126 -14.035 10.147 -5.349 1.00 0.52 H new ATOM 0 HA CYS A 126 -15.719 11.512 -7.260 1.00 0.57 H new ATOM 0 HB2 CYS A 126 -17.258 9.825 -6.728 1.00 0.66 H new ATOM 0 HB3 CYS A 126 -15.756 9.047 -6.271 1.00 0.66 H new ATOM 0 HG CYS A 126 -16.015 9.609 -3.516 1.00 1.67 H new ATOM 1905 N THR A 127 -15.933 12.376 -4.140 1.00 0.57 N ATOM 1906 CA THR A 127 -16.516 13.391 -3.224 1.00 0.60 C ATOM 1907 C THR A 127 -16.124 14.795 -3.708 1.00 0.62 C ATOM 1908 O THR A 127 -16.642 15.785 -3.233 1.00 0.70 O ATOM 1909 CB THR A 127 -16.001 13.155 -1.782 1.00 0.60 C ATOM 1910 OG1 THR A 127 -15.278 11.953 -1.762 1.00 1.14 O ATOM 1911 CG2 THR A 127 -17.173 13.026 -0.800 1.00 1.19 C ATOM 0 H THR A 127 -15.226 11.770 -3.723 1.00 0.57 H new ATOM 0 HA THR A 127 -17.602 13.304 -3.223 1.00 0.60 H new ATOM 0 HB THR A 127 -15.379 14.000 -1.486 1.00 0.60 H new ATOM 0 HG1 THR A 127 -15.864 11.215 -2.031 1.00 1.14 H new ATOM 0 HG21 THR A 127 -16.788 12.861 0.206 1.00 1.19 H new ATOM 0 HG22 THR A 127 -17.764 13.942 -0.817 1.00 1.19 H new ATOM 0 HG23 THR A 127 -17.801 12.184 -1.091 1.00 1.19 H new ATOM 1919 N LYS A 128 -15.197 14.876 -4.646 1.00 0.60 N ATOM 1920 CA LYS A 128 -14.762 16.211 -5.164 1.00 0.70 C ATOM 1921 C LYS A 128 -14.029 16.997 -4.084 1.00 0.61 C ATOM 1922 O LYS A 128 -14.335 18.149 -3.850 1.00 0.60 O ATOM 1923 CB LYS A 128 -15.956 17.035 -5.673 1.00 0.87 C ATOM 1924 CG LYS A 128 -16.835 16.185 -6.591 1.00 1.12 C ATOM 1925 CD LYS A 128 -17.912 17.080 -7.210 1.00 1.43 C ATOM 1926 CE LYS A 128 -18.761 16.269 -8.190 1.00 1.83 C ATOM 1927 NZ LYS A 128 -19.700 17.182 -8.901 1.00 2.47 N ATOM 0 H LYS A 128 -14.729 14.075 -5.069 1.00 0.60 H new ATOM 0 HA LYS A 128 -14.086 16.027 -5.999 1.00 0.70 H new ATOM 0 HB2 LYS A 128 -16.543 17.397 -4.829 1.00 0.87 H new ATOM 0 HB3 LYS A 128 -15.598 17.912 -6.211 1.00 0.87 H new ATOM 0 HG2 LYS A 128 -16.231 15.726 -7.373 1.00 1.12 H new ATOM 0 HG3 LYS A 128 -17.296 15.374 -6.027 1.00 1.12 H new ATOM 0 HD2 LYS A 128 -18.544 17.498 -6.427 1.00 1.43 H new ATOM 0 HD3 LYS A 128 -17.447 17.920 -7.726 1.00 1.43 H new ATOM 0 HE2 LYS A 128 -18.120 15.758 -8.908 1.00 1.83 H new ATOM 0 HE3 LYS A 128 -19.318 15.500 -7.656 1.00 1.83 H new ATOM 0 HZ1 LYS A 128 -20.279 16.633 -9.568 1.00 2.47 H new ATOM 0 HZ2 LYS A 128 -20.319 17.650 -8.209 1.00 2.47 H new ATOM 0 HZ3 LYS A 128 -19.158 17.900 -9.422 1.00 2.47 H new ATOM 1941 N VAL A 129 -13.021 16.422 -3.456 1.00 0.60 N ATOM 1942 CA VAL A 129 -12.228 17.180 -2.441 1.00 0.53 C ATOM 1943 C VAL A 129 -10.750 16.810 -2.664 1.00 0.53 C ATOM 1944 O VAL A 129 -10.199 16.037 -1.906 1.00 0.56 O ATOM 1945 CB VAL A 129 -12.648 16.753 -1.040 1.00 0.57 C ATOM 1946 CG1 VAL A 129 -11.967 17.647 -0.006 1.00 1.40 C ATOM 1947 CG2 VAL A 129 -14.165 16.863 -0.910 1.00 1.22 C ATOM 0 H VAL A 129 -12.719 15.460 -3.607 1.00 0.60 H new ATOM 0 HA VAL A 129 -12.388 18.254 -2.541 1.00 0.53 H new ATOM 0 HB VAL A 129 -12.348 15.720 -0.867 1.00 0.57 H new ATOM 0 HG11 VAL A 129 -12.269 17.340 0.995 1.00 1.40 H new ATOM 0 HG12 VAL A 129 -10.885 17.556 -0.103 1.00 1.40 H new ATOM 0 HG13 VAL A 129 -12.261 18.684 -0.172 1.00 1.40 H new ATOM 0 HG21 VAL A 129 -14.467 16.558 0.092 1.00 1.22 H new ATOM 0 HG22 VAL A 129 -14.471 17.895 -1.083 1.00 1.22 H new ATOM 0 HG23 VAL A 129 -14.641 16.215 -1.646 1.00 1.22 H new ATOM 1957 N PRO A 130 -10.157 17.322 -3.728 1.00 0.62 N ATOM 1958 CA PRO A 130 -8.763 16.983 -4.069 1.00 0.73 C ATOM 1959 C PRO A 130 -7.794 17.379 -2.945 1.00 0.65 C ATOM 1960 O PRO A 130 -6.708 16.827 -2.840 1.00 0.64 O ATOM 1961 CB PRO A 130 -8.462 17.764 -5.375 1.00 1.00 C ATOM 1962 CG PRO A 130 -9.750 18.553 -5.753 1.00 1.00 C ATOM 1963 CD PRO A 130 -10.809 18.269 -4.660 1.00 0.75 C ATOM 0 HA PRO A 130 -8.632 15.909 -4.200 1.00 0.73 H new ATOM 0 HB2 PRO A 130 -7.623 18.445 -5.230 1.00 1.00 H new ATOM 0 HB3 PRO A 130 -8.182 17.079 -6.176 1.00 1.00 H new ATOM 0 HG2 PRO A 130 -9.541 19.621 -5.815 1.00 1.00 H new ATOM 0 HG3 PRO A 130 -10.116 18.242 -6.731 1.00 1.00 H new ATOM 0 HD2 PRO A 130 -11.103 19.186 -4.149 1.00 0.75 H new ATOM 0 HD3 PRO A 130 -11.714 17.839 -5.090 1.00 0.75 H new ATOM 1971 N GLU A 131 -8.126 18.346 -2.121 1.00 0.73 N ATOM 1972 CA GLU A 131 -7.135 18.741 -1.076 1.00 0.82 C ATOM 1973 C GLU A 131 -7.012 17.578 -0.084 1.00 0.72 C ATOM 1974 O GLU A 131 -6.038 17.441 0.634 1.00 0.73 O ATOM 1975 CB GLU A 131 -7.593 20.037 -0.388 1.00 1.09 C ATOM 1976 CG GLU A 131 -6.402 20.819 0.160 1.00 1.55 C ATOM 1977 CD GLU A 131 -5.660 19.969 1.190 1.00 2.17 C ATOM 1978 OE1 GLU A 131 -6.119 19.907 2.320 1.00 2.86 O ATOM 1979 OE2 GLU A 131 -4.647 19.394 0.832 1.00 2.52 O ATOM 0 H GLU A 131 -9.007 18.861 -2.125 1.00 0.73 H new ATOM 0 HA GLU A 131 -6.157 18.940 -1.514 1.00 0.82 H new ATOM 0 HB2 GLU A 131 -8.142 20.655 -1.098 1.00 1.09 H new ATOM 0 HB3 GLU A 131 -8.280 19.798 0.424 1.00 1.09 H new ATOM 0 HG2 GLU A 131 -5.729 21.093 -0.653 1.00 1.55 H new ATOM 0 HG3 GLU A 131 -6.743 21.747 0.618 1.00 1.55 H new ATOM 1986 N LEU A 132 -7.996 16.721 -0.078 1.00 0.71 N ATOM 1987 CA LEU A 132 -7.978 15.538 0.815 1.00 0.69 C ATOM 1988 C LEU A 132 -7.214 14.400 0.123 1.00 0.58 C ATOM 1989 O LEU A 132 -6.595 13.583 0.775 1.00 0.59 O ATOM 1990 CB LEU A 132 -9.417 15.117 1.142 1.00 0.80 C ATOM 1991 CG LEU A 132 -9.430 14.103 2.296 1.00 0.60 C ATOM 1992 CD1 LEU A 132 -9.248 14.813 3.648 1.00 1.11 C ATOM 1993 CD2 LEU A 132 -10.773 13.363 2.307 1.00 0.77 C ATOM 0 H LEU A 132 -8.825 16.796 -0.667 1.00 0.71 H new ATOM 0 HA LEU A 132 -7.474 15.780 1.751 1.00 0.69 H new ATOM 0 HB2 LEU A 132 -10.006 15.993 1.413 1.00 0.80 H new ATOM 0 HB3 LEU A 132 -9.884 14.679 0.260 1.00 0.80 H new ATOM 0 HG LEU A 132 -8.609 13.402 2.148 1.00 0.60 H new ATOM 0 HD11 LEU A 132 -9.260 14.076 4.451 1.00 1.11 H new ATOM 0 HD12 LEU A 132 -8.295 15.342 3.656 1.00 1.11 H new ATOM 0 HD13 LEU A 132 -10.060 15.525 3.797 1.00 1.11 H new ATOM 0 HD21 LEU A 132 -10.785 12.643 3.125 1.00 0.77 H new ATOM 0 HD22 LEU A 132 -11.582 14.080 2.443 1.00 0.77 H new ATOM 0 HD23 LEU A 132 -10.908 12.839 1.361 1.00 0.77 H new ATOM 2005 N ILE A 133 -7.223 14.343 -1.180 1.00 0.52 N ATOM 2006 CA ILE A 133 -6.460 13.266 -1.877 1.00 0.46 C ATOM 2007 C ILE A 133 -5.012 13.301 -1.377 1.00 0.43 C ATOM 2008 O ILE A 133 -4.456 12.302 -0.965 1.00 0.46 O ATOM 2009 CB ILE A 133 -6.495 13.521 -3.392 1.00 0.45 C ATOM 2010 CG1 ILE A 133 -7.905 13.201 -3.915 1.00 0.42 C ATOM 2011 CG2 ILE A 133 -5.466 12.622 -4.094 1.00 0.49 C ATOM 2012 CD1 ILE A 133 -8.036 13.583 -5.397 1.00 1.19 C ATOM 0 H ILE A 133 -7.722 14.990 -1.790 1.00 0.52 H new ATOM 0 HA ILE A 133 -6.900 12.291 -1.671 1.00 0.46 H new ATOM 0 HB ILE A 133 -6.251 14.563 -3.597 1.00 0.45 H new ATOM 0 HG12 ILE A 133 -8.112 12.138 -3.789 1.00 0.42 H new ATOM 0 HG13 ILE A 133 -8.647 13.742 -3.328 1.00 0.42 H new ATOM 0 HG21 ILE A 133 -5.494 12.806 -5.168 1.00 0.49 H new ATOM 0 HG22 ILE A 133 -4.469 12.845 -3.714 1.00 0.49 H new ATOM 0 HG23 ILE A 133 -5.703 11.576 -3.899 1.00 0.49 H new ATOM 0 HD11 ILE A 133 -9.042 13.348 -5.746 1.00 1.19 H new ATOM 0 HD12 ILE A 133 -7.851 14.651 -5.515 1.00 1.19 H new ATOM 0 HD13 ILE A 133 -7.308 13.022 -5.983 1.00 1.19 H new ATOM 2024 N ARG A 134 -4.410 14.459 -1.396 1.00 0.42 N ATOM 2025 CA ARG A 134 -3.003 14.597 -0.907 1.00 0.43 C ATOM 2026 C ARG A 134 -2.933 14.298 0.598 1.00 0.40 C ATOM 2027 O ARG A 134 -2.031 13.627 1.059 1.00 0.39 O ATOM 2028 CB ARG A 134 -2.519 16.028 -1.162 1.00 0.51 C ATOM 2029 CG ARG A 134 -1.035 16.143 -0.787 1.00 1.26 C ATOM 2030 CD ARG A 134 -0.524 17.571 -1.065 1.00 1.57 C ATOM 2031 NE ARG A 134 0.906 17.523 -1.512 1.00 2.30 N ATOM 2032 CZ ARG A 134 1.798 16.815 -0.868 1.00 2.86 C ATOM 2033 NH1 ARG A 134 1.501 16.245 0.267 1.00 2.98 N ATOM 2034 NH2 ARG A 134 3.012 16.719 -1.338 1.00 3.71 N ATOM 0 H ARG A 134 -4.834 15.324 -1.732 1.00 0.42 H new ATOM 0 HA ARG A 134 -2.369 13.888 -1.440 1.00 0.43 H new ATOM 0 HB2 ARG A 134 -2.661 16.289 -2.211 1.00 0.51 H new ATOM 0 HB3 ARG A 134 -3.109 16.732 -0.575 1.00 0.51 H new ATOM 0 HG2 ARG A 134 -0.899 15.899 0.267 1.00 1.26 H new ATOM 0 HG3 ARG A 134 -0.451 15.422 -1.359 1.00 1.26 H new ATOM 0 HD2 ARG A 134 -1.138 18.044 -1.832 1.00 1.57 H new ATOM 0 HD3 ARG A 134 -0.613 18.180 -0.165 1.00 1.57 H new ATOM 0 HE ARG A 134 1.190 18.054 -2.336 1.00 2.30 H new ATOM 0 HH11 ARG A 134 0.566 16.349 0.661 1.00 2.98 H new ATOM 0 HH12 ARG A 134 2.204 15.695 0.761 1.00 2.98 H new ATOM 0 HH21 ARG A 134 3.263 17.195 -2.205 1.00 3.71 H new ATOM 0 HH22 ARG A 134 3.710 16.168 -0.839 1.00 3.71 H new ATOM 2048 N THR A 135 -3.859 14.795 1.371 1.00 0.41 N ATOM 2049 CA THR A 135 -3.803 14.533 2.842 1.00 0.41 C ATOM 2050 C THR A 135 -3.798 13.027 3.126 1.00 0.39 C ATOM 2051 O THR A 135 -3.152 12.554 4.042 1.00 0.52 O ATOM 2052 CB THR A 135 -5.006 15.168 3.539 1.00 0.42 C ATOM 2053 OG1 THR A 135 -4.954 16.576 3.361 1.00 0.89 O ATOM 2054 CG2 THR A 135 -4.961 14.843 5.034 1.00 0.88 C ATOM 0 H THR A 135 -4.644 15.365 1.056 1.00 0.41 H new ATOM 0 HA THR A 135 -2.882 14.972 3.226 1.00 0.41 H new ATOM 0 HB THR A 135 -5.928 14.775 3.111 1.00 0.42 H new ATOM 0 HG1 THR A 135 -5.293 16.806 2.471 1.00 0.89 H new ATOM 0 HG21 THR A 135 -5.819 15.296 5.531 1.00 0.88 H new ATOM 0 HG22 THR A 135 -4.990 13.762 5.172 1.00 0.88 H new ATOM 0 HG23 THR A 135 -4.041 15.239 5.465 1.00 0.88 H new ATOM 2062 N ILE A 136 -4.492 12.271 2.314 1.00 0.35 N ATOM 2063 CA ILE A 136 -4.534 10.790 2.479 1.00 0.36 C ATOM 2064 C ILE A 136 -3.193 10.190 2.058 1.00 0.35 C ATOM 2065 O ILE A 136 -2.706 9.264 2.676 1.00 0.51 O ATOM 2066 CB ILE A 136 -5.647 10.224 1.586 1.00 0.46 C ATOM 2067 CG1 ILE A 136 -7.011 10.673 2.124 1.00 0.60 C ATOM 2068 CG2 ILE A 136 -5.586 8.692 1.575 1.00 0.94 C ATOM 2069 CD1 ILE A 136 -8.082 10.480 1.047 1.00 0.64 C ATOM 0 H ILE A 136 -5.040 12.626 1.530 1.00 0.35 H new ATOM 0 HA ILE A 136 -4.729 10.540 3.522 1.00 0.36 H new ATOM 0 HB ILE A 136 -5.510 10.595 0.570 1.00 0.46 H new ATOM 0 HG12 ILE A 136 -7.269 10.098 3.013 1.00 0.60 H new ATOM 0 HG13 ILE A 136 -6.967 11.720 2.423 1.00 0.60 H new ATOM 0 HG21 ILE A 136 -6.380 8.301 0.939 1.00 0.94 H new ATOM 0 HG22 ILE A 136 -4.619 8.369 1.189 1.00 0.94 H new ATOM 0 HG23 ILE A 136 -5.716 8.315 2.590 1.00 0.94 H new ATOM 0 HD11 ILE A 136 -9.049 10.800 1.434 1.00 0.64 H new ATOM 0 HD12 ILE A 136 -7.827 11.075 0.170 1.00 0.64 H new ATOM 0 HD13 ILE A 136 -8.133 9.427 0.769 1.00 0.64 H new ATOM 2081 N MET A 137 -2.569 10.710 1.041 1.00 0.35 N ATOM 2082 CA MET A 137 -1.252 10.141 0.647 1.00 0.33 C ATOM 2083 C MET A 137 -0.260 10.471 1.763 1.00 0.31 C ATOM 2084 O MET A 137 0.730 9.802 1.974 1.00 0.34 O ATOM 2085 CB MET A 137 -0.796 10.737 -0.701 1.00 0.36 C ATOM 2086 CG MET A 137 -0.007 9.693 -1.505 1.00 0.67 C ATOM 2087 SD MET A 137 1.100 10.533 -2.668 1.00 1.13 S ATOM 2088 CE MET A 137 0.110 10.289 -4.163 1.00 0.67 C ATOM 0 H MET A 137 -2.905 11.489 0.475 1.00 0.35 H new ATOM 0 HA MET A 137 -1.317 9.061 0.514 1.00 0.33 H new ATOM 0 HB2 MET A 137 -1.663 11.067 -1.273 1.00 0.36 H new ATOM 0 HB3 MET A 137 -0.176 11.616 -0.527 1.00 0.36 H new ATOM 0 HG2 MET A 137 0.570 9.060 -0.831 1.00 0.67 H new ATOM 0 HG3 MET A 137 -0.693 9.041 -2.046 1.00 0.67 H new ATOM 0 HE1 MET A 137 0.620 10.739 -5.015 1.00 0.67 H new ATOM 0 HE2 MET A 137 -0.022 9.222 -4.342 1.00 0.67 H new ATOM 0 HE3 MET A 137 -0.865 10.759 -4.034 1.00 0.67 H new ATOM 2098 N GLY A 138 -0.575 11.503 2.491 1.00 0.31 N ATOM 2099 CA GLY A 138 0.260 11.946 3.642 1.00 0.33 C ATOM 2100 C GLY A 138 0.271 10.841 4.697 1.00 0.33 C ATOM 2101 O GLY A 138 1.291 10.524 5.273 1.00 0.34 O ATOM 0 H GLY A 138 -1.403 12.076 2.331 1.00 0.31 H new ATOM 0 HA2 GLY A 138 1.276 12.161 3.310 1.00 0.33 H new ATOM 0 HA3 GLY A 138 -0.139 12.868 4.065 1.00 0.33 H new ATOM 2105 N TRP A 139 -0.863 10.250 4.945 1.00 0.34 N ATOM 2106 CA TRP A 139 -0.930 9.153 5.954 1.00 0.37 C ATOM 2107 C TRP A 139 -0.241 7.889 5.419 1.00 0.35 C ATOM 2108 O TRP A 139 0.187 7.043 6.181 1.00 0.39 O ATOM 2109 CB TRP A 139 -2.387 8.840 6.307 1.00 0.43 C ATOM 2110 CG TRP A 139 -3.118 10.101 6.656 1.00 0.46 C ATOM 2111 CD1 TRP A 139 -2.542 11.277 7.007 1.00 0.54 C ATOM 2112 CD2 TRP A 139 -4.557 10.326 6.696 1.00 0.53 C ATOM 2113 NE1 TRP A 139 -3.537 12.205 7.257 1.00 0.57 N ATOM 2114 CE2 TRP A 139 -4.795 11.667 7.079 1.00 0.56 C ATOM 2115 CE3 TRP A 139 -5.668 9.503 6.438 1.00 0.67 C ATOM 2116 CZ2 TRP A 139 -6.090 12.173 7.202 1.00 0.66 C ATOM 2117 CZ3 TRP A 139 -6.972 10.009 6.561 1.00 0.81 C ATOM 2118 CH2 TRP A 139 -7.182 11.341 6.942 1.00 0.78 C ATOM 0 H TRP A 139 -1.749 10.478 4.493 1.00 0.34 H new ATOM 0 HA TRP A 139 -0.411 9.484 6.854 1.00 0.37 H new ATOM 0 HB2 TRP A 139 -2.875 8.349 5.465 1.00 0.43 H new ATOM 0 HB3 TRP A 139 -2.424 8.145 7.146 1.00 0.43 H new ATOM 0 HD1 TRP A 139 -1.480 11.460 7.080 1.00 0.54 H new ATOM 0 HE1 TRP A 139 -3.362 13.170 7.539 1.00 0.57 H new ATOM 0 HE3 TRP A 139 -5.517 8.475 6.143 1.00 0.67 H new ATOM 0 HZ2 TRP A 139 -6.247 13.200 7.496 1.00 0.66 H new ATOM 0 HZ3 TRP A 139 -7.818 9.368 6.361 1.00 0.81 H new ATOM 0 HH2 TRP A 139 -8.187 11.724 7.035 1.00 0.78 H new ATOM 2129 N THR A 140 -0.123 7.743 4.122 1.00 0.34 N ATOM 2130 CA THR A 140 0.547 6.524 3.575 1.00 0.36 C ATOM 2131 C THR A 140 2.065 6.716 3.647 1.00 0.34 C ATOM 2132 O THR A 140 2.777 5.916 4.219 1.00 0.39 O ATOM 2133 CB THR A 140 0.111 6.302 2.123 1.00 0.38 C ATOM 2134 OG1 THR A 140 0.256 7.511 1.393 1.00 1.20 O ATOM 2135 CG2 THR A 140 -1.354 5.862 2.094 1.00 1.17 C ATOM 0 H THR A 140 -0.458 8.408 3.425 1.00 0.34 H new ATOM 0 HA THR A 140 0.264 5.650 4.162 1.00 0.36 H new ATOM 0 HB THR A 140 0.733 5.529 1.671 1.00 0.38 H new ATOM 0 HG1 THR A 140 0.419 8.251 2.015 1.00 1.20 H new ATOM 0 HG21 THR A 140 -1.666 5.704 1.062 1.00 1.17 H new ATOM 0 HG22 THR A 140 -1.466 4.933 2.654 1.00 1.17 H new ATOM 0 HG23 THR A 140 -1.975 6.635 2.546 1.00 1.17 H new ATOM 2143 N LEU A 141 2.558 7.788 3.091 1.00 0.33 N ATOM 2144 CA LEU A 141 4.023 8.062 3.148 1.00 0.34 C ATOM 2145 C LEU A 141 4.441 8.208 4.616 1.00 0.33 C ATOM 2146 O LEU A 141 5.567 7.927 4.978 1.00 0.33 O ATOM 2147 CB LEU A 141 4.346 9.353 2.373 1.00 0.35 C ATOM 2148 CG LEU A 141 4.361 9.123 0.843 1.00 0.41 C ATOM 2149 CD1 LEU A 141 5.717 8.558 0.400 1.00 0.99 C ATOM 2150 CD2 LEU A 141 3.244 8.162 0.414 1.00 0.80 C ATOM 0 H LEU A 141 2.007 8.490 2.597 1.00 0.33 H new ATOM 0 HA LEU A 141 4.572 7.239 2.691 1.00 0.34 H new ATOM 0 HB2 LEU A 141 3.608 10.117 2.617 1.00 0.35 H new ATOM 0 HB3 LEU A 141 5.316 9.734 2.692 1.00 0.35 H new ATOM 0 HG LEU A 141 4.194 10.087 0.363 1.00 0.41 H new ATOM 0 HD11 LEU A 141 5.711 8.402 -0.679 1.00 0.99 H new ATOM 0 HD12 LEU A 141 6.507 9.262 0.660 1.00 0.99 H new ATOM 0 HD13 LEU A 141 5.897 7.608 0.903 1.00 0.99 H new ATOM 0 HD21 LEU A 141 3.281 8.021 -0.666 1.00 0.80 H new ATOM 0 HD22 LEU A 141 3.380 7.201 0.911 1.00 0.80 H new ATOM 0 HD23 LEU A 141 2.277 8.581 0.692 1.00 0.80 H new ATOM 2162 N ASP A 142 3.550 8.637 5.463 1.00 0.36 N ATOM 2163 CA ASP A 142 3.903 8.787 6.905 1.00 0.37 C ATOM 2164 C ASP A 142 4.022 7.401 7.551 1.00 0.37 C ATOM 2165 O ASP A 142 4.870 7.159 8.388 1.00 0.42 O ATOM 2166 CB ASP A 142 2.799 9.572 7.616 1.00 0.37 C ATOM 2167 CG ASP A 142 3.172 9.747 9.089 1.00 0.78 C ATOM 2168 OD1 ASP A 142 4.328 10.036 9.356 1.00 1.59 O ATOM 2169 OD2 ASP A 142 2.298 9.590 9.925 1.00 1.32 O ATOM 0 H ASP A 142 2.592 8.891 5.222 1.00 0.36 H new ATOM 0 HA ASP A 142 4.852 9.316 6.992 1.00 0.37 H new ATOM 0 HB2 ASP A 142 2.668 10.546 7.144 1.00 0.37 H new ATOM 0 HB3 ASP A 142 1.849 9.045 7.530 1.00 0.37 H new ATOM 2174 N PHE A 143 3.158 6.498 7.171 1.00 0.41 N ATOM 2175 CA PHE A 143 3.176 5.121 7.750 1.00 0.43 C ATOM 2176 C PHE A 143 4.265 4.269 7.087 1.00 0.43 C ATOM 2177 O PHE A 143 4.934 3.500 7.747 1.00 0.45 O ATOM 2178 CB PHE A 143 1.808 4.472 7.515 1.00 0.44 C ATOM 2179 CG PHE A 143 1.706 3.184 8.295 1.00 0.47 C ATOM 2180 CD1 PHE A 143 1.271 3.203 9.626 1.00 1.16 C ATOM 2181 CD2 PHE A 143 2.040 1.968 7.686 1.00 1.29 C ATOM 2182 CE1 PHE A 143 1.169 2.008 10.347 1.00 1.22 C ATOM 2183 CE2 PHE A 143 1.939 0.773 8.407 1.00 1.35 C ATOM 2184 CZ PHE A 143 1.503 0.792 9.738 1.00 0.72 C ATOM 0 H PHE A 143 2.430 6.657 6.474 1.00 0.41 H new ATOM 0 HA PHE A 143 3.389 5.184 8.817 1.00 0.43 H new ATOM 0 HB2 PHE A 143 1.015 5.155 7.820 1.00 0.44 H new ATOM 0 HB3 PHE A 143 1.668 4.275 6.452 1.00 0.44 H new ATOM 0 HD1 PHE A 143 1.014 4.141 10.096 1.00 1.16 H new ATOM 0 HD2 PHE A 143 2.376 1.953 6.660 1.00 1.29 H new ATOM 0 HE1 PHE A 143 0.833 2.024 11.373 1.00 1.22 H new ATOM 0 HE2 PHE A 143 2.197 -0.164 7.937 1.00 1.35 H new ATOM 0 HZ PHE A 143 1.424 -0.130 10.294 1.00 0.72 H new ATOM 2194 N LEU A 144 4.455 4.378 5.803 1.00 0.45 N ATOM 2195 CA LEU A 144 5.510 3.546 5.150 1.00 0.47 C ATOM 2196 C LEU A 144 6.883 4.022 5.662 1.00 0.47 C ATOM 2197 O LEU A 144 7.722 3.225 6.034 1.00 0.49 O ATOM 2198 CB LEU A 144 5.334 3.650 3.605 1.00 0.49 C ATOM 2199 CG LEU A 144 6.662 3.901 2.833 1.00 0.64 C ATOM 2200 CD1 LEU A 144 7.502 2.611 2.733 1.00 1.31 C ATOM 2201 CD2 LEU A 144 6.321 4.396 1.420 1.00 1.01 C ATOM 0 H LEU A 144 3.935 4.998 5.182 1.00 0.45 H new ATOM 0 HA LEU A 144 5.428 2.489 5.402 1.00 0.47 H new ATOM 0 HB2 LEU A 144 4.881 2.729 3.238 1.00 0.49 H new ATOM 0 HB3 LEU A 144 4.638 4.459 3.382 1.00 0.49 H new ATOM 0 HG LEU A 144 7.247 4.646 3.372 1.00 0.64 H new ATOM 0 HD11 LEU A 144 8.423 2.818 2.189 1.00 1.31 H new ATOM 0 HD12 LEU A 144 7.744 2.256 3.735 1.00 1.31 H new ATOM 0 HD13 LEU A 144 6.933 1.846 2.205 1.00 1.31 H new ATOM 0 HD21 LEU A 144 7.242 4.577 0.866 1.00 1.01 H new ATOM 0 HD22 LEU A 144 5.728 3.641 0.903 1.00 1.01 H new ATOM 0 HD23 LEU A 144 5.750 5.322 1.487 1.00 1.01 H new ATOM 2213 N ARG A 145 7.119 5.300 5.687 1.00 0.47 N ATOM 2214 CA ARG A 145 8.436 5.807 6.181 1.00 0.48 C ATOM 2215 C ARG A 145 8.620 5.496 7.678 1.00 0.49 C ATOM 2216 O ARG A 145 9.727 5.284 8.135 1.00 0.50 O ATOM 2217 CB ARG A 145 8.549 7.318 5.916 1.00 0.49 C ATOM 2218 CG ARG A 145 7.800 8.124 6.979 1.00 0.69 C ATOM 2219 CD ARG A 145 7.747 9.590 6.548 1.00 0.68 C ATOM 2220 NE ARG A 145 7.192 10.415 7.655 1.00 1.56 N ATOM 2221 CZ ARG A 145 7.352 11.709 7.646 1.00 2.10 C ATOM 2222 NH1 ARG A 145 8.020 12.279 6.680 1.00 2.12 N ATOM 2223 NH2 ARG A 145 6.849 12.434 8.607 1.00 3.16 N ATOM 0 H ARG A 145 6.461 6.020 5.388 1.00 0.47 H new ATOM 0 HA ARG A 145 9.232 5.297 5.638 1.00 0.48 H new ATOM 0 HB2 ARG A 145 9.599 7.611 5.907 1.00 0.49 H new ATOM 0 HB3 ARG A 145 8.145 7.548 4.930 1.00 0.49 H new ATOM 0 HG2 ARG A 145 6.791 7.732 7.106 1.00 0.69 H new ATOM 0 HG3 ARG A 145 8.301 8.033 7.943 1.00 0.69 H new ATOM 0 HD2 ARG A 145 8.746 9.939 6.286 1.00 0.68 H new ATOM 0 HD3 ARG A 145 7.129 9.696 5.657 1.00 0.68 H new ATOM 0 HE ARG A 145 6.687 9.969 8.420 1.00 1.56 H new ATOM 0 HH11 ARG A 145 8.417 11.712 5.931 1.00 2.12 H new ATOM 0 HH12 ARG A 145 8.144 13.291 6.674 1.00 2.12 H new ATOM 0 HH21 ARG A 145 6.331 11.988 9.364 1.00 3.16 H new ATOM 0 HH22 ARG A 145 6.974 13.446 8.601 1.00 3.16 H new ATOM 2237 N GLU A 146 7.571 5.500 8.456 1.00 0.49 N ATOM 2238 CA GLU A 146 7.737 5.236 9.925 1.00 0.51 C ATOM 2239 C GLU A 146 7.762 3.729 10.231 1.00 0.53 C ATOM 2240 O GLU A 146 8.530 3.294 11.066 1.00 0.55 O ATOM 2241 CB GLU A 146 6.592 5.894 10.699 1.00 0.52 C ATOM 2242 CG GLU A 146 6.760 7.414 10.678 1.00 0.96 C ATOM 2243 CD GLU A 146 5.575 8.068 11.393 1.00 1.48 C ATOM 2244 OE1 GLU A 146 4.512 7.470 11.403 1.00 2.22 O ATOM 2245 OE2 GLU A 146 5.752 9.155 11.918 1.00 2.03 O ATOM 0 H GLU A 146 6.614 5.672 8.148 1.00 0.49 H new ATOM 0 HA GLU A 146 8.692 5.660 10.235 1.00 0.51 H new ATOM 0 HB2 GLU A 146 5.635 5.618 10.256 1.00 0.52 H new ATOM 0 HB3 GLU A 146 6.582 5.534 11.728 1.00 0.52 H new ATOM 0 HG2 GLU A 146 7.693 7.694 11.167 1.00 0.96 H new ATOM 0 HG3 GLU A 146 6.819 7.770 9.649 1.00 0.96 H new ATOM 2252 N ARG A 147 6.933 2.928 9.610 1.00 0.59 N ATOM 2253 CA ARG A 147 6.931 1.456 9.937 1.00 0.62 C ATOM 2254 C ARG A 147 7.721 0.659 8.891 1.00 0.58 C ATOM 2255 O ARG A 147 8.510 -0.208 9.211 1.00 0.62 O ATOM 2256 CB ARG A 147 5.482 0.964 9.956 1.00 0.63 C ATOM 2257 CG ARG A 147 4.746 1.543 11.184 1.00 0.73 C ATOM 2258 CD ARG A 147 4.901 0.603 12.385 1.00 1.11 C ATOM 2259 NE ARG A 147 4.083 -0.621 12.156 1.00 1.75 N ATOM 2260 CZ ARG A 147 4.270 -1.682 12.893 1.00 2.40 C ATOM 2261 NH1 ARG A 147 5.172 -1.672 13.836 1.00 2.71 N ATOM 2262 NH2 ARG A 147 3.553 -2.752 12.686 1.00 3.30 N ATOM 0 H ARG A 147 6.263 3.218 8.898 1.00 0.59 H new ATOM 0 HA ARG A 147 7.403 1.308 10.908 1.00 0.62 H new ATOM 0 HB2 ARG A 147 4.974 1.267 9.040 1.00 0.63 H new ATOM 0 HB3 ARG A 147 5.459 -0.125 9.988 1.00 0.63 H new ATOM 0 HG2 ARG A 147 5.148 2.526 11.428 1.00 0.73 H new ATOM 0 HG3 ARG A 147 3.689 1.679 10.953 1.00 0.73 H new ATOM 0 HD2 ARG A 147 5.949 0.335 12.520 1.00 1.11 H new ATOM 0 HD3 ARG A 147 4.580 1.104 13.298 1.00 1.11 H new ATOM 0 HE ARG A 147 3.375 -0.630 11.422 1.00 1.75 H new ATOM 0 HH11 ARG A 147 5.732 -0.835 13.998 1.00 2.71 H new ATOM 0 HH12 ARG A 147 5.317 -2.502 14.411 1.00 2.71 H new ATOM 0 HH21 ARG A 147 2.848 -2.759 11.949 1.00 3.30 H new ATOM 0 HH22 ARG A 147 3.698 -3.582 13.261 1.00 3.30 H new ATOM 2276 N LEU A 148 7.486 0.938 7.643 1.00 0.53 N ATOM 2277 CA LEU A 148 8.178 0.204 6.545 1.00 0.57 C ATOM 2278 C LEU A 148 9.440 0.955 6.099 1.00 0.67 C ATOM 2279 O LEU A 148 10.076 1.645 6.870 1.00 1.61 O ATOM 2280 CB LEU A 148 7.212 0.102 5.363 1.00 0.59 C ATOM 2281 CG LEU A 148 5.844 -0.397 5.842 1.00 0.70 C ATOM 2282 CD1 LEU A 148 4.948 -0.655 4.627 1.00 1.29 C ATOM 2283 CD2 LEU A 148 6.008 -1.697 6.641 1.00 1.34 C ATOM 0 H LEU A 148 6.833 1.656 7.329 1.00 0.53 H new ATOM 0 HA LEU A 148 8.473 -0.784 6.898 1.00 0.57 H new ATOM 0 HB2 LEU A 148 7.106 1.076 4.885 1.00 0.59 H new ATOM 0 HB3 LEU A 148 7.614 -0.579 4.613 1.00 0.59 H new ATOM 0 HG LEU A 148 5.390 0.359 6.483 1.00 0.70 H new ATOM 0 HD11 LEU A 148 3.974 -1.010 4.962 1.00 1.29 H new ATOM 0 HD12 LEU A 148 4.823 0.270 4.064 1.00 1.29 H new ATOM 0 HD13 LEU A 148 5.409 -1.409 3.989 1.00 1.29 H new ATOM 0 HD21 LEU A 148 5.031 -2.043 6.977 1.00 1.34 H new ATOM 0 HD22 LEU A 148 6.465 -2.458 6.008 1.00 1.34 H new ATOM 0 HD23 LEU A 148 6.645 -1.514 7.506 1.00 1.34 H new ATOM 2295 N LEU A 149 9.800 0.817 4.848 1.00 0.67 N ATOM 2296 CA LEU A 149 11.014 1.507 4.316 1.00 0.57 C ATOM 2297 C LEU A 149 12.274 0.792 4.819 1.00 0.56 C ATOM 2298 O LEU A 149 12.993 0.180 4.055 1.00 0.58 O ATOM 2299 CB LEU A 149 11.013 2.987 4.756 1.00 0.54 C ATOM 2300 CG LEU A 149 11.708 3.869 3.697 1.00 0.59 C ATOM 2301 CD1 LEU A 149 11.500 5.351 4.030 1.00 0.83 C ATOM 2302 CD2 LEU A 149 13.207 3.555 3.676 1.00 1.21 C ATOM 0 H LEU A 149 9.298 0.249 4.165 1.00 0.67 H new ATOM 0 HA LEU A 149 11.004 1.473 3.227 1.00 0.57 H new ATOM 0 HB2 LEU A 149 9.988 3.327 4.905 1.00 0.54 H new ATOM 0 HB3 LEU A 149 11.524 3.088 5.713 1.00 0.54 H new ATOM 0 HG LEU A 149 11.276 3.660 2.718 1.00 0.59 H new ATOM 0 HD11 LEU A 149 11.994 5.966 3.277 1.00 0.83 H new ATOM 0 HD12 LEU A 149 10.433 5.576 4.039 1.00 0.83 H new ATOM 0 HD13 LEU A 149 11.925 5.567 5.010 1.00 0.83 H new ATOM 0 HD21 LEU A 149 13.699 4.177 2.928 1.00 1.21 H new ATOM 0 HD22 LEU A 149 13.635 3.760 4.657 1.00 1.21 H new ATOM 0 HD23 LEU A 149 13.355 2.504 3.427 1.00 1.21 H new ATOM 2314 N GLY A 150 12.550 0.860 6.097 1.00 0.56 N ATOM 2315 CA GLY A 150 13.764 0.175 6.627 1.00 0.58 C ATOM 2316 C GLY A 150 13.785 -1.273 6.134 1.00 0.62 C ATOM 2317 O GLY A 150 14.675 -1.687 5.418 1.00 0.70 O ATOM 0 H GLY A 150 11.991 1.357 6.790 1.00 0.56 H new ATOM 0 HA2 GLY A 150 14.663 0.696 6.297 1.00 0.58 H new ATOM 0 HA3 GLY A 150 13.763 0.200 7.717 1.00 0.58 H new ATOM 2321 N TRP A 151 12.818 -2.051 6.542 1.00 0.63 N ATOM 2322 CA TRP A 151 12.776 -3.483 6.133 1.00 0.69 C ATOM 2323 C TRP A 151 12.866 -3.605 4.611 1.00 0.70 C ATOM 2324 O TRP A 151 13.380 -4.575 4.091 1.00 0.72 O ATOM 2325 CB TRP A 151 11.468 -4.114 6.628 1.00 0.73 C ATOM 2326 CG TRP A 151 11.560 -4.370 8.101 1.00 1.25 C ATOM 2327 CD1 TRP A 151 11.892 -5.556 8.662 1.00 2.17 C ATOM 2328 CD2 TRP A 151 11.328 -3.446 9.204 1.00 1.86 C ATOM 2329 NE1 TRP A 151 11.879 -5.418 10.039 1.00 2.65 N ATOM 2330 CE2 TRP A 151 11.537 -4.136 10.422 1.00 2.43 C ATOM 2331 CE3 TRP A 151 10.960 -2.089 9.266 1.00 2.68 C ATOM 2332 CZ2 TRP A 151 11.387 -3.504 11.657 1.00 3.17 C ATOM 2333 CZ3 TRP A 151 10.808 -1.450 10.508 1.00 3.62 C ATOM 2334 CH2 TRP A 151 11.021 -2.156 11.701 1.00 3.67 C ATOM 0 H TRP A 151 12.051 -1.753 7.145 1.00 0.63 H new ATOM 0 HA TRP A 151 13.625 -4.005 6.574 1.00 0.69 H new ATOM 0 HB2 TRP A 151 10.629 -3.451 6.416 1.00 0.73 H new ATOM 0 HB3 TRP A 151 11.279 -5.047 6.097 1.00 0.73 H new ATOM 0 HD1 TRP A 151 12.128 -6.462 8.123 1.00 2.17 H new ATOM 0 HE1 TRP A 151 12.096 -6.171 10.692 1.00 2.65 H new ATOM 0 HE3 TRP A 151 10.793 -1.536 8.354 1.00 2.68 H new ATOM 0 HZ2 TRP A 151 11.553 -4.053 12.572 1.00 3.17 H new ATOM 0 HZ3 TRP A 151 10.525 -0.408 10.544 1.00 3.62 H new ATOM 0 HH2 TRP A 151 10.902 -1.659 12.652 1.00 3.67 H new ATOM 2345 N ILE A 152 12.375 -2.639 3.886 1.00 0.73 N ATOM 2346 CA ILE A 152 12.449 -2.731 2.402 1.00 0.76 C ATOM 2347 C ILE A 152 13.918 -2.703 1.978 1.00 0.79 C ATOM 2348 O ILE A 152 14.368 -3.512 1.190 1.00 0.89 O ATOM 2349 CB ILE A 152 11.694 -1.555 1.777 1.00 0.78 C ATOM 2350 CG1 ILE A 152 10.287 -1.489 2.385 1.00 0.83 C ATOM 2351 CG2 ILE A 152 11.589 -1.759 0.263 1.00 0.92 C ATOM 2352 CD1 ILE A 152 9.446 -0.416 1.679 1.00 0.94 C ATOM 0 H ILE A 152 11.930 -1.798 4.252 1.00 0.73 H new ATOM 0 HA ILE A 152 11.992 -3.660 2.061 1.00 0.76 H new ATOM 0 HB ILE A 152 12.227 -0.626 1.976 1.00 0.78 H new ATOM 0 HG12 ILE A 152 9.799 -2.460 2.294 1.00 0.83 H new ATOM 0 HG13 ILE A 152 10.355 -1.264 3.449 1.00 0.83 H new ATOM 0 HG21 ILE A 152 11.051 -0.921 -0.181 1.00 0.92 H new ATOM 0 HG22 ILE A 152 12.589 -1.817 -0.167 1.00 0.92 H new ATOM 0 HG23 ILE A 152 11.052 -2.685 0.057 1.00 0.92 H new ATOM 0 HD11 ILE A 152 8.451 -0.383 2.123 1.00 0.94 H new ATOM 0 HD12 ILE A 152 9.926 0.556 1.792 1.00 0.94 H new ATOM 0 HD13 ILE A 152 9.363 -0.658 0.619 1.00 0.94 H new ATOM 2364 N GLN A 153 14.666 -1.767 2.490 1.00 0.77 N ATOM 2365 CA GLN A 153 16.104 -1.683 2.110 1.00 0.80 C ATOM 2366 C GLN A 153 16.783 -3.038 2.367 1.00 0.81 C ATOM 2367 O GLN A 153 17.611 -3.478 1.593 1.00 0.82 O ATOM 2368 CB GLN A 153 16.820 -0.572 2.916 1.00 0.82 C ATOM 2369 CG GLN A 153 18.011 0.027 2.123 1.00 1.09 C ATOM 2370 CD GLN A 153 18.659 -1.032 1.217 1.00 1.98 C ATOM 2371 OE1 GLN A 153 18.351 -1.118 0.045 1.00 2.66 O ATOM 2372 NE2 GLN A 153 19.548 -1.844 1.719 1.00 2.77 N ATOM 0 H GLN A 153 14.347 -1.060 3.152 1.00 0.77 H new ATOM 0 HA GLN A 153 16.173 -1.436 1.051 1.00 0.80 H new ATOM 0 HB2 GLN A 153 16.109 0.218 3.159 1.00 0.82 H new ATOM 0 HB3 GLN A 153 17.179 -0.980 3.861 1.00 0.82 H new ATOM 0 HG2 GLN A 153 17.665 0.865 1.518 1.00 1.09 H new ATOM 0 HG3 GLN A 153 18.754 0.420 2.817 1.00 1.09 H new ATOM 0 HE21 GLN A 153 19.807 -1.772 2.703 1.00 2.77 H new ATOM 0 HE22 GLN A 153 19.985 -2.551 1.127 1.00 2.77 H new ATOM 2381 N ASP A 154 16.458 -3.697 3.448 1.00 0.83 N ATOM 2382 CA ASP A 154 17.112 -5.008 3.733 1.00 0.86 C ATOM 2383 C ASP A 154 17.007 -5.903 2.496 1.00 0.85 C ATOM 2384 O ASP A 154 17.981 -6.460 2.030 1.00 0.94 O ATOM 2385 CB ASP A 154 16.419 -5.684 4.920 1.00 0.90 C ATOM 2386 CG ASP A 154 16.514 -4.782 6.151 1.00 1.28 C ATOM 2387 OD1 ASP A 154 16.702 -3.590 5.975 1.00 1.99 O ATOM 2388 OD2 ASP A 154 16.396 -5.299 7.250 1.00 1.84 O ATOM 0 H ASP A 154 15.775 -3.388 4.140 1.00 0.83 H new ATOM 0 HA ASP A 154 18.162 -4.846 3.978 1.00 0.86 H new ATOM 0 HB2 ASP A 154 15.374 -5.880 4.680 1.00 0.90 H new ATOM 0 HB3 ASP A 154 16.885 -6.647 5.126 1.00 0.90 H new ATOM 2393 N GLN A 155 15.825 -6.037 1.960 1.00 0.79 N ATOM 2394 CA GLN A 155 15.638 -6.885 0.750 1.00 0.79 C ATOM 2395 C GLN A 155 16.567 -6.404 -0.365 1.00 0.72 C ATOM 2396 O GLN A 155 17.177 -7.186 -1.067 1.00 1.03 O ATOM 2397 CB GLN A 155 14.188 -6.777 0.272 1.00 0.90 C ATOM 2398 CG GLN A 155 13.254 -7.377 1.325 1.00 1.37 C ATOM 2399 CD GLN A 155 13.437 -8.895 1.367 1.00 2.01 C ATOM 2400 OE1 GLN A 155 13.643 -9.523 0.347 1.00 2.72 O ATOM 2401 NE2 GLN A 155 13.370 -9.516 2.513 1.00 2.54 N ATOM 0 H GLN A 155 14.976 -5.593 2.311 1.00 0.79 H new ATOM 0 HA GLN A 155 15.870 -7.921 0.999 1.00 0.79 H new ATOM 0 HB2 GLN A 155 13.930 -5.733 0.095 1.00 0.90 H new ATOM 0 HB3 GLN A 155 14.067 -7.301 -0.676 1.00 0.90 H new ATOM 0 HG2 GLN A 155 13.469 -6.947 2.303 1.00 1.37 H new ATOM 0 HG3 GLN A 155 12.218 -7.132 1.089 1.00 1.37 H new ATOM 0 HE21 GLN A 155 13.197 -8.989 3.369 1.00 2.54 H new ATOM 0 HE22 GLN A 155 13.491 -10.528 2.552 1.00 2.54 H new ATOM 2410 N GLY A 156 16.666 -5.111 -0.533 1.00 0.63 N ATOM 2411 CA GLY A 156 17.540 -4.543 -1.604 1.00 0.72 C ATOM 2412 C GLY A 156 16.824 -3.348 -2.234 1.00 0.87 C ATOM 2413 O GLY A 156 17.383 -2.284 -2.407 1.00 1.38 O ATOM 0 H GLY A 156 16.174 -4.418 0.031 1.00 0.63 H new ATOM 0 HA2 GLY A 156 18.498 -4.233 -1.186 1.00 0.72 H new ATOM 0 HA3 GLY A 156 17.752 -5.299 -2.360 1.00 0.72 H new ATOM 2417 N GLY A 157 15.579 -3.536 -2.581 1.00 0.81 N ATOM 2418 CA GLY A 157 14.784 -2.443 -3.211 1.00 1.10 C ATOM 2419 C GLY A 157 13.419 -3.008 -3.607 1.00 0.84 C ATOM 2420 O GLY A 157 13.123 -4.162 -3.371 1.00 0.88 O ATOM 0 H GLY A 157 15.073 -4.412 -2.453 1.00 0.81 H new ATOM 0 HA2 GLY A 157 14.664 -1.612 -2.516 1.00 1.10 H new ATOM 0 HA3 GLY A 157 15.302 -2.053 -4.087 1.00 1.10 H new ATOM 2424 N TRP A 158 12.580 -2.203 -4.201 1.00 0.67 N ATOM 2425 CA TRP A 158 11.233 -2.699 -4.601 1.00 0.50 C ATOM 2426 C TRP A 158 11.381 -3.939 -5.485 1.00 0.51 C ATOM 2427 O TRP A 158 10.403 -4.565 -5.846 1.00 0.53 O ATOM 2428 CB TRP A 158 10.481 -1.610 -5.371 1.00 0.51 C ATOM 2429 CG TRP A 158 10.127 -0.488 -4.447 1.00 0.46 C ATOM 2430 CD1 TRP A 158 10.776 0.697 -4.385 1.00 0.59 C ATOM 2431 CD2 TRP A 158 9.054 -0.419 -3.461 1.00 0.46 C ATOM 2432 NE1 TRP A 158 10.172 1.489 -3.425 1.00 0.55 N ATOM 2433 CE2 TRP A 158 9.107 0.846 -2.828 1.00 0.47 C ATOM 2434 CE3 TRP A 158 8.049 -1.320 -3.056 1.00 0.65 C ATOM 2435 CZ2 TRP A 158 8.198 1.205 -1.832 1.00 0.58 C ATOM 2436 CZ3 TRP A 158 7.134 -0.961 -2.054 1.00 0.84 C ATOM 2437 CH2 TRP A 158 7.208 0.298 -1.443 1.00 0.78 C ATOM 0 H TRP A 158 12.769 -1.226 -4.426 1.00 0.67 H new ATOM 0 HA TRP A 158 10.670 -2.957 -3.704 1.00 0.50 H new ATOM 0 HB2 TRP A 158 11.098 -1.238 -6.189 1.00 0.51 H new ATOM 0 HB3 TRP A 158 9.577 -2.025 -5.817 1.00 0.51 H new ATOM 0 HD1 TRP A 158 11.627 0.979 -4.987 1.00 0.59 H new ATOM 0 HE1 TRP A 158 10.477 2.433 -3.187 1.00 0.55 H new ATOM 0 HE3 TRP A 158 7.982 -2.293 -3.520 1.00 0.65 H new ATOM 0 HZ2 TRP A 158 8.259 2.177 -1.365 1.00 0.58 H new ATOM 0 HZ3 TRP A 158 6.368 -1.660 -1.752 1.00 0.84 H new ATOM 0 HH2 TRP A 158 6.501 0.567 -0.672 1.00 0.78 H new ATOM 2448 N ASP A 159 12.581 -4.305 -5.851 1.00 0.50 N ATOM 2449 CA ASP A 159 12.744 -5.504 -6.720 1.00 0.51 C ATOM 2450 C ASP A 159 12.138 -6.720 -6.019 1.00 0.51 C ATOM 2451 O ASP A 159 11.563 -7.585 -6.649 1.00 0.51 O ATOM 2452 CB ASP A 159 14.230 -5.747 -6.988 1.00 0.54 C ATOM 2453 CG ASP A 159 14.799 -4.591 -7.813 1.00 1.66 C ATOM 2454 OD1 ASP A 159 14.574 -3.452 -7.436 1.00 2.37 O ATOM 2455 OD2 ASP A 159 15.452 -4.864 -8.807 1.00 2.46 O ATOM 0 H ASP A 159 13.445 -3.831 -5.589 1.00 0.50 H new ATOM 0 HA ASP A 159 12.234 -5.340 -7.669 1.00 0.51 H new ATOM 0 HB2 ASP A 159 14.770 -5.835 -6.045 1.00 0.54 H new ATOM 0 HB3 ASP A 159 14.364 -6.688 -7.521 1.00 0.54 H new ATOM 2460 N GLY A 160 12.241 -6.786 -4.719 1.00 0.52 N ATOM 2461 CA GLY A 160 11.645 -7.942 -3.990 1.00 0.54 C ATOM 2462 C GLY A 160 10.138 -7.925 -4.228 1.00 0.53 C ATOM 2463 O GLY A 160 9.483 -8.948 -4.239 1.00 0.54 O ATOM 0 H GLY A 160 12.709 -6.094 -4.133 1.00 0.52 H new ATOM 0 HA2 GLY A 160 12.076 -8.879 -4.344 1.00 0.54 H new ATOM 0 HA3 GLY A 160 11.863 -7.874 -2.924 1.00 0.54 H new ATOM 2467 N LEU A 161 9.591 -6.759 -4.437 1.00 0.54 N ATOM 2468 CA LEU A 161 8.131 -6.643 -4.697 1.00 0.56 C ATOM 2469 C LEU A 161 7.793 -7.427 -5.970 1.00 0.56 C ATOM 2470 O LEU A 161 6.916 -8.268 -5.988 1.00 0.62 O ATOM 2471 CB LEU A 161 7.790 -5.150 -4.886 1.00 0.58 C ATOM 2472 CG LEU A 161 6.308 -4.872 -4.551 1.00 0.74 C ATOM 2473 CD1 LEU A 161 5.410 -5.749 -5.428 1.00 1.63 C ATOM 2474 CD2 LEU A 161 6.020 -5.151 -3.055 1.00 1.56 C ATOM 0 H LEU A 161 10.099 -5.875 -4.438 1.00 0.54 H new ATOM 0 HA LEU A 161 7.554 -7.047 -3.865 1.00 0.56 H new ATOM 0 HB2 LEU A 161 8.431 -4.543 -4.246 1.00 0.58 H new ATOM 0 HB3 LEU A 161 7.995 -4.854 -5.915 1.00 0.58 H new ATOM 0 HG LEU A 161 6.097 -3.821 -4.750 1.00 0.74 H new ATOM 0 HD11 LEU A 161 4.365 -5.552 -5.190 1.00 1.63 H new ATOM 0 HD12 LEU A 161 5.593 -5.521 -6.478 1.00 1.63 H new ATOM 0 HD13 LEU A 161 5.633 -6.799 -5.241 1.00 1.63 H new ATOM 0 HD21 LEU A 161 4.970 -4.948 -2.843 1.00 1.56 H new ATOM 0 HD22 LEU A 161 6.241 -6.195 -2.830 1.00 1.56 H new ATOM 0 HD23 LEU A 161 6.646 -4.507 -2.438 1.00 1.56 H new ATOM 2486 N LEU A 162 8.486 -7.137 -7.040 1.00 0.53 N ATOM 2487 CA LEU A 162 8.219 -7.834 -8.331 1.00 0.56 C ATOM 2488 C LEU A 162 8.865 -9.222 -8.321 1.00 0.55 C ATOM 2489 O LEU A 162 8.324 -10.160 -8.871 1.00 0.57 O ATOM 2490 CB LEU A 162 8.796 -6.984 -9.477 1.00 0.61 C ATOM 2491 CG LEU A 162 8.773 -7.754 -10.805 1.00 0.80 C ATOM 2492 CD1 LEU A 162 7.338 -8.162 -11.147 1.00 1.56 C ATOM 2493 CD2 LEU A 162 9.323 -6.852 -11.914 1.00 1.33 C ATOM 0 H LEU A 162 9.231 -6.441 -7.074 1.00 0.53 H new ATOM 0 HA LEU A 162 7.145 -7.958 -8.471 1.00 0.56 H new ATOM 0 HB2 LEU A 162 8.220 -6.064 -9.577 1.00 0.61 H new ATOM 0 HB3 LEU A 162 9.820 -6.695 -9.239 1.00 0.61 H new ATOM 0 HG LEU A 162 9.386 -8.651 -10.715 1.00 0.80 H new ATOM 0 HD11 LEU A 162 7.330 -8.708 -12.090 1.00 1.56 H new ATOM 0 HD12 LEU A 162 6.942 -8.799 -10.356 1.00 1.56 H new ATOM 0 HD13 LEU A 162 6.718 -7.270 -11.239 1.00 1.56 H new ATOM 0 HD21 LEU A 162 9.310 -7.391 -12.861 1.00 1.33 H new ATOM 0 HD22 LEU A 162 8.704 -5.959 -11.997 1.00 1.33 H new ATOM 0 HD23 LEU A 162 10.346 -6.564 -11.674 1.00 1.33 H new ATOM 2505 N SER A 163 10.009 -9.375 -7.715 1.00 0.54 N ATOM 2506 CA SER A 163 10.647 -10.721 -7.708 1.00 0.56 C ATOM 2507 C SER A 163 9.803 -11.668 -6.854 1.00 0.53 C ATOM 2508 O SER A 163 9.807 -12.868 -7.046 1.00 0.60 O ATOM 2509 CB SER A 163 12.062 -10.624 -7.136 1.00 0.63 C ATOM 2510 OG SER A 163 12.011 -10.791 -5.726 1.00 1.32 O ATOM 0 H SER A 163 10.524 -8.639 -7.231 1.00 0.54 H new ATOM 0 HA SER A 163 10.707 -11.103 -8.727 1.00 0.56 H new ATOM 0 HB2 SER A 163 12.700 -11.388 -7.581 1.00 0.63 H new ATOM 0 HB3 SER A 163 12.501 -9.658 -7.384 1.00 0.63 H new ATOM 0 HG SER A 163 12.917 -10.731 -5.356 1.00 1.32 H new ATOM 2516 N TYR A 164 9.073 -11.133 -5.914 1.00 0.59 N ATOM 2517 CA TYR A 164 8.221 -11.993 -5.047 1.00 0.64 C ATOM 2518 C TYR A 164 7.020 -12.483 -5.857 1.00 0.63 C ATOM 2519 O TYR A 164 6.685 -13.651 -5.838 1.00 0.68 O ATOM 2520 CB TYR A 164 7.733 -11.175 -3.846 1.00 0.69 C ATOM 2521 CG TYR A 164 6.736 -11.985 -3.045 1.00 0.72 C ATOM 2522 CD1 TYR A 164 7.149 -13.154 -2.395 1.00 1.34 C ATOM 2523 CD2 TYR A 164 5.400 -11.568 -2.950 1.00 1.50 C ATOM 2524 CE1 TYR A 164 6.230 -13.906 -1.652 1.00 1.35 C ATOM 2525 CE2 TYR A 164 4.482 -12.319 -2.206 1.00 1.57 C ATOM 2526 CZ TYR A 164 4.897 -13.488 -1.557 1.00 0.87 C ATOM 2527 OH TYR A 164 3.992 -14.230 -0.825 1.00 0.97 O ATOM 0 H TYR A 164 9.030 -10.135 -5.709 1.00 0.59 H new ATOM 0 HA TYR A 164 8.796 -12.848 -4.692 1.00 0.64 H new ATOM 0 HB2 TYR A 164 8.578 -10.896 -3.217 1.00 0.69 H new ATOM 0 HB3 TYR A 164 7.271 -10.249 -4.189 1.00 0.69 H new ATOM 0 HD1 TYR A 164 8.177 -13.476 -2.466 1.00 1.34 H new ATOM 0 HD2 TYR A 164 5.079 -10.667 -3.451 1.00 1.50 H new ATOM 0 HE1 TYR A 164 6.550 -14.808 -1.152 1.00 1.35 H new ATOM 0 HE2 TYR A 164 3.454 -11.997 -2.133 1.00 1.57 H new ATOM 0 HH TYR A 164 3.112 -13.800 -0.861 1.00 0.97 H new ATOM 2537 N PHE A 165 6.365 -11.606 -6.568 1.00 0.64 N ATOM 2538 CA PHE A 165 5.190 -12.046 -7.368 1.00 0.72 C ATOM 2539 C PHE A 165 5.659 -12.893 -8.556 1.00 0.82 C ATOM 2540 O PHE A 165 5.578 -12.480 -9.696 1.00 1.56 O ATOM 2541 CB PHE A 165 4.406 -10.829 -7.884 1.00 0.74 C ATOM 2542 CG PHE A 165 3.571 -10.225 -6.768 1.00 0.84 C ATOM 2543 CD1 PHE A 165 2.600 -10.998 -6.106 1.00 1.42 C ATOM 2544 CD2 PHE A 165 3.765 -8.885 -6.392 1.00 1.65 C ATOM 2545 CE1 PHE A 165 1.836 -10.434 -5.080 1.00 1.71 C ATOM 2546 CE2 PHE A 165 2.993 -8.326 -5.365 1.00 1.96 C ATOM 2547 CZ PHE A 165 2.031 -9.101 -4.710 1.00 1.66 C ATOM 0 H PHE A 165 6.591 -10.613 -6.629 1.00 0.64 H new ATOM 0 HA PHE A 165 4.538 -12.642 -6.729 1.00 0.72 H new ATOM 0 HB2 PHE A 165 5.097 -10.082 -8.275 1.00 0.74 H new ATOM 0 HB3 PHE A 165 3.760 -11.128 -8.709 1.00 0.74 H new ATOM 0 HD1 PHE A 165 2.445 -12.028 -6.391 1.00 1.42 H new ATOM 0 HD2 PHE A 165 4.510 -8.286 -6.895 1.00 1.65 H new ATOM 0 HE1 PHE A 165 1.093 -11.031 -4.572 1.00 1.71 H new ATOM 0 HE2 PHE A 165 3.141 -7.295 -5.079 1.00 1.96 H new ATOM 0 HZ PHE A 165 1.438 -8.669 -3.917 1.00 1.66 H new ATOM 2557 N GLY A 166 6.156 -14.071 -8.295 1.00 0.94 N ATOM 2558 CA GLY A 166 6.638 -14.949 -9.402 1.00 1.01 C ATOM 2559 C GLY A 166 6.434 -16.410 -9.006 1.00 1.23 C ATOM 2560 O GLY A 166 6.715 -17.316 -9.766 1.00 1.85 O ATOM 0 H GLY A 166 6.250 -14.466 -7.359 1.00 0.94 H new ATOM 0 HA2 GLY A 166 6.094 -14.729 -10.321 1.00 1.01 H new ATOM 0 HA3 GLY A 166 7.692 -14.757 -9.602 1.00 1.01 H new ATOM 2606 N TRP A 170 -1.282 -18.624 -8.808 1.00 1.04 N ATOM 2607 CA TRP A 170 -1.591 -17.165 -8.725 1.00 1.01 C ATOM 2608 C TRP A 170 -2.941 -16.972 -8.027 1.00 0.92 C ATOM 2609 O TRP A 170 -3.106 -16.097 -7.196 1.00 0.95 O ATOM 2610 CB TRP A 170 -1.660 -16.580 -10.137 1.00 1.32 C ATOM 2611 CG TRP A 170 -0.448 -16.995 -10.908 1.00 1.70 C ATOM 2612 CD1 TRP A 170 0.751 -16.370 -10.866 1.00 2.30 C ATOM 2613 CD2 TRP A 170 -0.296 -18.111 -11.833 1.00 2.52 C ATOM 2614 NE1 TRP A 170 1.629 -17.031 -11.706 1.00 3.04 N ATOM 2615 CE2 TRP A 170 1.031 -18.111 -12.324 1.00 3.15 C ATOM 2616 CE3 TRP A 170 -1.171 -19.113 -12.288 1.00 3.32 C ATOM 2617 CZ2 TRP A 170 1.474 -19.071 -13.235 1.00 4.11 C ATOM 2618 CZ3 TRP A 170 -0.729 -20.081 -13.205 1.00 4.37 C ATOM 2619 CH2 TRP A 170 0.591 -20.060 -13.677 1.00 4.64 C ATOM 0 HA TRP A 170 -0.811 -16.657 -8.158 1.00 1.01 H new ATOM 0 HB2 TRP A 170 -2.562 -16.926 -10.642 1.00 1.32 H new ATOM 0 HB3 TRP A 170 -1.719 -15.493 -10.089 1.00 1.32 H new ATOM 0 HD1 TRP A 170 0.985 -15.498 -10.274 1.00 2.30 H new ATOM 0 HE1 TRP A 170 2.600 -16.754 -11.851 1.00 3.04 H new ATOM 0 HE3 TRP A 170 -2.190 -19.139 -11.930 1.00 3.32 H new ATOM 0 HZ2 TRP A 170 2.492 -19.050 -13.596 1.00 4.11 H new ATOM 0 HZ3 TRP A 170 -1.410 -20.846 -13.548 1.00 4.37 H new ATOM 0 HH2 TRP A 170 0.925 -20.807 -14.381 1.00 4.64 H new ATOM 2630 N GLN A 171 -3.910 -17.783 -8.356 1.00 0.88 N ATOM 2631 CA GLN A 171 -5.245 -17.646 -7.708 1.00 0.84 C ATOM 2632 C GLN A 171 -5.075 -17.727 -6.191 1.00 0.75 C ATOM 2633 O GLN A 171 -5.891 -17.219 -5.452 1.00 0.75 O ATOM 2634 CB GLN A 171 -6.168 -18.769 -8.186 1.00 0.88 C ATOM 2635 CG GLN A 171 -7.560 -18.584 -7.582 1.00 1.57 C ATOM 2636 CD GLN A 171 -8.504 -19.651 -8.141 1.00 1.93 C ATOM 2637 OE1 GLN A 171 -8.027 -20.822 -8.465 1.00 2.66 O flip ATOM 2638 NE2 GLN A 171 -9.687 -19.416 -8.287 1.00 2.34 N flip ATOM 0 H GLN A 171 -3.835 -18.533 -9.044 1.00 0.88 H new ATOM 0 HA GLN A 171 -5.686 -16.686 -7.976 1.00 0.84 H new ATOM 0 HB2 GLN A 171 -6.230 -18.764 -9.274 1.00 0.88 H new ATOM 0 HB3 GLN A 171 -5.760 -19.737 -7.894 1.00 0.88 H new ATOM 0 HG2 GLN A 171 -7.510 -18.660 -6.496 1.00 1.57 H new ATOM 0 HG3 GLN A 171 -7.940 -17.589 -7.814 1.00 1.57 H new ATOM 0 HE21 GLN A 171 -10.060 -18.501 -8.034 1.00 2.34 H new ATOM 0 HE22 GLN A 171 -10.307 -20.134 -8.663 1.00 2.34 H new ATOM 2647 N THR A 172 -4.015 -18.321 -5.714 1.00 0.67 N ATOM 2648 CA THR A 172 -3.810 -18.370 -4.239 1.00 0.60 C ATOM 2649 C THR A 172 -3.615 -16.924 -3.762 1.00 0.59 C ATOM 2650 O THR A 172 -4.219 -16.505 -2.795 1.00 0.74 O ATOM 2651 CB THR A 172 -2.587 -19.242 -3.919 1.00 0.59 C ATOM 2652 OG1 THR A 172 -2.978 -20.608 -3.977 1.00 0.81 O ATOM 2653 CG2 THR A 172 -2.054 -18.933 -2.515 1.00 0.92 C ATOM 0 H THR A 172 -3.290 -18.769 -6.274 1.00 0.67 H new ATOM 0 HA THR A 172 -4.664 -18.813 -3.727 1.00 0.60 H new ATOM 0 HB THR A 172 -1.800 -19.034 -4.644 1.00 0.59 H new ATOM 0 HG1 THR A 172 -2.206 -21.178 -3.776 1.00 0.81 H new ATOM 0 HG21 THR A 172 -1.188 -19.561 -2.308 1.00 0.92 H new ATOM 0 HG22 THR A 172 -1.763 -17.884 -2.459 1.00 0.92 H new ATOM 0 HG23 THR A 172 -2.832 -19.133 -1.778 1.00 0.92 H new ATOM 2661 N VAL A 173 -2.769 -16.159 -4.405 1.00 0.59 N ATOM 2662 CA VAL A 173 -2.537 -14.750 -3.972 1.00 0.58 C ATOM 2663 C VAL A 173 -3.861 -13.980 -3.904 1.00 0.57 C ATOM 2664 O VAL A 173 -4.055 -13.159 -3.031 1.00 0.60 O ATOM 2665 CB VAL A 173 -1.613 -14.094 -5.006 1.00 0.64 C ATOM 2666 CG1 VAL A 173 -1.473 -12.595 -4.735 1.00 1.13 C ATOM 2667 CG2 VAL A 173 -0.232 -14.751 -4.941 1.00 1.01 C ATOM 0 H VAL A 173 -2.226 -16.454 -5.217 1.00 0.59 H new ATOM 0 HA VAL A 173 -2.087 -14.734 -2.979 1.00 0.58 H new ATOM 0 HB VAL A 173 -2.047 -14.230 -5.997 1.00 0.64 H new ATOM 0 HG11 VAL A 173 -0.813 -12.151 -5.480 1.00 1.13 H new ATOM 0 HG12 VAL A 173 -2.454 -12.122 -4.790 1.00 1.13 H new ATOM 0 HG13 VAL A 173 -1.052 -12.443 -3.741 1.00 1.13 H new ATOM 0 HG21 VAL A 173 0.427 -14.287 -5.675 1.00 1.01 H new ATOM 0 HG22 VAL A 173 0.187 -14.620 -3.943 1.00 1.01 H new ATOM 0 HG23 VAL A 173 -0.325 -15.815 -5.159 1.00 1.01 H new ATOM 2677 N THR A 174 -4.764 -14.214 -4.811 1.00 0.55 N ATOM 2678 CA THR A 174 -6.055 -13.462 -4.775 1.00 0.56 C ATOM 2679 C THR A 174 -6.837 -13.817 -3.500 1.00 0.53 C ATOM 2680 O THR A 174 -7.410 -12.954 -2.861 1.00 0.55 O ATOM 2681 CB THR A 174 -6.886 -13.826 -6.010 1.00 0.59 C ATOM 2682 OG1 THR A 174 -7.182 -15.215 -5.987 1.00 1.37 O ATOM 2683 CG2 THR A 174 -6.095 -13.492 -7.275 1.00 1.27 C ATOM 0 H THR A 174 -4.670 -14.887 -5.572 1.00 0.55 H new ATOM 0 HA THR A 174 -5.849 -12.392 -4.774 1.00 0.56 H new ATOM 0 HB THR A 174 -7.815 -13.256 -6.004 1.00 0.59 H new ATOM 0 HG1 THR A 174 -6.435 -15.702 -5.580 1.00 1.37 H new ATOM 0 HG21 THR A 174 -6.687 -13.751 -8.153 1.00 1.27 H new ATOM 0 HG22 THR A 174 -5.869 -12.426 -7.292 1.00 1.27 H new ATOM 0 HG23 THR A 174 -5.165 -14.061 -7.283 1.00 1.27 H new ATOM 2691 N ILE A 175 -6.870 -15.064 -3.112 1.00 0.51 N ATOM 2692 CA ILE A 175 -7.626 -15.434 -1.872 1.00 0.50 C ATOM 2693 C ILE A 175 -6.767 -15.138 -0.638 1.00 0.49 C ATOM 2694 O ILE A 175 -7.265 -14.997 0.461 1.00 0.49 O ATOM 2695 CB ILE A 175 -7.966 -16.922 -1.908 1.00 0.52 C ATOM 2696 CG1 ILE A 175 -6.707 -17.715 -2.210 1.00 0.77 C ATOM 2697 CG2 ILE A 175 -9.003 -17.185 -3.000 1.00 0.87 C ATOM 2698 CD1 ILE A 175 -7.014 -19.213 -2.126 1.00 0.89 C ATOM 0 H ILE A 175 -6.412 -15.839 -3.592 1.00 0.51 H new ATOM 0 HA ILE A 175 -8.545 -14.851 -1.822 1.00 0.50 H new ATOM 0 HB ILE A 175 -8.371 -17.226 -0.943 1.00 0.52 H new ATOM 0 HG12 ILE A 175 -6.336 -17.464 -3.204 1.00 0.77 H new ATOM 0 HG13 ILE A 175 -5.921 -17.454 -1.501 1.00 0.77 H new ATOM 0 HG21 ILE A 175 -9.244 -18.248 -3.024 1.00 0.87 H new ATOM 0 HG22 ILE A 175 -9.906 -16.612 -2.789 1.00 0.87 H new ATOM 0 HG23 ILE A 175 -8.599 -16.883 -3.966 1.00 0.87 H new ATOM 0 HD11 ILE A 175 -6.110 -19.782 -2.343 1.00 0.89 H new ATOM 0 HD12 ILE A 175 -7.365 -19.457 -1.123 1.00 0.89 H new ATOM 0 HD13 ILE A 175 -7.786 -19.467 -2.852 1.00 0.89 H new ATOM 2710 N PHE A 176 -5.483 -15.012 -0.826 1.00 0.48 N ATOM 2711 CA PHE A 176 -4.574 -14.688 0.311 1.00 0.49 C ATOM 2712 C PHE A 176 -4.836 -13.249 0.757 1.00 0.49 C ATOM 2713 O PHE A 176 -5.227 -12.991 1.878 1.00 0.56 O ATOM 2714 CB PHE A 176 -3.123 -14.781 -0.191 1.00 0.51 C ATOM 2715 CG PHE A 176 -2.187 -14.782 1.004 1.00 0.51 C ATOM 2716 CD1 PHE A 176 -2.206 -15.857 1.907 1.00 1.41 C ATOM 2717 CD2 PHE A 176 -1.317 -13.707 1.218 1.00 1.23 C ATOM 2718 CE1 PHE A 176 -1.355 -15.854 3.018 1.00 1.52 C ATOM 2719 CE2 PHE A 176 -0.467 -13.705 2.332 1.00 1.22 C ATOM 2720 CZ PHE A 176 -0.487 -14.778 3.232 1.00 0.76 C ATOM 0 H PHE A 176 -5.019 -15.121 -1.728 1.00 0.48 H new ATOM 0 HA PHE A 176 -4.743 -15.377 1.139 1.00 0.49 H new ATOM 0 HB2 PHE A 176 -2.985 -15.689 -0.778 1.00 0.51 H new ATOM 0 HB3 PHE A 176 -2.896 -13.940 -0.846 1.00 0.51 H new ATOM 0 HD1 PHE A 176 -2.878 -16.687 1.744 1.00 1.41 H new ATOM 0 HD2 PHE A 176 -1.301 -12.879 0.525 1.00 1.23 H new ATOM 0 HE1 PHE A 176 -1.368 -16.683 3.710 1.00 1.52 H new ATOM 0 HE2 PHE A 176 0.204 -12.875 2.497 1.00 1.22 H new ATOM 0 HZ PHE A 176 0.168 -14.775 4.091 1.00 0.76 H new ATOM 2730 N VAL A 177 -4.592 -12.310 -0.114 1.00 0.46 N ATOM 2731 CA VAL A 177 -4.789 -10.873 0.232 1.00 0.48 C ATOM 2732 C VAL A 177 -6.269 -10.592 0.513 1.00 0.44 C ATOM 2733 O VAL A 177 -6.604 -9.617 1.156 1.00 0.57 O ATOM 2734 CB VAL A 177 -4.309 -10.029 -0.956 1.00 0.56 C ATOM 2735 CG1 VAL A 177 -4.715 -8.565 -0.777 1.00 1.20 C ATOM 2736 CG2 VAL A 177 -2.785 -10.123 -1.057 1.00 1.24 C ATOM 0 H VAL A 177 -4.260 -12.479 -1.064 1.00 0.46 H new ATOM 0 HA VAL A 177 -4.222 -10.622 1.128 1.00 0.48 H new ATOM 0 HB VAL A 177 -4.770 -10.410 -1.867 1.00 0.56 H new ATOM 0 HG11 VAL A 177 -4.365 -7.984 -1.630 1.00 1.20 H new ATOM 0 HG12 VAL A 177 -5.801 -8.494 -0.710 1.00 1.20 H new ATOM 0 HG13 VAL A 177 -4.269 -8.173 0.137 1.00 1.20 H new ATOM 0 HG21 VAL A 177 -2.439 -9.525 -1.900 1.00 1.24 H new ATOM 0 HG22 VAL A 177 -2.336 -9.748 -0.137 1.00 1.24 H new ATOM 0 HG23 VAL A 177 -2.494 -11.163 -1.206 1.00 1.24 H new ATOM 2746 N ALA A 178 -7.159 -11.429 0.057 1.00 0.45 N ATOM 2747 CA ALA A 178 -8.607 -11.182 0.329 1.00 0.43 C ATOM 2748 C ALA A 178 -8.971 -11.701 1.727 1.00 0.40 C ATOM 2749 O ALA A 178 -9.650 -11.037 2.486 1.00 0.40 O ATOM 2750 CB ALA A 178 -9.455 -11.910 -0.714 1.00 0.46 C ATOM 0 H ALA A 178 -6.952 -12.266 -0.487 1.00 0.45 H new ATOM 0 HA ALA A 178 -8.801 -10.111 0.278 1.00 0.43 H new ATOM 0 HB1 ALA A 178 -10.511 -11.729 -0.515 1.00 0.46 H new ATOM 0 HB2 ALA A 178 -9.205 -11.540 -1.709 1.00 0.46 H new ATOM 0 HB3 ALA A 178 -9.254 -12.980 -0.664 1.00 0.46 H new ATOM 2756 N GLY A 179 -8.545 -12.886 2.068 1.00 0.41 N ATOM 2757 CA GLY A 179 -8.889 -13.448 3.409 1.00 0.43 C ATOM 2758 C GLY A 179 -8.254 -12.612 4.525 1.00 0.43 C ATOM 2759 O GLY A 179 -8.728 -12.596 5.644 1.00 0.48 O ATOM 0 H GLY A 179 -7.974 -13.491 1.478 1.00 0.41 H new ATOM 0 HA2 GLY A 179 -9.972 -13.468 3.534 1.00 0.43 H new ATOM 0 HA3 GLY A 179 -8.541 -14.479 3.477 1.00 0.43 H new ATOM 2763 N VAL A 180 -7.171 -11.941 4.244 1.00 0.42 N ATOM 2764 CA VAL A 180 -6.493 -11.136 5.304 1.00 0.45 C ATOM 2765 C VAL A 180 -7.135 -9.753 5.451 1.00 0.45 C ATOM 2766 O VAL A 180 -7.424 -9.301 6.545 1.00 0.43 O ATOM 2767 CB VAL A 180 -5.009 -10.974 4.958 1.00 0.49 C ATOM 2768 CG1 VAL A 180 -4.328 -10.075 5.993 1.00 1.31 C ATOM 2769 CG2 VAL A 180 -4.333 -12.346 4.954 1.00 1.41 C ATOM 0 H VAL A 180 -6.725 -11.914 3.327 1.00 0.42 H new ATOM 0 HA VAL A 180 -6.601 -11.666 6.251 1.00 0.45 H new ATOM 0 HB VAL A 180 -4.920 -10.518 3.972 1.00 0.49 H new ATOM 0 HG11 VAL A 180 -3.273 -9.964 5.741 1.00 1.31 H new ATOM 0 HG12 VAL A 180 -4.806 -9.095 5.994 1.00 1.31 H new ATOM 0 HG13 VAL A 180 -4.419 -10.525 6.982 1.00 1.31 H new ATOM 0 HG21 VAL A 180 -3.277 -12.231 4.708 1.00 1.41 H new ATOM 0 HG22 VAL A 180 -4.428 -12.801 5.940 1.00 1.41 H new ATOM 0 HG23 VAL A 180 -4.811 -12.985 4.212 1.00 1.41 H new ATOM 2779 N LEU A 181 -7.363 -9.076 4.359 1.00 0.49 N ATOM 2780 CA LEU A 181 -7.982 -7.726 4.446 1.00 0.50 C ATOM 2781 C LEU A 181 -9.374 -7.868 5.060 1.00 0.49 C ATOM 2782 O LEU A 181 -9.845 -7.020 5.791 1.00 0.51 O ATOM 2783 CB LEU A 181 -8.079 -7.133 3.036 1.00 0.56 C ATOM 2784 CG LEU A 181 -8.948 -5.869 3.014 1.00 0.64 C ATOM 2785 CD1 LEU A 181 -8.432 -4.831 4.014 1.00 1.60 C ATOM 2786 CD2 LEU A 181 -8.901 -5.291 1.598 1.00 1.20 C ATOM 0 H LEU A 181 -7.148 -9.398 3.415 1.00 0.49 H new ATOM 0 HA LEU A 181 -7.380 -7.064 5.068 1.00 0.50 H new ATOM 0 HB2 LEU A 181 -7.080 -6.895 2.671 1.00 0.56 H new ATOM 0 HB3 LEU A 181 -8.498 -7.875 2.356 1.00 0.56 H new ATOM 0 HG LEU A 181 -9.970 -6.123 3.296 1.00 0.64 H new ATOM 0 HD11 LEU A 181 -9.066 -3.945 3.978 1.00 1.60 H new ATOM 0 HD12 LEU A 181 -8.453 -5.252 5.019 1.00 1.60 H new ATOM 0 HD13 LEU A 181 -7.409 -4.556 3.758 1.00 1.60 H new ATOM 0 HD21 LEU A 181 -9.512 -4.389 1.553 1.00 1.20 H new ATOM 0 HD22 LEU A 181 -7.871 -5.045 1.339 1.00 1.20 H new ATOM 0 HD23 LEU A 181 -9.287 -6.026 0.892 1.00 1.20 H new ATOM 2798 N THR A 182 -10.039 -8.948 4.741 1.00 0.49 N ATOM 2799 CA THR A 182 -11.411 -9.179 5.268 1.00 0.51 C ATOM 2800 C THR A 182 -11.362 -9.453 6.770 1.00 0.48 C ATOM 2801 O THR A 182 -12.188 -8.975 7.516 1.00 0.51 O ATOM 2802 CB THR A 182 -12.036 -10.379 4.551 1.00 0.54 C ATOM 2803 OG1 THR A 182 -11.820 -10.258 3.152 1.00 1.16 O ATOM 2804 CG2 THR A 182 -13.539 -10.421 4.834 1.00 1.07 C ATOM 0 H THR A 182 -9.684 -9.685 4.132 1.00 0.49 H new ATOM 0 HA THR A 182 -12.013 -8.288 5.091 1.00 0.51 H new ATOM 0 HB THR A 182 -11.575 -11.298 4.913 1.00 0.54 H new ATOM 0 HG1 THR A 182 -11.113 -10.878 2.875 1.00 1.16 H new ATOM 0 HG21 THR A 182 -13.982 -11.276 4.323 1.00 1.07 H new ATOM 0 HG22 THR A 182 -13.705 -10.514 5.907 1.00 1.07 H new ATOM 0 HG23 THR A 182 -14.003 -9.503 4.474 1.00 1.07 H new ATOM 2812 N ALA A 183 -10.402 -10.223 7.217 1.00 0.45 N ATOM 2813 CA ALA A 183 -10.307 -10.540 8.673 1.00 0.44 C ATOM 2814 C ALA A 183 -10.370 -9.248 9.490 1.00 0.44 C ATOM 2815 O ALA A 183 -11.055 -9.159 10.490 1.00 0.50 O ATOM 2816 CB ALA A 183 -8.978 -11.250 8.946 1.00 0.46 C ATOM 0 H ALA A 183 -9.679 -10.646 6.635 1.00 0.45 H new ATOM 0 HA ALA A 183 -11.137 -11.185 8.959 1.00 0.44 H new ATOM 0 HB1 ALA A 183 -8.902 -11.484 10.008 1.00 0.46 H new ATOM 0 HB2 ALA A 183 -8.932 -12.172 8.367 1.00 0.46 H new ATOM 0 HB3 ALA A 183 -8.152 -10.599 8.658 1.00 0.46 H new ATOM 2822 N SER A 184 -9.649 -8.250 9.065 1.00 0.47 N ATOM 2823 CA SER A 184 -9.645 -6.951 9.802 1.00 0.51 C ATOM 2824 C SER A 184 -10.999 -6.247 9.654 1.00 0.54 C ATOM 2825 O SER A 184 -11.478 -5.600 10.566 1.00 0.56 O ATOM 2826 CB SER A 184 -8.541 -6.052 9.246 1.00 0.62 C ATOM 2827 OG SER A 184 -8.395 -4.916 10.089 1.00 1.55 O ATOM 0 H SER A 184 -9.058 -8.276 8.234 1.00 0.47 H new ATOM 0 HA SER A 184 -9.464 -7.148 10.859 1.00 0.51 H new ATOM 0 HB2 SER A 184 -7.601 -6.602 9.190 1.00 0.62 H new ATOM 0 HB3 SER A 184 -8.787 -5.738 8.232 1.00 0.62 H new ATOM 0 HG SER A 184 -7.524 -4.498 9.926 1.00 1.55 H new ATOM 2833 N LEU A 185 -11.621 -6.354 8.516 1.00 0.58 N ATOM 2834 CA LEU A 185 -12.931 -5.674 8.332 1.00 0.69 C ATOM 2835 C LEU A 185 -13.980 -6.296 9.253 1.00 0.69 C ATOM 2836 O LEU A 185 -14.912 -5.638 9.672 1.00 0.79 O ATOM 2837 CB LEU A 185 -13.385 -5.799 6.875 1.00 0.71 C ATOM 2838 CG LEU A 185 -12.502 -4.924 5.969 1.00 0.79 C ATOM 2839 CD1 LEU A 185 -12.882 -5.181 4.507 1.00 1.62 C ATOM 2840 CD2 LEU A 185 -12.698 -3.428 6.303 1.00 1.18 C ATOM 0 H LEU A 185 -11.282 -6.879 7.710 1.00 0.58 H new ATOM 0 HA LEU A 185 -12.817 -4.619 8.583 1.00 0.69 H new ATOM 0 HB2 LEU A 185 -13.328 -6.840 6.556 1.00 0.71 H new ATOM 0 HB3 LEU A 185 -14.428 -5.495 6.783 1.00 0.71 H new ATOM 0 HG LEU A 185 -11.455 -5.179 6.133 1.00 0.79 H new ATOM 0 HD11 LEU A 185 -12.261 -4.565 3.856 1.00 1.62 H new ATOM 0 HD12 LEU A 185 -12.724 -6.233 4.270 1.00 1.62 H new ATOM 0 HD13 LEU A 185 -13.931 -4.928 4.354 1.00 1.62 H new ATOM 0 HD21 LEU A 185 -12.066 -2.824 5.652 1.00 1.18 H new ATOM 0 HD22 LEU A 185 -13.742 -3.155 6.150 1.00 1.18 H new ATOM 0 HD23 LEU A 185 -12.425 -3.249 7.343 1.00 1.18 H new ATOM 2852 N THR A 186 -13.844 -7.557 9.574 1.00 0.62 N ATOM 2853 CA THR A 186 -14.844 -8.211 10.470 1.00 0.68 C ATOM 2854 C THR A 186 -14.380 -8.152 11.920 1.00 0.62 C ATOM 2855 O THR A 186 -15.140 -8.460 12.816 1.00 0.64 O ATOM 2856 CB THR A 186 -15.087 -9.658 10.033 1.00 0.73 C ATOM 2857 OG1 THR A 186 -15.984 -10.281 10.943 1.00 0.89 O ATOM 2858 CG2 THR A 186 -13.772 -10.433 9.997 1.00 1.00 C ATOM 0 H THR A 186 -13.086 -8.161 9.255 1.00 0.62 H new ATOM 0 HA THR A 186 -15.787 -7.669 10.393 1.00 0.68 H new ATOM 0 HB THR A 186 -15.519 -9.657 9.032 1.00 0.73 H new ATOM 0 HG1 THR A 186 -15.933 -9.831 11.812 1.00 0.89 H new ATOM 0 HG21 THR A 186 -13.963 -11.460 9.684 1.00 1.00 H new ATOM 0 HG22 THR A 186 -13.090 -9.960 9.291 1.00 1.00 H new ATOM 0 HG23 THR A 186 -13.323 -10.434 10.990 1.00 1.00 H new ATOM 2866 N ILE A 187 -13.144 -7.785 12.191 1.00 0.64 N ATOM 2867 CA ILE A 187 -12.716 -7.757 13.628 1.00 0.66 C ATOM 2868 C ILE A 187 -13.297 -6.474 14.240 1.00 0.66 C ATOM 2869 O ILE A 187 -13.563 -6.400 15.424 1.00 0.75 O ATOM 2870 CB ILE A 187 -11.179 -7.808 13.728 1.00 0.72 C ATOM 2871 CG1 ILE A 187 -10.767 -8.404 15.075 1.00 0.88 C ATOM 2872 CG2 ILE A 187 -10.579 -6.399 13.593 1.00 1.57 C ATOM 2873 CD1 ILE A 187 -9.240 -8.403 15.181 1.00 0.87 C ATOM 0 H ILE A 187 -12.438 -7.514 11.507 1.00 0.64 H new ATOM 0 HA ILE A 187 -13.085 -8.624 14.176 1.00 0.66 H new ATOM 0 HB ILE A 187 -10.803 -8.432 12.917 1.00 0.72 H new ATOM 0 HG12 ILE A 187 -11.200 -7.824 15.890 1.00 0.88 H new ATOM 0 HG13 ILE A 187 -11.149 -9.421 15.168 1.00 0.88 H new ATOM 0 HG21 ILE A 187 -9.493 -6.457 13.666 1.00 1.57 H new ATOM 0 HG22 ILE A 187 -10.855 -5.977 12.627 1.00 1.57 H new ATOM 0 HG23 ILE A 187 -10.963 -5.762 14.390 1.00 1.57 H new ATOM 0 HD11 ILE A 187 -8.942 -8.827 16.140 1.00 0.87 H new ATOM 0 HD12 ILE A 187 -8.819 -9.001 14.373 1.00 0.87 H new ATOM 0 HD13 ILE A 187 -8.871 -7.380 15.106 1.00 0.87 H new ATOM 2885 N TRP A 188 -13.468 -5.452 13.439 1.00 0.64 N ATOM 2886 CA TRP A 188 -14.006 -4.166 13.976 1.00 0.70 C ATOM 2887 C TRP A 188 -15.377 -4.426 14.623 1.00 0.81 C ATOM 2888 O TRP A 188 -15.532 -4.330 15.825 1.00 1.06 O ATOM 2889 CB TRP A 188 -14.142 -3.157 12.803 1.00 0.85 C ATOM 2890 CG TRP A 188 -13.291 -1.945 13.038 1.00 0.92 C ATOM 2891 CD1 TRP A 188 -12.242 -1.571 12.270 1.00 1.76 C ATOM 2892 CD2 TRP A 188 -13.404 -0.948 14.091 1.00 1.04 C ATOM 2893 NE1 TRP A 188 -11.705 -0.405 12.786 1.00 2.01 N ATOM 2894 CE2 TRP A 188 -12.388 0.018 13.909 1.00 1.34 C ATOM 2895 CE3 TRP A 188 -14.283 -0.792 15.176 1.00 1.79 C ATOM 2896 CZ2 TRP A 188 -12.250 1.104 14.774 1.00 1.47 C ATOM 2897 CZ3 TRP A 188 -14.148 0.299 16.049 1.00 2.17 C ATOM 2898 CH2 TRP A 188 -13.133 1.246 15.848 1.00 1.71 C ATOM 0 H TRP A 188 -13.259 -5.453 12.441 1.00 0.64 H new ATOM 0 HA TRP A 188 -13.335 -3.753 14.729 1.00 0.70 H new ATOM 0 HB2 TRP A 188 -13.848 -3.637 11.869 1.00 0.85 H new ATOM 0 HB3 TRP A 188 -15.185 -2.859 12.694 1.00 0.85 H new ATOM 0 HD1 TRP A 188 -11.883 -2.096 11.397 1.00 1.76 H new ATOM 0 HE1 TRP A 188 -10.903 0.082 12.386 1.00 2.01 H new ATOM 0 HE3 TRP A 188 -15.068 -1.516 15.339 1.00 1.79 H new ATOM 0 HZ2 TRP A 188 -11.466 1.830 14.615 1.00 1.47 H new ATOM 0 HZ3 TRP A 188 -14.829 0.410 16.880 1.00 2.17 H new ATOM 0 HH2 TRP A 188 -13.034 2.084 16.522 1.00 1.71 H new