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 90:sc= 0.503 USER MOD Set 1.2: A 120 ASN : amide:sc= 0.549 K(o=1.1,f=-0.48!) USER MOD Set 2.1: A 44 THR OG1 : rot -150:sc= 0.77 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 153:sc= 2.09 (180deg=1.14) USER MOD Set 3.1: A 59 LYS NZ :NH3+ -145:sc= 1.93 (180deg=-0.372) USER MOD Set 3.2: A 71 GLN : amide:sc= 0.703 K(o=2.6,f=-2.5) USER MOD Set 4.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0325 USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= 2.44 (180deg=2.17) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 30:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00183 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 -100:sc= -0.125 USER MOD Single : A 51 SER OG : rot 32:sc= 0.255 USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.19) 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= 0.434 K(o=0.43,f=-0.18) USER MOD Single : A 84 THR OG1 : rot -74:sc= 0.0363 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 160:sc= 0.848 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 130:sc= 0.467 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot -34:sc= 0.0754 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -72:sc= 1.23 USER MOD Single : A 124 GLN : amide:sc= 0.83 K(o=0.83,f=0) USER MOD Single : A 126 HIS : no HD1:sc= 0.751 K(o=0.93,f=-3.9!) USER MOD Single : A 128 LYS NZ :NH3+ -168:sc= 1.32 (180deg=1.27) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -5.654 8.596 14.546 1.00 0.00 N ATOM 172 CA GLU A 8 -5.828 7.449 13.643 1.00 0.00 C ATOM 173 C GLU A 8 -5.880 6.155 14.475 1.00 0.00 C ATOM 174 O GLU A 8 -5.047 5.919 15.355 1.00 0.00 O ATOM 175 CB GLU A 8 -4.719 7.385 12.570 1.00 0.00 C ATOM 176 CG GLU A 8 -3.291 7.292 13.131 1.00 0.00 C ATOM 177 CD GLU A 8 -2.231 7.544 12.060 1.00 0.00 C ATOM 178 OE1 GLU A 8 -2.067 8.700 11.599 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.527 6.572 11.707 1.00 0.00 O ATOM 0 HA GLU A 8 -6.768 7.568 13.104 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.901 6.522 11.930 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.791 8.271 11.939 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.171 8.017 13.936 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.137 6.305 13.566 1.00 0.00 H new ATOM 186 N SER A 9 -6.882 5.319 14.214 1.00 0.00 N ATOM 187 CA SER A 9 -7.110 4.033 14.886 1.00 0.00 C ATOM 188 C SER A 9 -6.408 2.883 14.157 1.00 0.00 C ATOM 189 O SER A 9 -6.430 2.847 12.933 1.00 0.00 O ATOM 190 CB SER A 9 -8.613 3.759 14.974 1.00 0.00 C ATOM 191 OG SER A 9 -9.229 4.679 15.864 1.00 0.00 O ATOM 0 H SER A 9 -7.585 5.522 13.504 1.00 0.00 H new ATOM 0 HA SER A 9 -6.688 4.095 15.889 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.063 3.842 13.985 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.784 2.739 15.318 1.00 0.00 H new ATOM 0 HG SER A 9 -10.190 4.495 15.911 1.00 0.00 H new ATOM 197 N VAL A 10 -5.786 1.924 14.852 1.00 0.00 N ATOM 198 CA VAL A 10 -5.068 0.815 14.183 1.00 0.00 C ATOM 199 C VAL A 10 -6.026 -0.201 13.539 1.00 0.00 C ATOM 200 O VAL A 10 -7.030 -0.585 14.145 1.00 0.00 O ATOM 201 CB VAL A 10 -4.020 0.168 15.111 1.00 0.00 C ATOM 202 CG1 VAL A 10 -4.624 -0.582 16.305 1.00 0.00 C ATOM 203 CG2 VAL A 10 -3.092 -0.782 14.343 1.00 0.00 C ATOM 0 H VAL A 10 -5.761 1.886 15.871 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.509 1.248 13.354 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.449 1.008 15.506 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.823 -1.008 16.909 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.208 0.110 16.912 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.271 -1.381 15.943 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.368 -1.218 15.031 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.682 -1.576 13.886 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.566 -0.227 13.566 1.00 0.00 H new ATOM 213 N LEU A 11 -5.710 -0.646 12.314 1.00 0.00 N ATOM 214 CA LEU A 11 -6.480 -1.640 11.550 1.00 0.00 C ATOM 215 C LEU A 11 -5.682 -2.917 11.236 1.00 0.00 C ATOM 216 O LEU A 11 -6.211 -4.016 11.408 1.00 0.00 O ATOM 217 CB LEU A 11 -6.977 -1.037 10.224 1.00 0.00 C ATOM 218 CG LEU A 11 -7.977 0.129 10.312 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.446 0.445 8.890 1.00 0.00 C ATOM 220 CD2 LEU A 11 -9.199 -0.200 11.171 1.00 0.00 C ATOM 0 H LEU A 11 -4.886 -0.314 11.812 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.319 -1.917 12.188 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.108 -0.695 9.662 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.439 -1.835 9.642 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.474 0.975 10.781 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.158 1.270 8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.589 0.725 8.278 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.926 -0.435 8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.868 0.660 11.196 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.723 -1.056 10.745 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.877 -0.439 12.185 1.00 0.00 H new ATOM 232 N CYS A 12 -4.436 -2.789 10.762 1.00 0.00 N ATOM 233 CA CYS A 12 -3.609 -3.930 10.351 1.00 0.00 C ATOM 234 C CYS A 12 -2.114 -3.713 10.625 1.00 0.00 C ATOM 235 O CYS A 12 -1.605 -2.593 10.574 1.00 0.00 O ATOM 236 CB CYS A 12 -3.869 -4.254 8.869 1.00 0.00 C ATOM 237 SG CYS A 12 -3.367 -5.957 8.479 1.00 0.00 S ATOM 0 H CYS A 12 -3.972 -1.887 10.653 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.901 -4.785 10.960 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.927 -4.122 8.644 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.320 -3.555 8.238 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.600 -6.201 7.224 1.00 0.00 H new ATOM 243 N VAL A 13 -1.403 -4.811 10.869 1.00 0.00 N ATOM 244 CA VAL A 13 0.056 -4.889 10.978 1.00 0.00 C ATOM 245 C VAL A 13 0.513 -6.218 10.364 1.00 0.00 C ATOM 246 O VAL A 13 -0.033 -7.275 10.686 1.00 0.00 O ATOM 247 CB VAL A 13 0.503 -4.684 12.445 1.00 0.00 C ATOM 248 CG1 VAL A 13 0.026 -5.770 13.418 1.00 0.00 C ATOM 249 CG2 VAL A 13 2.022 -4.538 12.582 1.00 0.00 C ATOM 0 H VAL A 13 -1.849 -5.718 11.003 1.00 0.00 H new ATOM 0 HA VAL A 13 0.538 -4.086 10.420 1.00 0.00 H new ATOM 0 HB VAL A 13 0.013 -3.752 12.726 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.386 -5.543 14.421 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.064 -5.802 13.422 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.416 -6.738 13.103 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.281 -4.397 13.631 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.509 -5.438 12.206 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.358 -3.676 12.006 1.00 0.00 H new ATOM 259 N LYS A 14 1.482 -6.172 9.442 1.00 0.00 N ATOM 260 CA LYS A 14 2.059 -7.360 8.772 1.00 0.00 C ATOM 261 C LYS A 14 3.587 -7.384 8.945 1.00 0.00 C ATOM 262 O LYS A 14 4.211 -6.334 8.774 1.00 0.00 O ATOM 263 CB LYS A 14 1.671 -7.417 7.281 1.00 0.00 C ATOM 264 CG LYS A 14 0.160 -7.427 6.970 1.00 0.00 C ATOM 265 CD LYS A 14 -0.487 -8.814 6.965 1.00 0.00 C ATOM 266 CE LYS A 14 -0.878 -9.360 8.341 1.00 0.00 C ATOM 267 NZ LYS A 14 -1.136 -10.822 8.287 1.00 0.00 N ATOM 0 H LYS A 14 1.900 -5.295 9.130 1.00 0.00 H new ATOM 0 HA LYS A 14 1.642 -8.247 9.248 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.119 -6.560 6.778 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.116 -8.311 6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.352 -6.806 7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.001 -6.964 5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.379 -8.778 6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.202 -9.516 6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.081 -9.155 9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.769 -8.844 8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.265 -11.188 9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.996 -11.002 7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.328 -11.301 7.841 1.00 0.00 H new ATOM 281 N PRO A 15 4.197 -8.544 9.270 1.00 0.00 N ATOM 282 CA PRO A 15 5.570 -8.620 9.786 1.00 0.00 C ATOM 283 C PRO A 15 6.668 -8.371 8.739 1.00 0.00 C ATOM 284 O PRO A 15 7.789 -8.021 9.107 1.00 0.00 O ATOM 285 CB PRO A 15 5.688 -10.027 10.387 1.00 0.00 C ATOM 286 CG PRO A 15 4.713 -10.852 9.550 1.00 0.00 C ATOM 287 CD PRO A 15 3.574 -9.863 9.316 1.00 0.00 C ATOM 0 HA PRO A 15 5.733 -7.823 10.512 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.705 -10.411 10.314 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.419 -10.037 11.443 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.161 -11.186 8.614 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.376 -11.744 10.078 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.051 -10.081 8.385 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.836 -9.919 10.116 1.00 0.00 H new ATOM 295 N ASP A 16 6.364 -8.540 7.449 1.00 0.00 N ATOM 296 CA ASP A 16 7.292 -8.305 6.339 1.00 0.00 C ATOM 297 C ASP A 16 6.547 -7.788 5.095 1.00 0.00 C ATOM 298 O ASP A 16 5.518 -8.344 4.702 1.00 0.00 O ATOM 299 CB ASP A 16 8.057 -9.602 6.034 1.00 0.00 C ATOM 300 CG ASP A 16 9.132 -9.420 4.951 1.00 0.00 C ATOM 301 OD1 ASP A 16 9.310 -10.338 4.118 1.00 0.00 O ATOM 302 OD2 ASP A 16 9.830 -8.380 4.962 1.00 0.00 O ATOM 0 H ASP A 16 5.443 -8.852 7.140 1.00 0.00 H new ATOM 0 HA ASP A 16 8.006 -7.534 6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.527 -9.965 6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.351 -10.368 5.713 1.00 0.00 H new ATOM 307 N VAL A 17 7.066 -6.725 4.478 1.00 0.00 N ATOM 308 CA VAL A 17 6.517 -6.091 3.267 1.00 0.00 C ATOM 309 C VAL A 17 7.647 -5.435 2.474 1.00 0.00 C ATOM 310 O VAL A 17 8.586 -4.888 3.063 1.00 0.00 O ATOM 311 CB VAL A 17 5.398 -5.082 3.619 1.00 0.00 C ATOM 312 CG1 VAL A 17 5.871 -3.898 4.469 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.696 -4.537 2.372 1.00 0.00 C ATOM 0 H VAL A 17 7.910 -6.262 4.816 1.00 0.00 H new ATOM 0 HA VAL A 17 6.059 -6.858 2.642 1.00 0.00 H new ATOM 0 HB VAL A 17 4.696 -5.665 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.029 -3.237 4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.280 -4.266 5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.642 -3.348 3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.919 -3.833 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.423 -4.028 1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.246 -5.361 1.818 1.00 0.00 H new ATOM 323 N SER A 18 7.557 -5.480 1.143 1.00 0.00 N ATOM 324 CA SER A 18 8.595 -4.992 0.230 1.00 0.00 C ATOM 325 C SER A 18 8.027 -3.990 -0.781 1.00 0.00 C ATOM 326 O SER A 18 6.888 -4.120 -1.229 1.00 0.00 O ATOM 327 CB SER A 18 9.268 -6.174 -0.479 1.00 0.00 C ATOM 328 OG SER A 18 9.721 -7.148 0.450 1.00 0.00 O ATOM 0 H SER A 18 6.745 -5.864 0.659 1.00 0.00 H new ATOM 0 HA SER A 18 9.347 -4.464 0.816 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.564 -6.632 -1.174 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.110 -5.814 -1.070 1.00 0.00 H new ATOM 0 HG SER A 18 10.143 -7.889 -0.033 1.00 0.00 H new ATOM 334 N VAL A 19 8.813 -2.977 -1.149 1.00 0.00 N ATOM 335 CA VAL A 19 8.408 -1.865 -2.024 1.00 0.00 C ATOM 336 C VAL A 19 9.333 -1.758 -3.235 1.00 0.00 C ATOM 337 O VAL A 19 10.555 -1.869 -3.122 1.00 0.00 O ATOM 338 CB VAL A 19 8.293 -0.549 -1.236 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.082 0.666 -2.145 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.101 -0.646 -0.274 1.00 0.00 C ATOM 0 H VAL A 19 9.782 -2.901 -0.838 1.00 0.00 H new ATOM 0 HA VAL A 19 7.411 -2.075 -2.412 1.00 0.00 H new ATOM 0 HB VAL A 19 9.232 -0.408 -0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.008 1.567 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.925 0.759 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.163 0.537 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.012 0.283 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.187 -0.815 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.257 -1.475 0.416 1.00 0.00 H new ATOM 350 N TYR A 20 8.717 -1.552 -4.400 1.00 0.00 N ATOM 351 CA TYR A 20 9.314 -1.790 -5.724 1.00 0.00 C ATOM 352 C TYR A 20 9.467 -0.531 -6.610 1.00 0.00 C ATOM 353 O TYR A 20 9.972 -0.644 -7.727 1.00 0.00 O ATOM 354 CB TYR A 20 8.514 -2.913 -6.412 1.00 0.00 C ATOM 355 CG TYR A 20 8.598 -4.261 -5.706 1.00 0.00 C ATOM 356 CD1 TYR A 20 9.447 -5.267 -6.205 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.851 -4.510 -4.538 1.00 0.00 C ATOM 358 CE1 TYR A 20 9.551 -6.507 -5.544 1.00 0.00 C ATOM 359 CE2 TYR A 20 7.992 -5.733 -3.856 1.00 0.00 C ATOM 360 CZ TYR A 20 8.828 -6.742 -4.360 1.00 0.00 C ATOM 361 OH TYR A 20 8.940 -7.922 -3.693 1.00 0.00 O ATOM 0 H TYR A 20 7.760 -1.204 -4.455 1.00 0.00 H new ATOM 0 HA TYR A 20 10.348 -2.099 -5.574 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.468 -2.613 -6.475 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.875 -3.027 -7.434 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.023 -5.087 -7.101 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.169 -3.761 -4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.188 -7.280 -5.948 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.452 -5.897 -2.935 1.00 0.00 H new ATOM 0 HH TYR A 20 9.835 -8.295 -3.835 1.00 0.00 H new ATOM 371 N ARG A 21 9.068 0.652 -6.102 1.00 0.00 N ATOM 372 CA ARG A 21 9.288 2.025 -6.640 1.00 0.00 C ATOM 373 C ARG A 21 9.164 2.164 -8.173 1.00 0.00 C ATOM 374 O ARG A 21 10.118 1.970 -8.927 1.00 0.00 O ATOM 375 CB ARG A 21 10.628 2.572 -6.107 1.00 0.00 C ATOM 376 CG ARG A 21 10.456 3.237 -4.732 1.00 0.00 C ATOM 377 CD ARG A 21 11.816 3.555 -4.104 1.00 0.00 C ATOM 378 NE ARG A 21 11.698 4.518 -2.992 1.00 0.00 N ATOM 379 CZ ARG A 21 12.653 4.844 -2.137 1.00 0.00 C ATOM 380 NH1 ARG A 21 12.461 5.810 -1.284 1.00 0.00 N ATOM 381 NH2 ARG A 21 13.806 4.242 -2.104 1.00 0.00 N ATOM 0 H ARG A 21 8.538 0.683 -5.231 1.00 0.00 H new ATOM 0 HA ARG A 21 8.464 2.637 -6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.350 1.759 -6.032 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.034 3.295 -6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.876 4.154 -4.837 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.892 2.577 -4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.272 2.634 -3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.482 3.960 -4.866 1.00 0.00 H new ATOM 0 HE ARG A 21 10.794 4.976 -2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.574 6.314 -1.276 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.197 6.062 -0.624 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.004 3.483 -2.756 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.512 4.529 -1.426 1.00 0.00 H new ATOM 395 N ILE A 22 7.963 2.533 -8.622 1.00 0.00 N ATOM 396 CA ILE A 22 7.497 2.357 -10.011 1.00 0.00 C ATOM 397 C ILE A 22 7.569 3.648 -10.859 1.00 0.00 C ATOM 398 O ILE A 22 7.323 4.735 -10.328 1.00 0.00 O ATOM 399 CB ILE A 22 6.075 1.747 -10.016 1.00 0.00 C ATOM 400 CG1 ILE A 22 5.005 2.740 -9.506 1.00 0.00 C ATOM 401 CG2 ILE A 22 6.086 0.436 -9.218 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.606 2.149 -9.322 1.00 0.00 C ATOM 0 H ILE A 22 7.266 2.973 -8.021 1.00 0.00 H new ATOM 0 HA ILE A 22 8.186 1.664 -10.493 1.00 0.00 H new ATOM 0 HB ILE A 22 5.792 1.527 -11.045 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.337 3.150 -8.552 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.941 3.573 -10.206 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.086 0.002 -9.218 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.785 -0.263 -9.676 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.394 0.637 -8.192 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.928 2.923 -8.962 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.245 1.766 -10.276 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.647 1.336 -8.597 1.00 0.00 H new ATOM 414 N PRO A 23 7.857 3.558 -12.175 1.00 0.00 N ATOM 415 CA PRO A 23 7.827 4.714 -13.074 1.00 0.00 C ATOM 416 C PRO A 23 6.432 5.264 -13.478 1.00 0.00 C ATOM 417 O PRO A 23 6.300 6.492 -13.518 1.00 0.00 O ATOM 418 CB PRO A 23 8.697 4.342 -14.282 1.00 0.00 C ATOM 419 CG PRO A 23 8.859 2.822 -14.241 1.00 0.00 C ATOM 420 CD PRO A 23 8.490 2.409 -12.815 1.00 0.00 C ATOM 0 HA PRO A 23 8.220 5.570 -12.526 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.226 4.658 -15.213 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.666 4.838 -14.231 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.209 2.338 -14.970 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.881 2.530 -14.482 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.813 1.555 -12.826 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.378 2.104 -12.262 1.00 0.00 H new ATOM 428 N PRO A 24 5.390 4.457 -13.788 1.00 0.00 N ATOM 429 CA PRO A 24 4.111 4.967 -14.301 1.00 0.00 C ATOM 430 C PRO A 24 3.144 5.451 -13.204 1.00 0.00 C ATOM 431 O PRO A 24 3.257 5.074 -12.035 1.00 0.00 O ATOM 432 CB PRO A 24 3.508 3.802 -15.096 1.00 0.00 C ATOM 433 CG PRO A 24 3.992 2.584 -14.314 1.00 0.00 C ATOM 434 CD PRO A 24 5.396 3.005 -13.892 1.00 0.00 C ATOM 0 HA PRO A 24 4.280 5.855 -14.910 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.420 3.855 -15.132 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.861 3.789 -16.127 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.355 2.373 -13.455 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.005 1.685 -14.929 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.665 2.551 -12.938 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.134 2.673 -14.622 1.00 0.00 H new ATOM 525 N GLY A 30 -4.377 -0.523 -15.705 1.00 0.00 N ATOM 526 CA GLY A 30 -4.045 -0.092 -14.339 1.00 0.00 C ATOM 527 C GLY A 30 -2.570 0.271 -14.183 1.00 0.00 C ATOM 528 O GLY A 30 -2.168 1.384 -14.519 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.658 0.770 -14.074 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.296 -0.889 -13.639 1.00 0.00 H new ATOM 532 N TYR A 31 -1.763 -0.662 -13.678 1.00 0.00 N ATOM 533 CA TYR A 31 -0.320 -0.471 -13.447 1.00 0.00 C ATOM 534 C TYR A 31 0.563 -1.629 -13.910 1.00 0.00 C ATOM 535 O TYR A 31 1.688 -1.374 -14.330 1.00 0.00 O ATOM 536 CB TYR A 31 -0.074 -0.285 -11.950 1.00 0.00 C ATOM 537 CG TYR A 31 -0.370 1.099 -11.445 1.00 0.00 C ATOM 538 CD1 TYR A 31 -1.623 1.390 -10.877 1.00 0.00 C ATOM 539 CD2 TYR A 31 0.652 2.065 -11.479 1.00 0.00 C ATOM 540 CE1 TYR A 31 -1.850 2.658 -10.310 1.00 0.00 C ATOM 541 CE2 TYR A 31 0.435 3.322 -10.891 1.00 0.00 C ATOM 542 CZ TYR A 31 -0.811 3.621 -10.296 1.00 0.00 C ATOM 543 OH TYR A 31 -0.983 4.813 -9.663 1.00 0.00 O ATOM 0 H TYR A 31 -2.093 -1.589 -13.411 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.046 0.402 -14.039 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.688 -0.999 -11.401 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.967 -0.525 -11.732 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.406 0.646 -10.876 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.596 1.842 -11.954 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.814 2.896 -9.886 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.222 4.061 -10.894 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.169 5.351 -9.752 1.00 0.00 H new ATOM 553 N ARG A 32 0.065 -2.867 -13.791 1.00 0.00 N ATOM 554 CA ARG A 32 0.736 -4.162 -13.969 1.00 0.00 C ATOM 555 C ARG A 32 2.132 -4.271 -13.327 1.00 0.00 C ATOM 556 O ARG A 32 3.108 -3.777 -13.879 1.00 0.00 O ATOM 557 CB ARG A 32 0.713 -4.636 -15.442 1.00 0.00 C ATOM 558 CG ARG A 32 -0.253 -3.975 -16.451 1.00 0.00 C ATOM 559 CD ARG A 32 0.339 -2.800 -17.247 1.00 0.00 C ATOM 560 NE ARG A 32 1.306 -3.197 -18.291 1.00 0.00 N ATOM 561 CZ ARG A 32 1.099 -3.810 -19.440 1.00 0.00 C ATOM 562 NH1 ARG A 32 2.092 -3.911 -20.269 1.00 0.00 N ATOM 563 NH2 ARG A 32 -0.055 -4.305 -19.793 1.00 0.00 N ATOM 0 H ARG A 32 -0.915 -3.000 -13.543 1.00 0.00 H new ATOM 0 HA ARG A 32 0.132 -4.863 -13.394 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.723 -4.520 -15.836 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.494 -5.704 -15.436 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.595 -4.735 -17.154 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.132 -3.622 -15.911 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.475 -2.247 -17.715 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.831 -2.118 -16.553 1.00 0.00 H new ATOM 0 HE ARG A 32 2.279 -2.962 -18.094 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.002 -3.522 -20.024 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.962 -4.380 -21.166 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.856 -4.228 -19.166 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.156 -4.769 -20.696 1.00 0.00 H new ATOM 577 N ALA A 33 2.265 -5.023 -12.227 1.00 0.00 N ATOM 578 CA ALA A 33 3.570 -5.328 -11.609 1.00 0.00 C ATOM 579 C ALA A 33 4.589 -5.905 -12.611 1.00 0.00 C ATOM 580 O ALA A 33 5.777 -5.596 -12.557 1.00 0.00 O ATOM 581 CB ALA A 33 3.356 -6.303 -10.449 1.00 0.00 C ATOM 0 H ALA A 33 1.473 -5.439 -11.737 1.00 0.00 H new ATOM 0 HA ALA A 33 3.993 -4.391 -11.247 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.315 -6.534 -9.986 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.696 -5.849 -9.709 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.904 -7.221 -10.824 1.00 0.00 H new ATOM 587 N SER A 34 4.085 -6.682 -13.571 1.00 0.00 N ATOM 588 CA SER A 34 4.799 -7.270 -14.706 1.00 0.00 C ATOM 589 C SER A 34 5.418 -6.250 -15.684 1.00 0.00 C ATOM 590 O SER A 34 6.303 -6.612 -16.462 1.00 0.00 O ATOM 591 CB SER A 34 3.789 -8.140 -15.462 1.00 0.00 C ATOM 592 OG SER A 34 3.189 -9.084 -14.590 1.00 0.00 O ATOM 0 H SER A 34 3.097 -6.935 -13.576 1.00 0.00 H new ATOM 0 HA SER A 34 5.644 -7.831 -14.307 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.020 -7.509 -15.908 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.289 -8.659 -16.280 1.00 0.00 H new ATOM 0 HG SER A 34 2.546 -9.629 -15.090 1.00 0.00 H new ATOM 598 N ASP A 35 4.979 -4.984 -15.670 1.00 0.00 N ATOM 599 CA ASP A 35 5.515 -3.896 -16.504 1.00 0.00 C ATOM 600 C ASP A 35 6.799 -3.274 -15.923 1.00 0.00 C ATOM 601 O ASP A 35 7.696 -2.864 -16.663 1.00 0.00 O ATOM 602 CB ASP A 35 4.433 -2.818 -16.648 1.00 0.00 C ATOM 603 CG ASP A 35 4.614 -1.999 -17.929 1.00 0.00 C ATOM 604 OD1 ASP A 35 4.051 -2.430 -18.964 1.00 0.00 O ATOM 605 OD2 ASP A 35 5.267 -0.930 -17.902 1.00 0.00 O ATOM 0 H ASP A 35 4.220 -4.678 -15.061 1.00 0.00 H new ATOM 0 HA ASP A 35 5.784 -4.315 -17.474 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.450 -3.288 -16.653 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.464 -2.154 -15.784 1.00 0.00 H new ATOM 610 N TRP A 36 6.883 -3.235 -14.590 1.00 0.00 N ATOM 611 CA TRP A 36 8.003 -2.725 -13.792 1.00 0.00 C ATOM 612 C TRP A 36 8.709 -3.883 -13.050 1.00 0.00 C ATOM 613 O TRP A 36 8.722 -5.023 -13.524 1.00 0.00 O ATOM 614 CB TRP A 36 7.517 -1.545 -12.918 1.00 0.00 C ATOM 615 CG TRP A 36 6.092 -1.542 -12.459 1.00 0.00 C ATOM 616 CD1 TRP A 36 5.085 -0.961 -13.146 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.483 -2.080 -11.242 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.901 -1.111 -12.463 1.00 0.00 N ATOM 619 CE2 TRP A 36 4.096 -1.733 -11.249 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.958 -2.792 -10.116 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.241 -2.037 -10.180 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.103 -3.111 -9.041 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.750 -2.726 -9.065 1.00 0.00 C ATOM 0 H TRP A 36 6.124 -3.580 -14.002 1.00 0.00 H new ATOM 0 HA TRP A 36 8.786 -2.304 -14.423 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.152 -1.503 -12.033 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.688 -0.625 -13.477 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.194 -0.453 -14.093 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.994 -0.801 -12.811 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.993 -3.097 -10.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.202 -1.745 -10.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.490 -3.655 -8.192 1.00 0.00 H new ATOM 0 HH2 TRP A 36 3.105 -2.959 -8.231 1.00 0.00 H new ATOM 634 N LYS A 37 9.350 -3.604 -11.908 1.00 0.00 N ATOM 635 CA LYS A 37 9.984 -4.601 -11.034 1.00 0.00 C ATOM 636 C LYS A 37 8.940 -5.425 -10.295 1.00 0.00 C ATOM 637 O LYS A 37 8.493 -5.101 -9.199 1.00 0.00 O ATOM 638 CB LYS A 37 10.988 -3.893 -10.108 1.00 0.00 C ATOM 639 CG LYS A 37 12.264 -3.522 -10.882 1.00 0.00 C ATOM 640 CD LYS A 37 13.245 -2.715 -10.021 1.00 0.00 C ATOM 641 CE LYS A 37 14.658 -2.796 -10.610 1.00 0.00 C ATOM 642 NZ LYS A 37 15.614 -1.939 -9.859 1.00 0.00 N ATOM 0 H LYS A 37 9.445 -2.651 -11.556 1.00 0.00 H new ATOM 0 HA LYS A 37 10.545 -5.322 -11.629 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.535 -2.994 -9.690 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.240 -4.543 -9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.753 -4.431 -11.232 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.996 -2.943 -11.766 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.924 -1.675 -9.969 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.246 -3.099 -9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.002 -3.830 -10.590 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.635 -2.487 -11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.560 -2.018 -10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.298 -0.949 -9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.654 -2.250 -8.867 1.00 0.00 H new ATOM 656 N LEU A 38 8.609 -6.535 -10.939 1.00 0.00 N ATOM 657 CA LEU A 38 7.722 -7.584 -10.471 1.00 0.00 C ATOM 658 C LEU A 38 8.260 -8.295 -9.210 1.00 0.00 C ATOM 659 O LEU A 38 7.490 -8.567 -8.291 1.00 0.00 O ATOM 660 CB LEU A 38 7.563 -8.523 -11.686 1.00 0.00 C ATOM 661 CG LEU A 38 6.743 -9.778 -11.403 1.00 0.00 C ATOM 662 CD1 LEU A 38 5.266 -9.458 -11.162 1.00 0.00 C ATOM 663 CD2 LEU A 38 6.834 -10.768 -12.565 1.00 0.00 C ATOM 0 H LEU A 38 8.981 -6.738 -11.867 1.00 0.00 H new ATOM 0 HA LEU A 38 6.759 -7.195 -10.141 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.092 -7.970 -12.499 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.553 -8.820 -12.034 1.00 0.00 H new ATOM 0 HG LEU A 38 7.165 -10.219 -10.500 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.721 -10.381 -10.965 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.173 -8.792 -10.304 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.850 -8.973 -12.045 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.240 -11.653 -12.336 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.453 -10.300 -13.473 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.874 -11.058 -12.716 1.00 0.00 H new ATOM 675 N ASP A 39 9.567 -8.585 -9.151 1.00 0.00 N ATOM 676 CA ASP A 39 10.187 -9.338 -8.043 1.00 0.00 C ATOM 677 C ASP A 39 11.591 -8.821 -7.637 1.00 0.00 C ATOM 678 O ASP A 39 12.406 -9.561 -7.086 1.00 0.00 O ATOM 679 CB ASP A 39 10.161 -10.844 -8.374 1.00 0.00 C ATOM 680 CG ASP A 39 10.272 -11.727 -7.118 1.00 0.00 C ATOM 681 OD1 ASP A 39 9.445 -11.553 -6.189 1.00 0.00 O ATOM 682 OD2 ASP A 39 11.133 -12.640 -7.084 1.00 0.00 O ATOM 0 H ASP A 39 10.231 -8.304 -9.873 1.00 0.00 H new ATOM 0 HA ASP A 39 9.590 -9.169 -7.147 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.236 -11.081 -8.900 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.982 -11.078 -9.052 1.00 0.00 H new ATOM 687 N GLN A 40 11.874 -7.536 -7.897 1.00 0.00 N ATOM 688 CA GLN A 40 13.122 -6.847 -7.512 1.00 0.00 C ATOM 689 C GLN A 40 12.839 -5.629 -6.597 1.00 0.00 C ATOM 690 O GLN A 40 12.614 -4.529 -7.107 1.00 0.00 O ATOM 691 CB GLN A 40 13.902 -6.447 -8.778 1.00 0.00 C ATOM 692 CG GLN A 40 14.435 -7.658 -9.560 1.00 0.00 C ATOM 693 CD GLN A 40 15.273 -7.224 -10.761 1.00 0.00 C ATOM 694 OE1 GLN A 40 16.488 -7.094 -10.695 1.00 0.00 O ATOM 695 NE2 GLN A 40 14.663 -6.959 -11.899 1.00 0.00 N ATOM 0 H GLN A 40 11.225 -6.927 -8.395 1.00 0.00 H new ATOM 0 HA GLN A 40 13.738 -7.532 -6.930 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.254 -5.858 -9.427 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.738 -5.806 -8.496 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.038 -8.282 -8.900 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.599 -8.269 -9.900 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.651 -7.062 -11.971 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.203 -6.651 -12.707 1.00 0.00 H new ATOM 704 N PRO A 41 12.807 -5.780 -5.258 1.00 0.00 N ATOM 705 CA PRO A 41 12.473 -4.685 -4.345 1.00 0.00 C ATOM 706 C PRO A 41 13.618 -3.670 -4.178 1.00 0.00 C ATOM 707 O PRO A 41 14.796 -3.999 -4.338 1.00 0.00 O ATOM 708 CB PRO A 41 12.111 -5.361 -3.021 1.00 0.00 C ATOM 709 CG PRO A 41 12.967 -6.628 -3.032 1.00 0.00 C ATOM 710 CD PRO A 41 13.006 -7.017 -4.512 1.00 0.00 C ATOM 0 HA PRO A 41 11.648 -4.090 -4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.344 -4.725 -2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.048 -5.594 -2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.966 -6.441 -2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.527 -7.416 -2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.959 -7.479 -4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.227 -7.743 -4.745 1.00 0.00 H new ATOM 718 N ASP A 42 13.266 -2.436 -3.807 1.00 0.00 N ATOM 719 CA ASP A 42 14.202 -1.347 -3.480 1.00 0.00 C ATOM 720 C ASP A 42 14.247 -1.030 -1.969 1.00 0.00 C ATOM 721 O ASP A 42 15.267 -0.558 -1.462 1.00 0.00 O ATOM 722 CB ASP A 42 13.824 -0.109 -4.305 1.00 0.00 C ATOM 723 CG ASP A 42 14.899 0.987 -4.213 1.00 0.00 C ATOM 724 OD1 ASP A 42 15.994 0.809 -4.798 1.00 0.00 O ATOM 725 OD2 ASP A 42 14.638 2.038 -3.584 1.00 0.00 O ATOM 0 H ASP A 42 12.289 -2.154 -3.722 1.00 0.00 H new ATOM 0 HA ASP A 42 15.211 -1.669 -3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.685 -0.395 -5.347 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.871 0.286 -3.953 1.00 0.00 H new ATOM 730 N TRP A 43 13.168 -1.340 -1.240 1.00 0.00 N ATOM 731 CA TRP A 43 13.054 -1.224 0.220 1.00 0.00 C ATOM 732 C TRP A 43 12.241 -2.393 0.794 1.00 0.00 C ATOM 733 O TRP A 43 11.307 -2.865 0.144 1.00 0.00 O ATOM 734 CB TRP A 43 12.383 0.115 0.572 1.00 0.00 C ATOM 735 CG TRP A 43 12.061 0.324 2.023 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.867 0.922 2.929 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.851 -0.059 2.761 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.246 0.946 4.164 1.00 0.00 N ATOM 739 CE2 TRP A 43 10.997 0.364 4.116 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.653 -0.730 2.429 1.00 0.00 C ATOM 741 CZ2 TRP A 43 9.997 0.161 5.077 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.649 -0.961 3.391 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.815 -0.506 4.710 1.00 0.00 C ATOM 0 H TRP A 43 12.313 -1.694 -1.670 1.00 0.00 H new ATOM 0 HA TRP A 43 14.051 -1.258 0.659 1.00 0.00 H new ATOM 0 HB2 TRP A 43 13.036 0.924 0.244 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.460 0.199 -0.001 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.848 1.321 2.719 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.660 1.345 5.006 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.503 -1.073 1.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.133 0.513 6.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.749 -1.490 3.113 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.036 -0.668 5.440 1.00 0.00 H new ATOM 754 N THR A 44 12.542 -2.834 2.020 1.00 0.00 N ATOM 755 CA THR A 44 11.678 -3.723 2.802 1.00 0.00 C ATOM 756 C THR A 44 11.593 -3.299 4.265 1.00 0.00 C ATOM 757 O THR A 44 12.509 -2.680 4.816 1.00 0.00 O ATOM 758 CB THR A 44 12.082 -5.205 2.695 1.00 0.00 C ATOM 759 OG1 THR A 44 13.116 -5.554 3.599 1.00 0.00 O ATOM 760 CG2 THR A 44 12.534 -5.678 1.317 1.00 0.00 C ATOM 0 H THR A 44 13.404 -2.580 2.503 1.00 0.00 H new ATOM 0 HA THR A 44 10.687 -3.626 2.359 1.00 0.00 H new ATOM 0 HB THR A 44 11.143 -5.704 2.936 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.654 -6.279 3.217 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.793 -6.736 1.362 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.726 -5.533 0.599 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.406 -5.104 1.003 1.00 0.00 H new ATOM 768 N GLY A 45 10.480 -3.651 4.900 1.00 0.00 N ATOM 769 CA GLY A 45 10.162 -3.275 6.270 1.00 0.00 C ATOM 770 C GLY A 45 8.933 -4.011 6.789 1.00 0.00 C ATOM 771 O GLY A 45 8.791 -5.219 6.593 1.00 0.00 O ATOM 0 H GLY A 45 9.756 -4.221 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.014 -3.492 6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.990 -2.200 6.321 1.00 0.00 H new ATOM 775 N ARG A 46 8.056 -3.265 7.454 1.00 0.00 N ATOM 776 CA ARG A 46 6.860 -3.738 8.170 1.00 0.00 C ATOM 777 C ARG A 46 5.651 -2.858 7.826 1.00 0.00 C ATOM 778 O ARG A 46 5.790 -1.643 7.685 1.00 0.00 O ATOM 779 CB ARG A 46 7.168 -3.743 9.681 1.00 0.00 C ATOM 780 CG ARG A 46 6.292 -4.736 10.457 1.00 0.00 C ATOM 781 CD ARG A 46 6.639 -4.827 11.952 1.00 0.00 C ATOM 782 NE ARG A 46 5.837 -3.894 12.769 1.00 0.00 N ATOM 783 CZ ARG A 46 6.108 -2.636 13.066 1.00 0.00 C ATOM 784 NH1 ARG A 46 5.261 -1.910 13.728 1.00 0.00 N ATOM 785 NH2 ARG A 46 7.206 -2.035 12.722 1.00 0.00 N ATOM 0 H ARG A 46 8.161 -2.252 7.515 1.00 0.00 H new ATOM 0 HA ARG A 46 6.605 -4.752 7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.218 -3.994 9.834 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.018 -2.741 10.082 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.247 -4.444 10.352 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.393 -5.724 10.008 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.473 -5.847 12.300 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.698 -4.611 12.091 1.00 0.00 H new ATOM 0 HE ARG A 46 4.968 -4.267 13.150 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.371 -2.309 14.027 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.485 -0.940 13.950 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.918 -2.538 12.192 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.357 -1.060 12.982 1.00 0.00 H new ATOM 799 N LEU A 47 4.466 -3.450 7.688 1.00 0.00 N ATOM 800 CA LEU A 47 3.231 -2.717 7.372 1.00 0.00 C ATOM 801 C LEU A 47 2.558 -2.196 8.648 1.00 0.00 C ATOM 802 O LEU A 47 2.494 -2.926 9.638 1.00 0.00 O ATOM 803 CB LEU A 47 2.278 -3.658 6.616 1.00 0.00 C ATOM 804 CG LEU A 47 0.960 -3.012 6.148 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.153 -2.145 4.906 1.00 0.00 C ATOM 806 CD2 LEU A 47 -0.060 -4.108 5.868 1.00 0.00 C ATOM 0 H LEU A 47 4.330 -4.456 7.792 1.00 0.00 H new ATOM 0 HA LEU A 47 3.475 -1.855 6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.799 -4.056 5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.041 -4.505 7.260 1.00 0.00 H new ATOM 0 HG LEU A 47 0.602 -2.357 6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.197 -1.711 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.862 -1.347 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.538 -2.758 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.996 -3.658 5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.321 -4.769 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.236 -4.682 6.778 1.00 0.00 H new ATOM 818 N ARG A 48 1.960 -1.000 8.595 1.00 0.00 N ATOM 819 CA ARG A 48 1.042 -0.484 9.621 1.00 0.00 C ATOM 820 C ARG A 48 -0.124 0.277 8.970 1.00 0.00 C ATOM 821 O ARG A 48 0.030 1.414 8.532 1.00 0.00 O ATOM 822 CB ARG A 48 1.857 0.404 10.583 1.00 0.00 C ATOM 823 CG ARG A 48 1.215 0.548 11.969 1.00 0.00 C ATOM 824 CD ARG A 48 1.487 -0.697 12.825 1.00 0.00 C ATOM 825 NE ARG A 48 1.068 -0.504 14.226 1.00 0.00 N ATOM 826 CZ ARG A 48 1.736 0.131 15.175 1.00 0.00 C ATOM 827 NH1 ARG A 48 1.259 0.177 16.386 1.00 0.00 N ATOM 828 NH2 ARG A 48 2.876 0.727 14.968 1.00 0.00 N ATOM 0 H ARG A 48 2.103 -0.349 7.822 1.00 0.00 H new ATOM 0 HA ARG A 48 0.594 -1.302 10.186 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.856 -0.016 10.695 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.975 1.393 10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.611 1.432 12.468 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.140 0.695 11.864 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.958 -1.551 12.402 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.550 -0.934 12.794 1.00 0.00 H new ATOM 0 HE ARG A 48 0.167 -0.903 14.491 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.371 -0.276 16.602 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.773 0.666 17.118 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.295 0.718 14.038 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.350 1.203 15.736 1.00 0.00 H new ATOM 842 N ILE A 49 -1.301 -0.340 8.891 1.00 0.00 N ATOM 843 CA ILE A 49 -2.525 0.309 8.394 1.00 0.00 C ATOM 844 C ILE A 49 -3.310 0.867 9.580 1.00 0.00 C ATOM 845 O ILE A 49 -3.592 0.151 10.545 1.00 0.00 O ATOM 846 CB ILE A 49 -3.380 -0.638 7.526 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.563 -1.134 6.312 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.667 0.048 7.038 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.334 -2.057 5.363 1.00 0.00 C ATOM 0 H ILE A 49 -1.439 -1.311 9.171 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.243 1.131 7.736 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.663 -1.488 8.148 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.209 -0.269 5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.681 -1.661 6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.243 -0.650 6.430 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.262 0.358 7.897 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.409 0.923 6.441 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.685 -2.357 4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.665 -2.943 5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.201 -1.529 4.967 1.00 0.00 H new ATOM 861 N THR A 50 -3.698 2.134 9.483 1.00 0.00 N ATOM 862 CA THR A 50 -4.525 2.846 10.465 1.00 0.00 C ATOM 863 C THR A 50 -5.703 3.548 9.775 1.00 0.00 C ATOM 864 O THR A 50 -5.804 3.538 8.547 1.00 0.00 O ATOM 865 CB THR A 50 -3.671 3.840 11.280 1.00 0.00 C ATOM 866 OG1 THR A 50 -3.166 4.842 10.435 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.467 3.190 11.970 1.00 0.00 C ATOM 0 H THR A 50 -3.438 2.720 8.690 1.00 0.00 H new ATOM 0 HA THR A 50 -4.938 2.117 11.163 1.00 0.00 H new ATOM 0 HB THR A 50 -4.337 4.239 12.045 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.235 4.639 10.207 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.913 3.947 12.524 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.814 2.419 12.658 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.816 2.741 11.220 1.00 0.00 H new ATOM 875 N SER A 51 -6.631 4.139 10.531 1.00 0.00 N ATOM 876 CA SER A 51 -7.761 4.908 10.008 1.00 0.00 C ATOM 877 C SER A 51 -8.281 5.958 10.990 1.00 0.00 C ATOM 878 O SER A 51 -8.713 5.641 12.097 1.00 0.00 O ATOM 879 CB SER A 51 -8.925 4.000 9.596 1.00 0.00 C ATOM 880 OG SER A 51 -9.410 3.229 10.683 1.00 0.00 O ATOM 0 H SER A 51 -6.616 4.094 11.550 1.00 0.00 H new ATOM 0 HA SER A 51 -7.369 5.425 9.132 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.735 4.609 9.194 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.600 3.334 8.796 1.00 0.00 H new ATOM 0 HG SER A 51 -9.301 3.734 11.516 1.00 0.00 H new ATOM 886 N LYS A 52 -8.316 7.216 10.563 1.00 0.00 N ATOM 887 CA LYS A 52 -9.020 8.308 11.241 1.00 0.00 C ATOM 888 C LYS A 52 -10.464 8.391 10.732 1.00 0.00 C ATOM 889 O LYS A 52 -10.817 9.205 9.879 1.00 0.00 O ATOM 890 CB LYS A 52 -8.209 9.587 11.052 1.00 0.00 C ATOM 891 CG LYS A 52 -8.748 10.746 11.895 1.00 0.00 C ATOM 892 CD LYS A 52 -8.340 12.085 11.286 1.00 0.00 C ATOM 893 CE LYS A 52 -6.829 12.292 11.181 1.00 0.00 C ATOM 894 NZ LYS A 52 -6.517 13.512 10.398 1.00 0.00 N ATOM 0 H LYS A 52 -7.843 7.517 9.711 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.102 8.136 12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.169 9.398 11.320 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.221 9.870 9.999 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.834 10.684 11.957 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.366 10.671 12.913 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.776 12.167 10.291 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.765 12.889 11.887 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.399 12.375 12.179 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.371 11.424 10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.486 13.633 10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.910 13.419 9.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.937 14.341 10.865 1.00 0.00 H new ATOM 908 N GLY A 53 -11.285 7.474 11.230 1.00 0.00 N ATOM 909 CA GLY A 53 -12.714 7.360 10.919 1.00 0.00 C ATOM 910 C GLY A 53 -12.954 6.893 9.482 1.00 0.00 C ATOM 911 O GLY A 53 -12.552 5.789 9.116 1.00 0.00 O ATOM 0 H GLY A 53 -10.967 6.761 11.886 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.180 6.658 11.611 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.196 8.326 11.071 1.00 0.00 H new ATOM 915 N LYS A 54 -13.568 7.747 8.653 1.00 0.00 N ATOM 916 CA LYS A 54 -13.887 7.513 7.225 1.00 0.00 C ATOM 917 C LYS A 54 -12.676 7.550 6.277 1.00 0.00 C ATOM 918 O LYS A 54 -12.827 7.532 5.055 1.00 0.00 O ATOM 919 CB LYS A 54 -15.042 8.469 6.848 1.00 0.00 C ATOM 920 CG LYS A 54 -15.730 8.196 5.499 1.00 0.00 C ATOM 921 CD LYS A 54 -15.547 9.347 4.499 1.00 0.00 C ATOM 922 CE LYS A 54 -16.175 9.000 3.143 1.00 0.00 C ATOM 923 NZ LYS A 54 -16.124 10.161 2.216 1.00 0.00 N ATOM 0 H LYS A 54 -13.874 8.667 8.968 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.216 6.482 7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.796 8.424 7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.655 9.488 6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.327 7.279 5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.794 8.030 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.004 10.254 4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.485 9.556 4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.648 8.154 2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.210 8.691 3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.673 9.946 1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.528 10.997 2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.136 10.354 1.955 1.00 0.00 H new ATOM 937 N THR A 55 -11.469 7.532 6.835 1.00 0.00 N ATOM 938 CA THR A 55 -10.216 7.661 6.092 1.00 0.00 C ATOM 939 C THR A 55 -9.183 6.664 6.603 1.00 0.00 C ATOM 940 O THR A 55 -8.839 6.709 7.781 1.00 0.00 O ATOM 941 CB THR A 55 -9.671 9.088 6.246 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.684 10.060 6.065 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.632 9.345 5.164 1.00 0.00 C ATOM 0 H THR A 55 -11.330 7.425 7.840 1.00 0.00 H new ATOM 0 HA THR A 55 -10.412 7.453 5.040 1.00 0.00 H new ATOM 0 HB THR A 55 -9.256 9.167 7.251 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.301 10.956 6.172 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.241 10.357 5.268 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.817 8.629 5.265 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.093 9.233 4.183 1.00 0.00 H new ATOM 951 N ALA A 56 -8.674 5.782 5.740 1.00 0.00 N ATOM 952 CA ALA A 56 -7.556 4.884 6.042 1.00 0.00 C ATOM 953 C ALA A 56 -6.205 5.530 5.691 1.00 0.00 C ATOM 954 O ALA A 56 -6.124 6.436 4.861 1.00 0.00 O ATOM 955 CB ALA A 56 -7.753 3.530 5.343 1.00 0.00 C ATOM 0 H ALA A 56 -9.034 5.669 4.792 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.541 4.701 7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.914 2.874 5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.679 3.073 5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.805 3.681 4.265 1.00 0.00 H new ATOM 961 N TYR A 57 -5.130 5.044 6.307 1.00 0.00 N ATOM 962 CA TYR A 57 -3.762 5.483 6.081 1.00 0.00 C ATOM 963 C TYR A 57 -2.875 4.241 5.993 1.00 0.00 C ATOM 964 O TYR A 57 -2.736 3.496 6.966 1.00 0.00 O ATOM 965 CB TYR A 57 -3.304 6.434 7.199 1.00 0.00 C ATOM 966 CG TYR A 57 -4.074 7.741 7.289 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.539 8.919 6.730 1.00 0.00 C ATOM 968 CD2 TYR A 57 -5.331 7.778 7.925 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.266 10.126 6.796 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.073 8.971 7.959 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.540 10.153 7.405 1.00 0.00 C ATOM 972 OH TYR A 57 -6.255 11.311 7.470 1.00 0.00 O ATOM 0 H TYR A 57 -5.195 4.303 7.005 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.691 6.043 5.149 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.388 5.915 8.154 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.248 6.662 7.051 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.571 8.898 6.251 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.726 6.886 8.388 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.848 11.031 6.380 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.054 8.982 8.411 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.108 11.144 7.922 1.00 0.00 H new ATOM 982 N ILE A 58 -2.280 4.005 4.823 1.00 0.00 N ATOM 983 CA ILE A 58 -1.279 2.950 4.650 1.00 0.00 C ATOM 984 C ILE A 58 0.064 3.522 5.078 1.00 0.00 C ATOM 985 O ILE A 58 0.625 4.353 4.364 1.00 0.00 O ATOM 986 CB ILE A 58 -1.191 2.439 3.195 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.542 2.184 2.505 1.00 0.00 C ATOM 988 CG2 ILE A 58 -0.297 1.192 3.177 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.422 1.129 3.171 1.00 0.00 C ATOM 0 H ILE A 58 -2.476 4.535 3.974 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.566 2.092 5.258 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.755 3.240 2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.095 3.123 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.354 1.880 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.221 0.814 2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.696 1.451 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.731 0.424 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.351 1.023 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.896 0.174 3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.648 1.436 4.192 1.00 0.00 H new ATOM 1001 N LYS A 59 0.578 3.105 6.234 1.00 0.00 N ATOM 1002 CA LYS A 59 1.906 3.507 6.718 1.00 0.00 C ATOM 1003 C LYS A 59 2.888 2.337 6.669 1.00 0.00 C ATOM 1004 O LYS A 59 2.507 1.170 6.791 1.00 0.00 O ATOM 1005 CB LYS A 59 1.813 4.191 8.093 1.00 0.00 C ATOM 1006 CG LYS A 59 0.725 5.279 8.094 1.00 0.00 C ATOM 1007 CD LYS A 59 0.919 6.299 9.215 1.00 0.00 C ATOM 1008 CE LYS A 59 -0.205 7.331 9.152 1.00 0.00 C ATOM 1009 NZ LYS A 59 0.130 8.526 9.957 1.00 0.00 N ATOM 0 H LYS A 59 0.086 2.475 6.868 1.00 0.00 H new ATOM 0 HA LYS A 59 2.313 4.260 6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.590 3.448 8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.776 4.634 8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.730 5.794 7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.253 4.810 8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.916 5.799 10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.887 6.790 9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.379 7.622 8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.131 6.889 9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.735 8.904 10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.808 8.264 10.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.553 9.251 9.343 1.00 0.00 H new ATOM 1023 N LEU A 60 4.160 2.654 6.452 1.00 0.00 N ATOM 1024 CA LEU A 60 5.241 1.682 6.288 1.00 0.00 C ATOM 1025 C LEU A 60 6.375 2.007 7.266 1.00 0.00 C ATOM 1026 O LEU A 60 6.861 3.136 7.306 1.00 0.00 O ATOM 1027 CB LEU A 60 5.703 1.703 4.819 1.00 0.00 C ATOM 1028 CG LEU A 60 4.666 1.171 3.810 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.143 1.441 2.385 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.452 -0.338 3.945 1.00 0.00 C ATOM 0 H LEU A 60 4.479 3.620 6.383 1.00 0.00 H new ATOM 0 HA LEU A 60 4.900 0.673 6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.961 2.727 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.613 1.110 4.730 1.00 0.00 H new ATOM 0 HG LEU A 60 3.729 1.686 4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.406 1.063 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.268 2.514 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.096 0.939 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.713 -0.668 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.394 -0.856 3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.096 -0.567 4.949 1.00 0.00 H new ATOM 1042 N GLU A 61 6.785 1.019 8.057 1.00 0.00 N ATOM 1043 CA GLU A 61 7.792 1.144 9.115 1.00 0.00 C ATOM 1044 C GLU A 61 9.065 0.350 8.784 1.00 0.00 C ATOM 1045 O GLU A 61 9.006 -0.717 8.173 1.00 0.00 O ATOM 1046 CB GLU A 61 7.224 0.664 10.459 1.00 0.00 C ATOM 1047 CG GLU A 61 6.117 1.557 11.041 1.00 0.00 C ATOM 1048 CD GLU A 61 5.647 1.049 12.419 1.00 0.00 C ATOM 1049 OE1 GLU A 61 6.478 0.573 13.231 1.00 0.00 O ATOM 1050 OE2 GLU A 61 4.427 1.062 12.700 1.00 0.00 O ATOM 0 H GLU A 61 6.413 0.073 7.978 1.00 0.00 H new ATOM 0 HA GLU A 61 8.055 2.199 9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.830 -0.345 10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.038 0.600 11.181 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.484 2.579 11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.271 1.584 10.354 1.00 0.00 H new ATOM 1057 N ASP A 62 10.228 0.821 9.232 1.00 0.00 N ATOM 1058 CA ASP A 62 11.492 0.107 9.133 1.00 0.00 C ATOM 1059 C ASP A 62 11.512 -1.079 10.116 1.00 0.00 C ATOM 1060 O ASP A 62 11.184 -0.932 11.297 1.00 0.00 O ATOM 1061 CB ASP A 62 12.615 1.120 9.384 1.00 0.00 C ATOM 1062 CG ASP A 62 13.978 0.435 9.436 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.658 0.335 8.389 1.00 0.00 O ATOM 1064 OD2 ASP A 62 14.329 -0.034 10.539 1.00 0.00 O ATOM 0 H ASP A 62 10.315 1.731 9.684 1.00 0.00 H new ATOM 0 HA ASP A 62 11.632 -0.327 8.143 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.613 1.871 8.594 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.433 1.643 10.323 1.00 0.00 H new ATOM 1069 N LYS A 63 11.920 -2.262 9.638 1.00 0.00 N ATOM 1070 CA LYS A 63 11.907 -3.527 10.405 1.00 0.00 C ATOM 1071 C LYS A 63 12.968 -3.627 11.517 1.00 0.00 C ATOM 1072 O LYS A 63 13.013 -4.632 12.229 1.00 0.00 O ATOM 1073 CB LYS A 63 11.935 -4.736 9.447 1.00 0.00 C ATOM 1074 CG LYS A 63 13.161 -4.756 8.512 1.00 0.00 C ATOM 1075 CD LYS A 63 13.253 -6.022 7.644 1.00 0.00 C ATOM 1076 CE LYS A 63 11.992 -6.276 6.806 1.00 0.00 C ATOM 1077 NZ LYS A 63 12.228 -7.285 5.747 1.00 0.00 N ATOM 0 H LYS A 63 12.276 -2.375 8.689 1.00 0.00 H new ATOM 0 HA LYS A 63 10.965 -3.536 10.954 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.922 -5.654 10.034 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.028 -4.731 8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.126 -3.882 7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.067 -4.671 9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.112 -5.936 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.433 -6.883 8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.185 -6.614 7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.664 -5.342 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.333 -7.762 5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.599 -6.815 4.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.917 -7.987 6.084 1.00 0.00 H new ATOM 1091 N VAL A 64 13.804 -2.599 11.682 1.00 0.00 N ATOM 1092 CA VAL A 64 14.883 -2.510 12.681 1.00 0.00 C ATOM 1093 C VAL A 64 14.572 -1.455 13.742 1.00 0.00 C ATOM 1094 O VAL A 64 14.846 -1.685 14.923 1.00 0.00 O ATOM 1095 CB VAL A 64 16.242 -2.201 12.008 1.00 0.00 C ATOM 1096 CG1 VAL A 64 17.401 -2.615 12.921 1.00 0.00 C ATOM 1097 CG2 VAL A 64 16.422 -2.898 10.651 1.00 0.00 C ATOM 0 H VAL A 64 13.748 -1.765 11.098 1.00 0.00 H new ATOM 0 HA VAL A 64 14.951 -3.481 13.171 1.00 0.00 H new ATOM 0 HB VAL A 64 16.247 -1.125 11.836 1.00 0.00 H new ATOM 0 HG11 VAL A 64 18.348 -2.390 12.431 1.00 0.00 H new ATOM 0 HG12 VAL A 64 17.339 -2.065 13.860 1.00 0.00 H new ATOM 0 HG13 VAL A 64 17.342 -3.685 13.122 1.00 0.00 H new ATOM 0 HG21 VAL A 64 17.395 -2.638 10.235 1.00 0.00 H new ATOM 0 HG22 VAL A 64 16.361 -3.978 10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.637 -2.573 9.968 1.00 0.00 H new ATOM 1107 N SER A 65 13.974 -0.323 13.347 1.00 0.00 N ATOM 1108 CA SER A 65 13.806 0.851 14.221 1.00 0.00 C ATOM 1109 C SER A 65 12.355 1.320 14.407 1.00 0.00 C ATOM 1110 O SER A 65 12.100 2.179 15.254 1.00 0.00 O ATOM 1111 CB SER A 65 14.652 2.022 13.697 1.00 0.00 C ATOM 1112 OG SER A 65 16.021 1.667 13.569 1.00 0.00 O ATOM 0 H SER A 65 13.591 -0.193 12.410 1.00 0.00 H new ATOM 0 HA SER A 65 14.145 0.524 15.204 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.268 2.344 12.729 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.558 2.870 14.375 1.00 0.00 H new ATOM 0 HG SER A 65 16.528 2.435 13.232 1.00 0.00 H new ATOM 1118 N GLY A 66 11.400 0.803 13.624 1.00 0.00 N ATOM 1119 CA GLY A 66 10.008 1.280 13.607 1.00 0.00 C ATOM 1120 C GLY A 66 9.827 2.676 12.984 1.00 0.00 C ATOM 1121 O GLY A 66 8.782 3.303 13.159 1.00 0.00 O ATOM 0 H GLY A 66 11.572 0.034 12.977 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.398 0.566 13.054 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.630 1.299 14.629 1.00 0.00 H new ATOM 1125 N GLU A 67 10.844 3.188 12.283 1.00 0.00 N ATOM 1126 CA GLU A 67 10.846 4.533 11.684 1.00 0.00 C ATOM 1127 C GLU A 67 10.000 4.592 10.409 1.00 0.00 C ATOM 1128 O GLU A 67 9.931 3.624 9.653 1.00 0.00 O ATOM 1129 CB GLU A 67 12.282 4.987 11.381 1.00 0.00 C ATOM 1130 CG GLU A 67 13.066 5.351 12.646 1.00 0.00 C ATOM 1131 CD GLU A 67 12.659 6.730 13.204 1.00 0.00 C ATOM 1132 OE1 GLU A 67 11.723 6.803 14.037 1.00 0.00 O ATOM 1133 OE2 GLU A 67 13.272 7.752 12.813 1.00 0.00 O ATOM 0 H GLU A 67 11.707 2.672 12.111 1.00 0.00 H new ATOM 0 HA GLU A 67 10.401 5.211 12.412 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.806 4.192 10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.253 5.850 10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.899 4.589 13.407 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.133 5.351 12.423 1.00 0.00 H new ATOM 1140 N LEU A 68 9.373 5.742 10.154 1.00 0.00 N ATOM 1141 CA LEU A 68 8.448 5.914 9.027 1.00 0.00 C ATOM 1142 C LEU A 68 9.200 5.991 7.685 1.00 0.00 C ATOM 1143 O LEU A 68 9.994 6.907 7.455 1.00 0.00 O ATOM 1144 CB LEU A 68 7.561 7.154 9.268 1.00 0.00 C ATOM 1145 CG LEU A 68 6.421 7.321 8.242 1.00 0.00 C ATOM 1146 CD1 LEU A 68 5.329 6.263 8.412 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.763 8.690 8.411 1.00 0.00 C ATOM 0 H LEU A 68 9.491 6.581 10.721 1.00 0.00 H new ATOM 0 HA LEU A 68 7.802 5.039 8.965 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.130 7.091 10.267 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.188 8.046 9.247 1.00 0.00 H new ATOM 0 HG LEU A 68 6.872 7.214 7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.549 6.422 7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.760 5.271 8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.899 6.341 9.410 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.959 8.800 7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.355 8.776 9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.505 9.472 8.253 1.00 0.00 H new ATOM 1159 N PHE A 69 8.908 5.054 6.780 1.00 0.00 N ATOM 1160 CA PHE A 69 9.381 5.050 5.393 1.00 0.00 C ATOM 1161 C PHE A 69 8.473 5.896 4.488 1.00 0.00 C ATOM 1162 O PHE A 69 8.954 6.791 3.789 1.00 0.00 O ATOM 1163 CB PHE A 69 9.479 3.595 4.912 1.00 0.00 C ATOM 1164 CG PHE A 69 9.712 3.432 3.421 1.00 0.00 C ATOM 1165 CD1 PHE A 69 8.785 2.719 2.639 1.00 0.00 C ATOM 1166 CD2 PHE A 69 10.853 3.986 2.811 1.00 0.00 C ATOM 1167 CE1 PHE A 69 9.001 2.551 1.260 1.00 0.00 C ATOM 1168 CE2 PHE A 69 11.059 3.832 1.429 1.00 0.00 C ATOM 1169 CZ PHE A 69 10.132 3.116 0.649 1.00 0.00 C ATOM 0 H PHE A 69 8.317 4.252 6.999 1.00 0.00 H new ATOM 0 HA PHE A 69 10.369 5.508 5.342 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.291 3.104 5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.559 3.075 5.181 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.903 2.299 3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.572 4.530 3.406 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.295 1.986 0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.932 4.265 0.964 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.290 3.002 -0.413 1.00 0.00 H new ATOM 1179 N ALA A 70 7.160 5.643 4.529 1.00 0.00 N ATOM 1180 CA ALA A 70 6.147 6.369 3.761 1.00 0.00 C ATOM 1181 C ALA A 70 4.747 6.257 4.397 1.00 0.00 C ATOM 1182 O ALA A 70 4.487 5.351 5.195 1.00 0.00 O ATOM 1183 CB ALA A 70 6.128 5.822 2.325 1.00 0.00 C ATOM 0 H ALA A 70 6.764 4.907 5.114 1.00 0.00 H new ATOM 0 HA ALA A 70 6.408 7.427 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.377 6.355 1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.108 5.963 1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.886 4.759 2.344 1.00 0.00 H new ATOM 1189 N GLN A 71 3.839 7.159 4.007 1.00 0.00 N ATOM 1190 CA GLN A 71 2.417 7.127 4.375 1.00 0.00 C ATOM 1191 C GLN A 71 1.506 7.582 3.219 1.00 0.00 C ATOM 1192 O GLN A 71 1.800 8.579 2.556 1.00 0.00 O ATOM 1193 CB GLN A 71 2.163 7.921 5.672 1.00 0.00 C ATOM 1194 CG GLN A 71 2.615 9.394 5.647 1.00 0.00 C ATOM 1195 CD GLN A 71 2.423 10.108 6.988 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.695 9.682 7.876 1.00 0.00 O ATOM 1197 NE2 GLN A 71 3.074 11.232 7.194 1.00 0.00 N ATOM 0 H GLN A 71 4.078 7.952 3.412 1.00 0.00 H new ATOM 0 HA GLN A 71 2.153 6.088 4.574 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.096 7.890 5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.673 7.416 6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.667 9.439 5.366 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.056 9.926 4.877 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.686 11.607 6.469 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.967 11.729 8.078 1.00 0.00 H new ATOM 1206 N ALA A 72 0.405 6.858 2.985 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.592 7.114 1.937 1.00 0.00 C ATOM 1208 C ALA A 72 -2.009 7.307 2.520 1.00 0.00 C ATOM 1209 O ALA A 72 -2.529 6.360 3.119 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.630 5.922 0.974 1.00 0.00 C ATOM 0 H ALA A 72 0.174 6.039 3.547 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.300 8.030 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.369 6.108 0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.352 5.790 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.900 5.020 1.522 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.677 8.460 2.323 1.00 0.00 N ATOM 1217 CA PRO A 73 -4.069 8.659 2.734 1.00 0.00 C ATOM 1218 C PRO A 73 -5.054 8.077 1.703 1.00 0.00 C ATOM 1219 O PRO A 73 -5.019 8.443 0.525 1.00 0.00 O ATOM 1220 CB PRO A 73 -4.213 10.174 2.896 1.00 0.00 C ATOM 1221 CG PRO A 73 -3.230 10.744 1.871 1.00 0.00 C ATOM 1222 CD PRO A 73 -2.112 9.701 1.806 1.00 0.00 C ATOM 0 HA PRO A 73 -4.307 8.136 3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.233 10.503 2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.966 10.494 3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.703 10.882 0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.850 11.717 2.182 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.761 9.571 0.782 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.253 10.014 2.400 1.00 0.00 H new ATOM 1230 N VAL A 74 -5.962 7.205 2.153 1.00 0.00 N ATOM 1231 CA VAL A 74 -6.992 6.502 1.361 1.00 0.00 C ATOM 1232 C VAL A 74 -8.389 6.885 1.872 1.00 0.00 C ATOM 1233 O VAL A 74 -8.683 6.723 3.054 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.815 4.962 1.453 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -7.849 4.208 0.607 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -5.420 4.438 1.097 1.00 0.00 C ATOM 0 H VAL A 74 -6.005 6.951 3.140 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.882 6.801 0.319 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.969 4.763 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.685 3.135 0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.852 4.454 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.745 4.498 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.404 3.352 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.178 4.715 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.684 4.873 1.773 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.291 7.320 0.986 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.695 7.638 1.329 1.00 0.00 C ATOM 1248 C GLU A 75 -11.724 6.823 0.508 1.00 0.00 C ATOM 1249 O GLU A 75 -12.932 7.045 0.607 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.927 9.156 1.218 1.00 0.00 C ATOM 1251 CG GLU A 75 -11.925 9.655 2.274 1.00 0.00 C ATOM 1252 CD GLU A 75 -12.398 11.090 1.987 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -13.621 11.284 1.786 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -11.565 12.030 1.967 1.00 0.00 O ATOM 0 H GLU A 75 -9.072 7.465 0.000 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.860 7.335 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.978 9.679 1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.300 9.396 0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.787 8.988 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.460 9.617 3.259 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.252 5.876 -0.314 1.00 0.00 N ATOM 1262 CA GLN A 76 -12.054 4.943 -1.104 1.00 0.00 C ATOM 1263 C GLN A 76 -11.221 3.712 -1.506 1.00 0.00 C ATOM 1264 O GLN A 76 -10.036 3.848 -1.825 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.649 5.650 -2.344 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.694 5.993 -3.505 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.565 6.963 -3.157 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.692 8.175 -3.266 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.410 6.477 -2.749 1.00 0.00 N ATOM 0 H GLN A 76 -10.251 5.736 -0.450 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.884 4.595 -0.489 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.444 5.018 -2.740 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.115 6.577 -2.009 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.254 5.068 -3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.278 6.419 -4.321 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.286 5.469 -2.652 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.640 7.109 -2.530 1.00 0.00 H new ATOM 1278 N TYR A 77 -11.842 2.533 -1.544 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.220 1.289 -2.024 1.00 0.00 C ATOM 1280 C TYR A 77 -12.180 0.454 -2.903 1.00 0.00 C ATOM 1281 O TYR A 77 -13.280 0.139 -2.433 1.00 0.00 O ATOM 1282 CB TYR A 77 -10.717 0.473 -0.820 1.00 0.00 C ATOM 1283 CG TYR A 77 -9.806 -0.702 -1.143 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -8.772 -0.547 -2.082 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -9.896 -1.906 -0.420 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -7.819 -1.555 -2.288 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -8.971 -2.940 -0.656 1.00 0.00 C ATOM 1288 CZ TYR A 77 -7.929 -2.773 -1.589 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.032 -3.778 -1.784 1.00 0.00 O ATOM 0 H TYR A 77 -12.807 2.409 -1.238 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.376 1.554 -2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.184 1.146 -0.148 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.582 0.097 -0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.710 0.366 -2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.675 -2.037 0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.004 -1.398 -2.979 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.061 -3.871 -0.116 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.287 -3.678 -1.155 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.804 0.058 -4.142 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.612 0.460 -4.907 1.00 0.00 C ATOM 1301 C PRO A 78 -10.491 1.976 -5.143 1.00 0.00 C ATOM 1302 O PRO A 78 -11.494 2.693 -5.142 1.00 0.00 O ATOM 1303 CB PRO A 78 -10.702 -0.287 -6.245 1.00 0.00 C ATOM 1304 CG PRO A 78 -11.560 -1.504 -5.912 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.555 -0.925 -4.911 1.00 0.00 C ATOM 0 HA PRO A 78 -9.719 0.205 -4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.160 0.328 -7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.717 -0.577 -6.610 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.057 -1.907 -6.795 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.971 -2.313 -5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.400 -0.462 -5.420 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.960 -1.704 -4.264 1.00 0.00 H new ATOM 1313 N GLY A 79 -9.267 2.469 -5.355 1.00 0.00 N ATOM 1314 CA GLY A 79 -8.995 3.881 -5.640 1.00 0.00 C ATOM 1315 C GLY A 79 -7.570 4.140 -6.137 1.00 0.00 C ATOM 1316 O GLY A 79 -6.832 3.216 -6.471 1.00 0.00 O ATOM 0 H GLY A 79 -8.427 1.891 -5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.703 4.235 -6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.168 4.466 -4.737 1.00 0.00 H new ATOM 1320 N ILE A 80 -7.162 5.411 -6.155 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.804 5.827 -6.558 1.00 0.00 C ATOM 1322 C ILE A 80 -4.796 5.615 -5.420 1.00 0.00 C ATOM 1323 O ILE A 80 -3.604 5.424 -5.662 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.820 7.286 -7.082 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.473 7.764 -7.667 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -6.243 8.303 -6.004 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -3.926 6.893 -8.805 1.00 0.00 C ATOM 0 H ILE A 80 -7.764 6.191 -5.890 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.472 5.193 -7.380 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.559 7.252 -7.882 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.592 8.784 -8.033 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.735 7.797 -6.865 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.236 9.307 -6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.247 8.065 -5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.546 8.258 -5.167 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.978 7.303 -9.154 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.770 5.877 -8.443 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.640 6.879 -9.628 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.277 5.619 -4.171 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.434 5.505 -2.993 1.00 0.00 C ATOM 1341 C ALA A 81 -4.203 4.070 -2.518 1.00 0.00 C ATOM 1342 O ALA A 81 -3.240 3.834 -1.798 1.00 0.00 O ATOM 1343 CB ALA A 81 -4.989 6.403 -1.893 1.00 0.00 C ATOM 0 H ALA A 81 -6.271 5.702 -3.957 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.437 5.846 -3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.361 6.322 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.999 7.437 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.005 6.093 -1.648 1.00 0.00 H new ATOM 1349 N VAL A 82 -5.034 3.122 -2.946 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.719 1.691 -2.934 1.00 0.00 C ATOM 1351 C VAL A 82 -5.400 0.988 -4.116 1.00 0.00 C ATOM 1352 O VAL A 82 -6.623 1.014 -4.268 1.00 0.00 O ATOM 1353 CB VAL A 82 -5.051 1.061 -1.578 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.466 1.314 -1.070 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.582 -0.392 -1.521 1.00 0.00 C ATOM 0 H VAL A 82 -5.961 3.328 -3.318 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.645 1.560 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.466 1.601 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.599 0.826 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.627 2.386 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.186 0.911 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.830 -0.816 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.078 -0.965 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.503 -0.432 -1.670 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.587 0.369 -4.968 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.994 -0.323 -6.200 1.00 0.00 C ATOM 1367 C GLU A 83 -4.314 -1.692 -6.326 1.00 0.00 C ATOM 1368 O GLU A 83 -3.186 -1.871 -5.867 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.648 0.557 -7.421 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.808 0.724 -8.407 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.114 -0.571 -9.179 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.901 -1.401 -8.664 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -5.560 -0.763 -10.286 1.00 0.00 O ATOM 0 H GLU A 83 -3.579 0.331 -4.816 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.070 -0.492 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.335 1.541 -7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.798 0.119 -7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.699 1.039 -7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.568 1.517 -9.115 1.00 0.00 H new ATOM 1380 N THR A 84 -4.951 -2.645 -7.005 1.00 0.00 N ATOM 1381 CA THR A 84 -4.383 -3.965 -7.306 1.00 0.00 C ATOM 1382 C THR A 84 -3.998 -4.021 -8.777 1.00 0.00 C ATOM 1383 O THR A 84 -4.704 -4.580 -9.609 1.00 0.00 O ATOM 1384 CB THR A 84 -5.326 -5.119 -6.966 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.042 -4.890 -5.767 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.546 -6.419 -6.815 1.00 0.00 C ATOM 0 H THR A 84 -5.895 -2.522 -7.370 1.00 0.00 H new ATOM 0 HA THR A 84 -3.504 -4.091 -6.674 1.00 0.00 H new ATOM 0 HB THR A 84 -6.035 -5.191 -7.790 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.444 -5.011 -5.000 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.233 -7.230 -6.573 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.032 -6.646 -7.749 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.814 -6.313 -6.015 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.833 -3.439 -9.050 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.922 -3.681 -10.188 1.00 0.00 C ATOM 1396 C VAL A 85 -2.565 -4.002 -11.546 1.00 0.00 C ATOM 1397 O VAL A 85 -2.561 -3.151 -12.437 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.844 -4.714 -9.804 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.259 -4.011 -9.011 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.366 -5.889 -8.965 1.00 0.00 C ATOM 0 H VAL A 85 -2.460 -2.720 -8.430 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.465 -2.708 -10.372 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.478 -5.133 -10.742 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.026 -4.734 -8.735 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.704 -3.226 -9.623 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.166 -3.571 -8.109 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.544 -6.568 -8.739 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.791 -5.511 -8.035 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.134 -6.423 -9.525 1.00 0.00 H new ATOM 1410 N THR A 86 -3.085 -5.218 -11.705 1.00 0.00 N ATOM 1411 CA THR A 86 -4.165 -5.556 -12.647 1.00 0.00 C ATOM 1412 C THR A 86 -5.199 -6.482 -12.008 1.00 0.00 C ATOM 1413 O THR A 86 -6.401 -6.240 -12.128 1.00 0.00 O ATOM 1414 CB THR A 86 -3.661 -6.252 -13.914 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.811 -7.328 -13.590 1.00 0.00 O ATOM 1416 CG2 THR A 86 -2.871 -5.289 -14.780 1.00 0.00 C ATOM 0 H THR A 86 -2.761 -6.023 -11.169 1.00 0.00 H new ATOM 0 HA THR A 86 -4.610 -4.597 -12.913 1.00 0.00 H new ATOM 0 HB THR A 86 -4.539 -6.612 -14.451 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.502 -7.760 -14.413 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.523 -5.806 -15.674 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.508 -4.453 -15.069 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.014 -4.916 -14.220 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.737 -7.546 -11.339 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.613 -8.596 -10.797 1.00 0.00 C ATOM 1426 C ASP A 87 -5.017 -9.372 -9.606 1.00 0.00 C ATOM 1427 O ASP A 87 -5.584 -9.366 -8.514 1.00 0.00 O ATOM 1428 CB ASP A 87 -5.973 -9.565 -11.934 1.00 0.00 C ATOM 1429 CG ASP A 87 -7.137 -10.485 -11.541 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -6.879 -11.624 -11.093 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -8.310 -10.067 -11.696 1.00 0.00 O ATOM 0 H ASP A 87 -3.746 -7.704 -11.158 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.498 -8.099 -10.400 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.241 -8.998 -12.826 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.102 -10.168 -12.189 1.00 0.00 H new ATOM 1436 N SER A 88 -3.867 -10.026 -9.808 1.00 0.00 N ATOM 1437 CA SER A 88 -3.223 -10.875 -8.790 1.00 0.00 C ATOM 1438 C SER A 88 -2.693 -10.078 -7.595 1.00 0.00 C ATOM 1439 O SER A 88 -1.859 -9.183 -7.732 1.00 0.00 O ATOM 1440 CB SER A 88 -2.107 -11.735 -9.378 1.00 0.00 C ATOM 1441 OG SER A 88 -2.206 -13.061 -8.887 1.00 0.00 O ATOM 0 H SER A 88 -3.351 -9.983 -10.687 1.00 0.00 H new ATOM 0 HA SER A 88 -4.012 -11.533 -8.426 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.172 -11.736 -10.466 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.136 -11.314 -9.117 1.00 0.00 H new ATOM 0 HG SER A 88 -1.720 -13.668 -9.483 1.00 0.00 H new ATOM 1447 N SER A 89 -3.152 -10.425 -6.398 1.00 0.00 N ATOM 1448 CA SER A 89 -3.066 -9.533 -5.242 1.00 0.00 C ATOM 1449 C SER A 89 -1.870 -9.746 -4.311 1.00 0.00 C ATOM 1450 O SER A 89 -1.861 -9.193 -3.215 1.00 0.00 O ATOM 1451 CB SER A 89 -4.403 -9.540 -4.520 1.00 0.00 C ATOM 1452 OG SER A 89 -4.629 -10.809 -3.926 1.00 0.00 O ATOM 0 H SER A 89 -3.591 -11.324 -6.200 1.00 0.00 H new ATOM 0 HA SER A 89 -2.858 -8.536 -5.630 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.416 -8.764 -3.755 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.205 -9.310 -5.221 1.00 0.00 H new ATOM 0 HG SER A 89 -5.492 -10.804 -3.462 1.00 0.00 H new ATOM 1458 N ARG A 90 -0.812 -10.462 -4.743 1.00 0.00 N ATOM 1459 CA ARG A 90 0.519 -10.361 -4.096 1.00 0.00 C ATOM 1460 C ARG A 90 1.017 -8.909 -4.092 1.00 0.00 C ATOM 1461 O ARG A 90 1.716 -8.500 -3.161 1.00 0.00 O ATOM 1462 CB ARG A 90 1.547 -11.278 -4.796 1.00 0.00 C ATOM 1463 CG ARG A 90 2.944 -11.172 -4.152 1.00 0.00 C ATOM 1464 CD ARG A 90 3.984 -12.113 -4.767 1.00 0.00 C ATOM 1465 NE ARG A 90 5.303 -11.888 -4.141 1.00 0.00 N ATOM 1466 CZ ARG A 90 6.486 -11.809 -4.728 1.00 0.00 C ATOM 1467 NH1 ARG A 90 7.573 -11.657 -4.035 1.00 0.00 N ATOM 1468 NH2 ARG A 90 6.674 -11.863 -6.010 1.00 0.00 N ATOM 0 H ARG A 90 -0.848 -11.111 -5.529 1.00 0.00 H new ATOM 0 HA ARG A 90 0.411 -10.692 -3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.203 -12.311 -4.749 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.612 -11.011 -5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.298 -10.145 -4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.859 -11.386 -3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.677 -13.149 -4.625 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.049 -11.944 -5.842 1.00 0.00 H new ATOM 0 HE ARG A 90 5.301 -11.780 -3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.525 -11.596 -3.018 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.475 -11.598 -4.508 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.878 -11.973 -6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.618 -11.795 -6.390 1.00 0.00 H new ATOM 1482 N TYR A 91 0.663 -8.153 -5.132 1.00 0.00 N ATOM 1483 CA TYR A 91 1.095 -6.775 -5.340 1.00 0.00 C ATOM 1484 C TYR A 91 -0.047 -5.772 -5.210 1.00 0.00 C ATOM 1485 O TYR A 91 -1.211 -6.094 -5.451 1.00 0.00 O ATOM 1486 CB TYR A 91 1.741 -6.618 -6.721 1.00 0.00 C ATOM 1487 CG TYR A 91 2.609 -7.773 -7.150 1.00 0.00 C ATOM 1488 CD1 TYR A 91 2.137 -8.662 -8.133 1.00 0.00 C ATOM 1489 CD2 TYR A 91 3.853 -7.977 -6.534 1.00 0.00 C ATOM 1490 CE1 TYR A 91 2.909 -9.771 -8.514 1.00 0.00 C ATOM 1491 CE2 TYR A 91 4.618 -9.103 -6.887 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.150 -10.004 -7.870 1.00 0.00 C ATOM 1493 OH TYR A 91 4.900 -11.101 -8.158 1.00 0.00 O ATOM 0 H TYR A 91 0.050 -8.494 -5.873 1.00 0.00 H new ATOM 0 HA TYR A 91 1.821 -6.560 -4.556 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.953 -6.480 -7.461 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.343 -5.709 -6.723 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.177 -8.491 -8.596 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.219 -7.277 -5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.561 -10.439 -9.289 1.00 0.00 H new ATOM 0 HE2 TYR A 91 5.568 -9.280 -6.404 1.00 0.00 H new ATOM 0 HH TYR A 91 5.822 -10.827 -8.346 1.00 0.00 H new ATOM 1503 N PHE A 92 0.325 -4.530 -4.910 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.559 -3.366 -4.889 1.00 0.00 C ATOM 1505 C PHE A 92 0.193 -2.120 -5.371 1.00 0.00 C ATOM 1506 O PHE A 92 1.411 -2.148 -5.532 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.112 -3.162 -3.468 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.902 -4.344 -2.945 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -3.228 -4.554 -3.372 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.302 -5.252 -2.050 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -3.949 -5.671 -2.912 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.033 -6.353 -1.574 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.351 -6.570 -2.013 1.00 0.00 C ATOM 0 H PHE A 92 1.287 -4.297 -4.665 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.396 -3.536 -5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.282 -2.963 -2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.750 -2.278 -3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.692 -3.856 -4.054 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.281 -5.102 -1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.961 -5.837 -3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.581 -7.035 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.904 -7.428 -1.659 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.516 -1.012 -5.571 1.00 0.00 N ATOM 1524 CA VAL A 93 0.062 0.327 -5.744 1.00 0.00 C ATOM 1525 C VAL A 93 -0.655 1.300 -4.818 1.00 0.00 C ATOM 1526 O VAL A 93 -1.883 1.270 -4.735 1.00 0.00 O ATOM 1527 CB VAL A 93 -0.009 0.807 -7.206 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.615 2.199 -7.351 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.734 -0.151 -8.145 1.00 0.00 C ATOM 0 H VAL A 93 -1.535 -1.016 -5.619 1.00 0.00 H new ATOM 0 HA VAL A 93 1.120 0.282 -5.485 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.064 0.838 -7.478 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.554 2.518 -8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.075 2.907 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.660 2.163 -7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.665 0.216 -9.169 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.782 -0.209 -7.850 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.284 -1.142 -8.084 1.00 0.00 H new ATOM 1539 N ILE A 94 0.096 2.166 -4.134 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.446 3.204 -3.247 1.00 0.00 C ATOM 1541 C ILE A 94 0.158 4.582 -3.562 1.00 0.00 C ATOM 1542 O ILE A 94 1.311 4.682 -3.996 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.309 2.810 -1.751 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.158 2.809 -1.283 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.940 1.431 -1.456 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.280 2.695 0.236 1.00 0.00 C ATOM 0 H ILE A 94 1.115 2.168 -4.180 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.516 3.284 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.853 3.572 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.686 1.979 -1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.645 3.725 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.821 1.195 -0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.001 1.455 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.444 0.668 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.333 2.698 0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.776 3.539 0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.818 1.766 0.569 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.612 5.654 -3.325 1.00 0.00 N ATOM 1559 CA ARG A 95 -0.148 7.055 -3.453 1.00 0.00 C ATOM 1560 C ARG A 95 0.286 7.617 -2.097 1.00 0.00 C ATOM 1561 O ARG A 95 -0.535 7.827 -1.211 1.00 0.00 O ATOM 1562 CB ARG A 95 -1.174 7.929 -4.209 1.00 0.00 C ATOM 1563 CG ARG A 95 -2.439 8.322 -3.433 1.00 0.00 C ATOM 1564 CD ARG A 95 -2.387 9.691 -2.756 1.00 0.00 C ATOM 1565 NE ARG A 95 -3.579 9.861 -1.900 1.00 0.00 N ATOM 1566 CZ ARG A 95 -4.652 10.594 -2.128 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -5.664 10.501 -1.318 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -4.753 11.403 -3.144 1.00 0.00 N ATOM 0 H ARG A 95 -1.587 5.578 -3.035 1.00 0.00 H new ATOM 0 HA ARG A 95 0.746 7.072 -4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.673 8.842 -4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.478 7.397 -5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.286 8.305 -4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.629 7.565 -2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.480 9.779 -2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.350 10.479 -3.508 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.571 9.346 -1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.622 9.868 -0.519 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.501 11.061 -1.481 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.981 11.490 -3.805 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.604 11.949 -3.278 1.00 0.00 H new ATOM 1582 N ILE A 96 1.576 7.850 -1.922 1.00 0.00 N ATOM 1583 CA ILE A 96 2.195 8.327 -0.677 1.00 0.00 C ATOM 1584 C ILE A 96 2.519 9.822 -0.727 1.00 0.00 C ATOM 1585 O ILE A 96 2.673 10.402 -1.802 1.00 0.00 O ATOM 1586 CB ILE A 96 3.456 7.505 -0.328 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.498 7.530 -1.466 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.053 6.067 0.027 1.00 0.00 C ATOM 1589 CD1 ILE A 96 5.899 7.123 -1.020 1.00 0.00 C ATOM 0 H ILE A 96 2.256 7.709 -2.669 1.00 0.00 H new ATOM 0 HA ILE A 96 1.460 8.181 0.115 1.00 0.00 H new ATOM 0 HB ILE A 96 3.933 7.965 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.171 6.861 -2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.538 8.534 -1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.944 5.490 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.380 6.079 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.548 5.610 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.578 7.164 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.247 7.806 -0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.874 6.108 -0.624 1.00 0.00 H new ATOM 1601 N GLN A 97 2.717 10.433 0.438 1.00 0.00 N ATOM 1602 CA GLN A 97 3.524 11.649 0.551 1.00 0.00 C ATOM 1603 C GLN A 97 5.018 11.280 0.412 1.00 0.00 C ATOM 1604 O GLN A 97 5.465 10.319 1.041 1.00 0.00 O ATOM 1605 CB GLN A 97 3.231 12.315 1.906 1.00 0.00 C ATOM 1606 CG GLN A 97 3.720 13.770 1.967 1.00 0.00 C ATOM 1607 CD GLN A 97 2.610 14.772 1.652 1.00 0.00 C ATOM 1608 OE1 GLN A 97 1.792 15.126 2.491 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.532 15.260 0.434 1.00 0.00 N ATOM 0 H GLN A 97 2.328 10.105 1.322 1.00 0.00 H new ATOM 0 HA GLN A 97 3.274 12.355 -0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.158 12.288 2.095 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.709 11.741 2.700 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.119 13.975 2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.539 13.905 1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.207 14.973 -0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.796 15.925 0.197 1.00 0.00 H new ATOM 1682 N SER A 103 3.818 14.407 -3.486 1.00 0.00 N ATOM 1683 CA SER A 103 3.328 13.021 -3.497 1.00 0.00 C ATOM 1684 C SER A 103 4.045 12.145 -4.535 1.00 0.00 C ATOM 1685 O SER A 103 4.562 12.634 -5.543 1.00 0.00 O ATOM 1686 CB SER A 103 1.806 12.990 -3.690 1.00 0.00 C ATOM 1687 OG SER A 103 1.430 13.658 -4.886 1.00 0.00 O ATOM 0 HA SER A 103 3.563 12.589 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.461 11.957 -3.723 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.318 13.462 -2.837 1.00 0.00 H new ATOM 0 HG SER A 103 2.037 14.411 -5.045 1.00 0.00 H new ATOM 1693 N ALA A 104 4.078 10.835 -4.273 1.00 0.00 N ATOM 1694 CA ALA A 104 4.638 9.805 -5.158 1.00 0.00 C ATOM 1695 C ALA A 104 3.777 8.529 -5.194 1.00 0.00 C ATOM 1696 O ALA A 104 3.100 8.203 -4.222 1.00 0.00 O ATOM 1697 CB ALA A 104 6.077 9.505 -4.719 1.00 0.00 C ATOM 0 H ALA A 104 3.702 10.447 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 104 4.641 10.186 -6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.504 8.741 -5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.675 10.414 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.076 9.146 -3.690 1.00 0.00 H new ATOM 1703 N PHE A 105 3.826 7.775 -6.294 1.00 0.00 N ATOM 1704 CA PHE A 105 3.240 6.430 -6.377 1.00 0.00 C ATOM 1705 C PHE A 105 4.309 5.358 -6.122 1.00 0.00 C ATOM 1706 O PHE A 105 5.373 5.380 -6.747 1.00 0.00 O ATOM 1707 CB PHE A 105 2.542 6.233 -7.730 1.00 0.00 C ATOM 1708 CG PHE A 105 1.567 7.343 -8.075 1.00 0.00 C ATOM 1709 CD1 PHE A 105 1.942 8.347 -8.989 1.00 0.00 C ATOM 1710 CD2 PHE A 105 0.313 7.413 -7.437 1.00 0.00 C ATOM 1711 CE1 PHE A 105 1.071 9.417 -9.258 1.00 0.00 C ATOM 1712 CE2 PHE A 105 -0.562 8.477 -7.721 1.00 0.00 C ATOM 1713 CZ PHE A 105 -0.186 9.479 -8.630 1.00 0.00 C ATOM 0 H PHE A 105 4.275 8.079 -7.158 1.00 0.00 H new ATOM 0 HA PHE A 105 2.484 6.325 -5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.297 6.167 -8.513 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.009 5.282 -7.720 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.900 8.295 -9.484 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.023 6.650 -6.730 1.00 0.00 H new ATOM 0 HE1 PHE A 105 1.368 10.193 -9.948 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -1.527 8.523 -7.238 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.860 10.295 -8.846 1.00 0.00 H new ATOM 1723 N ILE A 106 4.020 4.403 -5.235 1.00 0.00 N ATOM 1724 CA ILE A 106 4.852 3.206 -5.013 1.00 0.00 C ATOM 1725 C ILE A 106 4.076 1.909 -5.245 1.00 0.00 C ATOM 1726 O ILE A 106 2.958 1.734 -4.762 1.00 0.00 O ATOM 1727 CB ILE A 106 5.557 3.183 -3.637 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.598 3.375 -2.443 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.682 4.234 -3.617 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.218 3.005 -1.089 1.00 0.00 C ATOM 0 H ILE A 106 3.192 4.435 -4.640 1.00 0.00 H new ATOM 0 HA ILE A 106 5.639 3.272 -5.764 1.00 0.00 H new ATOM 0 HB ILE A 106 5.978 2.185 -3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.274 4.415 -2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.707 2.768 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.178 4.217 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.406 4.007 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.259 5.223 -3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.486 3.165 -0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.517 1.957 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.092 3.630 -0.906 1.00 0.00 H new ATOM 1742 N GLY A 107 4.713 0.978 -5.958 1.00 0.00 N ATOM 1743 CA GLY A 107 4.281 -0.412 -6.061 1.00 0.00 C ATOM 1744 C GLY A 107 4.784 -1.218 -4.867 1.00 0.00 C ATOM 1745 O GLY A 107 5.932 -1.066 -4.449 1.00 0.00 O ATOM 0 H GLY A 107 5.561 1.176 -6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.193 -0.458 -6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.657 -0.848 -6.986 1.00 0.00 H new ATOM 1749 N ILE A 108 3.929 -2.073 -4.321 1.00 0.00 N ATOM 1750 CA ILE A 108 4.208 -2.953 -3.184 1.00 0.00 C ATOM 1751 C ILE A 108 4.146 -4.411 -3.653 1.00 0.00 C ATOM 1752 O ILE A 108 3.337 -4.740 -4.520 1.00 0.00 O ATOM 1753 CB ILE A 108 3.220 -2.708 -2.017 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.116 -1.197 -1.702 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.678 -3.515 -0.792 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.402 -0.858 -0.392 1.00 0.00 C ATOM 0 H ILE A 108 2.977 -2.180 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 108 5.206 -2.732 -2.806 1.00 0.00 H new ATOM 0 HB ILE A 108 2.223 -3.045 -2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.122 -0.778 -1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.592 -0.705 -2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.987 -3.347 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.695 -4.576 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.678 -3.195 -0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.379 0.224 -0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.382 -1.241 -0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.935 -1.315 0.442 1.00 0.00 H new ATOM 1768 N GLY A 109 4.938 -5.289 -3.042 1.00 0.00 N ATOM 1769 CA GLY A 109 4.817 -6.743 -3.139 1.00 0.00 C ATOM 1770 C GLY A 109 5.046 -7.419 -1.786 1.00 0.00 C ATOM 1771 O GLY A 109 5.952 -7.055 -1.033 1.00 0.00 O ATOM 0 H GLY A 109 5.711 -4.997 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.826 -7.002 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.539 -7.121 -3.862 1.00 0.00 H new ATOM 1775 N PHE A 110 4.205 -8.398 -1.468 1.00 0.00 N ATOM 1776 CA PHE A 110 4.242 -9.142 -0.204 1.00 0.00 C ATOM 1777 C PHE A 110 5.002 -10.471 -0.295 1.00 0.00 C ATOM 1778 O PHE A 110 5.181 -11.052 -1.372 1.00 0.00 O ATOM 1779 CB PHE A 110 2.806 -9.333 0.292 1.00 0.00 C ATOM 1780 CG PHE A 110 2.250 -8.118 1.008 1.00 0.00 C ATOM 1781 CD1 PHE A 110 1.697 -7.044 0.282 1.00 0.00 C ATOM 1782 CD2 PHE A 110 2.318 -8.050 2.412 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.229 -5.905 0.960 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.836 -6.919 3.091 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.306 -5.841 2.362 1.00 0.00 C ATOM 0 H PHE A 110 3.460 -8.707 -2.093 1.00 0.00 H new ATOM 0 HA PHE A 110 4.808 -8.555 0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.165 -9.570 -0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 110 2.773 -10.189 0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.633 -7.096 -0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.743 -8.871 2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.810 -5.079 0.404 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.873 -6.878 4.170 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.957 -4.960 2.881 1.00 0.00 H new ATOM 1795 N THR A 111 5.434 -10.967 0.868 1.00 0.00 N ATOM 1796 CA THR A 111 6.155 -12.244 1.011 1.00 0.00 C ATOM 1797 C THR A 111 5.223 -13.465 1.013 1.00 0.00 C ATOM 1798 O THR A 111 5.618 -14.562 0.615 1.00 0.00 O ATOM 1799 CB THR A 111 7.040 -12.190 2.264 1.00 0.00 C ATOM 1800 OG1 THR A 111 8.063 -13.160 2.193 1.00 0.00 O ATOM 1801 CG2 THR A 111 6.285 -12.387 3.580 1.00 0.00 C ATOM 0 H THR A 111 5.292 -10.486 1.756 1.00 0.00 H new ATOM 0 HA THR A 111 6.788 -12.374 0.133 1.00 0.00 H new ATOM 0 HB THR A 111 7.450 -11.180 2.272 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.618 -13.110 2.999 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.986 -12.334 4.413 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.533 -11.606 3.688 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.797 -13.362 3.577 1.00 0.00 H new ATOM 1809 N ASP A 112 3.964 -13.266 1.420 1.00 0.00 N ATOM 1810 CA ASP A 112 2.918 -14.294 1.498 1.00 0.00 C ATOM 1811 C ASP A 112 1.595 -13.806 0.886 1.00 0.00 C ATOM 1812 O ASP A 112 1.200 -12.650 1.077 1.00 0.00 O ATOM 1813 CB ASP A 112 2.709 -14.709 2.964 1.00 0.00 C ATOM 1814 CG ASP A 112 2.021 -16.078 3.064 1.00 0.00 C ATOM 1815 OD1 ASP A 112 2.723 -17.103 3.239 1.00 0.00 O ATOM 1816 OD2 ASP A 112 0.777 -16.130 2.936 1.00 0.00 O ATOM 0 H ASP A 112 3.632 -12.348 1.716 1.00 0.00 H new ATOM 0 HA ASP A 112 3.246 -15.157 0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.671 -14.745 3.475 1.00 0.00 H new ATOM 0 HB3 ASP A 112 2.105 -13.958 3.474 1.00 0.00 H new ATOM 1821 N ARG A 113 0.868 -14.697 0.198 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.466 -14.403 -0.351 1.00 0.00 C ATOM 1823 C ARG A 113 -1.487 -14.058 0.728 1.00 0.00 C ATOM 1824 O ARG A 113 -2.301 -13.169 0.502 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.971 -15.592 -1.188 1.00 0.00 C ATOM 1826 CG ARG A 113 -0.352 -15.636 -2.591 1.00 0.00 C ATOM 1827 CD ARG A 113 -0.926 -14.539 -3.498 1.00 0.00 C ATOM 1828 NE ARG A 113 -0.301 -14.602 -4.832 1.00 0.00 N ATOM 1829 CZ ARG A 113 -0.788 -14.135 -5.965 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -0.106 -14.239 -7.065 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -1.944 -13.546 -6.048 1.00 0.00 N ATOM 0 H ARG A 113 1.188 -15.646 0.005 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.358 -13.523 -0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.743 -16.521 -0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -2.056 -15.534 -1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.729 -15.518 -2.516 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.536 -16.612 -3.040 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.006 -14.660 -3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.751 -13.560 -3.052 1.00 0.00 H new ATOM 0 HE ARG A 113 0.610 -15.058 -4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.812 -14.684 -7.056 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -0.488 -13.876 -7.938 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.518 -13.428 -5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -2.277 -13.201 -6.948 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.432 -14.698 1.895 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.298 -14.375 3.031 1.00 0.00 C ATOM 1847 C GLY A 114 -1.975 -13.012 3.649 1.00 0.00 C ATOM 1848 O GLY A 114 -2.891 -12.278 4.015 1.00 0.00 O ATOM 0 H GLY A 114 -0.781 -15.461 2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.338 -14.384 2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.196 -15.148 3.792 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.698 -12.616 3.684 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.301 -11.281 4.156 1.00 0.00 C ATOM 1854 C ASP A 115 -0.762 -10.169 3.196 1.00 0.00 C ATOM 1855 O ASP A 115 -1.216 -9.113 3.641 1.00 0.00 O ATOM 1856 CB ASP A 115 1.211 -11.218 4.434 1.00 0.00 C ATOM 1857 CG ASP A 115 1.626 -11.981 5.709 1.00 0.00 C ATOM 1858 OD1 ASP A 115 0.864 -11.968 6.707 1.00 0.00 O ATOM 1859 OD2 ASP A 115 2.738 -12.554 5.732 1.00 0.00 O ATOM 0 H ASP A 115 0.083 -13.203 3.390 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.813 -11.102 5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.748 -11.631 3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.514 -10.175 4.528 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.747 -10.425 1.884 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.279 -9.496 0.886 1.00 0.00 C ATOM 1866 C ALA A 116 -2.820 -9.462 0.859 1.00 0.00 C ATOM 1867 O ALA A 116 -3.432 -8.395 0.792 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.719 -9.881 -0.478 1.00 0.00 C ATOM 0 H ALA A 116 -0.365 -11.283 1.485 1.00 0.00 H new ATOM 0 HA ALA A 116 -0.966 -8.487 1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.105 -9.199 -1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.369 -9.820 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.020 -10.900 -0.720 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.473 -10.621 0.972 1.00 0.00 N ATOM 1875 CA PHE A 117 -4.931 -10.706 1.087 1.00 0.00 C ATOM 1876 C PHE A 117 -5.451 -10.034 2.376 1.00 0.00 C ATOM 1877 O PHE A 117 -6.547 -9.480 2.375 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.358 -12.175 0.971 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.800 -12.394 0.557 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.798 -12.586 1.529 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.133 -12.460 -0.812 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -9.118 -12.875 1.133 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.451 -12.744 -1.207 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.442 -12.964 -0.233 1.00 0.00 C ATOM 0 H PHE A 117 -3.006 -11.528 0.986 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.388 -10.148 0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.709 -12.670 0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -5.194 -12.662 1.932 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.552 -12.512 2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -6.372 -12.292 -1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.883 -13.029 1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -8.703 -12.793 -2.256 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.452 -13.201 -0.534 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.647 -9.979 3.445 1.00 0.00 N ATOM 1895 CA ASP A 118 -4.938 -9.210 4.660 1.00 0.00 C ATOM 1896 C ASP A 118 -4.750 -7.701 4.437 1.00 0.00 C ATOM 1897 O ASP A 118 -5.564 -6.915 4.927 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.040 -9.678 5.814 1.00 0.00 C ATOM 1899 CG ASP A 118 -4.474 -10.974 6.519 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -3.621 -11.535 7.250 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -5.654 -11.389 6.428 1.00 0.00 O ATOM 0 H ASP A 118 -3.758 -10.478 3.490 1.00 0.00 H new ATOM 0 HA ASP A 118 -5.983 -9.386 4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.030 -9.817 5.429 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.991 -8.882 6.557 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.740 -7.278 3.660 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.585 -5.880 3.244 1.00 0.00 C ATOM 1908 C PHE A 119 -4.826 -5.382 2.481 1.00 0.00 C ATOM 1909 O PHE A 119 -5.294 -4.266 2.706 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.292 -5.705 2.430 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.146 -4.342 1.775 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -1.406 -3.326 2.396 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -2.775 -4.072 0.548 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -1.337 -2.048 1.831 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.683 -2.798 -0.040 1.00 0.00 C ATOM 1916 CZ PHE A 119 -1.973 -1.778 0.610 1.00 0.00 C ATOM 0 H PHE A 119 -3.011 -7.896 3.305 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.500 -5.259 4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.438 -5.873 3.086 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.256 -6.473 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -0.884 -3.532 3.319 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.335 -4.851 0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -0.791 -1.265 2.337 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.158 -2.605 -0.990 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.916 -0.792 0.174 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.411 -6.235 1.634 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.684 -5.969 0.973 1.00 0.00 C ATOM 1928 C ASN A 120 -7.871 -5.983 1.955 1.00 0.00 C ATOM 1929 O ASN A 120 -8.578 -4.986 2.079 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.850 -6.962 -0.189 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.294 -7.100 -0.627 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -9.005 -8.016 -0.253 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.803 -6.152 -1.363 1.00 0.00 N ATOM 0 H ASN A 120 -5.006 -7.138 1.388 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.677 -4.957 0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.246 -6.632 -1.035 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.470 -7.938 0.113 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.789 -6.181 -1.621 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.215 -5.381 -1.680 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.121 -7.090 2.658 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.366 -7.286 3.423 1.00 0.00 C ATOM 1942 C VAL A 121 -9.486 -6.349 4.631 1.00 0.00 C ATOM 1943 O VAL A 121 -10.598 -5.928 4.955 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.519 -8.772 3.795 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.528 -9.054 4.918 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -9.958 -9.597 2.579 1.00 0.00 C ATOM 0 H VAL A 121 -7.473 -7.875 2.716 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.203 -7.008 2.782 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.529 -9.058 4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.568 -10.126 5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.218 -8.534 5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.515 -8.703 4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -10.059 -10.643 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.916 -9.226 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -9.211 -9.508 1.790 1.00 0.00 H new ATOM 1956 N SER A 122 -8.371 -5.928 5.240 1.00 0.00 N ATOM 1957 CA SER A 122 -8.382 -4.876 6.273 1.00 0.00 C ATOM 1958 C SER A 122 -8.897 -3.524 5.753 1.00 0.00 C ATOM 1959 O SER A 122 -9.483 -2.761 6.523 1.00 0.00 O ATOM 1960 CB SER A 122 -6.996 -4.697 6.900 1.00 0.00 C ATOM 1961 OG SER A 122 -6.011 -4.409 5.931 1.00 0.00 O ATOM 0 H SER A 122 -7.443 -6.300 5.036 1.00 0.00 H new ATOM 0 HA SER A 122 -9.081 -5.219 7.036 1.00 0.00 H new ATOM 0 HB2 SER A 122 -7.031 -3.891 7.633 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.721 -5.604 7.438 1.00 0.00 H new ATOM 0 HG SER A 122 -5.826 -5.214 5.403 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.754 -3.248 4.450 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.345 -2.086 3.779 1.00 0.00 C ATOM 1969 C LEU A 123 -10.757 -2.381 3.244 1.00 0.00 C ATOM 1970 O LEU A 123 -11.627 -1.520 3.340 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.408 -1.607 2.658 1.00 0.00 C ATOM 1972 CG LEU A 123 -6.998 -1.222 3.139 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.089 -0.999 1.936 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.006 0.041 4.007 1.00 0.00 C ATOM 0 H LEU A 123 -8.212 -3.840 3.821 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.457 -1.288 4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.322 -2.395 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.860 -0.746 2.165 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.627 -2.044 3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.091 -0.726 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.033 -1.915 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.492 -0.196 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -5.989 0.272 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.406 0.876 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.629 -0.125 4.886 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.033 -3.594 2.744 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.388 -3.995 2.323 1.00 0.00 C ATOM 1988 C GLN A 124 -13.388 -3.822 3.474 1.00 0.00 C ATOM 1989 O GLN A 124 -14.397 -3.143 3.314 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.430 -5.458 1.844 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.602 -5.775 0.590 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.316 -5.423 -0.712 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.190 -6.146 -1.173 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -11.980 -4.334 -1.368 1.00 0.00 N ATOM 0 H GLN A 124 -10.330 -4.322 2.620 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.663 -3.346 1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.083 -6.097 2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.468 -5.727 1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.660 -5.229 0.638 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.355 -6.837 0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -11.254 -3.720 -0.999 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.445 -4.103 -2.246 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.085 -4.354 4.662 1.00 0.00 N ATOM 2004 CA ASP A 125 -13.943 -4.237 5.853 1.00 0.00 C ATOM 2005 C ASP A 125 -13.895 -2.844 6.510 1.00 0.00 C ATOM 2006 O ASP A 125 -14.712 -2.547 7.380 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.526 -5.320 6.855 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.540 -5.515 7.990 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -15.708 -5.859 7.692 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -14.168 -5.376 9.180 1.00 0.00 O ATOM 0 H ASP A 125 -12.230 -4.884 4.829 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.977 -4.375 5.537 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.396 -6.264 6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.558 -5.058 7.282 1.00 0.00 H new ATOM 2015 N HIS A 126 -12.979 -1.969 6.082 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.980 -0.552 6.462 1.00 0.00 C ATOM 2017 C HIS A 126 -13.925 0.267 5.576 1.00 0.00 C ATOM 2018 O HIS A 126 -14.636 1.132 6.080 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.555 0.015 6.449 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.517 1.475 6.823 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -11.253 2.525 5.942 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.828 1.992 8.047 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.407 3.650 6.654 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.762 3.360 7.915 1.00 0.00 N ATOM 0 H HIS A 126 -12.213 -2.225 5.459 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.358 -0.477 7.482 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.934 -0.552 7.143 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.124 -0.115 5.456 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -12.076 1.438 8.940 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -11.265 4.648 6.267 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -11.951 4.039 8.652 1.00 0.00 H new ATOM 2032 N PHE A 127 -14.006 -0.045 4.278 1.00 0.00 N ATOM 2033 CA PHE A 127 -14.905 0.638 3.343 1.00 0.00 C ATOM 2034 C PHE A 127 -16.284 -0.027 3.174 1.00 0.00 C ATOM 2035 O PHE A 127 -17.197 0.624 2.664 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.172 0.915 2.020 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.102 1.987 2.169 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -11.739 1.640 2.222 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -13.478 3.335 2.326 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -10.761 2.626 2.441 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -12.504 4.318 2.574 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.145 3.965 2.628 1.00 0.00 C ATOM 0 H PHE A 127 -13.448 -0.781 3.845 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.166 1.598 3.788 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -13.713 -0.006 1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -14.894 1.227 1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -11.442 0.609 2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -14.519 3.615 2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -9.716 2.355 2.466 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -12.801 5.346 2.723 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.397 4.721 2.813 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.502 -1.263 3.660 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.797 -1.974 3.536 1.00 0.00 C ATOM 2054 C LYS A 128 -18.972 -1.271 4.232 1.00 0.00 C ATOM 2055 O LYS A 128 -20.117 -1.430 3.808 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.665 -3.462 3.929 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.577 -3.779 5.433 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.951 -4.039 6.060 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.938 -4.145 7.588 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.388 -5.438 8.069 1.00 0.00 N ATOM 0 H LYS A 128 -15.788 -1.801 4.151 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.056 -1.939 2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -18.520 -3.999 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.775 -3.863 3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -16.943 -4.653 5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -17.098 -2.947 5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -19.628 -3.236 5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.357 -4.963 5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.346 -3.328 8.000 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.954 -4.024 7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -18.586 -5.543 9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.832 -6.220 7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.360 -5.457 7.913 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.692 -0.494 5.282 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.672 0.290 6.054 1.00 0.00 C ATOM 2076 C TRP A 129 -19.650 1.798 5.716 1.00 0.00 C ATOM 2077 O TRP A 129 -20.410 2.583 6.285 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.453 -0.011 7.544 1.00 0.00 C ATOM 2079 CG TRP A 129 -18.071 0.257 8.063 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -17.055 -0.634 8.131 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.523 1.515 8.564 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.932 -0.018 8.636 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -16.157 1.311 8.921 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -18.044 2.815 8.730 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -15.349 2.344 9.420 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -17.243 3.862 9.231 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.898 3.630 9.573 1.00 0.00 C ATOM 0 H TRP A 129 -17.741 -0.387 5.635 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.681 -0.014 5.775 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -20.161 0.581 8.124 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.692 -1.059 7.724 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -17.116 -1.671 7.834 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -15.039 -0.490 8.782 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -19.073 3.012 8.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -14.319 2.154 9.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.665 4.849 9.353 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -15.289 4.437 9.952 1.00 0.00 H new ATOM 2098 N VAL A 130 -18.798 2.197 4.767 1.00 0.00 N ATOM 2099 CA VAL A 130 -18.598 3.566 4.249 1.00 0.00 C ATOM 2100 C VAL A 130 -19.263 3.684 2.862 1.00 0.00 C ATOM 2101 O VAL A 130 -19.827 2.719 2.338 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.074 3.863 4.236 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -16.630 5.222 3.678 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.493 3.792 5.656 1.00 0.00 C ATOM 0 H VAL A 130 -18.183 1.529 4.303 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.071 4.316 4.883 1.00 0.00 H new ATOM 0 HB VAL A 130 -16.701 3.094 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -15.544 5.298 3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -16.953 5.313 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -17.077 6.022 4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.424 4.003 5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -16.989 4.528 6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.653 2.794 6.065 1.00 0.00 H new