USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 889 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 77 TYR OH : rot 167:sc= 0.0997 USER MOD Set 1.2: A 120 ASN : amide:sc= 0.717 K(o=1.4,f=0.3) USER MOD Set 1.3: A 124 GLN : amide:sc= 0.604 K(o=1.4,f=0.3) USER MOD Set 2.1: A 59 LYS NZ :NH3+ -114:sc= 0.768 (180deg=0.898) USER MOD Set 2.2: A 71 GLN : amide:sc= 0.814 K(o=1.6,f=-1.9) USER MOD Set 3.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 44 THR OG1 : rot -169:sc= 0.786 USER MOD Set 4.2: A 63 LYS NZ :NH3+ 136:sc= 2.15 (180deg=0.328) USER MOD Set 5.1: A 12 CYS SG : rot 160:sc= -0.185 USER MOD Set 5.2: A 122 SER OG : rot 65:sc= 1.3 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 2.41 (180deg=2.37) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 140:sc= 1.18 USER MOD Single : A 51 SER OG : rot 28:sc= 0.0986 USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= 1.87 (180deg=1.29) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.397 K(o=0.4,f=-0.18) USER MOD Single : A 84 THR OG1 : rot -68:sc= 0.049 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.222 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 27:sc= 0.858 USER MOD Single : A 111 THR OG1 : rot 134:sc= 0.899 USER MOD Single : A 126 HIS : no HD1:sc= 0.469 K(o=1,f=-5.1!) USER MOD Single : A 128 LYS NZ :NH3+ -172:sc= 1.31 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -5.605 8.753 14.618 1.00 0.00 N ATOM 172 CA GLU A 8 -5.739 7.587 13.729 1.00 0.00 C ATOM 173 C GLU A 8 -5.601 6.300 14.567 1.00 0.00 C ATOM 174 O GLU A 8 -4.692 6.166 15.390 1.00 0.00 O ATOM 175 CB GLU A 8 -4.712 7.611 12.579 1.00 0.00 C ATOM 176 CG GLU A 8 -3.240 7.660 13.012 1.00 0.00 C ATOM 177 CD GLU A 8 -2.340 7.969 11.813 1.00 0.00 C ATOM 178 OE1 GLU A 8 -2.267 7.126 10.890 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.672 9.030 11.789 1.00 0.00 O ATOM 0 HA GLU A 8 -6.723 7.619 13.262 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.862 6.725 11.962 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.917 8.477 11.949 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.106 8.421 13.781 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.953 6.706 13.454 1.00 0.00 H new ATOM 186 N SER A 9 -6.519 5.357 14.371 1.00 0.00 N ATOM 187 CA SER A 9 -6.635 4.109 15.140 1.00 0.00 C ATOM 188 C SER A 9 -6.126 2.895 14.359 1.00 0.00 C ATOM 189 O SER A 9 -6.536 2.688 13.218 1.00 0.00 O ATOM 190 CB SER A 9 -8.096 3.889 15.544 1.00 0.00 C ATOM 191 OG SER A 9 -8.499 4.870 16.489 1.00 0.00 O ATOM 0 H SER A 9 -7.232 5.439 13.646 1.00 0.00 H new ATOM 0 HA SER A 9 -6.010 4.211 16.027 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.736 3.939 14.663 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.217 2.893 15.970 1.00 0.00 H new ATOM 0 HG SER A 9 -9.435 4.720 16.738 1.00 0.00 H new ATOM 197 N VAL A 10 -5.245 2.072 14.941 1.00 0.00 N ATOM 198 CA VAL A 10 -4.659 0.905 14.246 1.00 0.00 C ATOM 199 C VAL A 10 -5.704 -0.179 13.935 1.00 0.00 C ATOM 200 O VAL A 10 -6.503 -0.562 14.793 1.00 0.00 O ATOM 201 CB VAL A 10 -3.406 0.361 14.969 1.00 0.00 C ATOM 202 CG1 VAL A 10 -3.689 -0.212 16.362 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.686 -0.702 14.131 1.00 0.00 C ATOM 0 H VAL A 10 -4.916 2.189 15.899 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.309 1.259 13.276 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.765 1.233 15.098 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.760 -0.573 16.803 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.113 0.566 16.996 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.396 -1.038 16.279 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.810 -1.060 14.672 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.362 -1.536 13.942 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.373 -0.267 13.182 1.00 0.00 H new ATOM 213 N LEU A 11 -5.681 -0.672 12.693 1.00 0.00 N ATOM 214 CA LEU A 11 -6.523 -1.759 12.183 1.00 0.00 C ATOM 215 C LEU A 11 -5.716 -3.035 11.905 1.00 0.00 C ATOM 216 O LEU A 11 -6.174 -4.131 12.230 1.00 0.00 O ATOM 217 CB LEU A 11 -7.210 -1.327 10.873 1.00 0.00 C ATOM 218 CG LEU A 11 -8.133 -0.101 10.952 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.774 0.099 9.578 1.00 0.00 C ATOM 220 CD2 LEU A 11 -9.238 -0.268 11.997 1.00 0.00 C ATOM 0 H LEU A 11 -5.046 -0.308 11.983 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.262 -1.974 12.955 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.436 -1.123 10.133 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.793 -2.169 10.500 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.533 0.760 11.248 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.435 0.965 9.608 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.995 0.263 8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.349 -0.788 9.312 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.862 0.626 12.013 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.850 -1.134 11.744 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.790 -0.415 12.980 1.00 0.00 H new ATOM 232 N CYS A 12 -4.534 -2.898 11.291 1.00 0.00 N ATOM 233 CA CYS A 12 -3.715 -4.028 10.845 1.00 0.00 C ATOM 234 C CYS A 12 -2.209 -3.772 10.981 1.00 0.00 C ATOM 235 O CYS A 12 -1.732 -2.636 10.940 1.00 0.00 O ATOM 236 CB CYS A 12 -4.123 -4.414 9.414 1.00 0.00 C ATOM 237 SG CYS A 12 -3.526 -6.078 8.991 1.00 0.00 S ATOM 0 H CYS A 12 -4.117 -1.990 11.089 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.909 -4.873 11.506 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.208 -4.379 9.320 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.718 -3.688 8.709 1.00 0.00 H new ATOM 0 HG CYS A 12 -4.217 -6.547 7.995 1.00 0.00 H new ATOM 243 N VAL A 13 -1.464 -4.866 11.119 1.00 0.00 N ATOM 244 CA VAL A 13 -0.003 -4.937 11.103 1.00 0.00 C ATOM 245 C VAL A 13 0.418 -6.188 10.330 1.00 0.00 C ATOM 246 O VAL A 13 -0.121 -7.273 10.567 1.00 0.00 O ATOM 247 CB VAL A 13 0.565 -4.890 12.539 1.00 0.00 C ATOM 248 CG1 VAL A 13 0.077 -6.015 13.461 1.00 0.00 C ATOM 249 CG2 VAL A 13 2.098 -4.873 12.575 1.00 0.00 C ATOM 0 H VAL A 13 -1.889 -5.783 11.253 1.00 0.00 H new ATOM 0 HA VAL A 13 0.415 -4.069 10.592 1.00 0.00 H new ATOM 0 HB VAL A 13 0.172 -3.948 12.921 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.528 -5.899 14.446 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.008 -5.967 13.551 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.364 -6.979 13.042 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.437 -4.840 13.610 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.483 -5.773 12.096 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.465 -3.994 12.045 1.00 0.00 H new ATOM 259 N LYS A 14 1.374 -6.047 9.403 1.00 0.00 N ATOM 260 CA LYS A 14 2.022 -7.188 8.716 1.00 0.00 C ATOM 261 C LYS A 14 3.552 -7.192 8.871 1.00 0.00 C ATOM 262 O LYS A 14 4.167 -6.122 8.840 1.00 0.00 O ATOM 263 CB LYS A 14 1.569 -7.335 7.246 1.00 0.00 C ATOM 264 CG LYS A 14 0.149 -7.898 7.084 1.00 0.00 C ATOM 265 CD LYS A 14 0.040 -9.362 7.544 1.00 0.00 C ATOM 266 CE LYS A 14 -1.319 -9.919 7.131 1.00 0.00 C ATOM 267 NZ LYS A 14 -1.461 -11.360 7.455 1.00 0.00 N ATOM 0 H LYS A 14 1.726 -5.138 9.102 1.00 0.00 H new ATOM 0 HA LYS A 14 1.671 -8.083 9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.620 -6.360 6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.269 -7.987 6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.548 -7.287 7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.150 -7.826 6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.839 -9.955 7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.159 -9.425 8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.107 -9.357 7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.458 -9.775 6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.428 -11.672 7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.782 -11.911 6.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.272 -11.509 8.467 1.00 0.00 H new ATOM 281 N PRO A 15 4.165 -8.383 9.048 1.00 0.00 N ATOM 282 CA PRO A 15 5.531 -8.535 9.559 1.00 0.00 C ATOM 283 C PRO A 15 6.638 -8.247 8.532 1.00 0.00 C ATOM 284 O PRO A 15 7.728 -7.822 8.914 1.00 0.00 O ATOM 285 CB PRO A 15 5.605 -9.990 10.045 1.00 0.00 C ATOM 286 CG PRO A 15 4.610 -10.725 9.144 1.00 0.00 C ATOM 287 CD PRO A 15 3.514 -9.688 8.974 1.00 0.00 C ATOM 0 HA PRO A 15 5.714 -7.800 10.343 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.612 -10.395 9.944 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.331 -10.075 11.097 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.055 -11.008 8.190 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.239 -11.639 9.607 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.005 -9.814 8.018 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.759 -9.790 9.753 1.00 0.00 H new ATOM 295 N ASP A 16 6.380 -8.490 7.243 1.00 0.00 N ATOM 296 CA ASP A 16 7.364 -8.369 6.162 1.00 0.00 C ATOM 297 C ASP A 16 6.686 -7.931 4.852 1.00 0.00 C ATOM 298 O ASP A 16 5.759 -8.585 4.365 1.00 0.00 O ATOM 299 CB ASP A 16 8.102 -9.708 6.008 1.00 0.00 C ATOM 300 CG ASP A 16 9.195 -9.690 4.928 1.00 0.00 C ATOM 301 OD1 ASP A 16 9.529 -10.778 4.402 1.00 0.00 O ATOM 302 OD2 ASP A 16 9.753 -8.606 4.641 1.00 0.00 O ATOM 0 H ASP A 16 5.460 -8.783 6.914 1.00 0.00 H new ATOM 0 HA ASP A 16 8.092 -7.597 6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.552 -9.977 6.964 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.378 -10.486 5.767 1.00 0.00 H new ATOM 307 N VAL A 17 7.140 -6.806 4.296 1.00 0.00 N ATOM 308 CA VAL A 17 6.578 -6.152 3.106 1.00 0.00 C ATOM 309 C VAL A 17 7.697 -5.471 2.315 1.00 0.00 C ATOM 310 O VAL A 17 8.626 -4.911 2.903 1.00 0.00 O ATOM 311 CB VAL A 17 5.451 -5.169 3.499 1.00 0.00 C ATOM 312 CG1 VAL A 17 5.902 -4.022 4.411 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.750 -4.579 2.274 1.00 0.00 C ATOM 0 H VAL A 17 7.942 -6.303 4.676 1.00 0.00 H new ATOM 0 HA VAL A 17 6.123 -6.903 2.460 1.00 0.00 H new ATOM 0 HB VAL A 17 4.753 -5.784 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.050 -3.381 4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.305 -4.431 5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.672 -3.438 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.966 -3.894 2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.475 -4.039 1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.309 -5.383 1.685 1.00 0.00 H new ATOM 323 N SER A 18 7.612 -5.522 0.986 1.00 0.00 N ATOM 324 CA SER A 18 8.663 -5.078 0.064 1.00 0.00 C ATOM 325 C SER A 18 8.125 -4.070 -0.959 1.00 0.00 C ATOM 326 O SER A 18 6.991 -4.187 -1.421 1.00 0.00 O ATOM 327 CB SER A 18 9.274 -6.293 -0.641 1.00 0.00 C ATOM 328 OG SER A 18 9.725 -7.263 0.294 1.00 0.00 O ATOM 0 H SER A 18 6.788 -5.883 0.505 1.00 0.00 H new ATOM 0 HA SER A 18 9.436 -4.571 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.534 -6.741 -1.304 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.108 -5.972 -1.265 1.00 0.00 H new ATOM 0 HG SER A 18 10.108 -8.027 -0.186 1.00 0.00 H new ATOM 334 N VAL A 19 8.928 -3.070 -1.324 1.00 0.00 N ATOM 335 CA VAL A 19 8.523 -1.936 -2.173 1.00 0.00 C ATOM 336 C VAL A 19 9.420 -1.811 -3.404 1.00 0.00 C ATOM 337 O VAL A 19 10.648 -1.867 -3.317 1.00 0.00 O ATOM 338 CB VAL A 19 8.437 -0.635 -1.355 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.216 0.596 -2.237 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.263 -0.738 -0.371 1.00 0.00 C ATOM 0 H VAL A 19 9.904 -3.020 -1.033 1.00 0.00 H new ATOM 0 HA VAL A 19 7.519 -2.132 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 19 9.387 -0.515 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.163 1.487 -1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.044 0.694 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.283 0.485 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.196 0.180 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.336 -0.885 -0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.423 -1.583 0.299 1.00 0.00 H new ATOM 350 N TYR A 20 8.773 -1.641 -4.560 1.00 0.00 N ATOM 351 CA TYR A 20 9.355 -1.867 -5.895 1.00 0.00 C ATOM 352 C TYR A 20 9.473 -0.609 -6.789 1.00 0.00 C ATOM 353 O TYR A 20 9.948 -0.715 -7.919 1.00 0.00 O ATOM 354 CB TYR A 20 8.570 -3.008 -6.565 1.00 0.00 C ATOM 355 CG TYR A 20 8.693 -4.349 -5.854 1.00 0.00 C ATOM 356 CD1 TYR A 20 9.627 -5.303 -6.302 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.889 -4.645 -4.734 1.00 0.00 C ATOM 358 CE1 TYR A 20 9.741 -6.551 -5.660 1.00 0.00 C ATOM 359 CE2 TYR A 20 8.038 -5.873 -4.063 1.00 0.00 C ATOM 360 CZ TYR A 20 8.952 -6.835 -4.528 1.00 0.00 C ATOM 361 OH TYR A 20 9.075 -8.019 -3.868 1.00 0.00 O ATOM 0 H TYR A 20 7.801 -1.333 -4.599 1.00 0.00 H new ATOM 0 HA TYR A 20 10.399 -2.150 -5.760 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.517 -2.730 -6.614 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.918 -3.120 -7.592 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.262 -5.075 -7.146 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.158 -3.928 -4.391 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.433 -7.290 -6.035 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.445 -6.078 -3.184 1.00 0.00 H new ATOM 0 HH TYR A 20 8.452 -8.038 -3.112 1.00 0.00 H new ATOM 371 N ARG A 21 9.078 0.568 -6.270 1.00 0.00 N ATOM 372 CA ARG A 21 9.299 1.950 -6.785 1.00 0.00 C ATOM 373 C ARG A 21 9.162 2.113 -8.315 1.00 0.00 C ATOM 374 O ARG A 21 10.117 1.948 -9.076 1.00 0.00 O ATOM 375 CB ARG A 21 10.656 2.487 -6.283 1.00 0.00 C ATOM 376 CG ARG A 21 10.755 2.516 -4.747 1.00 0.00 C ATOM 377 CD ARG A 21 12.082 3.117 -4.274 1.00 0.00 C ATOM 378 NE ARG A 21 12.145 4.581 -4.435 1.00 0.00 N ATOM 379 CZ ARG A 21 13.195 5.339 -4.166 1.00 0.00 C ATOM 380 NH1 ARG A 21 13.133 6.630 -4.329 1.00 0.00 N ATOM 381 NH2 ARG A 21 14.322 4.846 -3.734 1.00 0.00 N ATOM 0 H ARG A 21 8.547 0.588 -5.400 1.00 0.00 H new ATOM 0 HA ARG A 21 8.484 2.550 -6.379 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.458 1.866 -6.682 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.809 3.494 -6.671 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.927 3.097 -4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.655 1.503 -4.357 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.234 2.866 -3.224 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.900 2.661 -4.832 1.00 0.00 H new ATOM 0 HE ARG A 21 11.308 5.049 -4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.272 7.061 -4.666 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.946 7.210 -4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.418 3.841 -3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.108 5.466 -3.538 1.00 0.00 H new ATOM 395 N ILE A 22 7.950 2.450 -8.761 1.00 0.00 N ATOM 396 CA ILE A 22 7.465 2.158 -10.125 1.00 0.00 C ATOM 397 C ILE A 22 7.446 3.375 -11.083 1.00 0.00 C ATOM 398 O ILE A 22 7.164 4.492 -10.635 1.00 0.00 O ATOM 399 CB ILE A 22 6.078 1.483 -10.046 1.00 0.00 C ATOM 400 CG1 ILE A 22 4.984 2.465 -9.567 1.00 0.00 C ATOM 401 CG2 ILE A 22 6.166 0.227 -9.167 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.615 1.825 -9.355 1.00 0.00 C ATOM 0 H ILE A 22 7.265 2.939 -8.184 1.00 0.00 H new ATOM 0 HA ILE A 22 8.191 1.477 -10.569 1.00 0.00 H new ATOM 0 HB ILE A 22 5.779 1.176 -11.048 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.307 2.922 -8.632 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.888 3.268 -10.298 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.187 -0.248 -9.112 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.884 -0.470 -9.599 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.490 0.506 -8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.907 2.583 -9.020 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.266 1.392 -10.293 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.692 1.042 -8.601 1.00 0.00 H new ATOM 414 N PRO A 23 7.683 3.183 -12.401 1.00 0.00 N ATOM 415 CA PRO A 23 7.542 4.243 -13.407 1.00 0.00 C ATOM 416 C PRO A 23 6.120 4.551 -13.959 1.00 0.00 C ATOM 417 O PRO A 23 5.867 5.736 -14.206 1.00 0.00 O ATOM 418 CB PRO A 23 8.545 3.900 -14.514 1.00 0.00 C ATOM 419 CG PRO A 23 8.799 2.399 -14.389 1.00 0.00 C ATOM 420 CD PRO A 23 8.427 2.051 -12.947 1.00 0.00 C ATOM 0 HA PRO A 23 7.749 5.191 -12.910 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.144 4.149 -15.497 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.469 4.465 -14.394 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.193 1.836 -15.099 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.841 2.157 -14.597 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.823 1.144 -12.915 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.322 1.859 -12.356 1.00 0.00 H new ATOM 428 N PRO A 24 5.183 3.598 -14.187 1.00 0.00 N ATOM 429 CA PRO A 24 3.874 3.891 -14.793 1.00 0.00 C ATOM 430 C PRO A 24 2.852 4.490 -13.806 1.00 0.00 C ATOM 431 O PRO A 24 3.083 4.538 -12.595 1.00 0.00 O ATOM 432 CB PRO A 24 3.390 2.554 -15.370 1.00 0.00 C ATOM 433 CG PRO A 24 3.975 1.538 -14.400 1.00 0.00 C ATOM 434 CD PRO A 24 5.326 2.156 -14.048 1.00 0.00 C ATOM 0 HA PRO A 24 3.975 4.662 -15.557 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.302 2.499 -15.406 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.751 2.398 -16.386 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.346 1.409 -13.519 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.086 0.556 -14.859 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.617 1.894 -13.031 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.106 1.780 -14.710 1.00 0.00 H new ATOM 525 N GLY A 30 -3.899 -0.742 -16.284 1.00 0.00 N ATOM 526 CA GLY A 30 -3.629 -0.419 -14.885 1.00 0.00 C ATOM 527 C GLY A 30 -2.137 -0.172 -14.672 1.00 0.00 C ATOM 528 O GLY A 30 -1.560 0.707 -15.318 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.195 0.466 -14.594 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.963 -1.236 -14.246 1.00 0.00 H new ATOM 532 N TYR A 31 -1.513 -0.972 -13.805 1.00 0.00 N ATOM 533 CA TYR A 31 -0.084 -0.866 -13.474 1.00 0.00 C ATOM 534 C TYR A 31 0.754 -2.090 -13.844 1.00 0.00 C ATOM 535 O TYR A 31 1.913 -1.907 -14.202 1.00 0.00 O ATOM 536 CB TYR A 31 0.067 -0.628 -11.975 1.00 0.00 C ATOM 537 CG TYR A 31 -0.263 0.773 -11.541 1.00 0.00 C ATOM 538 CD1 TYR A 31 -1.559 1.092 -11.097 1.00 0.00 C ATOM 539 CD2 TYR A 31 0.766 1.730 -11.519 1.00 0.00 C ATOM 540 CE1 TYR A 31 -1.825 2.384 -10.604 1.00 0.00 C ATOM 541 CE2 TYR A 31 0.513 3.005 -10.988 1.00 0.00 C ATOM 542 CZ TYR A 31 -0.783 3.339 -10.530 1.00 0.00 C ATOM 543 OH TYR A 31 -1.010 4.572 -9.998 1.00 0.00 O ATOM 0 H TYR A 31 -1.989 -1.723 -13.305 1.00 0.00 H new ATOM 0 HA TYR A 31 0.292 -0.036 -14.072 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.579 -1.324 -11.440 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.092 -0.856 -11.683 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.344 0.352 -11.134 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.744 1.487 -11.908 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.822 2.646 -10.283 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.309 3.732 -10.929 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.183 5.098 -10.026 1.00 0.00 H new ATOM 553 N ARG A 32 0.183 -3.300 -13.728 1.00 0.00 N ATOM 554 CA ARG A 32 0.789 -4.636 -13.852 1.00 0.00 C ATOM 555 C ARG A 32 2.157 -4.795 -13.158 1.00 0.00 C ATOM 556 O ARG A 32 3.176 -4.350 -13.675 1.00 0.00 O ATOM 557 CB ARG A 32 0.800 -5.131 -15.321 1.00 0.00 C ATOM 558 CG ARG A 32 -0.091 -4.436 -16.377 1.00 0.00 C ATOM 559 CD ARG A 32 0.585 -3.278 -17.134 1.00 0.00 C ATOM 560 NE ARG A 32 1.547 -3.719 -18.166 1.00 0.00 N ATOM 561 CZ ARG A 32 1.324 -4.315 -19.323 1.00 0.00 C ATOM 562 NH1 ARG A 32 2.344 -4.617 -20.065 1.00 0.00 N ATOM 563 NH2 ARG A 32 0.130 -4.583 -19.770 1.00 0.00 N ATOM 0 H ARG A 32 -0.814 -3.374 -13.525 1.00 0.00 H new ATOM 0 HA ARG A 32 0.131 -5.297 -13.288 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.829 -5.072 -15.675 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.527 -6.186 -15.310 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.420 -5.181 -17.101 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.985 -4.055 -15.883 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.184 -2.667 -17.606 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.103 -2.641 -16.417 1.00 0.00 H new ATOM 0 HE ARG A 32 2.528 -3.536 -17.953 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.288 -4.394 -19.750 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.202 -5.078 -20.964 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.690 -4.330 -19.218 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.015 -5.046 -20.672 1.00 0.00 H new ATOM 577 N ALA A 33 2.218 -5.537 -12.044 1.00 0.00 N ATOM 578 CA ALA A 33 3.476 -5.813 -11.322 1.00 0.00 C ATOM 579 C ALA A 33 4.577 -6.429 -12.211 1.00 0.00 C ATOM 580 O ALA A 33 5.765 -6.215 -11.980 1.00 0.00 O ATOM 581 CB ALA A 33 3.182 -6.755 -10.152 1.00 0.00 C ATOM 0 H ALA A 33 1.398 -5.965 -11.614 1.00 0.00 H new ATOM 0 HA ALA A 33 3.859 -4.854 -10.974 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.106 -6.965 -9.613 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.467 -6.285 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.764 -7.687 -10.532 1.00 0.00 H new ATOM 587 N SER A 34 4.167 -7.170 -13.248 1.00 0.00 N ATOM 588 CA SER A 34 5.040 -7.800 -14.244 1.00 0.00 C ATOM 589 C SER A 34 5.715 -6.798 -15.208 1.00 0.00 C ATOM 590 O SER A 34 6.704 -7.134 -15.862 1.00 0.00 O ATOM 591 CB SER A 34 4.193 -8.817 -15.020 1.00 0.00 C ATOM 592 OG SER A 34 5.006 -9.842 -15.564 1.00 0.00 O ATOM 0 H SER A 34 3.179 -7.354 -13.422 1.00 0.00 H new ATOM 0 HA SER A 34 5.866 -8.282 -13.721 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.445 -9.253 -14.358 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.654 -8.311 -15.821 1.00 0.00 H new ATOM 0 HG SER A 34 4.445 -10.480 -16.053 1.00 0.00 H new ATOM 598 N ASP A 35 5.212 -5.559 -15.305 1.00 0.00 N ATOM 599 CA ASP A 35 5.769 -4.498 -16.157 1.00 0.00 C ATOM 600 C ASP A 35 7.017 -3.832 -15.543 1.00 0.00 C ATOM 601 O ASP A 35 7.962 -3.478 -16.254 1.00 0.00 O ATOM 602 CB ASP A 35 4.676 -3.450 -16.405 1.00 0.00 C ATOM 603 CG ASP A 35 4.894 -2.718 -17.732 1.00 0.00 C ATOM 604 OD1 ASP A 35 5.545 -1.649 -17.756 1.00 0.00 O ATOM 605 OD2 ASP A 35 4.362 -3.221 -18.751 1.00 0.00 O ATOM 0 H ASP A 35 4.389 -5.260 -14.782 1.00 0.00 H new ATOM 0 HA ASP A 35 6.093 -4.950 -17.095 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.700 -3.935 -16.411 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.669 -2.729 -15.587 1.00 0.00 H new ATOM 610 N TRP A 36 7.025 -3.700 -14.214 1.00 0.00 N ATOM 611 CA TRP A 36 8.127 -3.196 -13.384 1.00 0.00 C ATOM 612 C TRP A 36 8.843 -4.349 -12.649 1.00 0.00 C ATOM 613 O TRP A 36 8.688 -5.522 -13.005 1.00 0.00 O ATOM 614 CB TRP A 36 7.608 -2.063 -12.466 1.00 0.00 C ATOM 615 CG TRP A 36 6.154 -2.038 -12.100 1.00 0.00 C ATOM 616 CD1 TRP A 36 5.185 -1.494 -12.866 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.484 -2.493 -10.881 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.973 -1.587 -12.224 1.00 0.00 N ATOM 619 CE2 TRP A 36 4.106 -2.131 -10.968 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.899 -3.126 -9.688 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.204 -2.344 -9.917 1.00 0.00 C ATOM 622 CZ3 TRP A 36 4.993 -3.376 -8.637 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.649 -2.975 -8.743 1.00 0.00 C ATOM 0 H TRP A 36 6.213 -3.957 -13.653 1.00 0.00 H new ATOM 0 HA TRP A 36 8.900 -2.751 -14.011 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.181 -2.101 -11.539 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.843 -1.114 -12.948 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.339 -1.051 -13.839 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.085 -1.289 -12.629 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.931 -3.424 -9.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.176 -2.026 -10.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.333 -3.879 -7.744 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.963 -3.151 -7.927 1.00 0.00 H new ATOM 634 N LYS A 37 9.672 -4.036 -11.641 1.00 0.00 N ATOM 635 CA LYS A 37 10.287 -5.037 -10.759 1.00 0.00 C ATOM 636 C LYS A 37 9.228 -5.833 -10.008 1.00 0.00 C ATOM 637 O LYS A 37 8.454 -5.315 -9.208 1.00 0.00 O ATOM 638 CB LYS A 37 11.271 -4.371 -9.779 1.00 0.00 C ATOM 639 CG LYS A 37 12.531 -3.766 -10.416 1.00 0.00 C ATOM 640 CD LYS A 37 13.331 -4.782 -11.252 1.00 0.00 C ATOM 641 CE LYS A 37 14.825 -4.432 -11.327 1.00 0.00 C ATOM 642 NZ LYS A 37 15.077 -3.168 -12.072 1.00 0.00 N ATOM 0 H LYS A 37 9.935 -3.077 -11.415 1.00 0.00 H new ATOM 0 HA LYS A 37 10.847 -5.734 -11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.743 -3.584 -9.241 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.578 -5.111 -9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.244 -2.928 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.172 -3.366 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.215 -5.776 -10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.919 -4.823 -12.260 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.225 -4.341 -10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.362 -5.248 -11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.099 -2.976 -12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.721 -3.261 -13.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.588 -2.382 -11.598 1.00 0.00 H new ATOM 656 N LEU A 38 9.265 -7.126 -10.286 1.00 0.00 N ATOM 657 CA LEU A 38 8.346 -8.144 -9.808 1.00 0.00 C ATOM 658 C LEU A 38 8.972 -8.984 -8.669 1.00 0.00 C ATOM 659 O LEU A 38 8.254 -9.493 -7.810 1.00 0.00 O ATOM 660 CB LEU A 38 7.995 -8.938 -11.083 1.00 0.00 C ATOM 661 CG LEU A 38 7.073 -10.127 -10.853 1.00 0.00 C ATOM 662 CD1 LEU A 38 5.658 -9.711 -10.440 1.00 0.00 C ATOM 663 CD2 LEU A 38 6.976 -10.984 -12.117 1.00 0.00 C ATOM 0 H LEU A 38 9.986 -7.517 -10.892 1.00 0.00 H new ATOM 0 HA LEU A 38 7.445 -7.747 -9.341 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.525 -8.263 -11.798 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.918 -9.294 -11.540 1.00 0.00 H new ATOM 0 HG LEU A 38 7.514 -10.697 -10.035 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.046 -10.601 -10.290 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.703 -9.141 -9.512 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.217 -9.095 -11.223 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.313 -11.829 -11.933 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.579 -10.382 -12.935 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.967 -11.352 -12.384 1.00 0.00 H new ATOM 675 N ASP A 39 10.308 -9.101 -8.641 1.00 0.00 N ATOM 676 CA ASP A 39 11.072 -9.949 -7.705 1.00 0.00 C ATOM 677 C ASP A 39 12.278 -9.235 -7.039 1.00 0.00 C ATOM 678 O ASP A 39 12.927 -9.806 -6.163 1.00 0.00 O ATOM 679 CB ASP A 39 11.510 -11.205 -8.479 1.00 0.00 C ATOM 680 CG ASP A 39 12.115 -12.302 -7.583 1.00 0.00 C ATOM 681 OD1 ASP A 39 11.403 -12.812 -6.684 1.00 0.00 O ATOM 682 OD2 ASP A 39 13.282 -12.700 -7.814 1.00 0.00 O ATOM 0 H ASP A 39 10.909 -8.592 -9.289 1.00 0.00 H new ATOM 0 HA ASP A 39 10.427 -10.208 -6.866 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.649 -11.614 -9.008 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.242 -10.919 -9.234 1.00 0.00 H new ATOM 687 N GLN A 40 12.576 -7.985 -7.426 1.00 0.00 N ATOM 688 CA GLN A 40 13.735 -7.206 -6.948 1.00 0.00 C ATOM 689 C GLN A 40 13.305 -5.847 -6.343 1.00 0.00 C ATOM 690 O GLN A 40 13.234 -4.853 -7.071 1.00 0.00 O ATOM 691 CB GLN A 40 14.750 -7.032 -8.094 1.00 0.00 C ATOM 692 CG GLN A 40 15.357 -8.363 -8.566 1.00 0.00 C ATOM 693 CD GLN A 40 16.417 -8.148 -9.645 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.599 -7.984 -9.372 1.00 0.00 O ATOM 695 NE2 GLN A 40 16.043 -8.118 -10.908 1.00 0.00 N ATOM 0 H GLN A 40 12.004 -7.472 -8.097 1.00 0.00 H new ATOM 0 HA GLN A 40 14.217 -7.758 -6.141 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.259 -6.544 -8.936 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.551 -6.370 -7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.802 -8.882 -7.717 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.567 -9.006 -8.954 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.062 -8.253 -11.153 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.734 -7.960 -11.641 1.00 0.00 H new ATOM 704 N PRO A 41 12.991 -5.776 -5.032 1.00 0.00 N ATOM 705 CA PRO A 41 12.586 -4.534 -4.368 1.00 0.00 C ATOM 706 C PRO A 41 13.764 -3.572 -4.135 1.00 0.00 C ATOM 707 O PRO A 41 14.932 -3.969 -4.149 1.00 0.00 O ATOM 708 CB PRO A 41 11.948 -4.976 -3.049 1.00 0.00 C ATOM 709 CG PRO A 41 12.707 -6.259 -2.710 1.00 0.00 C ATOM 710 CD PRO A 41 12.975 -6.881 -4.080 1.00 0.00 C ATOM 0 HA PRO A 41 11.893 -3.967 -4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.065 -4.221 -2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.879 -5.157 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.633 -6.049 -2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.116 -6.921 -2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.926 -7.414 -4.086 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.202 -7.605 -4.337 1.00 0.00 H new ATOM 718 N ASP A 42 13.449 -2.302 -3.868 1.00 0.00 N ATOM 719 CA ASP A 42 14.417 -1.264 -3.475 1.00 0.00 C ATOM 720 C ASP A 42 14.429 -1.019 -1.953 1.00 0.00 C ATOM 721 O ASP A 42 15.442 -0.589 -1.395 1.00 0.00 O ATOM 722 CB ASP A 42 14.105 0.024 -4.245 1.00 0.00 C ATOM 723 CG ASP A 42 15.198 1.089 -4.044 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.915 2.133 -3.410 1.00 0.00 O ATOM 725 OD2 ASP A 42 16.327 0.901 -4.555 1.00 0.00 O ATOM 0 H ASP A 42 12.491 -1.954 -3.919 1.00 0.00 H new ATOM 0 HA ASP A 42 15.419 -1.610 -3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.008 -0.202 -5.307 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.145 0.421 -3.915 1.00 0.00 H new ATOM 730 N TRP A 43 13.322 -1.340 -1.274 1.00 0.00 N ATOM 731 CA TRP A 43 13.155 -1.254 0.179 1.00 0.00 C ATOM 732 C TRP A 43 12.323 -2.432 0.700 1.00 0.00 C ATOM 733 O TRP A 43 11.385 -2.864 0.030 1.00 0.00 O ATOM 734 CB TRP A 43 12.474 0.079 0.527 1.00 0.00 C ATOM 735 CG TRP A 43 12.114 0.276 1.970 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.881 0.904 2.890 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.899 -0.136 2.679 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.230 0.918 4.109 1.00 0.00 N ATOM 739 CE2 TRP A 43 10.998 0.303 4.033 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.723 -0.835 2.322 1.00 0.00 C ATOM 741 CZ2 TRP A 43 9.974 0.093 4.965 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.699 -1.079 3.259 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.818 -0.606 4.577 1.00 0.00 C ATOM 0 H TRP A 43 12.483 -1.681 -1.743 1.00 0.00 H new ATOM 0 HA TRP A 43 14.134 -1.299 0.657 1.00 0.00 H new ATOM 0 HB2 TRP A 43 13.134 0.892 0.223 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.566 0.167 -0.069 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.855 1.330 2.701 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.613 1.332 4.959 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.607 -1.190 1.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.072 0.465 5.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.820 -1.632 2.963 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.024 -0.779 5.289 1.00 0.00 H new ATOM 754 N THR A 44 12.612 -2.922 1.908 1.00 0.00 N ATOM 755 CA THR A 44 11.720 -3.810 2.660 1.00 0.00 C ATOM 756 C THR A 44 11.640 -3.417 4.133 1.00 0.00 C ATOM 757 O THR A 44 12.553 -2.799 4.690 1.00 0.00 O ATOM 758 CB THR A 44 12.085 -5.297 2.522 1.00 0.00 C ATOM 759 OG1 THR A 44 13.101 -5.693 3.424 1.00 0.00 O ATOM 760 CG2 THR A 44 12.522 -5.749 1.131 1.00 0.00 C ATOM 0 H THR A 44 13.482 -2.711 2.398 1.00 0.00 H new ATOM 0 HA THR A 44 10.735 -3.681 2.211 1.00 0.00 H new ATOM 0 HB THR A 44 11.136 -5.782 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.420 -6.588 3.185 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.755 -6.814 1.151 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.717 -5.567 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.407 -5.190 0.828 1.00 0.00 H new ATOM 768 N GLY A 45 10.533 -3.789 4.767 1.00 0.00 N ATOM 769 CA GLY A 45 10.212 -3.404 6.131 1.00 0.00 C ATOM 770 C GLY A 45 8.951 -4.083 6.644 1.00 0.00 C ATOM 771 O GLY A 45 8.744 -5.280 6.439 1.00 0.00 O ATOM 0 H GLY A 45 9.821 -4.379 4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.048 -3.656 6.783 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.085 -2.323 6.180 1.00 0.00 H new ATOM 775 N ARG A 46 8.131 -3.292 7.327 1.00 0.00 N ATOM 776 CA ARG A 46 6.958 -3.680 8.121 1.00 0.00 C ATOM 777 C ARG A 46 5.762 -2.787 7.764 1.00 0.00 C ATOM 778 O ARG A 46 5.940 -1.617 7.420 1.00 0.00 O ATOM 779 CB ARG A 46 7.357 -3.579 9.608 1.00 0.00 C ATOM 780 CG ARG A 46 6.347 -4.229 10.562 1.00 0.00 C ATOM 781 CD ARG A 46 6.810 -4.184 12.024 1.00 0.00 C ATOM 782 NE ARG A 46 6.766 -2.828 12.610 1.00 0.00 N ATOM 783 CZ ARG A 46 7.287 -2.460 13.766 1.00 0.00 C ATOM 784 NH1 ARG A 46 7.092 -1.252 14.196 1.00 0.00 N ATOM 785 NH2 ARG A 46 7.985 -3.268 14.515 1.00 0.00 N ATOM 0 H ARG A 46 8.276 -2.282 7.345 1.00 0.00 H new ATOM 0 HA ARG A 46 6.646 -4.702 7.907 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.330 -4.050 9.747 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.471 -2.528 9.874 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.387 -3.720 10.472 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.187 -5.266 10.266 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.182 -4.849 12.617 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.829 -4.567 12.087 1.00 0.00 H new ATOM 0 HE ARG A 46 6.287 -2.107 12.070 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.541 -0.596 13.642 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.490 -0.958 15.088 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.148 -4.229 14.215 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.368 -2.939 15.401 1.00 0.00 H new ATOM 799 N LEU A 47 4.545 -3.321 7.845 1.00 0.00 N ATOM 800 CA LEU A 47 3.303 -2.596 7.544 1.00 0.00 C ATOM 801 C LEU A 47 2.566 -2.204 8.830 1.00 0.00 C ATOM 802 O LEU A 47 2.353 -3.055 9.694 1.00 0.00 O ATOM 803 CB LEU A 47 2.409 -3.511 6.688 1.00 0.00 C ATOM 804 CG LEU A 47 1.044 -2.911 6.291 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.160 -2.003 5.072 1.00 0.00 C ATOM 806 CD2 LEU A 47 0.039 -4.026 6.010 1.00 0.00 C ATOM 0 H LEU A 47 4.387 -4.288 8.127 1.00 0.00 H new ATOM 0 HA LEU A 47 3.541 -1.678 7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.950 -3.774 5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.235 -4.438 7.235 1.00 0.00 H new ATOM 0 HG LEU A 47 0.695 -2.307 7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.178 -1.600 4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.844 -1.183 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.541 -2.576 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.920 -3.590 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.405 -4.649 5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.087 -4.636 6.904 1.00 0.00 H new ATOM 818 N ARG A 48 2.041 -0.976 8.879 1.00 0.00 N ATOM 819 CA ARG A 48 0.882 -0.584 9.694 1.00 0.00 C ATOM 820 C ARG A 48 -0.242 -0.060 8.800 1.00 0.00 C ATOM 821 O ARG A 48 -0.006 0.691 7.854 1.00 0.00 O ATOM 822 CB ARG A 48 1.278 0.497 10.715 1.00 0.00 C ATOM 823 CG ARG A 48 2.122 -0.011 11.889 1.00 0.00 C ATOM 824 CD ARG A 48 1.341 -0.912 12.854 1.00 0.00 C ATOM 825 NE ARG A 48 2.115 -1.125 14.091 1.00 0.00 N ATOM 826 CZ ARG A 48 1.770 -1.832 15.152 1.00 0.00 C ATOM 827 NH1 ARG A 48 2.570 -1.912 16.174 1.00 0.00 N ATOM 828 NH2 ARG A 48 0.635 -2.469 15.226 1.00 0.00 N ATOM 0 H ARG A 48 2.422 -0.201 8.336 1.00 0.00 H new ATOM 0 HA ARG A 48 0.531 -1.465 10.232 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.833 1.280 10.198 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.371 0.956 11.109 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.978 -0.563 11.500 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.517 0.843 12.440 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.380 -0.456 13.092 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.130 -1.870 12.379 1.00 0.00 H new ATOM 0 HE ARG A 48 3.028 -0.671 14.132 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.468 -1.428 16.158 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.300 -2.459 16.991 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.022 -2.432 14.447 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.404 -3.005 16.063 1.00 0.00 H new ATOM 842 N ILE A 49 -1.477 -0.405 9.141 1.00 0.00 N ATOM 843 CA ILE A 49 -2.683 0.251 8.621 1.00 0.00 C ATOM 844 C ILE A 49 -3.445 0.850 9.798 1.00 0.00 C ATOM 845 O ILE A 49 -3.824 0.141 10.733 1.00 0.00 O ATOM 846 CB ILE A 49 -3.522 -0.717 7.763 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.726 -1.063 6.486 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.897 -0.131 7.403 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.470 -1.950 5.485 1.00 0.00 C ATOM 0 H ILE A 49 -1.678 -1.160 9.797 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.418 1.062 7.943 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.712 -1.620 8.343 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.444 -0.135 5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.802 -1.563 6.776 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.451 -0.849 6.798 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.453 0.080 8.316 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.763 0.792 6.839 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.832 -2.139 4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.728 -2.897 5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.381 -1.447 5.160 1.00 0.00 H new ATOM 861 N THR A 50 -3.662 2.157 9.738 1.00 0.00 N ATOM 862 CA THR A 50 -4.350 2.981 10.743 1.00 0.00 C ATOM 863 C THR A 50 -5.545 3.699 10.112 1.00 0.00 C ATOM 864 O THR A 50 -5.657 3.765 8.888 1.00 0.00 O ATOM 865 CB THR A 50 -3.376 3.992 11.379 1.00 0.00 C ATOM 866 OG1 THR A 50 -2.572 4.581 10.388 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.420 3.353 12.385 1.00 0.00 C ATOM 0 H THR A 50 -3.346 2.711 8.942 1.00 0.00 H new ATOM 0 HA THR A 50 -4.719 2.327 11.533 1.00 0.00 H new ATOM 0 HB THR A 50 -4.005 4.721 11.890 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.462 5.536 10.580 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.761 4.117 12.797 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.993 2.895 13.191 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.823 2.590 11.886 1.00 0.00 H new ATOM 875 N SER A 51 -6.477 4.214 10.918 1.00 0.00 N ATOM 876 CA SER A 51 -7.704 4.852 10.425 1.00 0.00 C ATOM 877 C SER A 51 -8.266 5.941 11.342 1.00 0.00 C ATOM 878 O SER A 51 -8.561 5.728 12.517 1.00 0.00 O ATOM 879 CB SER A 51 -8.784 3.803 10.132 1.00 0.00 C ATOM 880 OG SER A 51 -9.169 3.104 11.304 1.00 0.00 O ATOM 0 H SER A 51 -6.403 4.201 11.935 1.00 0.00 H new ATOM 0 HA SER A 51 -7.412 5.356 9.504 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.656 4.291 9.696 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.412 3.095 9.392 1.00 0.00 H new ATOM 0 HG SER A 51 -9.027 3.676 12.087 1.00 0.00 H new ATOM 886 N LYS A 52 -8.452 7.132 10.781 1.00 0.00 N ATOM 887 CA LYS A 52 -9.218 8.241 11.349 1.00 0.00 C ATOM 888 C LYS A 52 -10.604 8.306 10.686 1.00 0.00 C ATOM 889 O LYS A 52 -10.822 8.992 9.685 1.00 0.00 O ATOM 890 CB LYS A 52 -8.393 9.517 11.192 1.00 0.00 C ATOM 891 CG LYS A 52 -8.975 10.671 12.011 1.00 0.00 C ATOM 892 CD LYS A 52 -8.593 12.020 11.399 1.00 0.00 C ATOM 893 CE LYS A 52 -7.090 12.289 11.386 1.00 0.00 C ATOM 894 NZ LYS A 52 -6.728 13.498 10.613 1.00 0.00 N ATOM 0 H LYS A 52 -8.053 7.363 9.871 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.406 8.103 12.414 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.367 9.328 11.507 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.356 9.800 10.140 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.060 10.581 12.054 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.609 10.615 13.036 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.969 12.064 10.377 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.090 12.814 11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.737 12.400 12.411 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.575 11.426 10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.697 13.631 10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.038 13.385 9.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.195 14.329 11.029 1.00 0.00 H new ATOM 908 N GLY A 53 -11.529 7.525 11.233 1.00 0.00 N ATOM 909 CA GLY A 53 -12.919 7.409 10.773 1.00 0.00 C ATOM 910 C GLY A 53 -13.017 6.745 9.396 1.00 0.00 C ATOM 911 O GLY A 53 -12.438 5.679 9.181 1.00 0.00 O ATOM 0 H GLY A 53 -11.330 6.932 12.038 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.492 6.829 11.496 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.370 8.400 10.730 1.00 0.00 H new ATOM 915 N LYS A 54 -13.700 7.399 8.445 1.00 0.00 N ATOM 916 CA LYS A 54 -13.748 7.015 7.015 1.00 0.00 C ATOM 917 C LYS A 54 -12.388 7.034 6.322 1.00 0.00 C ATOM 918 O LYS A 54 -12.238 6.454 5.250 1.00 0.00 O ATOM 919 CB LYS A 54 -14.800 7.894 6.306 1.00 0.00 C ATOM 920 CG LYS A 54 -15.077 7.503 4.843 1.00 0.00 C ATOM 921 CD LYS A 54 -16.147 8.414 4.228 1.00 0.00 C ATOM 922 CE LYS A 54 -16.384 8.156 2.731 1.00 0.00 C ATOM 923 NZ LYS A 54 -15.237 8.573 1.880 1.00 0.00 N ATOM 0 H LYS A 54 -14.251 8.233 8.648 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.048 5.969 6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.734 7.843 6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.467 8.932 6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.157 7.573 4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.406 6.465 4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.085 8.274 4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.851 9.454 4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.576 7.094 2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.279 8.691 2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.578 8.796 0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.787 9.415 2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.544 7.800 1.829 1.00 0.00 H new ATOM 937 N THR A 55 -11.374 7.627 6.942 1.00 0.00 N ATOM 938 CA THR A 55 -10.043 7.711 6.353 1.00 0.00 C ATOM 939 C THR A 55 -9.115 6.626 6.886 1.00 0.00 C ATOM 940 O THR A 55 -8.940 6.515 8.096 1.00 0.00 O ATOM 941 CB THR A 55 -9.424 9.092 6.583 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.377 10.139 6.531 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.448 9.340 5.441 1.00 0.00 C ATOM 0 H THR A 55 -11.451 8.061 7.862 1.00 0.00 H new ATOM 0 HA THR A 55 -10.162 7.554 5.281 1.00 0.00 H new ATOM 0 HB THR A 55 -8.964 9.092 7.571 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.929 10.997 6.686 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.982 10.318 5.566 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.678 8.568 5.446 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.984 9.312 4.492 1.00 0.00 H new ATOM 951 N ALA A 56 -8.485 5.854 6.001 1.00 0.00 N ATOM 952 CA ALA A 56 -7.371 4.958 6.311 1.00 0.00 C ATOM 953 C ALA A 56 -6.021 5.605 5.953 1.00 0.00 C ATOM 954 O ALA A 56 -5.946 6.505 5.116 1.00 0.00 O ATOM 955 CB ALA A 56 -7.569 3.616 5.597 1.00 0.00 C ATOM 0 H ALA A 56 -8.745 5.834 5.015 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.355 4.772 7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.736 2.953 5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.501 3.160 5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.610 3.779 4.520 1.00 0.00 H new ATOM 961 N TYR A 57 -4.942 5.125 6.564 1.00 0.00 N ATOM 962 CA TYR A 57 -3.577 5.568 6.325 1.00 0.00 C ATOM 963 C TYR A 57 -2.703 4.317 6.236 1.00 0.00 C ATOM 964 O TYR A 57 -2.589 3.550 7.197 1.00 0.00 O ATOM 965 CB TYR A 57 -3.124 6.514 7.449 1.00 0.00 C ATOM 966 CG TYR A 57 -3.919 7.806 7.552 1.00 0.00 C ATOM 967 CD1 TYR A 57 -5.141 7.829 8.254 1.00 0.00 C ATOM 968 CD2 TYR A 57 -3.447 8.979 6.932 1.00 0.00 C ATOM 969 CE1 TYR A 57 -5.922 8.997 8.280 1.00 0.00 C ATOM 970 CE2 TYR A 57 -4.210 10.164 6.991 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.457 10.172 7.652 1.00 0.00 C ATOM 972 OH TYR A 57 -6.203 11.312 7.685 1.00 0.00 O ATOM 0 H TYR A 57 -5.000 4.388 7.266 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.497 6.132 5.395 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.192 5.985 8.400 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.073 6.761 7.296 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.479 6.945 8.774 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.501 8.971 6.411 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.879 8.995 8.781 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.839 11.067 6.529 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.733 12.025 7.204 1.00 0.00 H new ATOM 982 N ILE A 58 -2.098 4.095 5.070 1.00 0.00 N ATOM 983 CA ILE A 58 -1.083 3.055 4.906 1.00 0.00 C ATOM 984 C ILE A 58 0.235 3.646 5.393 1.00 0.00 C ATOM 985 O ILE A 58 0.746 4.576 4.773 1.00 0.00 O ATOM 986 CB ILE A 58 -0.953 2.572 3.445 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.286 2.353 2.702 1.00 0.00 C ATOM 988 CG2 ILE A 58 -0.075 1.312 3.435 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.231 1.325 3.322 1.00 0.00 C ATOM 0 H ILE A 58 -2.295 4.625 4.221 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.368 2.175 5.482 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.486 3.377 2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.808 3.308 2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.064 2.045 1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.032 0.951 2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.908 1.551 3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.541 0.539 4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.136 1.252 2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.739 0.353 3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.494 1.636 4.333 1.00 0.00 H new ATOM 1001 N LYS A 59 0.772 3.133 6.497 1.00 0.00 N ATOM 1002 CA LYS A 59 2.074 3.522 7.064 1.00 0.00 C ATOM 1003 C LYS A 59 3.093 2.391 6.906 1.00 0.00 C ATOM 1004 O LYS A 59 2.863 1.269 7.356 1.00 0.00 O ATOM 1005 CB LYS A 59 1.879 3.942 8.528 1.00 0.00 C ATOM 1006 CG LYS A 59 1.344 5.380 8.603 1.00 0.00 C ATOM 1007 CD LYS A 59 0.994 5.775 10.042 1.00 0.00 C ATOM 1008 CE LYS A 59 1.024 7.294 10.234 1.00 0.00 C ATOM 1009 NZ LYS A 59 -0.060 7.978 9.495 1.00 0.00 N ATOM 0 H LYS A 59 0.303 2.411 7.044 1.00 0.00 H new ATOM 0 HA LYS A 59 2.478 4.376 6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.183 3.262 9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.826 3.871 9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.091 6.068 8.207 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.459 5.473 7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.003 5.396 10.293 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.698 5.307 10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.938 7.525 11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.987 7.681 9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.351 8.570 8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.691 7.269 9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.603 8.577 10.150 1.00 0.00 H new ATOM 1023 N LEU A 60 4.232 2.676 6.277 1.00 0.00 N ATOM 1024 CA LEU A 60 5.321 1.715 6.078 1.00 0.00 C ATOM 1025 C LEU A 60 6.480 2.037 7.027 1.00 0.00 C ATOM 1026 O LEU A 60 6.910 3.186 7.122 1.00 0.00 O ATOM 1027 CB LEU A 60 5.746 1.730 4.601 1.00 0.00 C ATOM 1028 CG LEU A 60 4.677 1.195 3.627 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.115 1.474 2.193 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.465 -0.315 3.771 1.00 0.00 C ATOM 0 H LEU A 60 4.430 3.596 5.884 1.00 0.00 H new ATOM 0 HA LEU A 60 4.986 0.705 6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.999 2.752 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.652 1.135 4.490 1.00 0.00 H new ATOM 0 HG LEU A 60 3.742 1.702 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.361 1.097 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.232 2.548 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.065 0.977 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.703 -0.644 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.400 -0.835 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.140 -0.542 4.787 1.00 0.00 H new ATOM 1042 N GLU A 61 6.981 1.028 7.733 1.00 0.00 N ATOM 1043 CA GLU A 61 7.926 1.153 8.850 1.00 0.00 C ATOM 1044 C GLU A 61 9.179 0.288 8.630 1.00 0.00 C ATOM 1045 O GLU A 61 9.093 -0.761 7.994 1.00 0.00 O ATOM 1046 CB GLU A 61 7.238 0.727 10.154 1.00 0.00 C ATOM 1047 CG GLU A 61 5.984 1.532 10.522 1.00 0.00 C ATOM 1048 CD GLU A 61 5.474 1.151 11.926 1.00 0.00 C ATOM 1049 OE1 GLU A 61 5.544 -0.045 12.301 1.00 0.00 O ATOM 1050 OE2 GLU A 61 4.986 2.042 12.662 1.00 0.00 O ATOM 0 H GLU A 61 6.732 0.058 7.538 1.00 0.00 H new ATOM 0 HA GLU A 61 8.239 2.195 8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.965 -0.325 10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.956 0.810 10.970 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.210 2.598 10.490 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.202 1.350 9.785 1.00 0.00 H new ATOM 1057 N ASP A 62 10.351 0.668 9.151 1.00 0.00 N ATOM 1058 CA ASP A 62 11.579 -0.096 8.931 1.00 0.00 C ATOM 1059 C ASP A 62 11.634 -1.372 9.797 1.00 0.00 C ATOM 1060 O ASP A 62 11.069 -1.436 10.893 1.00 0.00 O ATOM 1061 CB ASP A 62 12.812 0.809 9.081 1.00 0.00 C ATOM 1062 CG ASP A 62 13.397 0.775 10.491 1.00 0.00 C ATOM 1063 OD1 ASP A 62 13.015 1.609 11.336 1.00 0.00 O ATOM 1064 OD2 ASP A 62 14.207 -0.134 10.764 1.00 0.00 O ATOM 0 H ASP A 62 10.473 1.500 9.728 1.00 0.00 H new ATOM 0 HA ASP A 62 11.581 -0.457 7.903 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.575 0.498 8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.539 1.834 8.830 1.00 0.00 H new ATOM 1069 N LYS A 63 12.348 -2.390 9.306 1.00 0.00 N ATOM 1070 CA LYS A 63 12.398 -3.747 9.883 1.00 0.00 C ATOM 1071 C LYS A 63 13.145 -3.839 11.229 1.00 0.00 C ATOM 1072 O LYS A 63 13.078 -4.873 11.897 1.00 0.00 O ATOM 1073 CB LYS A 63 13.029 -4.674 8.823 1.00 0.00 C ATOM 1074 CG LYS A 63 12.720 -6.166 9.031 1.00 0.00 C ATOM 1075 CD LYS A 63 12.976 -6.981 7.752 1.00 0.00 C ATOM 1076 CE LYS A 63 11.816 -6.836 6.753 1.00 0.00 C ATOM 1077 NZ LYS A 63 12.117 -7.506 5.464 1.00 0.00 N ATOM 0 H LYS A 63 12.926 -2.295 8.471 1.00 0.00 H new ATOM 0 HA LYS A 63 11.381 -4.054 10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.675 -4.375 7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.110 -4.533 8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.336 -6.556 9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.680 -6.284 9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.903 -6.648 7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.108 -8.032 8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.910 -7.263 7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.617 -5.779 6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.283 -8.042 5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.360 -6.791 4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.919 -8.156 5.590 1.00 0.00 H new ATOM 1091 N VAL A 64 13.861 -2.784 11.627 1.00 0.00 N ATOM 1092 CA VAL A 64 14.815 -2.758 12.748 1.00 0.00 C ATOM 1093 C VAL A 64 14.324 -1.862 13.883 1.00 0.00 C ATOM 1094 O VAL A 64 14.397 -2.269 15.045 1.00 0.00 O ATOM 1095 CB VAL A 64 16.211 -2.287 12.276 1.00 0.00 C ATOM 1096 CG1 VAL A 64 17.281 -2.613 13.323 1.00 0.00 C ATOM 1097 CG2 VAL A 64 16.634 -2.920 10.942 1.00 0.00 C ATOM 0 H VAL A 64 13.791 -1.881 11.157 1.00 0.00 H new ATOM 0 HA VAL A 64 14.893 -3.778 13.125 1.00 0.00 H new ATOM 0 HB VAL A 64 16.128 -1.209 12.137 1.00 0.00 H new ATOM 0 HG11 VAL A 64 18.253 -2.272 12.968 1.00 0.00 H new ATOM 0 HG12 VAL A 64 17.040 -2.109 14.259 1.00 0.00 H new ATOM 0 HG13 VAL A 64 17.312 -3.690 13.488 1.00 0.00 H new ATOM 0 HG21 VAL A 64 17.621 -2.552 10.662 1.00 0.00 H new ATOM 0 HG22 VAL A 64 16.667 -4.004 11.048 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.914 -2.653 10.168 1.00 0.00 H new ATOM 1107 N SER A 65 13.787 -0.679 13.560 1.00 0.00 N ATOM 1108 CA SER A 65 13.410 0.335 14.555 1.00 0.00 C ATOM 1109 C SER A 65 11.956 0.815 14.447 1.00 0.00 C ATOM 1110 O SER A 65 11.479 1.518 15.341 1.00 0.00 O ATOM 1111 CB SER A 65 14.369 1.533 14.495 1.00 0.00 C ATOM 1112 OG SER A 65 15.706 1.127 14.769 1.00 0.00 O ATOM 0 H SER A 65 13.601 -0.396 12.598 1.00 0.00 H new ATOM 0 HA SER A 65 13.492 -0.161 15.522 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.320 1.995 13.509 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.059 2.289 15.217 1.00 0.00 H new ATOM 0 HG SER A 65 16.300 1.905 14.724 1.00 0.00 H new ATOM 1118 N GLY A 66 11.226 0.428 13.395 1.00 0.00 N ATOM 1119 CA GLY A 66 9.836 0.830 13.177 1.00 0.00 C ATOM 1120 C GLY A 66 9.661 2.292 12.733 1.00 0.00 C ATOM 1121 O GLY A 66 8.563 2.836 12.852 1.00 0.00 O ATOM 0 H GLY A 66 11.591 -0.181 12.663 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.396 0.178 12.422 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.276 0.673 14.099 1.00 0.00 H new ATOM 1125 N GLU A 67 10.718 2.948 12.246 1.00 0.00 N ATOM 1126 CA GLU A 67 10.678 4.340 11.775 1.00 0.00 C ATOM 1127 C GLU A 67 10.016 4.449 10.397 1.00 0.00 C ATOM 1128 O GLU A 67 10.086 3.528 9.582 1.00 0.00 O ATOM 1129 CB GLU A 67 12.084 4.956 11.725 1.00 0.00 C ATOM 1130 CG GLU A 67 12.699 5.166 13.111 1.00 0.00 C ATOM 1131 CD GLU A 67 11.995 6.292 13.896 1.00 0.00 C ATOM 1132 OE1 GLU A 67 11.140 5.997 14.765 1.00 0.00 O ATOM 1133 OE2 GLU A 67 12.297 7.486 13.652 1.00 0.00 O ATOM 0 H GLU A 67 11.641 2.522 12.166 1.00 0.00 H new ATOM 0 HA GLU A 67 10.078 4.898 12.494 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.737 4.309 11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.036 5.914 11.207 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.638 4.237 13.678 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.757 5.406 13.005 1.00 0.00 H new ATOM 1140 N LEU A 68 9.373 5.588 10.134 1.00 0.00 N ATOM 1141 CA LEU A 68 8.512 5.760 8.957 1.00 0.00 C ATOM 1142 C LEU A 68 9.329 5.877 7.653 1.00 0.00 C ATOM 1143 O LEU A 68 10.135 6.795 7.486 1.00 0.00 O ATOM 1144 CB LEU A 68 7.571 6.964 9.169 1.00 0.00 C ATOM 1145 CG LEU A 68 6.412 7.022 8.152 1.00 0.00 C ATOM 1146 CD1 LEU A 68 5.312 6.008 8.477 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.772 8.409 8.156 1.00 0.00 C ATOM 0 H LEU A 68 9.432 6.416 10.727 1.00 0.00 H new ATOM 0 HA LEU A 68 7.900 4.865 8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.158 6.920 10.177 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.150 7.885 9.102 1.00 0.00 H new ATOM 0 HG LEU A 68 6.843 6.790 7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.517 6.084 7.736 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.729 5.001 8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.906 6.216 9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.956 8.435 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.383 8.628 9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.519 9.155 7.886 1.00 0.00 H new ATOM 1159 N PHE A 69 9.070 4.970 6.709 1.00 0.00 N ATOM 1160 CA PHE A 69 9.575 5.001 5.333 1.00 0.00 C ATOM 1161 C PHE A 69 8.695 5.886 4.437 1.00 0.00 C ATOM 1162 O PHE A 69 9.196 6.803 3.782 1.00 0.00 O ATOM 1163 CB PHE A 69 9.646 3.558 4.811 1.00 0.00 C ATOM 1164 CG PHE A 69 9.854 3.424 3.312 1.00 0.00 C ATOM 1165 CD1 PHE A 69 10.942 4.056 2.682 1.00 0.00 C ATOM 1166 CD2 PHE A 69 8.958 2.657 2.543 1.00 0.00 C ATOM 1167 CE1 PHE A 69 11.126 3.931 1.294 1.00 0.00 C ATOM 1168 CE2 PHE A 69 9.157 2.510 1.160 1.00 0.00 C ATOM 1169 CZ PHE A 69 10.234 3.155 0.529 1.00 0.00 C ATOM 0 H PHE A 69 8.478 4.159 6.889 1.00 0.00 H new ATOM 0 HA PHE A 69 10.572 5.441 5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.459 3.043 5.322 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.723 3.045 5.081 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.638 4.639 3.267 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.114 2.180 3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.954 4.431 0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.480 1.900 0.580 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.377 3.056 -0.537 1.00 0.00 H new ATOM 1179 N ALA A 70 7.382 5.635 4.440 1.00 0.00 N ATOM 1180 CA ALA A 70 6.384 6.389 3.683 1.00 0.00 C ATOM 1181 C ALA A 70 4.986 6.265 4.311 1.00 0.00 C ATOM 1182 O ALA A 70 4.720 5.335 5.078 1.00 0.00 O ATOM 1183 CB ALA A 70 6.358 5.875 2.237 1.00 0.00 C ATOM 0 H ALA A 70 6.974 4.877 4.987 1.00 0.00 H new ATOM 0 HA ALA A 70 6.660 7.443 3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.616 6.433 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.341 6.011 1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.099 4.816 2.232 1.00 0.00 H new ATOM 1189 N GLN A 71 4.078 7.174 3.939 1.00 0.00 N ATOM 1190 CA GLN A 71 2.656 7.080 4.275 1.00 0.00 C ATOM 1191 C GLN A 71 1.736 7.533 3.129 1.00 0.00 C ATOM 1192 O GLN A 71 2.047 8.500 2.430 1.00 0.00 O ATOM 1193 CB GLN A 71 2.346 7.817 5.590 1.00 0.00 C ATOM 1194 CG GLN A 71 2.671 9.323 5.576 1.00 0.00 C ATOM 1195 CD GLN A 71 2.361 10.003 6.909 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.532 9.565 7.695 1.00 0.00 O ATOM 1197 NE2 GLN A 71 3.008 11.107 7.218 1.00 0.00 N ATOM 0 H GLN A 71 4.313 8.002 3.392 1.00 0.00 H new ATOM 0 HA GLN A 71 2.439 6.023 4.427 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.289 7.690 5.822 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.908 7.345 6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.726 9.461 5.338 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.100 9.807 4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.703 11.488 6.576 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.814 11.582 8.100 1.00 0.00 H new ATOM 1206 N ALA A 72 0.602 6.846 2.957 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.428 7.133 1.951 1.00 0.00 C ATOM 1208 C ALA A 72 -1.828 7.282 2.597 1.00 0.00 C ATOM 1209 O ALA A 72 -2.303 6.318 3.209 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.461 5.994 0.926 1.00 0.00 C ATOM 0 H ALA A 72 0.366 6.042 3.538 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.177 8.076 1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.224 6.201 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.512 5.913 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.694 5.057 1.431 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.520 8.430 2.460 1.00 0.00 N ATOM 1217 CA PRO A 73 -3.894 8.604 2.936 1.00 0.00 C ATOM 1218 C PRO A 73 -4.920 8.053 1.926 1.00 0.00 C ATOM 1219 O PRO A 73 -4.896 8.415 0.749 1.00 0.00 O ATOM 1220 CB PRO A 73 -4.041 10.114 3.146 1.00 0.00 C ATOM 1221 CG PRO A 73 -3.127 10.715 2.075 1.00 0.00 C ATOM 1222 CD PRO A 73 -1.999 9.688 1.939 1.00 0.00 C ATOM 0 HA PRO A 73 -4.086 8.049 3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.074 10.438 3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.734 10.411 4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.655 10.856 1.132 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.746 11.691 2.376 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.696 9.581 0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.117 10.004 2.497 1.00 0.00 H new ATOM 1230 N VAL A 74 -5.846 7.205 2.383 1.00 0.00 N ATOM 1231 CA VAL A 74 -6.896 6.539 1.584 1.00 0.00 C ATOM 1232 C VAL A 74 -8.279 6.909 2.138 1.00 0.00 C ATOM 1233 O VAL A 74 -8.538 6.712 3.322 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.715 4.998 1.602 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -7.771 4.294 0.744 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -5.335 4.493 1.158 1.00 0.00 C ATOM 0 H VAL A 74 -5.892 6.947 3.369 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.813 6.880 0.552 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.829 4.747 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.611 3.216 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.765 4.527 1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.689 4.637 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.313 3.404 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.142 4.814 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.569 4.901 1.817 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.206 7.390 1.299 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.592 7.708 1.708 1.00 0.00 C ATOM 1248 C GLU A 75 -11.667 6.975 0.874 1.00 0.00 C ATOM 1249 O GLU A 75 -12.865 7.240 1.013 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.813 9.233 1.721 1.00 0.00 C ATOM 1251 CG GLU A 75 -11.785 9.655 2.836 1.00 0.00 C ATOM 1252 CD GLU A 75 -12.530 10.957 2.494 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -11.898 12.041 2.440 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -13.766 10.893 2.279 1.00 0.00 O ATOM 0 H GLU A 75 -9.021 7.572 0.313 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.715 7.330 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.857 9.738 1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.205 9.553 0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.509 8.858 3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.233 9.788 3.766 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.246 6.049 0.007 1.00 0.00 N ATOM 1262 CA GLN A 76 -12.085 5.157 -0.789 1.00 0.00 C ATOM 1263 C GLN A 76 -11.290 3.903 -1.198 1.00 0.00 C ATOM 1264 O GLN A 76 -10.093 4.004 -1.488 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.654 5.898 -2.019 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.685 6.208 -3.178 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.525 7.139 -2.824 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.614 8.356 -2.918 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.384 6.612 -2.424 1.00 0.00 N ATOM 0 H GLN A 76 -10.253 5.896 -0.166 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.931 4.833 -0.183 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.476 5.304 -2.418 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.080 6.841 -1.676 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.276 5.269 -3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.252 6.654 -3.995 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.292 5.600 -2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.594 7.217 -2.199 1.00 0.00 H new ATOM 1278 N TYR A 77 -11.948 2.746 -1.268 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.339 1.478 -1.688 1.00 0.00 C ATOM 1280 C TYR A 77 -12.168 0.721 -2.750 1.00 0.00 C ATOM 1281 O TYR A 77 -13.352 0.460 -2.507 1.00 0.00 O ATOM 1282 CB TYR A 77 -11.078 0.582 -0.469 1.00 0.00 C ATOM 1283 CG TYR A 77 -10.231 -0.618 -0.817 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -8.888 -0.364 -1.098 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -10.733 -1.929 -0.919 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -8.028 -1.382 -1.529 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -9.872 -2.967 -1.331 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.520 -2.698 -1.645 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.706 -3.701 -2.067 1.00 0.00 O ATOM 0 H TYR A 77 -12.936 2.659 -1.031 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.392 1.732 -2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.581 1.163 0.308 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -12.029 0.246 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.504 0.638 -0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -11.766 -2.138 -0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.999 -1.161 -1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.249 -3.976 -1.407 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.137 -4.565 -1.898 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.567 0.319 -3.892 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.269 0.778 -4.412 1.00 0.00 C ATOM 1301 C PRO A 78 -10.305 2.270 -4.809 1.00 0.00 C ATOM 1302 O PRO A 78 -11.376 2.873 -4.920 1.00 0.00 O ATOM 1303 CB PRO A 78 -9.984 -0.123 -5.618 1.00 0.00 C ATOM 1304 CG PRO A 78 -11.380 -0.435 -6.151 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.212 -0.543 -4.874 1.00 0.00 C ATOM 0 HA PRO A 78 -9.485 0.706 -3.659 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.371 0.383 -6.364 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.451 -1.029 -5.328 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.748 0.353 -6.808 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.397 -1.362 -6.724 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.240 -0.228 -5.052 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.251 -1.574 -4.521 1.00 0.00 H new ATOM 1313 N GLY A 79 -9.136 2.874 -5.033 1.00 0.00 N ATOM 1314 CA GLY A 79 -9.008 4.267 -5.483 1.00 0.00 C ATOM 1315 C GLY A 79 -7.635 4.599 -6.080 1.00 0.00 C ATOM 1316 O GLY A 79 -6.916 3.717 -6.543 1.00 0.00 O ATOM 0 H GLY A 79 -8.239 2.406 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.777 4.471 -6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.198 4.931 -4.639 1.00 0.00 H new ATOM 1320 N ILE A 80 -7.247 5.879 -6.047 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.901 6.322 -6.451 1.00 0.00 C ATOM 1322 C ILE A 80 -4.871 6.055 -5.351 1.00 0.00 C ATOM 1323 O ILE A 80 -3.697 5.822 -5.636 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.930 7.810 -6.873 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.611 8.330 -7.486 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -6.286 8.757 -5.709 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -4.089 7.518 -8.676 1.00 0.00 C ATOM 0 H ILE A 80 -7.854 6.639 -5.740 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.590 5.737 -7.316 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.707 7.824 -7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.758 9.362 -7.805 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.846 8.342 -6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.291 9.787 -6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.273 8.503 -5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.547 8.652 -4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.160 7.959 -9.038 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.905 6.490 -8.363 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.830 7.526 -9.475 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.312 6.064 -4.087 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.416 5.902 -2.957 1.00 0.00 C ATOM 1341 C ALA A 81 -4.054 4.448 -2.667 1.00 0.00 C ATOM 1342 O ALA A 81 -2.997 4.218 -2.091 1.00 0.00 O ATOM 1343 CB ALA A 81 -4.972 6.611 -1.733 1.00 0.00 C ATOM 0 H ALA A 81 -6.292 6.183 -3.830 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.473 6.375 -3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.288 6.480 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.083 7.674 -1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.944 6.189 -1.478 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.875 3.479 -3.082 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.540 2.056 -3.095 1.00 0.00 C ATOM 1351 C VAL A 82 -5.235 1.374 -4.289 1.00 0.00 C ATOM 1352 O VAL A 82 -6.442 1.515 -4.494 1.00 0.00 O ATOM 1353 CB VAL A 82 -4.893 1.440 -1.738 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.342 1.691 -1.367 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.509 -0.039 -1.715 1.00 0.00 C ATOM 0 H VAL A 82 -5.816 3.670 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.470 1.905 -3.236 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.307 1.935 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.553 1.238 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.523 2.765 -1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.993 1.251 -2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.765 -0.466 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.051 -0.568 -2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.437 -0.139 -1.884 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.465 0.640 -5.088 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.895 -0.045 -6.316 1.00 0.00 C ATOM 1367 C GLU A 83 -4.275 -1.444 -6.424 1.00 0.00 C ATOM 1368 O GLU A 83 -3.174 -1.679 -5.921 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.521 0.807 -7.547 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.717 1.107 -8.456 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.167 -0.131 -9.253 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.875 -0.992 -8.677 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -5.803 -0.254 -10.446 1.00 0.00 O ATOM 0 H GLU A 83 -3.474 0.496 -4.892 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.977 -0.167 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.083 1.747 -7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.756 0.286 -8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.548 1.470 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.453 1.907 -9.148 1.00 0.00 H new ATOM 1380 N THR A 84 -4.940 -2.366 -7.123 1.00 0.00 N ATOM 1381 CA THR A 84 -4.461 -3.737 -7.329 1.00 0.00 C ATOM 1382 C THR A 84 -4.050 -3.912 -8.782 1.00 0.00 C ATOM 1383 O THR A 84 -4.801 -4.409 -9.616 1.00 0.00 O ATOM 1384 CB THR A 84 -5.492 -4.794 -6.945 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.152 -4.495 -5.731 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.822 -6.149 -6.775 1.00 0.00 C ATOM 0 H THR A 84 -5.839 -2.180 -7.568 1.00 0.00 H new ATOM 0 HA THR A 84 -3.605 -3.885 -6.670 1.00 0.00 H new ATOM 0 HB THR A 84 -6.223 -4.809 -7.754 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.519 -4.571 -4.987 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.570 -6.893 -6.501 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.347 -6.440 -7.712 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.068 -6.086 -5.990 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.822 -3.478 -9.039 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.921 -3.824 -10.156 1.00 0.00 C ATOM 1396 C VAL A 85 -2.568 -4.155 -11.505 1.00 0.00 C ATOM 1397 O VAL A 85 -2.511 -3.341 -12.429 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.911 -4.908 -9.730 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.216 -4.217 -8.961 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.489 -6.021 -8.847 1.00 0.00 C ATOM 0 H VAL A 85 -2.378 -2.806 -8.413 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.405 -2.887 -10.365 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.575 -5.397 -10.644 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.949 -4.959 -8.645 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.698 -3.482 -9.605 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.195 -3.717 -8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.703 -6.735 -8.600 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.887 -5.588 -7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.288 -6.533 -9.383 1.00 0.00 H new ATOM 1410 N THR A 86 -3.157 -5.341 -11.616 1.00 0.00 N ATOM 1411 CA THR A 86 -4.186 -5.673 -12.608 1.00 0.00 C ATOM 1412 C THR A 86 -5.356 -6.411 -11.974 1.00 0.00 C ATOM 1413 O THR A 86 -6.510 -6.016 -12.143 1.00 0.00 O ATOM 1414 CB THR A 86 -3.654 -6.550 -13.747 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.836 -7.585 -13.251 1.00 0.00 O ATOM 1416 CG2 THR A 86 -2.810 -5.736 -14.711 1.00 0.00 C ATOM 0 H THR A 86 -2.928 -6.124 -11.003 1.00 0.00 H new ATOM 0 HA THR A 86 -4.509 -4.713 -13.012 1.00 0.00 H new ATOM 0 HB THR A 86 -4.526 -6.963 -14.255 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.511 -8.131 -13.997 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.445 -6.382 -15.510 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.415 -4.937 -15.139 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.963 -5.304 -14.178 1.00 0.00 H new ATOM 1424 N ASP A 87 -5.048 -7.488 -11.251 1.00 0.00 N ATOM 1425 CA ASP A 87 -6.058 -8.432 -10.752 1.00 0.00 C ATOM 1426 C ASP A 87 -5.691 -9.052 -9.396 1.00 0.00 C ATOM 1427 O ASP A 87 -6.316 -8.718 -8.388 1.00 0.00 O ATOM 1428 CB ASP A 87 -6.338 -9.500 -11.822 1.00 0.00 C ATOM 1429 CG ASP A 87 -7.430 -9.071 -12.816 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -8.619 -9.030 -12.419 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -7.114 -8.818 -14.004 1.00 0.00 O ATOM 0 H ASP A 87 -4.092 -7.734 -10.993 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.973 -7.871 -10.565 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.418 -9.712 -12.368 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.640 -10.427 -11.334 1.00 0.00 H new ATOM 1436 N SER A 88 -4.685 -9.929 -9.347 1.00 0.00 N ATOM 1437 CA SER A 88 -4.191 -10.526 -8.094 1.00 0.00 C ATOM 1438 C SER A 88 -3.851 -9.536 -6.992 1.00 0.00 C ATOM 1439 O SER A 88 -2.956 -8.694 -7.103 1.00 0.00 O ATOM 1440 CB SER A 88 -2.931 -11.344 -8.303 1.00 0.00 C ATOM 1441 OG SER A 88 -2.782 -12.284 -7.273 1.00 0.00 O ATOM 0 H SER A 88 -4.185 -10.249 -10.176 1.00 0.00 H new ATOM 0 HA SER A 88 -5.039 -11.136 -7.783 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.976 -11.854 -9.265 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.063 -10.686 -8.331 1.00 0.00 H new ATOM 0 HG SER A 88 -1.966 -12.806 -7.422 1.00 0.00 H new ATOM 1447 N SER A 89 -4.489 -9.744 -5.854 1.00 0.00 N ATOM 1448 CA SER A 89 -4.237 -9.035 -4.613 1.00 0.00 C ATOM 1449 C SER A 89 -3.095 -9.697 -3.835 1.00 0.00 C ATOM 1450 O SER A 89 -3.240 -10.289 -2.765 1.00 0.00 O ATOM 1451 CB SER A 89 -5.586 -8.854 -3.952 1.00 0.00 C ATOM 1452 OG SER A 89 -6.268 -10.088 -3.754 1.00 0.00 O ATOM 0 H SER A 89 -5.228 -10.441 -5.766 1.00 0.00 H new ATOM 0 HA SER A 89 -3.835 -8.028 -4.726 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.452 -8.359 -2.990 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.202 -8.197 -4.566 1.00 0.00 H new ATOM 0 HG SER A 89 -7.132 -9.919 -3.323 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.942 -9.614 -4.504 1.00 0.00 N ATOM 1459 CA ARG A 90 -0.610 -10.186 -4.231 1.00 0.00 C ATOM 1460 C ARG A 90 0.462 -9.087 -4.249 1.00 0.00 C ATOM 1461 O ARG A 90 1.411 -9.105 -3.465 1.00 0.00 O ATOM 1462 CB ARG A 90 -0.376 -11.222 -5.336 1.00 0.00 C ATOM 1463 CG ARG A 90 1.005 -11.885 -5.368 1.00 0.00 C ATOM 1464 CD ARG A 90 0.963 -12.878 -6.532 1.00 0.00 C ATOM 1465 NE ARG A 90 2.216 -13.624 -6.712 1.00 0.00 N ATOM 1466 CZ ARG A 90 2.319 -14.727 -7.434 1.00 0.00 C ATOM 1467 NH1 ARG A 90 3.445 -15.381 -7.476 1.00 0.00 N ATOM 1468 NH2 ARG A 90 1.315 -15.214 -8.102 1.00 0.00 N ATOM 0 H ARG A 90 -1.912 -9.072 -5.367 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.554 -10.646 -3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.128 -12.004 -5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.545 -10.739 -6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.791 -11.144 -5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.217 -12.394 -4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.149 -13.584 -6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.735 -12.338 -7.451 1.00 0.00 H new ATOM 0 HE ARG A 90 3.056 -13.270 -6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.251 -15.043 -6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.520 -16.231 -8.034 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.411 -14.743 -8.080 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.432 -16.067 -8.648 1.00 0.00 H new ATOM 1482 N TYR A 91 0.238 -8.104 -5.117 1.00 0.00 N ATOM 1483 CA TYR A 91 0.914 -6.815 -5.194 1.00 0.00 C ATOM 1484 C TYR A 91 -0.136 -5.698 -5.175 1.00 0.00 C ATOM 1485 O TYR A 91 -1.316 -5.942 -5.435 1.00 0.00 O ATOM 1486 CB TYR A 91 1.728 -6.734 -6.493 1.00 0.00 C ATOM 1487 CG TYR A 91 2.552 -7.957 -6.822 1.00 0.00 C ATOM 1488 CD1 TYR A 91 2.014 -8.922 -7.690 1.00 0.00 C ATOM 1489 CD2 TYR A 91 3.831 -8.134 -6.268 1.00 0.00 C ATOM 1490 CE1 TYR A 91 2.744 -10.073 -8.020 1.00 0.00 C ATOM 1491 CE2 TYR A 91 4.549 -9.314 -6.549 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.007 -10.291 -7.415 1.00 0.00 C ATOM 1493 OH TYR A 91 4.713 -11.432 -7.639 1.00 0.00 O ATOM 0 H TYR A 91 -0.476 -8.197 -5.840 1.00 0.00 H new ATOM 0 HA TYR A 91 1.587 -6.703 -4.344 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.043 -6.546 -7.319 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.395 -5.874 -6.430 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.029 -8.776 -8.107 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.260 -7.373 -5.633 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.348 -10.786 -8.728 1.00 0.00 H new ATOM 0 HE2 TYR A 91 5.518 -9.473 -6.100 1.00 0.00 H new ATOM 0 HH TYR A 91 5.555 -11.399 -7.139 1.00 0.00 H new ATOM 1503 N PHE A 92 0.301 -4.469 -4.916 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.536 -3.265 -4.939 1.00 0.00 C ATOM 1505 C PHE A 92 0.257 -2.071 -5.461 1.00 0.00 C ATOM 1506 O PHE A 92 1.475 -2.145 -5.625 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.074 -2.975 -3.528 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.934 -4.094 -2.988 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -3.273 -4.226 -3.403 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.368 -5.046 -2.122 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -4.045 -5.314 -2.960 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.144 -6.122 -1.672 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.478 -6.266 -2.096 1.00 0.00 C ATOM 0 H PHE A 92 1.273 -4.274 -4.677 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.377 -3.436 -5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.236 -2.808 -2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.655 -2.053 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.708 -3.490 -4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.340 -4.948 -1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.070 -5.418 -3.283 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.715 -6.846 -0.995 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.065 -7.107 -1.758 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.426 -0.952 -5.675 1.00 0.00 N ATOM 1524 CA VAL A 93 0.181 0.375 -5.800 1.00 0.00 C ATOM 1525 C VAL A 93 -0.513 1.321 -4.831 1.00 0.00 C ATOM 1526 O VAL A 93 -1.739 1.296 -4.747 1.00 0.00 O ATOM 1527 CB VAL A 93 0.102 0.904 -7.241 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.725 2.300 -7.346 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.831 -0.048 -8.196 1.00 0.00 C ATOM 0 H VAL A 93 -1.442 -0.938 -5.769 1.00 0.00 H new ATOM 0 HA VAL A 93 1.240 0.306 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.950 0.965 -7.518 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.657 2.652 -8.375 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.190 2.987 -6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.772 2.255 -7.047 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.768 0.338 -9.213 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.878 -0.127 -7.902 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.367 -1.033 -8.152 1.00 0.00 H new ATOM 1539 N ILE A 94 0.243 2.161 -4.121 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.313 3.217 -3.265 1.00 0.00 C ATOM 1541 C ILE A 94 0.285 4.593 -3.590 1.00 0.00 C ATOM 1542 O ILE A 94 1.450 4.704 -3.980 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.232 2.867 -1.754 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.223 2.798 -1.259 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.936 1.533 -1.448 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.331 2.669 0.261 1.00 0.00 C ATOM 0 H ILE A 94 1.263 2.130 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.376 3.279 -3.496 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.743 3.671 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.720 1.948 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.753 3.694 -1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.861 1.318 -0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.986 1.603 -1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.460 0.732 -2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.381 2.625 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.861 3.532 0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.827 1.758 0.586 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.519 5.649 -3.411 1.00 0.00 N ATOM 1559 CA ARG A 95 -0.105 7.057 -3.555 1.00 0.00 C ATOM 1560 C ARG A 95 0.341 7.584 -2.194 1.00 0.00 C ATOM 1561 O ARG A 95 -0.489 7.959 -1.369 1.00 0.00 O ATOM 1562 CB ARG A 95 -1.241 7.876 -4.201 1.00 0.00 C ATOM 1563 CG ARG A 95 -0.910 9.347 -4.519 1.00 0.00 C ATOM 1564 CD ARG A 95 -1.066 10.241 -3.281 1.00 0.00 C ATOM 1565 NE ARG A 95 -1.035 11.679 -3.599 1.00 0.00 N ATOM 1566 CZ ARG A 95 -2.011 12.443 -4.051 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -1.780 13.707 -4.242 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -3.205 11.988 -4.313 1.00 0.00 N ATOM 0 H ARG A 95 -1.501 5.549 -3.155 1.00 0.00 H new ATOM 0 HA ARG A 95 0.748 7.149 -4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.539 7.382 -5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.104 7.853 -3.535 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.111 9.418 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.566 9.705 -5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.008 10.005 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.268 10.014 -2.574 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.140 12.146 -3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.857 14.092 -4.043 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.522 14.314 -4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.417 11.001 -4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.926 12.620 -4.661 1.00 0.00 H new ATOM 1582 N ILE A 96 1.648 7.615 -1.966 1.00 0.00 N ATOM 1583 CA ILE A 96 2.269 8.188 -0.766 1.00 0.00 C ATOM 1584 C ILE A 96 2.505 9.696 -0.919 1.00 0.00 C ATOM 1585 O ILE A 96 2.502 10.231 -2.031 1.00 0.00 O ATOM 1586 CB ILE A 96 3.577 7.447 -0.400 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.615 7.506 -1.539 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.282 5.993 0.002 1.00 0.00 C ATOM 1589 CD1 ILE A 96 6.033 7.189 -1.071 1.00 0.00 C ATOM 0 H ILE A 96 2.328 7.234 -2.624 1.00 0.00 H new ATOM 0 HA ILE A 96 1.571 8.050 0.059 1.00 0.00 H new ATOM 0 HB ILE A 96 4.014 7.961 0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.330 6.801 -2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.600 8.500 -1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.215 5.489 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.617 5.982 0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.805 5.475 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.717 7.247 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.335 7.909 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.061 6.184 -0.650 1.00 0.00 H new ATOM 1601 N GLN A 97 2.789 10.373 0.194 1.00 0.00 N ATOM 1602 CA GLN A 97 3.491 11.660 0.183 1.00 0.00 C ATOM 1603 C GLN A 97 4.964 11.515 0.578 1.00 0.00 C ATOM 1604 O GLN A 97 5.315 10.676 1.410 1.00 0.00 O ATOM 1605 CB GLN A 97 2.769 12.706 1.042 1.00 0.00 C ATOM 1606 CG GLN A 97 1.537 13.265 0.313 1.00 0.00 C ATOM 1607 CD GLN A 97 1.227 14.692 0.747 1.00 0.00 C ATOM 1608 OE1 GLN A 97 0.284 14.973 1.474 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.029 15.647 0.317 1.00 0.00 N ATOM 0 H GLN A 97 2.540 10.047 1.128 1.00 0.00 H new ATOM 0 HA GLN A 97 3.476 12.022 -0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.464 12.257 1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.454 13.519 1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.708 13.241 -0.763 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.675 12.628 0.513 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.816 15.417 -0.289 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.862 16.615 0.591 1.00 0.00 H new ATOM 1682 N SER A 103 3.908 14.336 -3.712 1.00 0.00 N ATOM 1683 CA SER A 103 3.389 12.959 -3.769 1.00 0.00 C ATOM 1684 C SER A 103 4.232 12.036 -4.660 1.00 0.00 C ATOM 1685 O SER A 103 4.930 12.500 -5.564 1.00 0.00 O ATOM 1686 CB SER A 103 1.952 12.963 -4.301 1.00 0.00 C ATOM 1687 OG SER A 103 1.086 13.693 -3.447 1.00 0.00 O ATOM 0 HA SER A 103 3.430 12.574 -2.750 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.933 13.399 -5.300 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.594 11.938 -4.394 1.00 0.00 H new ATOM 0 HG SER A 103 1.601 14.371 -2.961 1.00 0.00 H new ATOM 1693 N ALA A 104 4.124 10.722 -4.439 1.00 0.00 N ATOM 1694 CA ALA A 104 4.702 9.675 -5.288 1.00 0.00 C ATOM 1695 C ALA A 104 3.839 8.401 -5.296 1.00 0.00 C ATOM 1696 O ALA A 104 3.164 8.090 -4.314 1.00 0.00 O ATOM 1697 CB ALA A 104 6.131 9.376 -4.809 1.00 0.00 C ATOM 0 H ALA A 104 3.616 10.346 -3.639 1.00 0.00 H new ATOM 0 HA ALA A 104 4.731 10.034 -6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.569 8.598 -5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.735 10.281 -4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.104 9.036 -3.774 1.00 0.00 H new ATOM 1703 N PHE A 105 3.884 7.634 -6.387 1.00 0.00 N ATOM 1704 CA PHE A 105 3.291 6.293 -6.458 1.00 0.00 C ATOM 1705 C PHE A 105 4.362 5.219 -6.226 1.00 0.00 C ATOM 1706 O PHE A 105 5.398 5.217 -6.897 1.00 0.00 O ATOM 1707 CB PHE A 105 2.568 6.104 -7.799 1.00 0.00 C ATOM 1708 CG PHE A 105 1.574 7.207 -8.111 1.00 0.00 C ATOM 1709 CD1 PHE A 105 0.311 7.222 -7.491 1.00 0.00 C ATOM 1710 CD2 PHE A 105 1.938 8.257 -8.977 1.00 0.00 C ATOM 1711 CE1 PHE A 105 -0.586 8.273 -7.754 1.00 0.00 C ATOM 1712 CE2 PHE A 105 1.050 9.318 -9.215 1.00 0.00 C ATOM 1713 CZ PHE A 105 -0.218 9.326 -8.607 1.00 0.00 C ATOM 0 H PHE A 105 4.336 7.926 -7.254 1.00 0.00 H new ATOM 0 HA PHE A 105 2.550 6.187 -5.666 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.308 6.056 -8.598 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.046 5.147 -7.790 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.031 6.428 -6.815 1.00 0.00 H new ATOM 0 HD2 PHE A 105 2.904 8.246 -9.460 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.564 8.270 -7.297 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.341 10.129 -9.866 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.905 10.138 -8.795 1.00 0.00 H new ATOM 1723 N ILE A 106 4.107 4.288 -5.302 1.00 0.00 N ATOM 1724 CA ILE A 106 4.946 3.098 -5.080 1.00 0.00 C ATOM 1725 C ILE A 106 4.169 1.801 -5.290 1.00 0.00 C ATOM 1726 O ILE A 106 3.053 1.641 -4.797 1.00 0.00 O ATOM 1727 CB ILE A 106 5.655 3.083 -3.706 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.694 3.289 -2.514 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.784 4.131 -3.698 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.323 2.971 -1.153 1.00 0.00 C ATOM 0 H ILE A 106 3.302 4.337 -4.677 1.00 0.00 H new ATOM 0 HA ILE A 106 5.728 3.163 -5.837 1.00 0.00 H new ATOM 0 HB ILE A 106 6.076 2.087 -3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.348 4.323 -2.512 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.815 2.659 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.284 4.120 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.505 3.895 -4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.363 5.120 -3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.589 3.139 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.643 1.929 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.185 3.618 -0.990 1.00 0.00 H new ATOM 1742 N GLY A 107 4.798 0.856 -5.989 1.00 0.00 N ATOM 1743 CA GLY A 107 4.344 -0.529 -6.086 1.00 0.00 C ATOM 1744 C GLY A 107 4.834 -1.339 -4.891 1.00 0.00 C ATOM 1745 O GLY A 107 5.979 -1.184 -4.465 1.00 0.00 O ATOM 0 H GLY A 107 5.654 1.037 -6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.255 -0.558 -6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.713 -0.974 -7.010 1.00 0.00 H new ATOM 1749 N ILE A 108 3.978 -2.202 -4.354 1.00 0.00 N ATOM 1750 CA ILE A 108 4.252 -3.046 -3.189 1.00 0.00 C ATOM 1751 C ILE A 108 4.096 -4.520 -3.575 1.00 0.00 C ATOM 1752 O ILE A 108 3.162 -4.864 -4.296 1.00 0.00 O ATOM 1753 CB ILE A 108 3.318 -2.717 -2.001 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.249 -1.193 -1.748 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.823 -3.472 -0.760 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.553 -0.804 -0.443 1.00 0.00 C ATOM 0 H ILE A 108 3.040 -2.340 -4.729 1.00 0.00 H new ATOM 0 HA ILE A 108 5.275 -2.847 -2.869 1.00 0.00 H new ATOM 0 HB ILE A 108 2.303 -3.039 -2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.262 -0.791 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.726 -0.721 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.175 -3.251 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.811 -4.544 -0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.841 -3.156 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.548 0.281 -0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.527 -1.172 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.087 -1.243 0.399 1.00 0.00 H new ATOM 1768 N GLY A 109 4.943 -5.393 -3.032 1.00 0.00 N ATOM 1769 CA GLY A 109 4.756 -6.845 -3.000 1.00 0.00 C ATOM 1770 C GLY A 109 4.997 -7.404 -1.596 1.00 0.00 C ATOM 1771 O GLY A 109 5.923 -6.992 -0.897 1.00 0.00 O ATOM 0 H GLY A 109 5.811 -5.099 -2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.745 -7.091 -3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.440 -7.318 -3.705 1.00 0.00 H new ATOM 1775 N PHE A 110 4.149 -8.335 -1.166 1.00 0.00 N ATOM 1776 CA PHE A 110 4.251 -8.974 0.151 1.00 0.00 C ATOM 1777 C PHE A 110 5.099 -10.250 0.139 1.00 0.00 C ATOM 1778 O PHE A 110 5.364 -10.847 -0.907 1.00 0.00 O ATOM 1779 CB PHE A 110 2.848 -9.232 0.707 1.00 0.00 C ATOM 1780 CG PHE A 110 2.203 -7.993 1.296 1.00 0.00 C ATOM 1781 CD1 PHE A 110 1.735 -6.948 0.472 1.00 0.00 C ATOM 1782 CD2 PHE A 110 2.105 -7.873 2.694 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.182 -5.791 1.048 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.517 -6.736 3.267 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.080 -5.684 2.444 1.00 0.00 C ATOM 0 H PHE A 110 3.364 -8.672 -1.723 1.00 0.00 H new ATOM 0 HA PHE A 110 4.778 -8.285 0.811 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.214 -9.620 -0.090 1.00 0.00 H new ATOM 0 HB3 PHE A 110 2.904 -10.004 1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.802 -7.037 -0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.484 -8.660 3.329 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.836 -4.985 0.417 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.400 -6.669 4.339 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.665 -4.791 2.887 1.00 0.00 H new ATOM 1795 N THR A 111 5.493 -10.690 1.338 1.00 0.00 N ATOM 1796 CA THR A 111 6.244 -11.936 1.549 1.00 0.00 C ATOM 1797 C THR A 111 5.391 -13.188 1.282 1.00 0.00 C ATOM 1798 O THR A 111 5.920 -14.256 0.966 1.00 0.00 O ATOM 1799 CB THR A 111 6.848 -11.925 2.962 1.00 0.00 C ATOM 1800 OG1 THR A 111 8.020 -12.703 3.017 1.00 0.00 O ATOM 1801 CG2 THR A 111 5.896 -12.397 4.062 1.00 0.00 C ATOM 0 H THR A 111 5.298 -10.185 2.203 1.00 0.00 H new ATOM 0 HA THR A 111 7.055 -11.985 0.822 1.00 0.00 H new ATOM 0 HB THR A 111 7.069 -10.876 3.157 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.718 -12.209 3.496 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.405 -12.357 5.025 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.019 -11.750 4.087 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.585 -13.422 3.859 1.00 0.00 H new ATOM 1809 N ASP A 112 4.062 -13.044 1.358 1.00 0.00 N ATOM 1810 CA ASP A 112 3.072 -14.083 1.057 1.00 0.00 C ATOM 1811 C ASP A 112 1.855 -13.514 0.304 1.00 0.00 C ATOM 1812 O ASP A 112 1.412 -12.393 0.576 1.00 0.00 O ATOM 1813 CB ASP A 112 2.629 -14.760 2.366 1.00 0.00 C ATOM 1814 CG ASP A 112 1.987 -16.129 2.100 1.00 0.00 C ATOM 1815 OD1 ASP A 112 2.700 -17.159 2.162 1.00 0.00 O ATOM 1816 OD2 ASP A 112 0.773 -16.168 1.800 1.00 0.00 O ATOM 0 H ASP A 112 3.631 -12.165 1.642 1.00 0.00 H new ATOM 0 HA ASP A 112 3.537 -14.820 0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.490 -14.882 3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.918 -14.118 2.887 1.00 0.00 H new ATOM 1821 N ARG A 113 1.265 -14.310 -0.602 1.00 0.00 N ATOM 1822 CA ARG A 113 0.019 -13.985 -1.326 1.00 0.00 C ATOM 1823 C ARG A 113 -1.135 -13.696 -0.350 1.00 0.00 C ATOM 1824 O ARG A 113 -1.922 -12.778 -0.574 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.310 -15.163 -2.273 1.00 0.00 C ATOM 1826 CG ARG A 113 -1.073 -14.820 -3.566 1.00 0.00 C ATOM 1827 CD ARG A 113 -2.394 -14.078 -3.353 1.00 0.00 C ATOM 1828 NE ARG A 113 -3.212 -14.051 -4.577 1.00 0.00 N ATOM 1829 CZ ARG A 113 -4.359 -13.425 -4.725 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -5.026 -13.619 -5.819 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -4.836 -12.615 -3.820 1.00 0.00 N ATOM 0 H ARG A 113 1.648 -15.220 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 113 0.155 -13.076 -1.912 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.626 -15.649 -2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.896 -15.894 -1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.429 -14.212 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.275 -15.744 -4.108 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.955 -14.559 -2.552 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.189 -13.057 -3.031 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.857 -14.565 -5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.658 -14.243 -6.537 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -5.919 -13.147 -5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -4.315 -12.448 -2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -5.730 -12.149 -3.973 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.207 -14.430 0.761 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.190 -14.225 1.825 1.00 0.00 C ATOM 1847 C GLY A 114 -1.953 -12.958 2.651 1.00 0.00 C ATOM 1848 O GLY A 114 -2.914 -12.295 3.032 1.00 0.00 O ATOM 0 H GLY A 114 -0.568 -15.202 0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.185 -14.178 1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.177 -15.089 2.490 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.696 -12.555 2.866 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.378 -11.300 3.565 1.00 0.00 C ATOM 1854 C ASP A 115 -0.781 -10.068 2.735 1.00 0.00 C ATOM 1855 O ASP A 115 -1.293 -9.095 3.292 1.00 0.00 O ATOM 1856 CB ASP A 115 1.095 -11.263 3.997 1.00 0.00 C ATOM 1857 CG ASP A 115 1.430 -12.259 5.123 1.00 0.00 C ATOM 1858 OD1 ASP A 115 2.583 -12.739 5.177 1.00 0.00 O ATOM 1859 OD2 ASP A 115 0.560 -12.517 5.989 1.00 0.00 O ATOM 0 H ASP A 115 0.124 -13.082 2.565 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.976 -11.265 4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.724 -11.478 3.133 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.343 -10.255 4.329 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.668 -10.146 1.406 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.236 -9.150 0.498 1.00 0.00 C ATOM 1866 C ALA A 116 -2.774 -9.207 0.423 1.00 0.00 C ATOM 1867 O ALA A 116 -3.432 -8.168 0.463 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.638 -9.358 -0.890 1.00 0.00 C ATOM 0 H ALA A 116 -0.179 -10.904 0.930 1.00 0.00 H new ATOM 0 HA ALA A 116 -0.985 -8.164 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.052 -8.622 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.445 -9.240 -0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.878 -10.361 -1.243 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.385 -10.392 0.369 1.00 0.00 N ATOM 1875 CA PHE A 117 -4.848 -10.494 0.392 1.00 0.00 C ATOM 1876 C PHE A 117 -5.437 -9.885 1.680 1.00 0.00 C ATOM 1877 O PHE A 117 -6.501 -9.266 1.641 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.261 -11.957 0.219 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.764 -12.162 0.247 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.529 -11.984 -0.920 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.411 -12.479 1.457 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.927 -12.101 -0.872 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.806 -12.648 1.493 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.568 -12.443 0.331 1.00 0.00 C ATOM 0 H PHE A 117 -2.897 -11.286 0.310 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.254 -9.916 -0.438 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.868 -12.329 -0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.805 -12.552 1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.039 -11.757 -1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -6.832 -12.593 2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.512 -11.928 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.292 -12.935 2.414 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.642 -12.548 0.362 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.711 -9.968 2.801 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.088 -9.365 4.077 1.00 0.00 C ATOM 1896 C ASP A 118 -4.873 -7.841 4.077 1.00 0.00 C ATOM 1897 O ASP A 118 -5.637 -7.130 4.731 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.301 -10.019 5.221 1.00 0.00 C ATOM 1899 CG ASP A 118 -4.617 -11.504 5.477 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -3.800 -12.158 6.171 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -5.669 -12.029 5.046 1.00 0.00 O ATOM 0 H ASP A 118 -3.824 -10.470 2.843 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.153 -9.542 4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.236 -9.923 5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.494 -9.461 6.137 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.910 -7.309 3.306 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.782 -5.868 3.061 1.00 0.00 C ATOM 1908 C PHE A 119 -5.037 -5.324 2.359 1.00 0.00 C ATOM 1909 O PHE A 119 -5.593 -4.308 2.778 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.492 -5.579 2.270 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.310 -4.148 1.791 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -2.789 -3.741 0.532 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -1.627 -3.224 2.591 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -2.602 -2.416 0.085 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -1.471 -1.895 2.169 1.00 0.00 C ATOM 1916 CZ PHE A 119 -1.959 -1.488 0.918 1.00 0.00 C ATOM 0 H PHE A 119 -3.199 -7.869 2.836 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.703 -5.345 4.014 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.639 -5.843 2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.467 -6.238 1.402 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.305 -4.450 -0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -1.217 -3.537 3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.952 -2.118 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.973 -1.182 2.810 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.840 -0.464 0.597 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.552 -6.062 1.368 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.859 -5.807 0.760 1.00 0.00 C ATOM 1928 C ASN A 120 -8.004 -5.925 1.782 1.00 0.00 C ATOM 1929 O ASN A 120 -8.796 -4.993 1.894 1.00 0.00 O ATOM 1930 CB ASN A 120 -7.027 -6.723 -0.468 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.453 -7.151 -0.769 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -9.226 -6.448 -1.404 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.840 -8.322 -0.319 1.00 0.00 N ATOM 0 H ASN A 120 -5.065 -6.862 0.963 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.908 -4.774 0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.628 -6.208 -1.342 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.421 -7.617 -0.320 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.789 -8.649 -0.499 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.191 -8.905 0.210 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.099 -7.009 2.563 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.232 -7.209 3.490 1.00 0.00 C ATOM 1942 C VAL A 121 -9.279 -6.139 4.590 1.00 0.00 C ATOM 1943 O VAL A 121 -10.363 -5.684 4.960 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.244 -8.632 4.090 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.255 -8.814 5.233 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -9.619 -9.663 3.020 1.00 0.00 C ATOM 0 H VAL A 121 -7.410 -7.761 2.575 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.139 -7.098 2.895 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.235 -8.779 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.205 -9.838 5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.017 -8.124 6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.261 -8.610 4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.622 -10.660 3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.610 -9.436 2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -8.891 -9.627 2.209 1.00 0.00 H new ATOM 1956 N SER A 122 -8.114 -5.666 5.043 1.00 0.00 N ATOM 1957 CA SER A 122 -7.980 -4.551 5.996 1.00 0.00 C ATOM 1958 C SER A 122 -8.592 -3.240 5.482 1.00 0.00 C ATOM 1959 O SER A 122 -8.955 -2.379 6.283 1.00 0.00 O ATOM 1960 CB SER A 122 -6.501 -4.299 6.315 1.00 0.00 C ATOM 1961 OG SER A 122 -5.898 -5.455 6.863 1.00 0.00 O ATOM 0 H SER A 122 -7.216 -6.054 4.753 1.00 0.00 H new ATOM 0 HA SER A 122 -8.528 -4.852 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 122 -5.974 -4.005 5.407 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.413 -3.470 7.017 1.00 0.00 H new ATOM 0 HG SER A 122 -5.897 -6.172 6.194 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.734 -3.095 4.160 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.386 -1.965 3.496 1.00 0.00 C ATOM 1969 C LEU A 123 -10.836 -2.292 3.094 1.00 0.00 C ATOM 1970 O LEU A 123 -11.716 -1.458 3.295 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.523 -1.541 2.298 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.152 -0.975 2.721 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.164 -1.079 1.565 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.268 0.490 3.154 1.00 0.00 C ATOM 0 H LEU A 123 -8.384 -3.789 3.500 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.463 -1.128 4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.371 -2.399 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.058 -0.789 1.718 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.795 -1.563 3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.199 -0.677 1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.047 -2.124 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.539 -0.510 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.286 0.862 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.649 1.086 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.952 0.566 4.000 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.123 -3.511 2.623 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.489 -3.978 2.329 1.00 0.00 C ATOM 1988 C GLN A 124 -13.413 -3.784 3.541 1.00 0.00 C ATOM 1989 O GLN A 124 -14.421 -3.088 3.445 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.492 -5.466 1.934 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.793 -5.797 0.604 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.610 -5.501 -0.654 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.727 -5.001 -0.632 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -12.070 -5.816 -1.813 1.00 0.00 N ATOM 0 H GLN A 124 -10.407 -4.212 2.432 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.858 -3.382 1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.012 -6.036 2.729 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.526 -5.807 1.876 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.861 -5.235 0.553 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.528 -6.854 0.605 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -11.140 -6.233 -1.846 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.582 -5.643 -2.678 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.046 -4.325 4.707 1.00 0.00 N ATOM 2004 CA ASP A 125 -13.856 -4.239 5.934 1.00 0.00 C ATOM 2005 C ASP A 125 -13.786 -2.861 6.620 1.00 0.00 C ATOM 2006 O ASP A 125 -14.556 -2.585 7.539 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.398 -5.341 6.897 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.376 -5.576 8.057 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -15.549 -5.921 7.785 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -13.968 -5.465 9.238 1.00 0.00 O ATOM 0 H ASP A 125 -12.174 -4.839 4.830 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.900 -4.376 5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.273 -6.271 6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.421 -5.078 7.302 1.00 0.00 H new ATOM 2015 N HIS A 126 -12.894 -1.977 6.163 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.844 -0.575 6.591 1.00 0.00 C ATOM 2017 C HIS A 126 -13.789 0.308 5.764 1.00 0.00 C ATOM 2018 O HIS A 126 -14.413 1.214 6.311 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.397 -0.069 6.556 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.291 1.394 6.899 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -10.992 2.405 5.986 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.583 1.961 8.106 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.117 3.557 6.659 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.473 3.322 7.932 1.00 0.00 N ATOM 0 H HIS A 126 -12.178 -2.217 5.478 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.199 -0.514 7.620 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.796 -0.648 7.257 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -10.980 -0.238 5.563 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.848 1.444 9.017 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -10.954 4.537 6.236 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -11.634 4.031 8.648 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.969 0.006 4.473 1.00 0.00 N ATOM 2033 CA PHE A 127 -14.900 0.730 3.601 1.00 0.00 C ATOM 2034 C PHE A 127 -16.301 0.095 3.494 1.00 0.00 C ATOM 2035 O PHE A 127 -17.234 0.781 3.071 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.225 1.038 2.257 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.185 2.141 2.396 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -11.815 1.833 2.497 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -13.602 3.480 2.528 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -10.866 2.848 2.711 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -12.657 4.491 2.781 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.290 4.176 2.867 1.00 0.00 C ATOM 0 H PHE A 127 -13.471 -0.750 4.003 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.125 1.685 4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -13.751 0.136 1.871 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -14.980 1.337 1.530 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -11.490 0.807 2.409 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -14.648 3.731 2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -9.814 2.606 2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -12.983 5.513 2.910 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.566 4.956 3.053 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.503 -1.158 3.943 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.803 -1.866 3.865 1.00 0.00 C ATOM 2054 C LYS A 128 -18.952 -1.185 4.622 1.00 0.00 C ATOM 2055 O LYS A 128 -20.111 -1.347 4.243 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.653 -3.358 4.235 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.496 -3.695 5.729 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.836 -3.965 6.417 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.734 -4.116 7.938 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.186 -5.434 8.348 1.00 0.00 N ATOM 0 H LYS A 128 -15.765 -1.715 4.374 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.104 -1.806 2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -18.526 -3.890 3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.786 -3.753 3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -16.855 -4.570 5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -16.993 -2.869 6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -19.522 -3.149 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.271 -4.873 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.100 -3.324 8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.722 -3.985 8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -18.264 -5.537 9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.723 -6.193 7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.186 -5.496 8.069 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.639 -0.441 5.687 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.610 0.240 6.564 1.00 0.00 C ATOM 2076 C TRP A 129 -19.782 1.747 6.272 1.00 0.00 C ATOM 2077 O TRP A 129 -20.549 2.434 6.951 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.260 -0.072 8.027 1.00 0.00 C ATOM 2079 CG TRP A 129 -17.857 0.247 8.445 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.821 -0.623 8.465 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.300 1.535 8.859 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.680 0.025 8.881 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -15.904 1.366 9.109 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.825 2.838 9.006 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -15.072 2.436 9.473 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -16.991 3.926 9.336 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.619 3.726 9.571 1.00 0.00 C ATOM 0 H TRP A 129 -17.673 -0.288 5.976 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.602 -0.158 6.348 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -19.945 0.480 8.670 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.440 -1.132 8.206 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -16.880 -1.667 8.196 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -14.777 -0.432 9.006 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -18.883 3.004 8.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -14.024 2.270 9.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.409 4.919 9.409 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -14.987 4.563 9.827 1.00 0.00 H new ATOM 2098 N VAL A 130 -19.104 2.256 5.240 1.00 0.00 N ATOM 2099 CA VAL A 130 -19.157 3.645 4.732 1.00 0.00 C ATOM 2100 C VAL A 130 -19.508 3.633 3.230 1.00 0.00 C ATOM 2101 O VAL A 130 -20.041 2.643 2.723 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.867 4.443 5.094 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -18.184 5.470 6.187 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.682 3.602 5.558 1.00 0.00 C ATOM 0 H VAL A 130 -18.461 1.680 4.697 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.956 4.192 5.233 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.561 4.911 4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -17.280 6.026 6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -18.947 6.161 5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.551 4.955 7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.839 4.255 5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -16.959 3.045 6.453 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.400 2.904 4.769 1.00 0.00 H new