USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 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 23 HIS : no HE2:sc= -2.12! C(o=-3.6!,f=-10!) USER MOD Set 1.2: A 54 CYS SG : rot -170:sc= -2.18! USER MOD Set 1.3: A 55 THR OG1 : rot 86:sc= 0.699 USER MOD Single : A 12 ASN : amide:sc= -0.375 K(o=-0.37,f=-3.3!) USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= -0.0154 (180deg=-0.178) USER MOD Single : A 24 SER OG : rot 79:sc= 0.901 USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= 0.419 (180deg=0.138) USER MOD Single : A 27 MET CE :methyl -168:sc= -0.0532 (180deg=-0.305) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 34 ASN : amide:sc= 0.201 K(o=0.2,f=-9.9!) USER MOD Single : A 37 LYS NZ :NH3+ -147:sc= -0.338 (180deg=-1.27!) USER MOD Single : A 42 MET CE :methyl -178:sc= -2.97! (180deg=-3.14!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 151:sc= -1.05 (180deg=-2.68!) USER MOD Single : A 60 TYR OH : rot -124:sc= -0.874 USER MOD Single : A 68 HIS : no HD1:sc= -0.954 K(o=-0.95,f=-0.39) USER MOD Single : A 70 THR OG1 : rot -49:sc= 0.541 USER MOD Single : A 71 GLN : amide:sc= -3.15 K(o=-3.1,f=-1.4) USER MOD Single : A 76 MET CE :methyl -164:sc= -0.121 (180deg=-0.528) USER MOD Single : A 80 LYS NZ :NH3+ -162:sc= -0.0961 (180deg=-0.434) USER MOD Single : A 82 MET CE :methyl -135:sc= -0.291 (180deg=-0.64) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 11 3.166 -15.938 -0.422 1.00 32.40 N ATOM 165 CA PRO A 11 4.347 -15.529 0.347 1.00 60.44 C ATOM 166 C PRO A 11 4.111 -15.540 1.870 1.00 70.54 C ATOM 167 O PRO A 11 2.973 -15.639 2.340 1.00 2.44 O ATOM 168 CB PRO A 11 4.566 -14.101 -0.159 1.00 64.31 C ATOM 169 CG PRO A 11 3.185 -13.579 -0.423 1.00 70.13 C ATOM 170 CD PRO A 11 2.315 -14.776 -0.758 1.00 71.45 C ATOM 0 HA PRO A 11 5.194 -16.201 0.208 1.00 60.44 H new ATOM 0 HB2 PRO A 11 5.085 -13.493 0.582 1.00 64.31 H new ATOM 0 HB3 PRO A 11 5.174 -14.089 -1.064 1.00 64.31 H new ATOM 0 HG2 PRO A 11 2.798 -13.053 0.450 1.00 70.13 H new ATOM 0 HG3 PRO A 11 3.193 -12.866 -1.247 1.00 70.13 H new ATOM 0 HD2 PRO A 11 1.393 -14.775 -0.177 1.00 71.45 H new ATOM 0 HD3 PRO A 11 2.029 -14.781 -1.810 1.00 71.45 H new ATOM 178 N ASN A 12 5.198 -15.463 2.636 1.00 15.23 N ATOM 179 CA ASN A 12 5.108 -15.307 4.091 1.00 21.10 C ATOM 180 C ASN A 12 4.505 -13.936 4.445 1.00 53.41 C ATOM 181 O ASN A 12 4.549 -13.003 3.638 1.00 45.41 O ATOM 182 CB ASN A 12 6.497 -15.445 4.732 1.00 32.32 C ATOM 183 CG ASN A 12 7.132 -16.804 4.490 1.00 40.23 C ATOM 184 OD1 ASN A 12 6.866 -17.463 3.492 1.00 42.25 O ATOM 185 ND2 ASN A 12 7.997 -17.218 5.392 1.00 54.32 N ATOM 0 H ASN A 12 6.151 -15.506 2.276 1.00 15.23 H new ATOM 0 HA ASN A 12 4.460 -16.092 4.481 1.00 21.10 H new ATOM 0 HB2 ASN A 12 7.152 -14.669 4.336 1.00 32.32 H new ATOM 0 HB3 ASN A 12 6.414 -15.275 5.805 1.00 32.32 H new ATOM 0 HD21 ASN A 12 8.470 -18.114 5.272 1.00 54.32 H new ATOM 0 HD22 ASN A 12 8.194 -16.643 6.211 1.00 54.32 H new ATOM 192 N GLU A 13 3.950 -13.815 5.648 1.00 54.22 N ATOM 193 CA GLU A 13 3.337 -12.556 6.091 1.00 11.42 C ATOM 194 C GLU A 13 4.334 -11.388 6.019 1.00 65.24 C ATOM 195 O GLU A 13 4.030 -10.331 5.462 1.00 54.01 O ATOM 196 CB GLU A 13 2.792 -12.705 7.516 1.00 34.21 C ATOM 197 CG GLU A 13 2.011 -11.493 8.010 1.00 5.14 C ATOM 198 CD GLU A 13 1.337 -11.748 9.346 1.00 35.45 C ATOM 199 OE1 GLU A 13 0.256 -12.374 9.363 1.00 25.14 O ATOM 200 OE2 GLU A 13 1.887 -11.336 10.388 1.00 11.31 O ATOM 0 H GLU A 13 3.910 -14.568 6.335 1.00 54.22 H new ATOM 0 HA GLU A 13 2.512 -12.330 5.416 1.00 11.42 H new ATOM 0 HB2 GLU A 13 2.146 -13.582 7.557 1.00 34.21 H new ATOM 0 HB3 GLU A 13 3.624 -12.890 8.195 1.00 34.21 H new ATOM 0 HG2 GLU A 13 2.686 -10.642 8.102 1.00 5.14 H new ATOM 0 HG3 GLU A 13 1.257 -11.223 7.271 1.00 5.14 H new ATOM 207 N GLU A 14 5.528 -11.583 6.573 1.00 44.33 N ATOM 208 CA GLU A 14 6.575 -10.556 6.511 1.00 10.33 C ATOM 209 C GLU A 14 7.135 -10.419 5.084 1.00 43.21 C ATOM 210 O GLU A 14 7.565 -9.341 4.676 1.00 51.24 O ATOM 211 CB GLU A 14 7.706 -10.878 7.498 1.00 5.05 C ATOM 212 CG GLU A 14 8.740 -9.762 7.645 1.00 25.31 C ATOM 213 CD GLU A 14 9.786 -10.063 8.709 1.00 3.02 C ATOM 214 OE1 GLU A 14 9.408 -10.222 9.889 1.00 1.23 O ATOM 215 OE2 GLU A 14 10.990 -10.124 8.375 1.00 62.21 O ATOM 0 H GLU A 14 5.797 -12.434 7.067 1.00 44.33 H new ATOM 0 HA GLU A 14 6.125 -9.604 6.792 1.00 10.33 H new ATOM 0 HB2 GLU A 14 7.272 -11.088 8.476 1.00 5.05 H new ATOM 0 HB3 GLU A 14 8.211 -11.787 7.171 1.00 5.05 H new ATOM 0 HG2 GLU A 14 9.237 -9.605 6.688 1.00 25.31 H new ATOM 0 HG3 GLU A 14 8.230 -8.832 7.896 1.00 25.31 H new ATOM 222 N ALA A 15 7.116 -11.513 4.323 1.00 25.15 N ATOM 223 CA ALA A 15 7.603 -11.495 2.937 1.00 2.43 C ATOM 224 C ALA A 15 6.758 -10.559 2.058 1.00 31.34 C ATOM 225 O ALA A 15 7.293 -9.736 1.317 1.00 31.11 O ATOM 226 CB ALA A 15 7.614 -12.906 2.358 1.00 44.32 C ATOM 0 H ALA A 15 6.771 -12.420 4.637 1.00 25.15 H new ATOM 0 HA ALA A 15 8.623 -11.112 2.946 1.00 2.43 H new ATOM 0 HB1 ALA A 15 7.977 -12.875 1.331 1.00 44.32 H new ATOM 0 HB2 ALA A 15 8.269 -13.539 2.956 1.00 44.32 H new ATOM 0 HB3 ALA A 15 6.603 -13.313 2.373 1.00 44.32 H new ATOM 232 N ARG A 16 5.433 -10.689 2.145 1.00 60.14 N ATOM 233 CA ARG A 16 4.529 -9.797 1.409 1.00 45.04 C ATOM 234 C ARG A 16 4.649 -8.354 1.933 1.00 52.34 C ATOM 235 O ARG A 16 4.494 -7.389 1.181 1.00 51.14 O ATOM 236 CB ARG A 16 3.076 -10.301 1.487 1.00 22.25 C ATOM 237 CG ARG A 16 2.429 -10.149 2.859 1.00 64.14 C ATOM 238 CD ARG A 16 1.102 -10.898 2.954 1.00 21.00 C ATOM 239 NE ARG A 16 0.185 -10.567 1.865 1.00 44.01 N ATOM 240 CZ ARG A 16 -1.107 -10.749 1.914 1.00 74.00 C ATOM 241 NH1 ARG A 16 -1.676 -11.191 2.994 1.00 62.55 N ATOM 242 NH2 ARG A 16 -1.832 -10.490 0.878 1.00 74.02 N ATOM 0 H ARG A 16 4.963 -11.395 2.711 1.00 60.14 H new ATOM 0 HA ARG A 16 4.823 -9.799 0.359 1.00 45.04 H new ATOM 0 HB2 ARG A 16 2.477 -9.760 0.754 1.00 22.25 H new ATOM 0 HB3 ARG A 16 3.054 -11.353 1.203 1.00 22.25 H new ATOM 0 HG2 ARG A 16 3.110 -10.521 3.624 1.00 64.14 H new ATOM 0 HG3 ARG A 16 2.264 -9.092 3.066 1.00 64.14 H new ATOM 0 HD2 ARG A 16 1.294 -11.971 2.947 1.00 21.00 H new ATOM 0 HD3 ARG A 16 0.626 -10.665 3.907 1.00 21.00 H new ATOM 0 HE ARG A 16 0.579 -10.169 1.013 1.00 44.01 H new ATOM 0 HH11 ARG A 16 -1.113 -11.401 3.818 1.00 62.55 H new ATOM 0 HH12 ARG A 16 -2.686 -11.329 3.018 1.00 62.55 H new ATOM 0 HH21 ARG A 16 -1.395 -10.144 0.024 1.00 74.02 H new ATOM 0 HH22 ARG A 16 -2.842 -10.631 0.914 1.00 74.02 H new ATOM 256 N LEU A 17 4.925 -8.225 3.235 1.00 63.23 N ATOM 257 CA LEU A 17 5.227 -6.926 3.846 1.00 30.11 C ATOM 258 C LEU A 17 6.473 -6.291 3.200 1.00 45.42 C ATOM 259 O LEU A 17 6.507 -5.083 2.947 1.00 4.13 O ATOM 260 CB LEU A 17 5.439 -7.098 5.360 1.00 30.31 C ATOM 261 CG LEU A 17 5.920 -5.848 6.118 1.00 1.23 C ATOM 262 CD1 LEU A 17 4.910 -4.715 5.992 1.00 31.25 C ATOM 263 CD2 LEU A 17 6.186 -6.178 7.588 1.00 3.33 C ATOM 0 H LEU A 17 4.945 -9.008 3.888 1.00 63.23 H new ATOM 0 HA LEU A 17 4.382 -6.259 3.677 1.00 30.11 H new ATOM 0 HB2 LEU A 17 4.500 -7.429 5.803 1.00 30.31 H new ATOM 0 HB3 LEU A 17 6.165 -7.896 5.517 1.00 30.31 H new ATOM 0 HG LEU A 17 6.856 -5.517 5.668 1.00 1.23 H new ATOM 0 HD11 LEU A 17 5.272 -3.843 6.536 1.00 31.25 H new ATOM 0 HD12 LEU A 17 4.780 -4.459 4.941 1.00 31.25 H new ATOM 0 HD13 LEU A 17 3.954 -5.032 6.409 1.00 31.25 H new ATOM 0 HD21 LEU A 17 6.525 -5.281 8.107 1.00 3.33 H new ATOM 0 HD22 LEU A 17 5.268 -6.540 8.051 1.00 3.33 H new ATOM 0 HD23 LEU A 17 6.954 -6.948 7.655 1.00 3.33 H new ATOM 275 N ASP A 18 7.491 -7.108 2.927 1.00 13.43 N ATOM 276 CA ASP A 18 8.705 -6.629 2.261 1.00 53.23 C ATOM 277 C ASP A 18 8.398 -6.162 0.825 1.00 51.54 C ATOM 278 O ASP A 18 8.969 -5.184 0.350 1.00 20.32 O ATOM 279 CB ASP A 18 9.786 -7.716 2.259 1.00 72.11 C ATOM 280 CG ASP A 18 11.098 -7.231 1.655 1.00 0.53 C ATOM 281 OD1 ASP A 18 11.782 -6.395 2.289 1.00 12.42 O ATOM 282 OD2 ASP A 18 11.457 -7.687 0.552 1.00 43.21 O ATOM 0 H ASP A 18 7.500 -8.102 3.156 1.00 13.43 H new ATOM 0 HA ASP A 18 9.082 -5.773 2.820 1.00 53.23 H new ATOM 0 HB2 ASP A 18 9.962 -8.051 3.281 1.00 72.11 H new ATOM 0 HB3 ASP A 18 9.428 -8.579 1.698 1.00 72.11 H new ATOM 287 N ILE A 19 7.484 -6.860 0.143 1.00 75.12 N ATOM 288 CA ILE A 19 7.006 -6.420 -1.175 1.00 22.30 C ATOM 289 C ILE A 19 6.417 -5.002 -1.083 1.00 32.10 C ATOM 290 O ILE A 19 6.744 -4.116 -1.879 1.00 63.04 O ATOM 291 CB ILE A 19 5.920 -7.373 -1.740 1.00 42.23 C ATOM 292 CG1 ILE A 19 6.411 -8.831 -1.741 1.00 41.34 C ATOM 293 CG2 ILE A 19 5.510 -6.947 -3.152 1.00 31.01 C ATOM 294 CD1 ILE A 19 5.337 -9.828 -2.132 1.00 53.03 C ATOM 0 H ILE A 19 7.062 -7.726 0.477 1.00 75.12 H new ATOM 0 HA ILE A 19 7.865 -6.429 -1.847 1.00 22.30 H new ATOM 0 HB ILE A 19 5.047 -7.309 -1.091 1.00 42.23 H new ATOM 0 HG12 ILE A 19 7.250 -8.923 -2.430 1.00 41.34 H new ATOM 0 HG13 ILE A 19 6.785 -9.081 -0.748 1.00 41.34 H new ATOM 0 HG21 ILE A 19 4.748 -7.628 -3.531 1.00 31.01 H new ATOM 0 HG22 ILE A 19 5.110 -5.933 -3.124 1.00 31.01 H new ATOM 0 HG23 ILE A 19 6.380 -6.976 -3.808 1.00 31.01 H new ATOM 0 HD11 ILE A 19 5.752 -10.836 -2.112 1.00 53.03 H new ATOM 0 HD12 ILE A 19 4.507 -9.763 -1.429 1.00 53.03 H new ATOM 0 HD13 ILE A 19 4.980 -9.603 -3.137 1.00 53.03 H new ATOM 306 N LEU A 20 5.542 -4.802 -0.097 1.00 43.41 N ATOM 307 CA LEU A 20 4.981 -3.478 0.200 1.00 45.30 C ATOM 308 C LEU A 20 6.100 -2.449 0.421 1.00 2.12 C ATOM 309 O LEU A 20 6.008 -1.307 -0.035 1.00 62.41 O ATOM 310 CB LEU A 20 4.075 -3.566 1.435 1.00 21.41 C ATOM 311 CG LEU A 20 2.779 -4.376 1.231 1.00 13.10 C ATOM 312 CD1 LEU A 20 2.191 -4.814 2.567 1.00 62.32 C ATOM 313 CD2 LEU A 20 1.755 -3.568 0.437 1.00 52.40 C ATOM 0 H LEU A 20 5.203 -5.544 0.515 1.00 43.41 H new ATOM 0 HA LEU A 20 4.387 -3.148 -0.652 1.00 45.30 H new ATOM 0 HB2 LEU A 20 4.641 -4.013 2.252 1.00 21.41 H new ATOM 0 HB3 LEU A 20 3.810 -2.556 1.746 1.00 21.41 H new ATOM 0 HG LEU A 20 3.031 -5.270 0.661 1.00 13.10 H new ATOM 0 HD11 LEU A 20 1.278 -5.383 2.393 1.00 62.32 H new ATOM 0 HD12 LEU A 20 2.912 -5.437 3.095 1.00 62.32 H new ATOM 0 HD13 LEU A 20 1.962 -3.935 3.169 1.00 62.32 H new ATOM 0 HD21 LEU A 20 0.849 -4.159 0.305 1.00 52.40 H new ATOM 0 HD22 LEU A 20 1.516 -2.652 0.978 1.00 52.40 H new ATOM 0 HD23 LEU A 20 2.169 -3.315 -0.539 1.00 52.40 H new ATOM 325 N LYS A 21 7.159 -2.869 1.111 1.00 54.31 N ATOM 326 CA LYS A 21 8.344 -2.028 1.299 1.00 62.10 C ATOM 327 C LYS A 21 9.006 -1.694 -0.048 1.00 21.54 C ATOM 328 O LYS A 21 9.298 -0.537 -0.322 1.00 61.34 O ATOM 329 CB LYS A 21 9.359 -2.722 2.221 1.00 24.12 C ATOM 330 CG LYS A 21 8.891 -2.878 3.665 1.00 14.24 C ATOM 331 CD LYS A 21 9.892 -3.678 4.495 1.00 43.33 C ATOM 332 CE LYS A 21 9.505 -3.728 5.969 1.00 32.23 C ATOM 333 NZ LYS A 21 9.557 -2.387 6.610 1.00 24.41 N ATOM 0 H LYS A 21 7.222 -3.787 1.550 1.00 54.31 H new ATOM 0 HA LYS A 21 8.019 -1.098 1.765 1.00 62.10 H new ATOM 0 HB2 LYS A 21 9.585 -3.708 1.816 1.00 24.12 H new ATOM 0 HB3 LYS A 21 10.289 -2.153 2.212 1.00 24.12 H new ATOM 0 HG2 LYS A 21 8.751 -1.894 4.112 1.00 14.24 H new ATOM 0 HG3 LYS A 21 7.922 -3.376 3.683 1.00 14.24 H new ATOM 0 HD2 LYS A 21 9.958 -4.693 4.103 1.00 43.33 H new ATOM 0 HD3 LYS A 21 10.882 -3.233 4.396 1.00 43.33 H new ATOM 0 HE2 LYS A 21 8.499 -4.136 6.065 1.00 32.23 H new ATOM 0 HE3 LYS A 21 10.176 -4.407 6.496 1.00 32.23 H new ATOM 0 HZ1 LYS A 21 9.505 -2.494 7.643 1.00 24.41 H new ATOM 0 HZ2 LYS A 21 10.448 -1.915 6.355 1.00 24.41 H new ATOM 0 HZ3 LYS A 21 8.755 -1.813 6.280 1.00 24.41 H new ATOM 347 N ILE A 22 9.220 -2.708 -0.892 1.00 31.11 N ATOM 348 CA ILE A 22 9.867 -2.520 -2.204 1.00 55.10 C ATOM 349 C ILE A 22 9.235 -1.356 -2.986 1.00 72.22 C ATOM 350 O ILE A 22 9.931 -0.556 -3.620 1.00 71.21 O ATOM 351 CB ILE A 22 9.786 -3.812 -3.066 1.00 64.02 C ATOM 352 CG1 ILE A 22 10.522 -4.971 -2.370 1.00 33.55 C ATOM 353 CG2 ILE A 22 10.357 -3.572 -4.467 1.00 23.13 C ATOM 354 CD1 ILE A 22 10.465 -6.283 -3.130 1.00 22.14 C ATOM 0 H ILE A 22 8.955 -3.673 -0.693 1.00 31.11 H new ATOM 0 HA ILE A 22 10.913 -2.286 -2.003 1.00 55.10 H new ATOM 0 HB ILE A 22 8.736 -4.085 -3.173 1.00 64.02 H new ATOM 0 HG12 ILE A 22 11.566 -4.691 -2.227 1.00 33.55 H new ATOM 0 HG13 ILE A 22 10.092 -5.118 -1.379 1.00 33.55 H new ATOM 0 HG21 ILE A 22 10.289 -4.490 -5.050 1.00 23.13 H new ATOM 0 HG22 ILE A 22 9.788 -2.785 -4.962 1.00 23.13 H new ATOM 0 HG23 ILE A 22 11.401 -3.269 -4.387 1.00 23.13 H new ATOM 0 HD11 ILE A 22 11.006 -7.049 -2.575 1.00 22.14 H new ATOM 0 HD12 ILE A 22 9.426 -6.589 -3.251 1.00 22.14 H new ATOM 0 HD13 ILE A 22 10.922 -6.155 -4.111 1.00 22.14 H new ATOM 366 N HIS A 23 7.913 -1.261 -2.929 1.00 53.31 N ATOM 367 CA HIS A 23 7.192 -0.175 -3.598 1.00 5.24 C ATOM 368 C HIS A 23 7.263 1.135 -2.787 1.00 73.12 C ATOM 369 O HIS A 23 7.514 2.207 -3.340 1.00 72.43 O ATOM 370 CB HIS A 23 5.731 -0.587 -3.827 1.00 32.11 C ATOM 371 CG HIS A 23 5.582 -1.755 -4.759 1.00 44.53 C ATOM 372 ND1 HIS A 23 5.040 -1.654 -6.020 1.00 63.44 N ATOM 373 CD2 HIS A 23 5.913 -3.060 -4.606 1.00 24.31 C ATOM 374 CE1 HIS A 23 5.044 -2.837 -6.600 1.00 24.40 C ATOM 375 NE2 HIS A 23 5.567 -3.707 -5.764 1.00 70.35 N ATOM 0 H HIS A 23 7.315 -1.919 -2.429 1.00 53.31 H new ATOM 0 HA HIS A 23 7.670 0.010 -4.560 1.00 5.24 H new ATOM 0 HB2 HIS A 23 5.276 -0.836 -2.868 1.00 32.11 H new ATOM 0 HB3 HIS A 23 5.180 0.263 -4.230 1.00 32.11 H new ATOM 0 HD1 HIS A 23 4.689 -0.794 -6.441 1.00 63.44 H new ATOM 0 HD2 HIS A 23 6.366 -3.508 -3.733 1.00 24.31 H new ATOM 0 HE1 HIS A 23 4.680 -3.055 -7.593 1.00 24.40 H new ATOM 384 N SER A 24 7.068 1.029 -1.473 1.00 11.44 N ATOM 385 CA SER A 24 7.043 2.205 -0.583 1.00 42.24 C ATOM 386 C SER A 24 8.423 2.872 -0.442 1.00 22.40 C ATOM 387 O SER A 24 8.512 4.073 -0.194 1.00 3.41 O ATOM 388 CB SER A 24 6.523 1.807 0.804 1.00 20.52 C ATOM 389 OG SER A 24 5.209 1.278 0.728 1.00 25.41 O ATOM 0 H SER A 24 6.924 0.140 -0.993 1.00 11.44 H new ATOM 0 HA SER A 24 6.373 2.932 -1.041 1.00 42.24 H new ATOM 0 HB2 SER A 24 7.190 1.068 1.247 1.00 20.52 H new ATOM 0 HB3 SER A 24 6.530 2.677 1.461 1.00 20.52 H new ATOM 0 HG SER A 24 5.249 0.345 0.431 1.00 25.41 H new ATOM 395 N ARG A 25 9.496 2.097 -0.613 1.00 51.42 N ATOM 396 CA ARG A 25 10.870 2.608 -0.455 1.00 73.03 C ATOM 397 C ARG A 25 11.175 3.765 -1.422 1.00 52.11 C ATOM 398 O ARG A 25 12.036 4.605 -1.146 1.00 54.21 O ATOM 399 CB ARG A 25 11.893 1.476 -0.666 1.00 3.43 C ATOM 400 CG ARG A 25 11.960 0.462 0.478 1.00 52.41 C ATOM 401 CD ARG A 25 12.836 -0.741 0.125 1.00 14.13 C ATOM 402 NE ARG A 25 12.853 -1.753 1.184 1.00 13.23 N ATOM 403 CZ ARG A 25 12.748 -3.044 0.977 1.00 33.45 C ATOM 404 NH1 ARG A 25 12.648 -3.516 -0.227 1.00 50.53 N ATOM 405 NH2 ARG A 25 12.753 -3.860 1.980 1.00 71.34 N ATOM 0 H ARG A 25 9.445 1.109 -0.862 1.00 51.42 H new ATOM 0 HA ARG A 25 10.951 2.992 0.562 1.00 73.03 H new ATOM 0 HB2 ARG A 25 11.648 0.949 -1.588 1.00 3.43 H new ATOM 0 HB3 ARG A 25 12.881 1.916 -0.803 1.00 3.43 H new ATOM 0 HG2 ARG A 25 12.354 0.948 1.371 1.00 52.41 H new ATOM 0 HG3 ARG A 25 10.954 0.120 0.719 1.00 52.41 H new ATOM 0 HD2 ARG A 25 12.473 -1.192 -0.798 1.00 14.13 H new ATOM 0 HD3 ARG A 25 13.854 -0.402 -0.065 1.00 14.13 H new ATOM 0 HE ARG A 25 12.953 -1.432 2.147 1.00 13.23 H new ATOM 0 HH11 ARG A 25 12.650 -2.881 -1.025 1.00 50.53 H new ATOM 0 HH12 ARG A 25 12.567 -4.522 -0.375 1.00 50.53 H new ATOM 0 HH21 ARG A 25 12.838 -3.499 2.930 1.00 71.34 H new ATOM 0 HH22 ARG A 25 12.671 -4.864 1.821 1.00 71.34 H new ATOM 419 N LYS A 26 10.468 3.808 -2.551 1.00 61.15 N ATOM 420 CA LYS A 26 10.685 4.849 -3.566 1.00 65.03 C ATOM 421 C LYS A 26 9.715 6.038 -3.397 1.00 50.34 C ATOM 422 O LYS A 26 9.707 6.964 -4.211 1.00 21.23 O ATOM 423 CB LYS A 26 10.550 4.248 -4.972 1.00 44.11 C ATOM 424 CG LYS A 26 11.617 3.200 -5.299 1.00 12.01 C ATOM 425 CD LYS A 26 11.478 2.668 -6.727 1.00 41.41 C ATOM 426 CE LYS A 26 10.216 1.831 -6.909 1.00 35.11 C ATOM 427 NZ LYS A 26 10.278 0.550 -6.153 1.00 10.42 N ATOM 0 H LYS A 26 9.739 3.136 -2.790 1.00 61.15 H new ATOM 0 HA LYS A 26 11.696 5.234 -3.430 1.00 65.03 H new ATOM 0 HB2 LYS A 26 9.564 3.793 -5.070 1.00 44.11 H new ATOM 0 HB3 LYS A 26 10.605 5.051 -5.707 1.00 44.11 H new ATOM 0 HG2 LYS A 26 12.607 3.638 -5.170 1.00 12.01 H new ATOM 0 HG3 LYS A 26 11.540 2.372 -4.594 1.00 12.01 H new ATOM 0 HD2 LYS A 26 11.461 3.505 -7.425 1.00 41.41 H new ATOM 0 HD3 LYS A 26 12.351 2.065 -6.975 1.00 41.41 H new ATOM 0 HE2 LYS A 26 9.350 2.405 -6.578 1.00 35.11 H new ATOM 0 HE3 LYS A 26 10.072 1.619 -7.968 1.00 35.11 H new ATOM 0 HZ1 LYS A 26 9.616 -0.133 -6.573 1.00 10.42 H new ATOM 0 HZ2 LYS A 26 11.244 0.168 -6.196 1.00 10.42 H new ATOM 0 HZ3 LYS A 26 10.017 0.720 -5.161 1.00 10.42 H new ATOM 441 N MET A 27 8.910 6.015 -2.336 1.00 23.31 N ATOM 442 CA MET A 27 7.973 7.112 -2.038 1.00 21.05 C ATOM 443 C MET A 27 8.142 7.611 -0.594 1.00 50.13 C ATOM 444 O MET A 27 8.862 7.007 0.204 1.00 42.35 O ATOM 445 CB MET A 27 6.518 6.664 -2.261 1.00 53.51 C ATOM 446 CG MET A 27 6.198 6.264 -3.697 1.00 25.03 C ATOM 447 SD MET A 27 4.430 6.001 -3.970 1.00 41.22 S ATOM 448 CE MET A 27 4.081 4.681 -2.805 1.00 65.31 C ATOM 0 H MET A 27 8.883 5.249 -1.663 1.00 23.31 H new ATOM 0 HA MET A 27 8.203 7.931 -2.720 1.00 21.05 H new ATOM 0 HB2 MET A 27 6.305 5.820 -1.605 1.00 53.51 H new ATOM 0 HB3 MET A 27 5.851 7.474 -1.965 1.00 53.51 H new ATOM 0 HG2 MET A 27 6.555 7.040 -4.374 1.00 25.03 H new ATOM 0 HG3 MET A 27 6.740 5.351 -3.945 1.00 25.03 H new ATOM 0 HE1 MET A 27 3.092 4.270 -3.007 1.00 65.31 H new ATOM 0 HE2 MET A 27 4.829 3.895 -2.910 1.00 65.31 H new ATOM 0 HE3 MET A 27 4.110 5.075 -1.789 1.00 65.31 H new ATOM 458 N ASN A 28 7.480 8.720 -0.265 1.00 11.11 N ATOM 459 CA ASN A 28 7.501 9.259 1.102 1.00 22.32 C ATOM 460 C ASN A 28 6.322 8.724 1.925 1.00 74.20 C ATOM 461 O ASN A 28 5.164 8.911 1.558 1.00 64.43 O ATOM 462 CB ASN A 28 7.450 10.790 1.084 1.00 3.23 C ATOM 463 CG ASN A 28 8.641 11.402 0.379 1.00 30.32 C ATOM 464 OD1 ASN A 28 9.682 11.646 0.983 1.00 2.34 O ATOM 465 ND2 ASN A 28 8.497 11.666 -0.903 1.00 11.13 N ATOM 0 H ASN A 28 6.922 9.265 -0.923 1.00 11.11 H new ATOM 0 HA ASN A 28 8.433 8.935 1.565 1.00 22.32 H new ATOM 0 HB2 ASN A 28 6.534 11.114 0.590 1.00 3.23 H new ATOM 0 HB3 ASN A 28 7.408 11.161 2.108 1.00 3.23 H new ATOM 0 HD21 ASN A 28 9.265 12.087 -1.426 1.00 11.13 H new ATOM 0 HD22 ASN A 28 7.618 11.450 -1.373 1.00 11.13 H new ATOM 472 N LEU A 29 6.617 8.059 3.035 1.00 22.01 N ATOM 473 CA LEU A 29 5.576 7.546 3.932 1.00 74.25 C ATOM 474 C LEU A 29 5.340 8.501 5.115 1.00 3.24 C ATOM 475 O LEU A 29 6.166 9.370 5.403 1.00 71.02 O ATOM 476 CB LEU A 29 5.963 6.156 4.453 1.00 33.15 C ATOM 477 CG LEU A 29 6.203 5.087 3.371 1.00 72.34 C ATOM 478 CD1 LEU A 29 6.636 3.765 4.001 1.00 5.42 C ATOM 479 CD2 LEU A 29 4.953 4.891 2.516 1.00 45.22 C ATOM 0 H LEU A 29 7.569 7.859 3.341 1.00 22.01 H new ATOM 0 HA LEU A 29 4.649 7.472 3.363 1.00 74.25 H new ATOM 0 HB2 LEU A 29 6.868 6.251 5.053 1.00 33.15 H new ATOM 0 HB3 LEU A 29 5.175 5.804 5.119 1.00 33.15 H new ATOM 0 HG LEU A 29 7.008 5.436 2.724 1.00 72.34 H new ATOM 0 HD11 LEU A 29 6.800 3.025 3.218 1.00 5.42 H new ATOM 0 HD12 LEU A 29 7.561 3.913 4.559 1.00 5.42 H new ATOM 0 HD13 LEU A 29 5.857 3.412 4.677 1.00 5.42 H new ATOM 0 HD21 LEU A 29 5.146 4.131 1.758 1.00 45.22 H new ATOM 0 HD22 LEU A 29 4.126 4.570 3.149 1.00 45.22 H new ATOM 0 HD23 LEU A 29 4.694 5.831 2.029 1.00 45.22 H new ATOM 491 N THR A 30 4.204 8.339 5.791 1.00 11.35 N ATOM 492 CA THR A 30 3.875 9.153 6.975 1.00 54.23 C ATOM 493 C THR A 30 4.796 8.825 8.173 1.00 2.15 C ATOM 494 O THR A 30 5.752 8.059 8.044 1.00 30.43 O ATOM 495 CB THR A 30 2.395 8.961 7.390 1.00 2.14 C ATOM 496 OG1 THR A 30 2.070 9.806 8.505 1.00 62.04 O ATOM 497 CG2 THR A 30 2.110 7.509 7.748 1.00 3.31 C ATOM 0 H THR A 30 3.491 7.653 5.544 1.00 11.35 H new ATOM 0 HA THR A 30 4.035 10.194 6.694 1.00 54.23 H new ATOM 0 HB THR A 30 1.774 9.238 6.538 1.00 2.14 H new ATOM 0 HG1 THR A 30 1.131 9.674 8.753 1.00 62.04 H new ATOM 0 HG21 THR A 30 1.064 7.404 8.035 1.00 3.31 H new ATOM 0 HG22 THR A 30 2.315 6.875 6.886 1.00 3.31 H new ATOM 0 HG23 THR A 30 2.747 7.208 8.580 1.00 3.31 H new ATOM 505 N ARG A 31 4.503 9.403 9.338 1.00 21.15 N ATOM 506 CA ARG A 31 5.367 9.263 10.521 1.00 11.41 C ATOM 507 C ARG A 31 5.193 7.907 11.227 1.00 30.34 C ATOM 508 O ARG A 31 6.115 7.423 11.888 1.00 54.22 O ATOM 509 CB ARG A 31 5.085 10.408 11.505 1.00 64.41 C ATOM 510 CG ARG A 31 5.185 11.793 10.870 1.00 64.02 C ATOM 511 CD ARG A 31 6.569 12.049 10.284 1.00 52.52 C ATOM 512 NE ARG A 31 6.597 13.252 9.453 1.00 20.10 N ATOM 513 CZ ARG A 31 7.327 13.384 8.379 1.00 62.14 C ATOM 514 NH1 ARG A 31 8.142 12.443 8.018 1.00 63.24 N ATOM 515 NH2 ARG A 31 7.250 14.469 7.677 1.00 65.31 N ATOM 0 H ARG A 31 3.673 9.975 9.493 1.00 21.15 H new ATOM 0 HA ARG A 31 6.400 9.310 10.176 1.00 11.41 H new ATOM 0 HB2 ARG A 31 4.087 10.280 11.923 1.00 64.41 H new ATOM 0 HB3 ARG A 31 5.789 10.345 12.335 1.00 64.41 H new ATOM 0 HG2 ARG A 31 4.435 11.888 10.085 1.00 64.02 H new ATOM 0 HG3 ARG A 31 4.961 12.553 11.619 1.00 64.02 H new ATOM 0 HD2 ARG A 31 7.292 12.150 11.093 1.00 52.52 H new ATOM 0 HD3 ARG A 31 6.875 11.189 9.688 1.00 52.52 H new ATOM 0 HE ARG A 31 6.009 14.038 9.730 1.00 20.10 H new ATOM 0 HH11 ARG A 31 8.216 11.591 8.575 1.00 63.24 H new ATOM 0 HH12 ARG A 31 8.709 12.554 7.177 1.00 63.24 H new ATOM 0 HH21 ARG A 31 6.620 15.218 7.964 1.00 65.31 H new ATOM 0 HH22 ARG A 31 7.819 14.575 6.837 1.00 65.31 H new ATOM 529 N GLY A 32 4.013 7.304 11.095 1.00 14.11 N ATOM 530 CA GLY A 32 3.759 5.995 11.695 1.00 13.52 C ATOM 531 C GLY A 32 2.838 5.123 10.849 1.00 55.13 C ATOM 532 O GLY A 32 1.676 4.904 11.199 1.00 61.15 O ATOM 0 H GLY A 32 3.223 7.697 10.582 1.00 14.11 H new ATOM 0 HA2 GLY A 32 4.707 5.478 11.841 1.00 13.52 H new ATOM 0 HA3 GLY A 32 3.316 6.133 12.681 1.00 13.52 H new ATOM 536 N ILE A 33 3.354 4.626 9.727 1.00 33.43 N ATOM 537 CA ILE A 33 2.557 3.784 8.822 1.00 70.22 C ATOM 538 C ILE A 33 2.750 2.280 9.101 1.00 62.42 C ATOM 539 O ILE A 33 3.874 1.777 9.141 1.00 3.33 O ATOM 540 CB ILE A 33 2.889 4.086 7.334 1.00 24.13 C ATOM 541 CG1 ILE A 33 1.995 3.259 6.393 1.00 65.34 C ATOM 542 CG2 ILE A 33 4.366 3.834 7.039 1.00 23.22 C ATOM 543 CD1 ILE A 33 2.193 3.587 4.928 1.00 64.34 C ATOM 0 H ILE A 33 4.313 4.787 9.419 1.00 33.43 H new ATOM 0 HA ILE A 33 1.513 4.031 9.013 1.00 70.22 H new ATOM 0 HB ILE A 33 2.686 5.142 7.154 1.00 24.13 H new ATOM 0 HG12 ILE A 33 2.198 2.200 6.550 1.00 65.34 H new ATOM 0 HG13 ILE A 33 0.951 3.427 6.657 1.00 65.34 H new ATOM 0 HG21 ILE A 33 4.570 4.053 5.991 1.00 23.22 H new ATOM 0 HG22 ILE A 33 4.978 4.478 7.670 1.00 23.22 H new ATOM 0 HG23 ILE A 33 4.605 2.791 7.245 1.00 23.22 H new ATOM 0 HD11 ILE A 33 1.531 2.967 4.324 1.00 64.34 H new ATOM 0 HD12 ILE A 33 1.962 4.638 4.756 1.00 64.34 H new ATOM 0 HD13 ILE A 33 3.228 3.392 4.648 1.00 64.34 H new ATOM 555 N ASN A 34 1.645 1.564 9.298 1.00 0.15 N ATOM 556 CA ASN A 34 1.692 0.109 9.493 1.00 60.14 C ATOM 557 C ASN A 34 1.270 -0.624 8.206 1.00 51.21 C ATOM 558 O ASN A 34 0.077 -0.796 7.936 1.00 61.23 O ATOM 559 CB ASN A 34 0.788 -0.308 10.669 1.00 65.00 C ATOM 560 CG ASN A 34 0.978 -1.767 11.069 1.00 42.51 C ATOM 561 OD1 ASN A 34 1.378 -2.598 10.264 1.00 30.24 O ATOM 562 ND2 ASN A 34 0.682 -2.094 12.311 1.00 54.02 N ATOM 0 H ASN A 34 0.707 1.962 9.327 1.00 0.15 H new ATOM 0 HA ASN A 34 2.718 -0.172 9.729 1.00 60.14 H new ATOM 0 HB2 ASN A 34 0.998 0.330 11.527 1.00 65.00 H new ATOM 0 HB3 ASN A 34 -0.254 -0.143 10.397 1.00 65.00 H new ATOM 0 HD21 ASN A 34 0.784 -3.060 12.622 1.00 54.02 H new ATOM 0 HD22 ASN A 34 0.351 -1.381 12.961 1.00 54.02 H new ATOM 569 N LEU A 35 2.258 -1.046 7.415 1.00 75.33 N ATOM 570 CA LEU A 35 2.003 -1.771 6.163 1.00 2.55 C ATOM 571 C LEU A 35 1.579 -3.224 6.429 1.00 13.32 C ATOM 572 O LEU A 35 0.875 -3.834 5.624 1.00 41.11 O ATOM 573 CB LEU A 35 3.252 -1.739 5.267 1.00 3.23 C ATOM 574 CG LEU A 35 3.623 -0.359 4.698 1.00 3.41 C ATOM 575 CD1 LEU A 35 4.937 -0.430 3.921 1.00 22.20 C ATOM 576 CD2 LEU A 35 2.498 0.169 3.810 1.00 20.53 C ATOM 0 H LEU A 35 3.247 -0.899 7.618 1.00 75.33 H new ATOM 0 HA LEU A 35 1.181 -1.272 5.650 1.00 2.55 H new ATOM 0 HB2 LEU A 35 4.099 -2.116 5.840 1.00 3.23 H new ATOM 0 HB3 LEU A 35 3.099 -2.427 4.435 1.00 3.23 H new ATOM 0 HG LEU A 35 3.759 0.332 5.530 1.00 3.41 H new ATOM 0 HD11 LEU A 35 5.181 0.557 3.527 1.00 22.20 H new ATOM 0 HD12 LEU A 35 5.735 -0.763 4.585 1.00 22.20 H new ATOM 0 HD13 LEU A 35 4.834 -1.135 3.096 1.00 22.20 H new ATOM 0 HD21 LEU A 35 2.775 1.146 3.415 1.00 20.53 H new ATOM 0 HD22 LEU A 35 2.331 -0.523 2.984 1.00 20.53 H new ATOM 0 HD23 LEU A 35 1.584 0.261 4.397 1.00 20.53 H new ATOM 588 N ARG A 36 2.005 -3.770 7.564 1.00 71.41 N ATOM 589 CA ARG A 36 1.643 -5.140 7.946 1.00 12.02 C ATOM 590 C ARG A 36 0.126 -5.258 8.162 1.00 61.44 C ATOM 591 O ARG A 36 -0.498 -6.226 7.729 1.00 63.22 O ATOM 592 CB ARG A 36 2.408 -5.549 9.212 1.00 1.03 C ATOM 593 CG ARG A 36 2.320 -7.036 9.540 1.00 51.54 C ATOM 594 CD ARG A 36 3.212 -7.406 10.722 1.00 71.02 C ATOM 595 NE ARG A 36 3.295 -8.852 10.921 1.00 2.23 N ATOM 596 CZ ARG A 36 4.324 -9.457 11.439 1.00 65.22 C ATOM 597 NH1 ARG A 36 5.359 -8.785 11.825 1.00 41.30 N ATOM 598 NH2 ARG A 36 4.317 -10.741 11.566 1.00 1.30 N ATOM 0 H ARG A 36 2.601 -3.289 8.238 1.00 71.41 H new ATOM 0 HA ARG A 36 1.920 -5.817 7.138 1.00 12.02 H new ATOM 0 HB2 ARG A 36 3.457 -5.275 9.094 1.00 1.03 H new ATOM 0 HB3 ARG A 36 2.023 -4.978 10.057 1.00 1.03 H new ATOM 0 HG2 ARG A 36 1.287 -7.298 9.768 1.00 51.54 H new ATOM 0 HG3 ARG A 36 2.612 -7.619 8.667 1.00 51.54 H new ATOM 0 HD2 ARG A 36 4.213 -7.006 10.559 1.00 71.02 H new ATOM 0 HD3 ARG A 36 2.825 -6.938 11.627 1.00 71.02 H new ATOM 0 HE ARG A 36 2.498 -9.421 10.636 1.00 2.23 H new ATOM 0 HH11 ARG A 36 5.374 -7.770 11.725 1.00 41.30 H new ATOM 0 HH12 ARG A 36 6.160 -9.270 12.230 1.00 41.30 H new ATOM 0 HH21 ARG A 36 3.506 -11.279 11.261 1.00 1.30 H new ATOM 0 HH22 ARG A 36 5.122 -11.218 11.972 1.00 1.30 H new ATOM 612 N LYS A 37 -0.458 -4.255 8.816 1.00 24.11 N ATOM 613 CA LYS A 37 -1.916 -4.175 8.986 1.00 52.23 C ATOM 614 C LYS A 37 -2.612 -4.193 7.619 1.00 74.11 C ATOM 615 O LYS A 37 -3.657 -4.818 7.447 1.00 71.24 O ATOM 616 CB LYS A 37 -2.278 -2.901 9.780 1.00 43.14 C ATOM 617 CG LYS A 37 -3.756 -2.755 10.161 1.00 32.21 C ATOM 618 CD LYS A 37 -4.575 -2.030 9.087 1.00 74.22 C ATOM 619 CE LYS A 37 -5.927 -1.572 9.632 1.00 41.11 C ATOM 620 NZ LYS A 37 -6.745 -0.844 8.619 1.00 3.23 N ATOM 0 H LYS A 37 0.055 -3.482 9.240 1.00 24.11 H new ATOM 0 HA LYS A 37 -2.263 -5.042 9.549 1.00 52.23 H new ATOM 0 HB2 LYS A 37 -1.683 -2.882 10.693 1.00 43.14 H new ATOM 0 HB3 LYS A 37 -1.986 -2.032 9.191 1.00 43.14 H new ATOM 0 HG2 LYS A 37 -4.182 -3.744 10.332 1.00 32.21 H new ATOM 0 HG3 LYS A 37 -3.832 -2.208 11.101 1.00 32.21 H new ATOM 0 HD2 LYS A 37 -4.017 -1.168 8.722 1.00 74.22 H new ATOM 0 HD3 LYS A 37 -4.730 -2.693 8.236 1.00 74.22 H new ATOM 0 HE2 LYS A 37 -6.484 -2.440 9.985 1.00 41.11 H new ATOM 0 HE3 LYS A 37 -5.765 -0.925 10.494 1.00 41.11 H new ATOM 0 HZ1 LYS A 37 -7.316 -0.115 9.093 1.00 3.23 H new ATOM 0 HZ2 LYS A 37 -6.116 -0.394 7.923 1.00 3.23 H new ATOM 0 HZ3 LYS A 37 -7.374 -1.515 8.134 1.00 3.23 H new ATOM 634 N ILE A 38 -2.004 -3.515 6.645 1.00 4.34 N ATOM 635 CA ILE A 38 -2.504 -3.502 5.267 1.00 51.31 C ATOM 636 C ILE A 38 -2.445 -4.910 4.647 1.00 1.55 C ATOM 637 O ILE A 38 -3.393 -5.365 4.006 1.00 64.22 O ATOM 638 CB ILE A 38 -1.680 -2.518 4.394 1.00 32.14 C ATOM 639 CG1 ILE A 38 -1.673 -1.113 5.019 1.00 31.32 C ATOM 640 CG2 ILE A 38 -2.216 -2.469 2.965 1.00 42.51 C ATOM 641 CD1 ILE A 38 -3.051 -0.514 5.210 1.00 30.10 C ATOM 0 H ILE A 38 -1.158 -2.963 6.785 1.00 4.34 H new ATOM 0 HA ILE A 38 -3.542 -3.172 5.296 1.00 51.31 H new ATOM 0 HB ILE A 38 -0.654 -2.883 4.355 1.00 32.14 H new ATOM 0 HG12 ILE A 38 -1.172 -1.160 5.986 1.00 31.32 H new ATOM 0 HG13 ILE A 38 -1.084 -0.449 4.386 1.00 31.32 H new ATOM 0 HG21 ILE A 38 -1.620 -1.772 2.376 1.00 42.51 H new ATOM 0 HG22 ILE A 38 -2.157 -3.462 2.520 1.00 42.51 H new ATOM 0 HG23 ILE A 38 -3.254 -2.138 2.977 1.00 42.51 H new ATOM 0 HD11 ILE A 38 -2.959 0.477 5.655 1.00 30.10 H new ATOM 0 HD12 ILE A 38 -3.549 -0.432 4.244 1.00 30.10 H new ATOM 0 HD13 ILE A 38 -3.638 -1.154 5.868 1.00 30.10 H new ATOM 653 N ALA A 39 -1.322 -5.598 4.861 1.00 31.14 N ATOM 654 CA ALA A 39 -1.133 -6.966 4.366 1.00 1.34 C ATOM 655 C ALA A 39 -2.137 -7.944 5.001 1.00 51.31 C ATOM 656 O ALA A 39 -2.662 -8.834 4.328 1.00 71.43 O ATOM 657 CB ALA A 39 0.299 -7.423 4.633 1.00 74.22 C ATOM 0 H ALA A 39 -0.524 -5.228 5.377 1.00 31.14 H new ATOM 0 HA ALA A 39 -1.315 -6.963 3.291 1.00 1.34 H new ATOM 0 HB1 ALA A 39 0.432 -8.440 4.263 1.00 74.22 H new ATOM 0 HB2 ALA A 39 0.995 -6.757 4.122 1.00 74.22 H new ATOM 0 HB3 ALA A 39 0.495 -7.399 5.705 1.00 74.22 H new ATOM 663 N GLU A 40 -2.404 -7.766 6.296 1.00 73.22 N ATOM 664 CA GLU A 40 -3.353 -8.619 7.025 1.00 72.33 C ATOM 665 C GLU A 40 -4.799 -8.410 6.541 1.00 51.24 C ATOM 666 O GLU A 40 -5.665 -9.253 6.768 1.00 34.42 O ATOM 667 CB GLU A 40 -3.266 -8.354 8.536 1.00 14.32 C ATOM 668 CG GLU A 40 -1.895 -8.645 9.143 1.00 42.10 C ATOM 669 CD GLU A 40 -1.861 -8.430 10.650 1.00 21.21 C ATOM 670 OE1 GLU A 40 -1.946 -7.266 11.090 1.00 45.12 O ATOM 671 OE2 GLU A 40 -1.769 -9.427 11.401 1.00 11.22 O ATOM 0 H GLU A 40 -1.976 -7.037 6.866 1.00 73.22 H new ATOM 0 HA GLU A 40 -3.077 -9.654 6.824 1.00 72.33 H new ATOM 0 HB2 GLU A 40 -3.522 -7.312 8.726 1.00 14.32 H new ATOM 0 HB3 GLU A 40 -4.013 -8.963 9.044 1.00 14.32 H new ATOM 0 HG2 GLU A 40 -1.615 -9.675 8.921 1.00 42.10 H new ATOM 0 HG3 GLU A 40 -1.150 -8.004 8.672 1.00 42.10 H new ATOM 678 N LEU A 41 -5.054 -7.278 5.882 1.00 71.51 N ATOM 679 CA LEU A 41 -6.373 -7.005 5.297 1.00 30.22 C ATOM 680 C LEU A 41 -6.594 -7.823 4.017 1.00 51.44 C ATOM 681 O LEU A 41 -7.707 -7.898 3.499 1.00 71.30 O ATOM 682 CB LEU A 41 -6.525 -5.509 4.985 1.00 35.13 C ATOM 683 CG LEU A 41 -6.464 -4.575 6.203 1.00 64.34 C ATOM 684 CD1 LEU A 41 -6.562 -3.115 5.769 1.00 4.30 C ATOM 685 CD2 LEU A 41 -7.566 -4.920 7.203 1.00 42.40 C ATOM 0 H LEU A 41 -4.369 -6.536 5.739 1.00 71.51 H new ATOM 0 HA LEU A 41 -7.125 -7.298 6.030 1.00 30.22 H new ATOM 0 HB2 LEU A 41 -5.741 -5.219 4.286 1.00 35.13 H new ATOM 0 HB3 LEU A 41 -7.477 -5.355 4.477 1.00 35.13 H new ATOM 0 HG LEU A 41 -5.502 -4.718 6.696 1.00 64.34 H new ATOM 0 HD11 LEU A 41 -6.517 -2.471 6.647 1.00 4.30 H new ATOM 0 HD12 LEU A 41 -5.734 -2.877 5.102 1.00 4.30 H new ATOM 0 HD13 LEU A 41 -7.506 -2.953 5.248 1.00 4.30 H new ATOM 0 HD21 LEU A 41 -7.505 -4.247 8.058 1.00 42.40 H new ATOM 0 HD22 LEU A 41 -8.539 -4.811 6.724 1.00 42.40 H new ATOM 0 HD23 LEU A 41 -7.441 -5.949 7.541 1.00 42.40 H new ATOM 697 N MET A 42 -5.522 -8.429 3.509 1.00 53.15 N ATOM 698 CA MET A 42 -5.592 -9.239 2.290 1.00 53.34 C ATOM 699 C MET A 42 -5.569 -10.745 2.608 1.00 53.33 C ATOM 700 O MET A 42 -4.495 -11.314 2.837 1.00 1.03 O ATOM 701 CB MET A 42 -4.407 -8.920 1.372 1.00 64.45 C ATOM 702 CG MET A 42 -4.202 -7.447 1.073 1.00 12.13 C ATOM 703 SD MET A 42 -2.746 -7.180 0.042 1.00 40.44 S ATOM 704 CE MET A 42 -2.720 -5.395 -0.059 1.00 74.23 C ATOM 0 H MET A 42 -4.591 -8.375 3.923 1.00 53.15 H new ATOM 0 HA MET A 42 -6.532 -8.995 1.796 1.00 53.34 H new ATOM 0 HB2 MET A 42 -3.498 -9.312 1.829 1.00 64.45 H new ATOM 0 HB3 MET A 42 -4.545 -9.450 0.430 1.00 64.45 H new ATOM 0 HG2 MET A 42 -5.084 -7.050 0.570 1.00 12.13 H new ATOM 0 HG3 MET A 42 -4.094 -6.896 2.007 1.00 12.13 H new ATOM 0 HE1 MET A 42 -1.894 -5.079 -0.696 1.00 74.23 H new ATOM 0 HE2 MET A 42 -3.660 -5.041 -0.482 1.00 74.23 H new ATOM 0 HE3 MET A 42 -2.590 -4.976 0.939 1.00 74.23 H new ATOM 714 N PRO A 43 -6.737 -11.420 2.608 1.00 44.02 N ATOM 715 CA PRO A 43 -6.805 -12.880 2.828 1.00 61.01 C ATOM 716 C PRO A 43 -6.004 -13.658 1.768 1.00 74.32 C ATOM 717 O PRO A 43 -5.286 -14.608 2.082 1.00 1.41 O ATOM 718 CB PRO A 43 -8.309 -13.195 2.725 1.00 31.22 C ATOM 719 CG PRO A 43 -8.908 -12.022 2.015 1.00 70.32 C ATOM 720 CD PRO A 43 -8.072 -10.832 2.406 1.00 54.01 C ATOM 0 HA PRO A 43 -6.371 -13.174 3.784 1.00 61.01 H new ATOM 0 HB2 PRO A 43 -8.481 -14.119 2.173 1.00 31.22 H new ATOM 0 HB3 PRO A 43 -8.752 -13.326 3.712 1.00 31.22 H new ATOM 0 HG2 PRO A 43 -8.895 -12.171 0.935 1.00 70.32 H new ATOM 0 HG3 PRO A 43 -9.949 -11.880 2.305 1.00 70.32 H new ATOM 0 HD2 PRO A 43 -8.064 -10.070 1.627 1.00 54.01 H new ATOM 0 HD3 PRO A 43 -8.445 -10.356 3.313 1.00 54.01 H new ATOM 728 N GLY A 44 -6.125 -13.232 0.514 1.00 74.15 N ATOM 729 CA GLY A 44 -5.353 -13.830 -0.567 1.00 20.25 C ATOM 730 C GLY A 44 -4.934 -12.806 -1.618 1.00 74.03 C ATOM 731 O GLY A 44 -5.700 -12.495 -2.528 1.00 52.24 O ATOM 0 H GLY A 44 -6.748 -12.478 0.224 1.00 74.15 H new ATOM 0 HA2 GLY A 44 -4.464 -14.307 -0.154 1.00 20.25 H new ATOM 0 HA3 GLY A 44 -5.944 -14.613 -1.042 1.00 20.25 H new ATOM 735 N ALA A 45 -3.721 -12.271 -1.487 1.00 43.53 N ATOM 736 CA ALA A 45 -3.212 -11.252 -2.419 1.00 13.12 C ATOM 737 C ALA A 45 -1.682 -11.319 -2.534 1.00 51.32 C ATOM 738 O ALA A 45 -0.960 -10.975 -1.593 1.00 71.51 O ATOM 739 CB ALA A 45 -3.652 -9.860 -1.975 1.00 20.24 C ATOM 0 H ALA A 45 -3.068 -12.523 -0.745 1.00 43.53 H new ATOM 0 HA ALA A 45 -3.632 -11.456 -3.404 1.00 13.12 H new ATOM 0 HB1 ALA A 45 -3.268 -9.117 -2.674 1.00 20.24 H new ATOM 0 HB2 ALA A 45 -4.741 -9.811 -1.956 1.00 20.24 H new ATOM 0 HB3 ALA A 45 -3.262 -9.656 -0.978 1.00 20.24 H new ATOM 745 N SER A 46 -1.198 -11.770 -3.689 1.00 14.31 N ATOM 746 CA SER A 46 0.247 -11.914 -3.930 1.00 12.35 C ATOM 747 C SER A 46 0.861 -10.623 -4.491 1.00 64.11 C ATOM 748 O SER A 46 0.212 -9.574 -4.525 1.00 12.25 O ATOM 749 CB SER A 46 0.505 -13.074 -4.903 1.00 34.42 C ATOM 750 OG SER A 46 0.007 -12.783 -6.201 1.00 33.24 O ATOM 0 H SER A 46 -1.782 -12.044 -4.479 1.00 14.31 H new ATOM 0 HA SER A 46 0.722 -12.124 -2.972 1.00 12.35 H new ATOM 0 HB2 SER A 46 1.575 -13.273 -4.959 1.00 34.42 H new ATOM 0 HB3 SER A 46 0.032 -13.980 -4.525 1.00 34.42 H new ATOM 0 HG SER A 46 0.188 -13.539 -6.798 1.00 33.24 H new ATOM 756 N GLY A 47 2.120 -10.708 -4.932 1.00 50.14 N ATOM 757 CA GLY A 47 2.811 -9.544 -5.486 1.00 53.44 C ATOM 758 C GLY A 47 2.034 -8.837 -6.599 1.00 24.04 C ATOM 759 O GLY A 47 2.117 -7.614 -6.740 1.00 32.13 O ATOM 0 H GLY A 47 2.676 -11.563 -4.916 1.00 50.14 H new ATOM 0 HA2 GLY A 47 3.006 -8.833 -4.683 1.00 53.44 H new ATOM 0 HA3 GLY A 47 3.779 -9.859 -5.875 1.00 53.44 H new ATOM 763 N ALA A 48 1.275 -9.604 -7.385 1.00 70.22 N ATOM 764 CA ALA A 48 0.452 -9.045 -8.468 1.00 35.24 C ATOM 765 C ALA A 48 -0.569 -8.024 -7.941 1.00 62.32 C ATOM 766 O ALA A 48 -0.771 -6.968 -8.541 1.00 52.13 O ATOM 767 CB ALA A 48 -0.262 -10.166 -9.217 1.00 34.00 C ATOM 0 H ALA A 48 1.211 -10.618 -7.294 1.00 70.22 H new ATOM 0 HA ALA A 48 1.118 -8.521 -9.153 1.00 35.24 H new ATOM 0 HB1 ALA A 48 -0.868 -9.741 -10.017 1.00 34.00 H new ATOM 0 HB2 ALA A 48 0.475 -10.846 -9.643 1.00 34.00 H new ATOM 0 HB3 ALA A 48 -0.904 -10.713 -8.527 1.00 34.00 H new ATOM 773 N GLU A 49 -1.209 -8.344 -6.819 1.00 13.43 N ATOM 774 CA GLU A 49 -2.198 -7.445 -6.209 1.00 63.41 C ATOM 775 C GLU A 49 -1.514 -6.303 -5.451 1.00 20.05 C ATOM 776 O GLU A 49 -1.942 -5.150 -5.524 1.00 13.11 O ATOM 777 CB GLU A 49 -3.127 -8.225 -5.268 1.00 24.33 C ATOM 778 CG GLU A 49 -3.853 -9.384 -5.945 1.00 53.20 C ATOM 779 CD GLU A 49 -4.675 -8.948 -7.151 1.00 2.34 C ATOM 780 OE1 GLU A 49 -5.832 -8.514 -6.966 1.00 14.32 O ATOM 781 OE2 GLU A 49 -4.170 -9.050 -8.291 1.00 4.11 O ATOM 0 H GLU A 49 -1.064 -9.216 -6.311 1.00 13.43 H new ATOM 0 HA GLU A 49 -2.794 -7.011 -7.012 1.00 63.41 H new ATOM 0 HB2 GLU A 49 -2.543 -8.612 -4.433 1.00 24.33 H new ATOM 0 HB3 GLU A 49 -3.865 -7.540 -4.850 1.00 24.33 H new ATOM 0 HG2 GLU A 49 -3.122 -10.129 -6.260 1.00 53.20 H new ATOM 0 HG3 GLU A 49 -4.509 -9.867 -5.221 1.00 53.20 H new ATOM 788 N VAL A 50 -0.438 -6.631 -4.732 1.00 21.44 N ATOM 789 CA VAL A 50 0.360 -5.622 -4.023 1.00 41.44 C ATOM 790 C VAL A 50 0.863 -4.533 -4.995 1.00 30.11 C ATOM 791 O VAL A 50 0.974 -3.354 -4.635 1.00 72.04 O ATOM 792 CB VAL A 50 1.564 -6.275 -3.290 1.00 75.40 C ATOM 793 CG1 VAL A 50 2.434 -5.216 -2.615 1.00 3.32 C ATOM 794 CG2 VAL A 50 1.082 -7.312 -2.268 1.00 72.25 C ATOM 0 H VAL A 50 -0.098 -7.586 -4.624 1.00 21.44 H new ATOM 0 HA VAL A 50 -0.287 -5.156 -3.280 1.00 41.44 H new ATOM 0 HB VAL A 50 2.173 -6.787 -4.035 1.00 75.40 H new ATOM 0 HG11 VAL A 50 3.270 -5.700 -2.109 1.00 3.32 H new ATOM 0 HG12 VAL A 50 2.816 -4.525 -3.367 1.00 3.32 H new ATOM 0 HG13 VAL A 50 1.838 -4.666 -1.887 1.00 3.32 H new ATOM 0 HG21 VAL A 50 1.942 -7.756 -1.767 1.00 72.25 H new ATOM 0 HG22 VAL A 50 0.443 -6.826 -1.530 1.00 72.25 H new ATOM 0 HG23 VAL A 50 0.517 -8.092 -2.779 1.00 72.25 H new ATOM 804 N LYS A 51 1.153 -4.941 -6.231 1.00 22.30 N ATOM 805 CA LYS A 51 1.528 -4.009 -7.302 1.00 64.23 C ATOM 806 C LYS A 51 0.452 -2.930 -7.498 1.00 54.22 C ATOM 807 O LYS A 51 0.749 -1.732 -7.540 1.00 3.42 O ATOM 808 CB LYS A 51 1.727 -4.778 -8.617 1.00 13.11 C ATOM 809 CG LYS A 51 2.165 -3.903 -9.792 1.00 61.44 C ATOM 810 CD LYS A 51 2.103 -4.659 -11.120 1.00 73.54 C ATOM 811 CE LYS A 51 2.929 -5.939 -11.090 1.00 30.34 C ATOM 812 NZ LYS A 51 2.835 -6.690 -12.371 1.00 21.33 N ATOM 0 H LYS A 51 1.136 -5.919 -6.520 1.00 22.30 H new ATOM 0 HA LYS A 51 2.460 -3.521 -7.015 1.00 64.23 H new ATOM 0 HB2 LYS A 51 2.473 -5.557 -8.460 1.00 13.11 H new ATOM 0 HB3 LYS A 51 0.794 -5.278 -8.878 1.00 13.11 H new ATOM 0 HG2 LYS A 51 1.526 -3.021 -9.846 1.00 61.44 H new ATOM 0 HG3 LYS A 51 3.182 -3.550 -9.622 1.00 61.44 H new ATOM 0 HD2 LYS A 51 1.066 -4.903 -11.350 1.00 73.54 H new ATOM 0 HD3 LYS A 51 2.464 -4.014 -11.921 1.00 73.54 H new ATOM 0 HE2 LYS A 51 3.972 -5.694 -10.889 1.00 30.34 H new ATOM 0 HE3 LYS A 51 2.587 -6.573 -10.272 1.00 30.34 H new ATOM 0 HZ1 LYS A 51 3.411 -7.554 -12.310 1.00 21.33 H new ATOM 0 HZ2 LYS A 51 1.843 -6.947 -12.551 1.00 21.33 H new ATOM 0 HZ3 LYS A 51 3.185 -6.095 -13.149 1.00 21.33 H new ATOM 826 N GLY A 52 -0.802 -3.365 -7.614 1.00 2.22 N ATOM 827 CA GLY A 52 -1.909 -2.435 -7.780 1.00 62.54 C ATOM 828 C GLY A 52 -2.173 -1.590 -6.539 1.00 70.55 C ATOM 829 O GLY A 52 -2.289 -0.371 -6.632 1.00 20.34 O ATOM 0 H GLY A 52 -1.072 -4.349 -7.596 1.00 2.22 H new ATOM 0 HA2 GLY A 52 -1.699 -1.776 -8.623 1.00 62.54 H new ATOM 0 HA3 GLY A 52 -2.811 -2.994 -8.030 1.00 62.54 H new ATOM 833 N VAL A 53 -2.238 -2.237 -5.376 1.00 1.14 N ATOM 834 CA VAL A 53 -2.552 -1.551 -4.109 1.00 3.15 C ATOM 835 C VAL A 53 -1.636 -0.340 -3.853 1.00 72.32 C ATOM 836 O VAL A 53 -2.115 0.763 -3.586 1.00 21.50 O ATOM 837 CB VAL A 53 -2.454 -2.527 -2.907 1.00 71.34 C ATOM 838 CG1 VAL A 53 -2.718 -1.806 -1.583 1.00 11.01 C ATOM 839 CG2 VAL A 53 -3.419 -3.698 -3.092 1.00 73.24 C ATOM 0 H VAL A 53 -2.078 -3.240 -5.278 1.00 1.14 H new ATOM 0 HA VAL A 53 -3.576 -1.189 -4.205 1.00 3.15 H new ATOM 0 HB VAL A 53 -1.437 -2.919 -2.871 1.00 71.34 H new ATOM 0 HG11 VAL A 53 -2.642 -2.517 -0.760 1.00 11.01 H new ATOM 0 HG12 VAL A 53 -1.982 -1.014 -1.447 1.00 11.01 H new ATOM 0 HG13 VAL A 53 -3.718 -1.373 -1.597 1.00 11.01 H new ATOM 0 HG21 VAL A 53 -3.338 -4.374 -2.241 1.00 73.24 H new ATOM 0 HG22 VAL A 53 -4.439 -3.321 -3.161 1.00 73.24 H new ATOM 0 HG23 VAL A 53 -3.168 -4.235 -4.007 1.00 73.24 H new ATOM 849 N CYS A 54 -0.324 -0.547 -3.940 1.00 54.24 N ATOM 850 CA CYS A 54 0.643 0.543 -3.728 1.00 71.51 C ATOM 851 C CYS A 54 0.426 1.690 -4.730 1.00 21.40 C ATOM 852 O CYS A 54 0.514 2.866 -4.377 1.00 53.35 O ATOM 853 CB CYS A 54 2.076 0.018 -3.853 1.00 21.13 C ATOM 854 SG CYS A 54 2.485 -0.623 -5.493 1.00 22.32 S ATOM 0 H CYS A 54 0.098 -1.451 -4.154 1.00 54.24 H new ATOM 0 HA CYS A 54 0.485 0.930 -2.722 1.00 71.51 H new ATOM 0 HB2 CYS A 54 2.769 0.822 -3.605 1.00 21.13 H new ATOM 0 HB3 CYS A 54 2.228 -0.772 -3.117 1.00 21.13 H new ATOM 0 HG CYS A 54 3.632 -1.233 -5.447 1.00 22.32 H new ATOM 860 N THR A 55 0.133 1.336 -5.980 1.00 41.34 N ATOM 861 CA THR A 55 -0.121 2.329 -7.036 1.00 3.24 C ATOM 862 C THR A 55 -1.418 3.108 -6.776 1.00 50.33 C ATOM 863 O THR A 55 -1.445 4.337 -6.871 1.00 50.52 O ATOM 864 CB THR A 55 -0.205 1.658 -8.429 1.00 33.34 C ATOM 865 OG1 THR A 55 1.010 0.935 -8.699 1.00 51.33 O ATOM 866 CG2 THR A 55 -0.437 2.689 -9.531 1.00 72.42 C ATOM 0 H THR A 55 0.064 0.367 -6.292 1.00 41.34 H new ATOM 0 HA THR A 55 0.719 3.023 -7.021 1.00 3.24 H new ATOM 0 HB THR A 55 -1.051 0.971 -8.418 1.00 33.34 H new ATOM 0 HG1 THR A 55 0.947 0.035 -8.317 1.00 51.33 H new ATOM 0 HG21 THR A 55 -0.491 2.185 -10.496 1.00 72.42 H new ATOM 0 HG22 THR A 55 -1.372 3.217 -9.345 1.00 72.42 H new ATOM 0 HG23 THR A 55 0.387 3.403 -9.540 1.00 72.42 H new ATOM 874 N GLU A 56 -2.488 2.389 -6.436 1.00 15.11 N ATOM 875 CA GLU A 56 -3.784 3.013 -6.144 1.00 63.55 C ATOM 876 C GLU A 56 -3.689 3.916 -4.905 1.00 53.14 C ATOM 877 O GLU A 56 -4.329 4.966 -4.840 1.00 44.20 O ATOM 878 CB GLU A 56 -4.862 1.940 -5.942 1.00 51.12 C ATOM 879 CG GLU A 56 -5.023 0.988 -7.126 1.00 61.53 C ATOM 880 CD GLU A 56 -5.408 1.690 -8.422 1.00 2.31 C ATOM 881 OE1 GLU A 56 -6.619 1.870 -8.668 1.00 50.33 O ATOM 882 OE2 GLU A 56 -4.505 2.051 -9.210 1.00 71.52 O ATOM 0 H GLU A 56 -2.485 1.372 -6.355 1.00 15.11 H new ATOM 0 HA GLU A 56 -4.063 3.632 -6.997 1.00 63.55 H new ATOM 0 HB2 GLU A 56 -4.619 1.359 -5.053 1.00 51.12 H new ATOM 0 HB3 GLU A 56 -5.817 2.430 -5.751 1.00 51.12 H new ATOM 0 HG2 GLU A 56 -4.088 0.449 -7.278 1.00 61.53 H new ATOM 0 HG3 GLU A 56 -5.784 0.246 -6.884 1.00 61.53 H new ATOM 889 N ALA A 57 -2.878 3.504 -3.929 1.00 21.11 N ATOM 890 CA ALA A 57 -2.589 4.344 -2.762 1.00 5.02 C ATOM 891 C ALA A 57 -1.989 5.685 -3.203 1.00 64.14 C ATOM 892 O ALA A 57 -2.324 6.739 -2.661 1.00 64.31 O ATOM 893 CB ALA A 57 -1.640 3.625 -1.808 1.00 23.23 C ATOM 0 H ALA A 57 -2.410 2.597 -3.922 1.00 21.11 H new ATOM 0 HA ALA A 57 -3.524 4.539 -2.237 1.00 5.02 H new ATOM 0 HB1 ALA A 57 -1.436 4.263 -0.948 1.00 23.23 H new ATOM 0 HB2 ALA A 57 -2.099 2.696 -1.470 1.00 23.23 H new ATOM 0 HB3 ALA A 57 -0.706 3.402 -2.323 1.00 23.23 H new ATOM 899 N GLY A 58 -1.103 5.632 -4.197 1.00 24.01 N ATOM 900 CA GLY A 58 -0.574 6.849 -4.798 1.00 72.33 C ATOM 901 C GLY A 58 -1.665 7.712 -5.424 1.00 33.34 C ATOM 902 O GLY A 58 -1.598 8.938 -5.381 1.00 13.04 O ATOM 0 H GLY A 58 -0.741 4.767 -4.598 1.00 24.01 H new ATOM 0 HA2 GLY A 58 -0.049 7.427 -4.038 1.00 72.33 H new ATOM 0 HA3 GLY A 58 0.159 6.585 -5.561 1.00 72.33 H new ATOM 906 N MET A 59 -2.677 7.070 -6.005 1.00 43.43 N ATOM 907 CA MET A 59 -3.824 7.788 -6.574 1.00 61.53 C ATOM 908 C MET A 59 -4.581 8.562 -5.482 1.00 15.40 C ATOM 909 O MET A 59 -4.901 9.742 -5.650 1.00 1.42 O ATOM 910 CB MET A 59 -4.779 6.810 -7.278 1.00 25.34 C ATOM 911 CG MET A 59 -4.132 5.965 -8.375 1.00 70.20 C ATOM 912 SD MET A 59 -4.173 6.736 -10.014 1.00 41.42 S ATOM 913 CE MET A 59 -3.066 8.134 -9.804 1.00 41.34 C ATOM 0 H MET A 59 -2.729 6.055 -6.096 1.00 43.43 H new ATOM 0 HA MET A 59 -3.444 8.500 -7.307 1.00 61.53 H new ATOM 0 HB2 MET A 59 -5.210 6.143 -6.531 1.00 25.34 H new ATOM 0 HB3 MET A 59 -5.602 7.377 -7.713 1.00 25.34 H new ATOM 0 HG2 MET A 59 -3.095 5.766 -8.103 1.00 70.20 H new ATOM 0 HG3 MET A 59 -4.639 5.001 -8.425 1.00 70.20 H new ATOM 0 HE1 MET A 59 -2.598 8.374 -10.759 1.00 41.34 H new ATOM 0 HE2 MET A 59 -3.632 8.996 -9.450 1.00 41.34 H new ATOM 0 HE3 MET A 59 -2.295 7.882 -9.076 1.00 41.34 H new ATOM 923 N TYR A 60 -4.863 7.884 -4.368 1.00 34.13 N ATOM 924 CA TYR A 60 -5.511 8.513 -3.210 1.00 33.50 C ATOM 925 C TYR A 60 -4.682 9.689 -2.675 1.00 34.41 C ATOM 926 O TYR A 60 -5.221 10.743 -2.327 1.00 62.15 O ATOM 927 CB TYR A 60 -5.732 7.481 -2.097 1.00 24.45 C ATOM 928 CG TYR A 60 -6.834 6.480 -2.391 1.00 65.41 C ATOM 929 CD1 TYR A 60 -8.172 6.828 -2.240 1.00 2.15 C ATOM 930 CD2 TYR A 60 -6.538 5.187 -2.812 1.00 43.15 C ATOM 931 CE1 TYR A 60 -9.180 5.921 -2.504 1.00 32.25 C ATOM 932 CE2 TYR A 60 -7.542 4.274 -3.075 1.00 63.34 C ATOM 933 CZ TYR A 60 -8.859 4.646 -2.916 1.00 1.20 C ATOM 934 OH TYR A 60 -9.864 3.736 -3.167 1.00 43.14 O ATOM 0 H TYR A 60 -4.652 6.894 -4.241 1.00 34.13 H new ATOM 0 HA TYR A 60 -6.476 8.899 -3.539 1.00 33.50 H new ATOM 0 HB2 TYR A 60 -4.801 6.941 -1.927 1.00 24.45 H new ATOM 0 HB3 TYR A 60 -5.970 8.006 -1.172 1.00 24.45 H new ATOM 0 HD1 TYR A 60 -8.427 7.824 -1.911 1.00 2.15 H new ATOM 0 HD2 TYR A 60 -5.506 4.892 -2.935 1.00 43.15 H new ATOM 0 HE1 TYR A 60 -10.214 6.210 -2.388 1.00 32.25 H new ATOM 0 HE2 TYR A 60 -7.296 3.275 -3.403 1.00 63.34 H new ATOM 0 HH TYR A 60 -9.724 2.935 -2.621 1.00 43.14 H new ATOM 944 N ALA A 61 -3.367 9.507 -2.621 1.00 73.42 N ATOM 945 CA ALA A 61 -2.462 10.573 -2.198 1.00 50.41 C ATOM 946 C ALA A 61 -2.491 11.763 -3.175 1.00 72.52 C ATOM 947 O ALA A 61 -2.792 12.895 -2.789 1.00 11.41 O ATOM 948 CB ALA A 61 -1.043 10.032 -2.052 1.00 64.13 C ATOM 0 H ALA A 61 -2.903 8.632 -2.865 1.00 73.42 H new ATOM 0 HA ALA A 61 -2.803 10.937 -1.229 1.00 50.41 H new ATOM 0 HB1 ALA A 61 -0.378 10.836 -1.736 1.00 64.13 H new ATOM 0 HB2 ALA A 61 -1.032 9.237 -1.306 1.00 64.13 H new ATOM 0 HB3 ALA A 61 -0.704 9.636 -3.009 1.00 64.13 H new ATOM 954 N LEU A 62 -2.200 11.492 -4.449 1.00 54.41 N ATOM 955 CA LEU A 62 -2.116 12.535 -5.480 1.00 34.45 C ATOM 956 C LEU A 62 -3.412 13.357 -5.602 1.00 52.51 C ATOM 957 O LEU A 62 -3.356 14.575 -5.779 1.00 0.23 O ATOM 958 CB LEU A 62 -1.757 11.921 -6.842 1.00 22.11 C ATOM 959 CG LEU A 62 -0.361 11.275 -6.931 1.00 53.01 C ATOM 960 CD1 LEU A 62 -0.127 10.683 -8.320 1.00 74.04 C ATOM 961 CD2 LEU A 62 0.727 12.291 -6.582 1.00 45.51 C ATOM 0 H LEU A 62 -2.017 10.551 -4.796 1.00 54.41 H new ATOM 0 HA LEU A 62 -1.326 13.218 -5.167 1.00 34.45 H new ATOM 0 HB2 LEU A 62 -2.504 11.166 -7.089 1.00 22.11 H new ATOM 0 HB3 LEU A 62 -1.827 12.699 -7.602 1.00 22.11 H new ATOM 0 HG LEU A 62 -0.313 10.464 -6.205 1.00 53.01 H new ATOM 0 HD11 LEU A 62 0.864 10.232 -8.361 1.00 74.04 H new ATOM 0 HD12 LEU A 62 -0.880 9.922 -8.523 1.00 74.04 H new ATOM 0 HD13 LEU A 62 -0.198 11.472 -9.069 1.00 74.04 H new ATOM 0 HD21 LEU A 62 1.705 11.815 -6.651 1.00 45.51 H new ATOM 0 HD22 LEU A 62 0.681 13.128 -7.279 1.00 45.51 H new ATOM 0 HD23 LEU A 62 0.572 12.656 -5.567 1.00 45.51 H new ATOM 973 N ARG A 63 -4.576 12.707 -5.508 1.00 40.13 N ATOM 974 CA ARG A 63 -5.859 13.426 -5.608 1.00 55.23 C ATOM 975 C ARG A 63 -6.008 14.461 -4.481 1.00 43.21 C ATOM 976 O ARG A 63 -6.607 15.520 -4.673 1.00 22.33 O ATOM 977 CB ARG A 63 -7.047 12.449 -5.594 1.00 50.22 C ATOM 978 CG ARG A 63 -7.230 11.699 -4.280 1.00 23.45 C ATOM 979 CD ARG A 63 -8.376 10.697 -4.353 1.00 73.51 C ATOM 980 NE ARG A 63 -8.172 9.717 -5.419 1.00 11.04 N ATOM 981 CZ ARG A 63 -8.919 8.663 -5.611 1.00 2.55 C ATOM 982 NH1 ARG A 63 -9.894 8.384 -4.805 1.00 20.24 N ATOM 983 NH2 ARG A 63 -8.675 7.877 -6.606 1.00 71.13 N ATOM 0 H ARG A 63 -4.662 11.701 -5.365 1.00 40.13 H new ATOM 0 HA ARG A 63 -5.860 13.955 -6.561 1.00 55.23 H new ATOM 0 HB2 ARG A 63 -7.960 13.003 -5.812 1.00 50.22 H new ATOM 0 HB3 ARG A 63 -6.915 11.724 -6.397 1.00 50.22 H new ATOM 0 HG2 ARG A 63 -6.307 11.177 -4.028 1.00 23.45 H new ATOM 0 HG3 ARG A 63 -7.422 12.412 -3.478 1.00 23.45 H new ATOM 0 HD2 ARG A 63 -8.469 10.181 -3.397 1.00 73.51 H new ATOM 0 HD3 ARG A 63 -9.313 11.228 -4.521 1.00 73.51 H new ATOM 0 HE ARG A 63 -7.391 9.867 -6.058 1.00 11.04 H new ATOM 0 HH11 ARG A 63 -10.087 8.991 -4.008 1.00 20.24 H new ATOM 0 HH12 ARG A 63 -10.469 7.557 -4.967 1.00 20.24 H new ATOM 0 HH21 ARG A 63 -7.901 8.080 -7.239 1.00 71.13 H new ATOM 0 HH22 ARG A 63 -9.256 7.053 -6.759 1.00 71.13 H new ATOM 997 N GLU A 64 -5.445 14.149 -3.311 1.00 4.33 N ATOM 998 CA GLU A 64 -5.440 15.079 -2.174 1.00 54.43 C ATOM 999 C GLU A 64 -4.088 15.795 -2.036 1.00 75.12 C ATOM 1000 O GLU A 64 -3.802 16.412 -1.009 1.00 2.45 O ATOM 1001 CB GLU A 64 -5.774 14.338 -0.874 1.00 61.20 C ATOM 1002 CG GLU A 64 -7.193 13.782 -0.829 1.00 53.42 C ATOM 1003 CD GLU A 64 -7.549 13.185 0.522 1.00 64.30 C ATOM 1004 OE1 GLU A 64 -7.228 13.814 1.558 1.00 53.42 O ATOM 1005 OE2 GLU A 64 -8.146 12.092 0.559 1.00 50.34 O ATOM 0 H GLU A 64 -4.985 13.258 -3.124 1.00 4.33 H new ATOM 0 HA GLU A 64 -6.204 15.833 -2.364 1.00 54.43 H new ATOM 0 HB2 GLU A 64 -5.068 13.518 -0.743 1.00 61.20 H new ATOM 0 HB3 GLU A 64 -5.633 15.017 -0.033 1.00 61.20 H new ATOM 0 HG2 GLU A 64 -7.898 14.579 -1.066 1.00 53.42 H new ATOM 0 HG3 GLU A 64 -7.304 13.019 -1.599 1.00 53.42 H new ATOM 1012 N ARG A 65 -3.265 15.714 -3.086 1.00 62.41 N ATOM 1013 CA ARG A 65 -1.951 16.381 -3.129 1.00 2.31 C ATOM 1014 C ARG A 65 -1.006 15.889 -2.008 1.00 1.54 C ATOM 1015 O ARG A 65 -0.003 16.539 -1.702 1.00 30.24 O ATOM 1016 CB ARG A 65 -2.109 17.917 -3.066 1.00 41.15 C ATOM 1017 CG ARG A 65 -2.877 18.532 -4.244 1.00 51.10 C ATOM 1018 CD ARG A 65 -4.384 18.297 -4.151 1.00 51.34 C ATOM 1019 NE ARG A 65 -5.103 18.839 -5.301 1.00 15.04 N ATOM 1020 CZ ARG A 65 -6.405 18.831 -5.420 1.00 60.43 C ATOM 1021 NH1 ARG A 65 -7.153 18.370 -4.473 1.00 43.02 N ATOM 1022 NH2 ARG A 65 -6.951 19.303 -6.488 1.00 72.42 N ATOM 0 H ARG A 65 -3.486 15.187 -3.931 1.00 62.41 H new ATOM 0 HA ARG A 65 -1.493 16.113 -4.081 1.00 2.31 H new ATOM 0 HB2 ARG A 65 -2.621 18.178 -2.140 1.00 41.15 H new ATOM 0 HB3 ARG A 65 -1.118 18.369 -3.020 1.00 41.15 H new ATOM 0 HG2 ARG A 65 -2.682 19.604 -4.280 1.00 51.10 H new ATOM 0 HG3 ARG A 65 -2.504 18.109 -5.177 1.00 51.10 H new ATOM 0 HD2 ARG A 65 -4.578 17.227 -4.075 1.00 51.34 H new ATOM 0 HD3 ARG A 65 -4.765 18.755 -3.238 1.00 51.34 H new ATOM 0 HE ARG A 65 -4.556 19.249 -6.058 1.00 15.04 H new ATOM 0 HH11 ARG A 65 -6.729 18.006 -3.619 1.00 43.02 H new ATOM 0 HH12 ARG A 65 -8.167 18.370 -4.579 1.00 43.02 H new ATOM 0 HH21 ARG A 65 -6.368 19.680 -7.235 1.00 72.42 H new ATOM 0 HH22 ARG A 65 -7.966 19.299 -6.586 1.00 72.42 H new ATOM 1036 N ARG A 66 -1.318 14.731 -1.420 1.00 52.22 N ATOM 1037 CA ARG A 66 -0.493 14.143 -0.351 1.00 22.31 C ATOM 1038 C ARG A 66 0.870 13.672 -0.897 1.00 61.53 C ATOM 1039 O ARG A 66 0.928 12.777 -1.740 1.00 14.12 O ATOM 1040 CB ARG A 66 -1.208 12.936 0.292 1.00 64.22 C ATOM 1041 CG ARG A 66 -2.607 13.223 0.841 1.00 2.33 C ATOM 1042 CD ARG A 66 -3.251 11.953 1.415 1.00 34.51 C ATOM 1043 NE ARG A 66 -4.612 12.183 1.906 1.00 42.32 N ATOM 1044 CZ ARG A 66 -5.314 11.304 2.577 1.00 33.40 C ATOM 1045 NH1 ARG A 66 -4.855 10.120 2.822 1.00 35.20 N ATOM 1046 NH2 ARG A 66 -6.504 11.597 2.973 1.00 13.41 N ATOM 0 H ARG A 66 -2.139 14.177 -1.665 1.00 52.22 H new ATOM 0 HA ARG A 66 -0.336 14.920 0.397 1.00 22.31 H new ATOM 0 HB2 ARG A 66 -1.283 12.141 -0.450 1.00 64.22 H new ATOM 0 HB3 ARG A 66 -0.587 12.557 1.104 1.00 64.22 H new ATOM 0 HG2 ARG A 66 -2.546 13.986 1.617 1.00 2.33 H new ATOM 0 HG3 ARG A 66 -3.236 13.626 0.047 1.00 2.33 H new ATOM 0 HD2 ARG A 66 -3.272 11.181 0.645 1.00 34.51 H new ATOM 0 HD3 ARG A 66 -2.634 11.574 2.230 1.00 34.51 H new ATOM 0 HE ARG A 66 -5.041 13.088 1.712 1.00 42.32 H new ATOM 0 HH11 ARG A 66 -3.928 9.854 2.491 1.00 35.20 H new ATOM 0 HH12 ARG A 66 -5.420 9.452 3.347 1.00 35.20 H new ATOM 0 HH21 ARG A 66 -6.900 12.514 2.764 1.00 13.41 H new ATOM 0 HH22 ARG A 66 -7.051 10.912 3.495 1.00 13.41 H new ATOM 1060 N VAL A 67 1.962 14.277 -0.427 1.00 15.55 N ATOM 1061 CA VAL A 67 3.309 13.807 -0.792 1.00 32.14 C ATOM 1062 C VAL A 67 3.715 12.618 0.093 1.00 2.00 C ATOM 1063 O VAL A 67 4.254 11.621 -0.388 1.00 41.51 O ATOM 1064 CB VAL A 67 4.373 14.929 -0.674 1.00 31.44 C ATOM 1065 CG1 VAL A 67 5.735 14.445 -1.178 1.00 22.14 C ATOM 1066 CG2 VAL A 67 3.922 16.178 -1.431 1.00 3.45 C ATOM 0 H VAL A 67 1.947 15.082 0.199 1.00 15.55 H new ATOM 0 HA VAL A 67 3.268 13.495 -1.836 1.00 32.14 H new ATOM 0 HB VAL A 67 4.480 15.189 0.379 1.00 31.44 H new ATOM 0 HG11 VAL A 67 6.464 15.250 -1.085 1.00 22.14 H new ATOM 0 HG12 VAL A 67 6.060 13.590 -0.584 1.00 22.14 H new ATOM 0 HG13 VAL A 67 5.652 14.150 -2.224 1.00 22.14 H new ATOM 0 HG21 VAL A 67 4.681 16.954 -1.337 1.00 3.45 H new ATOM 0 HG22 VAL A 67 3.781 15.934 -2.484 1.00 3.45 H new ATOM 0 HG23 VAL A 67 2.982 16.537 -1.013 1.00 3.45 H new ATOM 1076 N HIS A 68 3.451 12.732 1.397 1.00 71.14 N ATOM 1077 CA HIS A 68 3.650 11.613 2.325 1.00 65.02 C ATOM 1078 C HIS A 68 2.400 10.713 2.377 1.00 23.25 C ATOM 1079 O HIS A 68 1.350 11.111 2.888 1.00 41.02 O ATOM 1080 CB HIS A 68 4.023 12.117 3.736 1.00 32.22 C ATOM 1081 CG HIS A 68 3.048 13.096 4.334 1.00 74.31 C ATOM 1082 ND1 HIS A 68 3.237 14.461 4.304 1.00 31.54 N ATOM 1083 CD2 HIS A 68 1.878 12.903 4.994 1.00 23.42 C ATOM 1084 CE1 HIS A 68 2.234 15.062 4.911 1.00 5.01 C ATOM 1085 NE2 HIS A 68 1.398 14.142 5.337 1.00 43.35 N ATOM 0 H HIS A 68 3.100 13.584 1.834 1.00 71.14 H new ATOM 0 HA HIS A 68 4.483 11.016 1.953 1.00 65.02 H new ATOM 0 HB2 HIS A 68 4.109 11.259 4.402 1.00 32.22 H new ATOM 0 HB3 HIS A 68 5.006 12.586 3.691 1.00 32.22 H new ATOM 0 HD2 HIS A 68 1.412 11.953 5.209 1.00 23.42 H new ATOM 0 HE1 HIS A 68 2.119 16.128 5.037 1.00 5.01 H new ATOM 0 HE2 HIS A 68 0.530 14.320 5.842 1.00 43.35 H new ATOM 1094 N VAL A 69 2.512 9.510 1.825 1.00 73.33 N ATOM 1095 CA VAL A 69 1.402 8.552 1.816 1.00 60.14 C ATOM 1096 C VAL A 69 1.174 7.951 3.216 1.00 60.12 C ATOM 1097 O VAL A 69 2.128 7.657 3.943 1.00 23.31 O ATOM 1098 CB VAL A 69 1.654 7.407 0.798 1.00 22.40 C ATOM 1099 CG1 VAL A 69 0.425 6.511 0.664 1.00 44.44 C ATOM 1100 CG2 VAL A 69 2.063 7.971 -0.563 1.00 0.32 C ATOM 0 H VAL A 69 3.362 9.170 1.375 1.00 73.33 H new ATOM 0 HA VAL A 69 0.509 9.101 1.516 1.00 60.14 H new ATOM 0 HB VAL A 69 2.475 6.798 1.176 1.00 22.40 H new ATOM 0 HG11 VAL A 69 0.630 5.718 -0.055 1.00 44.44 H new ATOM 0 HG12 VAL A 69 0.189 6.070 1.633 1.00 44.44 H new ATOM 0 HG13 VAL A 69 -0.422 7.104 0.319 1.00 44.44 H new ATOM 0 HG21 VAL A 69 2.234 7.151 -1.260 1.00 0.32 H new ATOM 0 HG22 VAL A 69 1.268 8.612 -0.945 1.00 0.32 H new ATOM 0 HG23 VAL A 69 2.978 8.553 -0.455 1.00 0.32 H new ATOM 1110 N THR A 70 -0.090 7.779 3.595 1.00 73.21 N ATOM 1111 CA THR A 70 -0.435 7.260 4.924 1.00 72.22 C ATOM 1112 C THR A 70 -1.052 5.860 4.838 1.00 41.22 C ATOM 1113 O THR A 70 -1.375 5.372 3.754 1.00 53.22 O ATOM 1114 CB THR A 70 -1.426 8.195 5.668 1.00 10.50 C ATOM 1115 OG1 THR A 70 -2.741 8.098 5.094 1.00 55.42 O ATOM 1116 CG2 THR A 70 -0.954 9.645 5.610 1.00 33.21 C ATOM 0 H THR A 70 -0.894 7.990 3.004 1.00 73.21 H new ATOM 0 HA THR A 70 0.499 7.211 5.483 1.00 72.22 H new ATOM 0 HB THR A 70 -1.464 7.876 6.710 1.00 10.50 H new ATOM 0 HG1 THR A 70 -2.681 8.195 4.121 1.00 55.42 H new ATOM 0 HG21 THR A 70 -1.665 10.280 6.138 1.00 33.21 H new ATOM 0 HG22 THR A 70 0.026 9.728 6.080 1.00 33.21 H new ATOM 0 HG23 THR A 70 -0.885 9.964 4.570 1.00 33.21 H new ATOM 1124 N GLN A 71 -1.210 5.219 5.993 1.00 10.31 N ATOM 1125 CA GLN A 71 -1.852 3.899 6.076 1.00 34.20 C ATOM 1126 C GLN A 71 -3.267 3.932 5.474 1.00 30.13 C ATOM 1127 O GLN A 71 -3.715 2.967 4.847 1.00 40.11 O ATOM 1128 CB GLN A 71 -1.912 3.456 7.545 1.00 43.54 C ATOM 1129 CG GLN A 71 -2.456 2.046 7.761 1.00 45.12 C ATOM 1130 CD GLN A 71 -2.563 1.679 9.232 1.00 33.14 C ATOM 1131 OE1 GLN A 71 -2.802 2.527 10.083 1.00 52.23 O ATOM 1132 NE2 GLN A 71 -2.363 0.415 9.549 1.00 5.40 N ATOM 0 H GLN A 71 -0.902 5.590 6.892 1.00 10.31 H new ATOM 0 HA GLN A 71 -1.261 3.186 5.501 1.00 34.20 H new ATOM 0 HB2 GLN A 71 -0.910 3.514 7.970 1.00 43.54 H new ATOM 0 HB3 GLN A 71 -2.534 4.160 8.098 1.00 43.54 H new ATOM 0 HG2 GLN A 71 -3.439 1.965 7.298 1.00 45.12 H new ATOM 0 HG3 GLN A 71 -1.807 1.329 7.258 1.00 45.12 H new ATOM 0 HE21 GLN A 71 -2.166 -0.269 8.818 1.00 5.40 H new ATOM 0 HE22 GLN A 71 -2.405 0.121 10.525 1.00 5.40 H new ATOM 1141 N GLU A 72 -3.951 5.059 5.671 1.00 32.54 N ATOM 1142 CA GLU A 72 -5.299 5.279 5.130 1.00 51.34 C ATOM 1143 C GLU A 72 -5.354 5.069 3.607 1.00 4.34 C ATOM 1144 O GLU A 72 -6.230 4.364 3.098 1.00 33.45 O ATOM 1145 CB GLU A 72 -5.762 6.701 5.483 1.00 52.53 C ATOM 1146 CG GLU A 72 -7.055 7.134 4.798 1.00 74.25 C ATOM 1147 CD GLU A 72 -7.508 8.522 5.229 1.00 20.21 C ATOM 1148 OE1 GLU A 72 -6.980 9.524 4.699 1.00 60.50 O ATOM 1149 OE2 GLU A 72 -8.378 8.615 6.121 1.00 43.02 O ATOM 0 H GLU A 72 -3.590 5.847 6.209 1.00 32.54 H new ATOM 0 HA GLU A 72 -5.966 4.544 5.581 1.00 51.34 H new ATOM 0 HB2 GLU A 72 -5.898 6.768 6.562 1.00 52.53 H new ATOM 0 HB3 GLU A 72 -4.972 7.403 5.217 1.00 52.53 H new ATOM 0 HG2 GLU A 72 -6.911 7.122 3.718 1.00 74.25 H new ATOM 0 HG3 GLU A 72 -7.841 6.413 5.023 1.00 74.25 H new ATOM 1156 N ASP A 73 -4.408 5.672 2.890 1.00 43.22 N ATOM 1157 CA ASP A 73 -4.363 5.573 1.428 1.00 20.50 C ATOM 1158 C ASP A 73 -4.191 4.111 0.971 1.00 0.21 C ATOM 1159 O ASP A 73 -4.834 3.663 0.020 1.00 11.34 O ATOM 1160 CB ASP A 73 -3.222 6.439 0.882 1.00 14.44 C ATOM 1161 CG ASP A 73 -3.356 7.898 1.289 1.00 65.32 C ATOM 1162 OD1 ASP A 73 -4.114 8.637 0.631 1.00 31.05 O ATOM 1163 OD2 ASP A 73 -2.712 8.310 2.281 1.00 72.32 O ATOM 0 H ASP A 73 -3.661 6.235 3.296 1.00 43.22 H new ATOM 0 HA ASP A 73 -5.311 5.936 1.032 1.00 20.50 H new ATOM 0 HB2 ASP A 73 -2.270 6.050 1.243 1.00 14.44 H new ATOM 0 HB3 ASP A 73 -3.204 6.368 -0.206 1.00 14.44 H new ATOM 1168 N PHE A 74 -3.326 3.372 1.667 1.00 65.24 N ATOM 1169 CA PHE A 74 -3.067 1.966 1.334 1.00 23.12 C ATOM 1170 C PHE A 74 -4.304 1.076 1.550 1.00 3.12 C ATOM 1171 O PHE A 74 -4.688 0.320 0.658 1.00 44.11 O ATOM 1172 CB PHE A 74 -1.878 1.425 2.141 1.00 43.41 C ATOM 1173 CG PHE A 74 -0.537 1.839 1.588 1.00 63.52 C ATOM 1174 CD1 PHE A 74 0.084 1.080 0.605 1.00 55.44 C ATOM 1175 CD2 PHE A 74 0.103 2.980 2.049 1.00 41.45 C ATOM 1176 CE1 PHE A 74 1.313 1.451 0.093 1.00 12.11 C ATOM 1177 CE2 PHE A 74 1.333 3.354 1.540 1.00 0.45 C ATOM 1178 CZ PHE A 74 1.938 2.589 0.563 1.00 23.14 C ATOM 0 H PHE A 74 -2.793 3.720 2.464 1.00 65.24 H new ATOM 0 HA PHE A 74 -2.822 1.934 0.272 1.00 23.12 H new ATOM 0 HB2 PHE A 74 -1.960 1.772 3.171 1.00 43.41 H new ATOM 0 HB3 PHE A 74 -1.931 0.337 2.166 1.00 43.41 H new ATOM 0 HD1 PHE A 74 -0.400 0.188 0.236 1.00 55.44 H new ATOM 0 HD2 PHE A 74 -0.364 3.583 2.814 1.00 41.45 H new ATOM 0 HE1 PHE A 74 1.783 0.852 -0.673 1.00 12.11 H new ATOM 0 HE2 PHE A 74 1.821 4.245 1.907 1.00 0.45 H new ATOM 0 HZ PHE A 74 2.899 2.880 0.167 1.00 23.14 H new ATOM 1188 N GLU A 75 -4.935 1.160 2.724 1.00 43.41 N ATOM 1189 CA GLU A 75 -6.113 0.326 3.008 1.00 11.40 C ATOM 1190 C GLU A 75 -7.300 0.694 2.104 1.00 4.04 C ATOM 1191 O GLU A 75 -8.061 -0.178 1.682 1.00 30.25 O ATOM 1192 CB GLU A 75 -6.518 0.406 4.487 1.00 53.03 C ATOM 1193 CG GLU A 75 -6.806 1.811 4.995 1.00 41.23 C ATOM 1194 CD GLU A 75 -7.266 1.815 6.442 1.00 34.33 C ATOM 1195 OE1 GLU A 75 -6.452 1.484 7.330 1.00 14.13 O ATOM 1196 OE2 GLU A 75 -8.451 2.122 6.698 1.00 3.03 O ATOM 0 H GLU A 75 -4.659 1.784 3.483 1.00 43.41 H new ATOM 0 HA GLU A 75 -5.831 -0.704 2.790 1.00 11.40 H new ATOM 0 HB2 GLU A 75 -7.405 -0.209 4.640 1.00 53.03 H new ATOM 0 HB3 GLU A 75 -5.721 -0.027 5.091 1.00 53.03 H new ATOM 0 HG2 GLU A 75 -5.908 2.421 4.899 1.00 41.23 H new ATOM 0 HG3 GLU A 75 -7.572 2.271 4.371 1.00 41.23 H new ATOM 1203 N MET A 76 -7.452 1.984 1.798 1.00 2.41 N ATOM 1204 CA MET A 76 -8.463 2.422 0.828 1.00 41.42 C ATOM 1205 C MET A 76 -8.191 1.822 -0.559 1.00 11.44 C ATOM 1206 O MET A 76 -9.117 1.534 -1.323 1.00 42.11 O ATOM 1207 CB MET A 76 -8.511 3.952 0.742 1.00 51.13 C ATOM 1208 CG MET A 76 -9.186 4.608 1.939 1.00 54.43 C ATOM 1209 SD MET A 76 -10.856 3.981 2.219 1.00 11.21 S ATOM 1210 CE MET A 76 -11.631 4.318 0.635 1.00 25.25 C ATOM 0 H MET A 76 -6.896 2.738 2.201 1.00 2.41 H new ATOM 0 HA MET A 76 -9.432 2.063 1.175 1.00 41.42 H new ATOM 0 HB2 MET A 76 -7.494 4.335 0.654 1.00 51.13 H new ATOM 0 HB3 MET A 76 -9.040 4.240 -0.166 1.00 51.13 H new ATOM 0 HG2 MET A 76 -8.583 4.438 2.831 1.00 54.43 H new ATOM 0 HG3 MET A 76 -9.227 5.686 1.783 1.00 54.43 H new ATOM 0 HE1 MET A 76 -12.714 4.254 0.739 1.00 25.25 H new ATOM 0 HE2 MET A 76 -11.357 5.319 0.301 1.00 25.25 H new ATOM 0 HE3 MET A 76 -11.293 3.586 -0.098 1.00 25.25 H new ATOM 1220 N ALA A 77 -6.914 1.649 -0.884 1.00 74.12 N ATOM 1221 CA ALA A 77 -6.516 0.953 -2.108 1.00 15.24 C ATOM 1222 C ALA A 77 -6.877 -0.540 -2.033 1.00 71.24 C ATOM 1223 O ALA A 77 -7.401 -1.109 -2.989 1.00 73.20 O ATOM 1224 CB ALA A 77 -5.025 1.134 -2.356 1.00 1.51 C ATOM 0 H ALA A 77 -6.134 1.981 -0.317 1.00 74.12 H new ATOM 0 HA ALA A 77 -7.063 1.389 -2.944 1.00 15.24 H new ATOM 0 HB1 ALA A 77 -4.742 0.611 -3.270 1.00 1.51 H new ATOM 0 HB2 ALA A 77 -4.800 2.195 -2.461 1.00 1.51 H new ATOM 0 HB3 ALA A 77 -4.464 0.725 -1.516 1.00 1.51 H new ATOM 1230 N VAL A 78 -6.608 -1.165 -0.882 1.00 41.13 N ATOM 1231 CA VAL A 78 -6.964 -2.575 -0.657 1.00 24.01 C ATOM 1232 C VAL A 78 -8.462 -2.819 -0.895 1.00 44.03 C ATOM 1233 O VAL A 78 -8.847 -3.782 -1.560 1.00 32.24 O ATOM 1234 CB VAL A 78 -6.600 -3.036 0.777 1.00 21.43 C ATOM 1235 CG1 VAL A 78 -7.004 -4.492 1.009 1.00 52.02 C ATOM 1236 CG2 VAL A 78 -5.111 -2.846 1.043 1.00 53.51 C ATOM 0 H VAL A 78 -6.145 -0.719 -0.090 1.00 41.13 H new ATOM 0 HA VAL A 78 -6.386 -3.158 -1.374 1.00 24.01 H new ATOM 0 HB VAL A 78 -7.159 -2.416 1.478 1.00 21.43 H new ATOM 0 HG11 VAL A 78 -6.736 -4.787 2.024 1.00 52.02 H new ATOM 0 HG12 VAL A 78 -8.080 -4.597 0.873 1.00 52.02 H new ATOM 0 HG13 VAL A 78 -6.484 -5.132 0.296 1.00 52.02 H new ATOM 0 HG21 VAL A 78 -4.877 -3.176 2.055 1.00 53.51 H new ATOM 0 HG22 VAL A 78 -4.536 -3.434 0.328 1.00 53.51 H new ATOM 0 HG23 VAL A 78 -4.854 -1.792 0.936 1.00 53.51 H new ATOM 1246 N ALA A 79 -9.300 -1.941 -0.348 1.00 74.25 N ATOM 1247 CA ALA A 79 -10.752 -2.018 -0.555 1.00 23.40 C ATOM 1248 C ALA A 79 -11.108 -1.957 -2.049 1.00 50.21 C ATOM 1249 O ALA A 79 -12.005 -2.658 -2.517 1.00 74.42 O ATOM 1250 CB ALA A 79 -11.451 -0.894 0.205 1.00 12.11 C ATOM 0 H ALA A 79 -9.002 -1.165 0.243 1.00 74.25 H new ATOM 0 HA ALA A 79 -11.098 -2.977 -0.169 1.00 23.40 H new ATOM 0 HB1 ALA A 79 -12.527 -0.961 0.045 1.00 12.11 H new ATOM 0 HB2 ALA A 79 -11.236 -0.986 1.270 1.00 12.11 H new ATOM 0 HB3 ALA A 79 -11.089 0.069 -0.156 1.00 12.11 H new ATOM 1256 N LYS A 80 -10.377 -1.124 -2.788 1.00 3.15 N ATOM 1257 CA LYS A 80 -10.593 -0.956 -4.230 1.00 21.53 C ATOM 1258 C LYS A 80 -10.051 -2.151 -5.044 1.00 25.24 C ATOM 1259 O LYS A 80 -10.598 -2.496 -6.093 1.00 51.34 O ATOM 1260 CB LYS A 80 -9.928 0.351 -4.700 1.00 14.05 C ATOM 1261 CG LYS A 80 -9.922 0.534 -6.217 1.00 60.25 C ATOM 1262 CD LYS A 80 -9.356 1.891 -6.633 1.00 72.13 C ATOM 1263 CE LYS A 80 -10.281 3.040 -6.247 1.00 42.32 C ATOM 1264 NZ LYS A 80 -11.626 2.905 -6.869 1.00 51.42 N ATOM 0 H LYS A 80 -9.623 -0.549 -2.411 1.00 3.15 H new ATOM 0 HA LYS A 80 -11.668 -0.910 -4.404 1.00 21.53 H new ATOM 0 HB2 LYS A 80 -10.446 1.195 -4.245 1.00 14.05 H new ATOM 0 HB3 LYS A 80 -8.900 0.375 -4.337 1.00 14.05 H new ATOM 0 HG2 LYS A 80 -9.331 -0.260 -6.675 1.00 60.25 H new ATOM 0 HG3 LYS A 80 -10.939 0.434 -6.597 1.00 60.25 H new ATOM 0 HD2 LYS A 80 -8.383 2.037 -6.165 1.00 72.13 H new ATOM 0 HD3 LYS A 80 -9.196 1.902 -7.711 1.00 72.13 H new ATOM 0 HE2 LYS A 80 -10.385 3.073 -5.162 1.00 42.32 H new ATOM 0 HE3 LYS A 80 -9.833 3.985 -6.554 1.00 42.32 H new ATOM 0 HZ1 LYS A 80 -12.114 3.823 -6.843 1.00 51.42 H new ATOM 0 HZ2 LYS A 80 -11.522 2.596 -7.857 1.00 51.42 H new ATOM 0 HZ3 LYS A 80 -12.183 2.202 -6.343 1.00 51.42 H new ATOM 1278 N VAL A 81 -8.975 -2.772 -4.566 1.00 14.40 N ATOM 1279 CA VAL A 81 -8.333 -3.888 -5.283 1.00 34.22 C ATOM 1280 C VAL A 81 -8.979 -5.250 -4.961 1.00 64.22 C ATOM 1281 O VAL A 81 -9.301 -6.025 -5.866 1.00 42.15 O ATOM 1282 CB VAL A 81 -6.815 -3.945 -4.960 1.00 72.14 C ATOM 1283 CG1 VAL A 81 -6.149 -5.159 -5.608 1.00 41.50 C ATOM 1284 CG2 VAL A 81 -6.126 -2.655 -5.407 1.00 21.55 C ATOM 0 H VAL A 81 -8.524 -2.526 -3.685 1.00 14.40 H new ATOM 0 HA VAL A 81 -8.477 -3.696 -6.346 1.00 34.22 H new ATOM 0 HB VAL A 81 -6.708 -4.046 -3.880 1.00 72.14 H new ATOM 0 HG11 VAL A 81 -5.087 -5.167 -5.361 1.00 41.50 H new ATOM 0 HG12 VAL A 81 -6.615 -6.071 -5.236 1.00 41.50 H new ATOM 0 HG13 VAL A 81 -6.269 -5.106 -6.690 1.00 41.50 H new ATOM 0 HG21 VAL A 81 -5.063 -2.711 -5.174 1.00 21.55 H new ATOM 0 HG22 VAL A 81 -6.255 -2.527 -6.482 1.00 21.55 H new ATOM 0 HG23 VAL A 81 -6.568 -1.807 -4.885 1.00 21.55 H new ATOM 1294 N MET A 82 -9.156 -5.546 -3.674 1.00 22.21 N ATOM 1295 CA MET A 82 -9.732 -6.832 -3.250 1.00 15.33 C ATOM 1296 C MET A 82 -11.267 -6.823 -3.326 1.00 32.24 C ATOM 1297 O MET A 82 -11.880 -7.847 -3.621 1.00 42.53 O ATOM 1298 CB MET A 82 -9.290 -7.162 -1.819 1.00 13.23 C ATOM 1299 CG MET A 82 -7.790 -7.384 -1.677 1.00 3.02 C ATOM 1300 SD MET A 82 -7.205 -8.812 -2.616 1.00 31.40 S ATOM 1301 CE MET A 82 -8.099 -10.143 -1.814 1.00 61.02 C ATOM 0 H MET A 82 -8.912 -4.920 -2.907 1.00 22.21 H new ATOM 0 HA MET A 82 -9.365 -7.596 -3.935 1.00 15.33 H new ATOM 0 HB2 MET A 82 -9.592 -6.349 -1.158 1.00 13.23 H new ATOM 0 HB3 MET A 82 -9.814 -8.057 -1.484 1.00 13.23 H new ATOM 0 HG2 MET A 82 -7.261 -6.492 -2.013 1.00 3.02 H new ATOM 0 HG3 MET A 82 -7.545 -7.522 -0.624 1.00 3.02 H new ATOM 0 HE1 MET A 82 -7.422 -10.977 -1.630 1.00 61.02 H new ATOM 0 HE2 MET A 82 -8.505 -9.789 -0.866 1.00 61.02 H new ATOM 0 HE3 MET A 82 -8.915 -10.473 -2.457 1.00 61.02 H new ATOM 1311 N GLN A 83 -11.872 -5.663 -3.050 1.00 30.42 N ATOM 1312 CA GLN A 83 -13.332 -5.468 -3.163 1.00 65.42 C ATOM 1313 C GLN A 83 -14.163 -6.476 -2.333 1.00 52.52 C ATOM 1314 O GLN A 83 -15.390 -6.516 -2.452 1.00 25.34 O ATOM 1315 CB GLN A 83 -13.750 -5.543 -4.639 1.00 34.25 C ATOM 1316 CG GLN A 83 -13.084 -4.491 -5.521 1.00 33.50 C ATOM 1317 CD GLN A 83 -13.449 -4.636 -6.988 1.00 73.21 C ATOM 1318 OE1 GLN A 83 -13.710 -5.730 -7.477 1.00 42.52 O ATOM 1319 NE2 GLN A 83 -13.470 -3.533 -7.704 1.00 55.35 N ATOM 0 H GLN A 83 -11.370 -4.830 -2.742 1.00 30.42 H new ATOM 0 HA GLN A 83 -13.544 -4.482 -2.750 1.00 65.42 H new ATOM 0 HB2 GLN A 83 -13.509 -6.533 -5.025 1.00 34.25 H new ATOM 0 HB3 GLN A 83 -14.832 -5.429 -4.707 1.00 34.25 H new ATOM 0 HG2 GLN A 83 -13.373 -3.498 -5.176 1.00 33.50 H new ATOM 0 HG3 GLN A 83 -12.002 -4.564 -5.412 1.00 33.50 H new ATOM 0 HE21 GLN A 83 -13.248 -2.638 -7.268 1.00 55.35 H new ATOM 0 HE22 GLN A 83 -13.708 -3.573 -8.695 1.00 55.35 H new