USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 808 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 29 TYR OH : rot 30:sc= 0.432 USER MOD Set 1.2: A 97 THR OG1 : rot -100:sc= 0.146 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.97! C(o=-2!,f=-11!) USER MOD Single : A 39 ASN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.11 USER MOD Single : A 53 SER OG : rot 115:sc= 0.662 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 170:sc= -0.815 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.175 K(o=-0.17,f=-1.2) USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= -0.0507 (180deg=-0.321) USER MOD Single : A 77 SER OG : rot -94:sc= 1.67 USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 150:sc= -0.18 USER MOD Single : A 87 CYS SG : rot 130:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0.53 K(o=0.53,f=-2.1!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc=-0.00326 X(o=-0.0033,f=-0.15) USER MOD Single : A 107 HIS : no HD1:sc= -0.443 K(o=-0.44,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 13 -5.249 2.644 4.194 1.00 54.42 N ATOM 178 CA ALA A 13 -4.271 1.918 4.994 1.00 13.11 C ATOM 179 C ALA A 13 -4.869 0.634 5.560 1.00 52.43 C ATOM 180 O ALA A 13 -4.167 -0.359 5.746 1.00 64.30 O ATOM 181 CB ALA A 13 -3.750 2.800 6.119 1.00 52.20 C ATOM 0 HA ALA A 13 -3.438 1.645 4.345 1.00 13.11 H new ATOM 0 HB1 ALA A 13 -3.020 2.245 6.708 1.00 52.20 H new ATOM 0 HB2 ALA A 13 -3.277 3.686 5.697 1.00 52.20 H new ATOM 0 HB3 ALA A 13 -4.579 3.102 6.759 1.00 52.20 H new ATOM 187 N ASP A 14 -6.169 0.662 5.831 1.00 12.55 N ATOM 188 CA ASP A 14 -6.862 -0.500 6.376 1.00 42.31 C ATOM 189 C ASP A 14 -6.790 -1.677 5.409 1.00 60.32 C ATOM 190 O ASP A 14 -6.195 -2.710 5.717 1.00 54.31 O ATOM 191 CB ASP A 14 -8.322 -0.157 6.674 1.00 52.54 C ATOM 192 CG ASP A 14 -8.839 -0.853 7.917 1.00 23.21 C ATOM 193 OD1 ASP A 14 -8.453 -0.441 9.031 1.00 72.11 O ATOM 194 OD2 ASP A 14 -9.628 -1.811 7.776 1.00 22.15 O ATOM 0 H ASP A 14 -6.765 1.477 5.682 1.00 12.55 H new ATOM 0 HA ASP A 14 -6.368 -0.785 7.305 1.00 42.31 H new ATOM 0 HB2 ASP A 14 -8.421 0.921 6.798 1.00 52.54 H new ATOM 0 HB3 ASP A 14 -8.939 -0.438 5.821 1.00 52.54 H new ATOM 199 N GLU A 15 -7.401 -1.514 4.239 1.00 23.43 N ATOM 200 CA GLU A 15 -7.407 -2.565 3.229 1.00 71.44 C ATOM 201 C GLU A 15 -5.987 -3.032 2.920 1.00 53.23 C ATOM 202 O GLU A 15 -5.740 -4.224 2.734 1.00 23.11 O ATOM 203 CB GLU A 15 -8.082 -2.069 1.949 1.00 53.34 C ATOM 204 CG GLU A 15 -9.583 -2.307 1.920 1.00 64.32 C ATOM 205 CD GLU A 15 -10.367 -1.163 2.532 1.00 52.04 C ATOM 206 OE1 GLU A 15 -10.152 -0.006 2.115 1.00 4.34 O ATOM 207 OE2 GLU A 15 -11.197 -1.426 3.427 1.00 14.30 O ATOM 0 H GLU A 15 -7.897 -0.665 3.968 1.00 23.43 H new ATOM 0 HA GLU A 15 -7.971 -3.410 3.625 1.00 71.44 H new ATOM 0 HB2 GLU A 15 -7.890 -1.002 1.837 1.00 53.34 H new ATOM 0 HB3 GLU A 15 -7.627 -2.566 1.092 1.00 53.34 H new ATOM 0 HG2 GLU A 15 -9.904 -2.452 0.889 1.00 64.32 H new ATOM 0 HG3 GLU A 15 -9.812 -3.227 2.457 1.00 64.32 H new ATOM 214 N LEU A 16 -5.058 -2.084 2.866 1.00 53.24 N ATOM 215 CA LEU A 16 -3.662 -2.396 2.579 1.00 55.14 C ATOM 216 C LEU A 16 -3.071 -3.291 3.663 1.00 44.41 C ATOM 217 O LEU A 16 -2.423 -4.294 3.367 1.00 34.50 O ATOM 218 CB LEU A 16 -2.845 -1.108 2.462 1.00 71.24 C ATOM 219 CG LEU A 16 -1.419 -1.264 1.932 1.00 20.25 C ATOM 220 CD1 LEU A 16 -0.492 -1.756 3.033 1.00 31.22 C ATOM 221 CD2 LEU A 16 -1.392 -2.215 0.745 1.00 22.40 C ATOM 0 H LEU A 16 -5.246 -1.093 3.017 1.00 53.24 H new ATOM 0 HA LEU A 16 -3.622 -2.931 1.630 1.00 55.14 H new ATOM 0 HB2 LEU A 16 -3.381 -0.420 1.809 1.00 71.24 H new ATOM 0 HB3 LEU A 16 -2.797 -0.641 3.446 1.00 71.24 H new ATOM 0 HG LEU A 16 -1.067 -0.288 1.598 1.00 20.25 H new ATOM 0 HD11 LEU A 16 0.518 -1.861 2.638 1.00 31.22 H new ATOM 0 HD12 LEU A 16 -0.488 -1.038 3.853 1.00 31.22 H new ATOM 0 HD13 LEU A 16 -0.841 -2.722 3.398 1.00 31.22 H new ATOM 0 HD21 LEU A 16 -0.369 -2.314 0.381 1.00 22.40 H new ATOM 0 HD22 LEU A 16 -1.763 -3.192 1.053 1.00 22.40 H new ATOM 0 HD23 LEU A 16 -2.024 -1.821 -0.051 1.00 22.40 H new ATOM 233 N GLU A 17 -3.299 -2.920 4.919 1.00 71.00 N ATOM 234 CA GLU A 17 -2.789 -3.691 6.047 1.00 51.31 C ATOM 235 C GLU A 17 -3.560 -4.998 6.205 1.00 23.23 C ATOM 236 O GLU A 17 -3.136 -5.897 6.932 1.00 2.34 O ATOM 237 CB GLU A 17 -2.882 -2.872 7.336 1.00 1.22 C ATOM 238 CG GLU A 17 -2.066 -3.446 8.482 1.00 31.31 C ATOM 239 CD GLU A 17 -0.832 -2.621 8.791 1.00 12.21 C ATOM 240 OE1 GLU A 17 -0.969 -1.577 9.463 1.00 62.21 O ATOM 241 OE2 GLU A 17 0.270 -3.019 8.361 1.00 65.42 O ATOM 0 H GLU A 17 -3.833 -2.091 5.181 1.00 71.00 H new ATOM 0 HA GLU A 17 -1.743 -3.928 5.850 1.00 51.31 H new ATOM 0 HB2 GLU A 17 -2.546 -1.855 7.135 1.00 1.22 H new ATOM 0 HB3 GLU A 17 -3.926 -2.808 7.641 1.00 1.22 H new ATOM 0 HG2 GLU A 17 -2.691 -3.506 9.373 1.00 31.31 H new ATOM 0 HG3 GLU A 17 -1.765 -4.464 8.234 1.00 31.31 H new ATOM 248 N ARG A 18 -4.694 -5.096 5.520 1.00 72.40 N ATOM 249 CA ARG A 18 -5.525 -6.292 5.586 1.00 73.45 C ATOM 250 C ARG A 18 -5.009 -7.366 4.632 1.00 52.01 C ATOM 251 O ARG A 18 -4.977 -8.549 4.973 1.00 43.14 O ATOM 252 CB ARG A 18 -6.977 -5.949 5.247 1.00 72.52 C ATOM 253 CG ARG A 18 -7.994 -6.713 6.080 1.00 4.11 C ATOM 254 CD ARG A 18 -9.178 -5.836 6.455 1.00 52.04 C ATOM 255 NE ARG A 18 -10.414 -6.605 6.569 1.00 73.42 N ATOM 256 CZ ARG A 18 -11.611 -6.053 6.737 1.00 63.24 C ATOM 257 NH1 ARG A 18 -11.732 -4.735 6.809 1.00 41.11 N ATOM 258 NH2 ARG A 18 -12.689 -6.820 6.832 1.00 73.31 N ATOM 0 H ARG A 18 -5.059 -4.362 4.913 1.00 72.40 H new ATOM 0 HA ARG A 18 -5.478 -6.681 6.603 1.00 73.45 H new ATOM 0 HB2 ARG A 18 -7.132 -4.880 5.391 1.00 72.52 H new ATOM 0 HB3 ARG A 18 -7.154 -6.158 4.192 1.00 72.52 H new ATOM 0 HG2 ARG A 18 -8.345 -7.581 5.522 1.00 4.11 H new ATOM 0 HG3 ARG A 18 -7.516 -7.088 6.985 1.00 4.11 H new ATOM 0 HD2 ARG A 18 -8.973 -5.336 7.402 1.00 52.04 H new ATOM 0 HD3 ARG A 18 -9.304 -5.056 5.704 1.00 52.04 H new ATOM 0 HE ARG A 18 -10.355 -7.622 6.517 1.00 73.42 H new ATOM 0 HH11 ARG A 18 -10.905 -4.142 6.735 1.00 41.11 H new ATOM 0 HH12 ARG A 18 -12.652 -4.314 6.938 1.00 41.11 H new ATOM 0 HH21 ARG A 18 -12.600 -7.835 6.776 1.00 73.31 H new ATOM 0 HH22 ARG A 18 -13.607 -6.395 6.961 1.00 73.31 H new ATOM 272 N ILE A 19 -4.608 -6.945 3.437 1.00 23.32 N ATOM 273 CA ILE A 19 -4.093 -7.871 2.435 1.00 10.44 C ATOM 274 C ILE A 19 -2.947 -8.706 2.996 1.00 41.12 C ATOM 275 O ILE A 19 -2.080 -8.193 3.704 1.00 32.21 O ATOM 276 CB ILE A 19 -3.604 -7.125 1.179 1.00 21.44 C ATOM 277 CG1 ILE A 19 -4.748 -6.321 0.559 1.00 1.54 C ATOM 278 CG2 ILE A 19 -3.033 -8.109 0.169 1.00 4.10 C ATOM 279 CD1 ILE A 19 -4.313 -4.984 0.000 1.00 22.04 C ATOM 0 H ILE A 19 -4.630 -5.970 3.139 1.00 23.32 H new ATOM 0 HA ILE A 19 -4.917 -8.529 2.159 1.00 10.44 H new ATOM 0 HB ILE A 19 -2.814 -6.432 1.470 1.00 21.44 H new ATOM 0 HG12 ILE A 19 -5.204 -6.908 -0.238 1.00 1.54 H new ATOM 0 HG13 ILE A 19 -5.517 -6.157 1.314 1.00 1.54 H new ATOM 0 HG21 ILE A 19 -2.691 -7.568 -0.713 1.00 4.10 H new ATOM 0 HG22 ILE A 19 -2.194 -8.642 0.615 1.00 4.10 H new ATOM 0 HG23 ILE A 19 -3.804 -8.823 -0.119 1.00 4.10 H new ATOM 0 HD11 ILE A 19 -5.175 -4.469 -0.423 1.00 22.04 H new ATOM 0 HD12 ILE A 19 -3.884 -4.378 0.798 1.00 22.04 H new ATOM 0 HD13 ILE A 19 -3.566 -5.141 -0.778 1.00 22.04 H new ATOM 291 N ARG A 20 -2.948 -9.995 2.672 1.00 13.13 N ATOM 292 CA ARG A 20 -1.908 -10.902 3.143 1.00 52.21 C ATOM 293 C ARG A 20 -0.971 -11.293 2.004 1.00 54.44 C ATOM 294 O ARG A 20 -1.403 -11.469 0.863 1.00 1.33 O ATOM 295 CB ARG A 20 -2.534 -12.156 3.756 1.00 52.14 C ATOM 296 CG ARG A 20 -3.723 -12.688 2.972 1.00 62.41 C ATOM 297 CD ARG A 20 -5.036 -12.145 3.514 1.00 63.14 C ATOM 298 NE ARG A 20 -5.446 -12.826 4.739 1.00 72.35 N ATOM 299 CZ ARG A 20 -6.575 -12.559 5.385 1.00 11.44 C ATOM 300 NH1 ARG A 20 -7.402 -11.629 4.926 1.00 23.22 N ATOM 301 NH2 ARG A 20 -6.879 -13.221 6.494 1.00 72.41 N ATOM 0 H ARG A 20 -3.657 -10.435 2.085 1.00 13.13 H new ATOM 0 HA ARG A 20 -1.328 -10.384 3.906 1.00 52.21 H new ATOM 0 HB2 ARG A 20 -1.775 -12.936 3.822 1.00 52.14 H new ATOM 0 HB3 ARG A 20 -2.852 -11.933 4.775 1.00 52.14 H new ATOM 0 HG2 ARG A 20 -3.620 -12.413 1.922 1.00 62.41 H new ATOM 0 HG3 ARG A 20 -3.732 -13.777 3.017 1.00 62.41 H new ATOM 0 HD2 ARG A 20 -4.934 -11.078 3.710 1.00 63.14 H new ATOM 0 HD3 ARG A 20 -5.814 -12.258 2.759 1.00 63.14 H new ATOM 0 HE ARG A 20 -4.832 -13.546 5.119 1.00 72.35 H new ATOM 0 HH11 ARG A 20 -7.171 -11.117 4.075 1.00 23.22 H new ATOM 0 HH12 ARG A 20 -8.269 -11.426 5.424 1.00 23.22 H new ATOM 0 HH21 ARG A 20 -6.245 -13.936 6.851 1.00 72.41 H new ATOM 0 HH22 ARG A 20 -7.747 -13.015 6.989 1.00 72.41 H new ATOM 315 N LEU A 21 0.312 -11.426 2.319 1.00 30.03 N ATOM 316 CA LEU A 21 1.311 -11.796 1.322 1.00 12.43 C ATOM 317 C LEU A 21 0.979 -13.145 0.693 1.00 54.31 C ATOM 318 O LEU A 21 1.308 -13.398 -0.466 1.00 24.22 O ATOM 319 CB LEU A 21 2.701 -11.845 1.959 1.00 60.25 C ATOM 320 CG LEU A 21 3.310 -10.498 2.348 1.00 55.52 C ATOM 321 CD1 LEU A 21 4.663 -10.695 3.012 1.00 43.01 C ATOM 322 CD2 LEU A 21 3.438 -9.598 1.127 1.00 23.01 C ATOM 0 H LEU A 21 0.686 -11.283 3.257 1.00 30.03 H new ATOM 0 HA LEU A 21 1.304 -11.039 0.538 1.00 12.43 H new ATOM 0 HB2 LEU A 21 2.648 -12.468 2.852 1.00 60.25 H new ATOM 0 HB3 LEU A 21 3.379 -12.341 1.265 1.00 60.25 H new ATOM 0 HG LEU A 21 2.645 -10.014 3.063 1.00 55.52 H new ATOM 0 HD11 LEU A 21 5.081 -9.725 3.282 1.00 43.01 H new ATOM 0 HD12 LEU A 21 4.543 -11.301 3.910 1.00 43.01 H new ATOM 0 HD13 LEU A 21 5.337 -11.201 2.321 1.00 43.01 H new ATOM 0 HD21 LEU A 21 3.873 -8.643 1.423 1.00 23.01 H new ATOM 0 HD22 LEU A 21 4.081 -10.077 0.388 1.00 23.01 H new ATOM 0 HD23 LEU A 21 2.452 -9.429 0.695 1.00 23.01 H new ATOM 334 N ARG A 22 0.322 -14.006 1.464 1.00 43.14 N ATOM 335 CA ARG A 22 -0.056 -15.329 0.981 1.00 4.31 C ATOM 336 C ARG A 22 -1.490 -15.663 1.379 1.00 72.12 C ATOM 337 O ARG A 22 -2.039 -15.116 2.336 1.00 64.30 O ATOM 338 CB ARG A 22 0.899 -16.389 1.534 1.00 13.45 C ATOM 339 CG ARG A 22 1.824 -16.983 0.485 1.00 75.01 C ATOM 340 CD ARG A 22 2.110 -18.450 0.762 1.00 63.50 C ATOM 341 NE ARG A 22 2.990 -19.036 -0.246 1.00 3.01 N ATOM 342 CZ ARG A 22 3.428 -20.289 -0.200 1.00 61.35 C ATOM 343 NH1 ARG A 22 3.069 -21.085 0.798 1.00 40.43 N ATOM 344 NH2 ARG A 22 4.226 -20.749 -1.155 1.00 64.53 N ATOM 0 H ARG A 22 0.041 -13.811 2.425 1.00 43.14 H new ATOM 0 HA ARG A 22 0.009 -15.324 -0.107 1.00 4.31 H new ATOM 0 HB2 ARG A 22 1.501 -15.945 2.327 1.00 13.45 H new ATOM 0 HB3 ARG A 22 0.315 -17.190 1.987 1.00 13.45 H new ATOM 0 HG2 ARG A 22 1.372 -16.879 -0.501 1.00 75.01 H new ATOM 0 HG3 ARG A 22 2.761 -16.426 0.466 1.00 75.01 H new ATOM 0 HD2 ARG A 22 2.568 -18.550 1.746 1.00 63.50 H new ATOM 0 HD3 ARG A 22 1.171 -19.003 0.790 1.00 63.50 H new ATOM 0 HE ARG A 22 3.284 -18.451 -1.028 1.00 3.01 H new ATOM 0 HH11 ARG A 22 2.455 -20.736 1.533 1.00 40.43 H new ATOM 0 HH12 ARG A 22 3.407 -22.047 0.830 1.00 40.43 H new ATOM 0 HH21 ARG A 22 4.503 -20.140 -1.925 1.00 64.53 H new ATOM 0 HH22 ARG A 22 4.562 -21.711 -1.119 1.00 64.53 H new ATOM 358 N PRO A 23 -2.114 -16.582 0.627 1.00 20.42 N ATOM 359 CA PRO A 23 -3.493 -17.010 0.882 1.00 23.42 C ATOM 360 C PRO A 23 -3.618 -17.829 2.162 1.00 31.43 C ATOM 361 O PRO A 23 -4.636 -17.771 2.851 1.00 3.42 O ATOM 362 CB PRO A 23 -3.828 -17.871 -0.338 1.00 73.14 C ATOM 363 CG PRO A 23 -2.511 -18.368 -0.825 1.00 40.25 C ATOM 364 CD PRO A 23 -1.521 -17.275 -0.529 1.00 31.30 C ATOM 0 HA PRO A 23 -4.164 -16.162 1.020 1.00 23.42 H new ATOM 0 HB2 PRO A 23 -4.488 -18.696 -0.071 1.00 73.14 H new ATOM 0 HB3 PRO A 23 -4.339 -17.289 -1.105 1.00 73.14 H new ATOM 0 HG2 PRO A 23 -2.233 -19.294 -0.321 1.00 40.25 H new ATOM 0 HG3 PRO A 23 -2.546 -18.584 -1.893 1.00 40.25 H new ATOM 0 HD2 PRO A 23 -0.536 -17.678 -0.294 1.00 31.30 H new ATOM 0 HD3 PRO A 23 -1.397 -16.604 -1.379 1.00 31.30 H new ATOM 372 N GLY A 24 -2.576 -18.593 2.475 1.00 22.44 N ATOM 373 CA GLY A 24 -2.590 -19.413 3.673 1.00 71.23 C ATOM 374 C GLY A 24 -1.599 -18.935 4.715 1.00 42.31 C ATOM 375 O GLY A 24 -1.271 -19.663 5.651 1.00 55.20 O ATOM 0 H GLY A 24 -1.722 -18.659 1.921 1.00 22.44 H new ATOM 0 HA2 GLY A 24 -3.593 -19.409 4.101 1.00 71.23 H new ATOM 0 HA3 GLY A 24 -2.362 -20.445 3.406 1.00 71.23 H new ATOM 379 N GLY A 25 -1.118 -17.706 4.552 1.00 44.12 N ATOM 380 CA GLY A 25 -0.161 -17.153 5.493 1.00 50.14 C ATOM 381 C GLY A 25 -0.804 -16.199 6.480 1.00 42.34 C ATOM 382 O GLY A 25 -2.026 -16.053 6.508 1.00 0.21 O ATOM 0 H GLY A 25 -1.374 -17.084 3.785 1.00 44.12 H new ATOM 0 HA2 GLY A 25 0.319 -17.966 6.038 1.00 50.14 H new ATOM 0 HA3 GLY A 25 0.623 -16.630 4.945 1.00 50.14 H new ATOM 386 N LYS A 26 0.021 -15.548 7.293 1.00 14.41 N ATOM 387 CA LYS A 26 -0.473 -14.602 8.287 1.00 33.33 C ATOM 388 C LYS A 26 0.253 -13.266 8.175 1.00 11.41 C ATOM 389 O LYS A 26 0.075 -12.378 9.010 1.00 21.51 O ATOM 390 CB LYS A 26 -0.297 -15.174 9.696 1.00 12.31 C ATOM 391 CG LYS A 26 -0.852 -16.579 9.856 1.00 5.32 C ATOM 392 CD LYS A 26 -0.601 -17.121 11.253 1.00 23.32 C ATOM 393 CE LYS A 26 -1.693 -16.693 12.222 1.00 64.23 C ATOM 394 NZ LYS A 26 -1.182 -16.574 13.616 1.00 52.15 N ATOM 0 H LYS A 26 1.035 -15.658 7.283 1.00 14.41 H new ATOM 0 HA LYS A 26 -1.534 -14.435 8.098 1.00 33.33 H new ATOM 0 HB2 LYS A 26 0.764 -15.181 9.946 1.00 12.31 H new ATOM 0 HB3 LYS A 26 -0.789 -14.514 10.411 1.00 12.31 H new ATOM 0 HG2 LYS A 26 -1.923 -16.573 9.654 1.00 5.32 H new ATOM 0 HG3 LYS A 26 -0.392 -17.239 9.120 1.00 5.32 H new ATOM 0 HD2 LYS A 26 -0.550 -18.209 11.218 1.00 23.32 H new ATOM 0 HD3 LYS A 26 0.365 -16.768 11.613 1.00 23.32 H new ATOM 0 HE2 LYS A 26 -2.106 -15.736 11.904 1.00 64.23 H new ATOM 0 HE3 LYS A 26 -2.507 -17.417 12.194 1.00 64.23 H new ATOM 0 HZ1 LYS A 26 -1.956 -16.281 14.246 1.00 52.15 H new ATOM 0 HZ2 LYS A 26 -0.811 -17.494 13.929 1.00 52.15 H new ATOM 0 HZ3 LYS A 26 -0.422 -15.865 13.648 1.00 52.15 H new ATOM 408 N LYS A 27 1.071 -13.127 7.137 1.00 32.11 N ATOM 409 CA LYS A 27 1.822 -11.898 6.913 1.00 2.22 C ATOM 410 C LYS A 27 1.004 -10.901 6.098 1.00 2.03 C ATOM 411 O LYS A 27 0.444 -11.246 5.058 1.00 53.54 O ATOM 412 CB LYS A 27 3.137 -12.204 6.193 1.00 4.31 C ATOM 413 CG LYS A 27 4.113 -13.016 7.027 1.00 32.02 C ATOM 414 CD LYS A 27 5.510 -12.993 6.431 1.00 62.22 C ATOM 415 CE LYS A 27 5.975 -14.390 6.047 1.00 42.41 C ATOM 416 NZ LYS A 27 7.454 -14.529 6.148 1.00 23.25 N ATOM 0 H LYS A 27 1.231 -13.852 6.437 1.00 32.11 H new ATOM 0 HA LYS A 27 2.041 -11.454 7.884 1.00 2.22 H new ATOM 0 HB2 LYS A 27 2.920 -12.746 5.273 1.00 4.31 H new ATOM 0 HB3 LYS A 27 3.611 -11.265 5.906 1.00 4.31 H new ATOM 0 HG2 LYS A 27 4.143 -12.620 8.042 1.00 32.02 H new ATOM 0 HG3 LYS A 27 3.763 -14.046 7.097 1.00 32.02 H new ATOM 0 HD2 LYS A 27 5.521 -12.350 5.551 1.00 62.22 H new ATOM 0 HD3 LYS A 27 6.206 -12.561 7.150 1.00 62.22 H new ATOM 0 HE2 LYS A 27 5.496 -15.123 6.696 1.00 42.41 H new ATOM 0 HE3 LYS A 27 5.658 -14.611 5.028 1.00 42.41 H new ATOM 0 HZ1 LYS A 27 7.731 -15.494 5.878 1.00 23.25 H new ATOM 0 HZ2 LYS A 27 7.911 -13.847 5.510 1.00 23.25 H new ATOM 0 HZ3 LYS A 27 7.754 -14.343 7.126 1.00 23.25 H new ATOM 430 N LYS A 28 0.941 -9.663 6.577 1.00 32.22 N ATOM 431 CA LYS A 28 0.194 -8.615 5.892 1.00 1.34 C ATOM 432 C LYS A 28 1.135 -7.552 5.335 1.00 44.22 C ATOM 433 O LYS A 28 2.200 -7.296 5.897 1.00 44.51 O ATOM 434 CB LYS A 28 -0.812 -7.969 6.848 1.00 20.32 C ATOM 435 CG LYS A 28 -1.591 -8.973 7.680 1.00 71.30 C ATOM 436 CD LYS A 28 -3.088 -8.725 7.597 1.00 43.44 C ATOM 437 CE LYS A 28 -3.879 -9.999 7.848 1.00 53.15 C ATOM 438 NZ LYS A 28 -4.404 -10.061 9.240 1.00 41.11 N ATOM 0 H LYS A 28 1.399 -9.361 7.437 1.00 32.22 H new ATOM 0 HA LYS A 28 -0.344 -9.071 5.061 1.00 1.34 H new ATOM 0 HB2 LYS A 28 -0.282 -7.290 7.516 1.00 20.32 H new ATOM 0 HB3 LYS A 28 -1.513 -7.366 6.271 1.00 20.32 H new ATOM 0 HG2 LYS A 28 -1.369 -9.983 7.335 1.00 71.30 H new ATOM 0 HG3 LYS A 28 -1.269 -8.913 8.720 1.00 71.30 H new ATOM 0 HD2 LYS A 28 -3.374 -7.968 8.328 1.00 43.44 H new ATOM 0 HD3 LYS A 28 -3.338 -8.328 6.613 1.00 43.44 H new ATOM 0 HE2 LYS A 28 -4.709 -10.056 7.144 1.00 53.15 H new ATOM 0 HE3 LYS A 28 -3.243 -10.864 7.661 1.00 53.15 H new ATOM 0 HZ1 LYS A 28 -4.937 -10.944 9.371 1.00 41.11 H new ATOM 0 HZ2 LYS A 28 -3.611 -10.033 9.912 1.00 41.11 H new ATOM 0 HZ3 LYS A 28 -5.031 -9.249 9.411 1.00 41.11 H new ATOM 452 N TYR A 29 0.735 -6.936 4.228 1.00 3.21 N ATOM 453 CA TYR A 29 1.544 -5.901 3.594 1.00 31.23 C ATOM 454 C TYR A 29 1.784 -4.736 4.549 1.00 12.13 C ATOM 455 O TYR A 29 0.898 -4.353 5.314 1.00 22.21 O ATOM 456 CB TYR A 29 0.861 -5.399 2.321 1.00 71.30 C ATOM 457 CG TYR A 29 1.182 -6.225 1.096 1.00 72.31 C ATOM 458 CD1 TYR A 29 2.460 -6.227 0.551 1.00 71.34 C ATOM 459 CD2 TYR A 29 0.207 -7.003 0.483 1.00 41.20 C ATOM 460 CE1 TYR A 29 2.758 -6.980 -0.569 1.00 53.20 C ATOM 461 CE2 TYR A 29 0.496 -7.760 -0.636 1.00 2.40 C ATOM 462 CZ TYR A 29 1.773 -7.745 -1.158 1.00 53.43 C ATOM 463 OH TYR A 29 2.064 -8.496 -2.274 1.00 3.13 O ATOM 0 H TYR A 29 -0.144 -7.135 3.751 1.00 3.21 H new ATOM 0 HA TYR A 29 2.508 -6.338 3.333 1.00 31.23 H new ATOM 0 HB2 TYR A 29 -0.218 -5.396 2.475 1.00 71.30 H new ATOM 0 HB3 TYR A 29 1.160 -4.366 2.141 1.00 71.30 H new ATOM 0 HD1 TYR A 29 3.234 -5.630 1.010 1.00 71.34 H new ATOM 0 HD2 TYR A 29 -0.794 -7.016 0.888 1.00 41.20 H new ATOM 0 HE1 TYR A 29 3.756 -6.969 -0.981 1.00 53.20 H new ATOM 0 HE2 TYR A 29 -0.273 -8.360 -1.099 1.00 2.40 H new ATOM 0 HH TYR A 29 3.005 -8.769 -2.248 1.00 3.13 H new ATOM 473 N ARG A 30 2.988 -4.176 4.498 1.00 11.21 N ATOM 474 CA ARG A 30 3.346 -3.054 5.358 1.00 21.42 C ATOM 475 C ARG A 30 4.383 -2.161 4.683 1.00 15.11 C ATOM 476 O ARG A 30 4.957 -2.524 3.656 1.00 73.42 O ATOM 477 CB ARG A 30 3.889 -3.563 6.695 1.00 14.43 C ATOM 478 CG ARG A 30 3.277 -2.871 7.903 1.00 62.31 C ATOM 479 CD ARG A 30 2.992 -3.858 9.024 1.00 10.14 C ATOM 480 NE ARG A 30 4.218 -4.419 9.585 1.00 4.31 N ATOM 481 CZ ARG A 30 5.013 -3.759 10.420 1.00 24.11 C ATOM 482 NH1 ARG A 30 4.712 -2.522 10.790 1.00 41.15 N ATOM 483 NH2 ARG A 30 6.112 -4.337 10.888 1.00 64.22 N ATOM 0 H ARG A 30 3.732 -4.481 3.870 1.00 11.21 H new ATOM 0 HA ARG A 30 2.447 -2.465 5.538 1.00 21.42 H new ATOM 0 HB2 ARG A 30 3.704 -4.635 6.768 1.00 14.43 H new ATOM 0 HB3 ARG A 30 4.970 -3.424 6.716 1.00 14.43 H new ATOM 0 HG2 ARG A 30 3.955 -2.096 8.262 1.00 62.31 H new ATOM 0 HG3 ARG A 30 2.352 -2.375 7.610 1.00 62.31 H new ATOM 0 HD2 ARG A 30 2.428 -3.358 9.812 1.00 10.14 H new ATOM 0 HD3 ARG A 30 2.364 -4.665 8.646 1.00 10.14 H new ATOM 0 HE ARG A 30 4.478 -5.369 9.321 1.00 4.31 H new ATOM 0 HH11 ARG A 30 3.868 -2.074 10.433 1.00 41.15 H new ATOM 0 HH12 ARG A 30 5.325 -2.018 11.431 1.00 41.15 H new ATOM 0 HH21 ARG A 30 6.347 -5.289 10.607 1.00 64.22 H new ATOM 0 HH22 ARG A 30 6.722 -3.829 11.529 1.00 64.22 H new ATOM 497 N LEU A 31 4.617 -0.991 5.267 1.00 52.45 N ATOM 498 CA LEU A 31 5.584 -0.044 4.722 1.00 71.14 C ATOM 499 C LEU A 31 6.909 -0.735 4.415 1.00 12.13 C ATOM 500 O LEU A 31 7.611 -0.366 3.473 1.00 35.41 O ATOM 501 CB LEU A 31 5.811 1.106 5.704 1.00 15.22 C ATOM 502 CG LEU A 31 5.633 2.516 5.139 1.00 2.15 C ATOM 503 CD1 LEU A 31 4.169 2.927 5.179 1.00 63.54 C ATOM 504 CD2 LEU A 31 6.489 3.511 5.910 1.00 33.13 C ATOM 0 H LEU A 31 4.151 -0.675 6.117 1.00 52.45 H new ATOM 0 HA LEU A 31 5.180 0.356 3.792 1.00 71.14 H new ATOM 0 HB2 LEU A 31 5.125 0.983 6.542 1.00 15.22 H new ATOM 0 HB3 LEU A 31 6.821 1.021 6.104 1.00 15.22 H new ATOM 0 HG LEU A 31 5.960 2.514 4.099 1.00 2.15 H new ATOM 0 HD11 LEU A 31 4.062 3.933 4.773 1.00 63.54 H new ATOM 0 HD12 LEU A 31 3.579 2.231 4.583 1.00 63.54 H new ATOM 0 HD13 LEU A 31 3.815 2.912 6.210 1.00 63.54 H new ATOM 0 HD21 LEU A 31 6.350 4.509 5.495 1.00 33.13 H new ATOM 0 HD22 LEU A 31 6.192 3.510 6.959 1.00 33.13 H new ATOM 0 HD23 LEU A 31 7.538 3.227 5.829 1.00 33.13 H new ATOM 516 N LYS A 32 7.245 -1.740 5.216 1.00 31.42 N ATOM 517 CA LYS A 32 8.484 -2.486 5.030 1.00 73.52 C ATOM 518 C LYS A 32 8.585 -3.026 3.607 1.00 43.44 C ATOM 519 O LYS A 32 9.626 -2.905 2.959 1.00 12.11 O ATOM 520 CB LYS A 32 8.563 -3.641 6.031 1.00 61.31 C ATOM 521 CG LYS A 32 9.730 -3.530 6.997 1.00 41.14 C ATOM 522 CD LYS A 32 11.061 -3.523 6.264 1.00 24.32 C ATOM 523 CE LYS A 32 12.224 -3.744 7.220 1.00 43.54 C ATOM 524 NZ LYS A 32 12.792 -2.456 7.708 1.00 63.51 N ATOM 0 H LYS A 32 6.676 -2.057 6.001 1.00 31.42 H new ATOM 0 HA LYS A 32 9.318 -1.806 5.202 1.00 73.52 H new ATOM 0 HB2 LYS A 32 7.634 -3.682 6.600 1.00 61.31 H new ATOM 0 HB3 LYS A 32 8.643 -4.580 5.484 1.00 61.31 H new ATOM 0 HG2 LYS A 32 9.632 -2.617 7.584 1.00 41.14 H new ATOM 0 HG3 LYS A 32 9.704 -4.364 7.698 1.00 41.14 H new ATOM 0 HD2 LYS A 32 11.062 -4.302 5.502 1.00 24.32 H new ATOM 0 HD3 LYS A 32 11.188 -2.572 5.748 1.00 24.32 H new ATOM 0 HE2 LYS A 32 11.888 -4.338 8.070 1.00 43.54 H new ATOM 0 HE3 LYS A 32 13.003 -4.318 6.718 1.00 43.54 H new ATOM 0 HZ1 LYS A 32 13.582 -2.648 8.357 1.00 63.51 H new ATOM 0 HZ2 LYS A 32 13.136 -1.900 6.899 1.00 63.51 H new ATOM 0 HZ3 LYS A 32 12.055 -1.919 8.209 1.00 63.51 H new ATOM 538 N HIS A 33 7.498 -3.620 3.124 1.00 2.54 N ATOM 539 CA HIS A 33 7.464 -4.176 1.776 1.00 41.31 C ATOM 540 C HIS A 33 7.550 -3.068 0.730 1.00 14.52 C ATOM 541 O HIS A 33 8.162 -3.317 -0.309 1.00 15.11 O ATOM 542 CB HIS A 33 6.187 -4.990 1.569 1.00 73.11 C ATOM 543 CG HIS A 33 5.993 -6.069 2.590 1.00 71.45 C ATOM 544 ND1 HIS A 33 4.990 -6.040 3.535 1.00 73.11 N ATOM 545 CD2 HIS A 33 6.681 -7.214 2.809 1.00 74.42 C ATOM 546 CE1 HIS A 33 5.070 -7.120 4.292 1.00 55.13 C ATOM 547 NE2 HIS A 33 6.087 -7.849 3.871 1.00 22.41 N ATOM 0 H HIS A 33 6.629 -3.729 3.647 1.00 2.54 H new ATOM 0 HA HIS A 33 8.327 -4.832 1.658 1.00 41.31 H new ATOM 0 HB2 HIS A 33 5.329 -4.318 1.595 1.00 73.11 H new ATOM 0 HB3 HIS A 33 6.209 -5.440 0.576 1.00 73.11 H new ATOM 0 HD2 HIS A 33 7.538 -7.563 2.252 1.00 74.42 H new ATOM 0 HE1 HIS A 33 4.415 -7.365 5.115 1.00 55.13 H new ATOM 0 HE2 HIS A 33 6.383 -8.740 4.270 1.00 22.41 H new ATOM 555 N ILE A 34 6.974 -1.894 0.967 1.00 13.24 N ATOM 556 CA ILE A 34 7.030 -0.806 -0.001 1.00 61.13 C ATOM 557 C ILE A 34 8.462 -0.320 -0.200 1.00 31.51 C ATOM 558 O ILE A 34 8.862 0.029 -1.310 1.00 41.24 O ATOM 559 CB ILE A 34 6.153 0.382 0.435 1.00 53.13 C ATOM 560 CG1 ILE A 34 4.765 -0.107 0.855 1.00 63.30 C ATOM 561 CG2 ILE A 34 6.043 1.400 -0.690 1.00 52.34 C ATOM 562 CD1 ILE A 34 3.814 1.011 1.218 1.00 42.51 C ATOM 0 H ILE A 34 6.463 -1.672 1.821 1.00 13.24 H new ATOM 0 HA ILE A 34 6.649 -1.202 -0.942 1.00 61.13 H new ATOM 0 HB ILE A 34 6.622 0.865 1.292 1.00 53.13 H new ATOM 0 HG12 ILE A 34 4.333 -0.691 0.042 1.00 63.30 H new ATOM 0 HG13 ILE A 34 4.868 -0.777 1.709 1.00 63.30 H new ATOM 0 HG21 ILE A 34 5.420 2.234 -0.367 1.00 52.34 H new ATOM 0 HG22 ILE A 34 7.037 1.768 -0.947 1.00 52.34 H new ATOM 0 HG23 ILE A 34 5.594 0.929 -1.564 1.00 52.34 H new ATOM 0 HD11 ILE A 34 2.850 0.590 1.505 1.00 42.51 H new ATOM 0 HD12 ILE A 34 4.224 1.581 2.052 1.00 42.51 H new ATOM 0 HD13 ILE A 34 3.681 1.669 0.359 1.00 42.51 H new ATOM 574 N VAL A 35 9.231 -0.303 0.884 1.00 31.13 N ATOM 575 CA VAL A 35 10.620 0.137 0.829 1.00 31.45 C ATOM 576 C VAL A 35 11.473 -0.836 0.023 1.00 72.11 C ATOM 577 O VAL A 35 12.326 -0.425 -0.763 1.00 4.52 O ATOM 578 CB VAL A 35 11.220 0.279 2.241 1.00 55.50 C ATOM 579 CG1 VAL A 35 12.677 0.706 2.161 1.00 24.13 C ATOM 580 CG2 VAL A 35 10.410 1.269 3.066 1.00 43.15 C ATOM 0 H VAL A 35 8.916 -0.589 1.811 1.00 31.13 H new ATOM 0 HA VAL A 35 10.624 1.111 0.340 1.00 31.45 H new ATOM 0 HB VAL A 35 11.178 -0.692 2.735 1.00 55.50 H new ATOM 0 HG11 VAL A 35 13.084 0.801 3.168 1.00 24.13 H new ATOM 0 HG12 VAL A 35 13.246 -0.042 1.609 1.00 24.13 H new ATOM 0 HG13 VAL A 35 12.747 1.666 1.649 1.00 24.13 H new ATOM 0 HG21 VAL A 35 10.847 1.357 4.060 1.00 43.15 H new ATOM 0 HG22 VAL A 35 10.419 2.243 2.577 1.00 43.15 H new ATOM 0 HG23 VAL A 35 9.382 0.916 3.152 1.00 43.15 H new ATOM 590 N TRP A 36 11.236 -2.127 0.222 1.00 33.43 N ATOM 591 CA TRP A 36 11.982 -3.160 -0.487 1.00 44.04 C ATOM 592 C TRP A 36 11.649 -3.147 -1.975 1.00 70.51 C ATOM 593 O TRP A 36 12.473 -3.523 -2.808 1.00 40.03 O ATOM 594 CB TRP A 36 11.677 -4.537 0.105 1.00 45.13 C ATOM 595 CG TRP A 36 12.386 -5.656 -0.598 1.00 13.44 C ATOM 596 CD1 TRP A 36 13.522 -6.292 -0.187 1.00 43.21 C ATOM 597 CD2 TRP A 36 12.005 -6.268 -1.834 1.00 70.24 C ATOM 598 NE1 TRP A 36 13.871 -7.263 -1.094 1.00 61.13 N ATOM 599 CE2 TRP A 36 12.956 -7.269 -2.113 1.00 71.44 C ATOM 600 CE3 TRP A 36 10.953 -6.070 -2.732 1.00 75.11 C ATOM 601 CZ2 TRP A 36 12.884 -8.067 -3.252 1.00 42.25 C ATOM 602 CZ3 TRP A 36 10.883 -6.862 -3.862 1.00 60.32 C ATOM 603 CH2 TRP A 36 11.843 -7.851 -4.114 1.00 63.12 C ATOM 0 H TRP A 36 10.533 -2.484 0.869 1.00 33.43 H new ATOM 0 HA TRP A 36 13.045 -2.950 -0.370 1.00 44.04 H new ATOM 0 HB2 TRP A 36 11.959 -4.542 1.158 1.00 45.13 H new ATOM 0 HB3 TRP A 36 10.602 -4.713 0.062 1.00 45.13 H new ATOM 0 HD1 TRP A 36 14.066 -6.065 0.718 1.00 43.21 H new ATOM 0 HE1 TRP A 36 14.680 -7.879 -1.020 1.00 61.13 H new ATOM 0 HE3 TRP A 36 10.207 -5.311 -2.546 1.00 75.11 H new ATOM 0 HZ2 TRP A 36 13.623 -8.829 -3.448 1.00 42.25 H new ATOM 0 HZ3 TRP A 36 10.074 -6.716 -4.563 1.00 60.32 H new ATOM 0 HH2 TRP A 36 11.760 -8.455 -5.006 1.00 63.12 H new ATOM 614 N ALA A 37 10.436 -2.713 -2.302 1.00 21.23 N ATOM 615 CA ALA A 37 9.995 -2.650 -3.690 1.00 24.03 C ATOM 616 C ALA A 37 10.518 -1.392 -4.375 1.00 22.01 C ATOM 617 O ALA A 37 11.185 -1.467 -5.406 1.00 63.33 O ATOM 618 CB ALA A 37 8.477 -2.701 -3.764 1.00 74.51 C ATOM 0 H ALA A 37 9.741 -2.400 -1.624 1.00 21.23 H new ATOM 0 HA ALA A 37 10.402 -3.514 -4.215 1.00 24.03 H new ATOM 0 HB1 ALA A 37 8.162 -2.653 -4.806 1.00 74.51 H new ATOM 0 HB2 ALA A 37 8.122 -3.631 -3.320 1.00 74.51 H new ATOM 0 HB3 ALA A 37 8.058 -1.855 -3.219 1.00 74.51 H new ATOM 624 N ALA A 38 10.210 -0.237 -3.795 1.00 41.51 N ATOM 625 CA ALA A 38 10.650 1.038 -4.350 1.00 22.44 C ATOM 626 C ALA A 38 12.168 1.082 -4.486 1.00 24.03 C ATOM 627 O ALA A 38 12.700 1.680 -5.420 1.00 52.21 O ATOM 628 CB ALA A 38 10.162 2.188 -3.481 1.00 64.22 C ATOM 0 H ALA A 38 9.658 -0.157 -2.941 1.00 41.51 H new ATOM 0 HA ALA A 38 10.219 1.141 -5.346 1.00 22.44 H new ATOM 0 HB1 ALA A 38 10.498 3.134 -3.907 1.00 64.22 H new ATOM 0 HB2 ALA A 38 9.073 2.175 -3.439 1.00 64.22 H new ATOM 0 HB3 ALA A 38 10.566 2.080 -2.474 1.00 64.22 H new ATOM 634 N ASN A 39 12.861 0.445 -3.547 1.00 10.32 N ATOM 635 CA ASN A 39 14.319 0.414 -3.562 1.00 30.41 C ATOM 636 C ASN A 39 14.833 -0.406 -4.742 1.00 1.15 C ATOM 637 O ASN A 39 15.913 -0.143 -5.271 1.00 40.12 O ATOM 638 CB ASN A 39 14.851 -0.169 -2.251 1.00 73.50 C ATOM 639 CG ASN A 39 16.365 -0.253 -2.227 1.00 53.43 C ATOM 640 OD1 ASN A 39 17.043 0.689 -1.817 1.00 12.34 O ATOM 641 ND2 ASN A 39 16.902 -1.384 -2.669 1.00 50.33 N ATOM 0 H ASN A 39 12.436 -0.056 -2.767 1.00 10.32 H new ATOM 0 HA ASN A 39 14.679 1.437 -3.669 1.00 30.41 H new ATOM 0 HB2 ASN A 39 14.511 0.447 -1.418 1.00 73.50 H new ATOM 0 HB3 ASN A 39 14.432 -1.164 -2.103 1.00 73.50 H new ATOM 0 HD21 ASN A 39 17.916 -1.498 -2.678 1.00 50.33 H new ATOM 0 HD22 ASN A 39 16.301 -2.139 -3.000 1.00 50.33 H new ATOM 648 N LYS A 40 14.052 -1.401 -5.149 1.00 50.50 N ATOM 649 CA LYS A 40 14.426 -2.259 -6.267 1.00 55.42 C ATOM 650 C LYS A 40 14.318 -1.506 -7.590 1.00 24.32 C ATOM 651 O LYS A 40 15.181 -1.634 -8.460 1.00 74.11 O ATOM 652 CB LYS A 40 13.535 -3.502 -6.302 1.00 74.41 C ATOM 653 CG LYS A 40 13.918 -4.554 -5.275 1.00 53.03 C ATOM 654 CD LYS A 40 14.730 -5.675 -5.902 1.00 3.14 C ATOM 655 CE LYS A 40 15.688 -6.297 -4.897 1.00 70.42 C ATOM 656 NZ LYS A 40 16.667 -7.207 -5.554 1.00 51.05 N ATOM 0 H LYS A 40 13.156 -1.633 -4.721 1.00 50.50 H new ATOM 0 HA LYS A 40 15.462 -2.566 -6.127 1.00 55.42 H new ATOM 0 HB2 LYS A 40 12.501 -3.202 -6.134 1.00 74.41 H new ATOM 0 HB3 LYS A 40 13.581 -3.944 -7.297 1.00 74.41 H new ATOM 0 HG2 LYS A 40 14.494 -4.090 -4.475 1.00 53.03 H new ATOM 0 HG3 LYS A 40 13.017 -4.966 -4.821 1.00 53.03 H new ATOM 0 HD2 LYS A 40 14.058 -6.441 -6.288 1.00 3.14 H new ATOM 0 HD3 LYS A 40 15.293 -5.287 -6.751 1.00 3.14 H new ATOM 0 HE2 LYS A 40 16.223 -5.508 -4.369 1.00 70.42 H new ATOM 0 HE3 LYS A 40 15.121 -6.852 -4.150 1.00 70.42 H new ATOM 0 HZ1 LYS A 40 17.302 -7.611 -4.836 1.00 51.05 H new ATOM 0 HZ2 LYS A 40 16.158 -7.975 -6.037 1.00 51.05 H new ATOM 0 HZ3 LYS A 40 17.226 -6.672 -6.249 1.00 51.05 H new ATOM 670 N LEU A 41 13.257 -0.721 -7.734 1.00 74.11 N ATOM 671 CA LEU A 41 13.038 0.054 -8.951 1.00 33.34 C ATOM 672 C LEU A 41 14.196 1.014 -9.201 1.00 22.05 C ATOM 673 O LEU A 41 14.779 1.030 -10.285 1.00 4.04 O ATOM 674 CB LEU A 41 11.726 0.834 -8.853 1.00 34.13 C ATOM 675 CG LEU A 41 10.446 -0.004 -8.835 1.00 4.42 C ATOM 676 CD1 LEU A 41 9.245 0.864 -8.494 1.00 0.25 C ATOM 677 CD2 LEU A 41 10.243 -0.696 -10.175 1.00 3.23 C ATOM 0 H LEU A 41 12.534 -0.604 -7.024 1.00 74.11 H new ATOM 0 HA LEU A 41 12.979 -0.641 -9.789 1.00 33.34 H new ATOM 0 HB2 LEU A 41 11.753 1.439 -7.947 1.00 34.13 H new ATOM 0 HB3 LEU A 41 11.673 1.524 -9.695 1.00 34.13 H new ATOM 0 HG LEU A 41 10.546 -0.769 -8.065 1.00 4.42 H new ATOM 0 HD11 LEU A 41 8.344 0.251 -8.486 1.00 0.25 H new ATOM 0 HD12 LEU A 41 9.388 1.313 -7.511 1.00 0.25 H new ATOM 0 HD13 LEU A 41 9.141 1.651 -9.241 1.00 0.25 H new ATOM 0 HD21 LEU A 41 9.328 -1.288 -10.144 1.00 3.23 H new ATOM 0 HD22 LEU A 41 10.164 0.053 -10.963 1.00 3.23 H new ATOM 0 HD23 LEU A 41 11.091 -1.350 -10.379 1.00 3.23 H new ATOM 689 N ASP A 42 14.525 1.811 -8.190 1.00 43.22 N ATOM 690 CA ASP A 42 15.617 2.772 -8.299 1.00 14.42 C ATOM 691 C ASP A 42 16.892 2.094 -8.790 1.00 34.33 C ATOM 692 O ASP A 42 17.553 2.582 -9.706 1.00 60.11 O ATOM 693 CB ASP A 42 15.869 3.444 -6.948 1.00 42.33 C ATOM 694 CG ASP A 42 15.662 4.945 -7.001 1.00 5.23 C ATOM 695 OD1 ASP A 42 14.549 5.379 -7.365 1.00 63.13 O ATOM 696 OD2 ASP A 42 16.614 5.686 -6.676 1.00 55.33 O ATOM 0 H ASP A 42 14.052 1.811 -7.286 1.00 43.22 H new ATOM 0 HA ASP A 42 15.329 3.531 -9.026 1.00 14.42 H new ATOM 0 HB2 ASP A 42 15.201 3.014 -6.201 1.00 42.33 H new ATOM 0 HB3 ASP A 42 16.888 3.232 -6.624 1.00 42.33 H new ATOM 701 N ARG A 43 17.231 0.966 -8.173 1.00 11.41 N ATOM 702 CA ARG A 43 18.428 0.222 -8.545 1.00 51.25 C ATOM 703 C ARG A 43 18.308 -0.326 -9.964 1.00 54.15 C ATOM 704 O ARG A 43 19.167 -0.080 -10.811 1.00 62.21 O ATOM 705 CB ARG A 43 18.667 -0.925 -7.563 1.00 23.53 C ATOM 706 CG ARG A 43 20.055 -0.917 -6.942 1.00 52.34 C ATOM 707 CD ARG A 43 20.030 -0.355 -5.529 1.00 51.15 C ATOM 708 NE ARG A 43 20.224 1.092 -5.512 1.00 42.45 N ATOM 709 CZ ARG A 43 20.453 1.790 -4.406 1.00 10.24 C ATOM 710 NH1 ARG A 43 20.516 1.176 -3.232 1.00 41.41 N ATOM 711 NH2 ARG A 43 20.620 3.105 -4.471 1.00 54.02 N ATOM 0 H ARG A 43 16.693 0.548 -7.414 1.00 11.41 H new ATOM 0 HA ARG A 43 19.276 0.905 -8.508 1.00 51.25 H new ATOM 0 HB2 ARG A 43 17.923 -0.873 -6.769 1.00 23.53 H new ATOM 0 HB3 ARG A 43 18.515 -1.872 -8.080 1.00 23.53 H new ATOM 0 HG2 ARG A 43 20.453 -1.932 -6.924 1.00 52.34 H new ATOM 0 HG3 ARG A 43 20.728 -0.322 -7.560 1.00 52.34 H new ATOM 0 HD2 ARG A 43 19.077 -0.599 -5.059 1.00 51.15 H new ATOM 0 HD3 ARG A 43 20.810 -0.832 -4.935 1.00 51.15 H new ATOM 0 HE ARG A 43 20.181 1.594 -6.399 1.00 42.45 H new ATOM 0 HH11 ARG A 43 20.388 0.165 -3.177 1.00 41.41 H new ATOM 0 HH12 ARG A 43 20.692 1.714 -2.384 1.00 41.41 H new ATOM 0 HH21 ARG A 43 20.572 3.581 -5.372 1.00 54.02 H new ATOM 0 HH22 ARG A 43 20.796 3.639 -3.620 1.00 54.02 H new ATOM 725 N PHE A 44 17.236 -1.070 -10.217 1.00 11.10 N ATOM 726 CA PHE A 44 17.004 -1.654 -11.533 1.00 34.33 C ATOM 727 C PHE A 44 17.114 -0.595 -12.625 1.00 72.04 C ATOM 728 O PHE A 44 17.765 -0.807 -13.648 1.00 35.33 O ATOM 729 CB PHE A 44 15.625 -2.315 -11.584 1.00 75.14 C ATOM 730 CG PHE A 44 15.597 -3.693 -10.987 1.00 1.22 C ATOM 731 CD1 PHE A 44 16.505 -4.657 -11.394 1.00 21.01 C ATOM 732 CD2 PHE A 44 14.664 -4.023 -10.018 1.00 32.54 C ATOM 733 CE1 PHE A 44 16.481 -5.926 -10.846 1.00 44.31 C ATOM 734 CE2 PHE A 44 14.636 -5.291 -9.466 1.00 14.52 C ATOM 735 CZ PHE A 44 15.546 -6.242 -9.880 1.00 64.50 C ATOM 0 H PHE A 44 16.514 -1.283 -9.528 1.00 11.10 H new ATOM 0 HA PHE A 44 17.769 -2.411 -11.708 1.00 34.33 H new ATOM 0 HB2 PHE A 44 14.909 -1.685 -11.056 1.00 75.14 H new ATOM 0 HB3 PHE A 44 15.296 -2.371 -12.622 1.00 75.14 H new ATOM 0 HD1 PHE A 44 17.240 -4.414 -12.148 1.00 21.01 H new ATOM 0 HD2 PHE A 44 13.950 -3.282 -9.690 1.00 32.54 H new ATOM 0 HE1 PHE A 44 17.193 -6.670 -11.173 1.00 44.31 H new ATOM 0 HE2 PHE A 44 13.903 -5.536 -8.712 1.00 14.52 H new ATOM 0 HZ PHE A 44 15.527 -7.232 -9.449 1.00 64.50 H new ATOM 745 N GLY A 45 16.471 0.547 -12.401 1.00 44.41 N ATOM 746 CA GLY A 45 16.509 1.623 -13.375 1.00 34.13 C ATOM 747 C GLY A 45 15.191 2.367 -13.467 1.00 62.02 C ATOM 748 O GLY A 45 15.105 3.415 -14.109 1.00 21.11 O ATOM 0 H GLY A 45 15.925 0.746 -11.563 1.00 44.41 H new ATOM 0 HA2 GLY A 45 17.300 2.323 -13.108 1.00 34.13 H new ATOM 0 HA3 GLY A 45 16.762 1.215 -14.354 1.00 34.13 H new ATOM 752 N LEU A 46 14.161 1.825 -12.827 1.00 24.03 N ATOM 753 CA LEU A 46 12.840 2.444 -12.841 1.00 23.44 C ATOM 754 C LEU A 46 12.728 3.511 -11.757 1.00 54.41 C ATOM 755 O LEU A 46 13.504 3.525 -10.802 1.00 51.24 O ATOM 756 CB LEU A 46 11.756 1.383 -12.642 1.00 25.43 C ATOM 757 CG LEU A 46 11.293 0.652 -13.902 1.00 51.25 C ATOM 758 CD1 LEU A 46 11.266 -0.850 -13.669 1.00 62.44 C ATOM 759 CD2 LEU A 46 9.922 1.151 -14.334 1.00 53.22 C ATOM 0 H LEU A 46 14.215 0.958 -12.292 1.00 24.03 H new ATOM 0 HA LEU A 46 12.699 2.921 -13.811 1.00 23.44 H new ATOM 0 HB2 LEU A 46 12.126 0.643 -11.932 1.00 25.43 H new ATOM 0 HB3 LEU A 46 10.889 1.859 -12.183 1.00 25.43 H new ATOM 0 HG LEU A 46 12.003 0.862 -14.702 1.00 51.25 H new ATOM 0 HD11 LEU A 46 10.934 -1.353 -14.577 1.00 62.44 H new ATOM 0 HD12 LEU A 46 12.266 -1.196 -13.408 1.00 62.44 H new ATOM 0 HD13 LEU A 46 10.579 -1.080 -12.855 1.00 62.44 H new ATOM 0 HD21 LEU A 46 9.608 0.620 -15.232 1.00 53.22 H new ATOM 0 HD22 LEU A 46 9.201 0.972 -13.536 1.00 53.22 H new ATOM 0 HD23 LEU A 46 9.973 2.219 -14.543 1.00 53.22 H new ATOM 771 N ALA A 47 11.754 4.403 -11.911 1.00 44.13 N ATOM 772 CA ALA A 47 11.537 5.472 -10.944 1.00 62.22 C ATOM 773 C ALA A 47 10.708 4.982 -9.762 1.00 55.31 C ATOM 774 O ALA A 47 10.179 3.871 -9.781 1.00 41.25 O ATOM 775 CB ALA A 47 10.859 6.658 -11.612 1.00 54.44 C ATOM 0 H ALA A 47 11.103 4.406 -12.696 1.00 44.13 H new ATOM 0 HA ALA A 47 12.509 5.790 -10.566 1.00 62.22 H new ATOM 0 HB1 ALA A 47 10.703 7.449 -10.878 1.00 54.44 H new ATOM 0 HB2 ALA A 47 11.490 7.031 -12.419 1.00 54.44 H new ATOM 0 HB3 ALA A 47 9.897 6.346 -12.019 1.00 54.44 H new ATOM 781 N GLU A 48 10.598 5.819 -8.735 1.00 25.34 N ATOM 782 CA GLU A 48 9.834 5.469 -7.543 1.00 71.33 C ATOM 783 C GLU A 48 8.441 6.090 -7.589 1.00 11.01 C ATOM 784 O GLU A 48 7.474 5.509 -7.097 1.00 32.31 O ATOM 785 CB GLU A 48 10.570 5.931 -6.284 1.00 14.01 C ATOM 786 CG GLU A 48 10.845 7.425 -6.254 1.00 24.10 C ATOM 787 CD GLU A 48 12.313 7.743 -6.047 1.00 5.11 C ATOM 788 OE1 GLU A 48 13.110 7.507 -6.979 1.00 74.13 O ATOM 789 OE2 GLU A 48 12.666 8.229 -4.952 1.00 13.04 O ATOM 0 H GLU A 48 11.028 6.743 -8.704 1.00 25.34 H new ATOM 0 HA GLU A 48 9.729 4.384 -7.515 1.00 71.33 H new ATOM 0 HB2 GLU A 48 9.980 5.661 -5.408 1.00 14.01 H new ATOM 0 HB3 GLU A 48 11.516 5.394 -6.209 1.00 14.01 H new ATOM 0 HG2 GLU A 48 10.509 7.872 -7.190 1.00 24.10 H new ATOM 0 HG3 GLU A 48 10.262 7.882 -5.455 1.00 24.10 H new ATOM 796 N SER A 49 8.347 7.276 -8.183 1.00 23.44 N ATOM 797 CA SER A 49 7.074 7.979 -8.289 1.00 63.20 C ATOM 798 C SER A 49 6.080 7.179 -9.126 1.00 1.15 C ATOM 799 O SER A 49 4.871 7.406 -9.060 1.00 3.30 O ATOM 800 CB SER A 49 7.282 9.362 -8.908 1.00 0.40 C ATOM 801 OG SER A 49 8.428 9.382 -9.741 1.00 62.51 O ATOM 0 H SER A 49 9.137 7.770 -8.598 1.00 23.44 H new ATOM 0 HA SER A 49 6.666 8.095 -7.285 1.00 63.20 H new ATOM 0 HB2 SER A 49 6.402 9.640 -9.488 1.00 0.40 H new ATOM 0 HB3 SER A 49 7.390 10.105 -8.118 1.00 0.40 H new ATOM 0 HG SER A 49 8.537 10.277 -10.126 1.00 62.51 H new ATOM 807 N LEU A 50 6.598 6.242 -9.912 1.00 33.22 N ATOM 808 CA LEU A 50 5.757 5.407 -10.762 1.00 71.35 C ATOM 809 C LEU A 50 4.850 4.513 -9.923 1.00 23.44 C ATOM 810 O LEU A 50 3.887 3.936 -10.429 1.00 61.32 O ATOM 811 CB LEU A 50 6.624 4.549 -11.686 1.00 51.21 C ATOM 812 CG LEU A 50 7.506 5.310 -12.676 1.00 5.51 C ATOM 813 CD1 LEU A 50 8.324 4.342 -13.517 1.00 34.12 C ATOM 814 CD2 LEU A 50 6.659 6.208 -13.566 1.00 34.15 C ATOM 0 H LEU A 50 7.596 6.041 -9.978 1.00 33.22 H new ATOM 0 HA LEU A 50 5.131 6.063 -11.366 1.00 71.35 H new ATOM 0 HB2 LEU A 50 7.265 3.919 -11.069 1.00 51.21 H new ATOM 0 HB3 LEU A 50 5.971 3.883 -12.250 1.00 51.21 H new ATOM 0 HG LEU A 50 8.194 5.938 -12.110 1.00 5.51 H new ATOM 0 HD11 LEU A 50 8.945 4.902 -14.216 1.00 34.12 H new ATOM 0 HD12 LEU A 50 8.960 3.742 -12.866 1.00 34.12 H new ATOM 0 HD13 LEU A 50 7.653 3.687 -14.073 1.00 34.12 H new ATOM 0 HD21 LEU A 50 7.304 6.741 -14.264 1.00 34.15 H new ATOM 0 HD22 LEU A 50 5.946 5.600 -14.123 1.00 34.15 H new ATOM 0 HD23 LEU A 50 6.119 6.927 -12.949 1.00 34.15 H new ATOM 826 N LEU A 51 5.163 4.404 -8.636 1.00 61.31 N ATOM 827 CA LEU A 51 4.375 3.582 -7.724 1.00 64.41 C ATOM 828 C LEU A 51 3.193 4.367 -7.166 1.00 51.33 C ATOM 829 O LEU A 51 2.301 3.800 -6.536 1.00 51.15 O ATOM 830 CB LEU A 51 5.252 3.074 -6.578 1.00 14.15 C ATOM 831 CG LEU A 51 5.953 1.736 -6.811 1.00 25.21 C ATOM 832 CD1 LEU A 51 7.041 1.515 -5.771 1.00 0.10 C ATOM 833 CD2 LEU A 51 4.948 0.594 -6.784 1.00 14.30 C ATOM 0 H LEU A 51 5.957 4.874 -8.201 1.00 61.31 H new ATOM 0 HA LEU A 51 3.989 2.730 -8.283 1.00 64.41 H new ATOM 0 HB2 LEU A 51 6.011 3.827 -6.367 1.00 14.15 H new ATOM 0 HB3 LEU A 51 4.633 2.986 -5.685 1.00 14.15 H new ATOM 0 HG LEU A 51 6.419 1.760 -7.796 1.00 25.21 H new ATOM 0 HD11 LEU A 51 7.529 0.557 -5.953 1.00 0.10 H new ATOM 0 HD12 LEU A 51 7.777 2.316 -5.839 1.00 0.10 H new ATOM 0 HD13 LEU A 51 6.598 1.513 -4.775 1.00 0.10 H new ATOM 0 HD21 LEU A 51 5.466 -0.350 -6.952 1.00 14.30 H new ATOM 0 HD22 LEU A 51 4.452 0.569 -5.814 1.00 14.30 H new ATOM 0 HD23 LEU A 51 4.205 0.745 -7.567 1.00 14.30 H new ATOM 845 N GLU A 52 3.193 5.675 -7.404 1.00 52.23 N ATOM 846 CA GLU A 52 2.119 6.538 -6.926 1.00 73.23 C ATOM 847 C GLU A 52 0.935 6.516 -7.889 1.00 15.34 C ATOM 848 O GLU A 52 -0.221 6.465 -7.467 1.00 62.20 O ATOM 849 CB GLU A 52 2.624 7.972 -6.755 1.00 22.25 C ATOM 850 CG GLU A 52 3.905 8.072 -5.943 1.00 40.43 C ATOM 851 CD GLU A 52 4.209 9.493 -5.507 1.00 62.52 C ATOM 852 OE1 GLU A 52 3.363 10.095 -4.814 1.00 43.00 O ATOM 853 OE2 GLU A 52 5.294 10.001 -5.859 1.00 43.03 O ATOM 0 H GLU A 52 3.924 6.160 -7.924 1.00 52.23 H new ATOM 0 HA GLU A 52 1.787 6.160 -5.959 1.00 73.23 H new ATOM 0 HB2 GLU A 52 2.792 8.409 -7.739 1.00 22.25 H new ATOM 0 HB3 GLU A 52 1.849 8.566 -6.271 1.00 22.25 H new ATOM 0 HG2 GLU A 52 3.823 7.435 -5.062 1.00 40.43 H new ATOM 0 HG3 GLU A 52 4.737 7.692 -6.535 1.00 40.43 H new ATOM 860 N SER A 53 1.231 6.557 -9.184 1.00 22.43 N ATOM 861 CA SER A 53 0.192 6.546 -10.207 1.00 0.24 C ATOM 862 C SER A 53 -0.054 5.130 -10.717 1.00 31.54 C ATOM 863 O SER A 53 0.885 4.394 -11.020 1.00 44.14 O ATOM 864 CB SER A 53 0.583 7.459 -11.371 1.00 24.35 C ATOM 865 OG SER A 53 1.079 6.706 -12.464 1.00 42.11 O ATOM 0 H SER A 53 2.182 6.598 -9.550 1.00 22.43 H new ATOM 0 HA SER A 53 -0.729 6.916 -9.758 1.00 0.24 H new ATOM 0 HB2 SER A 53 -0.283 8.040 -11.688 1.00 24.35 H new ATOM 0 HB3 SER A 53 1.341 8.170 -11.041 1.00 24.35 H new ATOM 0 HG SER A 53 0.471 6.798 -13.227 1.00 42.11 H new ATOM 871 N LYS A 54 -1.325 4.753 -10.808 1.00 60.01 N ATOM 872 CA LYS A 54 -1.698 3.426 -11.282 1.00 61.52 C ATOM 873 C LYS A 54 -1.239 3.213 -12.721 1.00 65.40 C ATOM 874 O LYS A 54 -0.890 2.099 -13.112 1.00 2.21 O ATOM 875 CB LYS A 54 -3.213 3.234 -11.186 1.00 12.12 C ATOM 876 CG LYS A 54 -3.992 4.007 -12.236 1.00 61.45 C ATOM 877 CD LYS A 54 -5.489 3.792 -12.091 1.00 31.20 C ATOM 878 CE LYS A 54 -6.027 2.865 -13.170 1.00 64.42 C ATOM 879 NZ LYS A 54 -6.571 3.622 -14.331 1.00 62.33 N ATOM 0 H LYS A 54 -2.115 5.349 -10.559 1.00 60.01 H new ATOM 0 HA LYS A 54 -1.204 2.690 -10.648 1.00 61.52 H new ATOM 0 HB2 LYS A 54 -3.443 2.173 -11.283 1.00 12.12 H new ATOM 0 HB3 LYS A 54 -3.548 3.544 -10.196 1.00 12.12 H new ATOM 0 HG2 LYS A 54 -3.766 5.070 -12.149 1.00 61.45 H new ATOM 0 HG3 LYS A 54 -3.673 3.694 -13.230 1.00 61.45 H new ATOM 0 HD2 LYS A 54 -5.704 3.371 -11.109 1.00 31.20 H new ATOM 0 HD3 LYS A 54 -6.002 4.752 -12.146 1.00 31.20 H new ATOM 0 HE2 LYS A 54 -5.231 2.202 -13.509 1.00 64.42 H new ATOM 0 HE3 LYS A 54 -6.810 2.234 -12.749 1.00 64.42 H new ATOM 0 HZ1 LYS A 54 -6.928 2.954 -15.044 1.00 62.33 H new ATOM 0 HZ2 LYS A 54 -7.348 4.236 -14.012 1.00 62.33 H new ATOM 0 HZ3 LYS A 54 -5.818 4.205 -14.749 1.00 62.33 H new ATOM 893 N GLU A 55 -1.240 4.288 -13.503 1.00 61.42 N ATOM 894 CA GLU A 55 -0.822 4.217 -14.898 1.00 73.35 C ATOM 895 C GLU A 55 0.640 3.794 -15.008 1.00 11.20 C ATOM 896 O GLU A 55 0.997 2.965 -15.843 1.00 71.34 O ATOM 897 CB GLU A 55 -1.026 5.569 -15.584 1.00 55.24 C ATOM 898 CG GLU A 55 -1.760 5.474 -16.912 1.00 32.05 C ATOM 899 CD GLU A 55 -1.034 6.193 -18.032 1.00 73.43 C ATOM 900 OE1 GLU A 55 0.200 6.036 -18.137 1.00 1.34 O ATOM 901 OE2 GLU A 55 -1.702 6.911 -18.805 1.00 42.35 O ATOM 0 H GLU A 55 -1.525 5.217 -13.194 1.00 61.42 H new ATOM 0 HA GLU A 55 -1.437 3.468 -15.397 1.00 73.35 H new ATOM 0 HB2 GLU A 55 -1.584 6.225 -14.916 1.00 55.24 H new ATOM 0 HB3 GLU A 55 -0.054 6.034 -15.748 1.00 55.24 H new ATOM 0 HG2 GLU A 55 -1.885 4.425 -17.180 1.00 32.05 H new ATOM 0 HG3 GLU A 55 -2.759 5.896 -16.802 1.00 32.05 H new ATOM 908 N GLY A 56 1.482 4.372 -14.157 1.00 44.41 N ATOM 909 CA GLY A 56 2.896 4.044 -14.175 1.00 10.45 C ATOM 910 C GLY A 56 3.162 2.603 -13.787 1.00 55.15 C ATOM 911 O GLY A 56 4.073 1.968 -14.319 1.00 43.43 O ATOM 0 H GLY A 56 1.211 5.061 -13.456 1.00 44.41 H new ATOM 0 HA2 GLY A 56 3.296 4.228 -15.172 1.00 10.45 H new ATOM 0 HA3 GLY A 56 3.428 4.705 -13.491 1.00 10.45 H new ATOM 915 N CYS A 57 2.366 2.086 -12.859 1.00 34.45 N ATOM 916 CA CYS A 57 2.521 0.710 -12.398 1.00 52.15 C ATOM 917 C CYS A 57 2.258 -0.275 -13.532 1.00 72.44 C ATOM 918 O CYS A 57 2.802 -1.379 -13.546 1.00 43.15 O ATOM 919 CB CYS A 57 1.571 0.430 -11.233 1.00 5.03 C ATOM 920 SG CYS A 57 2.403 0.187 -9.646 1.00 11.14 S ATOM 0 H CYS A 57 1.606 2.598 -12.410 1.00 34.45 H new ATOM 0 HA CYS A 57 3.548 0.580 -12.058 1.00 52.15 H new ATOM 0 HB2 CYS A 57 0.871 1.260 -11.141 1.00 5.03 H new ATOM 0 HB3 CYS A 57 0.983 -0.459 -11.463 1.00 5.03 H new ATOM 0 HG CYS A 57 1.521 0.170 -8.692 1.00 11.14 H new ATOM 926 N GLN A 58 1.419 0.131 -14.480 1.00 32.22 N ATOM 927 CA GLN A 58 1.082 -0.718 -15.616 1.00 71.15 C ATOM 928 C GLN A 58 2.290 -0.915 -16.526 1.00 3.11 C ATOM 929 O GLN A 58 2.439 -1.959 -17.162 1.00 11.41 O ATOM 930 CB GLN A 58 -0.075 -0.108 -16.410 1.00 63.33 C ATOM 931 CG GLN A 58 -0.938 -1.140 -17.117 1.00 72.43 C ATOM 932 CD GLN A 58 -2.177 -0.533 -17.745 1.00 74.31 C ATOM 933 OE1 GLN A 58 -2.581 0.578 -17.401 1.00 30.14 O ATOM 934 NE2 GLN A 58 -2.789 -1.261 -18.672 1.00 42.04 N ATOM 0 H GLN A 58 0.961 1.042 -14.484 1.00 32.22 H new ATOM 0 HA GLN A 58 0.777 -1.691 -15.232 1.00 71.15 H new ATOM 0 HB2 GLN A 58 -0.701 0.475 -15.734 1.00 63.33 H new ATOM 0 HB3 GLN A 58 0.328 0.584 -17.149 1.00 63.33 H new ATOM 0 HG2 GLN A 58 -0.348 -1.633 -17.890 1.00 72.43 H new ATOM 0 HG3 GLN A 58 -1.236 -1.909 -16.404 1.00 72.43 H new ATOM 0 HE21 GLN A 58 -2.420 -2.177 -18.927 1.00 42.04 H new ATOM 0 HE22 GLN A 58 -3.628 -0.904 -19.129 1.00 42.04 H new ATOM 943 N LYS A 59 3.152 0.095 -16.583 1.00 71.14 N ATOM 944 CA LYS A 59 4.349 0.034 -17.414 1.00 73.21 C ATOM 945 C LYS A 59 5.426 -0.821 -16.754 1.00 72.55 C ATOM 946 O LYS A 59 6.385 -1.238 -17.405 1.00 0.04 O ATOM 947 CB LYS A 59 4.888 1.443 -17.672 1.00 20.41 C ATOM 948 CG LYS A 59 5.162 1.730 -19.138 1.00 12.20 C ATOM 949 CD LYS A 59 5.402 3.211 -19.380 1.00 63.24 C ATOM 950 CE LYS A 59 6.570 3.438 -20.328 1.00 40.11 C ATOM 951 NZ LYS A 59 7.213 4.763 -20.108 1.00 23.11 N ATOM 0 H LYS A 59 3.044 0.966 -16.063 1.00 71.14 H new ATOM 0 HA LYS A 59 4.078 -0.424 -18.365 1.00 73.21 H new ATOM 0 HB2 LYS A 59 4.170 2.172 -17.296 1.00 20.41 H new ATOM 0 HB3 LYS A 59 5.809 1.580 -17.105 1.00 20.41 H new ATOM 0 HG2 LYS A 59 6.032 1.161 -19.465 1.00 12.20 H new ATOM 0 HG3 LYS A 59 4.317 1.394 -19.740 1.00 12.20 H new ATOM 0 HD2 LYS A 59 4.502 3.664 -19.795 1.00 63.24 H new ATOM 0 HD3 LYS A 59 5.600 3.709 -18.431 1.00 63.24 H new ATOM 0 HE2 LYS A 59 7.309 2.648 -20.190 1.00 40.11 H new ATOM 0 HE3 LYS A 59 6.220 3.371 -21.358 1.00 40.11 H new ATOM 0 HZ1 LYS A 59 8.004 4.880 -20.773 1.00 23.11 H new ATOM 0 HZ2 LYS A 59 6.515 5.518 -20.264 1.00 23.11 H new ATOM 0 HZ3 LYS A 59 7.570 4.818 -19.133 1.00 23.11 H new ATOM 965 N ILE A 60 5.260 -1.080 -15.462 1.00 30.41 N ATOM 966 CA ILE A 60 6.217 -1.888 -14.716 1.00 60.32 C ATOM 967 C ILE A 60 5.843 -3.366 -14.762 1.00 13.20 C ATOM 968 O ILE A 60 6.690 -4.225 -15.012 1.00 15.25 O ATOM 969 CB ILE A 60 6.309 -1.439 -13.246 1.00 55.30 C ATOM 970 CG1 ILE A 60 6.564 0.068 -13.166 1.00 33.24 C ATOM 971 CG2 ILE A 60 7.406 -2.207 -12.525 1.00 0.33 C ATOM 972 CD1 ILE A 60 6.515 0.614 -11.756 1.00 53.50 C ATOM 0 H ILE A 60 4.472 -0.742 -14.910 1.00 30.41 H new ATOM 0 HA ILE A 60 7.187 -1.746 -15.192 1.00 60.32 H new ATOM 0 HB ILE A 60 5.360 -1.655 -12.755 1.00 55.30 H new ATOM 0 HG12 ILE A 60 7.540 0.287 -13.598 1.00 33.24 H new ATOM 0 HG13 ILE A 60 5.823 0.587 -13.774 1.00 33.24 H new ATOM 0 HG21 ILE A 60 7.458 -1.878 -11.487 1.00 0.33 H new ATOM 0 HG22 ILE A 60 7.185 -3.274 -12.557 1.00 0.33 H new ATOM 0 HG23 ILE A 60 8.362 -2.020 -13.014 1.00 0.33 H new ATOM 0 HD11 ILE A 60 6.704 1.687 -11.775 1.00 53.50 H new ATOM 0 HD12 ILE A 60 5.531 0.427 -11.327 1.00 53.50 H new ATOM 0 HD13 ILE A 60 7.275 0.122 -11.149 1.00 53.50 H new ATOM 984 N LEU A 61 4.569 -3.655 -14.521 1.00 73.22 N ATOM 985 CA LEU A 61 4.080 -5.030 -14.537 1.00 3.23 C ATOM 986 C LEU A 61 4.224 -5.643 -15.926 1.00 54.00 C ATOM 987 O LEU A 61 4.344 -6.860 -16.071 1.00 24.05 O ATOM 988 CB LEU A 61 2.617 -5.077 -14.095 1.00 13.25 C ATOM 989 CG LEU A 61 2.356 -4.821 -12.610 1.00 15.42 C ATOM 990 CD1 LEU A 61 0.862 -4.831 -12.321 1.00 5.40 C ATOM 991 CD2 LEU A 61 3.073 -5.856 -11.756 1.00 11.23 C ATOM 0 H LEU A 61 3.856 -2.956 -14.312 1.00 73.22 H new ATOM 0 HA LEU A 61 4.682 -5.612 -13.839 1.00 3.23 H new ATOM 0 HB2 LEU A 61 2.060 -4.340 -14.674 1.00 13.25 H new ATOM 0 HB3 LEU A 61 2.212 -6.056 -14.351 1.00 13.25 H new ATOM 0 HG LEU A 61 2.748 -3.836 -12.357 1.00 15.42 H new ATOM 0 HD11 LEU A 61 0.695 -4.647 -11.260 1.00 5.40 H new ATOM 0 HD12 LEU A 61 0.373 -4.051 -12.905 1.00 5.40 H new ATOM 0 HD13 LEU A 61 0.446 -5.802 -12.591 1.00 5.40 H new ATOM 0 HD21 LEU A 61 2.876 -5.658 -10.702 1.00 11.23 H new ATOM 0 HD22 LEU A 61 2.712 -6.852 -12.012 1.00 11.23 H new ATOM 0 HD23 LEU A 61 4.146 -5.800 -11.941 1.00 11.23 H new ATOM 1003 N THR A 62 4.211 -4.792 -16.947 1.00 44.22 N ATOM 1004 CA THR A 62 4.341 -5.249 -18.325 1.00 30.01 C ATOM 1005 C THR A 62 5.742 -5.785 -18.597 1.00 32.32 C ATOM 1006 O THR A 62 5.929 -6.659 -19.444 1.00 5.13 O ATOM 1007 CB THR A 62 4.034 -4.117 -19.324 1.00 21.23 C ATOM 1008 OG1 THR A 62 3.763 -4.666 -20.618 1.00 62.32 O ATOM 1009 CG2 THR A 62 5.200 -3.144 -19.414 1.00 31.22 C ATOM 0 H THR A 62 4.112 -3.782 -16.845 1.00 44.22 H new ATOM 0 HA THR A 62 3.615 -6.051 -18.461 1.00 30.01 H new ATOM 0 HB THR A 62 3.157 -3.576 -18.969 1.00 21.23 H new ATOM 0 HG1 THR A 62 3.567 -3.940 -21.247 1.00 62.32 H new ATOM 0 HG21 THR A 62 4.960 -2.354 -20.125 1.00 31.22 H new ATOM 0 HG22 THR A 62 5.385 -2.706 -18.433 1.00 31.22 H new ATOM 0 HG23 THR A 62 6.092 -3.675 -19.748 1.00 31.22 H new ATOM 1017 N VAL A 63 6.724 -5.257 -17.873 1.00 35.22 N ATOM 1018 CA VAL A 63 8.108 -5.685 -18.035 1.00 0.42 C ATOM 1019 C VAL A 63 8.429 -6.864 -17.124 1.00 63.21 C ATOM 1020 O VAL A 63 9.133 -7.794 -17.519 1.00 65.35 O ATOM 1021 CB VAL A 63 9.089 -4.536 -17.734 1.00 11.22 C ATOM 1022 CG1 VAL A 63 10.525 -5.036 -17.771 1.00 51.12 C ATOM 1023 CG2 VAL A 63 8.888 -3.393 -18.717 1.00 50.23 C ATOM 0 H VAL A 63 6.586 -4.532 -17.169 1.00 35.22 H new ATOM 0 HA VAL A 63 8.225 -5.991 -19.075 1.00 0.42 H new ATOM 0 HB VAL A 63 8.886 -4.162 -16.731 1.00 11.22 H new ATOM 0 HG11 VAL A 63 11.203 -4.210 -17.556 1.00 51.12 H new ATOM 0 HG12 VAL A 63 10.657 -5.818 -17.024 1.00 51.12 H new ATOM 0 HG13 VAL A 63 10.745 -5.438 -18.760 1.00 51.12 H new ATOM 0 HG21 VAL A 63 9.589 -2.590 -18.490 1.00 50.23 H new ATOM 0 HG22 VAL A 63 9.063 -3.751 -19.732 1.00 50.23 H new ATOM 0 HG23 VAL A 63 7.868 -3.018 -18.635 1.00 50.23 H new ATOM 1033 N LEU A 64 7.908 -6.820 -15.903 1.00 25.51 N ATOM 1034 CA LEU A 64 8.139 -7.887 -14.934 1.00 51.42 C ATOM 1035 C LEU A 64 7.291 -9.112 -15.261 1.00 1.22 C ATOM 1036 O LEU A 64 7.614 -10.229 -14.855 1.00 51.53 O ATOM 1037 CB LEU A 64 7.822 -7.395 -13.521 1.00 23.45 C ATOM 1038 CG LEU A 64 8.760 -6.328 -12.955 1.00 51.12 C ATOM 1039 CD1 LEU A 64 8.215 -5.779 -11.646 1.00 5.42 C ATOM 1040 CD2 LEU A 64 10.158 -6.896 -12.757 1.00 75.33 C ATOM 0 H LEU A 64 7.323 -6.058 -15.560 1.00 25.51 H new ATOM 0 HA LEU A 64 9.190 -8.172 -14.986 1.00 51.42 H new ATOM 0 HB2 LEU A 64 6.807 -6.998 -13.516 1.00 23.45 H new ATOM 0 HB3 LEU A 64 7.832 -8.253 -12.848 1.00 23.45 H new ATOM 0 HG LEU A 64 8.821 -5.509 -13.671 1.00 51.12 H new ATOM 0 HD11 LEU A 64 8.895 -5.021 -11.258 1.00 5.42 H new ATOM 0 HD12 LEU A 64 7.235 -5.333 -11.818 1.00 5.42 H new ATOM 0 HD13 LEU A 64 8.123 -6.589 -10.922 1.00 5.42 H new ATOM 0 HD21 LEU A 64 10.811 -6.122 -12.354 1.00 75.33 H new ATOM 0 HD22 LEU A 64 10.115 -7.734 -12.061 1.00 75.33 H new ATOM 0 HD23 LEU A 64 10.550 -7.239 -13.714 1.00 75.33 H new ATOM 1052 N ASP A 65 6.207 -8.895 -15.998 1.00 21.24 N ATOM 1053 CA ASP A 65 5.314 -9.982 -16.382 1.00 62.21 C ATOM 1054 C ASP A 65 6.095 -11.127 -17.020 1.00 20.01 C ATOM 1055 O ASP A 65 6.112 -12.253 -16.521 1.00 45.44 O ATOM 1056 CB ASP A 65 4.246 -9.474 -17.352 1.00 20.42 C ATOM 1057 CG ASP A 65 2.908 -9.253 -16.675 1.00 34.31 C ATOM 1058 OD1 ASP A 65 2.558 -10.048 -15.777 1.00 1.12 O ATOM 1059 OD2 ASP A 65 2.210 -8.285 -17.042 1.00 61.15 O ATOM 0 H ASP A 65 5.926 -7.977 -16.341 1.00 21.24 H new ATOM 0 HA ASP A 65 4.827 -10.356 -15.481 1.00 62.21 H new ATOM 0 HB2 ASP A 65 4.582 -8.539 -17.801 1.00 20.42 H new ATOM 0 HB3 ASP A 65 4.125 -10.192 -18.163 1.00 20.42 H new ATOM 1064 N PRO A 66 6.756 -10.835 -18.150 1.00 22.51 N ATOM 1065 CA PRO A 66 7.551 -11.827 -18.881 1.00 34.43 C ATOM 1066 C PRO A 66 8.815 -12.226 -18.128 1.00 22.02 C ATOM 1067 O PRO A 66 9.491 -13.186 -18.496 1.00 63.01 O ATOM 1068 CB PRO A 66 7.908 -11.106 -20.183 1.00 23.05 C ATOM 1069 CG PRO A 66 7.858 -9.657 -19.839 1.00 24.31 C ATOM 1070 CD PRO A 66 6.780 -9.515 -18.801 1.00 13.21 C ATOM 0 HA PRO A 66 7.004 -12.758 -19.030 1.00 34.43 H new ATOM 0 HB2 PRO A 66 8.898 -11.395 -20.537 1.00 23.05 H new ATOM 0 HB3 PRO A 66 7.202 -11.349 -20.977 1.00 23.05 H new ATOM 0 HG2 PRO A 66 8.818 -9.314 -19.454 1.00 24.31 H new ATOM 0 HG3 PRO A 66 7.634 -9.054 -20.719 1.00 24.31 H new ATOM 0 HD2 PRO A 66 7.009 -8.721 -18.090 1.00 13.21 H new ATOM 0 HD3 PRO A 66 5.818 -9.272 -19.252 1.00 13.21 H new ATOM 1078 N MET A 67 9.129 -11.483 -17.071 1.00 55.14 N ATOM 1079 CA MET A 67 10.312 -11.761 -16.266 1.00 11.02 C ATOM 1080 C MET A 67 10.021 -12.839 -15.226 1.00 51.14 C ATOM 1081 O MET A 67 10.938 -13.459 -14.687 1.00 14.41 O ATOM 1082 CB MET A 67 10.795 -10.485 -15.573 1.00 71.32 C ATOM 1083 CG MET A 67 11.314 -9.430 -16.536 1.00 65.33 C ATOM 1084 SD MET A 67 13.062 -9.644 -16.924 1.00 24.22 S ATOM 1085 CE MET A 67 13.475 -8.013 -17.537 1.00 43.14 C ATOM 0 H MET A 67 8.580 -10.684 -16.753 1.00 55.14 H new ATOM 0 HA MET A 67 11.096 -12.124 -16.931 1.00 11.02 H new ATOM 0 HB2 MET A 67 9.974 -10.063 -14.993 1.00 71.32 H new ATOM 0 HB3 MET A 67 11.585 -10.741 -14.867 1.00 71.32 H new ATOM 0 HG2 MET A 67 10.734 -9.468 -17.458 1.00 65.33 H new ATOM 0 HG3 MET A 67 11.160 -8.441 -16.103 1.00 65.33 H new ATOM 0 HE1 MET A 67 14.528 -7.986 -17.819 1.00 43.14 H new ATOM 0 HE2 MET A 67 12.860 -7.785 -18.408 1.00 43.14 H new ATOM 0 HE3 MET A 67 13.289 -7.274 -16.758 1.00 43.14 H new ATOM 1095 N VAL A 68 8.739 -13.057 -14.950 1.00 22.43 N ATOM 1096 CA VAL A 68 8.328 -14.061 -13.975 1.00 72.04 C ATOM 1097 C VAL A 68 8.672 -15.466 -14.456 1.00 31.55 C ATOM 1098 O VAL A 68 9.408 -16.209 -13.805 1.00 14.11 O ATOM 1099 CB VAL A 68 6.816 -13.983 -13.693 1.00 54.43 C ATOM 1100 CG1 VAL A 68 6.275 -15.347 -13.293 1.00 64.14 C ATOM 1101 CG2 VAL A 68 6.528 -12.949 -12.615 1.00 23.25 C ATOM 0 H VAL A 68 7.968 -12.553 -15.387 1.00 22.43 H new ATOM 0 HA VAL A 68 8.873 -13.851 -13.055 1.00 72.04 H new ATOM 0 HB VAL A 68 6.310 -13.673 -14.607 1.00 54.43 H new ATOM 0 HG11 VAL A 68 5.205 -15.271 -13.098 1.00 64.14 H new ATOM 0 HG12 VAL A 68 6.447 -16.058 -14.101 1.00 64.14 H new ATOM 0 HG13 VAL A 68 6.784 -15.691 -12.393 1.00 64.14 H new ATOM 0 HG21 VAL A 68 5.455 -12.907 -12.428 1.00 23.25 H new ATOM 0 HG22 VAL A 68 7.045 -13.227 -11.697 1.00 23.25 H new ATOM 0 HG23 VAL A 68 6.877 -11.971 -12.946 1.00 23.25 H new ATOM 1111 N PRO A 69 8.128 -15.843 -15.623 1.00 2.34 N ATOM 1112 CA PRO A 69 8.364 -17.162 -16.217 1.00 43.42 C ATOM 1113 C PRO A 69 9.795 -17.323 -16.719 1.00 70.53 C ATOM 1114 O PRO A 69 10.174 -18.384 -17.217 1.00 75.34 O ATOM 1115 CB PRO A 69 7.379 -17.205 -17.388 1.00 13.44 C ATOM 1116 CG PRO A 69 7.149 -15.776 -17.742 1.00 50.00 C ATOM 1117 CD PRO A 69 7.242 -15.009 -16.452 1.00 34.22 C ATOM 0 HA PRO A 69 8.224 -17.966 -15.494 1.00 43.42 H new ATOM 0 HB2 PRO A 69 7.790 -17.760 -18.231 1.00 13.44 H new ATOM 0 HB3 PRO A 69 6.449 -17.697 -17.105 1.00 13.44 H new ATOM 0 HG2 PRO A 69 7.893 -15.427 -18.458 1.00 50.00 H new ATOM 0 HG3 PRO A 69 6.172 -15.641 -18.206 1.00 50.00 H new ATOM 0 HD2 PRO A 69 7.656 -14.013 -16.606 1.00 34.22 H new ATOM 0 HD3 PRO A 69 6.263 -14.880 -15.990 1.00 34.22 H new ATOM 1125 N THR A 70 10.588 -16.265 -16.585 1.00 51.21 N ATOM 1126 CA THR A 70 11.977 -16.289 -17.026 1.00 31.33 C ATOM 1127 C THR A 70 12.841 -15.368 -16.172 1.00 31.31 C ATOM 1128 O THR A 70 13.572 -14.528 -16.693 1.00 42.52 O ATOM 1129 CB THR A 70 12.105 -15.871 -18.503 1.00 22.43 C ATOM 1130 OG1 THR A 70 10.914 -16.221 -19.216 1.00 71.21 O ATOM 1131 CG2 THR A 70 13.307 -16.541 -19.152 1.00 75.43 C ATOM 0 H THR A 70 10.292 -15.380 -16.174 1.00 51.21 H new ATOM 0 HA THR A 70 12.326 -17.316 -16.915 1.00 31.33 H new ATOM 0 HB THR A 70 12.246 -14.791 -18.542 1.00 22.43 H new ATOM 0 HG1 THR A 70 11.003 -15.951 -20.154 1.00 71.21 H new ATOM 0 HG21 THR A 70 13.377 -16.231 -20.195 1.00 75.43 H new ATOM 0 HG22 THR A 70 14.215 -16.249 -18.625 1.00 75.43 H new ATOM 0 HG23 THR A 70 13.191 -17.624 -19.102 1.00 75.43 H new ATOM 1139 N GLY A 71 12.752 -15.533 -14.855 1.00 62.24 N ATOM 1140 CA GLY A 71 13.532 -14.709 -13.950 1.00 61.54 C ATOM 1141 C GLY A 71 13.739 -15.367 -12.600 1.00 52.04 C ATOM 1142 O GLY A 71 13.234 -16.462 -12.352 1.00 11.23 O ATOM 0 H GLY A 71 12.154 -16.222 -14.399 1.00 62.24 H new ATOM 0 HA2 GLY A 71 14.502 -14.498 -14.400 1.00 61.54 H new ATOM 0 HA3 GLY A 71 13.030 -13.752 -13.811 1.00 61.54 H new ATOM 1146 N SER A 72 14.485 -14.699 -11.726 1.00 55.33 N ATOM 1147 CA SER A 72 14.762 -15.228 -10.396 1.00 14.51 C ATOM 1148 C SER A 72 13.669 -14.821 -9.411 1.00 44.23 C ATOM 1149 O SER A 72 12.733 -14.107 -9.768 1.00 10.42 O ATOM 1150 CB SER A 72 16.121 -14.732 -9.900 1.00 4.10 C ATOM 1151 OG SER A 72 16.002 -13.477 -9.253 1.00 53.20 O ATOM 0 H SER A 72 14.908 -13.790 -11.915 1.00 55.33 H new ATOM 0 HA SER A 72 14.782 -16.316 -10.461 1.00 14.51 H new ATOM 0 HB2 SER A 72 16.548 -15.461 -9.211 1.00 4.10 H new ATOM 0 HB3 SER A 72 16.809 -14.647 -10.741 1.00 4.10 H new ATOM 0 HG SER A 72 16.884 -13.183 -8.944 1.00 53.20 H new ATOM 1157 N GLU A 73 13.798 -15.282 -8.171 1.00 51.30 N ATOM 1158 CA GLU A 73 12.822 -14.967 -7.135 1.00 15.22 C ATOM 1159 C GLU A 73 12.918 -13.500 -6.724 1.00 71.30 C ATOM 1160 O GLU A 73 11.910 -12.861 -6.427 1.00 0.32 O ATOM 1161 CB GLU A 73 13.033 -15.865 -5.914 1.00 52.30 C ATOM 1162 CG GLU A 73 12.049 -17.019 -5.830 1.00 34.21 C ATOM 1163 CD GLU A 73 12.496 -18.227 -6.631 1.00 53.51 C ATOM 1164 OE1 GLU A 73 12.535 -18.132 -7.876 1.00 21.05 O ATOM 1165 OE2 GLU A 73 12.806 -19.266 -6.013 1.00 24.14 O ATOM 0 H GLU A 73 14.568 -15.874 -7.860 1.00 51.30 H new ATOM 0 HA GLU A 73 11.827 -15.148 -7.542 1.00 15.22 H new ATOM 0 HB2 GLU A 73 14.047 -16.264 -5.938 1.00 52.30 H new ATOM 0 HB3 GLU A 73 12.950 -15.261 -5.011 1.00 52.30 H new ATOM 0 HG2 GLU A 73 11.921 -17.307 -4.787 1.00 34.21 H new ATOM 0 HG3 GLU A 73 11.075 -16.688 -6.191 1.00 34.21 H new ATOM 1172 N ASN A 74 14.139 -12.975 -6.710 1.00 13.04 N ATOM 1173 CA ASN A 74 14.368 -11.584 -6.334 1.00 70.53 C ATOM 1174 C ASN A 74 13.523 -10.644 -7.188 1.00 61.14 C ATOM 1175 O ASN A 74 13.186 -9.538 -6.765 1.00 15.30 O ATOM 1176 CB ASN A 74 15.850 -11.232 -6.481 1.00 73.44 C ATOM 1177 CG ASN A 74 16.754 -12.238 -5.795 1.00 72.23 C ATOM 1178 OD1 ASN A 74 16.318 -12.983 -4.917 1.00 63.45 O ATOM 1179 ND2 ASN A 74 18.020 -12.263 -6.194 1.00 24.24 N ATOM 0 H ASN A 74 14.984 -13.491 -6.954 1.00 13.04 H new ATOM 0 HA ASN A 74 14.074 -11.462 -5.292 1.00 70.53 H new ATOM 0 HB2 ASN A 74 16.105 -11.181 -7.539 1.00 73.44 H new ATOM 0 HB3 ASN A 74 16.029 -10.242 -6.062 1.00 73.44 H new ATOM 0 HD21 ASN A 74 18.676 -12.919 -5.769 1.00 24.24 H new ATOM 0 HD22 ASN A 74 18.337 -11.627 -6.925 1.00 24.24 H new ATOM 1186 N LEU A 75 13.184 -11.091 -8.392 1.00 61.44 N ATOM 1187 CA LEU A 75 12.378 -10.291 -9.307 1.00 14.30 C ATOM 1188 C LEU A 75 10.891 -10.575 -9.114 1.00 65.43 C ATOM 1189 O LEU A 75 10.088 -9.657 -8.951 1.00 40.13 O ATOM 1190 CB LEU A 75 12.779 -10.575 -10.755 1.00 65.22 C ATOM 1191 CG LEU A 75 11.819 -10.066 -11.831 1.00 2.13 C ATOM 1192 CD1 LEU A 75 12.583 -9.347 -12.932 1.00 25.32 C ATOM 1193 CD2 LEU A 75 11.005 -11.215 -12.407 1.00 23.44 C ATOM 0 H LEU A 75 13.455 -12.004 -8.757 1.00 61.44 H new ATOM 0 HA LEU A 75 12.560 -9.239 -9.086 1.00 14.30 H new ATOM 0 HB2 LEU A 75 13.759 -10.133 -10.933 1.00 65.22 H new ATOM 0 HB3 LEU A 75 12.889 -11.653 -10.875 1.00 65.22 H new ATOM 0 HG LEU A 75 11.132 -9.356 -11.371 1.00 2.13 H new ATOM 0 HD11 LEU A 75 11.883 -8.992 -13.688 1.00 25.32 H new ATOM 0 HD12 LEU A 75 13.120 -8.499 -12.508 1.00 25.32 H new ATOM 0 HD13 LEU A 75 13.294 -10.034 -13.390 1.00 25.32 H new ATOM 0 HD21 LEU A 75 10.327 -10.834 -13.171 1.00 23.44 H new ATOM 0 HD22 LEU A 75 11.676 -11.950 -12.851 1.00 23.44 H new ATOM 0 HD23 LEU A 75 10.427 -11.686 -11.612 1.00 23.44 H new ATOM 1205 N LYS A 76 10.532 -11.855 -9.132 1.00 4.40 N ATOM 1206 CA LYS A 76 9.144 -12.262 -8.956 1.00 34.32 C ATOM 1207 C LYS A 76 8.543 -11.624 -7.708 1.00 1.44 C ATOM 1208 O LYS A 76 7.349 -11.328 -7.663 1.00 60.03 O ATOM 1209 CB LYS A 76 9.047 -13.787 -8.859 1.00 15.53 C ATOM 1210 CG LYS A 76 7.674 -14.332 -9.213 1.00 30.44 C ATOM 1211 CD LYS A 76 7.770 -15.489 -10.193 1.00 32.41 C ATOM 1212 CE LYS A 76 8.592 -16.635 -9.624 1.00 24.31 C ATOM 1213 NZ LYS A 76 8.124 -17.035 -8.268 1.00 13.30 N ATOM 0 H LYS A 76 11.184 -12.628 -9.267 1.00 4.40 H new ATOM 0 HA LYS A 76 8.579 -11.922 -9.824 1.00 34.32 H new ATOM 0 HB2 LYS A 76 9.788 -14.233 -9.522 1.00 15.53 H new ATOM 0 HB3 LYS A 76 9.301 -14.095 -7.845 1.00 15.53 H new ATOM 0 HG2 LYS A 76 7.168 -14.663 -8.306 1.00 30.44 H new ATOM 0 HG3 LYS A 76 7.066 -13.537 -9.645 1.00 30.44 H new ATOM 0 HD2 LYS A 76 6.769 -15.844 -10.437 1.00 32.41 H new ATOM 0 HD3 LYS A 76 8.221 -15.143 -11.123 1.00 32.41 H new ATOM 0 HE2 LYS A 76 8.534 -17.492 -10.295 1.00 24.31 H new ATOM 0 HE3 LYS A 76 9.640 -16.340 -9.574 1.00 24.31 H new ATOM 0 HZ1 LYS A 76 8.553 -17.946 -8.007 1.00 13.30 H new ATOM 0 HZ2 LYS A 76 8.403 -16.310 -7.576 1.00 13.30 H new ATOM 0 HZ3 LYS A 76 7.088 -17.129 -8.272 1.00 13.30 H new ATOM 1227 N SER A 77 9.379 -11.412 -6.696 1.00 60.10 N ATOM 1228 CA SER A 77 8.930 -10.810 -5.446 1.00 73.21 C ATOM 1229 C SER A 77 8.386 -9.405 -5.685 1.00 1.34 C ATOM 1230 O SER A 77 7.307 -9.054 -5.205 1.00 3.33 O ATOM 1231 CB SER A 77 10.079 -10.761 -4.437 1.00 52.53 C ATOM 1232 OG SER A 77 9.768 -9.903 -3.353 1.00 24.25 O ATOM 0 H SER A 77 10.371 -11.648 -6.718 1.00 60.10 H new ATOM 0 HA SER A 77 8.128 -11.427 -5.041 1.00 73.21 H new ATOM 0 HB2 SER A 77 10.283 -11.765 -4.064 1.00 52.53 H new ATOM 0 HB3 SER A 77 10.987 -10.414 -4.931 1.00 52.53 H new ATOM 0 HG SER A 77 10.129 -9.009 -3.529 1.00 24.25 H new ATOM 1238 N LEU A 78 9.141 -8.604 -6.429 1.00 33.00 N ATOM 1239 CA LEU A 78 8.736 -7.236 -6.733 1.00 3.45 C ATOM 1240 C LEU A 78 7.504 -7.219 -7.631 1.00 13.31 C ATOM 1241 O LEU A 78 6.653 -6.336 -7.519 1.00 10.31 O ATOM 1242 CB LEU A 78 9.884 -6.482 -7.407 1.00 55.51 C ATOM 1243 CG LEU A 78 9.516 -5.152 -8.068 1.00 22.41 C ATOM 1244 CD1 LEU A 78 9.045 -4.150 -7.026 1.00 33.44 C ATOM 1245 CD2 LEU A 78 10.701 -4.598 -8.846 1.00 30.14 C ATOM 0 H LEU A 78 10.037 -8.878 -6.833 1.00 33.00 H new ATOM 0 HA LEU A 78 8.485 -6.741 -5.795 1.00 3.45 H new ATOM 0 HB2 LEU A 78 10.656 -6.293 -6.661 1.00 55.51 H new ATOM 0 HB3 LEU A 78 10.324 -7.131 -8.164 1.00 55.51 H new ATOM 0 HG LEU A 78 8.698 -5.329 -8.767 1.00 22.41 H new ATOM 0 HD11 LEU A 78 8.788 -3.210 -7.515 1.00 33.44 H new ATOM 0 HD12 LEU A 78 8.168 -4.544 -6.513 1.00 33.44 H new ATOM 0 HD13 LEU A 78 9.841 -3.976 -6.302 1.00 33.44 H new ATOM 0 HD21 LEU A 78 10.422 -3.652 -9.310 1.00 30.14 H new ATOM 0 HD22 LEU A 78 11.538 -4.436 -8.167 1.00 30.14 H new ATOM 0 HD23 LEU A 78 10.993 -5.309 -9.619 1.00 30.14 H new ATOM 1257 N PHE A 79 7.413 -8.202 -8.521 1.00 11.53 N ATOM 1258 CA PHE A 79 6.283 -8.301 -9.438 1.00 5.52 C ATOM 1259 C PHE A 79 4.983 -8.540 -8.676 1.00 24.13 C ATOM 1260 O PHE A 79 3.912 -8.114 -9.106 1.00 23.35 O ATOM 1261 CB PHE A 79 6.514 -9.430 -10.444 1.00 33.22 C ATOM 1262 CG PHE A 79 5.312 -9.731 -11.293 1.00 52.20 C ATOM 1263 CD1 PHE A 79 4.898 -8.841 -12.271 1.00 14.33 C ATOM 1264 CD2 PHE A 79 4.596 -10.903 -11.113 1.00 72.41 C ATOM 1265 CE1 PHE A 79 3.792 -9.114 -13.054 1.00 62.51 C ATOM 1266 CE2 PHE A 79 3.490 -11.183 -11.894 1.00 1.33 C ATOM 1267 CZ PHE A 79 3.087 -10.287 -12.865 1.00 10.35 C ATOM 0 H PHE A 79 8.108 -8.941 -8.627 1.00 11.53 H new ATOM 0 HA PHE A 79 6.199 -7.356 -9.975 1.00 5.52 H new ATOM 0 HB2 PHE A 79 7.349 -9.163 -11.092 1.00 33.22 H new ATOM 0 HB3 PHE A 79 6.804 -10.332 -9.905 1.00 33.22 H new ATOM 0 HD1 PHE A 79 5.446 -7.923 -12.423 1.00 14.33 H new ATOM 0 HD2 PHE A 79 4.905 -11.606 -10.354 1.00 72.41 H new ATOM 0 HE1 PHE A 79 3.479 -8.411 -13.812 1.00 62.51 H new ATOM 0 HE2 PHE A 79 2.942 -12.101 -11.745 1.00 1.33 H new ATOM 0 HZ PHE A 79 2.222 -10.503 -13.475 1.00 10.35 H new ATOM 1277 N ASN A 80 5.087 -9.226 -7.542 1.00 11.53 N ATOM 1278 CA ASN A 80 3.920 -9.523 -6.719 1.00 71.55 C ATOM 1279 C ASN A 80 3.435 -8.274 -5.990 1.00 22.20 C ATOM 1280 O ASN A 80 2.236 -8.090 -5.779 1.00 71.12 O ATOM 1281 CB ASN A 80 4.250 -10.623 -5.708 1.00 1.43 C ATOM 1282 CG ASN A 80 4.155 -12.011 -6.311 1.00 5.13 C ATOM 1283 OD1 ASN A 80 4.260 -12.181 -7.525 1.00 43.55 O ATOM 1284 ND2 ASN A 80 3.956 -13.012 -5.462 1.00 30.25 N ATOM 0 H ASN A 80 5.967 -9.586 -7.172 1.00 11.53 H new ATOM 0 HA ASN A 80 3.122 -9.870 -7.376 1.00 71.55 H new ATOM 0 HB2 ASN A 80 5.257 -10.466 -5.321 1.00 1.43 H new ATOM 0 HB3 ASN A 80 3.568 -10.551 -4.861 1.00 1.43 H new ATOM 0 HD21 ASN A 80 3.884 -13.968 -5.809 1.00 30.25 H new ATOM 0 HD22 ASN A 80 3.875 -12.825 -4.463 1.00 30.25 H new ATOM 1291 N THR A 81 4.376 -7.417 -5.607 1.00 1.24 N ATOM 1292 CA THR A 81 4.046 -6.185 -4.900 1.00 62.35 C ATOM 1293 C THR A 81 3.441 -5.154 -5.846 1.00 60.44 C ATOM 1294 O THR A 81 2.407 -4.556 -5.550 1.00 34.53 O ATOM 1295 CB THR A 81 5.288 -5.577 -4.222 1.00 40.54 C ATOM 1296 OG1 THR A 81 6.035 -6.601 -3.557 1.00 72.31 O ATOM 1297 CG2 THR A 81 4.887 -4.503 -3.222 1.00 33.55 C ATOM 0 H THR A 81 5.373 -7.553 -5.774 1.00 1.24 H new ATOM 0 HA THR A 81 3.315 -6.445 -4.135 1.00 62.35 H new ATOM 0 HB THR A 81 5.908 -5.120 -4.993 1.00 40.54 H new ATOM 0 HG1 THR A 81 6.824 -6.206 -3.130 1.00 72.31 H new ATOM 0 HG21 THR A 81 5.781 -4.088 -2.756 1.00 33.55 H new ATOM 0 HG22 THR A 81 4.345 -3.710 -3.737 1.00 33.55 H new ATOM 0 HG23 THR A 81 4.248 -4.940 -2.455 1.00 33.55 H new ATOM 1305 N VAL A 82 4.092 -4.951 -6.987 1.00 51.14 N ATOM 1306 CA VAL A 82 3.617 -3.993 -7.978 1.00 55.04 C ATOM 1307 C VAL A 82 2.170 -4.277 -8.367 1.00 50.42 C ATOM 1308 O VAL A 82 1.409 -3.360 -8.679 1.00 41.31 O ATOM 1309 CB VAL A 82 4.491 -4.016 -9.246 1.00 62.00 C ATOM 1310 CG1 VAL A 82 4.006 -2.980 -10.249 1.00 31.32 C ATOM 1311 CG2 VAL A 82 5.951 -3.782 -8.890 1.00 4.34 C ATOM 0 H VAL A 82 4.950 -5.437 -7.248 1.00 51.14 H new ATOM 0 HA VAL A 82 3.681 -3.006 -7.520 1.00 55.04 H new ATOM 0 HB VAL A 82 4.406 -5.000 -9.707 1.00 62.00 H new ATOM 0 HG11 VAL A 82 4.636 -3.011 -11.138 1.00 31.32 H new ATOM 0 HG12 VAL A 82 2.975 -3.198 -10.527 1.00 31.32 H new ATOM 0 HG13 VAL A 82 4.059 -1.988 -9.802 1.00 31.32 H new ATOM 0 HG21 VAL A 82 6.554 -3.801 -9.798 1.00 4.34 H new ATOM 0 HG22 VAL A 82 6.056 -2.812 -8.405 1.00 4.34 H new ATOM 0 HG23 VAL A 82 6.290 -4.565 -8.212 1.00 4.34 H new ATOM 1321 N CYS A 83 1.797 -5.551 -8.346 1.00 33.20 N ATOM 1322 CA CYS A 83 0.440 -5.957 -8.697 1.00 1.43 C ATOM 1323 C CYS A 83 -0.558 -5.485 -7.644 1.00 43.41 C ATOM 1324 O CYS A 83 -1.718 -5.212 -7.952 1.00 11.15 O ATOM 1325 CB CYS A 83 0.362 -7.477 -8.845 1.00 42.35 C ATOM 1326 SG CYS A 83 0.610 -8.067 -10.537 1.00 0.54 S ATOM 0 H CYS A 83 2.415 -6.321 -8.090 1.00 33.20 H new ATOM 0 HA CYS A 83 0.183 -5.493 -9.649 1.00 1.43 H new ATOM 0 HB2 CYS A 83 1.112 -7.933 -8.199 1.00 42.35 H new ATOM 0 HB3 CYS A 83 -0.612 -7.816 -8.492 1.00 42.35 H new ATOM 0 HG CYS A 83 1.150 -9.249 -10.510 1.00 0.54 H new ATOM 1332 N VAL A 84 -0.098 -5.392 -6.400 1.00 53.11 N ATOM 1333 CA VAL A 84 -0.950 -4.954 -5.301 1.00 53.42 C ATOM 1334 C VAL A 84 -1.073 -3.434 -5.273 1.00 25.32 C ATOM 1335 O VAL A 84 -2.147 -2.893 -5.009 1.00 44.22 O ATOM 1336 CB VAL A 84 -0.409 -5.440 -3.943 1.00 55.44 C ATOM 1337 CG1 VAL A 84 -1.302 -4.958 -2.810 1.00 4.44 C ATOM 1338 CG2 VAL A 84 -0.289 -6.956 -3.930 1.00 71.02 C ATOM 0 H VAL A 84 0.860 -5.614 -6.128 1.00 53.11 H new ATOM 0 HA VAL A 84 -1.934 -5.392 -5.469 1.00 53.42 H new ATOM 0 HB VAL A 84 0.585 -5.018 -3.795 1.00 55.44 H new ATOM 0 HG11 VAL A 84 -0.905 -5.311 -1.858 1.00 4.44 H new ATOM 0 HG12 VAL A 84 -1.332 -3.868 -2.809 1.00 4.44 H new ATOM 0 HG13 VAL A 84 -2.310 -5.349 -2.950 1.00 4.44 H new ATOM 0 HG21 VAL A 84 0.095 -7.282 -2.963 1.00 71.02 H new ATOM 0 HG22 VAL A 84 -1.270 -7.400 -4.100 1.00 71.02 H new ATOM 0 HG23 VAL A 84 0.394 -7.274 -4.718 1.00 71.02 H new ATOM 1348 N ILE A 85 0.034 -2.752 -5.546 1.00 63.13 N ATOM 1349 CA ILE A 85 0.051 -1.295 -5.554 1.00 14.43 C ATOM 1350 C ILE A 85 -0.967 -0.738 -6.544 1.00 33.53 C ATOM 1351 O ILE A 85 -1.601 0.285 -6.288 1.00 53.31 O ATOM 1352 CB ILE A 85 1.446 -0.749 -5.909 1.00 3.12 C ATOM 1353 CG1 ILE A 85 2.493 -1.292 -4.934 1.00 3.30 C ATOM 1354 CG2 ILE A 85 1.440 0.772 -5.894 1.00 53.45 C ATOM 1355 CD1 ILE A 85 2.354 -0.743 -3.531 1.00 64.31 C ATOM 0 H ILE A 85 0.931 -3.185 -5.765 1.00 63.13 H new ATOM 0 HA ILE A 85 -0.211 -0.972 -4.546 1.00 14.43 H new ATOM 0 HB ILE A 85 1.705 -1.082 -6.914 1.00 3.12 H new ATOM 0 HG12 ILE A 85 2.417 -2.379 -4.899 1.00 3.30 H new ATOM 0 HG13 ILE A 85 3.487 -1.054 -5.312 1.00 3.30 H new ATOM 0 HG21 ILE A 85 2.433 1.142 -6.147 1.00 53.45 H new ATOM 0 HG22 ILE A 85 0.719 1.140 -6.624 1.00 53.45 H new ATOM 0 HG23 ILE A 85 1.163 1.125 -4.901 1.00 53.45 H new ATOM 0 HD11 ILE A 85 3.128 -1.171 -2.894 1.00 64.31 H new ATOM 0 HD12 ILE A 85 2.460 0.342 -3.553 1.00 64.31 H new ATOM 0 HD13 ILE A 85 1.373 -1.004 -3.134 1.00 64.31 H new ATOM 1367 N TRP A 86 -1.119 -1.421 -7.673 1.00 15.32 N ATOM 1368 CA TRP A 86 -2.062 -0.996 -8.701 1.00 55.22 C ATOM 1369 C TRP A 86 -3.501 -1.215 -8.245 1.00 3.10 C ATOM 1370 O TRP A 86 -4.386 -0.413 -8.545 1.00 41.04 O ATOM 1371 CB TRP A 86 -1.806 -1.756 -10.003 1.00 61.32 C ATOM 1372 CG TRP A 86 -2.630 -1.261 -11.153 1.00 11.02 C ATOM 1373 CD1 TRP A 86 -2.228 -0.412 -12.144 1.00 64.42 C ATOM 1374 CD2 TRP A 86 -3.998 -1.583 -11.428 1.00 42.20 C ATOM 1375 NE1 TRP A 86 -3.263 -0.187 -13.019 1.00 62.23 N ATOM 1376 CE2 TRP A 86 -4.359 -0.894 -12.603 1.00 34.53 C ATOM 1377 CE3 TRP A 86 -4.951 -2.387 -10.798 1.00 54.11 C ATOM 1378 CZ2 TRP A 86 -5.633 -0.986 -13.157 1.00 35.44 C ATOM 1379 CZ3 TRP A 86 -6.216 -2.477 -11.349 1.00 5.21 C ATOM 1380 CH2 TRP A 86 -6.547 -1.781 -12.519 1.00 13.31 C ATOM 0 H TRP A 86 -0.602 -2.271 -7.900 1.00 15.32 H new ATOM 0 HA TRP A 86 -1.914 0.070 -8.875 1.00 55.22 H new ATOM 0 HB2 TRP A 86 -0.750 -1.675 -10.261 1.00 61.32 H new ATOM 0 HB3 TRP A 86 -2.015 -2.814 -9.845 1.00 61.32 H new ATOM 0 HD1 TRP A 86 -1.241 0.019 -12.228 1.00 64.42 H new ATOM 0 HE1 TRP A 86 -3.222 0.410 -13.845 1.00 62.23 H new ATOM 0 HE3 TRP A 86 -4.704 -2.929 -9.897 1.00 54.11 H new ATOM 0 HZ2 TRP A 86 -5.891 -0.449 -14.058 1.00 35.44 H new ATOM 0 HZ3 TRP A 86 -6.961 -3.094 -10.869 1.00 5.21 H new ATOM 0 HH2 TRP A 86 -7.543 -1.873 -12.926 1.00 13.31 H new ATOM 1391 N CYS A 87 -3.727 -2.304 -7.519 1.00 1.12 N ATOM 1392 CA CYS A 87 -5.059 -2.628 -7.022 1.00 33.25 C ATOM 1393 C CYS A 87 -5.502 -1.626 -5.961 1.00 35.14 C ATOM 1394 O CYS A 87 -6.690 -1.519 -5.652 1.00 4.24 O ATOM 1395 CB CYS A 87 -5.080 -4.044 -6.443 1.00 40.15 C ATOM 1396 SG CYS A 87 -5.653 -5.307 -7.604 1.00 4.21 S ATOM 0 H CYS A 87 -3.005 -2.977 -7.262 1.00 1.12 H new ATOM 0 HA CYS A 87 -5.755 -2.575 -7.859 1.00 33.25 H new ATOM 0 HB2 CYS A 87 -4.076 -4.303 -6.107 1.00 40.15 H new ATOM 0 HB3 CYS A 87 -5.723 -4.056 -5.563 1.00 40.15 H new ATOM 0 HG CYS A 87 -4.807 -6.294 -7.624 1.00 4.21 H new ATOM 1402 N ILE A 88 -4.541 -0.896 -5.406 1.00 30.04 N ATOM 1403 CA ILE A 88 -4.833 0.097 -4.379 1.00 25.32 C ATOM 1404 C ILE A 88 -5.281 1.415 -5.000 1.00 71.03 C ATOM 1405 O ILE A 88 -6.174 2.086 -4.482 1.00 73.02 O ATOM 1406 CB ILE A 88 -3.608 0.355 -3.482 1.00 45.40 C ATOM 1407 CG1 ILE A 88 -3.235 -0.913 -2.712 1.00 11.04 C ATOM 1408 CG2 ILE A 88 -3.887 1.502 -2.522 1.00 3.11 C ATOM 1409 CD1 ILE A 88 -1.854 -0.863 -2.097 1.00 63.24 C ATOM 0 H ILE A 88 -3.554 -0.973 -5.650 1.00 30.04 H new ATOM 0 HA ILE A 88 -5.641 -0.307 -3.769 1.00 25.32 H new ATOM 0 HB ILE A 88 -2.765 0.633 -4.115 1.00 45.40 H new ATOM 0 HG12 ILE A 88 -3.969 -1.079 -1.923 1.00 11.04 H new ATOM 0 HG13 ILE A 88 -3.293 -1.768 -3.386 1.00 11.04 H new ATOM 0 HG21 ILE A 88 -3.012 1.672 -1.895 1.00 3.11 H new ATOM 0 HG22 ILE A 88 -4.108 2.406 -3.090 1.00 3.11 H new ATOM 0 HG23 ILE A 88 -4.741 1.251 -1.893 1.00 3.11 H new ATOM 0 HD11 ILE A 88 -1.658 -1.795 -1.567 1.00 63.24 H new ATOM 0 HD12 ILE A 88 -1.110 -0.729 -2.883 1.00 63.24 H new ATOM 0 HD13 ILE A 88 -1.797 -0.029 -1.397 1.00 63.24 H new ATOM 1421 N HIS A 89 -4.657 1.780 -6.115 1.00 45.05 N ATOM 1422 CA HIS A 89 -4.993 3.018 -6.811 1.00 24.11 C ATOM 1423 C HIS A 89 -6.197 2.816 -7.726 1.00 31.20 C ATOM 1424 O HIS A 89 -6.870 3.808 -8.003 1.00 45.51 O ATOM 1425 CB HIS A 89 -3.796 3.512 -7.625 1.00 75.34 C ATOM 1426 CG HIS A 89 -2.581 3.791 -6.795 1.00 54.41 C ATOM 1427 ND1 HIS A 89 -2.636 4.421 -5.570 1.00 3.31 N ATOM 1428 CD2 HIS A 89 -1.274 3.522 -7.020 1.00 51.41 C ATOM 1429 CE1 HIS A 89 -1.414 4.528 -5.078 1.00 13.02 C ATOM 1430 NE2 HIS A 89 -0.570 3.989 -5.939 1.00 4.33 N ATOM 0 H HIS A 89 -3.916 1.236 -6.557 1.00 45.05 H new ATOM 0 HA HIS A 89 -5.248 3.769 -6.063 1.00 24.11 H new ATOM 0 HB2 HIS A 89 -3.547 2.765 -8.379 1.00 75.34 H new ATOM 0 HB3 HIS A 89 -4.079 4.420 -8.157 1.00 75.34 H new ATOM 0 HD2 HIS A 89 -0.862 3.031 -7.889 1.00 51.41 H new ATOM 0 HE1 HIS A 89 -1.151 4.979 -4.133 1.00 13.02 H new ATOM 0 HE2 HIS A 89 0.441 3.930 -5.820 1.00 4.33 H new ATOM 1438 N ALA A 90 -6.477 1.601 -8.186 1.00 31.32 N ATOM 1439 CA ALA A 90 -7.618 1.359 -9.061 1.00 3.14 C ATOM 1440 C ALA A 90 -8.878 1.071 -8.252 1.00 71.53 C ATOM 1441 O ALA A 90 -9.897 0.655 -8.803 1.00 13.33 O ATOM 1442 CB ALA A 90 -7.321 0.207 -10.009 1.00 21.44 C ATOM 0 H ALA A 90 -5.929 0.769 -7.967 1.00 31.32 H new ATOM 0 HA ALA A 90 -7.793 2.261 -9.648 1.00 3.14 H new ATOM 0 HB1 ALA A 90 -8.181 0.037 -10.656 1.00 21.44 H new ATOM 0 HB2 ALA A 90 -6.451 0.452 -10.618 1.00 21.44 H new ATOM 0 HB3 ALA A 90 -7.117 -0.695 -9.432 1.00 21.44 H new ATOM 1448 N GLU A 91 -8.800 1.293 -6.944 1.00 34.31 N ATOM 1449 CA GLU A 91 -9.936 1.054 -6.061 1.00 2.45 C ATOM 1450 C GLU A 91 -10.303 -0.427 -6.034 1.00 1.51 C ATOM 1451 O GLU A 91 -11.402 -0.796 -5.623 1.00 32.12 O ATOM 1452 CB GLU A 91 -11.142 1.882 -6.509 1.00 41.11 C ATOM 1453 CG GLU A 91 -12.047 2.308 -5.365 1.00 41.43 C ATOM 1454 CD GLU A 91 -11.456 3.438 -4.544 1.00 30.33 C ATOM 1455 OE1 GLU A 91 -10.552 3.165 -3.726 1.00 13.52 O ATOM 1456 OE2 GLU A 91 -11.897 4.593 -4.718 1.00 70.21 O ATOM 0 H GLU A 91 -7.964 1.637 -6.473 1.00 34.31 H new ATOM 0 HA GLU A 91 -9.650 1.358 -5.054 1.00 2.45 H new ATOM 0 HB2 GLU A 91 -10.788 2.771 -7.031 1.00 41.11 H new ATOM 0 HB3 GLU A 91 -11.724 1.302 -7.225 1.00 41.11 H new ATOM 0 HG2 GLU A 91 -13.011 2.621 -5.766 1.00 41.43 H new ATOM 0 HG3 GLU A 91 -12.234 1.452 -4.717 1.00 41.43 H new ATOM 1463 N GLU A 92 -9.374 -1.269 -6.476 1.00 51.41 N ATOM 1464 CA GLU A 92 -9.601 -2.709 -6.504 1.00 42.22 C ATOM 1465 C GLU A 92 -9.392 -3.320 -5.121 1.00 41.55 C ATOM 1466 O GLU A 92 -8.451 -2.967 -4.410 1.00 12.13 O ATOM 1467 CB GLU A 92 -8.665 -3.375 -7.515 1.00 21.12 C ATOM 1468 CG GLU A 92 -9.196 -3.360 -8.938 1.00 73.33 C ATOM 1469 CD GLU A 92 -10.375 -4.295 -9.131 1.00 2.23 C ATOM 1470 OE1 GLU A 92 -10.868 -4.844 -8.124 1.00 24.43 O ATOM 1471 OE2 GLU A 92 -10.804 -4.476 -10.289 1.00 54.14 O ATOM 0 H GLU A 92 -8.458 -0.979 -6.819 1.00 51.41 H new ATOM 0 HA GLU A 92 -10.634 -2.883 -6.806 1.00 42.22 H new ATOM 0 HB2 GLU A 92 -7.700 -2.870 -7.491 1.00 21.12 H new ATOM 0 HB3 GLU A 92 -8.492 -4.408 -7.212 1.00 21.12 H new ATOM 0 HG2 GLU A 92 -9.495 -2.345 -9.199 1.00 73.33 H new ATOM 0 HG3 GLU A 92 -8.397 -3.643 -9.623 1.00 73.33 H new ATOM 1478 N LYS A 93 -10.277 -4.238 -4.747 1.00 45.50 N ATOM 1479 CA LYS A 93 -10.191 -4.899 -3.451 1.00 21.34 C ATOM 1480 C LYS A 93 -9.716 -6.340 -3.606 1.00 23.44 C ATOM 1481 O LYS A 93 -10.248 -7.096 -4.419 1.00 43.01 O ATOM 1482 CB LYS A 93 -11.551 -4.872 -2.750 1.00 74.33 C ATOM 1483 CG LYS A 93 -12.687 -5.406 -3.606 1.00 62.23 C ATOM 1484 CD LYS A 93 -13.631 -4.296 -4.035 1.00 73.04 C ATOM 1485 CE LYS A 93 -14.063 -4.460 -5.485 1.00 23.43 C ATOM 1486 NZ LYS A 93 -15.043 -3.417 -5.893 1.00 54.22 N ATOM 0 H LYS A 93 -11.062 -4.541 -5.324 1.00 45.50 H new ATOM 0 HA LYS A 93 -9.465 -4.359 -2.843 1.00 21.34 H new ATOM 0 HB2 LYS A 93 -11.490 -5.460 -1.834 1.00 74.33 H new ATOM 0 HB3 LYS A 93 -11.779 -3.847 -2.457 1.00 74.33 H new ATOM 0 HG2 LYS A 93 -12.278 -5.899 -4.488 1.00 62.23 H new ATOM 0 HG3 LYS A 93 -13.241 -6.160 -3.048 1.00 62.23 H new ATOM 0 HD2 LYS A 93 -14.510 -4.295 -3.390 1.00 73.04 H new ATOM 0 HD3 LYS A 93 -13.141 -3.331 -3.907 1.00 73.04 H new ATOM 0 HE2 LYS A 93 -13.188 -4.409 -6.133 1.00 23.43 H new ATOM 0 HE3 LYS A 93 -14.505 -5.447 -5.623 1.00 23.43 H new ATOM 0 HZ1 LYS A 93 -15.312 -3.563 -6.887 1.00 54.22 H new ATOM 0 HZ2 LYS A 93 -15.889 -3.482 -5.292 1.00 54.22 H new ATOM 0 HZ3 LYS A 93 -14.613 -2.476 -5.786 1.00 54.22 H new ATOM 1500 N VAL A 94 -8.712 -6.716 -2.819 1.00 40.21 N ATOM 1501 CA VAL A 94 -8.167 -8.067 -2.867 1.00 70.24 C ATOM 1502 C VAL A 94 -7.927 -8.613 -1.464 1.00 61.45 C ATOM 1503 O VAL A 94 -7.562 -7.872 -0.551 1.00 62.45 O ATOM 1504 CB VAL A 94 -6.845 -8.112 -3.657 1.00 12.41 C ATOM 1505 CG1 VAL A 94 -7.095 -7.843 -5.133 1.00 14.10 C ATOM 1506 CG2 VAL A 94 -5.850 -7.113 -3.086 1.00 13.52 C ATOM 0 H VAL A 94 -8.260 -6.103 -2.141 1.00 40.21 H new ATOM 0 HA VAL A 94 -8.905 -8.688 -3.374 1.00 70.24 H new ATOM 0 HB VAL A 94 -6.419 -9.111 -3.562 1.00 12.41 H new ATOM 0 HG11 VAL A 94 -6.150 -7.879 -5.675 1.00 14.10 H new ATOM 0 HG12 VAL A 94 -7.770 -8.600 -5.531 1.00 14.10 H new ATOM 0 HG13 VAL A 94 -7.544 -6.857 -5.252 1.00 14.10 H new ATOM 0 HG21 VAL A 94 -4.922 -7.158 -3.656 1.00 13.52 H new ATOM 0 HG22 VAL A 94 -6.267 -6.108 -3.150 1.00 13.52 H new ATOM 0 HG23 VAL A 94 -5.648 -7.357 -2.043 1.00 13.52 H new ATOM 1516 N LYS A 95 -8.134 -9.915 -1.299 1.00 61.41 N ATOM 1517 CA LYS A 95 -7.939 -10.564 -0.008 1.00 4.33 C ATOM 1518 C LYS A 95 -6.462 -10.857 0.236 1.00 4.53 C ATOM 1519 O LYS A 95 -5.918 -10.520 1.288 1.00 2.51 O ATOM 1520 CB LYS A 95 -8.745 -11.862 0.061 1.00 31.53 C ATOM 1521 CG LYS A 95 -10.248 -11.650 -0.006 1.00 5.21 C ATOM 1522 CD LYS A 95 -10.951 -12.256 1.197 1.00 61.54 C ATOM 1523 CE LYS A 95 -12.335 -12.770 0.832 1.00 73.21 C ATOM 1524 NZ LYS A 95 -13.098 -13.210 2.033 1.00 0.20 N ATOM 0 H LYS A 95 -8.437 -10.542 -2.044 1.00 61.41 H new ATOM 0 HA LYS A 95 -8.290 -9.884 0.768 1.00 4.33 H new ATOM 0 HB2 LYS A 95 -8.441 -12.512 -0.759 1.00 31.53 H new ATOM 0 HB3 LYS A 95 -8.501 -12.382 0.987 1.00 31.53 H new ATOM 0 HG2 LYS A 95 -10.464 -10.583 -0.055 1.00 5.21 H new ATOM 0 HG3 LYS A 95 -10.639 -12.097 -0.920 1.00 5.21 H new ATOM 0 HD2 LYS A 95 -10.351 -13.074 1.596 1.00 61.54 H new ATOM 0 HD3 LYS A 95 -11.036 -11.508 1.985 1.00 61.54 H new ATOM 0 HE2 LYS A 95 -12.889 -11.986 0.317 1.00 73.21 H new ATOM 0 HE3 LYS A 95 -12.241 -13.604 0.136 1.00 73.21 H new ATOM 0 HZ1 LYS A 95 -14.036 -13.553 1.742 1.00 0.20 H new ATOM 0 HZ2 LYS A 95 -12.582 -13.976 2.511 1.00 0.20 H new ATOM 0 HZ3 LYS A 95 -13.210 -12.408 2.686 1.00 0.20 H new ATOM 1538 N ASP A 96 -5.818 -11.484 -0.742 1.00 52.10 N ATOM 1539 CA ASP A 96 -4.403 -11.820 -0.634 1.00 52.44 C ATOM 1540 C ASP A 96 -3.636 -11.338 -1.862 1.00 24.42 C ATOM 1541 O ASP A 96 -4.195 -10.680 -2.739 1.00 73.24 O ATOM 1542 CB ASP A 96 -4.227 -13.330 -0.467 1.00 4.54 C ATOM 1543 CG ASP A 96 -5.018 -14.122 -1.489 1.00 3.03 C ATOM 1544 OD1 ASP A 96 -4.809 -13.903 -2.701 1.00 22.44 O ATOM 1545 OD2 ASP A 96 -5.845 -14.961 -1.077 1.00 31.43 O ATOM 0 H ASP A 96 -6.253 -11.770 -1.619 1.00 52.10 H new ATOM 0 HA ASP A 96 -4.000 -11.316 0.245 1.00 52.44 H new ATOM 0 HB2 ASP A 96 -3.170 -13.582 -0.556 1.00 4.54 H new ATOM 0 HB3 ASP A 96 -4.541 -13.621 0.536 1.00 4.54 H new ATOM 1550 N THR A 97 -2.349 -11.670 -1.917 1.00 34.21 N ATOM 1551 CA THR A 97 -1.504 -11.270 -3.035 1.00 32.42 C ATOM 1552 C THR A 97 -1.937 -11.958 -4.325 1.00 12.42 C ATOM 1553 O THR A 97 -1.940 -11.347 -5.393 1.00 11.31 O ATOM 1554 CB THR A 97 -0.023 -11.597 -2.765 1.00 34.24 C ATOM 1555 OG1 THR A 97 0.438 -10.870 -1.620 1.00 72.33 O ATOM 1556 CG2 THR A 97 0.836 -11.252 -3.971 1.00 40.23 C ATOM 0 H THR A 97 -1.870 -12.215 -1.200 1.00 34.21 H new ATOM 0 HA THR A 97 -1.616 -10.191 -3.146 1.00 32.42 H new ATOM 0 HB THR A 97 0.061 -12.667 -2.574 1.00 34.24 H new ATOM 0 HG1 THR A 97 0.942 -10.082 -1.914 1.00 72.33 H new ATOM 0 HG21 THR A 97 1.877 -11.492 -3.756 1.00 40.23 H new ATOM 0 HG22 THR A 97 0.501 -11.829 -4.833 1.00 40.23 H new ATOM 0 HG23 THR A 97 0.746 -10.188 -4.189 1.00 40.23 H new ATOM 1564 N GLU A 98 -2.303 -13.231 -4.217 1.00 71.25 N ATOM 1565 CA GLU A 98 -2.738 -14.001 -5.377 1.00 51.42 C ATOM 1566 C GLU A 98 -3.918 -13.323 -6.068 1.00 71.21 C ATOM 1567 O GLU A 98 -3.921 -13.147 -7.286 1.00 20.04 O ATOM 1568 CB GLU A 98 -3.125 -15.421 -4.959 1.00 45.21 C ATOM 1569 CG GLU A 98 -2.007 -16.434 -5.141 1.00 71.32 C ATOM 1570 CD GLU A 98 -2.464 -17.682 -5.872 1.00 52.55 C ATOM 1571 OE1 GLU A 98 -2.397 -17.695 -7.120 1.00 31.44 O ATOM 1572 OE2 GLU A 98 -2.889 -18.643 -5.199 1.00 30.04 O ATOM 0 H GLU A 98 -2.307 -13.751 -3.339 1.00 71.25 H new ATOM 0 HA GLU A 98 -1.907 -14.051 -6.080 1.00 51.42 H new ATOM 0 HB2 GLU A 98 -3.430 -15.413 -3.912 1.00 45.21 H new ATOM 0 HB3 GLU A 98 -3.990 -15.739 -5.540 1.00 45.21 H new ATOM 0 HG2 GLU A 98 -1.190 -15.972 -5.695 1.00 71.32 H new ATOM 0 HG3 GLU A 98 -1.612 -16.714 -4.164 1.00 71.32 H new ATOM 1579 N GLY A 99 -4.921 -12.946 -5.280 1.00 44.23 N ATOM 1580 CA GLY A 99 -6.093 -12.293 -5.833 1.00 10.11 C ATOM 1581 C GLY A 99 -5.745 -11.044 -6.618 1.00 50.10 C ATOM 1582 O GLY A 99 -6.342 -10.770 -7.658 1.00 75.25 O ATOM 0 H GLY A 99 -4.942 -13.081 -4.269 1.00 44.23 H new ATOM 0 HA2 GLY A 99 -6.621 -12.991 -6.482 1.00 10.11 H new ATOM 0 HA3 GLY A 99 -6.775 -12.032 -5.024 1.00 10.11 H new ATOM 1586 N ALA A 100 -4.777 -10.283 -6.118 1.00 63.11 N ATOM 1587 CA ALA A 100 -4.350 -9.057 -6.780 1.00 52.50 C ATOM 1588 C ALA A 100 -3.693 -9.357 -8.123 1.00 23.34 C ATOM 1589 O ALA A 100 -3.860 -8.612 -9.089 1.00 21.45 O ATOM 1590 CB ALA A 100 -3.396 -8.278 -5.886 1.00 34.44 C ATOM 0 H ALA A 100 -4.274 -10.494 -5.256 1.00 63.11 H new ATOM 0 HA ALA A 100 -5.235 -8.448 -6.966 1.00 52.50 H new ATOM 0 HB1 ALA A 100 -3.085 -7.365 -6.394 1.00 34.44 H new ATOM 0 HB2 ALA A 100 -3.899 -8.022 -4.953 1.00 34.44 H new ATOM 0 HB3 ALA A 100 -2.520 -8.889 -5.670 1.00 34.44 H new ATOM 1596 N LYS A 101 -2.943 -10.453 -8.177 1.00 34.32 N ATOM 1597 CA LYS A 101 -2.260 -10.854 -9.401 1.00 54.11 C ATOM 1598 C LYS A 101 -3.264 -11.204 -10.495 1.00 34.44 C ATOM 1599 O LYS A 101 -2.996 -11.011 -11.680 1.00 54.10 O ATOM 1600 CB LYS A 101 -1.346 -12.051 -9.131 1.00 41.10 C ATOM 1601 CG LYS A 101 0.134 -11.713 -9.197 1.00 75.20 C ATOM 1602 CD LYS A 101 0.997 -12.937 -8.941 1.00 72.23 C ATOM 1603 CE LYS A 101 1.000 -13.877 -10.137 1.00 40.24 C ATOM 1604 NZ LYS A 101 1.107 -15.303 -9.722 1.00 53.12 N ATOM 0 H LYS A 101 -2.793 -11.080 -7.386 1.00 34.32 H new ATOM 0 HA LYS A 101 -1.656 -10.013 -9.742 1.00 54.11 H new ATOM 0 HB2 LYS A 101 -1.574 -12.457 -8.145 1.00 41.10 H new ATOM 0 HB3 LYS A 101 -1.564 -12.835 -9.856 1.00 41.10 H new ATOM 0 HG2 LYS A 101 0.370 -11.299 -10.177 1.00 75.20 H new ATOM 0 HG3 LYS A 101 0.366 -10.943 -8.461 1.00 75.20 H new ATOM 0 HD2 LYS A 101 2.018 -12.624 -8.720 1.00 72.23 H new ATOM 0 HD3 LYS A 101 0.629 -13.466 -8.062 1.00 72.23 H new ATOM 0 HE2 LYS A 101 0.086 -13.734 -10.713 1.00 40.24 H new ATOM 0 HE3 LYS A 101 1.833 -13.626 -10.794 1.00 40.24 H new ATOM 0 HZ1 LYS A 101 1.106 -15.911 -10.566 1.00 53.12 H new ATOM 0 HZ2 LYS A 101 1.992 -15.445 -9.194 1.00 53.12 H new ATOM 0 HZ3 LYS A 101 0.299 -15.550 -9.116 1.00 53.12 H new ATOM 1618 N GLN A 102 -4.420 -11.719 -10.088 1.00 32.04 N ATOM 1619 CA GLN A 102 -5.464 -12.095 -11.034 1.00 21.21 C ATOM 1620 C GLN A 102 -6.176 -10.861 -11.578 1.00 63.01 C ATOM 1621 O GLN A 102 -6.241 -10.654 -12.790 1.00 61.53 O ATOM 1622 CB GLN A 102 -6.475 -13.029 -10.366 1.00 0.40 C ATOM 1623 CG GLN A 102 -7.280 -13.860 -11.352 1.00 44.23 C ATOM 1624 CD GLN A 102 -7.449 -15.297 -10.902 1.00 63.53 C ATOM 1625 OE1 GLN A 102 -6.473 -15.981 -10.590 1.00 74.33 O ATOM 1626 NE2 GLN A 102 -8.691 -15.764 -10.866 1.00 33.40 N ATOM 0 H GLN A 102 -4.657 -11.885 -9.110 1.00 32.04 H new ATOM 0 HA GLN A 102 -4.993 -12.617 -11.867 1.00 21.21 H new ATOM 0 HB2 GLN A 102 -5.946 -13.698 -9.687 1.00 0.40 H new ATOM 0 HB3 GLN A 102 -7.160 -12.436 -9.760 1.00 0.40 H new ATOM 0 HG2 GLN A 102 -8.262 -13.407 -11.486 1.00 44.23 H new ATOM 0 HG3 GLN A 102 -6.786 -13.843 -12.324 1.00 44.23 H new ATOM 0 HE21 GLN A 102 -9.470 -15.162 -11.133 1.00 33.40 H new ATOM 0 HE22 GLN A 102 -8.866 -16.725 -10.571 1.00 33.40 H new ATOM 1635 N ILE A 103 -6.708 -10.045 -10.675 1.00 2.41 N ATOM 1636 CA ILE A 103 -7.414 -8.831 -11.065 1.00 51.22 C ATOM 1637 C ILE A 103 -6.572 -7.986 -12.015 1.00 60.13 C ATOM 1638 O ILE A 103 -7.039 -7.575 -13.077 1.00 51.25 O ATOM 1639 CB ILE A 103 -7.792 -7.980 -9.838 1.00 72.22 C ATOM 1640 CG1 ILE A 103 -8.676 -8.786 -8.885 1.00 35.35 C ATOM 1641 CG2 ILE A 103 -8.499 -6.706 -10.275 1.00 1.43 C ATOM 1642 CD1 ILE A 103 -9.073 -8.025 -7.639 1.00 52.32 C ATOM 0 H ILE A 103 -6.664 -10.202 -9.668 1.00 2.41 H new ATOM 0 HA ILE A 103 -8.325 -9.146 -11.573 1.00 51.22 H new ATOM 0 HB ILE A 103 -6.879 -7.703 -9.311 1.00 72.22 H new ATOM 0 HG12 ILE A 103 -9.577 -9.097 -9.414 1.00 35.35 H new ATOM 0 HG13 ILE A 103 -8.148 -9.694 -8.594 1.00 35.35 H new ATOM 0 HG21 ILE A 103 -8.760 -6.115 -9.397 1.00 1.43 H new ATOM 0 HG22 ILE A 103 -7.838 -6.126 -10.919 1.00 1.43 H new ATOM 0 HG23 ILE A 103 -9.406 -6.963 -10.822 1.00 1.43 H new ATOM 0 HD11 ILE A 103 -9.699 -8.658 -7.010 1.00 52.32 H new ATOM 0 HD12 ILE A 103 -8.178 -7.737 -7.088 1.00 52.32 H new ATOM 0 HD13 ILE A 103 -9.629 -7.131 -7.921 1.00 52.32 H new ATOM 1654 N VAL A 104 -5.326 -7.732 -11.627 1.00 34.15 N ATOM 1655 CA VAL A 104 -4.417 -6.939 -12.445 1.00 1.13 C ATOM 1656 C VAL A 104 -4.236 -7.560 -13.825 1.00 70.11 C ATOM 1657 O VAL A 104 -4.379 -6.885 -14.845 1.00 14.25 O ATOM 1658 CB VAL A 104 -3.038 -6.796 -11.773 1.00 50.15 C ATOM 1659 CG1 VAL A 104 -2.086 -6.017 -12.668 1.00 55.35 C ATOM 1660 CG2 VAL A 104 -3.174 -6.126 -10.415 1.00 14.53 C ATOM 0 H VAL A 104 -4.923 -8.064 -10.751 1.00 34.15 H new ATOM 0 HA VAL A 104 -4.866 -5.951 -12.551 1.00 1.13 H new ATOM 0 HB VAL A 104 -2.622 -7.792 -11.621 1.00 50.15 H new ATOM 0 HG11 VAL A 104 -1.117 -5.926 -12.177 1.00 55.35 H new ATOM 0 HG12 VAL A 104 -1.965 -6.543 -13.615 1.00 55.35 H new ATOM 0 HG13 VAL A 104 -2.493 -5.023 -12.854 1.00 55.35 H new ATOM 0 HG21 VAL A 104 -2.190 -6.033 -9.955 1.00 14.53 H new ATOM 0 HG22 VAL A 104 -3.611 -5.135 -10.540 1.00 14.53 H new ATOM 0 HG23 VAL A 104 -3.819 -6.728 -9.775 1.00 14.53 H new ATOM 1670 N ARG A 105 -3.921 -8.851 -13.850 1.00 43.14 N ATOM 1671 CA ARG A 105 -3.719 -9.564 -15.106 1.00 53.31 C ATOM 1672 C ARG A 105 -4.922 -9.391 -16.029 1.00 14.55 C ATOM 1673 O ARG A 105 -4.782 -8.966 -17.175 1.00 43.15 O ATOM 1674 CB ARG A 105 -3.477 -11.051 -14.840 1.00 11.41 C ATOM 1675 CG ARG A 105 -3.290 -11.873 -16.104 1.00 74.13 C ATOM 1676 CD ARG A 105 -2.223 -12.941 -15.922 1.00 12.03 C ATOM 1677 NE ARG A 105 -1.018 -12.648 -16.693 1.00 11.01 N ATOM 1678 CZ ARG A 105 -0.043 -13.527 -16.895 1.00 2.05 C ATOM 1679 NH1 ARG A 105 -0.130 -14.748 -16.385 1.00 13.21 N ATOM 1680 NH2 ARG A 105 1.023 -13.186 -17.608 1.00 12.52 N ATOM 0 H ARG A 105 -3.800 -9.424 -13.015 1.00 43.14 H new ATOM 0 HA ARG A 105 -2.842 -9.142 -15.597 1.00 53.31 H new ATOM 0 HB2 ARG A 105 -2.593 -11.160 -14.212 1.00 11.41 H new ATOM 0 HB3 ARG A 105 -4.320 -11.453 -14.277 1.00 11.41 H new ATOM 0 HG2 ARG A 105 -4.235 -12.344 -16.376 1.00 74.13 H new ATOM 0 HG3 ARG A 105 -3.012 -11.216 -16.928 1.00 74.13 H new ATOM 0 HD2 ARG A 105 -1.967 -13.021 -14.866 1.00 12.03 H new ATOM 0 HD3 ARG A 105 -2.622 -13.908 -16.227 1.00 12.03 H new ATOM 0 HE ARG A 105 -0.920 -11.717 -17.099 1.00 11.01 H new ATOM 0 HH11 ARG A 105 -0.947 -15.014 -15.836 1.00 13.21 H new ATOM 0 HH12 ARG A 105 0.620 -15.421 -16.542 1.00 13.21 H new ATOM 0 HH21 ARG A 105 1.094 -12.248 -18.002 1.00 12.52 H new ATOM 0 HH22 ARG A 105 1.771 -13.862 -17.762 1.00 12.52 H new ATOM 1694 N ARG A 106 -6.104 -9.723 -15.520 1.00 14.34 N ATOM 1695 CA ARG A 106 -7.331 -9.606 -16.298 1.00 55.31 C ATOM 1696 C ARG A 106 -7.464 -8.208 -16.897 1.00 34.44 C ATOM 1697 O ARG A 106 -8.047 -8.033 -17.967 1.00 53.12 O ATOM 1698 CB ARG A 106 -8.547 -9.915 -15.423 1.00 14.13 C ATOM 1699 CG ARG A 106 -9.016 -11.358 -15.519 1.00 1.41 C ATOM 1700 CD ARG A 106 -9.635 -11.653 -16.876 1.00 71.00 C ATOM 1701 NE ARG A 106 -8.715 -12.372 -17.753 1.00 4.12 N ATOM 1702 CZ ARG A 106 -8.902 -12.509 -19.061 1.00 23.33 C ATOM 1703 NH1 ARG A 106 -9.970 -11.979 -19.640 1.00 61.12 N ATOM 1704 NH2 ARG A 106 -8.019 -13.178 -19.792 1.00 1.31 N ATOM 0 H ARG A 106 -6.238 -10.075 -14.572 1.00 14.34 H new ATOM 0 HA ARG A 106 -7.285 -10.329 -17.112 1.00 55.31 H new ATOM 0 HB2 ARG A 106 -8.304 -9.689 -14.385 1.00 14.13 H new ATOM 0 HB3 ARG A 106 -9.367 -9.256 -15.709 1.00 14.13 H new ATOM 0 HG2 ARG A 106 -8.173 -12.028 -15.349 1.00 1.41 H new ATOM 0 HG3 ARG A 106 -9.745 -11.558 -14.734 1.00 1.41 H new ATOM 0 HD2 ARG A 106 -10.542 -12.243 -16.740 1.00 71.00 H new ATOM 0 HD3 ARG A 106 -9.931 -10.717 -17.350 1.00 71.00 H new ATOM 0 HE ARG A 106 -7.883 -12.792 -17.338 1.00 4.12 H new ATOM 0 HH11 ARG A 106 -10.651 -11.464 -19.081 1.00 61.12 H new ATOM 0 HH12 ARG A 106 -10.111 -12.086 -20.645 1.00 61.12 H new ATOM 0 HH21 ARG A 106 -7.196 -13.587 -19.349 1.00 1.31 H new ATOM 0 HH22 ARG A 106 -8.163 -13.283 -20.796 1.00 1.31 H new ATOM 1718 N HIS A 107 -6.921 -7.217 -16.198 1.00 45.32 N ATOM 1719 CA HIS A 107 -6.978 -5.834 -16.660 1.00 41.11 C ATOM 1720 C HIS A 107 -5.910 -5.571 -17.718 1.00 41.01 C ATOM 1721 O HIS A 107 -6.148 -4.704 -18.560 1.00 1.32 O ATOM 1722 CB HIS A 107 -6.795 -4.873 -15.485 1.00 2.10 C ATOM 1723 CG HIS A 107 -8.000 -4.772 -14.601 1.00 22.23 C ATOM 1724 ND1 HIS A 107 -9.267 -4.518 -15.081 1.00 61.32 N ATOM 1725 CD2 HIS A 107 -8.126 -4.894 -13.259 1.00 2.24 C ATOM 1726 CE1 HIS A 107 -10.120 -4.487 -14.073 1.00 23.43 C ATOM 1727 NE2 HIS A 107 -9.452 -4.713 -12.955 1.00 72.14 N ATOM 0 H HIS A 107 -6.436 -7.345 -15.310 1.00 45.32 H new ATOM 0 HA HIS A 107 -7.958 -5.666 -17.107 1.00 41.11 H new ATOM 0 HB2 HIS A 107 -5.943 -5.200 -14.888 1.00 2.10 H new ATOM 0 HB3 HIS A 107 -6.553 -3.883 -15.871 1.00 2.10 H new ATOM 0 HD2 HIS A 107 -7.330 -5.096 -12.557 1.00 2.24 H new ATOM 0 HE1 HIS A 107 -11.182 -4.308 -14.149 1.00 23.43 H new ATOM 0 HE2 HIS A 107 -9.856 -4.747 -12.019 1.00 72.14 H new ATOM 1735 N LEU A 108 -4.780 -6.270 -17.700 1.00 14.11 N ATOM 1736 CA LEU A 108 -3.731 -6.054 -18.690 1.00 70.00 C ATOM 1737 C LEU A 108 -4.046 -6.792 -19.987 1.00 70.21 C ATOM 1738 O LEU A 108 -4.014 -6.208 -21.070 1.00 50.40 O ATOM 1739 CB LEU A 108 -2.381 -6.518 -18.141 1.00 20.24 C ATOM 1740 CG LEU A 108 -1.916 -5.847 -16.848 1.00 21.12 C ATOM 1741 CD1 LEU A 108 -0.642 -6.501 -16.335 1.00 73.30 C ATOM 1742 CD2 LEU A 108 -1.701 -4.357 -17.068 1.00 3.20 C ATOM 0 H LEU A 108 -4.567 -6.991 -17.011 1.00 14.11 H new ATOM 0 HA LEU A 108 -3.682 -4.986 -18.904 1.00 70.00 H new ATOM 0 HB2 LEU A 108 -2.431 -7.594 -17.971 1.00 20.24 H new ATOM 0 HB3 LEU A 108 -1.623 -6.351 -18.906 1.00 20.24 H new ATOM 0 HG LEU A 108 -2.694 -5.975 -16.095 1.00 21.12 H new ATOM 0 HD11 LEU A 108 -0.326 -6.010 -15.414 1.00 73.30 H new ATOM 0 HD12 LEU A 108 -0.829 -7.557 -16.138 1.00 73.30 H new ATOM 0 HD13 LEU A 108 0.143 -6.405 -17.085 1.00 73.30 H new ATOM 0 HD21 LEU A 108 -1.370 -3.896 -16.137 1.00 3.20 H new ATOM 0 HD22 LEU A 108 -0.942 -4.208 -17.836 1.00 3.20 H new ATOM 0 HD23 LEU A 108 -2.636 -3.898 -17.388 1.00 3.20 H new