USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 847 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 120 ASN : amide:sc= 1.24 K(o=2,f=0.21) USER MOD Set 1.2: A 124 GLN : amide:sc= 0.758 K(o=2,f=1.2) USER MOD Set 2.1: A 44 THR OG1 : rot -160:sc= 0.794 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 151:sc= 0.903 (180deg=0) USER MOD Set 3.1: A 9 SER OG : rot 180:sc= 1.01 USER MOD Set 3.2: A 52 LYS NZ :NH3+ 143:sc= 1.2 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.171 USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 2.52 (180deg=2.15) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= 1.09 (180deg=0.92) USER MOD Single : A 40 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.38) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0112 USER MOD Single : A 51 SER OG : rot -51:sc= 0.357 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -119:sc= 0.00864 USER MOD Single : A 71 GLN : amide:sc= 0.778 K(o=0.78,f=-0.51) USER MOD Single : A 76 GLN : amide:sc= 0.112 X(o=0.11,f=-0.17) USER MOD Single : A 77 TYR OH : rot 30:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -72:sc= 0.727 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 30:sc= 0.0567 USER MOD Single : A 97 GLN : amide:sc= 0.899 K(o=0.9,f=0) USER MOD Single : A 103 SER OG : rot -25:sc= 0.81 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -84:sc= 0.775 USER MOD Single : A 126 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.16) USER MOD Single : A 128 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -11.652 9.080 6.997 1.00 0.00 N ATOM 187 CA SER A 9 -12.679 8.082 6.652 1.00 0.00 C ATOM 188 C SER A 9 -12.038 6.745 6.279 1.00 0.00 C ATOM 189 O SER A 9 -11.475 6.601 5.194 1.00 0.00 O ATOM 190 CB SER A 9 -13.571 8.588 5.518 1.00 0.00 C ATOM 191 OG SER A 9 -14.518 9.513 6.028 1.00 0.00 O ATOM 0 HA SER A 9 -13.303 7.925 7.532 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.962 9.063 4.749 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.085 7.751 5.046 1.00 0.00 H new ATOM 0 HG SER A 9 -15.086 9.836 5.298 1.00 0.00 H new ATOM 197 N VAL A 10 -12.100 5.767 7.186 1.00 0.00 N ATOM 198 CA VAL A 10 -11.534 4.409 7.009 1.00 0.00 C ATOM 199 C VAL A 10 -12.177 3.659 5.825 1.00 0.00 C ATOM 200 O VAL A 10 -13.373 3.802 5.561 1.00 0.00 O ATOM 201 CB VAL A 10 -11.640 3.602 8.322 1.00 0.00 C ATOM 202 CG1 VAL A 10 -11.091 2.175 8.201 1.00 0.00 C ATOM 203 CG2 VAL A 10 -10.838 4.282 9.444 1.00 0.00 C ATOM 0 H VAL A 10 -12.555 5.891 8.090 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.478 4.521 6.764 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.706 3.564 8.546 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.195 1.663 9.157 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.649 1.634 7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.038 2.213 7.923 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.926 3.698 10.360 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.789 4.346 9.154 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.229 5.285 9.615 1.00 0.00 H new ATOM 213 N LEU A 11 -11.377 2.843 5.123 1.00 0.00 N ATOM 214 CA LEU A 11 -11.749 2.098 3.907 1.00 0.00 C ATOM 215 C LEU A 11 -11.407 0.601 4.005 1.00 0.00 C ATOM 216 O LEU A 11 -12.213 -0.240 3.604 1.00 0.00 O ATOM 217 CB LEU A 11 -11.036 2.716 2.685 1.00 0.00 C ATOM 218 CG LEU A 11 -11.503 4.119 2.250 1.00 0.00 C ATOM 219 CD1 LEU A 11 -10.680 4.563 1.039 1.00 0.00 C ATOM 220 CD2 LEU A 11 -12.979 4.151 1.850 1.00 0.00 C ATOM 0 H LEU A 11 -10.409 2.676 5.398 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.830 2.176 3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.969 2.764 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.159 2.039 1.840 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.366 4.783 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.003 5.555 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.624 4.594 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.826 3.857 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.254 5.163 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.145 3.470 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.592 3.843 2.697 1.00 0.00 H new ATOM 232 N CYS A 12 -10.237 0.259 4.558 1.00 0.00 N ATOM 233 CA CYS A 12 -9.804 -1.117 4.819 1.00 0.00 C ATOM 234 C CYS A 12 -8.851 -1.157 6.016 1.00 0.00 C ATOM 235 O CYS A 12 -7.926 -0.350 6.099 1.00 0.00 O ATOM 236 CB CYS A 12 -9.100 -1.682 3.578 1.00 0.00 C ATOM 237 SG CYS A 12 -8.663 -3.429 3.826 1.00 0.00 S ATOM 0 H CYS A 12 -9.546 0.953 4.844 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.680 -1.724 5.047 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.751 -1.585 2.709 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.200 -1.103 3.369 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.071 -3.884 2.762 1.00 0.00 H new ATOM 243 N VAL A 13 -9.048 -2.121 6.913 1.00 0.00 N ATOM 244 CA VAL A 13 -8.136 -2.426 8.024 1.00 0.00 C ATOM 245 C VAL A 13 -7.798 -3.915 8.016 1.00 0.00 C ATOM 246 O VAL A 13 -8.700 -4.756 8.009 1.00 0.00 O ATOM 247 CB VAL A 13 -8.739 -1.983 9.372 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.909 -2.440 10.581 1.00 0.00 C ATOM 249 CG2 VAL A 13 -8.827 -0.455 9.439 1.00 0.00 C ATOM 0 H VAL A 13 -9.866 -2.730 6.891 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.211 -1.864 7.892 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.724 -2.448 9.421 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.385 -2.097 11.500 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.846 -3.528 10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.906 -2.019 10.514 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.255 -0.157 10.396 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.829 -0.028 9.339 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.460 -0.091 8.630 1.00 0.00 H new ATOM 259 N LYS A 14 -6.498 -4.236 8.043 1.00 0.00 N ATOM 260 CA LYS A 14 -5.971 -5.609 8.193 1.00 0.00 C ATOM 261 C LYS A 14 -4.957 -5.687 9.354 1.00 0.00 C ATOM 262 O LYS A 14 -4.051 -4.850 9.391 1.00 0.00 O ATOM 263 CB LYS A 14 -5.365 -6.132 6.873 1.00 0.00 C ATOM 264 CG LYS A 14 -6.347 -6.180 5.686 1.00 0.00 C ATOM 265 CD LYS A 14 -7.453 -7.230 5.857 1.00 0.00 C ATOM 266 CE LYS A 14 -8.421 -7.199 4.674 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.438 -8.270 4.801 1.00 0.00 N ATOM 0 H LYS A 14 -5.762 -3.535 7.960 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.809 -6.261 8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.520 -5.500 6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.972 -7.134 7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.804 -5.198 5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.792 -6.392 4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.009 -8.222 5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.997 -7.043 6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.913 -6.227 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.869 -7.324 3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.231 -8.074 4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.010 -9.186 4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.787 -8.303 5.780 1.00 0.00 H new ATOM 281 N PRO A 15 -5.058 -6.668 10.280 1.00 0.00 N ATOM 282 CA PRO A 15 -4.169 -6.764 11.450 1.00 0.00 C ATOM 283 C PRO A 15 -2.700 -7.074 11.135 1.00 0.00 C ATOM 284 O PRO A 15 -1.826 -6.775 11.947 1.00 0.00 O ATOM 285 CB PRO A 15 -4.727 -7.901 12.311 1.00 0.00 C ATOM 286 CG PRO A 15 -6.187 -8.001 11.896 1.00 0.00 C ATOM 287 CD PRO A 15 -6.147 -7.631 10.419 1.00 0.00 C ATOM 0 HA PRO A 15 -4.157 -5.788 11.936 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.196 -8.836 12.129 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.629 -7.681 13.374 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.583 -9.005 12.050 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.817 -7.318 12.467 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.972 -8.511 9.800 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.095 -7.199 10.098 1.00 0.00 H new ATOM 295 N ASP A 16 -2.435 -7.712 9.993 1.00 0.00 N ATOM 296 CA ASP A 16 -1.099 -8.173 9.599 1.00 0.00 C ATOM 297 C ASP A 16 -0.764 -7.816 8.142 1.00 0.00 C ATOM 298 O ASP A 16 -1.453 -8.228 7.204 1.00 0.00 O ATOM 299 CB ASP A 16 -0.991 -9.683 9.842 1.00 0.00 C ATOM 300 CG ASP A 16 0.447 -10.184 9.632 1.00 0.00 C ATOM 301 OD1 ASP A 16 1.342 -9.783 10.413 1.00 0.00 O ATOM 302 OD2 ASP A 16 0.679 -10.990 8.700 1.00 0.00 O ATOM 0 H ASP A 16 -3.155 -7.927 9.303 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.364 -7.655 10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.313 -9.914 10.857 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.664 -10.211 9.166 1.00 0.00 H new ATOM 307 N VAL A 17 0.315 -7.055 7.967 1.00 0.00 N ATOM 308 CA VAL A 17 0.920 -6.670 6.685 1.00 0.00 C ATOM 309 C VAL A 17 2.428 -6.454 6.878 1.00 0.00 C ATOM 310 O VAL A 17 2.871 -6.025 7.951 1.00 0.00 O ATOM 311 CB VAL A 17 0.206 -5.433 6.093 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.495 -4.124 6.840 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.545 -5.221 4.615 1.00 0.00 C ATOM 0 H VAL A 17 0.823 -6.666 8.761 1.00 0.00 H new ATOM 0 HA VAL A 17 0.792 -7.472 5.958 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.853 -5.665 6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.043 -3.306 6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.169 -4.217 7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.565 -3.919 6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.020 -4.341 4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.620 -5.076 4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.237 -6.096 4.042 1.00 0.00 H new ATOM 323 N SER A 18 3.220 -6.760 5.850 1.00 0.00 N ATOM 324 CA SER A 18 4.691 -6.780 5.925 1.00 0.00 C ATOM 325 C SER A 18 5.327 -5.904 4.847 1.00 0.00 C ATOM 326 O SER A 18 4.966 -6.028 3.678 1.00 0.00 O ATOM 327 CB SER A 18 5.203 -8.218 5.786 1.00 0.00 C ATOM 328 OG SER A 18 4.665 -9.050 6.802 1.00 0.00 O ATOM 0 H SER A 18 2.859 -7.005 4.928 1.00 0.00 H new ATOM 0 HA SER A 18 4.976 -6.377 6.897 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.931 -8.612 4.807 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.292 -8.227 5.842 1.00 0.00 H new ATOM 0 HG SER A 18 5.005 -9.963 6.691 1.00 0.00 H new ATOM 334 N VAL A 19 6.271 -5.040 5.233 1.00 0.00 N ATOM 335 CA VAL A 19 6.992 -4.100 4.353 1.00 0.00 C ATOM 336 C VAL A 19 8.336 -4.648 3.909 1.00 0.00 C ATOM 337 O VAL A 19 9.127 -5.138 4.717 1.00 0.00 O ATOM 338 CB VAL A 19 7.176 -2.714 5.003 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.095 -1.769 4.206 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.827 -2.005 5.125 1.00 0.00 C ATOM 0 H VAL A 19 6.570 -4.969 6.206 1.00 0.00 H new ATOM 0 HA VAL A 19 6.364 -3.979 3.470 1.00 0.00 H new ATOM 0 HB VAL A 19 7.633 -2.915 5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.175 -0.815 4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.085 -2.216 4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.676 -1.607 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.970 -1.027 5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.391 -1.879 4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.157 -2.602 5.743 1.00 0.00 H new ATOM 350 N TYR A 20 8.626 -4.449 2.627 1.00 0.00 N ATOM 351 CA TYR A 20 9.931 -4.673 2.025 1.00 0.00 C ATOM 352 C TYR A 20 10.324 -3.451 1.188 1.00 0.00 C ATOM 353 O TYR A 20 9.592 -3.032 0.288 1.00 0.00 O ATOM 354 CB TYR A 20 9.927 -5.948 1.164 1.00 0.00 C ATOM 355 CG TYR A 20 8.947 -7.030 1.581 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.661 -7.070 1.009 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.305 -7.964 2.566 1.00 0.00 C ATOM 358 CE1 TYR A 20 6.729 -8.039 1.427 1.00 0.00 C ATOM 359 CE2 TYR A 20 8.380 -8.933 2.991 1.00 0.00 C ATOM 360 CZ TYR A 20 7.089 -8.974 2.425 1.00 0.00 C ATOM 361 OH TYR A 20 6.206 -9.919 2.848 1.00 0.00 O ATOM 0 H TYR A 20 7.933 -4.116 1.957 1.00 0.00 H new ATOM 0 HA TYR A 20 10.667 -4.813 2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.710 -5.666 0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.931 -6.372 1.173 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.389 -6.355 0.247 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.294 -7.938 2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.743 -8.068 0.987 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.658 -9.647 3.752 1.00 0.00 H new ATOM 0 HH TYR A 20 6.627 -10.475 3.537 1.00 0.00 H new ATOM 371 N ARG A 21 11.501 -2.887 1.452 1.00 0.00 N ATOM 372 CA ARG A 21 12.149 -1.909 0.570 1.00 0.00 C ATOM 373 C ARG A 21 12.562 -2.596 -0.741 1.00 0.00 C ATOM 374 O ARG A 21 13.339 -3.553 -0.731 1.00 0.00 O ATOM 375 CB ARG A 21 13.328 -1.278 1.323 1.00 0.00 C ATOM 376 CG ARG A 21 13.845 -0.020 0.615 1.00 0.00 C ATOM 377 CD ARG A 21 14.916 0.674 1.462 1.00 0.00 C ATOM 378 NE ARG A 21 16.185 -0.083 1.496 1.00 0.00 N ATOM 379 CZ ARG A 21 17.227 0.161 2.272 1.00 0.00 C ATOM 380 NH1 ARG A 21 18.293 -0.582 2.197 1.00 0.00 N ATOM 381 NH2 ARG A 21 17.239 1.142 3.131 1.00 0.00 N ATOM 0 H ARG A 21 12.040 -3.096 2.292 1.00 0.00 H new ATOM 0 HA ARG A 21 11.467 -1.104 0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.018 -1.024 2.337 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.136 -2.005 1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.259 -0.288 -0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.018 0.666 0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 21 15.101 1.671 1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.545 0.802 2.479 1.00 0.00 H new ATOM 0 HE ARG A 21 16.265 -0.873 0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.328 -1.358 1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 21 19.093 -0.388 2.799 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.426 1.751 3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 21 18.061 1.300 3.713 1.00 0.00 H new ATOM 395 N ILE A 22 12.000 -2.140 -1.859 1.00 0.00 N ATOM 396 CA ILE A 22 12.054 -2.839 -3.156 1.00 0.00 C ATOM 397 C ILE A 22 13.332 -2.540 -3.972 1.00 0.00 C ATOM 398 O ILE A 22 13.896 -1.447 -3.847 1.00 0.00 O ATOM 399 CB ILE A 22 10.789 -2.549 -3.999 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.616 -1.041 -4.295 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.547 -3.154 -3.325 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.360 -0.726 -5.107 1.00 0.00 C ATOM 0 H ILE A 22 11.484 -1.261 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 22 12.088 -3.902 -2.916 1.00 0.00 H new ATOM 0 HB ILE A 22 10.914 -3.032 -4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.578 -0.495 -3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.491 -0.681 -4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.665 -2.942 -3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.672 -4.233 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.421 -2.717 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.298 0.348 -5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.406 -1.246 -6.064 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.479 -1.056 -4.557 1.00 0.00 H new ATOM 532 N TYR A 31 7.493 -5.199 -11.112 1.00 0.00 N ATOM 533 CA TYR A 31 7.692 -5.867 -9.836 1.00 0.00 C ATOM 534 C TYR A 31 7.124 -7.292 -9.887 1.00 0.00 C ATOM 535 O TYR A 31 6.131 -7.550 -10.561 1.00 0.00 O ATOM 536 CB TYR A 31 7.016 -5.043 -8.743 1.00 0.00 C ATOM 537 CG TYR A 31 7.401 -3.577 -8.689 1.00 0.00 C ATOM 538 CD1 TYR A 31 6.428 -2.637 -8.303 1.00 0.00 C ATOM 539 CD2 TYR A 31 8.713 -3.148 -8.987 1.00 0.00 C ATOM 540 CE1 TYR A 31 6.764 -1.278 -8.178 1.00 0.00 C ATOM 541 CE2 TYR A 31 9.073 -1.810 -8.754 1.00 0.00 C ATOM 542 CZ TYR A 31 8.098 -0.863 -8.370 1.00 0.00 C ATOM 543 OH TYR A 31 8.441 0.442 -8.194 1.00 0.00 O ATOM 0 HA TYR A 31 8.757 -5.946 -9.617 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.937 -5.111 -8.878 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.246 -5.495 -7.778 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.418 -2.961 -8.102 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.434 -3.843 -9.391 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.002 -0.553 -7.935 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.102 -1.504 -8.869 1.00 0.00 H new ATOM 0 HH TYR A 31 9.399 0.554 -8.366 1.00 0.00 H new ATOM 553 N ARG A 32 7.732 -8.233 -9.168 1.00 0.00 N ATOM 554 CA ARG A 32 7.406 -9.677 -9.256 1.00 0.00 C ATOM 555 C ARG A 32 7.312 -10.392 -7.914 1.00 0.00 C ATOM 556 O ARG A 32 7.317 -11.616 -7.888 1.00 0.00 O ATOM 557 CB ARG A 32 8.316 -10.414 -10.272 1.00 0.00 C ATOM 558 CG ARG A 32 9.835 -10.209 -10.118 1.00 0.00 C ATOM 559 CD ARG A 32 10.311 -8.942 -10.844 1.00 0.00 C ATOM 560 NE ARG A 32 11.761 -8.720 -10.716 1.00 0.00 N ATOM 561 CZ ARG A 32 12.432 -7.645 -11.086 1.00 0.00 C ATOM 562 NH1 ARG A 32 13.705 -7.583 -10.839 1.00 0.00 N ATOM 563 NH2 ARG A 32 11.875 -6.627 -11.678 1.00 0.00 N ATOM 0 H ARG A 32 8.473 -8.025 -8.499 1.00 0.00 H new ATOM 0 HA ARG A 32 6.389 -9.717 -9.645 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.108 -11.482 -10.202 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.030 -10.099 -11.275 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.088 -10.140 -9.060 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.362 -11.076 -10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.051 -9.015 -11.900 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.779 -8.079 -10.444 1.00 0.00 H new ATOM 0 HE ARG A 32 12.304 -9.476 -10.298 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.171 -8.357 -10.366 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.239 -6.760 -11.118 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.874 -6.637 -11.876 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.439 -5.820 -11.943 1.00 0.00 H new ATOM 577 N ALA A 33 7.192 -9.632 -6.825 1.00 0.00 N ATOM 578 CA ALA A 33 7.146 -10.068 -5.424 1.00 0.00 C ATOM 579 C ALA A 33 8.377 -10.865 -4.929 1.00 0.00 C ATOM 580 O ALA A 33 8.970 -10.513 -3.912 1.00 0.00 O ATOM 581 CB ALA A 33 5.814 -10.791 -5.217 1.00 0.00 C ATOM 0 H ALA A 33 7.119 -8.618 -6.903 1.00 0.00 H new ATOM 0 HA ALA A 33 7.202 -9.186 -4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.742 -11.132 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.992 -10.108 -5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.758 -11.649 -5.887 1.00 0.00 H new ATOM 587 N SER A 34 8.821 -11.887 -5.663 1.00 0.00 N ATOM 588 CA SER A 34 9.941 -12.776 -5.320 1.00 0.00 C ATOM 589 C SER A 34 11.316 -12.096 -5.353 1.00 0.00 C ATOM 590 O SER A 34 12.279 -12.626 -4.798 1.00 0.00 O ATOM 591 CB SER A 34 9.951 -13.989 -6.259 1.00 0.00 C ATOM 592 OG SER A 34 8.732 -14.710 -6.152 1.00 0.00 O ATOM 0 H SER A 34 8.392 -12.132 -6.555 1.00 0.00 H new ATOM 0 HA SER A 34 9.773 -13.082 -4.287 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.096 -13.659 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.789 -14.641 -6.012 1.00 0.00 H new ATOM 0 HG SER A 34 8.753 -15.480 -6.758 1.00 0.00 H new ATOM 598 N ASP A 35 11.420 -10.915 -5.974 1.00 0.00 N ATOM 599 CA ASP A 35 12.625 -10.073 -5.934 1.00 0.00 C ATOM 600 C ASP A 35 12.738 -9.242 -4.636 1.00 0.00 C ATOM 601 O ASP A 35 13.785 -8.653 -4.361 1.00 0.00 O ATOM 602 CB ASP A 35 12.664 -9.172 -7.183 1.00 0.00 C ATOM 603 CG ASP A 35 13.980 -9.322 -7.959 1.00 0.00 C ATOM 604 OD1 ASP A 35 15.061 -8.981 -7.428 1.00 0.00 O ATOM 605 OD2 ASP A 35 13.925 -9.753 -9.136 1.00 0.00 O ATOM 0 H ASP A 35 10.662 -10.511 -6.525 1.00 0.00 H new ATOM 0 HA ASP A 35 13.492 -10.734 -5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.828 -9.421 -7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.536 -8.132 -6.884 1.00 0.00 H new ATOM 610 N TRP A 36 11.670 -9.177 -3.830 1.00 0.00 N ATOM 611 CA TRP A 36 11.621 -8.467 -2.558 1.00 0.00 C ATOM 612 C TRP A 36 12.077 -9.379 -1.403 1.00 0.00 C ATOM 613 O TRP A 36 12.255 -10.591 -1.555 1.00 0.00 O ATOM 614 CB TRP A 36 10.199 -7.929 -2.325 1.00 0.00 C ATOM 615 CG TRP A 36 9.498 -7.165 -3.422 1.00 0.00 C ATOM 616 CD1 TRP A 36 10.022 -6.692 -4.583 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.097 -6.750 -3.436 1.00 0.00 C ATOM 618 NE1 TRP A 36 9.050 -6.012 -5.302 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.860 -5.984 -4.616 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.004 -6.935 -2.561 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.625 -5.390 -4.889 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.754 -6.341 -2.826 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.568 -5.570 -3.983 1.00 0.00 C ATOM 0 H TRP A 36 10.788 -9.636 -4.060 1.00 0.00 H new ATOM 0 HA TRP A 36 12.310 -7.623 -2.591 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.568 -8.779 -2.066 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.236 -7.281 -1.449 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.046 -6.826 -4.900 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.199 -5.589 -6.218 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.128 -7.541 -1.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.486 -4.801 -5.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.936 -6.480 -2.135 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.609 -5.114 -4.177 1.00 0.00 H new ATOM 634 N LYS A 37 12.251 -8.795 -0.215 1.00 0.00 N ATOM 635 CA LYS A 37 12.783 -9.461 0.992 1.00 0.00 C ATOM 636 C LYS A 37 11.743 -10.284 1.763 1.00 0.00 C ATOM 637 O LYS A 37 11.555 -10.101 2.965 1.00 0.00 O ATOM 638 CB LYS A 37 13.490 -8.432 1.883 1.00 0.00 C ATOM 639 CG LYS A 37 14.770 -7.888 1.240 1.00 0.00 C ATOM 640 CD LYS A 37 15.663 -7.149 2.240 1.00 0.00 C ATOM 641 CE LYS A 37 14.889 -6.115 3.064 1.00 0.00 C ATOM 642 NZ LYS A 37 15.793 -5.338 3.947 1.00 0.00 N ATOM 0 H LYS A 37 12.020 -7.815 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 37 13.511 -10.199 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.810 -7.605 2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.734 -8.891 2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.330 -8.713 0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.505 -7.212 0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.126 -7.872 2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.470 -6.651 1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.360 -5.436 2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.134 -6.620 3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.348 -4.429 4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.973 -5.875 4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.693 -5.164 3.456 1.00 0.00 H new ATOM 656 N LEU A 38 11.090 -11.225 1.087 1.00 0.00 N ATOM 657 CA LEU A 38 9.945 -11.991 1.612 1.00 0.00 C ATOM 658 C LEU A 38 10.236 -12.843 2.865 1.00 0.00 C ATOM 659 O LEU A 38 9.298 -13.276 3.536 1.00 0.00 O ATOM 660 CB LEU A 38 9.375 -12.877 0.492 1.00 0.00 C ATOM 661 CG LEU A 38 8.945 -12.126 -0.780 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.283 -13.120 -1.737 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.963 -10.992 -0.491 1.00 0.00 C ATOM 0 H LEU A 38 11.342 -11.489 0.135 1.00 0.00 H new ATOM 0 HA LEU A 38 9.220 -11.248 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.125 -13.620 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.515 -13.421 0.882 1.00 0.00 H new ATOM 0 HG LEU A 38 9.839 -11.682 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.973 -12.601 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.993 -13.906 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.411 -13.562 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.694 -10.497 -1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.066 -11.398 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.428 -10.271 0.181 1.00 0.00 H new ATOM 675 N ASP A 39 11.511 -13.070 3.203 1.00 0.00 N ATOM 676 CA ASP A 39 11.940 -13.799 4.410 1.00 0.00 C ATOM 677 C ASP A 39 12.579 -12.879 5.478 1.00 0.00 C ATOM 678 O ASP A 39 12.902 -13.329 6.579 1.00 0.00 O ATOM 679 CB ASP A 39 12.853 -14.960 3.982 1.00 0.00 C ATOM 680 CG ASP A 39 13.099 -15.983 5.109 1.00 0.00 C ATOM 681 OD1 ASP A 39 14.276 -16.306 5.398 1.00 0.00 O ATOM 682 OD2 ASP A 39 12.112 -16.523 5.666 1.00 0.00 O ATOM 0 H ASP A 39 12.293 -12.746 2.634 1.00 0.00 H new ATOM 0 HA ASP A 39 11.062 -14.209 4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.407 -15.470 3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.810 -14.558 3.649 1.00 0.00 H new ATOM 687 N GLN A 40 12.735 -11.582 5.174 1.00 0.00 N ATOM 688 CA GLN A 40 13.264 -10.557 6.085 1.00 0.00 C ATOM 689 C GLN A 40 12.646 -9.160 5.814 1.00 0.00 C ATOM 690 O GLN A 40 13.336 -8.272 5.301 1.00 0.00 O ATOM 691 CB GLN A 40 14.815 -10.559 6.108 1.00 0.00 C ATOM 692 CG GLN A 40 15.583 -10.553 4.773 1.00 0.00 C ATOM 693 CD GLN A 40 15.570 -11.888 4.027 1.00 0.00 C ATOM 694 OE1 GLN A 40 15.820 -12.950 4.578 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.310 -11.891 2.735 1.00 0.00 N ATOM 0 H GLN A 40 12.489 -11.206 4.258 1.00 0.00 H new ATOM 0 HA GLN A 40 12.951 -10.819 7.096 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.136 -9.686 6.676 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.134 -11.439 6.667 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.156 -9.786 4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.618 -10.269 4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.099 -11.016 2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.320 -12.768 2.215 1.00 0.00 H new ATOM 704 N PRO A 41 11.353 -8.937 6.147 1.00 0.00 N ATOM 705 CA PRO A 41 10.717 -7.619 6.053 1.00 0.00 C ATOM 706 C PRO A 41 11.464 -6.553 6.864 1.00 0.00 C ATOM 707 O PRO A 41 11.979 -6.810 7.954 1.00 0.00 O ATOM 708 CB PRO A 41 9.268 -7.790 6.541 1.00 0.00 C ATOM 709 CG PRO A 41 9.332 -9.052 7.400 1.00 0.00 C ATOM 710 CD PRO A 41 10.413 -9.892 6.721 1.00 0.00 C ATOM 0 HA PRO A 41 10.741 -7.263 5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.934 -6.928 7.118 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.574 -7.905 5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.593 -8.821 8.433 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.374 -9.572 7.421 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.909 -10.546 7.438 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.985 -10.532 5.949 1.00 0.00 H new ATOM 718 N ASP A 42 11.487 -5.332 6.334 1.00 0.00 N ATOM 719 CA ASP A 42 12.058 -4.152 6.995 1.00 0.00 C ATOM 720 C ASP A 42 11.204 -3.702 8.191 1.00 0.00 C ATOM 721 O ASP A 42 11.728 -3.167 9.171 1.00 0.00 O ATOM 722 CB ASP A 42 12.180 -3.019 5.968 1.00 0.00 C ATOM 723 CG ASP A 42 13.223 -3.357 4.902 1.00 0.00 C ATOM 724 OD1 ASP A 42 12.836 -3.761 3.783 1.00 0.00 O ATOM 725 OD2 ASP A 42 14.438 -3.260 5.193 1.00 0.00 O ATOM 0 H ASP A 42 11.101 -5.127 5.412 1.00 0.00 H new ATOM 0 HA ASP A 42 13.043 -4.411 7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.213 -2.847 5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.457 -2.094 6.473 1.00 0.00 H new ATOM 730 N TRP A 43 9.892 -3.949 8.116 1.00 0.00 N ATOM 731 CA TRP A 43 8.913 -3.692 9.179 1.00 0.00 C ATOM 732 C TRP A 43 7.674 -4.584 8.999 1.00 0.00 C ATOM 733 O TRP A 43 7.327 -4.944 7.873 1.00 0.00 O ATOM 734 CB TRP A 43 8.537 -2.202 9.143 1.00 0.00 C ATOM 735 CG TRP A 43 7.384 -1.770 9.996 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.459 -1.230 11.234 1.00 0.00 C ATOM 737 CD2 TRP A 43 5.966 -1.784 9.653 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.191 -0.885 11.666 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.237 -1.163 10.708 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.230 -2.254 8.546 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.852 -0.953 10.635 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.841 -2.037 8.461 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.152 -1.386 9.498 1.00 0.00 C ATOM 0 H TRP A 43 9.466 -4.349 7.280 1.00 0.00 H new ATOM 0 HA TRP A 43 9.344 -3.932 10.151 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.413 -1.625 9.440 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.313 -1.934 8.110 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.369 -1.090 11.798 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.987 -0.476 12.578 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.737 -2.786 7.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.330 -0.464 11.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.300 -2.375 7.589 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.088 -1.219 9.421 1.00 0.00 H new ATOM 754 N THR A 44 6.972 -4.910 10.088 1.00 0.00 N ATOM 755 CA THR A 44 5.639 -5.535 10.044 1.00 0.00 C ATOM 756 C THR A 44 4.664 -4.864 11.009 1.00 0.00 C ATOM 757 O THR A 44 5.056 -4.347 12.059 1.00 0.00 O ATOM 758 CB THR A 44 5.670 -7.045 10.314 1.00 0.00 C ATOM 759 OG1 THR A 44 6.086 -7.350 11.631 1.00 0.00 O ATOM 760 CG2 THR A 44 6.569 -7.805 9.352 1.00 0.00 C ATOM 0 H THR A 44 7.313 -4.748 11.036 1.00 0.00 H new ATOM 0 HA THR A 44 5.289 -5.388 9.022 1.00 0.00 H new ATOM 0 HB THR A 44 4.638 -7.365 10.168 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.394 -8.279 11.670 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.547 -8.867 9.596 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.215 -7.660 8.331 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.590 -7.434 9.438 1.00 0.00 H new ATOM 768 N GLY A 45 3.378 -4.893 10.665 1.00 0.00 N ATOM 769 CA GLY A 45 2.327 -4.230 11.440 1.00 0.00 C ATOM 770 C GLY A 45 0.941 -4.348 10.813 1.00 0.00 C ATOM 771 O GLY A 45 0.602 -5.385 10.245 1.00 0.00 O ATOM 0 H GLY A 45 3.032 -5.379 9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.301 -4.658 12.442 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.579 -3.175 11.550 1.00 0.00 H new ATOM 775 N ARG A 46 0.140 -3.287 10.935 1.00 0.00 N ATOM 776 CA ARG A 46 -1.253 -3.184 10.479 1.00 0.00 C ATOM 777 C ARG A 46 -1.386 -2.321 9.226 1.00 0.00 C ATOM 778 O ARG A 46 -0.674 -1.328 9.059 1.00 0.00 O ATOM 779 CB ARG A 46 -2.137 -2.578 11.583 1.00 0.00 C ATOM 780 CG ARG A 46 -2.064 -3.301 12.935 1.00 0.00 C ATOM 781 CD ARG A 46 -3.103 -2.756 13.927 1.00 0.00 C ATOM 782 NE ARG A 46 -2.795 -1.381 14.371 1.00 0.00 N ATOM 783 CZ ARG A 46 -3.295 -0.244 13.919 1.00 0.00 C ATOM 784 NH1 ARG A 46 -2.970 0.882 14.467 1.00 0.00 N ATOM 785 NH2 ARG A 46 -4.104 -0.143 12.906 1.00 0.00 N ATOM 0 H ARG A 46 0.462 -2.427 11.379 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.579 -4.197 10.243 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.850 -1.536 11.728 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.172 -2.579 11.242 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.228 -4.368 12.786 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.065 -3.187 13.355 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.088 -2.772 13.461 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.151 -3.413 14.796 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.109 -1.299 15.122 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.323 0.898 15.255 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.361 1.754 14.111 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.395 -0.980 12.400 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.448 0.773 12.617 1.00 0.00 H new ATOM 799 N LEU A 47 -2.378 -2.651 8.404 1.00 0.00 N ATOM 800 CA LEU A 47 -2.918 -1.781 7.358 1.00 0.00 C ATOM 801 C LEU A 47 -4.073 -0.943 7.925 1.00 0.00 C ATOM 802 O LEU A 47 -4.945 -1.492 8.604 1.00 0.00 O ATOM 803 CB LEU A 47 -3.419 -2.668 6.205 1.00 0.00 C ATOM 804 CG LEU A 47 -4.053 -1.904 5.027 1.00 0.00 C ATOM 805 CD1 LEU A 47 -3.002 -1.152 4.212 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.778 -2.893 4.123 1.00 0.00 C ATOM 0 H LEU A 47 -2.844 -3.558 8.447 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.147 -1.101 6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.582 -3.257 5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.152 -3.372 6.599 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.752 -1.172 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.487 -0.625 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.491 -0.433 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.277 -1.860 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.229 -2.359 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.068 -3.627 3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.557 -3.402 4.691 1.00 0.00 H new ATOM 818 N ARG A 48 -4.138 0.341 7.563 1.00 0.00 N ATOM 819 CA ARG A 48 -5.341 1.179 7.700 1.00 0.00 C ATOM 820 C ARG A 48 -5.456 2.157 6.529 1.00 0.00 C ATOM 821 O ARG A 48 -4.942 3.275 6.564 1.00 0.00 O ATOM 822 CB ARG A 48 -5.361 1.863 9.082 1.00 0.00 C ATOM 823 CG ARG A 48 -6.672 2.639 9.316 1.00 0.00 C ATOM 824 CD ARG A 48 -6.944 2.896 10.807 1.00 0.00 C ATOM 825 NE ARG A 48 -6.078 3.962 11.337 1.00 0.00 N ATOM 826 CZ ARG A 48 -6.299 5.261 11.253 1.00 0.00 C ATOM 827 NH1 ARG A 48 -5.385 6.123 11.556 1.00 0.00 N ATOM 828 NH2 ARG A 48 -7.426 5.769 10.853 1.00 0.00 N ATOM 0 H ARG A 48 -3.345 0.839 7.159 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.231 0.552 7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.239 1.111 9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.515 2.546 9.162 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.626 3.592 8.789 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.504 2.078 8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.989 3.173 10.945 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.780 1.978 11.371 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.226 3.669 11.815 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.468 5.805 11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.581 7.121 11.483 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.195 5.155 10.584 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.541 6.781 10.808 1.00 0.00 H new ATOM 842 N ILE A 49 -6.158 1.732 5.482 1.00 0.00 N ATOM 843 CA ILE A 49 -6.530 2.614 4.370 1.00 0.00 C ATOM 844 C ILE A 49 -7.616 3.572 4.860 1.00 0.00 C ATOM 845 O ILE A 49 -8.598 3.158 5.480 1.00 0.00 O ATOM 846 CB ILE A 49 -6.979 1.857 3.103 1.00 0.00 C ATOM 847 CG1 ILE A 49 -6.009 0.710 2.759 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.087 2.839 1.918 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.392 -0.035 1.480 1.00 0.00 C ATOM 0 H ILE A 49 -6.486 0.772 5.377 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.642 3.167 4.065 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.957 1.417 3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.002 1.114 2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.981 0.004 3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.404 2.299 1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.817 3.613 2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.116 3.299 1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.671 -0.830 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.386 -0.467 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.392 0.660 0.640 1.00 0.00 H new ATOM 861 N THR A 50 -7.424 4.850 4.573 1.00 0.00 N ATOM 862 CA THR A 50 -8.269 5.984 4.956 1.00 0.00 C ATOM 863 C THR A 50 -8.496 6.915 3.759 1.00 0.00 C ATOM 864 O THR A 50 -7.949 6.693 2.678 1.00 0.00 O ATOM 865 CB THR A 50 -7.649 6.739 6.149 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.242 6.700 6.184 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.135 6.172 7.478 1.00 0.00 C ATOM 0 H THR A 50 -6.616 5.150 4.027 1.00 0.00 H new ATOM 0 HA THR A 50 -9.242 5.606 5.270 1.00 0.00 H new ATOM 0 HB THR A 50 -7.972 7.770 6.006 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.920 7.199 6.964 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.679 6.726 8.298 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.220 6.262 7.537 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.854 5.121 7.550 1.00 0.00 H new ATOM 875 N SER A 51 -9.329 7.947 3.902 1.00 0.00 N ATOM 876 CA SER A 51 -9.640 8.910 2.846 1.00 0.00 C ATOM 877 C SER A 51 -10.163 10.216 3.418 1.00 0.00 C ATOM 878 O SER A 51 -10.746 10.240 4.506 1.00 0.00 O ATOM 879 CB SER A 51 -10.670 8.325 1.876 1.00 0.00 C ATOM 880 OG SER A 51 -11.868 7.960 2.543 1.00 0.00 O ATOM 0 H SER A 51 -9.817 8.140 4.776 1.00 0.00 H new ATOM 0 HA SER A 51 -8.714 9.118 2.310 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.894 9.055 1.098 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.248 7.451 1.380 1.00 0.00 H new ATOM 0 HG SER A 51 -11.653 7.400 3.318 1.00 0.00 H new ATOM 886 N LYS A 52 -9.959 11.303 2.670 1.00 0.00 N ATOM 887 CA LYS A 52 -10.720 12.542 2.797 1.00 0.00 C ATOM 888 C LYS A 52 -10.646 13.397 1.526 1.00 0.00 C ATOM 889 O LYS A 52 -9.563 13.692 1.026 1.00 0.00 O ATOM 890 CB LYS A 52 -10.221 13.314 4.023 1.00 0.00 C ATOM 891 CG LYS A 52 -11.224 14.329 4.578 1.00 0.00 C ATOM 892 CD LYS A 52 -12.648 13.825 4.870 1.00 0.00 C ATOM 893 CE LYS A 52 -12.696 12.602 5.792 1.00 0.00 C ATOM 894 NZ LYS A 52 -14.091 12.299 6.199 1.00 0.00 N ATOM 0 H LYS A 52 -9.244 11.344 1.944 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.772 12.292 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.970 12.602 4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.301 13.836 3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.815 14.738 5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.297 15.154 3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.223 14.632 5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.136 13.577 3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.267 11.740 5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.086 12.785 6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.223 11.268 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.278 12.716 7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.751 12.700 5.502 1.00 0.00 H new ATOM 908 N GLY A 53 -11.806 13.812 1.019 1.00 0.00 N ATOM 909 CA GLY A 53 -11.944 14.900 0.033 1.00 0.00 C ATOM 910 C GLY A 53 -11.281 14.630 -1.324 1.00 0.00 C ATOM 911 O GLY A 53 -10.456 15.424 -1.780 1.00 0.00 O ATOM 0 H GLY A 53 -12.699 13.397 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.005 15.091 -0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.517 15.810 0.455 1.00 0.00 H new ATOM 915 N LYS A 54 -11.621 13.494 -1.951 1.00 0.00 N ATOM 916 CA LYS A 54 -11.042 12.983 -3.218 1.00 0.00 C ATOM 917 C LYS A 54 -9.537 12.681 -3.138 1.00 0.00 C ATOM 918 O LYS A 54 -8.846 12.624 -4.153 1.00 0.00 O ATOM 919 CB LYS A 54 -11.440 13.859 -4.428 1.00 0.00 C ATOM 920 CG LYS A 54 -12.963 13.956 -4.617 1.00 0.00 C ATOM 921 CD LYS A 54 -13.364 14.746 -5.871 1.00 0.00 C ATOM 922 CE LYS A 54 -12.964 16.225 -5.779 1.00 0.00 C ATOM 923 NZ LYS A 54 -13.415 16.991 -6.970 1.00 0.00 N ATOM 0 H LYS A 54 -12.339 12.873 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.495 12.006 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.030 14.860 -4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.992 13.447 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.380 12.951 -4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.403 14.430 -3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.893 14.298 -6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.442 14.671 -6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.396 16.664 -4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.881 16.304 -5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.127 17.986 -6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.983 16.588 -7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.451 16.936 -7.046 1.00 0.00 H new ATOM 937 N THR A 55 -9.052 12.421 -1.924 1.00 0.00 N ATOM 938 CA THR A 55 -7.743 11.831 -1.636 1.00 0.00 C ATOM 939 C THR A 55 -7.947 10.571 -0.793 1.00 0.00 C ATOM 940 O THR A 55 -8.691 10.600 0.189 1.00 0.00 O ATOM 941 CB THR A 55 -6.837 12.841 -0.912 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.679 14.013 -1.690 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.439 12.287 -0.671 1.00 0.00 C ATOM 0 H THR A 55 -9.583 12.624 -1.077 1.00 0.00 H new ATOM 0 HA THR A 55 -7.247 11.564 -2.569 1.00 0.00 H new ATOM 0 HB THR A 55 -7.323 13.054 0.040 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.101 14.646 -1.214 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.835 13.035 -0.157 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.504 11.389 -0.057 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.976 12.040 -1.626 1.00 0.00 H new ATOM 951 N ALA A 56 -7.300 9.469 -1.165 1.00 0.00 N ATOM 952 CA ALA A 56 -7.155 8.278 -0.328 1.00 0.00 C ATOM 953 C ALA A 56 -5.767 8.258 0.328 1.00 0.00 C ATOM 954 O ALA A 56 -4.829 8.880 -0.167 1.00 0.00 O ATOM 955 CB ALA A 56 -7.437 7.014 -1.149 1.00 0.00 C ATOM 0 H ALA A 56 -6.852 9.376 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.890 8.305 0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.326 6.135 -0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.454 7.053 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.732 6.954 -1.978 1.00 0.00 H new ATOM 961 N TYR A 57 -5.629 7.537 1.434 1.00 0.00 N ATOM 962 CA TYR A 57 -4.425 7.464 2.252 1.00 0.00 C ATOM 963 C TYR A 57 -4.171 6.003 2.648 1.00 0.00 C ATOM 964 O TYR A 57 -4.880 5.458 3.493 1.00 0.00 O ATOM 965 CB TYR A 57 -4.612 8.342 3.506 1.00 0.00 C ATOM 966 CG TYR A 57 -4.952 9.809 3.285 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.950 10.701 2.856 1.00 0.00 C ATOM 968 CD2 TYR A 57 -6.245 10.300 3.574 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.238 12.073 2.704 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.539 11.666 3.413 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.536 12.558 2.982 1.00 0.00 C ATOM 972 OH TYR A 57 -5.820 13.884 2.862 1.00 0.00 O ATOM 0 H TYR A 57 -6.387 6.962 1.801 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.565 7.830 1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.402 7.900 4.113 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.695 8.293 4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.957 10.333 2.643 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.012 9.623 3.920 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.466 12.753 2.375 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.534 12.032 3.620 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.760 14.039 3.091 1.00 0.00 H new ATOM 982 N ILE A 58 -3.161 5.343 2.077 1.00 0.00 N ATOM 983 CA ILE A 58 -2.713 4.034 2.575 1.00 0.00 C ATOM 984 C ILE A 58 -1.804 4.307 3.773 1.00 0.00 C ATOM 985 O ILE A 58 -0.624 4.618 3.594 1.00 0.00 O ATOM 986 CB ILE A 58 -2.031 3.170 1.482 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.977 2.739 0.338 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.455 1.881 2.103 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.294 3.841 -0.674 1.00 0.00 C ATOM 0 H ILE A 58 -2.638 5.689 1.273 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.570 3.433 2.880 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.254 3.809 1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.528 1.897 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.911 2.382 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.979 1.284 1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.718 2.141 2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.260 1.306 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.963 3.450 -1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.775 4.676 -0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.370 4.184 -1.140 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.355 4.241 4.991 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.572 4.366 6.230 1.00 0.00 C ATOM 1003 C LYS A 59 -1.196 2.997 6.796 1.00 0.00 C ATOM 1004 O LYS A 59 -2.011 2.073 6.830 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.278 5.280 7.251 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.688 6.609 6.596 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.917 7.743 7.601 1.00 0.00 C ATOM 1008 CE LYS A 59 -3.309 9.012 6.834 1.00 0.00 C ATOM 1009 NZ LYS A 59 -3.386 10.193 7.728 1.00 0.00 N ATOM 0 H LYS A 59 -3.353 4.100 5.147 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.629 4.857 5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.160 4.777 7.648 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.614 5.473 8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.914 6.911 5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.601 6.455 6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.703 7.470 8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.013 7.919 8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.581 9.200 6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.273 8.860 6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.653 11.031 7.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.099 10.024 8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.459 10.353 8.172 1.00 0.00 H new ATOM 1023 N LEU A 60 0.052 2.875 7.235 1.00 0.00 N ATOM 1024 CA LEU A 60 0.618 1.713 7.920 1.00 0.00 C ATOM 1025 C LEU A 60 0.889 2.068 9.384 1.00 0.00 C ATOM 1026 O LEU A 60 1.457 3.119 9.677 1.00 0.00 O ATOM 1027 CB LEU A 60 1.902 1.270 7.199 1.00 0.00 C ATOM 1028 CG LEU A 60 1.702 0.107 6.217 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.671 0.374 5.119 1.00 0.00 C ATOM 1030 CD2 LEU A 60 3.035 -0.186 5.536 1.00 0.00 C ATOM 0 H LEU A 60 0.735 3.623 7.117 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.086 0.881 7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.314 2.122 6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.642 0.978 7.944 1.00 0.00 H new ATOM 0 HG LEU A 60 1.329 -0.729 6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.594 -0.500 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.299 0.576 5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.982 1.236 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.911 -1.011 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.372 0.701 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.776 -0.458 6.288 1.00 0.00 H new ATOM 1042 N GLU A 61 0.488 1.194 10.303 1.00 0.00 N ATOM 1043 CA GLU A 61 0.473 1.472 11.745 1.00 0.00 C ATOM 1044 C GLU A 61 0.942 0.267 12.565 1.00 0.00 C ATOM 1045 O GLU A 61 0.826 -0.878 12.136 1.00 0.00 O ATOM 1046 CB GLU A 61 -0.937 1.871 12.192 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.515 3.103 11.484 1.00 0.00 C ATOM 1048 CD GLU A 61 -2.867 3.519 12.088 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.115 4.737 12.226 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.715 2.644 12.396 1.00 0.00 O ATOM 0 H GLU A 61 0.159 0.258 10.068 1.00 0.00 H new ATOM 0 HA GLU A 61 1.166 2.294 11.922 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.607 1.027 12.027 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.922 2.061 13.265 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.811 3.932 11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.640 2.888 10.423 1.00 0.00 H new ATOM 1057 N ASP A 62 1.475 0.499 13.761 1.00 0.00 N ATOM 1058 CA ASP A 62 2.021 -0.556 14.603 1.00 0.00 C ATOM 1059 C ASP A 62 0.920 -1.404 15.265 1.00 0.00 C ATOM 1060 O ASP A 62 -0.173 -0.928 15.589 1.00 0.00 O ATOM 1061 CB ASP A 62 2.944 0.095 15.626 1.00 0.00 C ATOM 1062 CG ASP A 62 3.824 -0.932 16.339 1.00 0.00 C ATOM 1063 OD1 ASP A 62 4.930 -1.242 15.840 1.00 0.00 O ATOM 1064 OD2 ASP A 62 3.361 -1.470 17.366 1.00 0.00 O ATOM 0 H ASP A 62 1.540 1.430 14.174 1.00 0.00 H new ATOM 0 HA ASP A 62 2.587 -1.258 13.992 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.576 0.830 15.128 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.347 0.634 16.362 1.00 0.00 H new ATOM 1069 N LYS A 63 1.234 -2.680 15.484 1.00 0.00 N ATOM 1070 CA LYS A 63 0.347 -3.699 16.067 1.00 0.00 C ATOM 1071 C LYS A 63 0.396 -3.802 17.595 1.00 0.00 C ATOM 1072 O LYS A 63 -0.351 -4.592 18.174 1.00 0.00 O ATOM 1073 CB LYS A 63 0.587 -5.052 15.360 1.00 0.00 C ATOM 1074 CG LYS A 63 2.080 -5.423 15.270 1.00 0.00 C ATOM 1075 CD LYS A 63 2.297 -6.805 14.647 1.00 0.00 C ATOM 1076 CE LYS A 63 3.747 -6.923 14.156 1.00 0.00 C ATOM 1077 NZ LYS A 63 3.993 -8.199 13.436 1.00 0.00 N ATOM 0 H LYS A 63 2.154 -3.054 15.251 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.677 -3.375 15.881 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.054 -5.837 15.897 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.166 -5.011 14.355 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.604 -4.673 14.677 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.518 -5.404 16.268 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.086 -7.583 15.380 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.607 -6.954 13.816 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.975 -6.086 13.496 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.424 -6.852 15.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.745 -8.061 12.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.285 -8.930 14.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.121 -8.501 12.957 1.00 0.00 H new ATOM 1091 N VAL A 64 1.237 -3.000 18.249 1.00 0.00 N ATOM 1092 CA VAL A 64 1.438 -2.991 19.705 1.00 0.00 C ATOM 1093 C VAL A 64 1.291 -1.584 20.295 1.00 0.00 C ATOM 1094 O VAL A 64 0.632 -1.440 21.328 1.00 0.00 O ATOM 1095 CB VAL A 64 2.805 -3.622 20.047 1.00 0.00 C ATOM 1096 CG1 VAL A 64 3.153 -3.531 21.540 1.00 0.00 C ATOM 1097 CG2 VAL A 64 2.848 -5.108 19.663 1.00 0.00 C ATOM 0 H VAL A 64 1.818 -2.314 17.767 1.00 0.00 H new ATOM 0 HA VAL A 64 0.656 -3.594 20.166 1.00 0.00 H new ATOM 0 HB VAL A 64 3.530 -3.047 19.471 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.125 -3.992 21.716 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.188 -2.484 21.842 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.394 -4.052 22.123 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.824 -5.521 19.917 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.073 -5.647 20.207 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.678 -5.212 18.591 1.00 0.00 H new ATOM 1107 N SER A 65 1.826 -0.538 19.650 1.00 0.00 N ATOM 1108 CA SER A 65 1.650 0.858 20.099 1.00 0.00 C ATOM 1109 C SER A 65 0.509 1.584 19.384 1.00 0.00 C ATOM 1110 O SER A 65 -0.075 2.518 19.939 1.00 0.00 O ATOM 1111 CB SER A 65 2.940 1.662 19.909 1.00 0.00 C ATOM 1112 OG SER A 65 3.357 1.597 18.564 1.00 0.00 O ATOM 0 H SER A 65 2.391 -0.631 18.806 1.00 0.00 H new ATOM 0 HA SER A 65 1.395 0.794 21.157 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.776 2.700 20.197 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.722 1.270 20.560 1.00 0.00 H new ATOM 0 HG SER A 65 4.243 1.181 18.516 1.00 0.00 H new ATOM 1118 N GLY A 66 0.195 1.177 18.149 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.731 1.894 17.272 1.00 0.00 C ATOM 1120 C GLY A 66 -0.120 3.136 16.609 1.00 0.00 C ATOM 1121 O GLY A 66 -0.849 3.907 15.985 1.00 0.00 O ATOM 0 H GLY A 66 0.582 0.332 17.728 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.081 1.214 16.495 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.605 2.195 17.850 1.00 0.00 H new ATOM 1125 N GLU A 67 1.195 3.349 16.736 1.00 0.00 N ATOM 1126 CA GLU A 67 1.893 4.493 16.147 1.00 0.00 C ATOM 1127 C GLU A 67 1.941 4.407 14.610 1.00 0.00 C ATOM 1128 O GLU A 67 1.955 3.315 14.038 1.00 0.00 O ATOM 1129 CB GLU A 67 3.289 4.654 16.773 1.00 0.00 C ATOM 1130 CG GLU A 67 4.339 3.657 16.263 1.00 0.00 C ATOM 1131 CD GLU A 67 5.617 3.725 17.119 1.00 0.00 C ATOM 1132 OE1 GLU A 67 6.559 4.475 16.760 1.00 0.00 O ATOM 1133 OE2 GLU A 67 5.683 3.030 18.163 1.00 0.00 O ATOM 0 H GLU A 67 1.810 2.723 17.257 1.00 0.00 H new ATOM 0 HA GLU A 67 1.325 5.394 16.379 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.645 5.666 16.580 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.202 4.548 17.854 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.931 2.647 16.290 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.580 3.876 15.223 1.00 0.00 H new ATOM 1140 N LEU A 68 1.990 5.554 13.930 1.00 0.00 N ATOM 1141 CA LEU A 68 2.110 5.619 12.468 1.00 0.00 C ATOM 1142 C LEU A 68 3.531 5.222 12.020 1.00 0.00 C ATOM 1143 O LEU A 68 4.514 5.825 12.458 1.00 0.00 O ATOM 1144 CB LEU A 68 1.728 7.037 11.992 1.00 0.00 C ATOM 1145 CG LEU A 68 1.686 7.204 10.458 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.481 6.499 9.836 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.587 8.686 10.091 1.00 0.00 C ATOM 0 H LEU A 68 1.948 6.469 14.378 1.00 0.00 H new ATOM 0 HA LEU A 68 1.425 4.906 12.009 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.750 7.293 12.400 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.442 7.750 12.404 1.00 0.00 H new ATOM 0 HG LEU A 68 2.604 6.760 10.072 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.493 6.643 8.756 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.527 5.433 10.060 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.438 6.917 10.248 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.558 8.791 9.006 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.678 9.107 10.521 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.454 9.217 10.484 1.00 0.00 H new ATOM 1159 N PHE A 69 3.637 4.248 11.114 1.00 0.00 N ATOM 1160 CA PHE A 69 4.889 3.879 10.445 1.00 0.00 C ATOM 1161 C PHE A 69 5.124 4.744 9.197 1.00 0.00 C ATOM 1162 O PHE A 69 6.163 5.397 9.081 1.00 0.00 O ATOM 1163 CB PHE A 69 4.879 2.377 10.105 1.00 0.00 C ATOM 1164 CG PHE A 69 6.027 1.937 9.212 1.00 0.00 C ATOM 1165 CD1 PHE A 69 5.793 1.584 7.868 1.00 0.00 C ATOM 1166 CD2 PHE A 69 7.344 1.923 9.714 1.00 0.00 C ATOM 1167 CE1 PHE A 69 6.870 1.245 7.028 1.00 0.00 C ATOM 1168 CE2 PHE A 69 8.417 1.561 8.879 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.181 1.226 7.535 1.00 0.00 C ATOM 0 H PHE A 69 2.841 3.682 10.818 1.00 0.00 H new ATOM 0 HA PHE A 69 5.721 4.068 11.124 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.914 1.805 11.032 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.937 2.132 9.615 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.785 1.574 7.482 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.530 2.191 10.743 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.689 0.999 5.992 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.423 1.541 9.271 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.005 0.954 6.892 1.00 0.00 H new ATOM 1179 N ALA A 70 4.151 4.767 8.280 1.00 0.00 N ATOM 1180 CA ALA A 70 4.218 5.497 7.014 1.00 0.00 C ATOM 1181 C ALA A 70 2.813 5.786 6.449 1.00 0.00 C ATOM 1182 O ALA A 70 1.850 5.095 6.794 1.00 0.00 O ATOM 1183 CB ALA A 70 5.040 4.656 6.026 1.00 0.00 C ATOM 0 H ALA A 70 3.272 4.264 8.403 1.00 0.00 H new ATOM 0 HA ALA A 70 4.693 6.464 7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.106 5.178 5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.042 4.502 6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.556 3.691 5.879 1.00 0.00 H new ATOM 1189 N GLN A 71 2.690 6.775 5.554 1.00 0.00 N ATOM 1190 CA GLN A 71 1.432 7.089 4.860 1.00 0.00 C ATOM 1191 C GLN A 71 1.648 7.453 3.384 1.00 0.00 C ATOM 1192 O GLN A 71 2.531 8.250 3.067 1.00 0.00 O ATOM 1193 CB GLN A 71 0.661 8.176 5.633 1.00 0.00 C ATOM 1194 CG GLN A 71 1.317 9.570 5.684 1.00 0.00 C ATOM 1195 CD GLN A 71 0.834 10.523 4.586 1.00 0.00 C ATOM 1196 OE1 GLN A 71 -0.343 10.608 4.261 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.710 11.302 3.993 1.00 0.00 N ATOM 0 H GLN A 71 3.464 7.384 5.289 1.00 0.00 H new ATOM 0 HA GLN A 71 0.819 6.188 4.845 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.327 8.279 5.185 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.513 7.829 6.656 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.116 10.020 6.656 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.398 9.455 5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.696 11.248 4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.404 11.961 3.277 1.00 0.00 H new ATOM 1206 N ALA A 72 0.839 6.888 2.486 1.00 0.00 N ATOM 1207 CA ALA A 72 0.861 7.156 1.045 1.00 0.00 C ATOM 1208 C ALA A 72 -0.455 7.815 0.578 1.00 0.00 C ATOM 1209 O ALA A 72 -1.467 7.114 0.453 1.00 0.00 O ATOM 1210 CB ALA A 72 1.151 5.844 0.303 1.00 0.00 C ATOM 0 H ALA A 72 0.126 6.208 2.750 1.00 0.00 H new ATOM 0 HA ALA A 72 1.653 7.869 0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.170 6.030 -0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.117 5.452 0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.372 5.117 0.532 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.477 9.140 0.325 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.624 9.832 -0.255 1.00 0.00 C ATOM 1218 C PRO A 73 -1.763 9.542 -1.760 1.00 0.00 C ATOM 1219 O PRO A 73 -0.771 9.480 -2.492 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.397 11.320 0.031 1.00 0.00 C ATOM 1221 CG PRO A 73 0.124 11.439 0.055 1.00 0.00 C ATOM 1222 CD PRO A 73 0.572 10.098 0.639 1.00 0.00 C ATOM 0 HA PRO A 73 -2.561 9.489 0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.839 11.951 -0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.840 11.620 0.981 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.531 11.599 -0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.452 12.276 0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.524 9.786 0.209 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.719 10.174 1.716 1.00 0.00 H new ATOM 1230 N VAL A 74 -3.006 9.396 -2.221 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.398 8.996 -3.584 1.00 0.00 C ATOM 1232 C VAL A 74 -4.526 9.911 -4.069 1.00 0.00 C ATOM 1233 O VAL A 74 -5.552 10.015 -3.400 1.00 0.00 O ATOM 1234 CB VAL A 74 -3.891 7.528 -3.612 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -3.961 6.997 -5.047 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -3.038 6.556 -2.792 1.00 0.00 C ATOM 0 H VAL A 74 -3.816 9.562 -1.624 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.528 9.083 -4.235 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.880 7.568 -3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.310 5.964 -5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.652 7.608 -5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.970 7.040 -5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.456 5.552 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.018 6.555 -3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.033 6.868 -1.748 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.376 10.565 -5.224 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.401 11.495 -5.750 1.00 0.00 C ATOM 1248 C GLU A 75 -6.442 10.805 -6.655 1.00 0.00 C ATOM 1249 O GLU A 75 -7.560 11.295 -6.812 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.722 12.650 -6.502 1.00 0.00 C ATOM 1251 CG GLU A 75 -3.878 13.536 -5.576 1.00 0.00 C ATOM 1252 CD GLU A 75 -3.289 14.733 -6.348 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -2.169 14.612 -6.903 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -3.936 15.807 -6.402 1.00 0.00 O ATOM 0 H GLU A 75 -3.554 10.473 -5.821 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.949 11.881 -4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.087 12.244 -7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.483 13.260 -6.989 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.493 13.897 -4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.071 12.948 -5.139 1.00 0.00 H new ATOM 1261 N GLN A 76 -6.075 9.664 -7.244 1.00 0.00 N ATOM 1262 CA GLN A 76 -6.938 8.754 -8.006 1.00 0.00 C ATOM 1263 C GLN A 76 -6.274 7.372 -8.128 1.00 0.00 C ATOM 1264 O GLN A 76 -5.044 7.288 -8.187 1.00 0.00 O ATOM 1265 CB GLN A 76 -7.284 9.330 -9.398 1.00 0.00 C ATOM 1266 CG GLN A 76 -6.165 9.357 -10.458 1.00 0.00 C ATOM 1267 CD GLN A 76 -4.959 10.224 -10.098 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -4.897 11.410 -10.394 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -3.953 9.668 -9.456 1.00 0.00 N ATOM 0 H GLN A 76 -5.112 9.330 -7.200 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.876 8.643 -7.463 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.116 8.754 -9.803 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.641 10.351 -9.260 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.822 8.337 -10.630 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.584 9.715 -11.398 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.992 8.681 -9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.134 10.225 -9.211 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.070 6.306 -8.213 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.599 4.929 -8.386 1.00 0.00 C ATOM 1280 C TYR A 77 -7.213 4.289 -9.653 1.00 0.00 C ATOM 1281 O TYR A 77 -8.443 4.304 -9.782 1.00 0.00 O ATOM 1282 CB TYR A 77 -6.934 4.117 -7.127 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.385 2.706 -7.142 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -4.994 2.499 -7.181 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -7.261 1.603 -7.149 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -4.479 1.194 -7.280 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -6.747 0.293 -7.204 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.353 0.085 -7.284 1.00 0.00 C ATOM 1289 OH TYR A 77 -4.859 -1.180 -7.371 1.00 0.00 O ATOM 0 H TYR A 77 -8.086 6.377 -8.162 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.518 4.933 -8.523 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.542 4.640 -6.255 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.017 4.074 -7.012 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.321 3.343 -7.135 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.329 1.762 -7.112 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.413 1.040 -7.353 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.419 -0.552 -7.185 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.970 -1.213 -6.959 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.411 3.713 -10.575 1.00 0.00 N ATOM 1300 CA PRO A 78 -4.942 3.689 -10.595 1.00 0.00 C ATOM 1301 C PRO A 78 -4.284 5.079 -10.699 1.00 0.00 C ATOM 1302 O PRO A 78 -4.822 5.992 -11.328 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.553 2.804 -11.787 1.00 0.00 C ATOM 1304 CG PRO A 78 -5.784 1.925 -11.997 1.00 0.00 C ATOM 1305 CD PRO A 78 -6.920 2.885 -11.658 1.00 0.00 C ATOM 0 HA PRO A 78 -4.577 3.298 -9.645 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.329 3.399 -12.672 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.666 2.208 -11.571 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.853 1.557 -13.021 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.779 1.052 -11.344 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.194 3.491 -12.522 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.815 2.343 -11.352 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.108 5.224 -10.086 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.285 6.441 -10.077 1.00 0.00 C ATOM 1315 C GLY A 79 -0.816 6.151 -9.739 1.00 0.00 C ATOM 1316 O GLY A 79 -0.392 4.994 -9.734 1.00 0.00 O ATOM 0 H GLY A 79 -2.681 4.463 -9.557 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.342 6.922 -11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.690 7.145 -9.350 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.027 7.189 -9.433 1.00 0.00 N ATOM 1321 CA ILE A 80 1.412 7.036 -9.127 1.00 0.00 C ATOM 1322 C ILE A 80 1.666 6.326 -7.786 1.00 0.00 C ATOM 1323 O ILE A 80 2.600 5.535 -7.666 1.00 0.00 O ATOM 1324 CB ILE A 80 2.153 8.397 -9.201 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.666 8.191 -8.944 1.00 0.00 C ATOM 1326 CG2 ILE A 80 1.566 9.447 -8.234 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.558 9.411 -9.193 1.00 0.00 C ATOM 0 H ILE A 80 -0.359 8.153 -9.389 1.00 0.00 H new ATOM 0 HA ILE A 80 1.825 6.387 -9.899 1.00 0.00 H new ATOM 0 HB ILE A 80 2.010 8.792 -10.207 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.799 7.872 -7.910 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.015 7.375 -9.577 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.123 10.379 -8.328 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.519 9.623 -8.480 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.641 9.081 -7.210 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.596 9.152 -8.982 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.466 9.722 -10.234 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.248 10.228 -8.541 1.00 0.00 H new ATOM 1339 N ALA A 81 0.842 6.592 -6.771 1.00 0.00 N ATOM 1340 CA ALA A 81 1.133 6.243 -5.379 1.00 0.00 C ATOM 1341 C ALA A 81 0.751 4.809 -4.987 1.00 0.00 C ATOM 1342 O ALA A 81 0.870 4.464 -3.813 1.00 0.00 O ATOM 1343 CB ALA A 81 0.508 7.321 -4.485 1.00 0.00 C ATOM 0 H ALA A 81 -0.056 7.061 -6.893 1.00 0.00 H new ATOM 0 HA ALA A 81 2.214 6.234 -5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.709 7.088 -3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.940 8.292 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.569 7.351 -4.650 1.00 0.00 H new ATOM 1349 N VAL A 82 0.329 3.981 -5.948 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.066 2.577 -5.753 1.00 0.00 C ATOM 1351 C VAL A 82 0.219 1.766 -7.030 1.00 0.00 C ATOM 1352 O VAL A 82 -0.188 2.159 -8.122 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.563 2.454 -5.397 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -1.917 1.011 -5.002 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -2.055 3.362 -4.262 1.00 0.00 C ATOM 0 H VAL A 82 0.249 4.279 -6.920 1.00 0.00 H new ATOM 0 HA VAL A 82 0.520 2.182 -4.923 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.063 2.773 -6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.977 0.951 -4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.699 0.342 -5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.326 0.716 -4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.119 3.193 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.505 3.134 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.891 4.405 -4.533 1.00 0.00 H new ATOM 1365 N GLU A 83 0.882 0.618 -6.895 1.00 0.00 N ATOM 1366 CA GLU A 83 1.219 -0.328 -7.976 1.00 0.00 C ATOM 1367 C GLU A 83 1.060 -1.796 -7.539 1.00 0.00 C ATOM 1368 O GLU A 83 1.057 -2.113 -6.350 1.00 0.00 O ATOM 1369 CB GLU A 83 2.661 -0.097 -8.476 1.00 0.00 C ATOM 1370 CG GLU A 83 2.742 0.974 -9.567 1.00 0.00 C ATOM 1371 CD GLU A 83 4.148 1.003 -10.197 1.00 0.00 C ATOM 1372 OE1 GLU A 83 4.379 0.275 -11.195 1.00 0.00 O ATOM 1373 OE2 GLU A 83 5.025 1.752 -9.708 1.00 0.00 O ATOM 0 H GLU A 83 1.219 0.300 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 83 0.514 -0.138 -8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.290 0.197 -7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.062 -1.034 -8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.997 0.773 -10.337 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.507 1.951 -9.143 1.00 0.00 H new ATOM 1380 N THR A 84 0.962 -2.702 -8.513 1.00 0.00 N ATOM 1381 CA THR A 84 0.861 -4.165 -8.347 1.00 0.00 C ATOM 1382 C THR A 84 2.156 -4.875 -8.764 1.00 0.00 C ATOM 1383 O THR A 84 2.975 -4.332 -9.511 1.00 0.00 O ATOM 1384 CB THR A 84 -0.306 -4.715 -9.190 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.171 -4.328 -10.545 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.655 -4.187 -8.705 1.00 0.00 C ATOM 0 H THR A 84 0.950 -2.427 -9.495 1.00 0.00 H new ATOM 0 HA THR A 84 0.685 -4.360 -7.289 1.00 0.00 H new ATOM 0 HB THR A 84 -0.272 -5.800 -9.087 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.920 -4.688 -11.064 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.451 -4.598 -9.326 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.811 -4.486 -7.669 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.666 -3.099 -8.774 1.00 0.00 H new ATOM 1394 N VAL A 85 2.337 -6.117 -8.306 1.00 0.00 N ATOM 1395 CA VAL A 85 3.319 -7.065 -8.853 1.00 0.00 C ATOM 1396 C VAL A 85 2.723 -7.852 -10.033 1.00 0.00 C ATOM 1397 O VAL A 85 1.521 -7.790 -10.308 1.00 0.00 O ATOM 1398 CB VAL A 85 3.822 -8.025 -7.763 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.403 -7.250 -6.577 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.717 -8.959 -7.277 1.00 0.00 C ATOM 0 H VAL A 85 1.797 -6.501 -7.531 1.00 0.00 H new ATOM 0 HA VAL A 85 4.170 -6.491 -9.220 1.00 0.00 H new ATOM 0 HB VAL A 85 4.608 -8.632 -8.212 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.752 -7.952 -5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.238 -6.638 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.633 -6.608 -6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.113 -9.621 -6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.899 -8.370 -6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.349 -9.554 -8.113 1.00 0.00 H new ATOM 1410 N THR A 86 3.558 -8.644 -10.701 1.00 0.00 N ATOM 1411 CA THR A 86 3.216 -9.432 -11.897 1.00 0.00 C ATOM 1412 C THR A 86 3.044 -10.928 -11.626 1.00 0.00 C ATOM 1413 O THR A 86 2.351 -11.610 -12.385 1.00 0.00 O ATOM 1414 CB THR A 86 4.294 -9.232 -12.972 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.564 -9.625 -12.494 1.00 0.00 O ATOM 1416 CG2 THR A 86 4.401 -7.764 -13.371 1.00 0.00 C ATOM 0 H THR A 86 4.531 -8.764 -10.418 1.00 0.00 H new ATOM 0 HA THR A 86 2.248 -9.064 -12.238 1.00 0.00 H new ATOM 0 HB THR A 86 4.000 -9.842 -13.827 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.886 -8.968 -11.842 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.171 -7.649 -14.134 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.444 -7.424 -13.768 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.664 -7.168 -12.497 1.00 0.00 H new ATOM 1424 N ASP A 87 3.647 -11.452 -10.552 1.00 0.00 N ATOM 1425 CA ASP A 87 3.717 -12.898 -10.288 1.00 0.00 C ATOM 1426 C ASP A 87 2.679 -13.404 -9.269 1.00 0.00 C ATOM 1427 O ASP A 87 2.114 -14.483 -9.460 1.00 0.00 O ATOM 1428 CB ASP A 87 5.135 -13.258 -9.832 1.00 0.00 C ATOM 1429 CG ASP A 87 5.345 -14.781 -9.792 1.00 0.00 C ATOM 1430 OD1 ASP A 87 5.569 -15.387 -10.868 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.293 -15.378 -8.689 1.00 0.00 O ATOM 0 H ASP A 87 4.103 -10.884 -9.838 1.00 0.00 H new ATOM 0 HA ASP A 87 3.472 -13.401 -11.224 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.861 -12.807 -10.508 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.318 -12.838 -8.843 1.00 0.00 H new ATOM 1436 N SER A 88 2.413 -12.635 -8.201 1.00 0.00 N ATOM 1437 CA SER A 88 1.547 -13.071 -7.084 1.00 0.00 C ATOM 1438 C SER A 88 0.529 -12.006 -6.658 1.00 0.00 C ATOM 1439 O SER A 88 0.896 -10.941 -6.166 1.00 0.00 O ATOM 1440 CB SER A 88 2.418 -13.496 -5.897 1.00 0.00 C ATOM 1441 OG SER A 88 1.613 -14.038 -4.861 1.00 0.00 O ATOM 0 H SER A 88 2.790 -11.694 -8.084 1.00 0.00 H new ATOM 0 HA SER A 88 0.962 -13.920 -7.438 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.150 -14.235 -6.222 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.976 -12.638 -5.522 1.00 0.00 H new ATOM 0 HG SER A 88 2.183 -14.306 -4.110 1.00 0.00 H new ATOM 1447 N SER A 89 -0.767 -12.296 -6.793 1.00 0.00 N ATOM 1448 CA SER A 89 -1.886 -11.338 -6.652 1.00 0.00 C ATOM 1449 C SER A 89 -2.198 -10.869 -5.212 1.00 0.00 C ATOM 1450 O SER A 89 -3.328 -10.479 -4.912 1.00 0.00 O ATOM 1451 CB SER A 89 -3.143 -11.912 -7.327 1.00 0.00 C ATOM 1452 OG SER A 89 -2.857 -12.313 -8.661 1.00 0.00 O ATOM 0 H SER A 89 -1.087 -13.239 -7.012 1.00 0.00 H new ATOM 0 HA SER A 89 -1.553 -10.430 -7.155 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.511 -12.765 -6.756 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.935 -11.163 -7.329 1.00 0.00 H new ATOM 0 HG SER A 89 -3.668 -12.677 -9.074 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.211 -10.914 -4.307 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.302 -10.518 -2.888 1.00 0.00 C ATOM 1460 C ARG A 90 -0.163 -9.588 -2.422 1.00 0.00 C ATOM 1461 O ARG A 90 0.180 -9.569 -1.241 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.556 -11.755 -2.007 1.00 0.00 C ATOM 1463 CG ARG A 90 -0.439 -12.799 -2.054 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.776 -13.999 -1.158 1.00 0.00 C ATOM 1465 NE ARG A 90 0.297 -15.008 -1.205 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.475 -14.926 -0.612 1.00 0.00 C ATOM 1467 NH1 ARG A 90 2.419 -15.773 -0.900 1.00 0.00 N ATOM 1468 NH2 ARG A 90 1.760 -14.000 0.254 1.00 0.00 N ATOM 0 H ARG A 90 -0.278 -11.244 -4.554 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.174 -9.875 -2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.691 -11.431 -0.975 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.489 -12.224 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.293 -13.136 -3.080 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.499 -12.349 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.919 -13.662 -0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.716 -14.447 -1.481 1.00 0.00 H new ATOM 0 HE ARG A 90 0.112 -15.852 -1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.253 -16.507 -1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.326 -15.703 -0.438 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.061 -13.299 0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.683 -13.974 0.688 1.00 0.00 H new ATOM 1482 N TYR A 91 0.418 -8.811 -3.342 1.00 0.00 N ATOM 1483 CA TYR A 91 1.523 -7.878 -3.099 1.00 0.00 C ATOM 1484 C TYR A 91 1.336 -6.567 -3.885 1.00 0.00 C ATOM 1485 O TYR A 91 0.918 -6.588 -5.048 1.00 0.00 O ATOM 1486 CB TYR A 91 2.841 -8.547 -3.506 1.00 0.00 C ATOM 1487 CG TYR A 91 3.260 -9.738 -2.669 1.00 0.00 C ATOM 1488 CD1 TYR A 91 4.080 -9.551 -1.543 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.841 -11.035 -3.024 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.473 -10.655 -0.763 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.236 -12.141 -2.249 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.060 -11.956 -1.117 1.00 0.00 C ATOM 1493 OH TYR A 91 4.445 -13.026 -0.364 1.00 0.00 O ATOM 0 H TYR A 91 0.119 -8.815 -4.317 1.00 0.00 H new ATOM 0 HA TYR A 91 1.540 -7.629 -2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.759 -8.867 -4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.634 -7.800 -3.465 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.409 -8.558 -1.275 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.216 -11.181 -3.892 1.00 0.00 H new ATOM 0 HE1 TYR A 91 5.092 -10.505 0.109 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.908 -13.134 -2.520 1.00 0.00 H new ATOM 0 HH TYR A 91 4.563 -12.745 0.567 1.00 0.00 H new ATOM 1503 N PHE A 92 1.685 -5.432 -3.271 1.00 0.00 N ATOM 1504 CA PHE A 92 1.564 -4.086 -3.852 1.00 0.00 C ATOM 1505 C PHE A 92 2.769 -3.214 -3.503 1.00 0.00 C ATOM 1506 O PHE A 92 3.481 -3.493 -2.544 1.00 0.00 O ATOM 1507 CB PHE A 92 0.292 -3.391 -3.341 1.00 0.00 C ATOM 1508 CG PHE A 92 -0.980 -4.156 -3.613 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.468 -5.039 -2.638 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.660 -4.011 -4.836 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.633 -5.775 -2.876 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.819 -4.768 -5.083 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.306 -5.654 -4.105 1.00 0.00 C ATOM 0 H PHE A 92 2.072 -5.422 -2.327 1.00 0.00 H new ATOM 0 HA PHE A 92 1.515 -4.208 -4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.385 -3.232 -2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.218 -2.407 -3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.942 -5.151 -1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.293 -3.321 -5.582 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.017 -6.438 -2.114 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.336 -4.669 -6.026 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.193 -6.239 -4.297 1.00 0.00 H new ATOM 1523 N VAL A 93 2.971 -2.128 -4.241 1.00 0.00 N ATOM 1524 CA VAL A 93 3.905 -1.046 -3.896 1.00 0.00 C ATOM 1525 C VAL A 93 3.119 0.240 -3.691 1.00 0.00 C ATOM 1526 O VAL A 93 2.166 0.482 -4.426 1.00 0.00 O ATOM 1527 CB VAL A 93 4.993 -0.890 -4.972 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.857 0.367 -4.813 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.909 -2.111 -4.932 1.00 0.00 C ATOM 0 H VAL A 93 2.480 -1.965 -5.120 1.00 0.00 H new ATOM 0 HA VAL A 93 4.421 -1.291 -2.968 1.00 0.00 H new ATOM 0 HB VAL A 93 4.470 -0.797 -5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.599 0.402 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.224 1.253 -4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.363 0.341 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.684 -2.010 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.373 -2.186 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.325 -3.010 -5.127 1.00 0.00 H new ATOM 1539 N ILE A 94 3.511 1.078 -2.729 1.00 0.00 N ATOM 1540 CA ILE A 94 2.909 2.401 -2.532 1.00 0.00 C ATOM 1541 C ILE A 94 3.957 3.499 -2.323 1.00 0.00 C ATOM 1542 O ILE A 94 5.026 3.254 -1.755 1.00 0.00 O ATOM 1543 CB ILE A 94 1.822 2.418 -1.431 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.315 2.127 0.008 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.619 1.532 -1.788 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.534 0.655 0.390 1.00 0.00 C ATOM 0 H ILE A 94 4.254 0.860 -2.065 1.00 0.00 H new ATOM 0 HA ILE A 94 2.396 2.629 -3.466 1.00 0.00 H new ATOM 0 HB ILE A 94 1.503 3.460 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.255 2.658 0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.594 2.553 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.117 1.577 -0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.167 1.888 -2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.952 0.502 -1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.878 0.594 1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.596 0.109 0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.283 0.216 -0.269 1.00 0.00 H new ATOM 1558 N ARG A 95 3.644 4.721 -2.776 1.00 0.00 N ATOM 1559 CA ARG A 95 4.507 5.908 -2.612 1.00 0.00 C ATOM 1560 C ARG A 95 4.215 6.610 -1.285 1.00 0.00 C ATOM 1561 O ARG A 95 3.435 7.564 -1.237 1.00 0.00 O ATOM 1562 CB ARG A 95 4.383 6.862 -3.816 1.00 0.00 C ATOM 1563 CG ARG A 95 5.470 7.948 -3.792 1.00 0.00 C ATOM 1564 CD ARG A 95 5.242 9.011 -4.872 1.00 0.00 C ATOM 1565 NE ARG A 95 6.234 10.097 -4.746 1.00 0.00 N ATOM 1566 CZ ARG A 95 6.109 11.361 -5.101 1.00 0.00 C ATOM 1567 NH1 ARG A 95 7.061 12.197 -4.806 1.00 0.00 N ATOM 1568 NH2 ARG A 95 5.063 11.818 -5.729 1.00 0.00 N ATOM 0 H ARG A 95 2.775 4.919 -3.273 1.00 0.00 H new ATOM 0 HA ARG A 95 5.545 5.576 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.458 6.292 -4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.399 7.331 -3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.485 8.424 -2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.447 7.487 -3.937 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.316 8.556 -5.860 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.235 9.418 -4.783 1.00 0.00 H new ATOM 0 HE ARG A 95 7.129 9.837 -4.332 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.889 11.872 -4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.979 13.178 -5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.296 11.189 -5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.011 12.804 -5.983 1.00 0.00 H new ATOM 1582 N ILE A 96 4.837 6.148 -0.204 1.00 0.00 N ATOM 1583 CA ILE A 96 4.738 6.825 1.098 1.00 0.00 C ATOM 1584 C ILE A 96 5.457 8.177 1.058 1.00 0.00 C ATOM 1585 O ILE A 96 6.494 8.321 0.410 1.00 0.00 O ATOM 1586 CB ILE A 96 5.133 5.935 2.297 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.631 5.558 2.376 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.268 4.665 2.326 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.453 6.513 3.250 1.00 0.00 C ATOM 0 H ILE A 96 5.416 5.308 -0.198 1.00 0.00 H new ATOM 0 HA ILE A 96 3.683 7.030 1.278 1.00 0.00 H new ATOM 0 HB ILE A 96 4.946 6.550 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.723 4.546 2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.049 5.547 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.557 4.047 3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.218 4.942 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.414 4.104 1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.494 6.190 3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.390 7.523 2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.060 6.506 4.266 1.00 0.00 H new ATOM 1601 N GLN A 97 4.874 9.184 1.706 1.00 0.00 N ATOM 1602 CA GLN A 97 5.274 10.593 1.619 1.00 0.00 C ATOM 1603 C GLN A 97 5.322 11.257 3.000 1.00 0.00 C ATOM 1604 O GLN A 97 4.546 10.930 3.898 1.00 0.00 O ATOM 1605 CB GLN A 97 4.310 11.347 0.682 1.00 0.00 C ATOM 1606 CG GLN A 97 4.608 11.090 -0.805 1.00 0.00 C ATOM 1607 CD GLN A 97 3.390 11.278 -1.703 1.00 0.00 C ATOM 1608 OE1 GLN A 97 3.020 12.382 -2.075 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.722 10.208 -2.080 1.00 0.00 N ATOM 0 H GLN A 97 4.080 9.039 2.330 1.00 0.00 H new ATOM 0 HA GLN A 97 6.283 10.637 1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.286 11.045 0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.377 12.416 0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.400 11.764 -1.132 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.985 10.074 -0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.025 9.283 -1.774 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.902 10.304 -2.679 1.00 0.00 H new ATOM 1682 N SER A 103 9.520 11.513 -0.491 1.00 0.00 N ATOM 1683 CA SER A 103 8.857 10.212 -0.656 1.00 0.00 C ATOM 1684 C SER A 103 9.797 9.005 -0.750 1.00 0.00 C ATOM 1685 O SER A 103 10.984 9.140 -1.058 1.00 0.00 O ATOM 1686 CB SER A 103 7.967 10.243 -1.905 1.00 0.00 C ATOM 1687 OG SER A 103 8.689 10.495 -3.104 1.00 0.00 O ATOM 0 HA SER A 103 8.278 10.071 0.257 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.447 9.289 -1.996 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.204 11.011 -1.780 1.00 0.00 H new ATOM 0 HG SER A 103 9.516 10.977 -2.893 1.00 0.00 H new ATOM 1693 N ALA A 104 9.223 7.815 -0.561 1.00 0.00 N ATOM 1694 CA ALA A 104 9.809 6.522 -0.916 1.00 0.00 C ATOM 1695 C ALA A 104 8.740 5.588 -1.514 1.00 0.00 C ATOM 1696 O ALA A 104 7.576 5.627 -1.116 1.00 0.00 O ATOM 1697 CB ALA A 104 10.461 5.906 0.330 1.00 0.00 C ATOM 0 H ALA A 104 8.299 7.723 -0.139 1.00 0.00 H new ATOM 0 HA ALA A 104 10.575 6.664 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.900 4.942 0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.240 6.572 0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.706 5.766 1.104 1.00 0.00 H new ATOM 1703 N PHE A 105 9.135 4.718 -2.445 1.00 0.00 N ATOM 1704 CA PHE A 105 8.299 3.608 -2.913 1.00 0.00 C ATOM 1705 C PHE A 105 8.619 2.354 -2.086 1.00 0.00 C ATOM 1706 O PHE A 105 9.750 1.862 -2.119 1.00 0.00 O ATOM 1707 CB PHE A 105 8.501 3.390 -4.419 1.00 0.00 C ATOM 1708 CG PHE A 105 7.801 4.409 -5.306 1.00 0.00 C ATOM 1709 CD1 PHE A 105 8.426 5.624 -5.652 1.00 0.00 C ATOM 1710 CD2 PHE A 105 6.519 4.126 -5.815 1.00 0.00 C ATOM 1711 CE1 PHE A 105 7.782 6.534 -6.510 1.00 0.00 C ATOM 1712 CE2 PHE A 105 5.878 5.028 -6.680 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.513 6.231 -7.034 1.00 0.00 C ATOM 0 H PHE A 105 10.048 4.763 -2.898 1.00 0.00 H new ATOM 0 HA PHE A 105 7.244 3.842 -2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.569 3.412 -4.636 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.143 2.394 -4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.404 5.857 -5.257 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.024 3.207 -5.538 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.263 7.466 -6.766 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.899 4.798 -7.073 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.027 6.921 -7.707 1.00 0.00 H new ATOM 1723 N ILE A 106 7.635 1.847 -1.337 1.00 0.00 N ATOM 1724 CA ILE A 106 7.771 0.660 -0.472 1.00 0.00 C ATOM 1725 C ILE A 106 6.838 -0.460 -0.931 1.00 0.00 C ATOM 1726 O ILE A 106 5.721 -0.190 -1.367 1.00 0.00 O ATOM 1727 CB ILE A 106 7.585 0.993 1.030 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.127 1.323 1.424 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.540 2.132 1.428 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.903 1.465 2.936 1.00 0.00 C ATOM 0 H ILE A 106 6.701 2.255 -1.311 1.00 0.00 H new ATOM 0 HA ILE A 106 8.796 0.303 -0.575 1.00 0.00 H new ATOM 0 HB ILE A 106 7.833 0.090 1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.831 2.251 0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.473 0.539 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.408 2.365 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.570 1.822 1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.320 3.017 0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.855 1.696 3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.165 0.530 3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.529 2.269 3.323 1.00 0.00 H new ATOM 1742 N GLY A 107 7.279 -1.712 -0.819 1.00 0.00 N ATOM 1743 CA GLY A 107 6.469 -2.893 -1.115 1.00 0.00 C ATOM 1744 C GLY A 107 5.757 -3.394 0.137 1.00 0.00 C ATOM 1745 O GLY A 107 6.345 -3.374 1.217 1.00 0.00 O ATOM 0 H GLY A 107 8.226 -1.938 -0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.735 -2.652 -1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.104 -3.682 -1.517 1.00 0.00 H new ATOM 1749 N ILE A 108 4.516 -3.858 -0.005 1.00 0.00 N ATOM 1750 CA ILE A 108 3.732 -4.522 1.039 1.00 0.00 C ATOM 1751 C ILE A 108 3.187 -5.873 0.564 1.00 0.00 C ATOM 1752 O ILE A 108 2.747 -6.013 -0.579 1.00 0.00 O ATOM 1753 CB ILE A 108 2.614 -3.633 1.629 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.572 -3.139 0.602 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.244 -2.466 2.399 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.334 -2.492 1.249 1.00 0.00 C ATOM 0 H ILE A 108 4.008 -3.779 -0.886 1.00 0.00 H new ATOM 0 HA ILE A 108 4.427 -4.710 1.858 1.00 0.00 H new ATOM 0 HB ILE A 108 2.041 -4.264 2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.044 -2.417 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.253 -3.980 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.457 -1.838 2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.863 -2.855 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.860 -1.874 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.356 -2.168 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.161 -3.218 1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.642 -1.631 1.842 1.00 0.00 H new ATOM 1768 N GLY A 109 3.212 -6.866 1.454 1.00 0.00 N ATOM 1769 CA GLY A 109 2.706 -8.220 1.211 1.00 0.00 C ATOM 1770 C GLY A 109 1.586 -8.632 2.164 1.00 0.00 C ATOM 1771 O GLY A 109 1.628 -8.332 3.361 1.00 0.00 O ATOM 0 H GLY A 109 3.596 -6.748 2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.342 -8.285 0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.529 -8.929 1.302 1.00 0.00 H new ATOM 1775 N PHE A 110 0.603 -9.347 1.616 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.564 -9.896 2.308 1.00 0.00 C ATOM 1777 C PHE A 110 -0.464 -11.423 2.417 1.00 0.00 C ATOM 1778 O PHE A 110 0.156 -12.086 1.582 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.850 -9.482 1.570 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.160 -8.000 1.628 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -1.397 -7.077 0.883 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -3.214 -7.539 2.439 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -1.658 -5.702 0.990 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -3.499 -6.167 2.510 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.711 -5.249 1.795 1.00 0.00 C ATOM 0 H PHE A 110 0.599 -9.571 0.621 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.595 -9.492 3.320 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.767 -9.782 0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.690 -10.033 1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -0.612 -7.428 0.230 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -3.804 -8.242 3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -1.047 -4.993 0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -4.323 -5.817 3.114 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.918 -4.191 1.866 1.00 0.00 H new ATOM 1795 N THR A 111 -1.114 -11.997 3.431 1.00 0.00 N ATOM 1796 CA THR A 111 -1.090 -13.447 3.700 1.00 0.00 C ATOM 1797 C THR A 111 -1.920 -14.252 2.692 1.00 0.00 C ATOM 1798 O THR A 111 -1.659 -15.434 2.466 1.00 0.00 O ATOM 1799 CB THR A 111 -1.533 -13.712 5.151 1.00 0.00 C ATOM 1800 OG1 THR A 111 -1.194 -15.023 5.545 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.031 -13.508 5.404 1.00 0.00 C ATOM 0 H THR A 111 -1.678 -11.470 4.097 1.00 0.00 H new ATOM 0 HA THR A 111 -0.064 -13.794 3.575 1.00 0.00 H new ATOM 0 HB THR A 111 -0.999 -12.969 5.743 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.482 -15.171 6.470 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.255 -13.716 6.450 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.302 -12.478 5.173 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.603 -14.185 4.769 1.00 0.00 H new ATOM 1809 N ASP A 112 -2.898 -13.608 2.042 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.814 -14.238 1.091 1.00 0.00 C ATOM 1811 C ASP A 112 -4.388 -13.216 0.095 1.00 0.00 C ATOM 1812 O ASP A 112 -4.563 -12.034 0.418 1.00 0.00 O ATOM 1813 CB ASP A 112 -4.946 -14.947 1.857 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.784 -15.839 0.929 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -6.832 -15.369 0.430 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -5.373 -16.992 0.663 1.00 0.00 O ATOM 0 H ASP A 112 -3.076 -12.612 2.168 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.255 -14.973 0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.521 -15.552 2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.590 -14.203 2.327 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.721 -13.675 -1.117 1.00 0.00 N ATOM 1822 CA ARG A 113 -5.331 -12.847 -2.169 1.00 0.00 C ATOM 1823 C ARG A 113 -6.666 -12.233 -1.739 1.00 0.00 C ATOM 1824 O ARG A 113 -6.948 -11.100 -2.114 1.00 0.00 O ATOM 1825 CB ARG A 113 -5.448 -13.689 -3.452 1.00 0.00 C ATOM 1826 CG ARG A 113 -5.902 -12.872 -4.671 1.00 0.00 C ATOM 1827 CD ARG A 113 -7.418 -12.914 -4.914 1.00 0.00 C ATOM 1828 NE ARG A 113 -7.789 -12.127 -6.105 1.00 0.00 N ATOM 1829 CZ ARG A 113 -8.003 -12.557 -7.335 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -8.320 -11.710 -8.270 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -7.906 -13.814 -7.667 1.00 0.00 N ATOM 0 H ARG A 113 -4.573 -14.644 -1.400 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.686 -11.990 -2.365 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -4.483 -14.147 -3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -6.155 -14.501 -3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -5.593 -11.835 -4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -5.390 -13.245 -5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -7.740 -13.947 -5.043 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -7.940 -12.524 -4.040 1.00 0.00 H new ATOM 0 HE ARG A 113 -7.894 -11.123 -5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.403 -10.717 -8.052 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.486 -12.039 -9.221 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -7.656 -14.509 -6.964 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.080 -14.102 -8.630 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.453 -12.916 -0.909 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.724 -12.407 -0.384 1.00 0.00 C ATOM 1847 C GLY A 114 -8.594 -11.167 0.515 1.00 0.00 C ATOM 1848 O GLY A 114 -9.565 -10.429 0.669 1.00 0.00 O ATOM 0 H GLY A 114 -7.224 -13.853 -0.576 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.377 -12.165 -1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.212 -13.200 0.182 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.402 -10.891 1.062 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.128 -9.692 1.874 1.00 0.00 C ATOM 1854 C ASP A 115 -6.534 -8.556 1.027 1.00 0.00 C ATOM 1855 O ASP A 115 -6.923 -7.394 1.167 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.217 -10.056 3.055 1.00 0.00 C ATOM 1857 CG ASP A 115 -6.913 -10.998 4.049 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -6.416 -12.123 4.279 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -7.953 -10.591 4.622 1.00 0.00 O ATOM 0 H ASP A 115 -6.590 -11.499 0.953 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.073 -9.321 2.270 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.310 -10.530 2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.911 -9.146 3.571 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.679 -8.900 0.061 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.239 -7.999 -1.006 1.00 0.00 C ATOM 1866 C ALA A 116 -6.404 -7.490 -1.882 1.00 0.00 C ATOM 1867 O ALA A 116 -6.371 -6.368 -2.396 1.00 0.00 O ATOM 1868 CB ALA A 116 -4.226 -8.785 -1.832 1.00 0.00 C ATOM 0 H ALA A 116 -5.266 -9.830 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.799 -7.098 -0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.860 -8.162 -2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.390 -9.080 -1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.703 -9.675 -2.242 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.465 -8.291 -2.009 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.744 -7.923 -2.631 1.00 0.00 C ATOM 1876 C PHE A 117 -9.795 -7.383 -1.639 1.00 0.00 C ATOM 1877 O PHE A 117 -10.973 -7.264 -1.975 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.213 -9.029 -3.590 1.00 0.00 C ATOM 1879 CG PHE A 117 -8.496 -8.965 -4.930 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.120 -9.257 -5.026 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -9.186 -8.523 -6.077 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -6.444 -9.108 -6.250 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.510 -8.373 -7.301 1.00 0.00 C ATOM 1884 CZ PHE A 117 -7.137 -8.661 -7.388 1.00 0.00 C ATOM 0 H PHE A 117 -7.458 -9.252 -1.668 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.580 -7.046 -3.257 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.039 -10.003 -3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.287 -8.939 -3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.582 -9.597 -4.154 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.241 -8.298 -6.015 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -5.391 -9.337 -6.316 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.047 -8.036 -8.176 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.616 -8.539 -8.326 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.355 -6.933 -0.459 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.946 -5.765 0.208 1.00 0.00 C ATOM 1896 C ASP A 118 -9.095 -4.500 -0.020 1.00 0.00 C ATOM 1897 O ASP A 118 -9.662 -3.442 -0.290 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.173 -6.038 1.702 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.367 -6.970 1.963 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -12.495 -6.670 1.502 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -11.192 -7.968 2.701 1.00 0.00 O ATOM 0 H ASP A 118 -8.587 -7.362 0.057 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.922 -5.581 -0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.272 -6.482 2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.337 -5.092 2.219 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.755 -4.592 -0.012 1.00 0.00 N ATOM 1907 CA PHE A 119 -6.852 -3.452 -0.255 1.00 0.00 C ATOM 1908 C PHE A 119 -7.148 -2.724 -1.579 1.00 0.00 C ATOM 1909 O PHE A 119 -7.458 -1.533 -1.574 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.386 -3.922 -0.177 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.357 -2.884 -0.604 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -3.999 -2.751 -1.959 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -3.764 -2.034 0.347 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.102 -1.748 -2.366 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.872 -1.029 -0.057 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.541 -0.880 -1.414 1.00 0.00 C ATOM 0 H PHE A 119 -7.262 -5.467 0.165 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.030 -2.716 0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.171 -4.226 0.848 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.269 -4.807 -0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.417 -3.425 -2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.997 -2.156 1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.844 -1.645 -3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.438 -0.367 0.678 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.859 -0.102 -1.724 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.106 -3.426 -2.718 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.269 -2.774 -4.029 1.00 0.00 C ATOM 1928 C ASN A 120 -8.734 -2.496 -4.392 1.00 0.00 C ATOM 1929 O ASN A 120 -9.029 -1.614 -5.202 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.537 -3.555 -5.132 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.293 -4.744 -5.705 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -7.984 -4.645 -6.706 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -7.192 -5.904 -5.106 1.00 0.00 N ATOM 0 H ASN A 120 -6.962 -4.435 -2.762 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.800 -1.793 -3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.304 -2.868 -5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.587 -3.909 -4.732 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -7.688 -6.714 -5.477 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -6.617 -5.997 -4.269 1.00 0.00 H new ATOM 1940 N VAL A 121 -9.662 -3.239 -3.788 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.098 -3.116 -4.060 1.00 0.00 C ATOM 1942 C VAL A 121 -11.702 -1.945 -3.277 1.00 0.00 C ATOM 1943 O VAL A 121 -12.483 -1.177 -3.835 1.00 0.00 O ATOM 1944 CB VAL A 121 -11.816 -4.450 -3.788 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.334 -4.351 -3.985 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -11.296 -5.537 -4.741 1.00 0.00 C ATOM 0 H VAL A 121 -9.438 -3.949 -3.091 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.241 -2.890 -5.117 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.608 -4.701 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -13.791 -5.319 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -13.742 -3.606 -3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -13.549 -4.058 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -11.812 -6.476 -4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -11.482 -5.236 -5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.225 -5.672 -4.590 1.00 0.00 H new ATOM 1956 N SER A 122 -11.283 -1.730 -2.026 1.00 0.00 N ATOM 1957 CA SER A 122 -11.695 -0.559 -1.237 1.00 0.00 C ATOM 1958 C SER A 122 -11.178 0.765 -1.820 1.00 0.00 C ATOM 1959 O SER A 122 -11.873 1.778 -1.749 1.00 0.00 O ATOM 1960 CB SER A 122 -11.250 -0.713 0.218 1.00 0.00 C ATOM 1961 OG SER A 122 -9.843 -0.692 0.330 1.00 0.00 O ATOM 0 H SER A 122 -10.651 -2.359 -1.531 1.00 0.00 H new ATOM 0 HA SER A 122 -12.783 -0.517 -1.280 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.677 0.091 0.818 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.635 -1.650 0.621 1.00 0.00 H new ATOM 0 HG SER A 122 -9.487 -1.588 0.152 1.00 0.00 H new ATOM 1967 N LEU A 123 -10.004 0.750 -2.467 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.456 1.891 -3.205 1.00 0.00 C ATOM 1969 C LEU A 123 -10.258 2.188 -4.482 1.00 0.00 C ATOM 1970 O LEU A 123 -10.725 3.312 -4.661 1.00 0.00 O ATOM 1971 CB LEU A 123 -7.967 1.637 -3.515 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.032 1.759 -2.295 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.636 1.255 -2.668 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.897 3.208 -1.815 1.00 0.00 C ATOM 0 H LEU A 123 -9.400 -0.071 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.539 2.780 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -7.862 0.638 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.642 2.344 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.469 1.163 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -4.975 1.341 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.696 0.211 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.241 1.853 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.229 3.245 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.488 3.821 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.877 3.590 -1.530 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.484 1.201 -5.357 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.218 1.444 -6.611 1.00 0.00 C ATOM 1988 C GLN A 124 -12.705 1.783 -6.378 1.00 0.00 C ATOM 1989 O GLN A 124 -13.283 2.572 -7.125 1.00 0.00 O ATOM 1990 CB GLN A 124 -10.998 0.281 -7.596 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.812 -0.977 -7.286 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.296 -2.192 -8.054 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -11.888 -2.661 -9.017 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.171 -2.740 -7.649 1.00 0.00 N ATOM 0 H GLN A 124 -10.175 0.238 -5.226 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.805 2.340 -7.075 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.247 0.621 -8.601 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -9.939 0.021 -7.601 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -11.773 -1.180 -6.216 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -12.858 -0.804 -7.540 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.675 -2.352 -6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -9.795 -3.553 -8.137 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.309 1.277 -5.295 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.677 1.603 -4.878 1.00 0.00 C ATOM 2005 C ASP A 125 -14.763 2.919 -4.072 1.00 0.00 C ATOM 2006 O ASP A 125 -15.857 3.384 -3.749 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.274 0.411 -4.113 1.00 0.00 C ATOM 2008 CG ASP A 125 -16.782 0.559 -3.847 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.544 0.846 -4.803 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.219 0.356 -2.689 1.00 0.00 O ATOM 0 H ASP A 125 -12.849 0.615 -4.671 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.272 1.781 -5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.099 -0.502 -4.682 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.753 0.299 -3.162 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.625 3.567 -3.793 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.581 4.949 -3.306 1.00 0.00 C ATOM 2017 C HIS A 126 -13.499 5.972 -4.446 1.00 0.00 C ATOM 2018 O HIS A 126 -14.024 7.074 -4.308 1.00 0.00 O ATOM 2019 CB HIS A 126 -12.433 5.117 -2.302 1.00 0.00 C ATOM 2020 CG HIS A 126 -12.304 6.529 -1.787 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -13.188 7.152 -0.902 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.348 7.425 -2.166 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -12.736 8.409 -0.762 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.632 8.600 -1.507 1.00 0.00 N ATOM 0 H HIS A 126 -12.703 3.143 -3.900 1.00 0.00 H new ATOM 0 HA HIS A 126 -14.521 5.152 -2.793 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -12.591 4.442 -1.461 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.497 4.822 -2.776 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -10.530 7.248 -2.848 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -13.195 9.162 -0.138 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -11.097 9.466 -1.572 1.00 0.00 H new ATOM 2032 N PHE A 127 -12.902 5.610 -5.587 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.696 6.521 -6.723 1.00 0.00 C ATOM 2034 C PHE A 127 -13.681 6.357 -7.894 1.00 0.00 C ATOM 2035 O PHE A 127 -13.646 7.176 -8.813 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.235 6.439 -7.182 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.242 7.016 -6.190 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -9.315 6.177 -5.546 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -10.221 8.400 -5.933 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -8.336 6.716 -4.696 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -9.252 8.941 -5.069 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.301 8.101 -4.464 1.00 0.00 C ATOM 0 H PHE A 127 -12.545 4.669 -5.751 1.00 0.00 H new ATOM 0 HA PHE A 127 -12.918 7.522 -6.353 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -10.982 5.395 -7.368 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -11.133 6.966 -8.131 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -9.356 5.110 -5.707 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -10.949 9.047 -6.400 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -7.613 6.068 -4.223 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.239 10.002 -4.870 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.543 8.521 -3.820 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.600 5.375 -7.879 1.00 0.00 N ATOM 2053 CA LYS A 128 -15.524 5.121 -9.012 1.00 0.00 C ATOM 2054 C LYS A 128 -16.383 6.323 -9.439 1.00 0.00 C ATOM 2055 O LYS A 128 -16.730 6.439 -10.613 1.00 0.00 O ATOM 2056 CB LYS A 128 -16.379 3.854 -8.803 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.636 3.999 -7.927 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.302 4.157 -6.443 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.550 4.243 -5.562 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.256 2.939 -5.460 1.00 0.00 N ATOM 0 H LYS A 128 -14.727 4.738 -7.092 1.00 0.00 H new ATOM 0 HA LYS A 128 -14.858 4.942 -9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.688 3.488 -9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -15.744 3.086 -8.361 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -18.210 4.864 -8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.271 3.124 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.692 3.313 -6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.702 5.056 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.266 4.580 -4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.230 4.991 -5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -20.113 3.053 -4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -19.521 2.612 -6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.629 2.239 -5.015 1.00 0.00 H new