USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 527 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 Single : A 21 THR OG1 : rot 57:sc= 0.0883 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -60:sc= 0.318 USER MOD Single : A 71 THR OG1 : rot 14:sc= -0.627 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -88:sc= 1.25 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.611 F(o=-2.7!,f=-0.61) USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0659) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 70:sc=-0.00734 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.115 F(o=-1.4,f=-0.11) USER MOD Single : A 102 ASN : amide:sc= -0.066 X(o=-0.066,f=-0.0025) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0467) USER MOD Single : A 109 THR OG1 : rot -82:sc= 0.62 USER MOD Single : A 111 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=-0.025) USER MOD Single : A 113 ASN : amide:sc= -3.78! C(o=-3.8!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 173 N GLU A 12 -22.483 52.064 6.168 1.00 0.00 N ATOM 174 CA GLU A 12 -23.438 50.965 6.247 1.00 0.00 C ATOM 175 C GLU A 12 -23.774 50.455 4.850 1.00 0.00 C ATOM 176 O GLU A 12 -23.947 49.255 4.640 1.00 0.00 O ATOM 177 CB GLU A 12 -24.714 51.430 6.950 1.00 0.00 C ATOM 178 CG GLU A 12 -24.412 51.698 8.426 1.00 0.00 C ATOM 179 CD GLU A 12 -24.512 50.402 9.224 1.00 0.00 C ATOM 180 OE1 GLU A 12 -23.688 49.529 9.008 1.00 0.00 O ATOM 181 OE2 GLU A 12 -25.412 50.303 10.044 1.00 0.00 O ATOM 0 HA GLU A 12 -22.989 50.154 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -25.095 52.334 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -25.490 50.670 6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -23.413 52.122 8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -25.113 52.433 8.821 1.00 0.00 H new ATOM 188 N ASP A 13 -23.858 51.378 3.896 1.00 0.00 N ATOM 189 CA ASP A 13 -24.165 51.016 2.518 1.00 0.00 C ATOM 190 C ASP A 13 -23.013 50.225 1.909 1.00 0.00 C ATOM 191 O ASP A 13 -23.225 49.279 1.149 1.00 0.00 O ATOM 192 CB ASP A 13 -24.413 52.276 1.688 1.00 0.00 C ATOM 193 CG ASP A 13 -24.482 51.919 0.208 1.00 0.00 C ATOM 194 OD1 ASP A 13 -23.442 51.631 -0.361 1.00 0.00 O ATOM 195 OD2 ASP A 13 -25.574 51.939 -0.336 1.00 0.00 O ATOM 0 H ASP A 13 -23.718 52.376 4.052 1.00 0.00 H new ATOM 0 HA ASP A 13 -25.063 50.398 2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -25.344 52.750 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -23.614 52.998 1.860 1.00 0.00 H new ATOM 200 N VAL A 14 -21.793 50.617 2.257 1.00 0.00 N ATOM 201 CA VAL A 14 -20.605 49.940 1.750 1.00 0.00 C ATOM 202 C VAL A 14 -20.411 48.624 2.486 1.00 0.00 C ATOM 203 O VAL A 14 -20.189 47.581 1.872 1.00 0.00 O ATOM 204 CB VAL A 14 -19.374 50.826 1.944 1.00 0.00 C ATOM 205 CG1 VAL A 14 -18.157 50.159 1.302 1.00 0.00 C ATOM 206 CG2 VAL A 14 -19.617 52.185 1.283 1.00 0.00 C ATOM 0 H VAL A 14 -21.601 51.397 2.886 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.736 49.742 0.686 1.00 0.00 H new ATOM 0 HB VAL A 14 -19.191 50.965 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.280 50.791 1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.984 49.190 1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -18.339 50.019 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -18.740 52.818 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -19.800 52.044 0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.484 52.662 1.740 1.00 0.00 H new ATOM 216 N PHE A 15 -20.515 48.682 3.808 1.00 0.00 N ATOM 217 CA PHE A 15 -20.370 47.491 4.628 1.00 0.00 C ATOM 218 C PHE A 15 -21.406 46.459 4.212 1.00 0.00 C ATOM 219 O PHE A 15 -21.157 45.254 4.265 1.00 0.00 O ATOM 220 CB PHE A 15 -20.561 47.846 6.103 1.00 0.00 C ATOM 221 CG PHE A 15 -19.792 46.870 6.959 1.00 0.00 C ATOM 222 CD1 PHE A 15 -20.197 45.533 7.033 1.00 0.00 C ATOM 223 CD2 PHE A 15 -18.674 47.305 7.681 1.00 0.00 C ATOM 224 CE1 PHE A 15 -19.485 44.628 7.828 1.00 0.00 C ATOM 225 CE2 PHE A 15 -17.962 46.401 8.476 1.00 0.00 C ATOM 226 CZ PHE A 15 -18.367 45.062 8.550 1.00 0.00 C ATOM 0 H PHE A 15 -20.698 49.538 4.331 1.00 0.00 H new ATOM 0 HA PHE A 15 -19.370 47.080 4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -20.215 48.862 6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -21.620 47.817 6.361 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -21.060 45.199 6.476 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -18.362 48.337 7.624 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -19.798 43.596 7.885 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -17.099 46.735 9.033 1.00 0.00 H new ATOM 0 HZ PHE A 15 -17.817 44.365 9.164 1.00 0.00 H new ATOM 236 N ARG A 16 -22.570 46.945 3.792 1.00 0.00 N ATOM 237 CA ARG A 16 -23.644 46.060 3.360 1.00 0.00 C ATOM 238 C ARG A 16 -23.269 45.376 2.052 1.00 0.00 C ATOM 239 O ARG A 16 -23.406 44.161 1.912 1.00 0.00 O ATOM 240 CB ARG A 16 -24.939 46.855 3.172 1.00 0.00 C ATOM 241 CG ARG A 16 -25.826 46.689 4.408 1.00 0.00 C ATOM 242 CD ARG A 16 -26.203 45.215 4.572 1.00 0.00 C ATOM 243 NE ARG A 16 -27.613 45.090 4.920 1.00 0.00 N ATOM 244 CZ ARG A 16 -28.117 43.933 5.334 1.00 0.00 C ATOM 245 NH1 ARG A 16 -27.346 42.886 5.438 1.00 0.00 N ATOM 246 NH2 ARG A 16 -29.385 43.843 5.635 1.00 0.00 N ATOM 0 H ARG A 16 -22.792 47.939 3.742 1.00 0.00 H new ATOM 0 HA ARG A 16 -23.798 45.301 4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -24.711 47.909 3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -25.466 46.506 2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -25.301 47.042 5.296 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -26.726 47.296 4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -26.000 44.676 3.647 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -25.588 44.759 5.348 1.00 0.00 H new ATOM 0 HE ARG A 16 -28.223 45.904 4.844 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -26.356 42.956 5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -27.733 41.997 5.756 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -29.988 44.661 5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -29.772 42.954 5.953 1.00 0.00 H new ATOM 260 N ARG A 17 -22.790 46.166 1.097 1.00 0.00 N ATOM 261 CA ARG A 17 -22.390 45.630 -0.198 1.00 0.00 C ATOM 262 C ARG A 17 -21.099 44.829 -0.065 1.00 0.00 C ATOM 263 O ARG A 17 -20.900 43.833 -0.760 1.00 0.00 O ATOM 264 CB ARG A 17 -22.192 46.771 -1.197 1.00 0.00 C ATOM 265 CG ARG A 17 -23.546 47.167 -1.792 1.00 0.00 C ATOM 266 CD ARG A 17 -23.466 48.582 -2.370 1.00 0.00 C ATOM 267 NE ARG A 17 -22.860 48.553 -3.697 1.00 0.00 N ATOM 268 CZ ARG A 17 -23.349 49.277 -4.702 1.00 0.00 C ATOM 269 NH1 ARG A 17 -24.390 50.045 -4.516 1.00 0.00 N ATOM 270 NH2 ARG A 17 -22.786 49.221 -5.877 1.00 0.00 N ATOM 0 H ARG A 17 -22.670 47.174 1.195 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.178 44.969 -0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -21.736 47.628 -0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -21.511 46.461 -1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -23.831 46.461 -2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -24.318 47.121 -1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -24.464 49.016 -2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -22.879 49.220 -1.709 1.00 0.00 H new ATOM 0 HE ARG A 17 -22.043 47.964 -3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -24.832 50.092 -3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -24.761 50.598 -5.289 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -21.973 48.623 -6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -23.159 49.775 -6.648 1.00 0.00 H new ATOM 284 N ILE A 18 -20.225 45.272 0.833 1.00 0.00 N ATOM 285 CA ILE A 18 -18.955 44.586 1.052 1.00 0.00 C ATOM 286 C ILE A 18 -19.194 43.139 1.471 1.00 0.00 C ATOM 287 O ILE A 18 -18.417 42.252 1.133 1.00 0.00 O ATOM 288 CB ILE A 18 -18.155 45.303 2.142 1.00 0.00 C ATOM 289 CG1 ILE A 18 -17.386 46.474 1.524 1.00 0.00 C ATOM 290 CG2 ILE A 18 -17.166 44.326 2.781 1.00 0.00 C ATOM 291 CD1 ILE A 18 -16.052 45.975 0.965 1.00 0.00 C ATOM 0 H ILE A 18 -20.370 46.096 1.417 1.00 0.00 H new ATOM 0 HA ILE A 18 -18.393 44.597 0.118 1.00 0.00 H new ATOM 0 HB ILE A 18 -18.838 45.677 2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -17.976 46.931 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -17.212 47.244 2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.598 44.839 3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -17.712 43.492 3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -16.483 43.950 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -15.506 46.810 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -15.461 45.539 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -16.237 45.220 0.201 1.00 0.00 H new ATOM 303 N PHE A 19 -20.276 42.915 2.209 1.00 0.00 N ATOM 304 CA PHE A 19 -20.621 41.577 2.679 1.00 0.00 C ATOM 305 C PHE A 19 -21.113 40.727 1.518 1.00 0.00 C ATOM 306 O PHE A 19 -20.598 39.636 1.272 1.00 0.00 O ATOM 307 CB PHE A 19 -21.710 41.666 3.750 1.00 0.00 C ATOM 308 CG PHE A 19 -21.690 40.416 4.598 1.00 0.00 C ATOM 309 CD1 PHE A 19 -20.614 40.173 5.460 1.00 0.00 C ATOM 310 CD2 PHE A 19 -22.748 39.502 4.523 1.00 0.00 C ATOM 311 CE1 PHE A 19 -20.597 39.014 6.247 1.00 0.00 C ATOM 312 CE2 PHE A 19 -22.730 38.345 5.310 1.00 0.00 C ATOM 313 CZ PHE A 19 -21.654 38.101 6.173 1.00 0.00 C ATOM 0 H PHE A 19 -20.930 43.643 2.495 1.00 0.00 H new ATOM 0 HA PHE A 19 -19.732 41.114 3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -21.549 42.544 4.375 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -22.687 41.784 3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.798 40.878 5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -23.578 39.690 3.858 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -19.767 38.825 6.912 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -23.546 37.640 5.252 1.00 0.00 H new ATOM 0 HZ PHE A 19 -21.641 37.208 6.781 1.00 0.00 H new ATOM 323 N ILE A 20 -22.094 41.245 0.786 1.00 0.00 N ATOM 324 CA ILE A 20 -22.613 40.528 -0.366 1.00 0.00 C ATOM 325 C ILE A 20 -21.511 40.438 -1.405 1.00 0.00 C ATOM 326 O ILE A 20 -21.353 39.424 -2.084 1.00 0.00 O ATOM 327 CB ILE A 20 -23.822 41.262 -0.949 1.00 0.00 C ATOM 328 CG1 ILE A 20 -24.863 41.481 0.153 1.00 0.00 C ATOM 329 CG2 ILE A 20 -24.435 40.424 -2.073 1.00 0.00 C ATOM 330 CD1 ILE A 20 -25.742 40.235 0.284 1.00 0.00 C ATOM 0 H ILE A 20 -22.538 42.145 0.968 1.00 0.00 H new ATOM 0 HA ILE A 20 -22.933 39.530 -0.068 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.506 42.226 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -24.366 41.689 1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -25.478 42.350 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -25.296 40.947 -2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -23.693 40.267 -2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -24.753 39.460 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -26.482 40.393 1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -26.250 40.047 -0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -25.121 39.376 0.539 1.00 0.00 H new ATOM 342 N THR A 21 -20.732 41.511 -1.491 1.00 0.00 N ATOM 343 CA THR A 21 -19.613 41.571 -2.414 1.00 0.00 C ATOM 344 C THR A 21 -18.465 40.717 -1.892 1.00 0.00 C ATOM 345 O THR A 21 -17.773 40.052 -2.662 1.00 0.00 O ATOM 346 CB THR A 21 -19.141 43.019 -2.577 1.00 0.00 C ATOM 347 OG1 THR A 21 -20.251 43.842 -2.907 1.00 0.00 O ATOM 348 CG2 THR A 21 -18.097 43.094 -3.693 1.00 0.00 C ATOM 0 H THR A 21 -20.859 42.352 -0.929 1.00 0.00 H new ATOM 0 HA THR A 21 -19.936 41.190 -3.383 1.00 0.00 H new ATOM 0 HB THR A 21 -18.697 43.365 -1.644 1.00 0.00 H new ATOM 0 HG1 THR A 21 -20.939 43.756 -2.215 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.761 44.125 -3.809 1.00 0.00 H new ATOM 0 HG22 THR A 21 -17.246 42.462 -3.439 1.00 0.00 H new ATOM 0 HG23 THR A 21 -18.538 42.749 -4.628 1.00 0.00 H new ATOM 356 N TYR A 22 -18.267 40.737 -0.572 1.00 0.00 N ATOM 357 CA TYR A 22 -17.194 39.950 0.032 1.00 0.00 C ATOM 358 C TYR A 22 -17.441 38.469 -0.208 1.00 0.00 C ATOM 359 O TYR A 22 -16.577 37.757 -0.719 1.00 0.00 O ATOM 360 CB TYR A 22 -17.114 40.211 1.538 1.00 0.00 C ATOM 361 CG TYR A 22 -16.331 39.102 2.199 1.00 0.00 C ATOM 362 CD1 TYR A 22 -14.938 39.058 2.069 1.00 0.00 C ATOM 363 CD2 TYR A 22 -16.997 38.119 2.941 1.00 0.00 C ATOM 364 CE1 TYR A 22 -14.211 38.031 2.682 1.00 0.00 C ATOM 365 CE2 TYR A 22 -16.269 37.093 3.554 1.00 0.00 C ATOM 366 CZ TYR A 22 -14.876 37.049 3.426 1.00 0.00 C ATOM 367 OH TYR A 22 -14.159 36.037 4.030 1.00 0.00 O ATOM 0 H TYR A 22 -18.825 41.279 0.087 1.00 0.00 H new ATOM 0 HA TYR A 22 -16.251 40.246 -0.429 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -16.635 41.172 1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -18.116 40.266 1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -14.425 39.816 1.496 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -18.072 38.153 3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -13.136 37.996 2.581 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -16.783 36.335 4.126 1.00 0.00 H new ATOM 0 HH TYR A 22 -14.773 35.441 4.507 1.00 0.00 H new ATOM 377 N MET A 23 -18.634 38.018 0.155 1.00 0.00 N ATOM 378 CA MET A 23 -18.996 36.623 -0.034 1.00 0.00 C ATOM 379 C MET A 23 -18.959 36.277 -1.517 1.00 0.00 C ATOM 380 O MET A 23 -18.735 35.125 -1.891 1.00 0.00 O ATOM 381 CB MET A 23 -20.396 36.364 0.529 1.00 0.00 C ATOM 382 CG MET A 23 -20.496 34.917 1.012 1.00 0.00 C ATOM 383 SD MET A 23 -20.574 33.808 -0.417 1.00 0.00 S ATOM 384 CE MET A 23 -21.964 32.801 0.157 1.00 0.00 C ATOM 0 H MET A 23 -19.361 38.594 0.579 1.00 0.00 H new ATOM 0 HA MET A 23 -18.281 35.995 0.497 1.00 0.00 H new ATOM 0 HB2 MET A 23 -20.600 37.048 1.353 1.00 0.00 H new ATOM 0 HB3 MET A 23 -21.148 36.555 -0.237 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.634 34.669 1.632 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.383 34.790 1.633 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.190 32.036 -0.585 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.702 32.324 1.102 1.00 0.00 H new ATOM 0 HE3 MET A 23 -22.838 33.436 0.301 1.00 0.00 H new ATOM 394 N ASP A 24 -19.175 37.285 -2.358 1.00 0.00 N ATOM 395 CA ASP A 24 -19.157 37.071 -3.803 1.00 0.00 C ATOM 396 C ASP A 24 -17.723 36.893 -4.292 1.00 0.00 C ATOM 397 O ASP A 24 -17.445 36.040 -5.134 1.00 0.00 O ATOM 398 CB ASP A 24 -19.803 38.257 -4.525 1.00 0.00 C ATOM 399 CG ASP A 24 -21.075 37.806 -5.238 1.00 0.00 C ATOM 400 OD1 ASP A 24 -20.966 37.324 -6.354 1.00 0.00 O ATOM 401 OD2 ASP A 24 -22.138 37.947 -4.657 1.00 0.00 O ATOM 0 H ASP A 24 -19.362 38.245 -2.070 1.00 0.00 H new ATOM 0 HA ASP A 24 -19.725 36.168 -4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -20.038 39.045 -3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -19.103 38.679 -5.246 1.00 0.00 H new ATOM 826 N LEU A 51 8.609 14.521 -2.230 1.00 0.00 N ATOM 827 CA LEU A 51 7.742 14.144 -1.119 1.00 0.00 C ATOM 828 C LEU A 51 6.398 13.628 -1.627 1.00 0.00 C ATOM 829 O LEU A 51 5.902 12.602 -1.162 1.00 0.00 O ATOM 830 CB LEU A 51 7.514 15.349 -0.205 1.00 0.00 C ATOM 831 CG LEU A 51 7.045 14.867 1.169 1.00 0.00 C ATOM 832 CD1 LEU A 51 8.257 14.641 2.073 1.00 0.00 C ATOM 833 CD2 LEU A 51 6.133 15.924 1.797 1.00 0.00 C ATOM 0 HA LEU A 51 8.232 13.347 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.435 15.923 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.770 16.015 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 51 6.496 13.932 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.922 14.298 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.908 13.888 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.807 15.576 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.799 15.581 2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.682 16.859 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.268 16.086 1.154 1.00 0.00 H new ATOM 845 N TYR A 52 5.813 14.346 -2.581 1.00 0.00 N ATOM 846 CA TYR A 52 4.524 13.949 -3.141 1.00 0.00 C ATOM 847 C TYR A 52 4.653 12.635 -3.905 1.00 0.00 C ATOM 848 O TYR A 52 3.781 11.770 -3.824 1.00 0.00 O ATOM 849 CB TYR A 52 4.004 15.039 -4.080 1.00 0.00 C ATOM 850 CG TYR A 52 2.516 15.203 -3.888 1.00 0.00 C ATOM 851 CD1 TYR A 52 1.629 14.311 -4.501 1.00 0.00 C ATOM 852 CD2 TYR A 52 2.023 16.246 -3.094 1.00 0.00 C ATOM 853 CE1 TYR A 52 0.249 14.463 -4.322 1.00 0.00 C ATOM 854 CE2 TYR A 52 0.643 16.398 -2.916 1.00 0.00 C ATOM 855 CZ TYR A 52 -0.245 15.506 -3.530 1.00 0.00 C ATOM 856 OH TYR A 52 -1.605 15.654 -3.352 1.00 0.00 O ATOM 0 H TYR A 52 6.206 15.198 -2.980 1.00 0.00 H new ATOM 0 HA TYR A 52 3.820 13.811 -2.320 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.513 15.981 -3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.221 14.775 -5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.009 13.506 -5.112 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.708 16.933 -2.619 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.435 13.775 -4.796 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.263 17.203 -2.305 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.777 16.426 -2.774 1.00 0.00 H new ATOM 866 N LEU A 53 5.747 12.494 -4.646 1.00 0.00 N ATOM 867 CA LEU A 53 5.981 11.281 -5.422 1.00 0.00 C ATOM 868 C LEU A 53 6.114 10.073 -4.499 1.00 0.00 C ATOM 869 O LEU A 53 5.673 8.974 -4.835 1.00 0.00 O ATOM 870 CB LEU A 53 7.253 11.435 -6.257 1.00 0.00 C ATOM 871 CG LEU A 53 7.493 10.157 -7.064 1.00 0.00 C ATOM 872 CD1 LEU A 53 6.430 10.034 -8.157 1.00 0.00 C ATOM 873 CD2 LEU A 53 8.880 10.215 -7.707 1.00 0.00 C ATOM 0 H LEU A 53 6.480 13.198 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 53 5.130 11.123 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.159 12.289 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.105 11.633 -5.607 1.00 0.00 H new ATOM 0 HG LEU A 53 7.433 9.293 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.602 9.123 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.441 9.994 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.488 10.897 -8.820 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.053 9.305 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.939 11.079 -8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.638 10.302 -6.929 1.00 0.00 H new ATOM 885 N MET A 54 6.726 10.284 -3.339 1.00 0.00 N ATOM 886 CA MET A 54 6.911 9.203 -2.377 1.00 0.00 C ATOM 887 C MET A 54 5.564 8.666 -1.911 1.00 0.00 C ATOM 888 O MET A 54 5.384 7.457 -1.760 1.00 0.00 O ATOM 889 CB MET A 54 7.707 9.707 -1.172 1.00 0.00 C ATOM 890 CG MET A 54 7.720 8.634 -0.083 1.00 0.00 C ATOM 891 SD MET A 54 9.080 8.958 1.067 1.00 0.00 S ATOM 892 CE MET A 54 10.285 7.837 0.315 1.00 0.00 C ATOM 0 H MET A 54 7.100 11.186 -3.043 1.00 0.00 H new ATOM 0 HA MET A 54 7.461 8.398 -2.864 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.727 9.948 -1.472 1.00 0.00 H new ATOM 0 HB3 MET A 54 7.262 10.625 -0.787 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.770 8.632 0.452 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.836 7.647 -0.531 1.00 0.00 H new ATOM 0 HE1 MET A 54 11.219 7.877 0.876 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.895 6.819 0.332 1.00 0.00 H new ATOM 0 HE3 MET A 54 10.468 8.138 -0.716 1.00 0.00 H new ATOM 902 N VAL A 55 4.620 9.571 -1.683 1.00 0.00 N ATOM 903 CA VAL A 55 3.290 9.179 -1.232 1.00 0.00 C ATOM 904 C VAL A 55 2.642 8.228 -2.235 1.00 0.00 C ATOM 905 O VAL A 55 2.012 7.243 -1.850 1.00 0.00 O ATOM 906 CB VAL A 55 2.413 10.419 -1.057 1.00 0.00 C ATOM 907 CG1 VAL A 55 1.103 10.029 -0.371 1.00 0.00 C ATOM 908 CG2 VAL A 55 3.153 11.443 -0.193 1.00 0.00 C ATOM 0 H VAL A 55 4.749 10.576 -1.802 1.00 0.00 H new ATOM 0 HA VAL A 55 3.387 8.666 -0.275 1.00 0.00 H new ATOM 0 HB VAL A 55 2.195 10.851 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.479 10.914 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.576 9.297 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.319 9.598 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.531 12.329 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.369 11.008 0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.087 11.723 -0.680 1.00 0.00 H new ATOM 918 N MET A 56 2.803 8.526 -3.519 1.00 0.00 N ATOM 919 CA MET A 56 2.228 7.684 -4.562 1.00 0.00 C ATOM 920 C MET A 56 2.713 6.245 -4.410 1.00 0.00 C ATOM 921 O MET A 56 1.911 5.314 -4.343 1.00 0.00 O ATOM 922 CB MET A 56 2.621 8.216 -5.943 1.00 0.00 C ATOM 923 CG MET A 56 1.729 7.574 -7.008 1.00 0.00 C ATOM 924 SD MET A 56 1.852 8.517 -8.549 1.00 0.00 S ATOM 925 CE MET A 56 0.442 7.758 -9.391 1.00 0.00 C ATOM 0 H MET A 56 3.321 9.335 -3.861 1.00 0.00 H new ATOM 0 HA MET A 56 1.143 7.704 -4.464 1.00 0.00 H new ATOM 0 HB2 MET A 56 2.516 9.301 -5.970 1.00 0.00 H new ATOM 0 HB3 MET A 56 3.668 7.992 -6.147 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.032 6.541 -7.177 1.00 0.00 H new ATOM 0 HG3 MET A 56 0.695 7.551 -6.665 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.329 8.199 -10.382 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.610 6.685 -9.488 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.465 7.932 -8.811 1.00 0.00 H new ATOM 935 N ILE A 57 4.029 6.072 -4.355 1.00 0.00 N ATOM 936 CA ILE A 57 4.610 4.742 -4.207 1.00 0.00 C ATOM 937 C ILE A 57 4.094 4.072 -2.937 1.00 0.00 C ATOM 938 O ILE A 57 3.842 2.868 -2.918 1.00 0.00 O ATOM 939 CB ILE A 57 6.135 4.841 -4.152 1.00 0.00 C ATOM 940 CG1 ILE A 57 6.642 5.552 -5.409 1.00 0.00 C ATOM 941 CG2 ILE A 57 6.737 3.436 -4.080 1.00 0.00 C ATOM 942 CD1 ILE A 57 6.827 4.534 -6.536 1.00 0.00 C ATOM 0 H ILE A 57 4.710 6.830 -4.410 1.00 0.00 H new ATOM 0 HA ILE A 57 4.318 4.139 -5.067 1.00 0.00 H new ATOM 0 HB ILE A 57 6.432 5.406 -3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.934 6.322 -5.714 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.587 6.053 -5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.824 3.507 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.374 2.930 -3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.442 2.868 -4.963 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.188 5.042 -7.430 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.552 3.780 -6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 57 5.873 4.053 -6.752 1.00 0.00 H new ATOM 954 N GLY A 58 3.936 4.861 -1.879 1.00 0.00 N ATOM 955 CA GLY A 58 3.446 4.331 -0.613 1.00 0.00 C ATOM 956 C GLY A 58 2.036 3.774 -0.772 1.00 0.00 C ATOM 957 O GLY A 58 1.732 2.680 -0.296 1.00 0.00 O ATOM 0 H GLY A 58 4.138 5.861 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.114 3.546 -0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.449 5.117 0.142 1.00 0.00 H new ATOM 961 N MET A 59 1.180 4.533 -1.449 1.00 0.00 N ATOM 962 CA MET A 59 -0.196 4.104 -1.670 1.00 0.00 C ATOM 963 C MET A 59 -0.222 2.746 -2.362 1.00 0.00 C ATOM 964 O MET A 59 -1.053 1.893 -2.049 1.00 0.00 O ATOM 965 CB MET A 59 -0.931 5.131 -2.534 1.00 0.00 C ATOM 966 CG MET A 59 -1.258 6.367 -1.693 1.00 0.00 C ATOM 967 SD MET A 59 -2.343 5.898 -0.322 1.00 0.00 S ATOM 968 CE MET A 59 -1.405 6.712 0.995 1.00 0.00 C ATOM 0 H MET A 59 1.412 5.441 -1.851 1.00 0.00 H new ATOM 0 HA MET A 59 -0.693 4.021 -0.704 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.314 5.412 -3.387 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.848 4.697 -2.933 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.340 6.811 -1.308 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.742 7.123 -2.312 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.904 6.550 1.951 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.398 6.296 1.036 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.347 7.782 0.793 1.00 0.00 H new ATOM 978 N PHE A 60 0.698 2.552 -3.302 1.00 0.00 N ATOM 979 CA PHE A 60 0.778 1.293 -4.033 1.00 0.00 C ATOM 980 C PHE A 60 1.013 0.130 -3.072 1.00 0.00 C ATOM 981 O PHE A 60 0.406 -0.931 -3.207 1.00 0.00 O ATOM 982 CB PHE A 60 1.915 1.355 -5.055 1.00 0.00 C ATOM 983 CG PHE A 60 1.562 0.514 -6.258 1.00 0.00 C ATOM 984 CD1 PHE A 60 0.609 0.971 -7.178 1.00 0.00 C ATOM 985 CD2 PHE A 60 2.186 -0.725 -6.456 1.00 0.00 C ATOM 986 CE1 PHE A 60 0.281 0.191 -8.293 1.00 0.00 C ATOM 987 CE2 PHE A 60 1.858 -1.504 -7.571 1.00 0.00 C ATOM 988 CZ PHE A 60 0.906 -1.047 -8.490 1.00 0.00 C ATOM 0 H PHE A 60 1.394 3.246 -3.574 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.167 1.133 -4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.088 2.387 -5.359 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.841 0.995 -4.606 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.127 1.926 -7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.920 -1.079 -5.748 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.454 0.544 -9.001 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.340 -2.459 -7.723 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.654 -1.649 -9.351 1.00 0.00 H new ATOM 998 N SER A 61 1.897 0.341 -2.102 1.00 0.00 N ATOM 999 CA SER A 61 2.203 -0.695 -1.122 1.00 0.00 C ATOM 1000 C SER A 61 0.959 -1.046 -0.312 1.00 0.00 C ATOM 1001 O SER A 61 0.728 -2.210 0.019 1.00 0.00 O ATOM 1002 CB SER A 61 3.309 -0.213 -0.182 1.00 0.00 C ATOM 1003 OG SER A 61 4.366 -1.164 -0.172 1.00 0.00 O ATOM 0 H SER A 61 2.411 1.213 -1.974 1.00 0.00 H new ATOM 0 HA SER A 61 2.541 -1.585 -1.652 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.681 0.758 -0.508 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.914 -0.081 0.825 1.00 0.00 H new ATOM 0 HG SER A 61 5.077 -0.857 0.428 1.00 0.00 H new ATOM 1009 N PHE A 62 0.163 -0.031 0.004 1.00 0.00 N ATOM 1010 CA PHE A 62 -1.056 -0.238 0.777 1.00 0.00 C ATOM 1011 C PHE A 62 -1.992 -1.204 0.054 1.00 0.00 C ATOM 1012 O PHE A 62 -2.649 -2.033 0.683 1.00 0.00 O ATOM 1013 CB PHE A 62 -1.768 1.099 0.993 1.00 0.00 C ATOM 1014 CG PHE A 62 -2.242 1.195 2.423 1.00 0.00 C ATOM 1015 CD1 PHE A 62 -1.311 1.229 3.469 1.00 0.00 C ATOM 1016 CD2 PHE A 62 -3.613 1.250 2.705 1.00 0.00 C ATOM 1017 CE1 PHE A 62 -1.750 1.320 4.794 1.00 0.00 C ATOM 1018 CE2 PHE A 62 -4.052 1.341 4.032 1.00 0.00 C ATOM 1019 CZ PHE A 62 -3.120 1.376 5.076 1.00 0.00 C ATOM 0 H PHE A 62 0.338 0.938 -0.261 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.785 -0.667 1.742 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.092 1.923 0.767 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.615 1.186 0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.254 1.185 3.252 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.332 1.222 1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.032 1.347 5.600 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.109 1.384 4.250 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.458 1.446 6.099 1.00 0.00 H new ATOM 1029 N ILE A 63 -2.049 -1.087 -1.268 1.00 0.00 N ATOM 1030 CA ILE A 63 -2.908 -1.954 -2.067 1.00 0.00 C ATOM 1031 C ILE A 63 -2.486 -3.412 -1.923 1.00 0.00 C ATOM 1032 O ILE A 63 -3.321 -4.292 -1.711 1.00 0.00 O ATOM 1033 CB ILE A 63 -2.832 -1.546 -3.540 1.00 0.00 C ATOM 1034 CG1 ILE A 63 -3.508 -0.186 -3.729 1.00 0.00 C ATOM 1035 CG2 ILE A 63 -3.546 -2.592 -4.398 1.00 0.00 C ATOM 1036 CD1 ILE A 63 -3.353 0.261 -5.183 1.00 0.00 C ATOM 0 H ILE A 63 -1.515 -0.405 -1.806 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.932 -1.847 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.787 -1.479 -3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.564 -0.253 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.061 0.550 -3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.492 -2.301 -5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.065 -3.561 -4.265 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.591 -2.660 -4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.834 1.230 -5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.294 0.344 -5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.820 -0.472 -5.841 1.00 0.00 H new ATOM 1048 N ILE A 64 -1.186 -3.661 -2.044 1.00 0.00 N ATOM 1049 CA ILE A 64 -0.661 -5.018 -1.931 1.00 0.00 C ATOM 1050 C ILE A 64 -0.961 -5.603 -0.555 1.00 0.00 C ATOM 1051 O ILE A 64 -1.400 -6.748 -0.440 1.00 0.00 O ATOM 1052 CB ILE A 64 0.850 -5.011 -2.168 1.00 0.00 C ATOM 1053 CG1 ILE A 64 1.145 -4.384 -3.533 1.00 0.00 C ATOM 1054 CG2 ILE A 64 1.380 -6.446 -2.139 1.00 0.00 C ATOM 1055 CD1 ILE A 64 2.591 -4.686 -3.933 1.00 0.00 C ATOM 0 H ILE A 64 -0.480 -2.946 -2.219 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.146 -5.638 -2.685 1.00 0.00 H new ATOM 0 HB ILE A 64 1.339 -4.430 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.459 -4.779 -4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.985 -3.307 -3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.457 -6.440 -2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.168 -6.893 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.893 -7.029 -2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.800 -4.239 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.269 -4.269 -3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.735 -5.765 -3.991 1.00 0.00 H new ATOM 1067 N VAL A 65 -0.720 -4.815 0.487 1.00 0.00 N ATOM 1068 CA VAL A 65 -0.968 -5.272 1.850 1.00 0.00 C ATOM 1069 C VAL A 65 -2.444 -5.610 2.041 1.00 0.00 C ATOM 1070 O VAL A 65 -2.787 -6.546 2.764 1.00 0.00 O ATOM 1071 CB VAL A 65 -0.556 -4.189 2.848 1.00 0.00 C ATOM 1072 CG1 VAL A 65 -0.991 -4.600 4.256 1.00 0.00 C ATOM 1073 CG2 VAL A 65 0.966 -4.015 2.813 1.00 0.00 C ATOM 0 H VAL A 65 -0.356 -3.865 0.416 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.376 -6.170 2.026 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.035 -3.247 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.697 -3.828 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.074 -4.723 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.512 -5.542 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.260 -3.243 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.446 -4.956 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.276 -3.721 1.810 1.00 0.00 H new ATOM 1083 N ALA A 66 -3.312 -4.842 1.391 1.00 0.00 N ATOM 1084 CA ALA A 66 -4.749 -5.070 1.496 1.00 0.00 C ATOM 1085 C ALA A 66 -5.117 -6.447 0.951 1.00 0.00 C ATOM 1086 O ALA A 66 -6.050 -7.088 1.434 1.00 0.00 O ATOM 1087 CB ALA A 66 -5.507 -3.991 0.719 1.00 0.00 C ATOM 0 H ALA A 66 -3.048 -4.061 0.790 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.028 -5.024 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.579 -4.168 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.268 -3.010 1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.214 -4.025 -0.330 1.00 0.00 H new ATOM 1093 N ILE A 67 -4.382 -6.890 -0.063 1.00 0.00 N ATOM 1094 CA ILE A 67 -4.640 -8.190 -0.674 1.00 0.00 C ATOM 1095 C ILE A 67 -4.142 -9.321 0.224 1.00 0.00 C ATOM 1096 O ILE A 67 -4.748 -10.392 0.279 1.00 0.00 O ATOM 1097 CB ILE A 67 -3.946 -8.269 -2.037 1.00 0.00 C ATOM 1098 CG1 ILE A 67 -4.445 -7.129 -2.928 1.00 0.00 C ATOM 1099 CG2 ILE A 67 -4.264 -9.608 -2.706 1.00 0.00 C ATOM 1100 CD1 ILE A 67 -5.968 -7.210 -3.057 1.00 0.00 C ATOM 0 H ILE A 67 -3.607 -6.372 -0.478 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.716 -8.301 -0.805 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.869 -8.183 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.156 -6.168 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.982 -7.194 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.767 -9.658 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.910 -10.423 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.341 -9.698 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.323 -6.398 -3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.245 -8.166 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.422 -7.124 -2.070 1.00 0.00 H new ATOM 1112 N LEU A 68 -3.035 -9.082 0.918 1.00 0.00 N ATOM 1113 CA LEU A 68 -2.466 -10.097 1.801 1.00 0.00 C ATOM 1114 C LEU A 68 -3.343 -10.305 3.032 1.00 0.00 C ATOM 1115 O LEU A 68 -3.634 -11.438 3.414 1.00 0.00 O ATOM 1116 CB LEU A 68 -1.063 -9.676 2.242 1.00 0.00 C ATOM 1117 CG LEU A 68 -0.184 -9.463 1.009 1.00 0.00 C ATOM 1118 CD1 LEU A 68 1.162 -8.875 1.436 1.00 0.00 C ATOM 1119 CD2 LEU A 68 0.043 -10.804 0.309 1.00 0.00 C ATOM 0 H LEU A 68 -2.517 -8.204 0.888 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.413 -11.035 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.114 -8.758 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.627 -10.441 2.885 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.679 -8.774 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.788 -8.723 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.000 -7.920 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.659 -9.562 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.669 -10.654 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.538 -11.493 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.916 -11.222 0.004 1.00 0.00 H new ATOM 1131 N VAL A 69 -3.760 -9.206 3.649 1.00 0.00 N ATOM 1132 CA VAL A 69 -4.601 -9.280 4.838 1.00 0.00 C ATOM 1133 C VAL A 69 -5.885 -10.052 4.542 1.00 0.00 C ATOM 1134 O VAL A 69 -6.361 -10.826 5.372 1.00 0.00 O ATOM 1135 CB VAL A 69 -4.946 -7.872 5.324 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -3.665 -7.151 5.746 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -5.614 -7.093 4.189 1.00 0.00 C ATOM 0 H VAL A 69 -3.532 -8.258 3.348 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.049 -9.805 5.617 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.626 -7.937 6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.910 -6.147 6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.184 -7.706 6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.987 -7.086 4.895 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.861 -6.089 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.932 -7.029 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.526 -7.606 3.883 1.00 0.00 H new ATOM 1147 N SER A 70 -6.437 -9.839 3.351 1.00 0.00 N ATOM 1148 CA SER A 70 -7.662 -10.522 2.954 1.00 0.00 C ATOM 1149 C SER A 70 -7.377 -11.996 2.709 1.00 0.00 C ATOM 1150 O SER A 70 -8.084 -12.870 3.211 1.00 0.00 O ATOM 1151 CB SER A 70 -8.229 -9.890 1.683 1.00 0.00 C ATOM 1152 OG SER A 70 -7.506 -10.370 0.558 1.00 0.00 O ATOM 0 H SER A 70 -6.058 -9.203 2.649 1.00 0.00 H new ATOM 0 HA SER A 70 -8.394 -10.425 3.756 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.286 -10.135 1.582 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.157 -8.804 1.740 1.00 0.00 H new ATOM 0 HG SER A 70 -6.560 -10.132 0.651 1.00 0.00 H new ATOM 1158 N THR A 71 -6.323 -12.263 1.948 1.00 0.00 N ATOM 1159 CA THR A 71 -5.935 -13.635 1.660 1.00 0.00 C ATOM 1160 C THR A 71 -5.702 -14.379 2.965 1.00 0.00 C ATOM 1161 O THR A 71 -5.925 -15.587 3.058 1.00 0.00 O ATOM 1162 CB THR A 71 -4.657 -13.659 0.819 1.00 0.00 C ATOM 1163 OG1 THR A 71 -3.677 -12.828 1.427 1.00 0.00 O ATOM 1164 CG2 THR A 71 -4.958 -13.151 -0.591 1.00 0.00 C ATOM 0 H THR A 71 -5.727 -11.553 1.523 1.00 0.00 H new ATOM 0 HA THR A 71 -6.734 -14.120 1.099 1.00 0.00 H new ATOM 0 HB THR A 71 -4.282 -14.681 0.759 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.951 -12.616 2.344 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.046 -13.170 -1.187 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.708 -13.791 -1.056 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.335 -12.130 -0.537 1.00 0.00 H new ATOM 1172 N VAL A 72 -5.253 -13.641 3.975 1.00 0.00 N ATOM 1173 CA VAL A 72 -4.991 -14.229 5.283 1.00 0.00 C ATOM 1174 C VAL A 72 -6.303 -14.506 6.006 1.00 0.00 C ATOM 1175 O VAL A 72 -6.510 -15.592 6.547 1.00 0.00 O ATOM 1176 CB VAL A 72 -4.127 -13.285 6.121 1.00 0.00 C ATOM 1177 CG1 VAL A 72 -4.062 -13.793 7.562 1.00 0.00 C ATOM 1178 CG2 VAL A 72 -2.712 -13.236 5.534 1.00 0.00 C ATOM 0 H VAL A 72 -5.064 -12.641 3.914 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.457 -15.169 5.143 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.563 -12.286 6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.446 -13.119 8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.068 -13.830 7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.626 -14.792 7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.094 -12.564 6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.278 -14.236 5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.756 -12.874 4.507 1.00 0.00 H new ATOM 1188 N LYS A 73 -7.191 -13.517 5.998 1.00 0.00 N ATOM 1189 CA LYS A 73 -8.487 -13.665 6.642 1.00 0.00 C ATOM 1190 C LYS A 73 -9.340 -14.660 5.866 1.00 0.00 C ATOM 1191 O LYS A 73 -10.193 -15.342 6.435 1.00 0.00 O ATOM 1192 CB LYS A 73 -9.204 -12.313 6.706 1.00 0.00 C ATOM 1193 CG LYS A 73 -8.751 -11.555 7.956 1.00 0.00 C ATOM 1194 CD LYS A 73 -8.965 -10.054 7.749 1.00 0.00 C ATOM 1195 CE LYS A 73 -10.461 -9.764 7.615 1.00 0.00 C ATOM 1196 NZ LYS A 73 -10.774 -9.397 6.205 1.00 0.00 N ATOM 0 H LYS A 73 -7.037 -12.611 5.555 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.334 -14.034 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.982 -11.729 5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.283 -12.462 6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.313 -11.897 8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.699 -11.759 8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.550 -9.498 8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.438 -9.721 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.039 -10.639 7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.746 -8.953 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.791 -9.200 6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.233 -8.550 5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.517 -10.184 5.576 1.00 0.00 H new ATOM 1210 N SER A 74 -9.101 -14.734 4.560 1.00 0.00 N ATOM 1211 CA SER A 74 -9.851 -15.650 3.706 1.00 0.00 C ATOM 1212 C SER A 74 -9.760 -17.076 4.240 1.00 0.00 C ATOM 1213 O SER A 74 -10.655 -17.891 4.013 1.00 0.00 O ATOM 1214 CB SER A 74 -9.303 -15.602 2.280 1.00 0.00 C ATOM 1215 OG SER A 74 -8.309 -16.605 2.125 1.00 0.00 O ATOM 0 H SER A 74 -8.400 -14.176 4.073 1.00 0.00 H new ATOM 0 HA SER A 74 -10.896 -15.341 3.704 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.109 -15.759 1.563 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.879 -14.619 2.074 1.00 0.00 H new ATOM 0 HG SER A 74 -7.437 -16.245 2.390 1.00 0.00 H new ATOM 1471 N VAL A 89 6.043 -16.752 7.085 1.00 0.00 N ATOM 1472 CA VAL A 89 6.846 -17.008 5.896 1.00 0.00 C ATOM 1473 C VAL A 89 6.487 -18.363 5.296 1.00 0.00 C ATOM 1474 O VAL A 89 6.697 -18.602 4.106 1.00 0.00 O ATOM 1475 CB VAL A 89 8.334 -16.984 6.249 1.00 0.00 C ATOM 1476 CG1 VAL A 89 8.554 -17.695 7.585 1.00 0.00 C ATOM 1477 CG2 VAL A 89 9.128 -17.702 5.154 1.00 0.00 C ATOM 0 HA VAL A 89 6.637 -16.227 5.165 1.00 0.00 H new ATOM 0 HB VAL A 89 8.672 -15.951 6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.615 -17.678 7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.988 -17.186 8.365 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.216 -18.728 7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.189 -17.686 5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.789 -18.735 5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.972 -17.197 4.201 1.00 0.00 H new ATOM 1487 N GLU A 90 5.940 -19.245 6.126 1.00 0.00 N ATOM 1488 CA GLU A 90 5.551 -20.573 5.665 1.00 0.00 C ATOM 1489 C GLU A 90 4.523 -20.463 4.545 1.00 0.00 C ATOM 1490 O GLU A 90 4.598 -21.180 3.547 1.00 0.00 O ATOM 1491 CB GLU A 90 4.964 -21.379 6.825 1.00 0.00 C ATOM 1492 CG GLU A 90 5.408 -22.839 6.710 1.00 0.00 C ATOM 1493 CD GLU A 90 6.884 -22.967 7.069 1.00 0.00 C ATOM 1494 OE1 GLU A 90 7.252 -22.527 8.146 1.00 0.00 O ATOM 1495 OE2 GLU A 90 7.626 -23.504 6.262 1.00 0.00 O ATOM 0 H GLU A 90 5.757 -19.067 7.113 1.00 0.00 H new ATOM 0 HA GLU A 90 6.436 -21.083 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.295 -20.961 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.876 -21.317 6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.809 -23.463 7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.240 -23.200 5.695 1.00 0.00 H new ATOM 1502 N ASP A 91 3.565 -19.555 4.713 1.00 0.00 N ATOM 1503 CA ASP A 91 2.532 -19.356 3.704 1.00 0.00 C ATOM 1504 C ASP A 91 3.170 -18.987 2.369 1.00 0.00 C ATOM 1505 O ASP A 91 2.732 -19.441 1.313 1.00 0.00 O ATOM 1506 CB ASP A 91 1.575 -18.247 4.142 1.00 0.00 C ATOM 1507 CG ASP A 91 0.132 -18.688 3.921 1.00 0.00 C ATOM 1508 OD1 ASP A 91 -0.297 -19.606 4.602 1.00 0.00 O ATOM 1509 OD2 ASP A 91 -0.523 -18.102 3.075 1.00 0.00 O ATOM 0 H ASP A 91 3.484 -18.951 5.531 1.00 0.00 H new ATOM 0 HA ASP A 91 1.972 -20.284 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 91 1.735 -18.011 5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.777 -17.337 3.577 1.00 0.00 H new ATOM 1514 N TRP A 92 4.214 -18.166 2.431 1.00 0.00 N ATOM 1515 CA TRP A 92 4.919 -17.744 1.226 1.00 0.00 C ATOM 1516 C TRP A 92 5.597 -18.942 0.569 1.00 0.00 C ATOM 1517 O TRP A 92 5.581 -19.086 -0.653 1.00 0.00 O ATOM 1518 CB TRP A 92 5.975 -16.691 1.583 1.00 0.00 C ATOM 1519 CG TRP A 92 5.564 -15.355 1.050 1.00 0.00 C ATOM 1520 CD1 TRP A 92 5.125 -14.321 1.804 1.00 0.00 C ATOM 1521 CD2 TRP A 92 5.550 -14.889 -0.330 1.00 0.00 C ATOM 1522 NE1 TRP A 92 4.843 -13.250 0.975 1.00 0.00 N ATOM 1523 CE2 TRP A 92 5.089 -13.551 -0.350 1.00 0.00 C ATOM 1524 CE3 TRP A 92 5.889 -15.491 -1.556 1.00 0.00 C ATOM 1525 CZ2 TRP A 92 4.968 -12.836 -1.542 1.00 0.00 C ATOM 1526 CZ3 TRP A 92 5.769 -14.774 -2.757 1.00 0.00 C ATOM 1527 CH2 TRP A 92 5.310 -13.449 -2.751 1.00 0.00 C ATOM 0 H TRP A 92 4.589 -17.782 3.298 1.00 0.00 H new ATOM 0 HA TRP A 92 4.199 -17.314 0.530 1.00 0.00 H new ATOM 0 HB2 TRP A 92 6.097 -16.638 2.665 1.00 0.00 H new ATOM 0 HB3 TRP A 92 6.941 -16.977 1.167 1.00 0.00 H new ATOM 0 HD1 TRP A 92 5.013 -14.330 2.878 1.00 0.00 H new ATOM 0 HE1 TRP A 92 4.496 -12.348 1.302 1.00 0.00 H new ATOM 0 HE3 TRP A 92 6.244 -16.511 -1.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 4.613 -11.816 -1.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 6.032 -15.246 -3.692 1.00 0.00 H new ATOM 0 HH2 TRP A 92 5.221 -12.903 -3.679 1.00 0.00 H new ATOM 1538 N GLN A 93 6.190 -19.800 1.394 1.00 0.00 N ATOM 1539 CA GLN A 93 6.872 -20.987 0.891 1.00 0.00 C ATOM 1540 C GLN A 93 5.859 -22.012 0.393 1.00 0.00 C ATOM 1541 O GLN A 93 6.152 -22.806 -0.503 1.00 0.00 O ATOM 1542 CB GLN A 93 7.726 -21.607 1.999 1.00 0.00 C ATOM 1543 CG GLN A 93 9.176 -21.147 1.843 1.00 0.00 C ATOM 1544 CD GLN A 93 9.940 -21.382 3.141 1.00 0.00 C ATOM 1545 OE1 GLN A 93 9.607 -20.715 4.213 1.00 0.00 O flip ATOM 1546 NE2 GLN A 93 10.866 -22.193 3.181 1.00 0.00 N flip ATOM 0 H GLN A 93 6.212 -19.696 2.408 1.00 0.00 H new ATOM 0 HA GLN A 93 7.514 -20.692 0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.343 -21.312 2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.671 -22.694 1.950 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.653 -21.690 1.027 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.204 -20.089 1.581 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.125 -22.713 2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.374 -22.344 4.052 1.00 0.00 H new ATOM 1555 N GLU A 94 4.663 -21.985 0.973 1.00 0.00 N ATOM 1556 CA GLU A 94 3.610 -22.909 0.574 1.00 0.00 C ATOM 1557 C GLU A 94 3.030 -22.481 -0.766 1.00 0.00 C ATOM 1558 O GLU A 94 2.861 -23.296 -1.673 1.00 0.00 O ATOM 1559 CB GLU A 94 2.504 -22.933 1.631 1.00 0.00 C ATOM 1560 CG GLU A 94 2.096 -24.380 1.915 1.00 0.00 C ATOM 1561 CD GLU A 94 0.658 -24.425 2.418 1.00 0.00 C ATOM 1562 OE1 GLU A 94 -0.146 -23.650 1.926 1.00 0.00 O ATOM 1563 OE2 GLU A 94 0.381 -25.234 3.287 1.00 0.00 O ATOM 0 H GLU A 94 4.401 -21.337 1.716 1.00 0.00 H new ATOM 0 HA GLU A 94 4.034 -23.909 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.852 -22.456 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.642 -22.363 1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 94 2.192 -24.979 1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.764 -24.816 2.658 1.00 0.00 H new ATOM 1570 N LYS A 95 2.742 -21.190 -0.887 1.00 0.00 N ATOM 1571 CA LYS A 95 2.201 -20.656 -2.126 1.00 0.00 C ATOM 1572 C LYS A 95 3.236 -20.796 -3.235 1.00 0.00 C ATOM 1573 O LYS A 95 2.896 -20.849 -4.417 1.00 0.00 O ATOM 1574 CB LYS A 95 1.828 -19.181 -1.945 1.00 0.00 C ATOM 1575 CG LYS A 95 0.349 -18.977 -2.289 1.00 0.00 C ATOM 1576 CD LYS A 95 0.132 -19.226 -3.782 1.00 0.00 C ATOM 1577 CE LYS A 95 -1.270 -19.794 -4.009 1.00 0.00 C ATOM 1578 NZ LYS A 95 -2.287 -18.779 -3.615 1.00 0.00 N ATOM 0 H LYS A 95 2.874 -20.500 -0.147 1.00 0.00 H new ATOM 0 HA LYS A 95 1.304 -21.215 -2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 95 2.019 -18.871 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.450 -18.557 -2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.269 -19.657 -1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.041 -17.964 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.253 -18.296 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.882 -19.922 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.399 -20.066 -5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.404 -20.704 -3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.227 -19.085 -3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.294 -18.678 -2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.052 -17.864 -4.051 1.00 0.00 H new ATOM 1592 N TYR A 96 4.503 -20.863 -2.836 1.00 0.00 N ATOM 1593 CA TYR A 96 5.593 -21.007 -3.796 1.00 0.00 C ATOM 1594 C TYR A 96 5.626 -22.430 -4.343 1.00 0.00 C ATOM 1595 O TYR A 96 5.866 -22.644 -5.532 1.00 0.00 O ATOM 1596 CB TYR A 96 6.928 -20.687 -3.121 1.00 0.00 C ATOM 1597 CG TYR A 96 7.759 -19.807 -4.026 1.00 0.00 C ATOM 1598 CD1 TYR A 96 8.074 -20.236 -5.322 1.00 0.00 C ATOM 1599 CD2 TYR A 96 8.216 -18.565 -3.571 1.00 0.00 C ATOM 1600 CE1 TYR A 96 8.846 -19.423 -6.161 1.00 0.00 C ATOM 1601 CE2 TYR A 96 8.988 -17.751 -4.409 1.00 0.00 C ATOM 1602 CZ TYR A 96 9.303 -18.180 -5.704 1.00 0.00 C ATOM 1603 OH TYR A 96 10.065 -17.378 -6.530 1.00 0.00 O ATOM 0 H TYR A 96 4.799 -20.820 -1.861 1.00 0.00 H new ATOM 0 HA TYR A 96 5.429 -20.312 -4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 96 6.754 -20.185 -2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.466 -21.609 -2.901 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.721 -21.194 -5.674 1.00 0.00 H new ATOM 0 HD2 TYR A 96 7.973 -18.234 -2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.089 -19.754 -7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.340 -16.793 -4.057 1.00 0.00 H new ATOM 0 HH TYR A 96 10.298 -16.551 -6.059 1.00 0.00 H new ATOM 1613 N LYS A 97 5.378 -23.399 -3.468 1.00 0.00 N ATOM 1614 CA LYS A 97 5.377 -24.801 -3.869 1.00 0.00 C ATOM 1615 C LYS A 97 4.254 -25.065 -4.866 1.00 0.00 C ATOM 1616 O LYS A 97 4.432 -25.796 -5.840 1.00 0.00 O ATOM 1617 CB LYS A 97 5.189 -25.693 -2.641 1.00 0.00 C ATOM 1618 CG LYS A 97 6.192 -26.847 -2.685 1.00 0.00 C ATOM 1619 CD LYS A 97 6.120 -27.632 -1.374 1.00 0.00 C ATOM 1620 CE LYS A 97 6.033 -29.128 -1.677 1.00 0.00 C ATOM 1621 NZ LYS A 97 6.007 -29.894 -0.399 1.00 0.00 N ATOM 0 H LYS A 97 5.176 -23.240 -2.481 1.00 0.00 H new ATOM 0 HA LYS A 97 6.333 -25.029 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.330 -25.110 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.172 -26.083 -2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.972 -27.503 -3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.200 -26.462 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.000 -27.424 -0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.251 -27.316 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.136 -29.340 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.886 -29.438 -2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.948 -30.912 -0.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.875 -29.700 0.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.180 -29.606 0.162 1.00 0.00 H new ATOM 1635 N SER A 98 3.096 -24.466 -4.612 1.00 0.00 N ATOM 1636 CA SER A 98 1.946 -24.642 -5.491 1.00 0.00 C ATOM 1637 C SER A 98 2.230 -24.049 -6.867 1.00 0.00 C ATOM 1638 O SER A 98 1.745 -24.550 -7.881 1.00 0.00 O ATOM 1639 CB SER A 98 0.718 -23.963 -4.885 1.00 0.00 C ATOM 1640 OG SER A 98 1.129 -23.101 -3.832 1.00 0.00 O ATOM 0 H SER A 98 2.929 -23.858 -3.810 1.00 0.00 H new ATOM 0 HA SER A 98 1.754 -25.709 -5.600 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.188 -23.395 -5.650 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.023 -24.713 -4.506 1.00 0.00 H new ATOM 0 HG SER A 98 1.609 -22.333 -4.206 1.00 0.00 H new ATOM 1646 N GLN A 99 3.018 -22.979 -6.894 1.00 0.00 N ATOM 1647 CA GLN A 99 3.357 -22.328 -8.154 1.00 0.00 C ATOM 1648 C GLN A 99 4.074 -23.301 -9.083 1.00 0.00 C ATOM 1649 O GLN A 99 3.734 -23.412 -10.262 1.00 0.00 O ATOM 1650 CB GLN A 99 4.248 -21.112 -7.892 1.00 0.00 C ATOM 1651 CG GLN A 99 3.394 -19.964 -7.351 1.00 0.00 C ATOM 1652 CD GLN A 99 3.058 -18.991 -8.476 1.00 0.00 C ATOM 1653 OE1 GLN A 99 3.156 -19.384 -9.716 1.00 0.00 O flip ATOM 1654 NE2 GLN A 99 2.699 -17.843 -8.218 1.00 0.00 N flip ATOM 0 H GLN A 99 3.430 -22.548 -6.067 1.00 0.00 H new ATOM 0 HA GLN A 99 2.434 -22.002 -8.633 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.029 -21.367 -7.176 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.746 -20.807 -8.812 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.477 -20.357 -6.913 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.930 -19.444 -6.557 1.00 0.00 H new ATOM 0 HE21 GLN A 99 2.623 -17.538 -7.248 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.477 -17.196 -8.975 1.00 0.00 H new ATOM 1663 N ILE A 100 5.064 -24.007 -8.548 1.00 0.00 N ATOM 1664 CA ILE A 100 5.817 -24.969 -9.346 1.00 0.00 C ATOM 1665 C ILE A 100 4.967 -26.202 -9.634 1.00 0.00 C ATOM 1666 O ILE A 100 4.982 -26.733 -10.745 1.00 0.00 O ATOM 1667 CB ILE A 100 7.088 -25.383 -8.604 1.00 0.00 C ATOM 1668 CG1 ILE A 100 7.972 -24.154 -8.383 1.00 0.00 C ATOM 1669 CG2 ILE A 100 7.851 -26.417 -9.437 1.00 0.00 C ATOM 1670 CD1 ILE A 100 9.139 -24.523 -7.466 1.00 0.00 C ATOM 0 H ILE A 100 5.362 -23.933 -7.575 1.00 0.00 H new ATOM 0 HA ILE A 100 6.088 -24.498 -10.291 1.00 0.00 H new ATOM 0 HB ILE A 100 6.822 -25.817 -7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.348 -23.787 -9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.388 -23.348 -7.939 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.757 -26.713 -8.909 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.221 -27.293 -9.596 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.118 -25.983 -10.400 1.00 0.00 H new ATOM 0 HD11 ILE A 100 9.769 -23.647 -7.308 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.753 -24.870 -6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.728 -25.315 -7.928 1.00 0.00 H new ATOM 1682 N LEU A 101 4.226 -26.653 -8.627 1.00 0.00 N ATOM 1683 CA LEU A 101 3.370 -27.824 -8.785 1.00 0.00 C ATOM 1684 C LEU A 101 2.376 -27.609 -9.921 1.00 0.00 C ATOM 1685 O LEU A 101 2.025 -28.546 -10.638 1.00 0.00 O ATOM 1686 CB LEU A 101 2.610 -28.095 -7.485 1.00 0.00 C ATOM 1687 CG LEU A 101 1.809 -29.391 -7.625 1.00 0.00 C ATOM 1688 CD1 LEU A 101 2.772 -30.569 -7.778 1.00 0.00 C ATOM 1689 CD2 LEU A 101 0.943 -29.595 -6.376 1.00 0.00 C ATOM 0 H LEU A 101 4.200 -26.229 -7.699 1.00 0.00 H new ATOM 0 HA LEU A 101 3.999 -28.682 -9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.309 -28.175 -6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.941 -27.264 -7.262 1.00 0.00 H new ATOM 0 HG LEU A 101 1.167 -29.330 -8.504 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.203 -31.493 -7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.387 -30.423 -8.666 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.414 -30.631 -6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.372 -30.518 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.583 -29.657 -5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.257 -28.755 -6.267 1.00 0.00 H new ATOM 1701 N ASN A 102 1.929 -26.368 -10.081 1.00 0.00 N ATOM 1702 CA ASN A 102 0.976 -26.039 -11.134 1.00 0.00 C ATOM 1703 C ASN A 102 1.637 -26.136 -12.505 1.00 0.00 C ATOM 1704 O ASN A 102 1.001 -26.517 -13.487 1.00 0.00 O ATOM 1705 CB ASN A 102 0.439 -24.622 -10.925 1.00 0.00 C ATOM 1706 CG ASN A 102 -0.151 -24.093 -12.228 1.00 0.00 C ATOM 1707 OD1 ASN A 102 -1.245 -24.496 -12.624 1.00 0.00 O ATOM 1708 ND2 ASN A 102 0.511 -23.210 -12.923 1.00 0.00 N ATOM 0 H ASN A 102 2.209 -25.578 -9.499 1.00 0.00 H new ATOM 0 HA ASN A 102 0.153 -26.752 -11.089 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -0.323 -24.624 -10.145 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.241 -23.966 -10.586 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.123 -22.852 -13.796 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.417 -22.877 -12.594 1.00 0.00 H new ATOM 1715 N LEU A 103 2.917 -25.786 -12.563 1.00 0.00 N ATOM 1716 CA LEU A 103 3.656 -25.834 -13.820 1.00 0.00 C ATOM 1717 C LEU A 103 3.711 -27.261 -14.359 1.00 0.00 C ATOM 1718 O LEU A 103 3.461 -27.498 -15.541 1.00 0.00 O ATOM 1719 CB LEU A 103 5.078 -25.312 -13.606 1.00 0.00 C ATOM 1720 CG LEU A 103 5.157 -23.852 -14.055 1.00 0.00 C ATOM 1721 CD1 LEU A 103 4.017 -23.059 -13.413 1.00 0.00 C ATOM 1722 CD2 LEU A 103 6.500 -23.257 -13.623 1.00 0.00 C ATOM 0 H LEU A 103 3.462 -25.468 -11.761 1.00 0.00 H new ATOM 0 HA LEU A 103 3.141 -25.205 -14.547 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.353 -25.396 -12.555 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.788 -25.916 -14.171 1.00 0.00 H new ATOM 0 HG LEU A 103 5.069 -23.800 -15.140 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.073 -22.018 -13.733 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.061 -23.482 -13.721 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.104 -23.110 -12.328 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.557 -22.217 -13.943 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.589 -23.308 -12.538 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.312 -23.822 -14.080 1.00 0.00 H new ATOM 1734 N GLU A 104 4.044 -28.205 -13.486 1.00 0.00 N ATOM 1735 CA GLU A 104 4.133 -29.605 -13.883 1.00 0.00 C ATOM 1736 C GLU A 104 2.856 -30.052 -14.589 1.00 0.00 C ATOM 1737 O GLU A 104 2.902 -30.841 -15.533 1.00 0.00 O ATOM 1738 CB GLU A 104 4.371 -30.481 -12.651 1.00 0.00 C ATOM 1739 CG GLU A 104 5.284 -31.652 -13.024 1.00 0.00 C ATOM 1740 CD GLU A 104 5.340 -32.655 -11.876 1.00 0.00 C ATOM 1741 OE1 GLU A 104 4.590 -32.483 -10.929 1.00 0.00 O ATOM 1742 OE2 GLU A 104 6.131 -33.580 -11.962 1.00 0.00 O ATOM 0 H GLU A 104 4.256 -28.028 -12.504 1.00 0.00 H new ATOM 0 HA GLU A 104 4.968 -29.712 -14.575 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.825 -29.891 -11.855 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.421 -30.854 -12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.914 -32.139 -13.926 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.286 -31.286 -13.247 1.00 0.00 H new ATOM 1749 N GLU A 105 1.719 -29.545 -14.125 1.00 0.00 N ATOM 1750 CA GLU A 105 0.435 -29.904 -14.719 1.00 0.00 C ATOM 1751 C GLU A 105 0.388 -29.501 -16.191 1.00 0.00 C ATOM 1752 O GLU A 105 -0.085 -30.262 -17.035 1.00 0.00 O ATOM 1753 CB GLU A 105 -0.701 -29.210 -13.965 1.00 0.00 C ATOM 1754 CG GLU A 105 -0.677 -29.642 -12.498 1.00 0.00 C ATOM 1755 CD GLU A 105 -1.824 -28.979 -11.742 1.00 0.00 C ATOM 1756 OE1 GLU A 105 -2.964 -29.301 -12.034 1.00 0.00 O ATOM 1757 OE2 GLU A 105 -1.546 -28.161 -10.880 1.00 0.00 O ATOM 0 H GLU A 105 1.659 -28.889 -13.346 1.00 0.00 H new ATOM 0 HA GLU A 105 0.316 -30.985 -14.647 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -0.593 -28.128 -14.038 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -1.660 -29.466 -14.415 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.763 -30.726 -12.428 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.275 -29.367 -12.045 1.00 0.00 H new ATOM 1764 N SER A 106 0.878 -28.303 -16.490 1.00 0.00 N ATOM 1765 CA SER A 106 0.880 -27.814 -17.864 1.00 0.00 C ATOM 1766 C SER A 106 1.715 -28.726 -18.757 1.00 0.00 C ATOM 1767 O SER A 106 1.360 -28.978 -19.908 1.00 0.00 O ATOM 1768 CB SER A 106 1.442 -26.394 -17.914 1.00 0.00 C ATOM 1769 OG SER A 106 2.245 -26.247 -19.078 1.00 0.00 O ATOM 0 H SER A 106 1.275 -27.658 -15.807 1.00 0.00 H new ATOM 0 HA SER A 106 -0.147 -27.810 -18.228 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.628 -25.669 -17.926 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.035 -26.194 -17.022 1.00 0.00 H new ATOM 0 HG SER A 106 2.606 -25.336 -19.114 1.00 0.00 H new ATOM 1775 N LYS A 107 2.827 -29.218 -18.221 1.00 0.00 N ATOM 1776 CA LYS A 107 3.703 -30.102 -18.982 1.00 0.00 C ATOM 1777 C LYS A 107 2.945 -31.345 -19.437 1.00 0.00 C ATOM 1778 O LYS A 107 3.137 -31.827 -20.553 1.00 0.00 O ATOM 1779 CB LYS A 107 4.901 -30.516 -18.126 1.00 0.00 C ATOM 1780 CG LYS A 107 5.990 -31.112 -19.022 1.00 0.00 C ATOM 1781 CD LYS A 107 6.960 -31.933 -18.169 1.00 0.00 C ATOM 1782 CE LYS A 107 8.261 -32.153 -18.941 1.00 0.00 C ATOM 1783 NZ LYS A 107 7.994 -33.003 -20.135 1.00 0.00 N ATOM 0 H LYS A 107 3.141 -29.022 -17.271 1.00 0.00 H new ATOM 0 HA LYS A 107 4.056 -29.563 -19.861 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.291 -29.653 -17.587 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.592 -31.246 -17.378 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.540 -31.743 -19.789 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.527 -30.316 -19.538 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.164 -31.415 -17.232 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.511 -32.892 -17.911 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.679 -31.195 -19.250 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.001 -32.632 -18.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.896 -33.293 -20.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.460 -33.848 -19.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.439 -32.463 -20.829 1.00 0.00 H new ATOM 1797 N ALA A 108 2.085 -31.860 -18.564 1.00 0.00 N ATOM 1798 CA ALA A 108 1.305 -33.049 -18.885 1.00 0.00 C ATOM 1799 C ALA A 108 0.497 -32.835 -20.161 1.00 0.00 C ATOM 1800 O ALA A 108 0.363 -33.743 -20.982 1.00 0.00 O ATOM 1801 CB ALA A 108 0.359 -33.381 -17.729 1.00 0.00 C ATOM 0 H ALA A 108 1.912 -31.476 -17.635 1.00 0.00 H new ATOM 0 HA ALA A 108 1.994 -33.879 -19.041 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.220 -34.271 -17.977 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.940 -33.566 -16.825 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -0.317 -32.543 -17.560 1.00 0.00 H new ATOM 1807 N THR A 109 -0.038 -31.630 -20.325 1.00 0.00 N ATOM 1808 CA THR A 109 -0.829 -31.311 -21.508 1.00 0.00 C ATOM 1809 C THR A 109 0.021 -31.440 -22.769 1.00 0.00 C ATOM 1810 O THR A 109 -0.417 -32.008 -23.770 1.00 0.00 O ATOM 1811 CB THR A 109 -1.379 -29.886 -21.405 1.00 0.00 C ATOM 1812 OG1 THR A 109 -0.312 -28.958 -21.536 1.00 0.00 O ATOM 1813 CG2 THR A 109 -2.060 -29.696 -20.048 1.00 0.00 C ATOM 0 H THR A 109 0.060 -30.863 -19.659 1.00 0.00 H new ATOM 0 HA THR A 109 -1.659 -32.015 -21.567 1.00 0.00 H new ATOM 0 HB THR A 109 -2.106 -29.719 -22.200 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.139 -28.854 -20.672 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.451 -28.681 -19.976 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.879 -30.408 -19.949 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.336 -29.863 -19.251 1.00 0.00 H new ATOM 1821 N ILE A 110 1.240 -30.912 -22.712 1.00 0.00 N ATOM 1822 CA ILE A 110 2.144 -30.977 -23.855 1.00 0.00 C ATOM 1823 C ILE A 110 2.468 -32.427 -24.199 1.00 0.00 C ATOM 1824 O ILE A 110 2.648 -32.775 -25.366 1.00 0.00 O ATOM 1825 CB ILE A 110 3.438 -30.225 -23.539 1.00 0.00 C ATOM 1826 CG1 ILE A 110 3.119 -29.003 -22.676 1.00 0.00 C ATOM 1827 CG2 ILE A 110 4.095 -29.771 -24.843 1.00 0.00 C ATOM 1828 CD1 ILE A 110 4.376 -28.143 -22.524 1.00 0.00 C ATOM 0 H ILE A 110 1.622 -30.438 -21.894 1.00 0.00 H new ATOM 0 HA ILE A 110 1.653 -30.513 -24.711 1.00 0.00 H new ATOM 0 HB ILE A 110 4.119 -30.883 -22.999 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.320 -28.420 -23.134 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.762 -29.320 -21.696 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.017 -29.235 -24.618 1.00 0.00 H new ATOM 0 HG22 ILE A 110 4.322 -30.642 -25.458 1.00 0.00 H new ATOM 0 HG23 ILE A 110 3.415 -29.112 -25.383 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.149 -27.272 -21.909 1.00 0.00 H new ATOM 0 HD12 ILE A 110 5.162 -28.729 -22.047 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.713 -27.815 -23.507 1.00 0.00 H new ATOM 1840 N HIS A 111 2.545 -33.266 -23.173 1.00 0.00 N ATOM 1841 CA HIS A 111 2.852 -34.677 -23.369 1.00 0.00 C ATOM 1842 C HIS A 111 1.731 -35.374 -24.136 1.00 0.00 C ATOM 1843 O HIS A 111 1.963 -36.367 -24.827 1.00 0.00 O ATOM 1844 CB HIS A 111 3.046 -35.359 -22.014 1.00 0.00 C ATOM 1845 CG HIS A 111 3.338 -36.819 -22.223 1.00 0.00 C ATOM 1846 ND1 HIS A 111 4.477 -37.258 -22.877 1.00 0.00 N ATOM 1847 CD2 HIS A 111 2.647 -37.951 -21.870 1.00 0.00 C ATOM 1848 CE1 HIS A 111 4.440 -38.603 -22.899 1.00 0.00 C ATOM 1849 NE2 HIS A 111 3.345 -39.077 -22.298 1.00 0.00 N ATOM 0 H HIS A 111 2.400 -32.995 -22.200 1.00 0.00 H new ATOM 0 HA HIS A 111 3.771 -34.751 -23.951 1.00 0.00 H new ATOM 0 HB2 HIS A 111 3.866 -34.888 -21.472 1.00 0.00 H new ATOM 0 HB3 HIS A 111 2.151 -35.240 -21.404 1.00 0.00 H new ATOM 0 HD2 HIS A 111 1.706 -37.966 -21.341 1.00 0.00 H new ATOM 0 HE1 HIS A 111 5.202 -39.223 -23.347 1.00 0.00 H new ATOM 0 HE2 HIS A 111 3.078 -40.054 -22.178 1.00 0.00 H new ATOM 1858 N GLU A 112 0.516 -34.852 -24.006 1.00 0.00 N ATOM 1859 CA GLU A 112 -0.634 -35.438 -24.688 1.00 0.00 C ATOM 1860 C GLU A 112 -0.645 -35.053 -26.164 1.00 0.00 C ATOM 1861 O GLU A 112 -0.826 -35.905 -27.035 1.00 0.00 O ATOM 1862 CB GLU A 112 -1.928 -34.961 -24.026 1.00 0.00 C ATOM 1863 CG GLU A 112 -3.125 -35.383 -24.881 1.00 0.00 C ATOM 1864 CD GLU A 112 -3.504 -34.258 -25.838 1.00 0.00 C ATOM 1865 OE1 GLU A 112 -3.623 -33.133 -25.383 1.00 0.00 O ATOM 1866 OE2 GLU A 112 -3.670 -34.539 -27.014 1.00 0.00 O ATOM 0 H GLU A 112 0.302 -34.031 -23.440 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.561 -36.523 -24.612 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -2.015 -35.385 -23.026 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.913 -33.877 -23.913 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -2.881 -36.284 -25.444 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.972 -35.627 -24.240 1.00 0.00 H new ATOM 1873 N ASN A 113 -0.459 -33.767 -26.440 1.00 0.00 N ATOM 1874 CA ASN A 113 -0.457 -33.283 -27.816 1.00 0.00 C ATOM 1875 C ASN A 113 0.626 -33.980 -28.636 1.00 0.00 C ATOM 1876 O ASN A 113 0.386 -34.402 -29.766 1.00 0.00 O ATOM 1877 CB ASN A 113 -0.220 -31.772 -27.836 1.00 0.00 C ATOM 1878 CG ASN A 113 -1.005 -31.106 -26.712 1.00 0.00 C ATOM 1879 OD1 ASN A 113 -1.503 -31.784 -25.815 1.00 0.00 O ATOM 1880 ND2 ASN A 113 -1.145 -29.808 -26.706 1.00 0.00 N ATOM 0 H ASN A 113 -0.309 -33.045 -25.735 1.00 0.00 H new ATOM 0 HA ASN A 113 -1.428 -33.507 -28.258 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.843 -31.561 -27.723 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.526 -31.360 -28.798 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.668 -29.355 -25.957 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.731 -29.247 -27.451 1.00 0.00 H new