USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 758 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 38 LYS NZ :NH3+ 131:sc= 0.849 (180deg=0.329) USER MOD Set 1.2: A 117 GLN : amide:sc= -0.344 K(o=0.51,f=-0.74!) USER MOD Set 2.1: A 30 GLN : amide:sc= -7.01! C(o=-11!,f=-15!) USER MOD Set 2.2: A 90 GLN : amide:sc= -3.51! C(o=-11!,f=-14!) USER MOD Single : A 29 ASN : amide:sc= 0.409 K(o=0.41,f=-5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= -0.0462 (180deg=-0.325) USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= 1.29 (180deg=1.13) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 137:sc= -0.158 (180deg=-0.833) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 49 GLN : amide:sc= -5.72! K(o=-5.7!,f=-1) USER MOD Single : A 52 SER OG : rot 87:sc= 0.123 USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0165) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0463) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc=-0.00386 X(o=-0.0039,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.076) USER MOD Single : A 86 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-5.5!) USER MOD Single : A 97 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.6!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= 0.399 K(o=0.4,f=-4.5!) USER MOD Single : A 106 THR OG1 : rot -120:sc= -0.634 USER MOD Single : A 108 CYS SG : rot 1:sc= -0.608 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.64) USER MOD Single : A 116 TYR OH : rot -55:sc= 0.0252 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot -31:sc= 0.186 USER MOD ----------------------------------------------------------------- ATOM 180 N ARG A 28 2.456 17.219 2.559 1.00 0.00 N ATOM 181 CA ARG A 28 1.097 17.012 2.088 1.00 0.00 C ATOM 182 C ARG A 28 1.082 16.511 0.648 1.00 0.00 C ATOM 183 O ARG A 28 0.097 15.941 0.186 1.00 0.00 O ATOM 184 CB ARG A 28 0.285 18.307 2.234 1.00 0.00 C ATOM 185 CG ARG A 28 1.081 19.573 1.950 1.00 0.00 C ATOM 186 CD ARG A 28 1.205 19.816 0.456 1.00 0.00 C ATOM 187 NE ARG A 28 2.397 20.586 0.100 1.00 0.00 N ATOM 188 CZ ARG A 28 2.363 21.742 -0.562 1.00 0.00 C ATOM 189 NH1 ARG A 28 1.206 22.336 -0.816 1.00 0.00 N ATOM 190 NH2 ARG A 28 3.494 22.318 -0.944 1.00 0.00 N ATOM 0 HA ARG A 28 0.632 16.242 2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.568 18.267 1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.114 18.361 3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.594 20.426 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.074 19.489 2.392 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.230 18.857 -0.062 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.319 20.345 0.105 1.00 0.00 H new ATOM 0 HE ARG A 28 3.307 20.216 0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.334 21.908 -0.504 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.187 23.221 -1.323 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.388 21.876 -0.731 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.470 23.203 -1.451 1.00 0.00 H new ATOM 204 N ASN A 29 2.187 16.729 -0.047 1.00 0.00 N ATOM 205 CA ASN A 29 2.351 16.255 -1.409 1.00 0.00 C ATOM 206 C ASN A 29 3.203 14.996 -1.405 1.00 0.00 C ATOM 207 O ASN A 29 3.949 14.749 -0.457 1.00 0.00 O ATOM 208 CB ASN A 29 2.977 17.326 -2.305 1.00 0.00 C ATOM 209 CG ASN A 29 4.353 17.774 -1.837 1.00 0.00 C ATOM 210 OD1 ASN A 29 4.612 17.892 -0.636 1.00 0.00 O ATOM 211 ND2 ASN A 29 5.251 18.005 -2.783 1.00 0.00 N ATOM 0 H ASN A 29 2.992 17.238 0.317 1.00 0.00 H new ATOM 0 HA ASN A 29 1.367 16.027 -1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.055 16.939 -3.321 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.314 18.191 -2.343 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.196 18.292 -2.530 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.997 17.896 -3.765 1.00 0.00 H new ATOM 218 N GLN A 30 3.080 14.201 -2.456 1.00 0.00 N ATOM 219 CA GLN A 30 3.647 12.860 -2.475 1.00 0.00 C ATOM 220 C GLN A 30 5.097 12.855 -2.949 1.00 0.00 C ATOM 221 O GLN A 30 5.391 13.253 -4.079 1.00 0.00 O ATOM 222 CB GLN A 30 2.839 11.928 -3.394 1.00 0.00 C ATOM 223 CG GLN A 30 1.345 12.211 -3.453 1.00 0.00 C ATOM 224 CD GLN A 30 1.018 13.427 -4.293 1.00 0.00 C ATOM 225 OE1 GLN A 30 0.045 14.122 -4.041 1.00 0.00 O ATOM 226 NE2 GLN A 30 1.842 13.695 -5.293 1.00 0.00 N ATOM 0 H GLN A 30 2.590 14.462 -3.312 1.00 0.00 H new ATOM 0 HA GLN A 30 3.606 12.502 -1.446 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.246 11.997 -4.403 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.985 10.900 -3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.830 11.342 -3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.966 12.360 -2.442 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.643 13.089 -5.470 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.676 14.507 -5.887 1.00 0.00 H new ATOM 235 N PRO A 31 6.021 12.426 -2.077 1.00 0.00 N ATOM 236 CA PRO A 31 7.381 12.059 -2.467 1.00 0.00 C ATOM 237 C PRO A 31 7.406 10.731 -3.236 1.00 0.00 C ATOM 238 O PRO A 31 6.379 10.279 -3.748 1.00 0.00 O ATOM 239 CB PRO A 31 8.134 11.924 -1.134 1.00 0.00 C ATOM 240 CG PRO A 31 7.230 12.508 -0.102 1.00 0.00 C ATOM 241 CD PRO A 31 5.837 12.318 -0.623 1.00 0.00 C ATOM 0 HA PRO A 31 7.827 12.798 -3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.357 10.880 -0.914 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.086 12.454 -1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.359 12.009 0.858 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.448 13.564 0.056 1.00 0.00 H new ATOM 0 HD2 PRO A 31 5.426 11.350 -0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.155 13.079 -0.243 1.00 0.00 H new ATOM 249 N LEU A 32 8.580 10.123 -3.348 1.00 0.00 N ATOM 250 CA LEU A 32 8.718 8.843 -4.039 1.00 0.00 C ATOM 251 C LEU A 32 7.861 7.765 -3.372 1.00 0.00 C ATOM 252 O LEU A 32 7.723 7.736 -2.145 1.00 0.00 O ATOM 253 CB LEU A 32 10.187 8.394 -4.073 1.00 0.00 C ATOM 254 CG LEU A 32 11.116 9.197 -4.997 1.00 0.00 C ATOM 255 CD1 LEU A 32 11.382 10.589 -4.442 1.00 0.00 C ATOM 256 CD2 LEU A 32 12.425 8.449 -5.210 1.00 0.00 C ATOM 0 H LEU A 32 9.452 10.494 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 32 8.370 8.982 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.585 8.443 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.220 7.348 -4.378 1.00 0.00 H new ATOM 0 HG LEU A 32 10.616 9.312 -5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.042 11.131 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.440 11.128 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.855 10.506 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.073 9.030 -5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.920 8.301 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.221 7.480 -5.666 1.00 0.00 H new ATOM 268 N LYS A 33 7.280 6.887 -4.187 1.00 0.00 N ATOM 269 CA LYS A 33 6.416 5.817 -3.686 1.00 0.00 C ATOM 270 C LYS A 33 7.231 4.663 -3.102 1.00 0.00 C ATOM 271 O LYS A 33 7.312 3.580 -3.682 1.00 0.00 O ATOM 272 CB LYS A 33 5.450 5.305 -4.780 1.00 0.00 C ATOM 273 CG LYS A 33 5.920 5.496 -6.223 1.00 0.00 C ATOM 274 CD LYS A 33 7.235 4.778 -6.516 1.00 0.00 C ATOM 275 CE LYS A 33 7.737 5.083 -7.922 1.00 0.00 C ATOM 276 NZ LYS A 33 8.958 4.306 -8.271 1.00 0.00 N ATOM 0 H LYS A 33 7.392 6.895 -5.201 1.00 0.00 H new ATOM 0 HA LYS A 33 5.816 6.244 -2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.272 4.243 -4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.492 5.812 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.151 5.128 -6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.040 6.561 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.986 5.081 -5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.097 3.703 -6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.950 4.860 -8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.952 6.148 -8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.260 4.549 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.720 4.537 -7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.749 3.289 -8.219 1.00 0.00 H new ATOM 290 N LYS A 34 7.825 4.905 -1.943 1.00 0.00 N ATOM 291 CA LYS A 34 8.651 3.906 -1.277 1.00 0.00 C ATOM 292 C LYS A 34 7.815 2.992 -0.384 1.00 0.00 C ATOM 293 O LYS A 34 8.264 1.912 0.004 1.00 0.00 O ATOM 294 CB LYS A 34 9.728 4.592 -0.438 1.00 0.00 C ATOM 295 CG LYS A 34 10.727 5.395 -1.256 1.00 0.00 C ATOM 296 CD LYS A 34 11.527 4.504 -2.187 1.00 0.00 C ATOM 297 CE LYS A 34 12.534 5.309 -2.985 1.00 0.00 C ATOM 298 NZ LYS A 34 13.517 6.000 -2.108 1.00 0.00 N ATOM 0 H LYS A 34 7.750 5.790 -1.441 1.00 0.00 H new ATOM 0 HA LYS A 34 9.118 3.295 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.247 5.254 0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.266 3.836 0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.199 6.150 -1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.405 5.925 -0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.045 3.740 -1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.852 3.985 -2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.063 4.649 -3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.009 6.046 -3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.332 6.308 -2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.068 6.829 -1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.839 5.347 -1.366 1.00 0.00 H new ATOM 312 N GLU A 35 6.603 3.423 -0.060 1.00 0.00 N ATOM 313 CA GLU A 35 5.734 2.652 0.824 1.00 0.00 C ATOM 314 C GLU A 35 5.036 1.521 0.082 1.00 0.00 C ATOM 315 O GLU A 35 5.067 1.441 -1.150 1.00 0.00 O ATOM 316 CB GLU A 35 4.699 3.551 1.503 1.00 0.00 C ATOM 317 CG GLU A 35 5.298 4.459 2.565 1.00 0.00 C ATOM 318 CD GLU A 35 4.255 5.240 3.336 1.00 0.00 C ATOM 319 OE1 GLU A 35 3.361 4.615 3.947 1.00 0.00 O ATOM 320 OE2 GLU A 35 4.340 6.478 3.364 1.00 0.00 O ATOM 0 H GLU A 35 6.199 4.298 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 35 6.372 2.212 1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.207 4.163 0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.930 2.928 1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.881 3.857 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.988 5.156 2.091 1.00 0.00 H new ATOM 327 N LYS A 36 4.407 0.655 0.857 1.00 0.00 N ATOM 328 CA LYS A 36 3.743 -0.532 0.342 1.00 0.00 C ATOM 329 C LYS A 36 2.224 -0.371 0.436 1.00 0.00 C ATOM 330 O LYS A 36 1.729 0.317 1.332 1.00 0.00 O ATOM 331 CB LYS A 36 4.208 -1.757 1.146 1.00 0.00 C ATOM 332 CG LYS A 36 4.052 -1.597 2.653 1.00 0.00 C ATOM 333 CD LYS A 36 4.693 -2.737 3.413 1.00 0.00 C ATOM 334 CE LYS A 36 4.321 -2.660 4.877 1.00 0.00 C ATOM 335 NZ LYS A 36 5.282 -3.397 5.745 1.00 0.00 N ATOM 0 H LYS A 36 4.342 0.756 1.870 1.00 0.00 H new ATOM 0 HA LYS A 36 4.004 -0.671 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.641 -2.630 0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.255 -1.954 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.501 -0.655 2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.993 -1.544 2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.367 -3.690 2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.777 -2.694 3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.284 -1.615 5.186 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.321 -3.069 5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.806 -3.683 6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.623 -4.243 5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.088 -2.780 5.972 1.00 0.00 H new ATOM 349 N PRO A 37 1.469 -0.998 -0.488 1.00 0.00 N ATOM 350 CA PRO A 37 0.005 -0.890 -0.518 1.00 0.00 C ATOM 351 C PRO A 37 -0.624 -1.420 0.763 1.00 0.00 C ATOM 352 O PRO A 37 -0.205 -2.452 1.290 1.00 0.00 O ATOM 353 CB PRO A 37 -0.413 -1.742 -1.717 1.00 0.00 C ATOM 354 CG PRO A 37 0.829 -1.945 -2.521 1.00 0.00 C ATOM 355 CD PRO A 37 1.978 -1.869 -1.556 1.00 0.00 C ATOM 0 HA PRO A 37 -0.324 0.146 -0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.830 -2.696 -1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.182 -1.241 -2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.810 -2.910 -3.027 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.920 -1.182 -3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.249 -2.854 -1.176 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.869 -1.451 -2.024 1.00 0.00 H new ATOM 363 N LYS A 38 -1.631 -0.721 1.261 1.00 0.00 N ATOM 364 CA LYS A 38 -2.167 -1.017 2.577 1.00 0.00 C ATOM 365 C LYS A 38 -3.568 -1.603 2.523 1.00 0.00 C ATOM 366 O LYS A 38 -4.499 -1.013 1.975 1.00 0.00 O ATOM 367 CB LYS A 38 -2.114 0.236 3.456 1.00 0.00 C ATOM 368 CG LYS A 38 -2.791 0.112 4.820 1.00 0.00 C ATOM 369 CD LYS A 38 -4.288 0.397 4.752 1.00 0.00 C ATOM 370 CE LYS A 38 -4.575 1.743 4.104 1.00 0.00 C ATOM 371 NZ LYS A 38 -4.006 2.872 4.884 1.00 0.00 N ATOM 0 H LYS A 38 -2.090 0.050 0.777 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.539 -1.788 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.069 0.505 3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.578 1.059 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.632 -0.893 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.323 0.805 5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.783 -0.392 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.708 0.380 5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.161 1.755 3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.653 1.876 4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.475 3.500 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.777 3.406 5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.368 2.501 5.617 1.00 0.00 H new ATOM 385 N TRP A 39 -3.657 -2.785 3.105 1.00 0.00 N ATOM 386 CA TRP A 39 -4.916 -3.508 3.339 1.00 0.00 C ATOM 387 C TRP A 39 -4.575 -4.886 3.921 1.00 0.00 C ATOM 388 O TRP A 39 -5.372 -5.827 3.878 1.00 0.00 O ATOM 389 CB TRP A 39 -5.699 -3.679 2.024 1.00 0.00 C ATOM 390 CG TRP A 39 -5.160 -4.782 1.152 1.00 0.00 C ATOM 391 CD1 TRP A 39 -3.886 -4.899 0.673 1.00 0.00 C ATOM 392 CD2 TRP A 39 -5.876 -5.925 0.664 1.00 0.00 C ATOM 393 NE1 TRP A 39 -3.768 -6.043 -0.078 1.00 0.00 N ATOM 394 CE2 TRP A 39 -4.973 -6.688 -0.102 1.00 0.00 C ATOM 395 CE3 TRP A 39 -7.188 -6.378 0.802 1.00 0.00 C ATOM 396 CZ2 TRP A 39 -5.344 -7.874 -0.729 1.00 0.00 C ATOM 397 CZ3 TRP A 39 -7.555 -7.556 0.177 1.00 0.00 C ATOM 398 CH2 TRP A 39 -6.636 -8.293 -0.578 1.00 0.00 C ATOM 0 H TRP A 39 -2.838 -3.292 3.441 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.539 -2.942 4.032 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.744 -3.885 2.255 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.674 -2.741 1.469 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -3.088 -4.195 0.858 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -2.918 -6.360 -0.543 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -7.904 -5.819 1.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.636 -8.443 -1.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -8.570 -7.914 0.274 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -6.954 -9.211 -1.051 1.00 0.00 H new ATOM 409 N LYS A 40 -3.401 -4.971 4.525 1.00 0.00 N ATOM 410 CA LYS A 40 -2.717 -6.236 4.675 1.00 0.00 C ATOM 411 C LYS A 40 -2.024 -6.307 6.022 1.00 0.00 C ATOM 412 O LYS A 40 -1.618 -5.288 6.577 1.00 0.00 O ATOM 413 CB LYS A 40 -1.708 -6.373 3.533 1.00 0.00 C ATOM 414 CG LYS A 40 -1.124 -7.766 3.380 1.00 0.00 C ATOM 415 CD LYS A 40 0.281 -7.864 3.944 1.00 0.00 C ATOM 416 CE LYS A 40 1.273 -7.010 3.161 1.00 0.00 C ATOM 417 NZ LYS A 40 2.685 -7.304 3.528 1.00 0.00 N ATOM 0 H LYS A 40 -2.904 -4.173 4.920 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.432 -7.057 4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.193 -6.090 2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.894 -5.666 3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.768 -8.485 3.886 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.110 -8.038 2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.275 -7.548 4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.606 -8.904 3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.134 -7.182 2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.065 -5.956 3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.322 -6.700 2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.827 -7.115 4.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.894 -8.303 3.330 1.00 0.00 H new ATOM 431 N SER A 41 -1.918 -7.517 6.545 1.00 0.00 N ATOM 432 CA SER A 41 -1.251 -7.762 7.806 1.00 0.00 C ATOM 433 C SER A 41 0.235 -7.477 7.682 1.00 0.00 C ATOM 434 O SER A 41 0.920 -8.092 6.870 1.00 0.00 O ATOM 435 CB SER A 41 -1.460 -9.221 8.205 1.00 0.00 C ATOM 436 OG SER A 41 -2.842 -9.505 8.361 1.00 0.00 O ATOM 0 H SER A 41 -2.294 -8.356 6.104 1.00 0.00 H new ATOM 0 HA SER A 41 -1.670 -7.104 8.567 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.032 -9.876 7.446 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.934 -9.427 9.137 1.00 0.00 H new ATOM 0 HG SER A 41 -2.956 -10.445 8.615 1.00 0.00 H new ATOM 442 N ASP A 42 0.730 -6.534 8.472 1.00 0.00 N ATOM 443 CA ASP A 42 2.159 -6.247 8.493 1.00 0.00 C ATOM 444 C ASP A 42 2.910 -7.465 9.021 1.00 0.00 C ATOM 445 O ASP A 42 4.079 -7.683 8.705 1.00 0.00 O ATOM 446 CB ASP A 42 2.455 -5.014 9.347 1.00 0.00 C ATOM 447 CG ASP A 42 3.901 -4.568 9.237 1.00 0.00 C ATOM 448 OD1 ASP A 42 4.344 -4.243 8.115 1.00 0.00 O ATOM 449 OD2 ASP A 42 4.598 -4.538 10.271 1.00 0.00 O ATOM 0 H ASP A 42 0.170 -5.959 9.102 1.00 0.00 H new ATOM 0 HA ASP A 42 2.494 -6.032 7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.801 -4.197 9.040 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.223 -5.233 10.389 1.00 0.00 H new ATOM 454 N TYR A 43 2.211 -8.265 9.814 1.00 0.00 N ATOM 455 CA TYR A 43 2.725 -9.549 10.254 1.00 0.00 C ATOM 456 C TYR A 43 1.677 -10.632 10.007 1.00 0.00 C ATOM 457 O TYR A 43 0.896 -10.968 10.897 1.00 0.00 O ATOM 458 CB TYR A 43 3.099 -9.501 11.736 1.00 0.00 C ATOM 459 CG TYR A 43 3.917 -10.687 12.202 1.00 0.00 C ATOM 460 CD1 TYR A 43 3.312 -11.850 12.676 1.00 0.00 C ATOM 461 CD2 TYR A 43 5.304 -10.641 12.167 1.00 0.00 C ATOM 462 CE1 TYR A 43 4.071 -12.925 13.104 1.00 0.00 C ATOM 463 CE2 TYR A 43 6.065 -11.708 12.591 1.00 0.00 C ATOM 464 CZ TYR A 43 5.446 -12.846 13.057 1.00 0.00 C ATOM 465 OH TYR A 43 6.213 -13.907 13.484 1.00 0.00 O ATOM 0 H TYR A 43 1.280 -8.043 10.166 1.00 0.00 H new ATOM 0 HA TYR A 43 3.624 -9.783 9.684 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.660 -8.587 11.929 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.186 -9.446 12.329 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.234 -11.913 12.710 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.796 -9.752 11.800 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.590 -13.819 13.472 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.143 -11.652 12.558 1.00 0.00 H new ATOM 0 HH TYR A 43 7.162 -13.686 13.382 1.00 0.00 H new ATOM 475 N PRO A 44 1.624 -11.165 8.779 1.00 0.00 N ATOM 476 CA PRO A 44 0.651 -12.196 8.406 1.00 0.00 C ATOM 477 C PRO A 44 0.939 -13.533 9.075 1.00 0.00 C ATOM 478 O PRO A 44 2.093 -13.935 9.223 1.00 0.00 O ATOM 479 CB PRO A 44 0.811 -12.317 6.886 1.00 0.00 C ATOM 480 CG PRO A 44 1.602 -11.121 6.479 1.00 0.00 C ATOM 481 CD PRO A 44 2.484 -10.810 7.646 1.00 0.00 C ATOM 0 HA PRO A 44 -0.358 -11.929 8.720 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.325 -13.239 6.617 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.159 -12.336 6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.191 -11.326 5.585 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.949 -10.280 6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.403 -11.396 7.631 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.776 -9.760 7.669 1.00 0.00 H new ATOM 489 N MET A 45 -0.119 -14.212 9.478 1.00 0.00 N ATOM 490 CA MET A 45 0.006 -15.505 10.112 1.00 0.00 C ATOM 491 C MET A 45 -0.659 -16.582 9.261 1.00 0.00 C ATOM 492 O MET A 45 -0.505 -16.596 8.043 1.00 0.00 O ATOM 493 CB MET A 45 -0.600 -15.462 11.513 1.00 0.00 C ATOM 494 CG MET A 45 0.181 -14.601 12.493 1.00 0.00 C ATOM 495 SD MET A 45 -0.448 -14.728 14.178 1.00 0.00 S ATOM 496 CE MET A 45 -0.119 -16.454 14.534 1.00 0.00 C ATOM 0 H MET A 45 -1.079 -13.884 9.375 1.00 0.00 H new ATOM 0 HA MET A 45 1.063 -15.754 10.203 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.621 -15.085 11.446 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.660 -16.478 11.904 1.00 0.00 H new ATOM 0 HG2 MET A 45 1.230 -14.898 12.477 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.139 -13.561 12.171 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.286 -16.547 15.542 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.046 -17.023 14.462 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.603 -16.843 13.815 1.00 0.00 H new ATOM 506 N THR A 46 -1.415 -17.458 9.899 1.00 0.00 N ATOM 507 CA THR A 46 -1.962 -18.629 9.234 1.00 0.00 C ATOM 508 C THR A 46 -3.101 -18.280 8.276 1.00 0.00 C ATOM 509 O THR A 46 -3.484 -17.113 8.147 1.00 0.00 O ATOM 510 CB THR A 46 -2.475 -19.646 10.262 1.00 0.00 C ATOM 511 OG1 THR A 46 -3.629 -19.120 10.933 1.00 0.00 O ATOM 512 CG2 THR A 46 -1.399 -19.972 11.285 1.00 0.00 C ATOM 0 H THR A 46 -1.666 -17.380 10.885 1.00 0.00 H new ATOM 0 HA THR A 46 -1.146 -19.060 8.653 1.00 0.00 H new ATOM 0 HB THR A 46 -2.742 -20.561 9.733 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.954 -19.774 11.587 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.787 -20.695 12.003 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.531 -20.394 10.778 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.107 -19.062 11.808 1.00 0.00 H new ATOM 520 N ASP A 47 -3.658 -19.297 7.629 1.00 0.00 N ATOM 521 CA ASP A 47 -4.748 -19.109 6.676 1.00 0.00 C ATOM 522 C ASP A 47 -6.001 -18.598 7.382 1.00 0.00 C ATOM 523 O ASP A 47 -6.738 -17.765 6.844 1.00 0.00 O ATOM 524 CB ASP A 47 -5.054 -20.424 5.957 1.00 0.00 C ATOM 525 CG ASP A 47 -5.678 -21.457 6.873 1.00 0.00 C ATOM 526 OD1 ASP A 47 -5.045 -21.813 7.891 1.00 0.00 O ATOM 527 OD2 ASP A 47 -6.805 -21.902 6.588 1.00 0.00 O ATOM 0 H ASP A 47 -3.370 -20.268 7.748 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.436 -18.366 5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.728 -20.229 5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.133 -20.826 5.536 1.00 0.00 H new ATOM 532 N GLY A 48 -6.232 -19.093 8.595 1.00 0.00 N ATOM 533 CA GLY A 48 -7.361 -18.642 9.383 1.00 0.00 C ATOM 534 C GLY A 48 -7.245 -17.177 9.735 1.00 0.00 C ATOM 535 O GLY A 48 -8.228 -16.436 9.714 1.00 0.00 O ATOM 0 H GLY A 48 -5.653 -19.802 9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.284 -18.811 8.828 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.426 -19.232 10.297 1.00 0.00 H new ATOM 539 N GLN A 49 -6.030 -16.751 10.038 1.00 0.00 N ATOM 540 CA GLN A 49 -5.771 -15.353 10.323 1.00 0.00 C ATOM 541 C GLN A 49 -5.864 -14.544 9.040 1.00 0.00 C ATOM 542 O GLN A 49 -6.300 -13.397 9.048 1.00 0.00 O ATOM 543 CB GLN A 49 -4.391 -15.187 10.959 1.00 0.00 C ATOM 544 CG GLN A 49 -4.169 -16.055 12.192 1.00 0.00 C ATOM 545 CD GLN A 49 -4.940 -15.602 13.422 1.00 0.00 C ATOM 546 OE1 GLN A 49 -4.477 -15.772 14.545 1.00 0.00 O ATOM 547 NE2 GLN A 49 -6.122 -15.037 13.229 1.00 0.00 N ATOM 0 H GLN A 49 -5.209 -17.354 10.092 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.519 -14.989 11.028 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.629 -15.426 10.217 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.252 -14.141 11.233 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.454 -17.080 11.956 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.105 -16.066 12.428 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.478 -14.910 12.282 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.676 -14.728 14.028 1.00 0.00 H new ATOM 556 N LEU A 50 -5.466 -15.164 7.937 1.00 0.00 N ATOM 557 CA LEU A 50 -5.534 -14.531 6.631 1.00 0.00 C ATOM 558 C LEU A 50 -6.978 -14.173 6.290 1.00 0.00 C ATOM 559 O LEU A 50 -7.263 -13.025 5.970 1.00 0.00 O ATOM 560 CB LEU A 50 -4.926 -15.457 5.561 1.00 0.00 C ATOM 561 CG LEU A 50 -4.698 -14.848 4.165 1.00 0.00 C ATOM 562 CD1 LEU A 50 -5.994 -14.787 3.362 1.00 0.00 C ATOM 563 CD2 LEU A 50 -4.086 -13.460 4.283 1.00 0.00 C ATOM 0 H LEU A 50 -5.090 -16.112 7.924 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.954 -13.608 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.969 -15.823 5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.578 -16.324 5.451 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.004 -15.497 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.795 -14.352 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.393 -15.794 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.721 -14.172 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.932 -13.045 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.758 -12.813 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.129 -13.527 4.800 1.00 0.00 H new ATOM 575 N ARG A 51 -7.879 -15.148 6.381 1.00 0.00 N ATOM 576 CA ARG A 51 -9.280 -14.935 6.010 1.00 0.00 C ATOM 577 C ARG A 51 -9.967 -13.927 6.932 1.00 0.00 C ATOM 578 O ARG A 51 -10.506 -12.917 6.471 1.00 0.00 O ATOM 579 CB ARG A 51 -10.055 -16.262 6.010 1.00 0.00 C ATOM 580 CG ARG A 51 -9.923 -17.062 7.293 1.00 0.00 C ATOM 581 CD ARG A 51 -10.867 -18.252 7.314 1.00 0.00 C ATOM 582 NE ARG A 51 -12.267 -17.837 7.392 1.00 0.00 N ATOM 583 CZ ARG A 51 -13.208 -18.495 8.069 1.00 0.00 C ATOM 584 NH1 ARG A 51 -12.911 -19.604 8.731 1.00 0.00 N ATOM 585 NH2 ARG A 51 -14.451 -18.039 8.086 1.00 0.00 N ATOM 0 H ARG A 51 -7.667 -16.091 6.707 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.283 -14.523 5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.110 -16.053 5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.707 -16.873 5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.896 -17.411 7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.131 -16.417 8.147 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.716 -18.851 6.416 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.629 -18.889 8.166 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.541 -16.989 6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.956 -19.961 8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.638 -20.101 9.246 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.688 -17.185 7.581 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.172 -18.542 8.604 1.00 0.00 H new ATOM 599 N SER A 52 -9.916 -14.191 8.232 1.00 0.00 N ATOM 600 CA SER A 52 -10.621 -13.371 9.204 1.00 0.00 C ATOM 601 C SER A 52 -10.100 -11.941 9.207 1.00 0.00 C ATOM 602 O SER A 52 -10.872 -10.986 9.092 1.00 0.00 O ATOM 603 CB SER A 52 -10.489 -13.992 10.592 1.00 0.00 C ATOM 604 OG SER A 52 -10.999 -15.317 10.602 1.00 0.00 O ATOM 0 H SER A 52 -9.393 -14.968 8.636 1.00 0.00 H new ATOM 0 HA SER A 52 -11.674 -13.335 8.924 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.442 -13.998 10.894 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.027 -13.385 11.320 1.00 0.00 H new ATOM 0 HG SER A 52 -10.291 -15.942 10.339 1.00 0.00 H new ATOM 610 N LYS A 53 -8.786 -11.791 9.313 1.00 0.00 N ATOM 611 CA LYS A 53 -8.192 -10.470 9.375 1.00 0.00 C ATOM 612 C LYS A 53 -8.351 -9.738 8.044 1.00 0.00 C ATOM 613 O LYS A 53 -8.421 -8.511 8.014 1.00 0.00 O ATOM 614 CB LYS A 53 -6.718 -10.566 9.773 1.00 0.00 C ATOM 615 CG LYS A 53 -6.245 -9.397 10.619 1.00 0.00 C ATOM 616 CD LYS A 53 -7.149 -9.184 11.827 1.00 0.00 C ATOM 617 CE LYS A 53 -7.184 -10.398 12.745 1.00 0.00 C ATOM 618 NZ LYS A 53 -5.874 -10.639 13.404 1.00 0.00 N ATOM 0 H LYS A 53 -8.120 -12.562 9.357 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.716 -9.893 10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.558 -11.492 10.324 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.109 -10.622 8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.224 -9.578 10.954 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.226 -8.491 10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.802 -8.317 12.389 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.160 -8.960 11.486 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.951 -10.254 13.506 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.467 -11.279 12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.966 -11.422 14.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.164 -10.885 12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.574 -9.779 13.906 1.00 0.00 H new ATOM 632 N ARG A 54 -8.422 -10.486 6.945 1.00 0.00 N ATOM 633 CA ARG A 54 -8.600 -9.884 5.629 1.00 0.00 C ATOM 634 C ARG A 54 -9.934 -9.163 5.561 1.00 0.00 C ATOM 635 O ARG A 54 -10.035 -8.084 4.982 1.00 0.00 O ATOM 636 CB ARG A 54 -8.548 -10.939 4.522 1.00 0.00 C ATOM 637 CG ARG A 54 -8.221 -10.383 3.143 1.00 0.00 C ATOM 638 CD ARG A 54 -6.730 -10.093 2.983 1.00 0.00 C ATOM 639 NE ARG A 54 -6.269 -8.988 3.832 1.00 0.00 N ATOM 640 CZ ARG A 54 -5.534 -9.147 4.937 1.00 0.00 C ATOM 641 NH1 ARG A 54 -5.217 -10.364 5.363 1.00 0.00 N ATOM 642 NH2 ARG A 54 -5.131 -8.089 5.625 1.00 0.00 N ATOM 0 H ARG A 54 -8.359 -11.504 6.941 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.785 -9.176 5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.802 -11.689 4.785 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.510 -11.449 4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.536 -11.096 2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.788 -9.467 2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.162 -10.992 3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.521 -9.855 1.940 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.526 -8.039 3.562 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.535 -11.184 4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.656 -10.479 6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.382 -7.151 5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.570 -8.212 6.468 1.00 0.00 H new ATOM 656 N ASP A 55 -10.954 -9.768 6.159 1.00 0.00 N ATOM 657 CA ASP A 55 -12.280 -9.186 6.171 1.00 0.00 C ATOM 658 C ASP A 55 -12.293 -7.921 7.021 1.00 0.00 C ATOM 659 O ASP A 55 -12.782 -6.879 6.585 1.00 0.00 O ATOM 660 CB ASP A 55 -13.274 -10.212 6.702 1.00 0.00 C ATOM 661 CG ASP A 55 -14.713 -9.745 6.597 1.00 0.00 C ATOM 662 OD1 ASP A 55 -15.136 -9.369 5.484 1.00 0.00 O ATOM 663 OD2 ASP A 55 -15.438 -9.788 7.611 1.00 0.00 O ATOM 0 H ASP A 55 -10.882 -10.664 6.642 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.568 -8.909 5.157 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.158 -11.144 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.043 -10.430 7.745 1.00 0.00 H new ATOM 668 N GLU A 56 -11.731 -8.018 8.225 1.00 0.00 N ATOM 669 CA GLU A 56 -11.563 -6.854 9.101 1.00 0.00 C ATOM 670 C GLU A 56 -10.889 -5.706 8.360 1.00 0.00 C ATOM 671 O GLU A 56 -11.384 -4.578 8.351 1.00 0.00 O ATOM 672 CB GLU A 56 -10.710 -7.213 10.318 1.00 0.00 C ATOM 673 CG GLU A 56 -11.501 -7.691 11.534 1.00 0.00 C ATOM 674 CD GLU A 56 -12.322 -8.936 11.279 1.00 0.00 C ATOM 675 OE1 GLU A 56 -13.383 -8.838 10.634 1.00 0.00 O ATOM 676 OE2 GLU A 56 -11.928 -10.023 11.753 1.00 0.00 O ATOM 0 H GLU A 56 -11.383 -8.892 8.619 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.557 -6.545 9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.003 -7.992 10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.123 -6.340 10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.808 -7.886 12.353 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.164 -6.891 11.861 1.00 0.00 H new ATOM 683 N PHE A 57 -9.754 -6.004 7.747 1.00 0.00 N ATOM 684 CA PHE A 57 -9.031 -5.019 6.950 1.00 0.00 C ATOM 685 C PHE A 57 -9.877 -4.504 5.799 1.00 0.00 C ATOM 686 O PHE A 57 -9.843 -3.320 5.484 1.00 0.00 O ATOM 687 CB PHE A 57 -7.742 -5.612 6.402 1.00 0.00 C ATOM 688 CG PHE A 57 -6.575 -5.494 7.345 1.00 0.00 C ATOM 689 CD1 PHE A 57 -5.800 -4.345 7.355 1.00 0.00 C ATOM 690 CD2 PHE A 57 -6.249 -6.523 8.213 1.00 0.00 C ATOM 691 CE1 PHE A 57 -4.726 -4.225 8.212 1.00 0.00 C ATOM 692 CE2 PHE A 57 -5.175 -6.408 9.072 1.00 0.00 C ATOM 693 CZ PHE A 57 -4.412 -5.259 9.073 1.00 0.00 C ATOM 0 H PHE A 57 -9.311 -6.922 7.785 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.795 -4.183 7.609 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.906 -6.664 6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.493 -5.114 5.465 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.040 -3.534 6.684 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.842 -7.426 8.218 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.131 -3.324 8.210 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.932 -7.218 9.744 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.571 -5.168 9.745 1.00 0.00 H new ATOM 703 N TRP A 58 -10.622 -5.398 5.166 1.00 0.00 N ATOM 704 CA TRP A 58 -11.514 -5.020 4.067 1.00 0.00 C ATOM 705 C TRP A 58 -12.546 -3.978 4.491 1.00 0.00 C ATOM 706 O TRP A 58 -13.060 -3.238 3.658 1.00 0.00 O ATOM 707 CB TRP A 58 -12.222 -6.238 3.476 1.00 0.00 C ATOM 708 CG TRP A 58 -11.667 -6.645 2.148 1.00 0.00 C ATOM 709 CD1 TRP A 58 -11.339 -7.903 1.745 1.00 0.00 C ATOM 710 CD2 TRP A 58 -11.362 -5.779 1.049 1.00 0.00 C ATOM 711 NE1 TRP A 58 -10.863 -7.876 0.458 1.00 0.00 N ATOM 712 CE2 TRP A 58 -10.865 -6.582 0.010 1.00 0.00 C ATOM 713 CE3 TRP A 58 -11.468 -4.400 0.844 1.00 0.00 C ATOM 714 CZ2 TRP A 58 -10.471 -6.053 -1.217 1.00 0.00 C ATOM 715 CZ3 TRP A 58 -11.077 -3.875 -0.372 1.00 0.00 C ATOM 716 CH2 TRP A 58 -10.584 -4.700 -1.389 1.00 0.00 C ATOM 0 H TRP A 58 -10.630 -6.393 5.391 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.880 -4.574 3.301 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -12.138 -7.074 4.171 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -13.284 -6.018 3.369 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -11.439 -8.792 2.350 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -10.557 -8.688 -0.078 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -11.849 -3.756 1.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -10.090 -6.687 -2.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -11.153 -2.811 -0.541 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.286 -4.260 -2.329 1.00 0.00 H new ATOM 727 N ASP A 59 -12.863 -3.927 5.775 1.00 0.00 N ATOM 728 CA ASP A 59 -13.732 -2.874 6.294 1.00 0.00 C ATOM 729 C ASP A 59 -12.993 -1.544 6.359 1.00 0.00 C ATOM 730 O ASP A 59 -13.583 -0.479 6.178 1.00 0.00 O ATOM 731 CB ASP A 59 -14.239 -3.225 7.683 1.00 0.00 C ATOM 732 CG ASP A 59 -15.232 -4.365 7.680 1.00 0.00 C ATOM 733 OD1 ASP A 59 -16.434 -4.107 7.467 1.00 0.00 O ATOM 734 OD2 ASP A 59 -14.823 -5.519 7.900 1.00 0.00 O ATOM 0 H ASP A 59 -12.537 -4.594 6.474 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.578 -2.785 5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.392 -3.490 8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.706 -2.345 8.126 1.00 0.00 H new ATOM 739 N THR A 60 -11.698 -1.608 6.612 1.00 0.00 N ATOM 740 CA THR A 60 -10.904 -0.412 6.824 1.00 0.00 C ATOM 741 C THR A 60 -10.277 0.078 5.518 1.00 0.00 C ATOM 742 O THR A 60 -9.960 1.257 5.381 1.00 0.00 O ATOM 743 CB THR A 60 -9.797 -0.684 7.857 1.00 0.00 C ATOM 744 OG1 THR A 60 -10.350 -1.378 8.985 1.00 0.00 O ATOM 745 CG2 THR A 60 -9.146 0.611 8.327 1.00 0.00 C ATOM 0 H THR A 60 -11.172 -2.480 6.676 1.00 0.00 H new ATOM 0 HA THR A 60 -11.569 0.366 7.199 1.00 0.00 H new ATOM 0 HB THR A 60 -9.032 -1.297 7.380 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.643 -1.552 9.641 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.368 0.384 9.056 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.704 1.127 7.474 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.899 1.251 8.787 1.00 0.00 H new ATOM 753 N ALA A 61 -10.120 -0.831 4.560 1.00 0.00 N ATOM 754 CA ALA A 61 -9.440 -0.520 3.303 1.00 0.00 C ATOM 755 C ALA A 61 -10.134 0.611 2.523 1.00 0.00 C ATOM 756 O ALA A 61 -9.574 1.699 2.403 1.00 0.00 O ATOM 757 CB ALA A 61 -9.275 -1.775 2.450 1.00 0.00 C ATOM 0 H ALA A 61 -10.455 -1.792 4.629 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.446 -0.151 3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.767 -1.519 1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.684 -2.511 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.256 -2.193 2.224 1.00 0.00 H new ATOM 763 N PRO A 62 -11.364 0.409 2.002 1.00 0.00 N ATOM 764 CA PRO A 62 -12.016 1.418 1.166 1.00 0.00 C ATOM 765 C PRO A 62 -12.611 2.566 1.990 1.00 0.00 C ATOM 766 O PRO A 62 -12.575 3.728 1.576 1.00 0.00 O ATOM 767 CB PRO A 62 -13.093 0.610 0.449 1.00 0.00 C ATOM 768 CG PRO A 62 -13.477 -0.445 1.428 1.00 0.00 C ATOM 769 CD PRO A 62 -12.225 -0.778 2.193 1.00 0.00 C ATOM 0 HA PRO A 62 -11.326 1.918 0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.946 1.234 0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -12.714 0.175 -0.476 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -14.260 -0.089 2.098 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.869 -1.326 0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.436 -0.953 3.248 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.751 -1.681 1.809 1.00 0.00 H new ATOM 822 N GLY A 66 -14.837 7.878 -2.507 1.00 0.00 N ATOM 823 CA GLY A 66 -14.597 9.242 -2.916 1.00 0.00 C ATOM 824 C GLY A 66 -15.155 9.549 -4.288 1.00 0.00 C ATOM 825 O GLY A 66 -16.259 9.120 -4.630 1.00 0.00 O ATOM 0 HA2 GLY A 66 -15.043 9.919 -2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -13.524 9.434 -2.914 1.00 0.00 H new ATOM 829 N ARG A 67 -14.386 10.284 -5.073 1.00 0.00 N ATOM 830 CA ARG A 67 -14.795 10.678 -6.410 1.00 0.00 C ATOM 831 C ARG A 67 -14.547 9.535 -7.395 1.00 0.00 C ATOM 832 O ARG A 67 -13.408 9.153 -7.638 1.00 0.00 O ATOM 833 CB ARG A 67 -14.003 11.917 -6.844 1.00 0.00 C ATOM 834 CG ARG A 67 -14.691 12.763 -7.903 1.00 0.00 C ATOM 835 CD ARG A 67 -15.796 13.611 -7.295 1.00 0.00 C ATOM 836 NE ARG A 67 -16.510 14.409 -8.295 1.00 0.00 N ATOM 837 CZ ARG A 67 -16.271 15.703 -8.534 1.00 0.00 C ATOM 838 NH1 ARG A 67 -15.265 16.325 -7.934 1.00 0.00 N ATOM 839 NH2 ARG A 67 -17.028 16.370 -9.395 1.00 0.00 N ATOM 0 H ARG A 67 -13.463 10.624 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 67 -15.860 10.912 -6.402 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -13.813 12.537 -5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -13.033 11.598 -7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -13.959 13.408 -8.389 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.108 12.116 -8.675 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.505 12.962 -6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -15.368 14.275 -6.544 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.236 13.948 -8.844 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -14.666 15.816 -7.284 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -15.090 17.312 -8.123 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -17.793 15.896 -9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -16.845 17.357 -9.577 1.00 0.00 H new ATOM 853 N LYS A 68 -15.618 8.964 -7.925 1.00 0.00 N ATOM 854 CA LYS A 68 -15.515 7.939 -8.953 1.00 0.00 C ATOM 855 C LYS A 68 -14.832 8.496 -10.200 1.00 0.00 C ATOM 856 O LYS A 68 -14.128 7.779 -10.908 1.00 0.00 O ATOM 857 CB LYS A 68 -16.904 7.427 -9.327 1.00 0.00 C ATOM 858 CG LYS A 68 -16.864 6.098 -10.042 1.00 0.00 C ATOM 859 CD LYS A 68 -16.352 5.022 -9.111 1.00 0.00 C ATOM 860 CE LYS A 68 -15.833 3.813 -9.873 1.00 0.00 C ATOM 861 NZ LYS A 68 -16.869 3.217 -10.754 1.00 0.00 N ATOM 0 H LYS A 68 -16.575 9.195 -7.658 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.918 7.118 -8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.506 7.331 -8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.398 8.162 -9.963 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.861 5.838 -10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -16.220 6.167 -10.919 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.555 5.429 -8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.153 4.712 -8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.973 4.107 -10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.485 3.061 -9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.498 2.348 -11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.714 2.990 -10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.122 3.896 -11.500 1.00 0.00 H new ATOM 875 N GLU A 69 -15.059 9.777 -10.462 1.00 0.00 N ATOM 876 CA GLU A 69 -14.460 10.460 -11.608 1.00 0.00 C ATOM 877 C GLU A 69 -12.935 10.365 -11.586 1.00 0.00 C ATOM 878 O GLU A 69 -12.306 10.057 -12.599 1.00 0.00 O ATOM 879 CB GLU A 69 -14.894 11.924 -11.629 1.00 0.00 C ATOM 880 CG GLU A 69 -16.370 12.092 -11.918 1.00 0.00 C ATOM 881 CD GLU A 69 -16.707 11.941 -13.384 1.00 0.00 C ATOM 882 OE1 GLU A 69 -16.560 10.827 -13.927 1.00 0.00 O ATOM 883 OE2 GLU A 69 -17.136 12.936 -14.002 1.00 0.00 O ATOM 0 H GLU A 69 -15.660 10.372 -9.891 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.811 9.964 -12.513 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.662 12.381 -10.667 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.317 12.459 -12.383 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.933 11.356 -11.344 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.692 13.076 -11.577 1.00 0.00 H new ATOM 890 N ILE A 70 -12.348 10.602 -10.419 1.00 0.00 N ATOM 891 CA ILE A 70 -10.897 10.596 -10.276 1.00 0.00 C ATOM 892 C ILE A 70 -10.351 9.167 -10.234 1.00 0.00 C ATOM 893 O ILE A 70 -9.170 8.941 -10.482 1.00 0.00 O ATOM 894 CB ILE A 70 -10.426 11.347 -9.015 1.00 0.00 C ATOM 895 CG1 ILE A 70 -8.907 11.521 -9.069 1.00 0.00 C ATOM 896 CG2 ILE A 70 -10.843 10.603 -7.752 1.00 0.00 C ATOM 897 CD1 ILE A 70 -8.252 11.625 -7.714 1.00 0.00 C ATOM 0 H ILE A 70 -12.855 10.801 -9.557 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.507 11.114 -11.152 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.898 12.329 -8.987 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.474 10.677 -9.607 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.675 12.418 -9.643 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.499 11.153 -6.876 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.929 10.516 -7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.399 9.607 -7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.176 11.746 -7.838 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.655 12.486 -7.180 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.451 10.718 -7.143 1.00 0.00 H new ATOM 909 N TRP A 71 -11.217 8.216 -9.894 1.00 0.00 N ATOM 910 CA TRP A 71 -10.826 6.813 -9.739 1.00 0.00 C ATOM 911 C TRP A 71 -9.979 6.342 -10.919 1.00 0.00 C ATOM 912 O TRP A 71 -8.964 5.666 -10.748 1.00 0.00 O ATOM 913 CB TRP A 71 -12.080 5.943 -9.648 1.00 0.00 C ATOM 914 CG TRP A 71 -12.082 4.933 -8.535 1.00 0.00 C ATOM 915 CD1 TRP A 71 -13.155 4.598 -7.761 1.00 0.00 C ATOM 916 CD2 TRP A 71 -10.986 4.130 -8.064 1.00 0.00 C ATOM 917 NE1 TRP A 71 -12.802 3.636 -6.853 1.00 0.00 N ATOM 918 CE2 TRP A 71 -11.479 3.339 -7.013 1.00 0.00 C ATOM 919 CE3 TRP A 71 -9.642 3.999 -8.425 1.00 0.00 C ATOM 920 CZ2 TRP A 71 -10.685 2.435 -6.322 1.00 0.00 C ATOM 921 CZ3 TRP A 71 -8.850 3.099 -7.736 1.00 0.00 C ATOM 922 CH2 TRP A 71 -9.372 2.328 -6.694 1.00 0.00 C ATOM 0 H TRP A 71 -12.206 8.392 -9.718 1.00 0.00 H new ATOM 0 HA TRP A 71 -10.234 6.724 -8.828 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -12.946 6.594 -9.527 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -12.206 5.417 -10.594 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.141 5.030 -7.852 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.426 3.210 -6.168 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.229 4.591 -9.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.089 1.837 -5.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -7.810 2.990 -8.008 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -8.728 1.635 -6.173 1.00 0.00 H new ATOM 933 N ASP A 72 -10.393 6.725 -12.117 1.00 0.00 N ATOM 934 CA ASP A 72 -9.704 6.322 -13.336 1.00 0.00 C ATOM 935 C ASP A 72 -8.307 6.919 -13.422 1.00 0.00 C ATOM 936 O ASP A 72 -7.427 6.354 -14.073 1.00 0.00 O ATOM 937 CB ASP A 72 -10.511 6.720 -14.564 1.00 0.00 C ATOM 938 CG ASP A 72 -11.704 5.812 -14.775 1.00 0.00 C ATOM 939 OD1 ASP A 72 -11.538 4.733 -15.383 1.00 0.00 O ATOM 940 OD2 ASP A 72 -12.814 6.162 -14.319 1.00 0.00 O ATOM 0 H ASP A 72 -11.208 7.318 -12.273 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.605 5.237 -13.305 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.853 7.749 -14.456 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.870 6.688 -15.445 1.00 0.00 H new ATOM 945 N ALA A 73 -8.092 8.047 -12.762 1.00 0.00 N ATOM 946 CA ALA A 73 -6.788 8.679 -12.772 1.00 0.00 C ATOM 947 C ALA A 73 -5.867 7.958 -11.803 1.00 0.00 C ATOM 948 O ALA A 73 -4.658 7.883 -12.005 1.00 0.00 O ATOM 949 CB ALA A 73 -6.906 10.149 -12.408 1.00 0.00 C ATOM 0 H ALA A 73 -8.801 8.538 -12.217 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.367 8.614 -13.775 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.917 10.607 -12.421 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.548 10.652 -13.130 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.337 10.244 -11.411 1.00 0.00 H new ATOM 955 N LEU A 74 -6.467 7.398 -10.762 1.00 0.00 N ATOM 956 CA LEU A 74 -5.719 6.687 -9.739 1.00 0.00 C ATOM 957 C LEU A 74 -5.171 5.381 -10.291 1.00 0.00 C ATOM 958 O LEU A 74 -3.977 5.095 -10.189 1.00 0.00 O ATOM 959 CB LEU A 74 -6.606 6.411 -8.528 1.00 0.00 C ATOM 960 CG LEU A 74 -7.297 7.633 -7.944 1.00 0.00 C ATOM 961 CD1 LEU A 74 -7.872 7.293 -6.589 1.00 0.00 C ATOM 962 CD2 LEU A 74 -6.324 8.790 -7.852 1.00 0.00 C ATOM 0 H LEU A 74 -7.474 7.424 -10.605 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.883 7.313 -9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.367 5.684 -8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.999 5.949 -7.750 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.114 7.935 -8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.367 8.171 -6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.595 6.484 -6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.070 6.978 -5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.831 9.659 -7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.488 8.512 -7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.952 9.033 -8.847 1.00 0.00 H new ATOM 974 N LYS A 75 -6.052 4.605 -10.897 1.00 0.00 N ATOM 975 CA LYS A 75 -5.674 3.340 -11.505 1.00 0.00 C ATOM 976 C LYS A 75 -4.722 3.564 -12.683 1.00 0.00 C ATOM 977 O LYS A 75 -3.842 2.748 -12.941 1.00 0.00 O ATOM 978 CB LYS A 75 -6.931 2.593 -11.950 1.00 0.00 C ATOM 979 CG LYS A 75 -7.889 3.470 -12.720 1.00 0.00 C ATOM 980 CD LYS A 75 -9.239 2.803 -12.911 1.00 0.00 C ATOM 981 CE LYS A 75 -9.878 2.413 -11.590 1.00 0.00 C ATOM 982 NZ LYS A 75 -11.304 2.020 -11.760 1.00 0.00 N ATOM 0 H LYS A 75 -7.043 4.831 -10.982 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.146 2.735 -10.768 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.644 1.744 -12.570 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.438 2.190 -11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.022 4.414 -12.191 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.461 3.708 -13.694 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.904 3.479 -13.449 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.119 1.915 -13.531 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.323 1.585 -11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.812 3.249 -10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.705 1.761 -10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.839 2.818 -12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.365 1.206 -12.405 1.00 0.00 H new ATOM 996 N ALA A 76 -4.894 4.683 -13.390 1.00 0.00 N ATOM 997 CA ALA A 76 -4.000 5.025 -14.490 1.00 0.00 C ATOM 998 C ALA A 76 -2.618 5.411 -13.970 1.00 0.00 C ATOM 999 O ALA A 76 -1.602 5.113 -14.600 1.00 0.00 O ATOM 1000 CB ALA A 76 -4.586 6.152 -15.326 1.00 0.00 C ATOM 0 H ALA A 76 -5.638 5.360 -13.220 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.892 4.144 -15.123 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.904 6.393 -16.142 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.546 5.839 -15.736 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.728 7.033 -14.700 1.00 0.00 H new ATOM 1006 N ALA A 77 -2.580 6.072 -12.819 1.00 0.00 N ATOM 1007 CA ALA A 77 -1.312 6.427 -12.201 1.00 0.00 C ATOM 1008 C ALA A 77 -0.600 5.188 -11.704 1.00 0.00 C ATOM 1009 O ALA A 77 0.597 5.022 -11.927 1.00 0.00 O ATOM 1010 CB ALA A 77 -1.511 7.397 -11.054 1.00 0.00 C ATOM 0 H ALA A 77 -3.406 6.370 -12.300 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.700 6.913 -12.961 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.545 7.643 -10.613 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.983 8.307 -11.425 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.149 6.940 -10.298 1.00 0.00 H new ATOM 1016 N ALA A 78 -1.343 4.336 -11.014 1.00 0.00 N ATOM 1017 CA ALA A 78 -0.835 3.038 -10.602 1.00 0.00 C ATOM 1018 C ALA A 78 -0.268 2.287 -11.796 1.00 0.00 C ATOM 1019 O ALA A 78 0.748 1.614 -11.681 1.00 0.00 O ATOM 1020 CB ALA A 78 -1.931 2.229 -9.934 1.00 0.00 C ATOM 0 H ALA A 78 -2.304 4.522 -10.727 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.033 3.192 -9.880 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.535 1.260 -9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.294 2.763 -9.056 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.753 2.082 -10.634 1.00 0.00 H new ATOM 1026 N HIS A 79 -0.908 2.457 -12.950 1.00 0.00 N ATOM 1027 CA HIS A 79 -0.467 1.805 -14.176 1.00 0.00 C ATOM 1028 C HIS A 79 0.923 2.289 -14.562 1.00 0.00 C ATOM 1029 O HIS A 79 1.802 1.496 -14.895 1.00 0.00 O ATOM 1030 CB HIS A 79 -1.447 2.090 -15.318 1.00 0.00 C ATOM 1031 CG HIS A 79 -1.040 1.468 -16.618 1.00 0.00 C ATOM 1032 ND1 HIS A 79 -1.412 0.197 -16.991 1.00 0.00 N ATOM 1033 CD2 HIS A 79 -0.290 1.955 -17.635 1.00 0.00 C ATOM 1034 CE1 HIS A 79 -0.907 -0.075 -18.179 1.00 0.00 C ATOM 1035 NE2 HIS A 79 -0.224 0.976 -18.595 1.00 0.00 N ATOM 0 H HIS A 79 -1.736 3.043 -13.060 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.434 0.730 -13.998 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.434 1.721 -15.040 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.535 3.168 -15.451 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.170 2.931 -17.682 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -1.031 -1.001 -18.720 1.00 0.00 H new ATOM 0 HE2 HIS A 79 0.271 1.048 -19.484 1.00 0.00 H new ATOM 1044 N ALA A 80 1.109 3.599 -14.527 1.00 0.00 N ATOM 1045 CA ALA A 80 2.391 4.190 -14.849 1.00 0.00 C ATOM 1046 C ALA A 80 3.433 3.799 -13.816 1.00 0.00 C ATOM 1047 O ALA A 80 4.512 3.313 -14.163 1.00 0.00 O ATOM 1048 CB ALA A 80 2.269 5.696 -14.937 1.00 0.00 C ATOM 0 H ALA A 80 0.384 4.272 -14.278 1.00 0.00 H new ATOM 0 HA ALA A 80 2.712 3.812 -15.819 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.241 6.126 -15.180 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.552 5.958 -15.715 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.927 6.090 -13.980 1.00 0.00 H new ATOM 1054 N PHE A 81 3.098 4.004 -12.543 1.00 0.00 N ATOM 1055 CA PHE A 81 3.985 3.639 -11.447 1.00 0.00 C ATOM 1056 C PHE A 81 4.401 2.163 -11.547 1.00 0.00 C ATOM 1057 O PHE A 81 5.539 1.811 -11.220 1.00 0.00 O ATOM 1058 CB PHE A 81 3.329 3.967 -10.092 1.00 0.00 C ATOM 1059 CG PHE A 81 3.771 3.084 -8.950 1.00 0.00 C ATOM 1060 CD1 PHE A 81 5.103 2.997 -8.592 1.00 0.00 C ATOM 1061 CD2 PHE A 81 2.848 2.340 -8.243 1.00 0.00 C ATOM 1062 CE1 PHE A 81 5.506 2.178 -7.550 1.00 0.00 C ATOM 1063 CE2 PHE A 81 3.240 1.523 -7.199 1.00 0.00 C ATOM 1064 CZ PHE A 81 4.571 1.440 -6.855 1.00 0.00 C ATOM 0 H PHE A 81 2.216 4.422 -12.248 1.00 0.00 H new ATOM 0 HA PHE A 81 4.897 4.232 -11.521 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.549 5.004 -9.838 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.247 3.887 -10.198 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.839 3.575 -9.131 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.803 2.397 -8.510 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.551 2.118 -7.282 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.504 0.951 -6.654 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.882 0.799 -6.043 1.00 0.00 H new ATOM 1074 N GLU A 82 3.490 1.312 -12.024 1.00 0.00 N ATOM 1075 CA GLU A 82 3.796 -0.096 -12.263 1.00 0.00 C ATOM 1076 C GLU A 82 5.054 -0.258 -13.105 1.00 0.00 C ATOM 1077 O GLU A 82 5.952 -1.029 -12.760 1.00 0.00 O ATOM 1078 CB GLU A 82 2.645 -0.794 -12.990 1.00 0.00 C ATOM 1079 CG GLU A 82 1.500 -1.252 -12.105 1.00 0.00 C ATOM 1080 CD GLU A 82 0.441 -1.993 -12.899 1.00 0.00 C ATOM 1081 OE1 GLU A 82 0.692 -3.155 -13.292 1.00 0.00 O ATOM 1082 OE2 GLU A 82 -0.638 -1.421 -13.159 1.00 0.00 O ATOM 0 H GLU A 82 2.532 1.577 -12.252 1.00 0.00 H new ATOM 0 HA GLU A 82 3.949 -0.550 -11.284 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.249 -0.115 -13.745 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.043 -1.661 -13.518 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.885 -1.900 -11.318 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.050 -0.388 -11.615 1.00 0.00 H new ATOM 1089 N SER A 83 5.119 0.480 -14.206 1.00 0.00 N ATOM 1090 CA SER A 83 6.199 0.311 -15.160 1.00 0.00 C ATOM 1091 C SER A 83 7.493 0.947 -14.666 1.00 0.00 C ATOM 1092 O SER A 83 8.566 0.559 -15.127 1.00 0.00 O ATOM 1093 CB SER A 83 5.795 0.925 -16.494 1.00 0.00 C ATOM 1094 OG SER A 83 4.529 0.442 -16.910 1.00 0.00 O ATOM 0 H SER A 83 4.438 1.197 -14.457 1.00 0.00 H new ATOM 0 HA SER A 83 6.382 -0.757 -15.281 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.763 2.011 -16.404 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.545 0.689 -17.249 1.00 0.00 H new ATOM 0 HG SER A 83 4.289 0.851 -17.768 1.00 0.00 H new ATOM 1100 N ASN A 84 7.359 1.877 -13.700 1.00 0.00 N ATOM 1101 CA ASN A 84 8.477 2.628 -13.078 1.00 0.00 C ATOM 1102 C ASN A 84 8.078 4.089 -12.889 1.00 0.00 C ATOM 1103 O ASN A 84 8.680 4.812 -12.094 1.00 0.00 O ATOM 1104 CB ASN A 84 9.770 2.598 -13.915 1.00 0.00 C ATOM 1105 CG ASN A 84 10.953 3.231 -13.205 1.00 0.00 C ATOM 1106 OD1 ASN A 84 11.649 2.570 -12.429 1.00 0.00 O ATOM 1107 ND2 ASN A 84 11.210 4.502 -13.480 1.00 0.00 N ATOM 0 H ASN A 84 6.449 2.136 -13.318 1.00 0.00 H new ATOM 0 HA ASN A 84 8.677 2.138 -12.125 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.012 1.564 -14.162 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.598 3.119 -14.857 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.007 4.967 -13.045 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.611 5.015 -14.127 1.00 0.00 H new ATOM 1114 N ASP A 85 7.033 4.502 -13.597 1.00 0.00 N ATOM 1115 CA ASP A 85 6.726 5.917 -13.774 1.00 0.00 C ATOM 1116 C ASP A 85 6.197 6.577 -12.507 1.00 0.00 C ATOM 1117 O ASP A 85 4.993 6.595 -12.246 1.00 0.00 O ATOM 1118 CB ASP A 85 5.718 6.095 -14.903 1.00 0.00 C ATOM 1119 CG ASP A 85 6.253 6.986 -15.998 1.00 0.00 C ATOM 1120 OD1 ASP A 85 6.265 8.218 -15.815 1.00 0.00 O ATOM 1121 OD2 ASP A 85 6.683 6.457 -17.049 1.00 0.00 O ATOM 0 H ASP A 85 6.379 3.872 -14.061 1.00 0.00 H new ATOM 0 HA ASP A 85 7.665 6.411 -14.024 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.463 5.120 -15.320 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.798 6.522 -14.504 1.00 0.00 H new ATOM 1126 N HIS A 86 7.119 7.117 -11.722 1.00 0.00 N ATOM 1127 CA HIS A 86 6.768 7.946 -10.583 1.00 0.00 C ATOM 1128 C HIS A 86 6.211 9.269 -11.086 1.00 0.00 C ATOM 1129 O HIS A 86 5.169 9.728 -10.628 1.00 0.00 O ATOM 1130 CB HIS A 86 8.003 8.191 -9.704 1.00 0.00 C ATOM 1131 CG HIS A 86 7.766 9.084 -8.517 1.00 0.00 C ATOM 1132 ND1 HIS A 86 8.405 10.292 -8.348 1.00 0.00 N ATOM 1133 CD2 HIS A 86 6.970 8.930 -7.430 1.00 0.00 C ATOM 1134 CE1 HIS A 86 8.017 10.844 -7.212 1.00 0.00 C ATOM 1135 NE2 HIS A 86 7.144 10.038 -6.635 1.00 0.00 N ATOM 0 H HIS A 86 8.122 6.993 -11.857 1.00 0.00 H new ATOM 0 HA HIS A 86 6.014 7.438 -9.981 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.375 7.230 -9.349 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.788 8.629 -10.320 1.00 0.00 H new ATOM 0 HD2 HIS A 86 6.320 8.092 -7.227 1.00 0.00 H new ATOM 0 HE1 HIS A 86 8.356 11.792 -6.822 1.00 0.00 H new ATOM 0 HE2 HIS A 86 6.676 10.210 -5.745 1.00 0.00 H new ATOM 1144 N GLU A 87 6.892 9.838 -12.074 1.00 0.00 N ATOM 1145 CA GLU A 87 6.583 11.173 -12.563 1.00 0.00 C ATOM 1146 C GLU A 87 5.182 11.245 -13.161 1.00 0.00 C ATOM 1147 O GLU A 87 4.421 12.162 -12.841 1.00 0.00 O ATOM 1148 CB GLU A 87 7.636 11.659 -13.576 1.00 0.00 C ATOM 1149 CG GLU A 87 8.080 10.623 -14.599 1.00 0.00 C ATOM 1150 CD GLU A 87 9.101 9.645 -14.052 1.00 0.00 C ATOM 1151 OE1 GLU A 87 10.297 9.987 -14.024 1.00 0.00 O ATOM 1152 OE2 GLU A 87 8.713 8.530 -13.650 1.00 0.00 O ATOM 0 H GLU A 87 7.670 9.388 -12.556 1.00 0.00 H new ATOM 0 HA GLU A 87 6.610 11.842 -11.703 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.234 12.522 -14.108 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.513 12.003 -13.027 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.208 10.070 -14.949 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.502 11.134 -15.464 1.00 0.00 H new ATOM 1159 N LEU A 88 4.835 10.278 -14.012 1.00 0.00 N ATOM 1160 CA LEU A 88 3.497 10.228 -14.600 1.00 0.00 C ATOM 1161 C LEU A 88 2.433 10.245 -13.521 1.00 0.00 C ATOM 1162 O LEU A 88 1.569 11.119 -13.491 1.00 0.00 O ATOM 1163 CB LEU A 88 3.309 8.962 -15.437 1.00 0.00 C ATOM 1164 CG LEU A 88 3.308 9.167 -16.950 1.00 0.00 C ATOM 1165 CD1 LEU A 88 2.964 7.869 -17.655 1.00 0.00 C ATOM 1166 CD2 LEU A 88 2.321 10.256 -17.337 1.00 0.00 C ATOM 0 H LEU A 88 5.457 9.525 -14.307 1.00 0.00 H new ATOM 0 HA LEU A 88 3.396 11.107 -15.237 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.103 8.259 -15.184 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.367 8.495 -15.151 1.00 0.00 H new ATOM 0 HG LEU A 88 4.306 9.479 -17.259 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.967 8.029 -18.733 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.702 7.109 -17.399 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.975 7.535 -17.340 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.332 10.390 -18.419 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.319 9.969 -17.017 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.603 11.191 -16.853 1.00 0.00 H new ATOM 1178 N ALA A 89 2.527 9.286 -12.618 1.00 0.00 N ATOM 1179 CA ALA A 89 1.519 9.091 -11.598 1.00 0.00 C ATOM 1180 C ALA A 89 1.387 10.311 -10.693 1.00 0.00 C ATOM 1181 O ALA A 89 0.277 10.729 -10.375 1.00 0.00 O ATOM 1182 CB ALA A 89 1.837 7.839 -10.796 1.00 0.00 C ATOM 0 H ALA A 89 3.302 8.624 -12.573 1.00 0.00 H new ATOM 0 HA ALA A 89 0.554 8.960 -12.088 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.076 7.695 -10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.850 6.975 -11.460 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.813 7.948 -10.323 1.00 0.00 H new ATOM 1188 N GLN A 90 2.512 10.894 -10.298 1.00 0.00 N ATOM 1189 CA GLN A 90 2.490 12.082 -9.454 1.00 0.00 C ATOM 1190 C GLN A 90 1.836 13.255 -10.172 1.00 0.00 C ATOM 1191 O GLN A 90 1.093 14.020 -9.563 1.00 0.00 O ATOM 1192 CB GLN A 90 3.901 12.458 -9.022 1.00 0.00 C ATOM 1193 CG GLN A 90 4.620 11.334 -8.306 1.00 0.00 C ATOM 1194 CD GLN A 90 3.906 10.876 -7.053 1.00 0.00 C ATOM 1195 OE1 GLN A 90 4.172 11.369 -5.966 1.00 0.00 O ATOM 1196 NE2 GLN A 90 2.997 9.925 -7.199 1.00 0.00 N ATOM 0 H GLN A 90 3.445 10.566 -10.547 1.00 0.00 H new ATOM 0 HA GLN A 90 1.899 11.849 -8.569 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.478 12.750 -9.899 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.855 13.328 -8.367 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.727 10.488 -8.985 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.626 11.663 -8.044 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.805 9.541 -8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.488 9.577 -6.386 1.00 0.00 H new ATOM 1205 N ALA A 91 2.097 13.383 -11.470 1.00 0.00 N ATOM 1206 CA ALA A 91 1.516 14.460 -12.256 1.00 0.00 C ATOM 1207 C ALA A 91 0.016 14.253 -12.407 1.00 0.00 C ATOM 1208 O ALA A 91 -0.749 15.214 -12.502 1.00 0.00 O ATOM 1209 CB ALA A 91 2.187 14.552 -13.620 1.00 0.00 C ATOM 0 H ALA A 91 2.705 12.755 -11.996 1.00 0.00 H new ATOM 0 HA ALA A 91 1.684 15.401 -11.732 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.738 15.364 -14.192 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.252 14.746 -13.489 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.052 13.612 -14.156 1.00 0.00 H new ATOM 1215 N ILE A 92 -0.397 12.994 -12.422 1.00 0.00 N ATOM 1216 CA ILE A 92 -1.806 12.649 -12.519 1.00 0.00 C ATOM 1217 C ILE A 92 -2.547 13.017 -11.231 1.00 0.00 C ATOM 1218 O ILE A 92 -3.478 13.825 -11.253 1.00 0.00 O ATOM 1219 CB ILE A 92 -1.980 11.145 -12.814 1.00 0.00 C ATOM 1220 CG1 ILE A 92 -1.394 10.804 -14.187 1.00 0.00 C ATOM 1221 CG2 ILE A 92 -3.439 10.746 -12.745 1.00 0.00 C ATOM 1222 CD1 ILE A 92 -1.556 9.348 -14.572 1.00 0.00 C ATOM 0 H ILE A 92 0.229 12.190 -12.368 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.234 13.220 -13.343 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.440 10.581 -12.053 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.874 11.426 -14.942 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.334 11.057 -14.193 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.535 9.681 -12.957 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.826 10.954 -11.748 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.007 11.315 -13.481 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.118 9.181 -15.556 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.051 8.719 -13.838 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.616 9.095 -14.599 1.00 0.00 H new ATOM 1234 N ILE A 93 -2.118 12.426 -10.116 1.00 0.00 N ATOM 1235 CA ILE A 93 -2.699 12.703 -8.799 1.00 0.00 C ATOM 1236 C ILE A 93 -2.723 14.203 -8.516 1.00 0.00 C ATOM 1237 O ILE A 93 -3.785 14.795 -8.299 1.00 0.00 O ATOM 1238 CB ILE A 93 -1.894 11.993 -7.675 1.00 0.00 C ATOM 1239 CG1 ILE A 93 -1.633 10.524 -8.026 1.00 0.00 C ATOM 1240 CG2 ILE A 93 -2.614 12.093 -6.344 1.00 0.00 C ATOM 1241 CD1 ILE A 93 -2.828 9.811 -8.601 1.00 0.00 C ATOM 0 H ILE A 93 -1.360 11.743 -10.098 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.720 12.321 -8.811 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.934 12.502 -7.588 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.813 10.472 -8.742 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.306 9.999 -7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.029 11.588 -5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.738 13.142 -6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.593 11.621 -6.424 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.563 8.777 -8.823 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.645 9.829 -7.879 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.143 10.310 -9.518 1.00 0.00 H new ATOM 1253 N ASP A 94 -1.545 14.816 -8.572 1.00 0.00 N ATOM 1254 CA ASP A 94 -1.379 16.228 -8.259 1.00 0.00 C ATOM 1255 C ASP A 94 -2.129 17.102 -9.258 1.00 0.00 C ATOM 1256 O ASP A 94 -2.533 18.225 -8.943 1.00 0.00 O ATOM 1257 CB ASP A 94 0.113 16.560 -8.269 1.00 0.00 C ATOM 1258 CG ASP A 94 0.414 18.009 -7.958 1.00 0.00 C ATOM 1259 OD1 ASP A 94 0.422 18.834 -8.895 1.00 0.00 O ATOM 1260 OD2 ASP A 94 0.678 18.322 -6.779 1.00 0.00 O ATOM 0 H ASP A 94 -0.679 14.346 -8.836 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.796 16.430 -7.272 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.622 15.928 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.525 16.314 -9.248 1.00 0.00 H new ATOM 1265 N GLY A 95 -2.351 16.562 -10.451 1.00 0.00 N ATOM 1266 CA GLY A 95 -3.011 17.310 -11.504 1.00 0.00 C ATOM 1267 C GLY A 95 -4.457 17.618 -11.183 1.00 0.00 C ATOM 1268 O GLY A 95 -5.052 18.521 -11.771 1.00 0.00 O ATOM 0 H GLY A 95 -2.083 15.612 -10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.474 18.243 -11.673 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.962 16.742 -12.433 1.00 0.00 H new ATOM 1272 N ALA A 96 -5.030 16.874 -10.245 1.00 0.00 N ATOM 1273 CA ALA A 96 -6.413 17.090 -9.855 1.00 0.00 C ATOM 1274 C ALA A 96 -6.486 17.867 -8.545 1.00 0.00 C ATOM 1275 O ALA A 96 -7.571 18.092 -8.011 1.00 0.00 O ATOM 1276 CB ALA A 96 -7.133 15.755 -9.728 1.00 0.00 C ATOM 0 H ALA A 96 -4.560 16.120 -9.744 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.906 17.681 -10.627 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.169 15.927 -9.435 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.108 15.235 -10.686 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.639 15.145 -8.972 1.00 0.00 H new ATOM 1282 N ASN A 97 -5.314 18.279 -8.048 1.00 0.00 N ATOM 1283 CA ASN A 97 -5.175 18.934 -6.737 1.00 0.00 C ATOM 1284 C ASN A 97 -5.362 17.916 -5.621 1.00 0.00 C ATOM 1285 O ASN A 97 -5.435 18.260 -4.439 1.00 0.00 O ATOM 1286 CB ASN A 97 -6.144 20.110 -6.557 1.00 0.00 C ATOM 1287 CG ASN A 97 -5.788 21.302 -7.428 1.00 0.00 C ATOM 1288 OD1 ASN A 97 -5.263 21.156 -8.533 1.00 0.00 O ATOM 1289 ND2 ASN A 97 -6.062 22.494 -6.927 1.00 0.00 N ATOM 0 H ASN A 97 -4.430 18.168 -8.544 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.167 19.346 -6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -7.156 19.781 -6.794 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.146 20.417 -5.511 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.838 23.335 -7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.497 22.573 -6.008 1.00 0.00 H new ATOM 1296 N ILE A 98 -5.437 16.662 -6.020 1.00 0.00 N ATOM 1297 CA ILE A 98 -5.484 15.550 -5.095 1.00 0.00 C ATOM 1298 C ILE A 98 -4.064 15.221 -4.649 1.00 0.00 C ATOM 1299 O ILE A 98 -3.145 15.215 -5.467 1.00 0.00 O ATOM 1300 CB ILE A 98 -6.152 14.314 -5.754 1.00 0.00 C ATOM 1301 CG1 ILE A 98 -7.676 14.371 -5.610 1.00 0.00 C ATOM 1302 CG2 ILE A 98 -5.611 13.013 -5.189 1.00 0.00 C ATOM 1303 CD1 ILE A 98 -8.333 15.438 -6.455 1.00 0.00 C ATOM 0 H ILE A 98 -5.467 16.385 -7.001 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.084 15.824 -4.227 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.904 14.342 -6.815 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -8.093 13.401 -5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.926 14.546 -4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.104 12.172 -5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.537 12.957 -5.368 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.803 12.974 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.411 15.414 -6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.946 16.417 -6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.116 15.254 -7.507 1.00 0.00 H new ATOM 1315 N THR A 99 -3.879 14.970 -3.364 1.00 0.00 N ATOM 1316 CA THR A 99 -2.547 14.704 -2.845 1.00 0.00 C ATOM 1317 C THR A 99 -2.562 13.569 -1.833 1.00 0.00 C ATOM 1318 O THR A 99 -3.628 13.092 -1.432 1.00 0.00 O ATOM 1319 CB THR A 99 -1.909 15.947 -2.191 1.00 0.00 C ATOM 1320 OG1 THR A 99 -2.814 16.540 -1.242 1.00 0.00 O ATOM 1321 CG2 THR A 99 -1.509 16.980 -3.236 1.00 0.00 C ATOM 0 H THR A 99 -4.624 14.945 -2.668 1.00 0.00 H new ATOM 0 HA THR A 99 -1.944 14.419 -3.707 1.00 0.00 H new ATOM 0 HB THR A 99 -1.009 15.619 -1.671 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.393 17.326 -0.835 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.063 17.843 -2.742 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.786 16.541 -3.923 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.392 17.296 -3.792 1.00 0.00 H new ATOM 1329 N LEU A 100 -1.375 13.132 -1.440 1.00 0.00 N ATOM 1330 CA LEU A 100 -1.235 12.063 -0.473 1.00 0.00 C ATOM 1331 C LEU A 100 0.040 12.269 0.353 1.00 0.00 C ATOM 1332 O LEU A 100 1.148 12.187 -0.175 1.00 0.00 O ATOM 1333 CB LEU A 100 -1.220 10.718 -1.209 1.00 0.00 C ATOM 1334 CG LEU A 100 -1.579 9.499 -0.372 1.00 0.00 C ATOM 1335 CD1 LEU A 100 -0.501 9.192 0.635 1.00 0.00 C ATOM 1336 CD2 LEU A 100 -2.904 9.739 0.319 1.00 0.00 C ATOM 0 H LEU A 100 -0.490 13.507 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.079 12.068 0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.914 10.777 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.226 10.566 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.666 8.634 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.786 8.316 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.436 8.993 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.372 10.045 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.164 8.867 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.825 10.614 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.679 9.909 -0.429 1.00 0.00 H new ATOM 1348 N PRO A 101 -0.115 12.524 1.665 1.00 0.00 N ATOM 1349 CA PRO A 101 1.004 12.863 2.567 1.00 0.00 C ATOM 1350 C PRO A 101 2.028 11.735 2.766 1.00 0.00 C ATOM 1351 O PRO A 101 3.143 11.973 3.230 1.00 0.00 O ATOM 1352 CB PRO A 101 0.308 13.183 3.896 1.00 0.00 C ATOM 1353 CG PRO A 101 -1.007 12.495 3.818 1.00 0.00 C ATOM 1354 CD PRO A 101 -1.405 12.535 2.371 1.00 0.00 C ATOM 0 HA PRO A 101 1.593 13.680 2.150 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.892 12.824 4.744 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.184 14.258 4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.932 11.468 4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -1.748 12.996 4.441 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.020 11.677 2.099 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.984 13.429 2.138 1.00 0.00 H new ATOM 1362 N HIS A 102 1.651 10.509 2.435 1.00 0.00 N ATOM 1363 CA HIS A 102 2.572 9.378 2.546 1.00 0.00 C ATOM 1364 C HIS A 102 3.523 9.330 1.360 1.00 0.00 C ATOM 1365 O HIS A 102 4.614 8.768 1.441 1.00 0.00 O ATOM 1366 CB HIS A 102 1.822 8.047 2.629 1.00 0.00 C ATOM 1367 CG HIS A 102 1.242 7.736 3.970 1.00 0.00 C ATOM 1368 ND1 HIS A 102 1.676 6.680 4.737 1.00 0.00 N ATOM 1369 CD2 HIS A 102 0.244 8.324 4.672 1.00 0.00 C ATOM 1370 CE1 HIS A 102 0.972 6.626 5.850 1.00 0.00 C ATOM 1371 NE2 HIS A 102 0.094 7.614 5.837 1.00 0.00 N ATOM 0 H HIS A 102 0.722 10.269 2.089 1.00 0.00 H new ATOM 0 HA HIS A 102 3.139 9.525 3.465 1.00 0.00 H new ATOM 0 HB2 HIS A 102 1.017 8.053 1.894 1.00 0.00 H new ATOM 0 HB3 HIS A 102 2.504 7.244 2.349 1.00 0.00 H new ATOM 0 HD1 HIS A 102 2.427 6.038 4.484 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.327 9.190 4.371 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.092 5.898 6.639 1.00 0.00 H new ATOM 1380 N GLY A 103 3.108 9.933 0.258 1.00 0.00 N ATOM 1381 CA GLY A 103 3.861 9.814 -0.967 1.00 0.00 C ATOM 1382 C GLY A 103 3.659 8.467 -1.613 1.00 0.00 C ATOM 1383 O GLY A 103 4.431 8.053 -2.474 1.00 0.00 O ATOM 0 H GLY A 103 2.264 10.502 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.558 10.599 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.921 9.964 -0.760 1.00 0.00 H new ATOM 1387 N ALA A 104 2.609 7.788 -1.192 1.00 0.00 N ATOM 1388 CA ALA A 104 2.324 6.456 -1.672 1.00 0.00 C ATOM 1389 C ALA A 104 1.347 6.509 -2.827 1.00 0.00 C ATOM 1390 O ALA A 104 0.413 7.308 -2.834 1.00 0.00 O ATOM 1391 CB ALA A 104 1.771 5.591 -0.552 1.00 0.00 C ATOM 0 H ALA A 104 1.936 8.144 -0.513 1.00 0.00 H new ATOM 0 HA ALA A 104 3.255 6.011 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.563 4.591 -0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.503 5.527 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.850 6.033 -0.171 1.00 0.00 H new ATOM 1397 N LEU A 105 1.586 5.648 -3.796 1.00 0.00 N ATOM 1398 CA LEU A 105 0.747 5.537 -4.978 1.00 0.00 C ATOM 1399 C LEU A 105 -0.543 4.817 -4.605 1.00 0.00 C ATOM 1400 O LEU A 105 -1.572 4.948 -5.260 1.00 0.00 O ATOM 1401 CB LEU A 105 1.506 4.743 -6.053 1.00 0.00 C ATOM 1402 CG LEU A 105 1.206 5.099 -7.515 1.00 0.00 C ATOM 1403 CD1 LEU A 105 -0.237 4.797 -7.876 1.00 0.00 C ATOM 1404 CD2 LEU A 105 1.525 6.555 -7.775 1.00 0.00 C ATOM 0 H LEU A 105 2.373 5.000 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 105 0.504 6.526 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.574 4.876 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.290 3.684 -5.910 1.00 0.00 H new ATOM 0 HG LEU A 105 1.841 4.479 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.414 5.061 -8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.433 3.734 -7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.901 5.378 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.308 6.795 -8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.917 7.183 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.580 6.738 -7.573 1.00 0.00 H new ATOM 1416 N THR A 106 -0.471 4.077 -3.517 1.00 0.00 N ATOM 1417 CA THR A 106 -1.557 3.215 -3.099 1.00 0.00 C ATOM 1418 C THR A 106 -2.522 3.929 -2.166 1.00 0.00 C ATOM 1419 O THR A 106 -3.316 3.294 -1.485 1.00 0.00 O ATOM 1420 CB THR A 106 -1.000 1.973 -2.397 1.00 0.00 C ATOM 1421 OG1 THR A 106 -0.286 2.357 -1.214 1.00 0.00 O ATOM 1422 CG2 THR A 106 -0.061 1.233 -3.324 1.00 0.00 C ATOM 0 H THR A 106 0.340 4.056 -2.899 1.00 0.00 H new ATOM 0 HA THR A 106 -2.105 2.924 -3.995 1.00 0.00 H new ATOM 0 HB THR A 106 -1.832 1.323 -2.126 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.646 2.061 -1.283 1.00 0.00 H new ATOM 0 HG21 THR A 106 0.331 0.351 -2.817 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.601 0.927 -4.220 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.765 1.887 -3.604 1.00 0.00 H new ATOM 1430 N GLU A 107 -2.431 5.242 -2.119 1.00 0.00 N ATOM 1431 CA GLU A 107 -3.362 6.047 -1.351 1.00 0.00 C ATOM 1432 C GLU A 107 -3.530 7.385 -2.049 1.00 0.00 C ATOM 1433 O GLU A 107 -2.575 7.900 -2.634 1.00 0.00 O ATOM 1434 CB GLU A 107 -2.869 6.270 0.089 1.00 0.00 C ATOM 1435 CG GLU A 107 -2.621 4.997 0.886 1.00 0.00 C ATOM 1436 CD GLU A 107 -2.317 5.277 2.352 1.00 0.00 C ATOM 1437 OE1 GLU A 107 -1.373 6.044 2.633 1.00 0.00 O ATOM 1438 OE2 GLU A 107 -3.024 4.733 3.229 1.00 0.00 O ATOM 0 H GLU A 107 -1.715 5.780 -2.608 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.314 5.520 -1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.944 6.846 0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.604 6.876 0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.497 4.352 0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.788 4.451 0.443 1.00 0.00 H new ATOM 1445 N CYS A 108 -4.733 7.935 -2.019 1.00 0.00 N ATOM 1446 CA CYS A 108 -4.979 9.256 -2.581 1.00 0.00 C ATOM 1447 C CYS A 108 -6.116 9.944 -1.846 1.00 0.00 C ATOM 1448 O CYS A 108 -7.118 9.311 -1.511 1.00 0.00 O ATOM 1449 CB CYS A 108 -5.302 9.170 -4.082 1.00 0.00 C ATOM 1450 SG CYS A 108 -3.959 8.522 -5.107 1.00 0.00 S ATOM 0 H CYS A 108 -5.555 7.489 -1.612 1.00 0.00 H new ATOM 0 HA CYS A 108 -4.069 9.843 -2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.180 8.538 -4.215 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.567 10.165 -4.440 1.00 0.00 H new ATOM 0 HG CYS A 108 -2.944 8.220 -4.353 1.00 0.00 H new ATOM 1456 N TYR A 109 -5.963 11.240 -1.591 1.00 0.00 N ATOM 1457 CA TYR A 109 -6.993 11.999 -0.900 1.00 0.00 C ATOM 1458 C TYR A 109 -7.501 13.115 -1.793 1.00 0.00 C ATOM 1459 O TYR A 109 -6.733 13.964 -2.262 1.00 0.00 O ATOM 1460 CB TYR A 109 -6.468 12.591 0.417 1.00 0.00 C ATOM 1461 CG TYR A 109 -5.970 11.563 1.409 1.00 0.00 C ATOM 1462 CD1 TYR A 109 -6.421 10.252 1.365 1.00 0.00 C ATOM 1463 CD2 TYR A 109 -5.046 11.904 2.384 1.00 0.00 C ATOM 1464 CE1 TYR A 109 -5.967 9.311 2.261 1.00 0.00 C ATOM 1465 CE2 TYR A 109 -4.586 10.968 3.289 1.00 0.00 C ATOM 1466 CZ TYR A 109 -5.049 9.672 3.222 1.00 0.00 C ATOM 1467 OH TYR A 109 -4.589 8.736 4.116 1.00 0.00 O ATOM 0 H TYR A 109 -5.139 11.782 -1.852 1.00 0.00 H new ATOM 0 HA TYR A 109 -7.809 11.316 -0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.657 13.284 0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.264 13.172 0.883 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.142 9.964 0.614 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -4.680 12.919 2.437 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -6.329 8.295 2.211 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.868 11.250 4.045 1.00 0.00 H new ATOM 0 HH TYR A 109 -3.946 9.154 4.726 1.00 0.00 H new ATOM 1477 N ASP A 110 -8.805 13.094 -2.016 1.00 0.00 N ATOM 1478 CA ASP A 110 -9.467 14.057 -2.875 1.00 0.00 C ATOM 1479 C ASP A 110 -9.842 15.289 -2.063 1.00 0.00 C ATOM 1480 O ASP A 110 -10.154 15.191 -0.874 1.00 0.00 O ATOM 1481 CB ASP A 110 -10.711 13.414 -3.498 1.00 0.00 C ATOM 1482 CG ASP A 110 -11.442 14.335 -4.451 1.00 0.00 C ATOM 1483 OD1 ASP A 110 -12.076 15.302 -3.982 1.00 0.00 O ATOM 1484 OD2 ASP A 110 -11.382 14.097 -5.673 1.00 0.00 O ATOM 0 H ASP A 110 -9.435 12.405 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.796 14.363 -3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.417 12.509 -4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.392 13.109 -2.703 1.00 0.00 H new ATOM 1489 N GLU A 111 -9.808 16.446 -2.730 1.00 0.00 N ATOM 1490 CA GLU A 111 -9.970 17.752 -2.091 1.00 0.00 C ATOM 1491 C GLU A 111 -11.290 17.862 -1.337 1.00 0.00 C ATOM 1492 O GLU A 111 -11.420 18.663 -0.414 1.00 0.00 O ATOM 1493 CB GLU A 111 -9.919 18.851 -3.148 1.00 0.00 C ATOM 1494 CG GLU A 111 -11.185 18.927 -3.987 1.00 0.00 C ATOM 1495 CD GLU A 111 -11.096 19.958 -5.082 1.00 0.00 C ATOM 1496 OE1 GLU A 111 -10.664 19.611 -6.198 1.00 0.00 O ATOM 1497 OE2 GLU A 111 -11.480 21.121 -4.837 1.00 0.00 O ATOM 0 H GLU A 111 -9.666 16.501 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.156 17.865 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.756 19.811 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.065 18.678 -3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.382 17.950 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.031 19.162 -3.341 1.00 0.00 H new ATOM 1504 N LEU A 112 -12.267 17.069 -1.750 1.00 0.00 N ATOM 1505 CA LEU A 112 -13.589 17.092 -1.143 1.00 0.00 C ATOM 1506 C LEU A 112 -13.585 16.369 0.198 1.00 0.00 C ATOM 1507 O LEU A 112 -14.595 16.319 0.894 1.00 0.00 O ATOM 1508 CB LEU A 112 -14.589 16.432 -2.084 1.00 0.00 C ATOM 1509 CG LEU A 112 -14.553 16.948 -3.520 1.00 0.00 C ATOM 1510 CD1 LEU A 112 -15.403 16.066 -4.411 1.00 0.00 C ATOM 1511 CD2 LEU A 112 -15.022 18.393 -3.580 1.00 0.00 C ATOM 0 H LEU A 112 -12.167 16.396 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 112 -13.875 18.129 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.403 15.358 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.593 16.578 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.525 16.913 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -15.371 16.443 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -15.018 15.047 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -16.433 16.073 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -14.989 18.744 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -16.044 18.460 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.370 19.013 -2.965 1.00 0.00 H new ATOM 1523 N GLY A 113 -12.442 15.803 0.551 1.00 0.00 N ATOM 1524 CA GLY A 113 -12.325 15.079 1.795 1.00 0.00 C ATOM 1525 C GLY A 113 -12.568 13.603 1.594 1.00 0.00 C ATOM 1526 O GLY A 113 -13.131 12.929 2.458 1.00 0.00 O ATOM 0 H GLY A 113 -11.589 15.834 -0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -11.331 15.232 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -13.041 15.473 2.516 1.00 0.00 H new ATOM 1530 N ASN A 114 -12.150 13.106 0.441 1.00 0.00 N ATOM 1531 CA ASN A 114 -12.326 11.704 0.098 1.00 0.00 C ATOM 1532 C ASN A 114 -10.993 10.981 0.182 1.00 0.00 C ATOM 1533 O ASN A 114 -9.941 11.612 0.082 1.00 0.00 O ATOM 1534 CB ASN A 114 -12.884 11.569 -1.317 1.00 0.00 C ATOM 1535 CG ASN A 114 -14.188 12.323 -1.526 1.00 0.00 C ATOM 1536 OD1 ASN A 114 -14.465 12.799 -2.626 1.00 0.00 O ATOM 1537 ND2 ASN A 114 -15.006 12.427 -0.486 1.00 0.00 N ATOM 0 H ASN A 114 -11.683 13.658 -0.278 1.00 0.00 H new ATOM 0 HA ASN A 114 -13.029 11.260 0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -12.143 11.935 -2.028 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -13.044 10.514 -1.538 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -15.897 12.914 -0.585 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -14.744 12.020 0.412 1.00 0.00 H new ATOM 1544 N ARG A 115 -11.025 9.669 0.346 1.00 0.00 N ATOM 1545 CA ARG A 115 -9.796 8.901 0.436 1.00 0.00 C ATOM 1546 C ARG A 115 -9.919 7.590 -0.319 1.00 0.00 C ATOM 1547 O ARG A 115 -10.955 6.930 -0.285 1.00 0.00 O ATOM 1548 CB ARG A 115 -9.418 8.628 1.895 1.00 0.00 C ATOM 1549 CG ARG A 115 -10.389 7.721 2.630 1.00 0.00 C ATOM 1550 CD ARG A 115 -9.913 7.426 4.042 1.00 0.00 C ATOM 1551 NE ARG A 115 -9.815 8.639 4.854 1.00 0.00 N ATOM 1552 CZ ARG A 115 -9.300 8.677 6.081 1.00 0.00 C ATOM 1553 NH1 ARG A 115 -8.817 7.572 6.633 1.00 0.00 N ATOM 1554 NH2 ARG A 115 -9.260 9.823 6.751 1.00 0.00 N ATOM 0 H ARG A 115 -11.880 9.118 0.419 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.006 9.497 -0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.426 8.178 1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.353 9.578 2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -11.372 8.191 2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -10.503 6.787 2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -10.601 6.727 4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -8.939 6.938 4.001 1.00 0.00 H new ATOM 0 HE ARG A 115 -10.163 9.511 4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -8.840 6.692 6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.423 7.602 7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.624 10.675 6.326 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -8.865 9.851 7.691 1.00 0.00 H new ATOM 1568 N TYR A 116 -8.860 7.234 -1.014 1.00 0.00 N ATOM 1569 CA TYR A 116 -8.790 5.964 -1.708 1.00 0.00 C ATOM 1570 C TYR A 116 -7.560 5.203 -1.267 1.00 0.00 C ATOM 1571 O TYR A 116 -6.449 5.728 -1.317 1.00 0.00 O ATOM 1572 CB TYR A 116 -8.761 6.166 -3.218 1.00 0.00 C ATOM 1573 CG TYR A 116 -10.112 6.440 -3.817 1.00 0.00 C ATOM 1574 CD1 TYR A 116 -11.038 5.418 -3.950 1.00 0.00 C ATOM 1575 CD2 TYR A 116 -10.462 7.708 -4.257 1.00 0.00 C ATOM 1576 CE1 TYR A 116 -12.275 5.648 -4.507 1.00 0.00 C ATOM 1577 CE2 TYR A 116 -11.698 7.947 -4.821 1.00 0.00 C ATOM 1578 CZ TYR A 116 -12.601 6.911 -4.942 1.00 0.00 C ATOM 1579 OH TYR A 116 -13.833 7.135 -5.508 1.00 0.00 O ATOM 0 H TYR A 116 -8.026 7.813 -1.114 1.00 0.00 H new ATOM 0 HA TYR A 116 -9.681 5.389 -1.457 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -8.095 6.996 -3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -8.339 5.277 -3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -10.785 4.424 -3.611 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.757 8.520 -4.157 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -12.986 4.841 -4.602 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.957 8.937 -5.165 1.00 0.00 H new ATOM 0 HH TYR A 116 -13.967 6.515 -6.255 1.00 0.00 H new ATOM 1589 N GLN A 117 -7.763 3.964 -0.858 1.00 0.00 N ATOM 1590 CA GLN A 117 -6.685 3.146 -0.331 1.00 0.00 C ATOM 1591 C GLN A 117 -6.567 1.892 -1.186 1.00 0.00 C ATOM 1592 O GLN A 117 -7.533 1.145 -1.350 1.00 0.00 O ATOM 1593 CB GLN A 117 -6.972 2.783 1.128 1.00 0.00 C ATOM 1594 CG GLN A 117 -7.482 3.954 1.963 1.00 0.00 C ATOM 1595 CD GLN A 117 -6.423 5.001 2.254 1.00 0.00 C ATOM 1596 OE1 GLN A 117 -6.212 5.927 1.476 1.00 0.00 O ATOM 1597 NE2 GLN A 117 -5.790 4.891 3.405 1.00 0.00 N ATOM 0 H GLN A 117 -8.671 3.499 -0.881 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.744 3.695 -0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.709 1.981 1.155 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -6.061 2.394 1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.314 4.426 1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.873 3.573 2.906 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -5.992 4.107 4.025 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -5.098 5.590 3.675 1.00 0.00 H new ATOM 1606 N LEU A 118 -5.389 1.684 -1.745 1.00 0.00 N ATOM 1607 CA LEU A 118 -5.197 0.687 -2.781 1.00 0.00 C ATOM 1608 C LEU A 118 -4.533 -0.579 -2.243 1.00 0.00 C ATOM 1609 O LEU A 118 -3.446 -0.532 -1.661 1.00 0.00 O ATOM 1610 CB LEU A 118 -4.363 1.280 -3.921 1.00 0.00 C ATOM 1611 CG LEU A 118 -4.273 0.426 -5.183 1.00 0.00 C ATOM 1612 CD1 LEU A 118 -5.651 0.231 -5.789 1.00 0.00 C ATOM 1613 CD2 LEU A 118 -3.340 1.072 -6.194 1.00 0.00 C ATOM 0 H LEU A 118 -4.544 2.198 -1.496 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.180 0.402 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -4.783 2.250 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -3.353 1.461 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 118 -3.871 -0.550 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -5.570 -0.380 -6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.298 -0.268 -5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.076 1.201 -6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.286 0.451 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -3.719 2.059 -6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.345 1.170 -5.760 1.00 0.00 H new ATOM 1625 N PRO A 119 -5.206 -1.727 -2.434 1.00 0.00 N ATOM 1626 CA PRO A 119 -4.687 -3.049 -2.059 1.00 0.00 C ATOM 1627 C PRO A 119 -3.512 -3.495 -2.936 1.00 0.00 C ATOM 1628 O PRO A 119 -3.371 -3.072 -4.086 1.00 0.00 O ATOM 1629 CB PRO A 119 -5.892 -3.981 -2.276 1.00 0.00 C ATOM 1630 CG PRO A 119 -7.075 -3.083 -2.384 1.00 0.00 C ATOM 1631 CD PRO A 119 -6.557 -1.824 -3.002 1.00 0.00 C ATOM 0 HA PRO A 119 -4.298 -3.052 -1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -5.769 -4.578 -3.180 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -6.003 -4.679 -1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -7.855 -3.532 -2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -7.513 -2.890 -1.405 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -6.537 -1.884 -4.090 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -7.170 -0.961 -2.742 1.00 0.00 H new ATOM 1639 N VAL A 120 -2.693 -4.386 -2.376 1.00 0.00 N ATOM 1640 CA VAL A 120 -1.458 -4.854 -3.018 1.00 0.00 C ATOM 1641 C VAL A 120 -1.724 -5.662 -4.286 1.00 0.00 C ATOM 1642 O VAL A 120 -0.836 -5.819 -5.117 1.00 0.00 O ATOM 1643 CB VAL A 120 -0.617 -5.746 -2.069 1.00 0.00 C ATOM 1644 CG1 VAL A 120 -0.288 -5.021 -0.775 1.00 0.00 C ATOM 1645 CG2 VAL A 120 -1.326 -7.055 -1.774 1.00 0.00 C ATOM 0 H VAL A 120 -2.865 -4.806 -1.463 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.911 -3.946 -3.271 1.00 0.00 H new ATOM 0 HB VAL A 120 0.319 -5.970 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.302 -5.674 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.282 -4.119 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.212 -4.749 -0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -0.712 -7.659 -1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.285 -6.850 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -1.491 -7.597 -2.705 1.00 0.00 H new ATOM 1655 N TYR A 121 -2.953 -6.136 -4.435 1.00 0.00 N ATOM 1656 CA TYR A 121 -3.282 -7.159 -5.433 1.00 0.00 C ATOM 1657 C TYR A 121 -2.996 -6.708 -6.870 1.00 0.00 C ATOM 1658 O TYR A 121 -2.824 -7.536 -7.759 1.00 0.00 O ATOM 1659 CB TYR A 121 -4.756 -7.570 -5.306 1.00 0.00 C ATOM 1660 CG TYR A 121 -5.715 -6.595 -5.951 1.00 0.00 C ATOM 1661 CD1 TYR A 121 -5.890 -5.321 -5.434 1.00 0.00 C ATOM 1662 CD2 TYR A 121 -6.435 -6.947 -7.085 1.00 0.00 C ATOM 1663 CE1 TYR A 121 -6.750 -4.425 -6.027 1.00 0.00 C ATOM 1664 CE2 TYR A 121 -7.301 -6.055 -7.683 1.00 0.00 C ATOM 1665 CZ TYR A 121 -7.457 -4.794 -7.150 1.00 0.00 C ATOM 1666 OH TYR A 121 -8.313 -3.896 -7.748 1.00 0.00 O ATOM 0 H TYR A 121 -3.748 -5.829 -3.875 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.635 -8.012 -5.228 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -4.891 -8.552 -5.759 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -5.007 -7.669 -4.250 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -5.342 -5.026 -4.551 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -6.315 -7.935 -7.505 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -6.870 -3.435 -5.613 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -7.854 -6.344 -8.565 1.00 0.00 H new ATOM 0 HH TYR A 121 -8.732 -4.314 -8.529 1.00 0.00 H new ATOM 1676 N CYS A 122 -2.943 -5.403 -7.094 1.00 0.00 N ATOM 1677 CA CYS A 122 -2.800 -4.880 -8.446 1.00 0.00 C ATOM 1678 C CYS A 122 -1.426 -4.243 -8.661 1.00 0.00 C ATOM 1679 O CYS A 122 -1.133 -3.739 -9.745 1.00 0.00 O ATOM 1680 CB CYS A 122 -3.921 -3.869 -8.727 1.00 0.00 C ATOM 1681 SG CYS A 122 -3.954 -3.229 -10.419 1.00 0.00 S ATOM 0 H CYS A 122 -2.996 -4.692 -6.365 1.00 0.00 H new ATOM 0 HA CYS A 122 -2.881 -5.710 -9.147 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -4.880 -4.341 -8.513 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -3.817 -3.031 -8.038 1.00 0.00 H new ATOM 0 HG CYS A 122 -2.743 -3.183 -10.889 1.00 0.00 H new ATOM 1687 N LEU A 123 -0.574 -4.278 -7.643 1.00 0.00 N ATOM 1688 CA LEU A 123 0.738 -3.638 -7.740 1.00 0.00 C ATOM 1689 C LEU A 123 1.857 -4.574 -7.307 1.00 0.00 C ATOM 1690 O LEU A 123 2.950 -4.560 -7.874 1.00 0.00 O ATOM 1691 CB LEU A 123 0.776 -2.382 -6.876 1.00 0.00 C ATOM 1692 CG LEU A 123 -0.149 -1.251 -7.317 1.00 0.00 C ATOM 1693 CD1 LEU A 123 -0.034 -0.097 -6.348 1.00 0.00 C ATOM 1694 CD2 LEU A 123 0.193 -0.794 -8.726 1.00 0.00 C ATOM 0 H LEU A 123 -0.762 -4.736 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 123 0.894 -3.377 -8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.521 -2.658 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.799 -2.005 -6.859 1.00 0.00 H new ATOM 0 HG LEU A 123 -1.176 -1.617 -7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -0.695 0.710 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -0.319 -0.430 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.995 0.262 -6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -0.479 0.013 -9.020 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.222 -0.437 -8.753 1.00 0.00 H new ATOM 0 HD23 LEU A 123 0.081 -1.630 -9.417 1.00 0.00 H new ATOM 1706 N ALA A 124 1.583 -5.376 -6.295 1.00 0.00 N ATOM 1707 CA ALA A 124 2.590 -6.240 -5.721 1.00 0.00 C ATOM 1708 C ALA A 124 2.197 -7.700 -5.891 1.00 0.00 C ATOM 1709 O ALA A 124 1.213 -8.161 -5.318 1.00 0.00 O ATOM 1710 CB ALA A 124 2.787 -5.888 -4.255 1.00 0.00 C ATOM 0 H ALA A 124 0.666 -5.445 -5.854 1.00 0.00 H new ATOM 0 HA ALA A 124 3.535 -6.091 -6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.546 -6.540 -3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 124 3.109 -4.850 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.847 -6.021 -3.719 1.00 0.00 H new ATOM 1716 N PRO A 125 2.962 -8.429 -6.719 1.00 0.00 N ATOM 1717 CA PRO A 125 2.757 -9.865 -6.966 1.00 0.00 C ATOM 1718 C PRO A 125 2.776 -10.770 -5.712 1.00 0.00 C ATOM 1719 O PRO A 125 2.070 -11.782 -5.697 1.00 0.00 O ATOM 1720 CB PRO A 125 3.911 -10.235 -7.896 1.00 0.00 C ATOM 1721 CG PRO A 125 4.291 -8.960 -8.558 1.00 0.00 C ATOM 1722 CD PRO A 125 4.073 -7.889 -7.529 1.00 0.00 C ATOM 0 HA PRO A 125 1.759 -10.028 -7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 125 4.748 -10.656 -7.339 1.00 0.00 H new ATOM 0 HB3 PRO A 125 3.605 -10.984 -8.627 1.00 0.00 H new ATOM 0 HG2 PRO A 125 5.330 -8.983 -8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.682 -8.782 -9.444 1.00 0.00 H new ATOM 0 HD2 PRO A 125 4.966 -7.719 -6.927 1.00 0.00 H new ATOM 0 HD3 PRO A 125 3.812 -6.935 -7.988 1.00 0.00 H new ATOM 1730 N PRO A 126 3.603 -10.487 -4.663 1.00 0.00 N ATOM 1731 CA PRO A 126 3.573 -11.274 -3.416 1.00 0.00 C ATOM 1732 C PRO A 126 2.265 -11.089 -2.638 1.00 0.00 C ATOM 1733 O PRO A 126 1.214 -10.837 -3.226 1.00 0.00 O ATOM 1734 CB PRO A 126 4.761 -10.722 -2.616 1.00 0.00 C ATOM 1735 CG PRO A 126 4.955 -9.348 -3.140 1.00 0.00 C ATOM 1736 CD PRO A 126 4.636 -9.433 -4.602 1.00 0.00 C ATOM 0 HA PRO A 126 3.635 -12.345 -3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 126 4.550 -10.713 -1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 126 5.653 -11.331 -2.759 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.300 -8.638 -2.635 1.00 0.00 H new ATOM 0 HG3 PRO A 126 5.978 -9.007 -2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 126 4.266 -8.484 -4.989 1.00 0.00 H new ATOM 0 HD3 PRO A 126 5.515 -9.696 -5.191 1.00 0.00 H new ATOM 1744 N ILE A 127 2.342 -11.189 -1.307 1.00 0.00 N ATOM 1745 CA ILE A 127 1.158 -11.157 -0.455 1.00 0.00 C ATOM 1746 C ILE A 127 0.148 -12.198 -0.935 1.00 0.00 C ATOM 1747 O ILE A 127 -1.027 -11.916 -1.174 1.00 0.00 O ATOM 1748 CB ILE A 127 0.517 -9.750 -0.410 1.00 0.00 C ATOM 1749 CG1 ILE A 127 1.583 -8.695 -0.101 1.00 0.00 C ATOM 1750 CG2 ILE A 127 -0.577 -9.698 0.644 1.00 0.00 C ATOM 1751 CD1 ILE A 127 2.197 -8.048 -1.316 1.00 0.00 C ATOM 0 H ILE A 127 3.220 -11.293 -0.798 1.00 0.00 H new ATOM 0 HA ILE A 127 1.467 -11.398 0.562 1.00 0.00 H new ATOM 0 HB ILE A 127 0.077 -9.540 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 127 1.138 -7.919 0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 127 2.375 -9.159 0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -1.017 -8.701 0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.348 -10.431 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.151 -9.925 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 127 2.940 -7.315 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 127 2.676 -8.810 -1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 127 1.419 -7.550 -1.895 1.00 0.00 H new