USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 717 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 58 LYS NZ :NH3+ -129:sc= -0.108 (180deg=-3.61!) USER MOD Set 1.2: A 62 GLN : amide:sc= -3.29! C(o=-3.4!,f=-4.3!) USER MOD Set 2.1: A 30 MET CE :methyl -146:sc= -0.0127 (180deg=-0.218) USER MOD Set 2.2: A 44 MET CE :methyl 178:sc= -1.66! (180deg=-1.73!) USER MOD Single : A 16 THR OG1 : rot 42:sc= 0.506 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 106:sc= 0.288 USER MOD Single : A 33 SER OG : rot 14:sc= 0.444 USER MOD Single : A 37 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.5!) USER MOD Single : A 43 SER OG : rot 99:sc= 1.08 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 46 ASN : amide:sc= 0.865 K(o=0.87,f=-0.15) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 54 THR OG1 : rot 65:sc=-0.00592 USER MOD Single : A 59 SER OG : rot -6:sc= -0.154 USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 0.35 (180deg=0.313) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc=-2.07e-06 USER MOD Single : A 84 ASN : amide:sc=-0.00517 X(o=-0.0052,f=-0.14) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0911 USER MOD Single : A 88 HIS : no HD1:sc= -0.305 K(o=-0.31,f=-1.2) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -123:sc= 0.442 (180deg=0.0268) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -170:sc= -1.52 (180deg=-1.64) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -9.716 -2.182 -5.266 1.00 0.00 N ATOM 191 CA THR A 16 -10.553 -1.106 -4.750 1.00 0.00 C ATOM 192 C THR A 16 -11.461 -1.604 -3.632 1.00 0.00 C ATOM 193 O THR A 16 -12.471 -2.262 -3.886 1.00 0.00 O ATOM 194 CB THR A 16 -11.420 -0.486 -5.862 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.144 -1.513 -6.549 1.00 0.00 O ATOM 196 CG2 THR A 16 -10.561 0.285 -6.852 1.00 0.00 C ATOM 0 HA THR A 16 -9.881 -0.344 -4.356 1.00 0.00 H new ATOM 0 HB THR A 16 -12.123 0.207 -5.400 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.491 -2.159 -5.899 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.196 0.714 -7.628 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.034 1.085 -6.331 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.836 -0.390 -7.308 1.00 0.00 H new ATOM 204 N ILE A 17 -11.097 -1.286 -2.394 1.00 0.00 N ATOM 205 CA ILE A 17 -11.881 -1.701 -1.237 1.00 0.00 C ATOM 206 C ILE A 17 -12.015 -0.564 -0.229 1.00 0.00 C ATOM 207 O ILE A 17 -11.018 -0.051 0.279 1.00 0.00 O ATOM 208 CB ILE A 17 -11.251 -2.920 -0.538 1.00 0.00 C ATOM 209 CG1 ILE A 17 -11.219 -4.119 -1.488 1.00 0.00 C ATOM 210 CG2 ILE A 17 -12.022 -3.261 0.728 1.00 0.00 C ATOM 211 CD1 ILE A 17 -10.223 -5.184 -1.084 1.00 0.00 C ATOM 0 H ILE A 17 -10.264 -0.742 -2.167 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.869 -1.975 -1.606 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.226 -2.672 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.214 -4.562 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.978 -3.770 -2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.565 -4.125 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.999 -2.410 1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.056 -3.493 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.255 -6.003 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.221 -4.756 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.475 -5.561 -0.093 1.00 0.00 H new ATOM 223 N ILE A 18 -13.254 -0.179 0.057 1.00 0.00 N ATOM 224 CA ILE A 18 -13.519 0.895 1.007 1.00 0.00 C ATOM 225 C ILE A 18 -13.709 0.346 2.417 1.00 0.00 C ATOM 226 O ILE A 18 -14.414 -0.642 2.621 1.00 0.00 O ATOM 227 CB ILE A 18 -14.770 1.702 0.610 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.637 2.215 -0.826 1.00 0.00 C ATOM 229 CG2 ILE A 18 -14.981 2.859 1.575 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.405 3.063 -1.053 1.00 0.00 C ATOM 0 H ILE A 18 -14.090 -0.594 -0.355 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.651 1.554 0.989 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.640 1.047 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.613 1.364 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.522 2.799 -1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.868 3.420 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.114 2.471 2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.112 3.516 1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.376 3.392 -2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.437 3.934 -0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.513 2.476 -0.833 1.00 0.00 H new ATOM 242 N LEU A 19 -13.076 0.995 3.388 1.00 0.00 N ATOM 243 CA LEU A 19 -13.176 0.574 4.781 1.00 0.00 C ATOM 244 C LEU A 19 -14.168 1.447 5.544 1.00 0.00 C ATOM 245 O LEU A 19 -14.179 2.672 5.420 1.00 0.00 O ATOM 246 CB LEU A 19 -11.803 0.637 5.453 1.00 0.00 C ATOM 247 CG LEU A 19 -11.600 -0.292 6.651 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.633 -1.747 6.210 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.287 0.025 7.354 1.00 0.00 C ATOM 0 H LEU A 19 -12.488 1.815 3.236 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.536 -0.455 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.044 0.405 4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.627 1.662 5.779 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.416 -0.129 7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.487 -2.393 7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.597 -1.967 5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.838 -1.926 5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.158 -0.645 8.204 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.460 -0.109 6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.302 1.057 7.705 1.00 0.00 H new ATOM 261 N PRO A 20 -15.021 0.803 6.355 1.00 0.00 N ATOM 262 CA PRO A 20 -16.031 1.501 7.156 1.00 0.00 C ATOM 263 C PRO A 20 -15.412 2.312 8.289 1.00 0.00 C ATOM 264 O PRO A 20 -14.192 2.348 8.445 1.00 0.00 O ATOM 265 CB PRO A 20 -16.887 0.363 7.718 1.00 0.00 C ATOM 266 CG PRO A 20 -15.981 -0.820 7.733 1.00 0.00 C ATOM 267 CD PRO A 20 -15.065 -0.655 6.552 1.00 0.00 C ATOM 0 HA PRO A 20 -16.594 2.223 6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.249 0.597 8.719 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.764 0.183 7.096 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.414 -0.866 8.663 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.549 -1.747 7.660 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.074 -1.063 6.752 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.450 -1.168 5.671 1.00 0.00 H new ATOM 275 N GLU A 21 -16.263 2.962 9.078 1.00 0.00 N ATOM 276 CA GLU A 21 -15.798 3.773 10.197 1.00 0.00 C ATOM 277 C GLU A 21 -15.725 2.944 11.477 1.00 0.00 C ATOM 278 O GLU A 21 -15.637 3.489 12.577 1.00 0.00 O ATOM 279 CB GLU A 21 -16.724 4.973 10.406 1.00 0.00 C ATOM 280 CG GLU A 21 -18.170 4.587 10.670 1.00 0.00 C ATOM 281 CD GLU A 21 -19.045 5.785 10.984 1.00 0.00 C ATOM 282 OE1 GLU A 21 -19.186 6.662 10.106 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.589 5.845 12.106 1.00 0.00 O ATOM 0 H GLU A 21 -17.276 2.943 8.963 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.797 4.133 9.960 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.356 5.564 11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.682 5.611 9.524 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.569 4.069 9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.209 3.885 11.503 1.00 0.00 H new ATOM 290 N ASP A 22 -15.761 1.625 11.323 1.00 0.00 N ATOM 291 CA ASP A 22 -15.699 0.720 12.464 1.00 0.00 C ATOM 292 C ASP A 22 -14.303 0.124 12.609 1.00 0.00 C ATOM 293 O ASP A 22 -13.993 -0.519 13.613 1.00 0.00 O ATOM 294 CB ASP A 22 -16.732 -0.398 12.313 1.00 0.00 C ATOM 295 CG ASP A 22 -16.964 -1.151 13.608 1.00 0.00 C ATOM 296 OD1 ASP A 22 -16.177 -2.073 13.907 1.00 0.00 O ATOM 297 OD2 ASP A 22 -17.932 -0.818 14.323 1.00 0.00 O ATOM 0 H ASP A 22 -15.833 1.159 10.419 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.925 1.293 13.363 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.675 0.027 11.969 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.398 -1.096 11.545 1.00 0.00 H new ATOM 302 N ILE A 23 -13.465 0.340 11.601 1.00 0.00 N ATOM 303 CA ILE A 23 -12.102 -0.177 11.616 1.00 0.00 C ATOM 304 C ILE A 23 -11.109 0.905 12.026 1.00 0.00 C ATOM 305 O ILE A 23 -11.308 2.085 11.738 1.00 0.00 O ATOM 306 CB ILE A 23 -11.696 -0.736 10.240 1.00 0.00 C ATOM 307 CG1 ILE A 23 -12.925 -1.263 9.497 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.655 -1.834 10.400 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.800 -2.165 10.340 1.00 0.00 C ATOM 0 H ILE A 23 -13.706 0.870 10.763 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.079 -0.985 12.348 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.257 0.070 9.652 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.518 -0.418 9.148 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.598 -1.810 8.613 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.378 -2.219 9.418 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.771 -1.429 10.893 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.068 -2.642 11.003 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.652 -2.501 9.749 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.222 -3.029 10.668 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.157 -1.615 11.211 1.00 0.00 H new ATOM 321 N GLU A 24 -10.037 0.494 12.697 1.00 0.00 N ATOM 322 CA GLU A 24 -9.012 1.429 13.145 1.00 0.00 C ATOM 323 C GLU A 24 -7.786 1.367 12.239 1.00 0.00 C ATOM 324 O GLU A 24 -7.085 0.355 12.192 1.00 0.00 O ATOM 325 CB GLU A 24 -8.609 1.125 14.590 1.00 0.00 C ATOM 326 CG GLU A 24 -7.310 1.791 15.012 1.00 0.00 C ATOM 327 CD GLU A 24 -7.189 1.930 16.517 1.00 0.00 C ATOM 328 OE1 GLU A 24 -7.177 0.892 17.211 1.00 0.00 O ATOM 329 OE2 GLU A 24 -7.105 3.079 17.001 1.00 0.00 O ATOM 0 H GLU A 24 -9.856 -0.480 12.942 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.428 2.435 13.096 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.408 1.450 15.257 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.511 0.046 14.712 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.469 1.209 14.636 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.246 2.778 14.553 1.00 0.00 H new ATOM 336 N LEU A 25 -7.532 2.456 11.521 1.00 0.00 N ATOM 337 CA LEU A 25 -6.391 2.527 10.616 1.00 0.00 C ATOM 338 C LEU A 25 -5.135 2.974 11.356 1.00 0.00 C ATOM 339 O LEU A 25 -5.049 4.108 11.826 1.00 0.00 O ATOM 340 CB LEU A 25 -6.688 3.489 9.464 1.00 0.00 C ATOM 341 CG LEU A 25 -7.640 2.971 8.385 1.00 0.00 C ATOM 342 CD1 LEU A 25 -7.892 4.044 7.337 1.00 0.00 C ATOM 343 CD2 LEU A 25 -7.080 1.713 7.739 1.00 0.00 C ATOM 0 H LEU A 25 -8.101 3.302 11.548 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.216 1.530 10.213 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.107 4.405 9.881 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.744 3.758 8.989 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.591 2.721 8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.571 3.658 6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.337 4.919 7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.948 4.326 6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.771 1.359 6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.116 1.937 7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.952 0.941 8.497 1.00 0.00 H new ATOM 355 N LYS A 26 -4.161 2.075 11.455 1.00 0.00 N ATOM 356 CA LYS A 26 -2.907 2.377 12.135 1.00 0.00 C ATOM 357 C LYS A 26 -1.887 2.960 11.162 1.00 0.00 C ATOM 358 O LYS A 26 -1.781 2.539 10.010 1.00 0.00 O ATOM 359 CB LYS A 26 -2.341 1.114 12.788 1.00 0.00 C ATOM 360 CG LYS A 26 -3.019 0.750 14.098 1.00 0.00 C ATOM 361 CD LYS A 26 -3.006 -0.751 14.334 1.00 0.00 C ATOM 362 CE LYS A 26 -4.169 -1.436 13.632 1.00 0.00 C ATOM 363 NZ LYS A 26 -4.354 -2.837 14.103 1.00 0.00 N ATOM 0 H LYS A 26 -4.216 1.131 11.073 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.111 3.118 12.908 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.441 0.280 12.093 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.275 1.254 12.967 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.514 1.253 14.922 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.048 1.109 14.088 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.066 -1.169 13.974 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.056 -0.953 15.404 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.084 -0.870 13.808 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.995 -1.435 12.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.156 -3.269 13.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.490 -3.384 13.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.545 -2.837 15.125 1.00 0.00 H new ATOM 377 N PRO A 27 -1.118 3.951 11.635 1.00 0.00 N ATOM 378 CA PRO A 27 -0.091 4.612 10.823 1.00 0.00 C ATOM 379 C PRO A 27 1.095 3.698 10.532 1.00 0.00 C ATOM 380 O PRO A 27 1.985 3.535 11.367 1.00 0.00 O ATOM 381 CB PRO A 27 0.345 5.792 11.694 1.00 0.00 C ATOM 382 CG PRO A 27 0.038 5.368 13.089 1.00 0.00 C ATOM 383 CD PRO A 27 -1.190 4.504 12.998 1.00 0.00 C ATOM 0 HA PRO A 27 -0.471 4.905 9.844 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.407 6.005 11.570 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.195 6.701 11.429 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.872 4.816 13.522 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.139 6.232 13.730 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.184 3.717 13.752 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.101 5.083 13.149 1.00 0.00 H new ATOM 391 N LEU A 28 1.101 3.105 9.344 1.00 0.00 N ATOM 392 CA LEU A 28 2.178 2.207 8.942 1.00 0.00 C ATOM 393 C LEU A 28 3.430 2.993 8.567 1.00 0.00 C ATOM 394 O LEU A 28 4.546 2.600 8.903 1.00 0.00 O ATOM 395 CB LEU A 28 1.733 1.341 7.762 1.00 0.00 C ATOM 396 CG LEU A 28 2.839 0.889 6.807 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.416 -0.364 6.056 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.191 2.003 5.833 1.00 0.00 C ATOM 0 H LEU A 28 0.372 3.230 8.642 1.00 0.00 H new ATOM 0 HA LEU A 28 2.416 1.562 9.788 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.235 0.455 8.155 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.990 1.896 7.189 1.00 0.00 H new ATOM 0 HG LEU A 28 3.726 0.654 7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.215 -0.671 5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.215 -1.164 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.515 -0.156 5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.980 1.663 5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.309 2.270 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.537 2.875 6.388 1.00 0.00 H new ATOM 410 N GLY A 29 3.236 4.108 7.869 1.00 0.00 N ATOM 411 CA GLY A 29 4.358 4.933 7.462 1.00 0.00 C ATOM 412 C GLY A 29 3.949 6.039 6.509 1.00 0.00 C ATOM 413 O GLY A 29 2.779 6.416 6.451 1.00 0.00 O ATOM 0 H GLY A 29 2.322 4.454 7.578 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.822 5.372 8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.111 4.306 6.985 1.00 0.00 H new ATOM 417 N MET A 30 4.916 6.562 5.762 1.00 0.00 N ATOM 418 CA MET A 30 4.649 7.632 4.807 1.00 0.00 C ATOM 419 C MET A 30 5.471 7.444 3.536 1.00 0.00 C ATOM 420 O MET A 30 6.626 7.023 3.588 1.00 0.00 O ATOM 421 CB MET A 30 4.962 8.993 5.434 1.00 0.00 C ATOM 422 CG MET A 30 5.381 10.046 4.421 1.00 0.00 C ATOM 423 SD MET A 30 7.163 10.076 4.147 1.00 0.00 S ATOM 424 CE MET A 30 7.726 10.839 5.666 1.00 0.00 C ATOM 0 H MET A 30 5.890 6.263 5.799 1.00 0.00 H new ATOM 0 HA MET A 30 3.592 7.595 4.544 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.082 9.347 5.972 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.757 8.871 6.169 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.875 9.856 3.475 1.00 0.00 H new ATOM 0 HG3 MET A 30 5.054 11.027 4.766 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.600 11.457 5.460 1.00 0.00 H new ATOM 0 HE2 MET A 30 6.931 11.460 6.078 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.991 10.064 6.386 1.00 0.00 H new ATOM 434 N VAL A 31 4.867 7.758 2.394 1.00 0.00 N ATOM 435 CA VAL A 31 5.543 7.624 1.110 1.00 0.00 C ATOM 436 C VAL A 31 6.921 8.274 1.144 1.00 0.00 C ATOM 437 O VAL A 31 7.048 9.471 1.400 1.00 0.00 O ATOM 438 CB VAL A 31 4.717 8.256 -0.027 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.460 8.147 -1.350 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.348 7.599 -0.119 1.00 0.00 C ATOM 0 H VAL A 31 3.911 8.107 2.333 1.00 0.00 H new ATOM 0 HA VAL A 31 5.653 6.556 0.920 1.00 0.00 H new ATOM 0 HB VAL A 31 4.573 9.313 0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.862 8.598 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.415 8.667 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.637 7.097 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.778 8.057 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.468 6.534 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.816 7.734 0.823 1.00 0.00 H new ATOM 450 N SER A 32 7.952 7.477 0.882 1.00 0.00 N ATOM 451 CA SER A 32 9.323 7.974 0.886 1.00 0.00 C ATOM 452 C SER A 32 9.848 8.130 -0.538 1.00 0.00 C ATOM 453 O SER A 32 10.578 9.073 -0.842 1.00 0.00 O ATOM 454 CB SER A 32 10.229 7.026 1.674 1.00 0.00 C ATOM 455 OG SER A 32 11.301 7.730 2.278 1.00 0.00 O ATOM 0 H SER A 32 7.864 6.484 0.664 1.00 0.00 H new ATOM 0 HA SER A 32 9.327 8.953 1.366 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.647 6.515 2.441 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.623 6.258 1.009 1.00 0.00 H new ATOM 0 HG SER A 32 11.143 7.802 3.243 1.00 0.00 H new ATOM 461 N SER A 33 9.471 7.197 -1.407 1.00 0.00 N ATOM 462 CA SER A 33 9.906 7.228 -2.798 1.00 0.00 C ATOM 463 C SER A 33 8.893 6.530 -3.700 1.00 0.00 C ATOM 464 O SER A 33 7.944 5.908 -3.221 1.00 0.00 O ATOM 465 CB SER A 33 11.276 6.563 -2.941 1.00 0.00 C ATOM 466 OG SER A 33 12.311 7.427 -2.506 1.00 0.00 O ATOM 0 H SER A 33 8.865 6.411 -1.172 1.00 0.00 H new ATOM 0 HA SER A 33 9.982 8.271 -3.106 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.299 5.642 -2.359 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.442 6.287 -3.982 1.00 0.00 H new ATOM 0 HG SER A 33 11.924 8.176 -2.007 1.00 0.00 H new ATOM 472 N ILE A 34 9.100 6.639 -5.008 1.00 0.00 N ATOM 473 CA ILE A 34 8.206 6.018 -5.977 1.00 0.00 C ATOM 474 C ILE A 34 8.992 5.330 -7.088 1.00 0.00 C ATOM 475 O ILE A 34 9.866 5.935 -7.710 1.00 0.00 O ATOM 476 CB ILE A 34 7.250 7.050 -6.603 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.352 7.664 -5.527 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.412 6.401 -7.694 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.954 8.880 -4.860 1.00 0.00 C ATOM 0 H ILE A 34 9.879 7.152 -5.421 1.00 0.00 H new ATOM 0 HA ILE A 34 7.621 5.275 -5.435 1.00 0.00 H new ATOM 0 HB ILE A 34 7.842 7.847 -7.053 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.398 7.941 -5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.141 6.911 -4.768 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.741 7.143 -8.127 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.068 6.007 -8.471 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.826 5.587 -7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.263 9.262 -4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.894 8.605 -4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.140 9.651 -5.608 1.00 0.00 H new ATOM 491 N ILE A 35 8.674 4.063 -7.334 1.00 0.00 N ATOM 492 CA ILE A 35 9.349 3.295 -8.372 1.00 0.00 C ATOM 493 C ILE A 35 8.674 3.489 -9.726 1.00 0.00 C ATOM 494 O ILE A 35 7.500 3.849 -9.799 1.00 0.00 O ATOM 495 CB ILE A 35 9.373 1.792 -8.034 1.00 0.00 C ATOM 496 CG1 ILE A 35 10.252 1.537 -6.808 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.872 0.989 -9.226 1.00 0.00 C ATOM 498 CD1 ILE A 35 10.372 0.074 -6.444 1.00 0.00 C ATOM 0 H ILE A 35 7.953 3.547 -6.829 1.00 0.00 H new ATOM 0 HA ILE A 35 10.373 3.665 -8.423 1.00 0.00 H new ATOM 0 HB ILE A 35 8.357 1.470 -7.803 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.248 1.939 -6.995 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.842 2.082 -5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.883 -0.071 -8.972 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.210 1.151 -10.077 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.881 1.311 -9.485 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.009 -0.031 -5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.383 -0.329 -6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.810 -0.474 -7.278 1.00 0.00 H new ATOM 510 N GLU A 36 9.425 3.246 -10.796 1.00 0.00 N ATOM 511 CA GLU A 36 8.898 3.393 -12.147 1.00 0.00 C ATOM 512 C GLU A 36 7.411 3.051 -12.192 1.00 0.00 C ATOM 513 O GLU A 36 6.601 3.829 -12.694 1.00 0.00 O ATOM 514 CB GLU A 36 9.668 2.497 -13.119 1.00 0.00 C ATOM 515 CG GLU A 36 11.144 2.842 -13.227 1.00 0.00 C ATOM 516 CD GLU A 36 11.839 2.092 -14.346 1.00 0.00 C ATOM 517 OE1 GLU A 36 11.396 0.971 -14.674 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.826 2.626 -14.894 1.00 0.00 O ATOM 0 H GLU A 36 10.399 2.947 -10.753 1.00 0.00 H new ATOM 0 HA GLU A 36 9.023 4.434 -12.446 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.569 1.460 -12.800 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.213 2.572 -14.107 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.251 3.914 -13.392 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.636 2.614 -12.282 1.00 0.00 H new ATOM 525 N GLN A 37 7.063 1.882 -11.665 1.00 0.00 N ATOM 526 CA GLN A 37 5.675 1.436 -11.646 1.00 0.00 C ATOM 527 C GLN A 37 5.171 1.286 -10.215 1.00 0.00 C ATOM 528 O GLN A 37 4.024 1.619 -9.911 1.00 0.00 O ATOM 529 CB GLN A 37 5.533 0.108 -12.391 1.00 0.00 C ATOM 530 CG GLN A 37 6.776 -0.765 -12.320 1.00 0.00 C ATOM 531 CD GLN A 37 7.742 -0.500 -13.457 1.00 0.00 C ATOM 532 OE1 GLN A 37 7.363 0.045 -14.495 1.00 0.00 O ATOM 533 NE2 GLN A 37 8.999 -0.883 -13.269 1.00 0.00 N ATOM 0 H GLN A 37 7.723 1.227 -11.246 1.00 0.00 H new ATOM 0 HA GLN A 37 5.071 2.192 -12.147 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.688 -0.443 -11.977 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.300 0.310 -13.436 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.283 -0.592 -11.370 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.480 -1.814 -12.337 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.270 -1.331 -12.394 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.694 -0.729 -14.000 1.00 0.00 H new ATOM 542 N LEU A 38 6.034 0.783 -9.339 1.00 0.00 N ATOM 543 CA LEU A 38 5.676 0.588 -7.938 1.00 0.00 C ATOM 544 C LEU A 38 5.963 1.845 -7.123 1.00 0.00 C ATOM 545 O LEU A 38 6.559 2.799 -7.622 1.00 0.00 O ATOM 546 CB LEU A 38 6.445 -0.598 -7.355 1.00 0.00 C ATOM 547 CG LEU A 38 6.496 -1.857 -8.222 1.00 0.00 C ATOM 548 CD1 LEU A 38 5.247 -1.962 -9.083 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.746 -1.857 -9.089 1.00 0.00 C ATOM 0 H LEU A 38 6.986 0.503 -9.574 1.00 0.00 H new ATOM 0 HA LEU A 38 4.607 0.380 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.467 -0.278 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.998 -0.859 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 38 6.534 -2.726 -7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.300 -2.864 -9.693 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.366 -2.009 -8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.178 -1.089 -9.731 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.766 -2.760 -9.699 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.739 -0.981 -9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.630 -1.830 -8.452 1.00 0.00 H new ATOM 561 N VAL A 39 5.536 1.838 -5.864 1.00 0.00 N ATOM 562 CA VAL A 39 5.750 2.976 -4.978 1.00 0.00 C ATOM 563 C VAL A 39 6.437 2.546 -3.686 1.00 0.00 C ATOM 564 O VAL A 39 6.123 1.495 -3.125 1.00 0.00 O ATOM 565 CB VAL A 39 4.422 3.675 -4.632 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.668 4.864 -3.715 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.703 4.110 -5.900 1.00 0.00 C ATOM 0 H VAL A 39 5.040 1.057 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 39 6.393 3.676 -5.512 1.00 0.00 H new ATOM 0 HB VAL A 39 3.784 2.965 -4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.719 5.346 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.138 4.521 -2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.324 5.578 -4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.767 4.602 -5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.334 4.804 -6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.493 3.236 -6.517 1.00 0.00 H new ATOM 577 N ILE A 40 7.374 3.363 -3.220 1.00 0.00 N ATOM 578 CA ILE A 40 8.104 3.068 -1.994 1.00 0.00 C ATOM 579 C ILE A 40 7.516 3.825 -0.808 1.00 0.00 C ATOM 580 O ILE A 40 7.241 5.022 -0.897 1.00 0.00 O ATOM 581 CB ILE A 40 9.597 3.424 -2.127 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.193 2.763 -3.371 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.356 3.000 -0.879 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.217 1.252 -3.298 1.00 0.00 C ATOM 0 H ILE A 40 7.646 4.235 -3.673 1.00 0.00 H new ATOM 0 HA ILE A 40 8.009 1.996 -1.821 1.00 0.00 H new ATOM 0 HB ILE A 40 9.689 4.505 -2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.618 3.068 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.210 3.128 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.409 3.258 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.945 3.514 -0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.259 1.923 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.652 0.850 -4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.816 0.939 -2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.200 0.877 -3.185 1.00 0.00 H new ATOM 596 N ILE A 41 7.327 3.119 0.302 1.00 0.00 N ATOM 597 CA ILE A 41 6.774 3.726 1.507 1.00 0.00 C ATOM 598 C ILE A 41 7.677 3.479 2.711 1.00 0.00 C ATOM 599 O ILE A 41 8.012 2.337 3.024 1.00 0.00 O ATOM 600 CB ILE A 41 5.366 3.182 1.816 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.415 3.479 0.655 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.838 3.785 3.109 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.316 2.451 0.497 1.00 0.00 C ATOM 0 H ILE A 41 7.548 2.127 0.392 1.00 0.00 H new ATOM 0 HA ILE A 41 6.708 4.798 1.319 1.00 0.00 H new ATOM 0 HB ILE A 41 5.429 2.101 1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.965 4.460 0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.989 3.531 -0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.843 3.391 3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.507 3.527 3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.786 4.869 3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.680 2.725 -0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.758 1.471 0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.718 2.415 1.407 1.00 0.00 H new ATOM 615 N GLU A 42 8.067 4.558 3.382 1.00 0.00 N ATOM 616 CA GLU A 42 8.931 4.458 4.553 1.00 0.00 C ATOM 617 C GLU A 42 8.109 4.231 5.818 1.00 0.00 C ATOM 618 O GLU A 42 6.986 4.721 5.937 1.00 0.00 O ATOM 619 CB GLU A 42 9.775 5.726 4.700 1.00 0.00 C ATOM 620 CG GLU A 42 10.309 5.941 6.107 1.00 0.00 C ATOM 621 CD GLU A 42 10.997 7.282 6.271 1.00 0.00 C ATOM 622 OE1 GLU A 42 10.954 8.092 5.321 1.00 0.00 O ATOM 623 OE2 GLU A 42 11.578 7.522 7.350 1.00 0.00 O ATOM 0 H GLU A 42 7.799 5.511 3.135 1.00 0.00 H new ATOM 0 HA GLU A 42 9.593 3.603 4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.614 5.677 4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.173 6.588 4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.486 5.869 6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.012 5.144 6.351 1.00 0.00 H new ATOM 630 N SER A 43 8.677 3.485 6.760 1.00 0.00 N ATOM 631 CA SER A 43 7.996 3.189 8.015 1.00 0.00 C ATOM 632 C SER A 43 8.603 3.988 9.164 1.00 0.00 C ATOM 633 O SER A 43 9.734 4.464 9.073 1.00 0.00 O ATOM 634 CB SER A 43 8.074 1.692 8.321 1.00 0.00 C ATOM 635 OG SER A 43 8.103 0.928 7.128 1.00 0.00 O ATOM 0 H SER A 43 9.607 3.074 6.678 1.00 0.00 H new ATOM 0 HA SER A 43 6.950 3.476 7.909 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.967 1.484 8.911 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.216 1.396 8.925 1.00 0.00 H new ATOM 0 HG SER A 43 9.027 0.674 6.924 1.00 0.00 H new ATOM 641 N MET A 44 7.842 4.129 10.245 1.00 0.00 N ATOM 642 CA MET A 44 8.305 4.869 11.413 1.00 0.00 C ATOM 643 C MET A 44 8.711 3.917 12.534 1.00 0.00 C ATOM 644 O MET A 44 9.895 3.765 12.836 1.00 0.00 O ATOM 645 CB MET A 44 7.214 5.821 11.906 1.00 0.00 C ATOM 646 CG MET A 44 6.382 6.424 10.786 1.00 0.00 C ATOM 647 SD MET A 44 7.228 7.776 9.944 1.00 0.00 S ATOM 648 CE MET A 44 6.451 7.709 8.331 1.00 0.00 C ATOM 0 H MET A 44 6.903 3.741 10.336 1.00 0.00 H new ATOM 0 HA MET A 44 9.179 5.451 11.120 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.555 5.283 12.588 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.676 6.626 12.478 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.137 5.647 10.062 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.439 6.788 11.194 1.00 0.00 H new ATOM 0 HE1 MET A 44 6.844 8.509 7.704 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.662 6.746 7.865 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.373 7.830 8.441 1.00 0.00 H new ATOM 658 N THR A 45 7.720 3.277 13.148 1.00 0.00 N ATOM 659 CA THR A 45 7.974 2.342 14.236 1.00 0.00 C ATOM 660 C THR A 45 6.683 1.677 14.702 1.00 0.00 C ATOM 661 O THR A 45 5.595 2.030 14.251 1.00 0.00 O ATOM 662 CB THR A 45 8.639 3.042 15.436 1.00 0.00 C ATOM 663 OG1 THR A 45 8.870 2.098 16.488 1.00 0.00 O ATOM 664 CG2 THR A 45 7.769 4.179 15.950 1.00 0.00 C ATOM 0 H THR A 45 6.735 3.390 12.910 1.00 0.00 H new ATOM 0 HA THR A 45 8.652 1.582 13.847 1.00 0.00 H new ATOM 0 HB THR A 45 9.591 3.456 15.104 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.295 2.551 17.246 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.260 4.658 16.797 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.620 4.911 15.156 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.803 3.784 16.266 1.00 0.00 H new ATOM 672 N ASN A 46 6.813 0.714 15.609 1.00 0.00 N ATOM 673 CA ASN A 46 5.655 0.000 16.136 1.00 0.00 C ATOM 674 C ASN A 46 4.861 -0.655 15.010 1.00 0.00 C ATOM 675 O ASN A 46 3.643 -0.811 15.104 1.00 0.00 O ATOM 676 CB ASN A 46 4.755 0.956 16.921 1.00 0.00 C ATOM 677 CG ASN A 46 4.008 0.257 18.041 1.00 0.00 C ATOM 678 OD1 ASN A 46 4.345 0.408 19.216 1.00 0.00 O ATOM 679 ND2 ASN A 46 2.988 -0.513 17.681 1.00 0.00 N ATOM 0 H ASN A 46 7.707 0.410 15.994 1.00 0.00 H new ATOM 0 HA ASN A 46 6.015 -0.782 16.805 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.360 1.761 17.338 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.038 1.416 16.241 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.448 -1.009 18.390 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.744 -0.609 16.695 1.00 0.00 H new ATOM 686 N LEU A 47 5.559 -1.038 13.946 1.00 0.00 N ATOM 687 CA LEU A 47 4.919 -1.677 12.802 1.00 0.00 C ATOM 688 C LEU A 47 4.715 -3.167 13.054 1.00 0.00 C ATOM 689 O LEU A 47 5.646 -3.898 13.394 1.00 0.00 O ATOM 690 CB LEU A 47 5.763 -1.473 11.542 1.00 0.00 C ATOM 691 CG LEU A 47 5.450 -0.222 10.720 1.00 0.00 C ATOM 692 CD1 LEU A 47 6.245 0.968 11.235 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.743 -0.464 9.247 1.00 0.00 C ATOM 0 H LEU A 47 6.567 -0.917 13.852 1.00 0.00 H new ATOM 0 HA LEU A 47 3.942 -1.215 12.658 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.813 -1.439 11.834 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.639 -2.345 10.900 1.00 0.00 H new ATOM 0 HG LEU A 47 4.389 0.003 10.826 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.009 1.849 10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.985 1.156 12.277 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.311 0.753 11.160 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.514 0.437 8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.796 -0.715 9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.128 -1.288 8.884 1.00 0.00 H new ATOM 705 N PRO A 48 3.468 -3.631 12.884 1.00 0.00 N ATOM 706 CA PRO A 48 3.113 -5.039 13.086 1.00 0.00 C ATOM 707 C PRO A 48 3.702 -5.945 12.010 1.00 0.00 C ATOM 708 O PRO A 48 4.070 -5.501 10.923 1.00 0.00 O ATOM 709 CB PRO A 48 1.584 -5.034 13.003 1.00 0.00 C ATOM 710 CG PRO A 48 1.254 -3.843 12.172 1.00 0.00 C ATOM 711 CD PRO A 48 2.309 -2.817 12.481 1.00 0.00 C ATOM 0 HA PRO A 48 3.501 -5.427 14.028 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.209 -5.951 12.548 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.134 -4.963 13.993 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.254 -4.095 11.112 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.260 -3.464 12.410 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.535 -2.198 11.612 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.994 -2.144 13.278 1.00 0.00 H new ATOM 719 N PRO A 49 3.794 -7.248 12.318 1.00 0.00 N ATOM 720 CA PRO A 49 4.337 -8.244 11.390 1.00 0.00 C ATOM 721 C PRO A 49 3.416 -8.490 10.200 1.00 0.00 C ATOM 722 O PRO A 49 2.673 -9.471 10.170 1.00 0.00 O ATOM 723 CB PRO A 49 4.449 -9.506 12.250 1.00 0.00 C ATOM 724 CG PRO A 49 3.430 -9.325 13.322 1.00 0.00 C ATOM 725 CD PRO A 49 3.375 -7.848 13.596 1.00 0.00 C ATOM 0 HA PRO A 49 5.283 -7.923 10.955 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.252 -10.403 11.664 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.450 -9.612 12.669 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.457 -9.699 13.003 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.706 -9.878 14.220 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.372 -7.529 13.880 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.042 -7.565 14.410 1.00 0.00 H new ATOM 733 N VAL A 50 3.471 -7.594 9.220 1.00 0.00 N ATOM 734 CA VAL A 50 2.642 -7.715 8.026 1.00 0.00 C ATOM 735 C VAL A 50 3.452 -8.243 6.847 1.00 0.00 C ATOM 736 O VAL A 50 4.553 -7.768 6.575 1.00 0.00 O ATOM 737 CB VAL A 50 2.015 -6.363 7.639 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.705 -6.150 8.382 1.00 0.00 C ATOM 739 CG2 VAL A 50 2.986 -5.226 7.918 1.00 0.00 C ATOM 0 H VAL A 50 4.081 -6.776 9.229 1.00 0.00 H new ATOM 0 HA VAL A 50 1.846 -8.421 8.263 1.00 0.00 H new ATOM 0 HB VAL A 50 1.802 -6.374 6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.276 -5.189 8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.008 -6.949 8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.890 -6.159 9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.526 -4.278 7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.233 -5.211 8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.896 -5.373 7.336 1.00 0.00 H new ATOM 749 N ASN A 51 2.897 -9.230 6.151 1.00 0.00 N ATOM 750 CA ASN A 51 3.567 -9.824 5.000 1.00 0.00 C ATOM 751 C ASN A 51 3.091 -9.180 3.701 1.00 0.00 C ATOM 752 O ASN A 51 2.191 -8.341 3.707 1.00 0.00 O ATOM 753 CB ASN A 51 3.313 -11.332 4.958 1.00 0.00 C ATOM 754 CG ASN A 51 4.017 -12.068 6.081 1.00 0.00 C ATOM 755 OD1 ASN A 51 4.825 -11.490 6.807 1.00 0.00 O ATOM 756 ND2 ASN A 51 3.712 -13.352 6.229 1.00 0.00 N ATOM 0 H ASN A 51 1.985 -9.635 6.364 1.00 0.00 H new ATOM 0 HA ASN A 51 4.637 -9.645 5.102 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.241 -11.519 5.021 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.650 -11.728 4.000 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.154 -13.899 6.968 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.036 -13.791 5.604 1.00 0.00 H new ATOM 763 N GLU A 52 3.702 -9.580 2.590 1.00 0.00 N ATOM 764 CA GLU A 52 3.340 -9.042 1.284 1.00 0.00 C ATOM 765 C GLU A 52 1.831 -9.110 1.066 1.00 0.00 C ATOM 766 O GLU A 52 1.209 -8.131 0.655 1.00 0.00 O ATOM 767 CB GLU A 52 4.061 -9.809 0.174 1.00 0.00 C ATOM 768 CG GLU A 52 5.572 -9.841 0.338 1.00 0.00 C ATOM 769 CD GLU A 52 6.231 -10.895 -0.529 1.00 0.00 C ATOM 770 OE1 GLU A 52 6.000 -12.097 -0.279 1.00 0.00 O ATOM 771 OE2 GLU A 52 6.976 -10.520 -1.458 1.00 0.00 O ATOM 0 H GLU A 52 4.449 -10.274 2.568 1.00 0.00 H new ATOM 0 HA GLU A 52 3.648 -7.997 1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.685 -10.832 0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.818 -9.355 -0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.982 -8.862 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.816 -10.031 1.383 1.00 0.00 H new ATOM 778 N GLU A 53 1.251 -10.273 1.345 1.00 0.00 N ATOM 779 CA GLU A 53 -0.185 -10.469 1.178 1.00 0.00 C ATOM 780 C GLU A 53 -0.970 -9.374 1.894 1.00 0.00 C ATOM 781 O GLU A 53 -2.156 -9.172 1.633 1.00 0.00 O ATOM 782 CB GLU A 53 -0.600 -11.842 1.712 1.00 0.00 C ATOM 783 CG GLU A 53 -1.786 -12.446 0.980 1.00 0.00 C ATOM 784 CD GLU A 53 -1.687 -12.284 -0.524 1.00 0.00 C ATOM 785 OE1 GLU A 53 -0.558 -12.337 -1.055 1.00 0.00 O ATOM 786 OE2 GLU A 53 -2.740 -12.103 -1.171 1.00 0.00 O ATOM 0 H GLU A 53 1.752 -11.093 1.687 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.412 -10.418 0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.248 -12.523 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.844 -11.752 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.857 -13.506 1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.704 -11.976 1.333 1.00 0.00 H new ATOM 793 N THR A 54 -0.300 -8.668 2.800 1.00 0.00 N ATOM 794 CA THR A 54 -0.933 -7.595 3.555 1.00 0.00 C ATOM 795 C THR A 54 -1.379 -6.464 2.635 1.00 0.00 C ATOM 796 O THR A 54 -0.611 -5.996 1.794 1.00 0.00 O ATOM 797 CB THR A 54 0.015 -7.026 4.627 1.00 0.00 C ATOM 798 OG1 THR A 54 0.420 -8.066 5.524 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.660 -5.909 5.409 1.00 0.00 C ATOM 0 H THR A 54 0.682 -8.821 3.028 1.00 0.00 H new ATOM 0 HA THR A 54 -1.806 -8.027 4.045 1.00 0.00 H new ATOM 0 HB THR A 54 0.892 -6.617 4.125 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.951 -8.730 5.037 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.029 -5.523 6.160 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.941 -5.106 4.727 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.552 -6.297 5.900 1.00 0.00 H new ATOM 807 N VAL A 55 -2.624 -6.029 2.800 1.00 0.00 N ATOM 808 CA VAL A 55 -3.171 -4.950 1.985 1.00 0.00 C ATOM 809 C VAL A 55 -2.971 -3.597 2.658 1.00 0.00 C ATOM 810 O VAL A 55 -3.245 -3.438 3.848 1.00 0.00 O ATOM 811 CB VAL A 55 -4.672 -5.159 1.713 1.00 0.00 C ATOM 812 CG1 VAL A 55 -5.165 -4.181 0.657 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.942 -6.595 1.290 1.00 0.00 C ATOM 0 H VAL A 55 -3.273 -6.407 3.490 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.632 -4.964 1.038 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.221 -4.967 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.228 -4.344 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.008 -3.160 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.613 -4.337 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.008 -6.725 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.383 -6.818 0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.629 -7.273 2.084 1.00 0.00 H new ATOM 823 N ILE A 56 -2.491 -2.625 1.889 1.00 0.00 N ATOM 824 CA ILE A 56 -2.256 -1.285 2.411 1.00 0.00 C ATOM 825 C ILE A 56 -3.409 -0.350 2.064 1.00 0.00 C ATOM 826 O ILE A 56 -3.770 -0.198 0.897 1.00 0.00 O ATOM 827 CB ILE A 56 -0.945 -0.690 1.864 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.223 -1.642 2.130 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.679 0.671 2.489 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.564 -1.784 3.597 1.00 0.00 C ATOM 0 H ILE A 56 -2.258 -2.741 0.903 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.180 -1.377 3.494 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.045 -0.560 0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.020 -2.624 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.102 -1.285 1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.251 1.078 2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.501 1.347 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.596 0.565 3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.401 -2.473 3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.838 -0.810 4.003 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.301 -2.171 4.136 1.00 0.00 H new ATOM 842 N PHE A 57 -3.984 0.277 3.085 1.00 0.00 N ATOM 843 CA PHE A 57 -5.096 1.199 2.889 1.00 0.00 C ATOM 844 C PHE A 57 -4.607 2.644 2.860 1.00 0.00 C ATOM 845 O PHE A 57 -3.615 2.988 3.503 1.00 0.00 O ATOM 846 CB PHE A 57 -6.135 1.022 3.999 1.00 0.00 C ATOM 847 CG PHE A 57 -7.011 -0.184 3.814 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.460 -1.454 3.755 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.385 -0.047 3.700 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.264 -2.565 3.584 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.194 -1.155 3.529 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.632 -2.416 3.472 1.00 0.00 C ATOM 0 H PHE A 57 -3.698 0.163 4.057 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.558 0.972 1.928 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.621 0.944 4.957 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.762 1.913 4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.391 -1.577 3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.829 0.936 3.745 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.822 -3.549 3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.264 -1.035 3.440 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.262 -3.283 3.340 1.00 0.00 H new ATOM 862 N LYS A 58 -5.309 3.485 2.110 1.00 0.00 N ATOM 863 CA LYS A 58 -4.949 4.893 1.996 1.00 0.00 C ATOM 864 C LYS A 58 -5.570 5.707 3.126 1.00 0.00 C ATOM 865 O LYS A 58 -6.339 5.182 3.931 1.00 0.00 O ATOM 866 CB LYS A 58 -5.402 5.449 0.644 1.00 0.00 C ATOM 867 CG LYS A 58 -4.419 5.185 -0.483 1.00 0.00 C ATOM 868 CD LYS A 58 -5.127 5.046 -1.820 1.00 0.00 C ATOM 869 CE LYS A 58 -6.118 6.178 -2.046 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.754 6.098 -3.390 1.00 0.00 N ATOM 0 H LYS A 58 -6.132 3.216 1.571 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.864 4.971 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.365 5.010 0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.556 6.524 0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.697 6.000 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.857 4.275 -0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.391 5.039 -2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.650 4.090 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.889 6.144 -1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.606 7.135 -1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.672 7.018 -3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.276 5.369 -3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.759 5.851 -3.284 1.00 0.00 H new ATOM 884 N SER A 59 -5.233 6.992 3.179 1.00 0.00 N ATOM 885 CA SER A 59 -5.757 7.877 4.213 1.00 0.00 C ATOM 886 C SER A 59 -7.258 8.086 4.040 1.00 0.00 C ATOM 887 O SER A 59 -7.960 8.438 4.988 1.00 0.00 O ATOM 888 CB SER A 59 -5.035 9.226 4.172 1.00 0.00 C ATOM 889 OG SER A 59 -3.636 9.061 4.328 1.00 0.00 O ATOM 0 H SER A 59 -4.600 7.443 2.519 1.00 0.00 H new ATOM 0 HA SER A 59 -5.582 7.408 5.181 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.242 9.724 3.225 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.419 9.871 4.962 1.00 0.00 H new ATOM 0 HG SER A 59 -3.438 8.123 4.530 1.00 0.00 H new ATOM 895 N ASP A 60 -7.743 7.865 2.824 1.00 0.00 N ATOM 896 CA ASP A 60 -9.162 8.027 2.525 1.00 0.00 C ATOM 897 C ASP A 60 -9.902 6.700 2.668 1.00 0.00 C ATOM 898 O ASP A 60 -10.968 6.508 2.083 1.00 0.00 O ATOM 899 CB ASP A 60 -9.348 8.579 1.111 1.00 0.00 C ATOM 900 CG ASP A 60 -8.432 7.911 0.104 1.00 0.00 C ATOM 901 OD1 ASP A 60 -7.205 7.893 0.337 1.00 0.00 O ATOM 902 OD2 ASP A 60 -8.943 7.406 -0.917 1.00 0.00 O ATOM 0 H ASP A 60 -7.175 7.573 2.029 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.580 8.735 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.384 8.440 0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.158 9.652 1.115 1.00 0.00 H new ATOM 907 N ARG A 61 -9.328 5.789 3.446 1.00 0.00 N ATOM 908 CA ARG A 61 -9.932 4.480 3.664 1.00 0.00 C ATOM 909 C ARG A 61 -10.109 3.737 2.342 1.00 0.00 C ATOM 910 O ARG A 61 -11.079 3.003 2.158 1.00 0.00 O ATOM 911 CB ARG A 61 -11.285 4.628 4.362 1.00 0.00 C ATOM 912 CG ARG A 61 -11.277 5.640 5.496 1.00 0.00 C ATOM 913 CD ARG A 61 -12.416 5.391 6.473 1.00 0.00 C ATOM 914 NE ARG A 61 -12.147 4.253 7.348 1.00 0.00 N ATOM 915 CZ ARG A 61 -11.381 4.324 8.431 1.00 0.00 C ATOM 916 NH1 ARG A 61 -10.811 5.472 8.770 1.00 0.00 N ATOM 917 NH2 ARG A 61 -11.184 3.245 9.178 1.00 0.00 N ATOM 0 H ARG A 61 -8.445 5.933 3.936 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.264 3.901 4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.033 4.924 3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.590 3.658 4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.325 5.588 6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.360 6.647 5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.576 6.283 7.078 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.337 5.212 5.918 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.570 3.355 7.115 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.960 6.304 8.199 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.223 5.523 9.602 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.621 2.360 8.921 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.596 3.301 10.009 1.00 0.00 H new ATOM 931 N GLN A 62 -9.164 3.934 1.428 1.00 0.00 N ATOM 932 CA GLN A 62 -9.217 3.283 0.124 1.00 0.00 C ATOM 933 C GLN A 62 -7.996 2.395 -0.091 1.00 0.00 C ATOM 934 O GLN A 62 -6.860 2.870 -0.072 1.00 0.00 O ATOM 935 CB GLN A 62 -9.304 4.329 -0.988 1.00 0.00 C ATOM 936 CG GLN A 62 -10.729 4.719 -1.347 1.00 0.00 C ATOM 937 CD GLN A 62 -10.810 6.069 -2.032 1.00 0.00 C ATOM 938 OE1 GLN A 62 -11.347 7.028 -1.477 1.00 0.00 O ATOM 939 NE2 GLN A 62 -10.274 6.151 -3.244 1.00 0.00 N ATOM 0 H GLN A 62 -8.354 4.538 1.566 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.109 2.657 0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.759 5.221 -0.680 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.807 3.943 -1.878 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.156 3.958 -2.000 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.335 4.738 -0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.839 5.330 -3.666 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.297 7.035 -3.753 1.00 0.00 H new ATOM 948 N ALA A 63 -8.237 1.104 -0.294 1.00 0.00 N ATOM 949 CA ALA A 63 -7.157 0.151 -0.514 1.00 0.00 C ATOM 950 C ALA A 63 -6.233 0.617 -1.634 1.00 0.00 C ATOM 951 O ALA A 63 -6.589 0.558 -2.810 1.00 0.00 O ATOM 952 CB ALA A 63 -7.724 -1.225 -0.833 1.00 0.00 C ATOM 0 H ALA A 63 -9.171 0.694 -0.311 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.570 0.087 0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.906 -1.927 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.337 -1.568 0.000 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.336 -1.167 -1.733 1.00 0.00 H new ATOM 958 N ALA A 64 -5.044 1.080 -1.260 1.00 0.00 N ATOM 959 CA ALA A 64 -4.069 1.555 -2.233 1.00 0.00 C ATOM 960 C ALA A 64 -3.507 0.400 -3.056 1.00 0.00 C ATOM 961 O ALA A 64 -3.253 0.542 -4.251 1.00 0.00 O ATOM 962 CB ALA A 64 -2.944 2.302 -1.532 1.00 0.00 C ATOM 0 H ALA A 64 -4.734 1.136 -0.290 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.576 2.239 -2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.223 2.651 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.355 3.156 -0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.447 1.634 -0.828 1.00 0.00 H new ATOM 968 N GLY A 65 -3.315 -0.744 -2.407 1.00 0.00 N ATOM 969 CA GLY A 65 -2.784 -1.907 -3.094 1.00 0.00 C ATOM 970 C GLY A 65 -2.039 -2.842 -2.162 1.00 0.00 C ATOM 971 O GLY A 65 -1.598 -2.437 -1.086 1.00 0.00 O ATOM 0 H GLY A 65 -3.518 -0.886 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.602 -2.449 -3.570 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.113 -1.581 -3.889 1.00 0.00 H new ATOM 975 N LYS A 66 -1.899 -4.097 -2.573 1.00 0.00 N ATOM 976 CA LYS A 66 -1.203 -5.094 -1.767 1.00 0.00 C ATOM 977 C LYS A 66 0.307 -4.983 -1.950 1.00 0.00 C ATOM 978 O LYS A 66 0.794 -4.788 -3.063 1.00 0.00 O ATOM 979 CB LYS A 66 -1.671 -6.501 -2.144 1.00 0.00 C ATOM 980 CG LYS A 66 -2.884 -6.970 -1.359 1.00 0.00 C ATOM 981 CD LYS A 66 -3.137 -8.455 -1.558 1.00 0.00 C ATOM 982 CE LYS A 66 -4.572 -8.826 -1.217 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.994 -10.086 -1.889 1.00 0.00 N ATOM 0 H LYS A 66 -2.258 -4.449 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.439 -4.908 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.907 -6.523 -3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.852 -7.202 -1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.734 -6.764 -0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.762 -6.405 -1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.926 -8.726 -2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.453 -9.029 -0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.671 -8.940 -0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.237 -8.015 -1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.917 -10.386 -1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.071 -9.924 -2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.289 -10.829 -1.708 1.00 0.00 H new ATOM 997 N ILE A 67 1.042 -5.109 -0.850 1.00 0.00 N ATOM 998 CA ILE A 67 2.496 -5.025 -0.890 1.00 0.00 C ATOM 999 C ILE A 67 3.061 -5.822 -2.060 1.00 0.00 C ATOM 1000 O ILE A 67 2.589 -6.918 -2.365 1.00 0.00 O ATOM 1001 CB ILE A 67 3.126 -5.539 0.418 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.068 -4.457 1.498 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.563 -5.978 0.178 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.954 -5.009 2.902 1.00 0.00 C ATOM 0 H ILE A 67 0.654 -5.270 0.080 1.00 0.00 H new ATOM 0 HA ILE A 67 2.747 -3.972 -1.016 1.00 0.00 H new ATOM 0 HB ILE A 67 2.556 -6.402 0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.964 -3.840 1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.216 -3.805 1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.994 -6.339 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.580 -6.778 -0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.145 -5.132 -0.188 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.918 -4.185 3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.044 -5.603 2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.818 -5.637 3.117 1.00 0.00 H new ATOM 1016 N PHE A 68 4.076 -5.266 -2.713 1.00 0.00 N ATOM 1017 CA PHE A 68 4.707 -5.926 -3.851 1.00 0.00 C ATOM 1018 C PHE A 68 6.125 -6.369 -3.505 1.00 0.00 C ATOM 1019 O PHE A 68 6.665 -7.289 -4.117 1.00 0.00 O ATOM 1020 CB PHE A 68 4.734 -4.988 -5.060 1.00 0.00 C ATOM 1021 CG PHE A 68 5.712 -5.406 -6.120 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.445 -6.490 -6.941 1.00 0.00 C ATOM 1023 CD2 PHE A 68 6.900 -4.714 -6.297 1.00 0.00 C ATOM 1024 CE1 PHE A 68 6.344 -6.876 -7.916 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.803 -5.096 -7.271 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.524 -6.178 -8.083 1.00 0.00 C ATOM 0 H PHE A 68 4.479 -4.360 -2.474 1.00 0.00 H new ATOM 0 HA PHE A 68 4.120 -6.810 -4.098 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.736 -4.941 -5.496 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.983 -3.982 -4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.523 -7.039 -6.817 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.123 -3.866 -5.666 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.124 -7.724 -8.548 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.726 -4.549 -7.397 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.227 -6.477 -8.846 1.00 0.00 H new ATOM 1036 N GLU A 69 6.722 -5.705 -2.519 1.00 0.00 N ATOM 1037 CA GLU A 69 8.078 -6.030 -2.093 1.00 0.00 C ATOM 1038 C GLU A 69 8.451 -5.258 -0.831 1.00 0.00 C ATOM 1039 O GLU A 69 7.941 -4.164 -0.586 1.00 0.00 O ATOM 1040 CB GLU A 69 9.077 -5.717 -3.210 1.00 0.00 C ATOM 1041 CG GLU A 69 10.525 -5.720 -2.750 1.00 0.00 C ATOM 1042 CD GLU A 69 11.502 -5.870 -3.900 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.288 -5.226 -4.948 1.00 0.00 O ATOM 1044 OE2 GLU A 69 12.480 -6.631 -3.751 1.00 0.00 O ATOM 0 H GLU A 69 6.288 -4.940 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 69 8.116 -7.096 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.957 -6.449 -4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.841 -4.741 -3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.735 -4.792 -2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.676 -6.535 -2.042 1.00 0.00 H new ATOM 1051 N ILE A 70 9.344 -5.835 -0.033 1.00 0.00 N ATOM 1052 CA ILE A 70 9.785 -5.201 1.203 1.00 0.00 C ATOM 1053 C ILE A 70 11.304 -5.255 1.336 1.00 0.00 C ATOM 1054 O ILE A 70 11.911 -6.318 1.210 1.00 0.00 O ATOM 1055 CB ILE A 70 9.149 -5.869 2.436 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.630 -5.954 2.271 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.508 -5.100 3.699 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.945 -6.731 3.373 1.00 0.00 C ATOM 0 H ILE A 70 9.776 -6.740 -0.221 1.00 0.00 H new ATOM 0 HA ILE A 70 9.463 -4.161 1.157 1.00 0.00 H new ATOM 0 HB ILE A 70 9.543 -6.881 2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.219 -4.945 2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.402 -6.421 1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.051 -5.584 4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.591 -5.087 3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.139 -4.077 3.619 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.870 -6.750 3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.328 -7.751 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.142 -6.252 4.332 1.00 0.00 H new ATOM 1070 N PHE A 71 11.911 -4.101 1.593 1.00 0.00 N ATOM 1071 CA PHE A 71 13.359 -4.016 1.745 1.00 0.00 C ATOM 1072 C PHE A 71 13.731 -3.095 2.903 1.00 0.00 C ATOM 1073 O PHE A 71 12.898 -2.339 3.402 1.00 0.00 O ATOM 1074 CB PHE A 71 13.999 -3.511 0.450 1.00 0.00 C ATOM 1075 CG PHE A 71 13.428 -2.208 -0.033 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.906 -1.003 0.456 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.412 -2.189 -0.975 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.383 0.197 0.013 1.00 0.00 C ATOM 1079 CE2 PHE A 71 11.886 -0.992 -1.422 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.371 0.202 -0.926 1.00 0.00 C ATOM 0 H PHE A 71 11.423 -3.212 1.700 1.00 0.00 H new ATOM 0 HA PHE A 71 13.736 -5.015 1.963 1.00 0.00 H new ATOM 0 HB2 PHE A 71 15.071 -3.393 0.606 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.871 -4.265 -0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.696 -1.001 1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.027 -3.120 -1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.765 1.130 0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.096 -0.990 -2.159 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.959 1.138 -1.272 1.00 0.00 H new ATOM 1090 N GLY A 72 14.989 -3.166 3.327 1.00 0.00 N ATOM 1091 CA GLY A 72 15.451 -2.335 4.423 1.00 0.00 C ATOM 1092 C GLY A 72 15.667 -3.125 5.698 1.00 0.00 C ATOM 1093 O GLY A 72 15.675 -4.356 5.697 1.00 0.00 O ATOM 0 H GLY A 72 15.697 -3.785 2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.384 -1.849 4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.723 -1.545 4.608 1.00 0.00 H new ATOM 1097 N PRO A 73 15.850 -2.410 6.818 1.00 0.00 N ATOM 1098 CA PRO A 73 16.072 -3.032 8.127 1.00 0.00 C ATOM 1099 C PRO A 73 14.823 -3.727 8.658 1.00 0.00 C ATOM 1100 O PRO A 73 13.881 -3.989 7.910 1.00 0.00 O ATOM 1101 CB PRO A 73 16.447 -1.849 9.023 1.00 0.00 C ATOM 1102 CG PRO A 73 15.817 -0.666 8.372 1.00 0.00 C ATOM 1103 CD PRO A 73 15.853 -0.939 6.894 1.00 0.00 C ATOM 0 HA PRO A 73 16.834 -3.810 8.084 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.074 -1.987 10.038 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.529 -1.733 9.093 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.793 -0.529 8.719 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.360 0.248 8.613 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.991 -0.509 6.385 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.743 -0.514 6.429 1.00 0.00 H new ATOM 1111 N VAL A 74 14.822 -4.024 9.954 1.00 0.00 N ATOM 1112 CA VAL A 74 13.688 -4.687 10.585 1.00 0.00 C ATOM 1113 C VAL A 74 12.870 -3.706 11.417 1.00 0.00 C ATOM 1114 O VAL A 74 11.739 -3.997 11.804 1.00 0.00 O ATOM 1115 CB VAL A 74 14.148 -5.849 11.486 1.00 0.00 C ATOM 1116 CG1 VAL A 74 14.904 -5.320 12.695 1.00 0.00 C ATOM 1117 CG2 VAL A 74 12.957 -6.691 11.919 1.00 0.00 C ATOM 0 H VAL A 74 15.594 -3.816 10.587 1.00 0.00 H new ATOM 0 HA VAL A 74 13.066 -5.083 9.782 1.00 0.00 H new ATOM 0 HB VAL A 74 14.824 -6.484 10.913 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.221 -6.155 13.320 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.780 -4.763 12.361 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.254 -4.662 13.271 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.300 -7.507 12.555 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.255 -6.069 12.474 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.462 -7.101 11.039 1.00 0.00 H new ATOM 1127 N ALA A 75 13.451 -2.542 11.689 1.00 0.00 N ATOM 1128 CA ALA A 75 12.775 -1.516 12.473 1.00 0.00 C ATOM 1129 C ALA A 75 12.329 -0.355 11.590 1.00 0.00 C ATOM 1130 O ALA A 75 11.295 0.266 11.840 1.00 0.00 O ATOM 1131 CB ALA A 75 13.686 -1.016 13.585 1.00 0.00 C ATOM 0 H ALA A 75 14.388 -2.286 11.378 1.00 0.00 H new ATOM 0 HA ALA A 75 11.886 -1.961 12.919 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.168 -0.250 14.163 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.951 -1.847 14.239 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.592 -0.593 13.151 1.00 0.00 H new ATOM 1137 N HIS A 76 13.114 -0.068 10.557 1.00 0.00 N ATOM 1138 CA HIS A 76 12.799 1.019 9.637 1.00 0.00 C ATOM 1139 C HIS A 76 12.773 0.520 8.195 1.00 0.00 C ATOM 1140 O HIS A 76 13.377 1.109 7.298 1.00 0.00 O ATOM 1141 CB HIS A 76 13.819 2.149 9.780 1.00 0.00 C ATOM 1142 CG HIS A 76 14.163 2.469 11.202 1.00 0.00 C ATOM 1143 ND1 HIS A 76 13.356 3.232 12.018 1.00 0.00 N ATOM 1144 CD2 HIS A 76 15.235 2.122 11.953 1.00 0.00 C ATOM 1145 CE1 HIS A 76 13.916 3.343 13.209 1.00 0.00 C ATOM 1146 NE2 HIS A 76 15.058 2.678 13.196 1.00 0.00 N ATOM 0 H HIS A 76 13.972 -0.573 10.336 1.00 0.00 H new ATOM 0 HA HIS A 76 11.809 1.400 9.889 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.730 1.875 9.247 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.426 3.045 9.299 1.00 0.00 H new ATOM 0 HD2 HIS A 76 16.073 1.520 11.634 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.510 3.885 14.050 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.703 2.592 13.981 1.00 0.00 H new ATOM 1154 N PRO A 77 12.059 -0.592 7.966 1.00 0.00 N ATOM 1155 CA PRO A 77 11.938 -1.195 6.635 1.00 0.00 C ATOM 1156 C PRO A 77 11.100 -0.343 5.687 1.00 0.00 C ATOM 1157 O PRO A 77 10.553 0.687 6.081 1.00 0.00 O ATOM 1158 CB PRO A 77 11.242 -2.529 6.912 1.00 0.00 C ATOM 1159 CG PRO A 77 10.490 -2.308 8.179 1.00 0.00 C ATOM 1160 CD PRO A 77 11.315 -1.346 8.988 1.00 0.00 C ATOM 0 HA PRO A 77 12.906 -1.298 6.144 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.572 -2.803 6.097 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.965 -3.338 7.017 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.499 -1.900 7.979 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.346 -3.246 8.716 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.689 -0.691 9.594 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.986 -1.867 9.671 1.00 0.00 H new ATOM 1168 N PHE A 78 11.004 -0.780 4.436 1.00 0.00 N ATOM 1169 CA PHE A 78 10.232 -0.058 3.431 1.00 0.00 C ATOM 1170 C PHE A 78 9.370 -1.016 2.615 1.00 0.00 C ATOM 1171 O PHE A 78 9.861 -2.013 2.085 1.00 0.00 O ATOM 1172 CB PHE A 78 11.167 0.722 2.503 1.00 0.00 C ATOM 1173 CG PHE A 78 12.257 1.457 3.229 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.425 0.807 3.593 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.112 2.797 3.549 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.430 1.481 4.261 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.114 3.476 4.217 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.274 2.817 4.574 1.00 0.00 C ATOM 0 H PHE A 78 11.451 -1.630 4.094 1.00 0.00 H new ATOM 0 HA PHE A 78 9.576 0.643 3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.618 0.031 1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.580 1.437 1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.552 -0.238 3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.206 3.317 3.274 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.336 0.963 4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 78 12.990 4.521 4.459 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.057 3.345 5.097 1.00 0.00 H new ATOM 1188 N TYR A 79 8.081 -0.706 2.519 1.00 0.00 N ATOM 1189 CA TYR A 79 7.149 -1.541 1.771 1.00 0.00 C ATOM 1190 C TYR A 79 6.884 -0.955 0.387 1.00 0.00 C ATOM 1191 O TYR A 79 6.836 0.263 0.214 1.00 0.00 O ATOM 1192 CB TYR A 79 5.833 -1.684 2.537 1.00 0.00 C ATOM 1193 CG TYR A 79 6.014 -2.094 3.981 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.267 -1.147 4.966 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.931 -3.428 4.360 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.434 -1.517 6.286 1.00 0.00 C ATOM 1197 CE2 TYR A 79 6.095 -3.807 5.679 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.347 -2.848 6.638 1.00 0.00 C ATOM 1199 OH TYR A 79 6.512 -3.221 7.952 1.00 0.00 O ATOM 0 H TYR A 79 7.659 0.117 2.950 1.00 0.00 H new ATOM 0 HA TYR A 79 7.600 -2.526 1.649 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.297 -0.736 2.502 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.208 -2.422 2.034 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.334 -0.104 4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.735 -4.181 3.611 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.632 -0.768 7.039 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.026 -4.848 5.957 1.00 0.00 H new ATOM 0 HH TYR A 79 6.419 -4.193 8.030 1.00 0.00 H new ATOM 1209 N VAL A 80 6.710 -1.833 -0.596 1.00 0.00 N ATOM 1210 CA VAL A 80 6.448 -1.405 -1.965 1.00 0.00 C ATOM 1211 C VAL A 80 5.006 -1.696 -2.365 1.00 0.00 C ATOM 1212 O VAL A 80 4.407 -2.668 -1.904 1.00 0.00 O ATOM 1213 CB VAL A 80 7.396 -2.098 -2.962 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.150 -1.592 -4.374 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.846 -1.884 -2.554 1.00 0.00 C ATOM 0 H VAL A 80 6.746 -2.845 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 80 6.622 -0.329 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 80 7.192 -3.169 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.829 -2.093 -5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.120 -1.803 -4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.324 -0.517 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.502 -2.380 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.066 -0.817 -2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.010 -2.302 -1.561 1.00 0.00 H new ATOM 1225 N LEU A 81 4.454 -0.848 -3.226 1.00 0.00 N ATOM 1226 CA LEU A 81 3.081 -1.014 -3.690 1.00 0.00 C ATOM 1227 C LEU A 81 3.044 -1.323 -5.184 1.00 0.00 C ATOM 1228 O LEU A 81 3.833 -0.781 -5.959 1.00 0.00 O ATOM 1229 CB LEU A 81 2.267 0.247 -3.398 1.00 0.00 C ATOM 1230 CG LEU A 81 1.611 0.318 -2.018 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.581 1.436 -1.974 1.00 0.00 C ATOM 1232 CD2 LEU A 81 0.970 -1.015 -1.663 1.00 0.00 C ATOM 0 H LEU A 81 4.936 -0.039 -3.617 1.00 0.00 H new ATOM 0 HA LEU A 81 2.642 -1.855 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.921 1.112 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.487 0.335 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 81 2.383 0.534 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.125 1.472 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.068 2.388 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.189 1.251 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.508 -0.946 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.209 -1.262 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.732 -1.794 -1.652 1.00 0.00 H new ATOM 1244 N ARG A 82 2.123 -2.194 -5.580 1.00 0.00 N ATOM 1245 CA ARG A 82 1.982 -2.573 -6.981 1.00 0.00 C ATOM 1246 C ARG A 82 1.106 -1.573 -7.730 1.00 0.00 C ATOM 1247 O ARG A 82 0.104 -1.092 -7.201 1.00 0.00 O ATOM 1248 CB ARG A 82 1.384 -3.977 -7.094 1.00 0.00 C ATOM 1249 CG ARG A 82 1.085 -4.398 -8.523 1.00 0.00 C ATOM 1250 CD ARG A 82 2.341 -4.871 -9.239 1.00 0.00 C ATOM 1251 NE ARG A 82 2.780 -6.181 -8.765 1.00 0.00 N ATOM 1252 CZ ARG A 82 2.093 -7.301 -8.960 1.00 0.00 C ATOM 1253 NH1 ARG A 82 0.941 -7.271 -9.616 1.00 0.00 N ATOM 1254 NH2 ARG A 82 2.558 -8.455 -8.498 1.00 0.00 N ATOM 0 H ARG A 82 1.463 -2.651 -4.951 1.00 0.00 H new ATOM 0 HA ARG A 82 2.974 -2.570 -7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.075 -4.694 -6.650 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.464 -4.019 -6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.344 -5.197 -8.520 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.649 -3.560 -9.067 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.151 -4.918 -10.311 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.140 -4.145 -9.088 1.00 0.00 H new ATOM 0 HE ARG A 82 3.662 -6.239 -8.256 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.580 -6.386 -9.973 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.416 -8.133 -9.764 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.444 -8.482 -7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.030 -9.315 -8.648 1.00 0.00 H new ATOM 1268 N PHE A 83 1.492 -1.265 -8.964 1.00 0.00 N ATOM 1269 CA PHE A 83 0.743 -0.321 -9.785 1.00 0.00 C ATOM 1270 C PHE A 83 1.143 -0.440 -11.253 1.00 0.00 C ATOM 1271 O PHE A 83 2.327 -0.499 -11.581 1.00 0.00 O ATOM 1272 CB PHE A 83 0.975 1.110 -9.296 1.00 0.00 C ATOM 1273 CG PHE A 83 0.200 1.452 -8.056 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.177 1.604 -8.103 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.848 1.624 -6.843 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.893 1.919 -6.963 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.137 1.938 -5.700 1.00 0.00 C ATOM 1278 CZ PHE A 83 -1.235 2.087 -5.761 1.00 0.00 C ATOM 0 H PHE A 83 2.318 -1.655 -9.417 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.316 -0.561 -9.695 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.038 1.251 -9.101 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.701 1.806 -10.089 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.697 1.475 -9.041 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.921 1.511 -6.790 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.966 2.034 -7.013 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.654 2.067 -4.760 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.792 2.335 -4.870 1.00 0.00 H new ATOM 1288 N ASN A 84 0.146 -0.475 -12.131 1.00 0.00 N ATOM 1289 CA ASN A 84 0.393 -0.589 -13.564 1.00 0.00 C ATOM 1290 C ASN A 84 1.368 0.487 -14.034 1.00 0.00 C ATOM 1291 O ASN A 84 2.466 0.183 -14.499 1.00 0.00 O ATOM 1292 CB ASN A 84 -0.921 -0.477 -14.340 1.00 0.00 C ATOM 1293 CG ASN A 84 -1.680 -1.789 -14.382 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -1.128 -2.826 -14.749 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -2.953 -1.747 -14.008 1.00 0.00 N ATOM 0 H ASN A 84 -0.840 -0.426 -11.876 1.00 0.00 H new ATOM 0 HA ASN A 84 0.837 -1.566 -13.755 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.547 0.288 -13.880 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.712 -0.148 -15.358 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.516 -2.598 -14.017 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.368 -0.864 -13.711 1.00 0.00 H new ATOM 1302 N SER A 85 0.958 1.745 -13.909 1.00 0.00 N ATOM 1303 CA SER A 85 1.792 2.866 -14.324 1.00 0.00 C ATOM 1304 C SER A 85 1.600 4.060 -13.394 1.00 0.00 C ATOM 1305 O SER A 85 0.736 4.046 -12.518 1.00 0.00 O ATOM 1306 CB SER A 85 1.464 3.268 -15.763 1.00 0.00 C ATOM 1307 OG SER A 85 1.943 2.303 -16.684 1.00 0.00 O ATOM 0 H SER A 85 0.053 2.013 -13.523 1.00 0.00 H new ATOM 0 HA SER A 85 2.834 2.550 -14.271 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.386 3.379 -15.876 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.909 4.238 -15.983 1.00 0.00 H new ATOM 0 HG SER A 85 1.719 2.582 -17.596 1.00 0.00 H new ATOM 1313 N SER A 86 2.413 5.094 -13.592 1.00 0.00 N ATOM 1314 CA SER A 86 2.336 6.295 -12.770 1.00 0.00 C ATOM 1315 C SER A 86 0.895 6.781 -12.651 1.00 0.00 C ATOM 1316 O SER A 86 0.421 7.093 -11.559 1.00 0.00 O ATOM 1317 CB SER A 86 3.212 7.401 -13.361 1.00 0.00 C ATOM 1318 OG SER A 86 2.736 7.803 -14.634 1.00 0.00 O ATOM 0 H SER A 86 3.132 5.123 -14.315 1.00 0.00 H new ATOM 0 HA SER A 86 2.701 6.046 -11.773 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.226 8.258 -12.687 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.240 7.048 -13.448 1.00 0.00 H new ATOM 0 HG SER A 86 3.312 8.512 -14.990 1.00 0.00 H new ATOM 1324 N ASP A 87 0.203 6.843 -13.784 1.00 0.00 N ATOM 1325 CA ASP A 87 -1.185 7.290 -13.809 1.00 0.00 C ATOM 1326 C ASP A 87 -1.993 6.615 -12.706 1.00 0.00 C ATOM 1327 O ASP A 87 -2.718 7.275 -11.961 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.813 6.995 -15.172 1.00 0.00 C ATOM 1329 CG ASP A 87 -2.446 5.619 -15.232 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -1.697 4.620 -15.204 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -3.690 5.542 -15.306 1.00 0.00 O ATOM 0 H ASP A 87 0.581 6.589 -14.697 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.198 8.366 -13.637 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.569 7.749 -15.392 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.049 7.074 -15.946 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.864 5.296 -12.607 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.583 4.531 -11.594 1.00 0.00 C ATOM 1338 C HIS A 88 -2.445 5.182 -10.222 1.00 0.00 C ATOM 1339 O HIS A 88 -3.434 5.378 -9.515 1.00 0.00 O ATOM 1340 CB HIS A 88 -2.063 3.094 -11.545 1.00 0.00 C ATOM 1341 CG HIS A 88 -3.075 2.107 -11.051 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -3.092 0.786 -11.444 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -4.108 2.255 -10.189 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -4.092 0.163 -10.847 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.725 1.033 -10.079 1.00 0.00 N ATOM 0 H HIS A 88 -1.268 4.734 -13.216 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.639 4.518 -11.865 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.738 2.800 -12.543 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.185 3.056 -10.900 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.394 3.165 -9.682 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.349 -0.879 -10.966 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.539 0.830 -9.499 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.213 5.514 -9.851 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.946 6.143 -8.564 1.00 0.00 C ATOM 1355 C ILE A 89 -1.524 7.553 -8.510 1.00 0.00 C ATOM 1356 O ILE A 89 -2.385 7.851 -7.683 1.00 0.00 O ATOM 1357 CB ILE A 89 0.565 6.209 -8.271 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.158 4.800 -8.221 1.00 0.00 C ATOM 1359 CG2 ILE A 89 0.820 6.944 -6.964 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.644 4.301 -9.564 1.00 0.00 C ATOM 0 H ILE A 89 -0.384 5.358 -10.424 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.428 5.526 -7.806 1.00 0.00 H new ATOM 0 HB ILE A 89 1.053 6.760 -9.075 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.989 4.789 -7.516 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.405 4.111 -7.837 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.892 6.982 -6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.428 7.959 -7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.323 6.419 -6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.052 3.296 -9.453 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.811 4.279 -10.267 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.420 4.968 -9.941 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.046 8.417 -9.401 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.518 9.796 -9.455 1.00 0.00 C ATOM 1374 C GLU A 90 -3.016 9.871 -9.178 1.00 0.00 C ATOM 1375 O GLU A 90 -3.496 10.812 -8.547 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.209 10.410 -10.822 1.00 0.00 C ATOM 1377 CG GLU A 90 0.272 10.645 -11.064 1.00 0.00 C ATOM 1378 CD GLU A 90 0.535 11.504 -12.286 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -0.046 12.606 -12.373 1.00 0.00 O ATOM 1380 OE2 GLU A 90 1.323 11.074 -13.154 1.00 0.00 O ATOM 0 H GLU A 90 -0.334 8.187 -10.094 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.996 10.362 -8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.596 9.754 -11.601 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.738 11.359 -10.913 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.708 11.124 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.773 9.685 -11.185 1.00 0.00 H new ATOM 1387 N SER A 91 -3.751 8.871 -9.656 1.00 0.00 N ATOM 1388 CA SER A 91 -5.195 8.824 -9.465 1.00 0.00 C ATOM 1389 C SER A 91 -5.541 8.540 -8.006 1.00 0.00 C ATOM 1390 O SER A 91 -6.349 9.243 -7.398 1.00 0.00 O ATOM 1391 CB SER A 91 -5.816 7.755 -10.366 1.00 0.00 C ATOM 1392 OG SER A 91 -7.205 7.979 -10.540 1.00 0.00 O ATOM 0 H SER A 91 -3.369 8.083 -10.178 1.00 0.00 H new ATOM 0 HA SER A 91 -5.604 9.798 -9.734 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.319 7.759 -11.336 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.655 6.769 -9.930 1.00 0.00 H new ATOM 0 HG SER A 91 -7.578 7.284 -11.121 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.924 7.503 -7.450 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.163 7.124 -6.062 1.00 0.00 C ATOM 1400 C LYS A 92 -4.953 8.312 -5.129 1.00 0.00 C ATOM 1401 O LYS A 92 -5.654 8.460 -4.129 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.236 5.975 -5.659 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.383 4.740 -6.530 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.645 3.965 -6.190 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.511 2.494 -6.553 1.00 0.00 C ATOM 1406 NZ LYS A 92 -6.835 1.863 -6.810 1.00 0.00 N ATOM 0 H LYS A 92 -4.254 6.910 -7.939 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.199 6.795 -5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.203 6.320 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.437 5.704 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.407 5.034 -7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.513 4.096 -6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.856 4.060 -5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.493 4.396 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.883 2.394 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.007 1.965 -5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.701 0.861 -7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.425 1.935 -5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.305 2.351 -7.599 1.00 0.00 H new ATOM 1420 N GLY A 93 -3.984 9.158 -5.465 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.701 10.324 -4.647 1.00 0.00 C ATOM 1422 C GLY A 93 -2.451 10.152 -3.807 1.00 0.00 C ATOM 1423 O GLY A 93 -2.106 11.026 -3.011 1.00 0.00 O ATOM 0 H GLY A 93 -3.390 9.057 -6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.586 11.196 -5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.551 10.520 -3.993 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.773 9.023 -3.982 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.555 8.740 -3.232 1.00 0.00 C ATOM 1429 C ILE A 94 0.612 9.579 -3.743 1.00 0.00 C ATOM 1430 O ILE A 94 0.792 9.743 -4.949 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.176 7.250 -3.315 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.399 6.374 -3.030 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.947 6.934 -2.339 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.311 4.996 -3.647 1.00 0.00 C ATOM 0 H ILE A 94 -2.046 8.290 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.757 8.997 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 94 0.175 7.035 -4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.521 6.273 -1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.291 6.875 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.204 5.877 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.822 7.537 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.622 7.161 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.211 4.431 -3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.220 5.087 -4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.438 4.476 -3.252 1.00 0.00 H new ATOM 1446 N LYS A 95 1.404 10.106 -2.815 1.00 0.00 N ATOM 1447 CA LYS A 95 2.557 10.926 -3.170 1.00 0.00 C ATOM 1448 C LYS A 95 3.520 11.047 -1.993 1.00 0.00 C ATOM 1449 O LYS A 95 3.202 10.644 -0.874 1.00 0.00 O ATOM 1450 CB LYS A 95 2.102 12.317 -3.616 1.00 0.00 C ATOM 1451 CG LYS A 95 1.210 13.018 -2.606 1.00 0.00 C ATOM 1452 CD LYS A 95 2.008 13.525 -1.416 1.00 0.00 C ATOM 1453 CE LYS A 95 1.193 14.492 -0.570 1.00 0.00 C ATOM 1454 NZ LYS A 95 1.958 14.976 0.612 1.00 0.00 N ATOM 0 H LYS A 95 1.269 9.980 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 95 3.078 10.440 -3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 95 2.980 12.935 -3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.567 12.229 -4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.701 13.853 -3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.438 12.330 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.325 12.681 -0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.913 14.021 -1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.891 15.343 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.280 14.000 -0.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.431 14.755 1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.886 14.507 0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.092 16.005 0.541 1.00 0.00 H new ATOM 1468 N ILE A 96 4.697 11.607 -2.253 1.00 0.00 N ATOM 1469 CA ILE A 96 5.704 11.784 -1.215 1.00 0.00 C ATOM 1470 C ILE A 96 5.125 12.511 -0.006 1.00 0.00 C ATOM 1471 O ILE A 96 4.301 13.414 -0.146 1.00 0.00 O ATOM 1472 CB ILE A 96 6.921 12.570 -1.738 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.539 11.855 -2.941 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.952 12.748 -0.634 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.053 10.469 -2.621 1.00 0.00 C ATOM 0 H ILE A 96 4.976 11.946 -3.174 1.00 0.00 H new ATOM 0 HA ILE A 96 6.027 10.787 -0.916 1.00 0.00 H new ATOM 0 HB ILE A 96 6.587 13.557 -2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.794 11.783 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.360 12.458 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.806 13.305 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.506 13.296 0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.285 11.770 -0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.477 10.022 -3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.822 10.535 -1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.231 9.850 -2.261 1.00 0.00 H new ATOM 1487 N LYS A 97 5.565 12.112 1.183 1.00 0.00 N ATOM 1488 CA LYS A 97 5.094 12.727 2.419 1.00 0.00 C ATOM 1489 C LYS A 97 3.621 12.410 2.657 1.00 0.00 C ATOM 1490 O LYS A 97 2.877 13.236 3.185 1.00 0.00 O ATOM 1491 CB LYS A 97 5.299 14.243 2.369 1.00 0.00 C ATOM 1492 CG LYS A 97 6.719 14.653 2.020 1.00 0.00 C ATOM 1493 CD LYS A 97 7.611 14.677 3.250 1.00 0.00 C ATOM 1494 CE LYS A 97 9.080 14.555 2.876 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.588 15.787 2.213 1.00 0.00 N ATOM 0 H LYS A 97 6.247 11.365 1.317 1.00 0.00 H new ATOM 0 HA LYS A 97 5.674 12.315 3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.616 14.670 1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.034 14.669 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.129 13.959 1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.710 15.639 1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.450 15.605 3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.335 13.860 3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.668 14.356 3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.216 13.702 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.593 15.664 1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.044 15.963 1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.482 16.597 2.857 1.00 0.00 H new ATOM 1509 N GLU A 98 3.208 11.209 2.265 1.00 0.00 N ATOM 1510 CA GLU A 98 1.823 10.784 2.437 1.00 0.00 C ATOM 1511 C GLU A 98 1.730 9.617 3.416 1.00 0.00 C ATOM 1512 O GLU A 98 2.191 8.512 3.130 1.00 0.00 O ATOM 1513 CB GLU A 98 1.218 10.384 1.090 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.291 10.211 1.129 1.00 0.00 C ATOM 1515 CD GLU A 98 -1.023 11.521 1.343 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -1.030 12.356 0.414 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -1.590 11.712 2.440 1.00 0.00 O ATOM 0 H GLU A 98 3.812 10.513 1.827 1.00 0.00 H new ATOM 0 HA GLU A 98 1.260 11.624 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.469 11.142 0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.674 9.451 0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.626 9.761 0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.553 9.518 1.928 1.00 0.00 H new ATOM 1524 N THR A 99 1.130 9.871 4.575 1.00 0.00 N ATOM 1525 CA THR A 99 0.977 8.844 5.598 1.00 0.00 C ATOM 1526 C THR A 99 -0.075 7.818 5.193 1.00 0.00 C ATOM 1527 O THR A 99 -1.171 8.175 4.763 1.00 0.00 O ATOM 1528 CB THR A 99 0.584 9.457 6.955 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.292 10.684 7.162 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.887 8.493 8.092 1.00 0.00 C ATOM 0 H THR A 99 0.742 10.780 4.828 1.00 0.00 H new ATOM 0 HA THR A 99 1.944 8.350 5.697 1.00 0.00 H new ATOM 0 HB THR A 99 -0.488 9.654 6.943 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.035 11.068 8.026 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.601 8.948 9.040 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.324 7.571 7.947 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.954 8.268 8.104 1.00 0.00 H new ATOM 1538 N MET A 100 0.266 6.541 5.334 1.00 0.00 N ATOM 1539 CA MET A 100 -0.651 5.462 4.984 1.00 0.00 C ATOM 1540 C MET A 100 -1.032 4.651 6.219 1.00 0.00 C ATOM 1541 O MET A 100 -0.479 4.852 7.300 1.00 0.00 O ATOM 1542 CB MET A 100 -0.019 4.547 3.934 1.00 0.00 C ATOM 1543 CG MET A 100 0.649 5.300 2.794 1.00 0.00 C ATOM 1544 SD MET A 100 -0.518 6.283 1.833 1.00 0.00 S ATOM 1545 CE MET A 100 -1.107 5.060 0.664 1.00 0.00 C ATOM 0 H MET A 100 1.170 6.228 5.688 1.00 0.00 H new ATOM 0 HA MET A 100 -1.556 5.907 4.570 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.719 3.908 4.418 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.788 3.892 3.525 1.00 0.00 H new ATOM 0 HG2 MET A 100 1.422 5.954 3.199 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.147 4.588 2.136 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.699 5.551 -0.109 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.256 4.556 0.205 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.725 4.328 1.184 1.00 0.00 H new ATOM 1555 N TYR A 101 -1.979 3.735 6.050 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.436 2.896 7.151 1.00 0.00 C ATOM 1557 C TYR A 101 -2.891 1.531 6.644 1.00 0.00 C ATOM 1558 O TYR A 101 -3.020 1.315 5.438 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.579 3.581 7.902 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.344 5.054 8.149 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.378 5.967 7.102 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.088 5.533 9.427 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.164 7.314 7.322 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -2.874 6.878 9.657 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.913 7.765 8.601 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.699 9.105 8.825 1.00 0.00 O ATOM 0 H TYR A 101 -2.445 3.555 5.161 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.599 2.749 7.833 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.501 3.459 7.333 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.726 3.080 8.859 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.575 5.618 6.099 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.056 4.841 10.256 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.193 8.010 6.497 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.677 7.233 10.658 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.538 9.255 9.780 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.135 0.613 7.573 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.576 -0.732 7.221 1.00 0.00 C ATOM 1578 C PHE A 102 -4.724 -1.181 8.122 1.00 0.00 C ATOM 1579 O PHE A 102 -5.080 -0.495 9.079 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.412 -1.718 7.330 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.646 -1.602 8.616 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.283 -1.771 9.835 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.288 -1.325 8.607 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.581 -1.664 11.021 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.420 -1.217 9.790 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.228 -1.388 10.998 1.00 0.00 C ATOM 0 H PHE A 102 -3.035 0.775 8.575 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.932 -0.713 6.191 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.797 -2.734 7.236 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.730 -1.557 6.495 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.341 -1.989 9.859 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.223 -1.192 7.665 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.090 -1.796 11.964 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.478 -0.999 9.770 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.323 -1.306 11.923 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.298 -2.336 7.806 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.404 -2.878 8.586 1.00 0.00 C ATOM 1598 C ALA A 103 -6.188 -4.356 8.891 1.00 0.00 C ATOM 1599 O ALA A 103 -5.510 -5.062 8.143 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.719 -2.676 7.849 1.00 0.00 C ATOM 0 H ALA A 103 -5.016 -2.915 7.015 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.445 -2.341 9.533 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.536 -3.086 8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.886 -1.611 7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.679 -3.187 6.887 1.00 0.00 H new