USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 959 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 52 CYS SG : rot 160:sc= 0 USER MOD Set 1.2: A 54 TYR OH : rot 166:sc= 0 USER MOD Set 2.1: A 49 CYS SG : rot 16:sc= 0.912 USER MOD Set 2.2: A 55 SER OG : rot 180:sc= -0.02 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 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 33 ASN : amide:sc= -0.052 K(o=-0.052,f=-3.4!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 CYS SG : rot 19:sc= 0.0348 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 58:sc= -0.982 USER MOD Single : A 45 ASN : amide:sc= 0.0731 K(o=0.073,f=-3.5!) USER MOD Single : A 60 MET CE :methyl -170:sc= 0 (180deg=-0.0961) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0.0135 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.64 K(o=0.64,f=-2.4!) USER MOD Single : A 74 THR OG1 : rot -89:sc= 1.34 USER MOD Single : A 75 GLN : amide:sc= 0.0882 X(o=0.088,f=-0.25) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.0341 X(o=-0.034,f=-0.034) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0.118 USER MOD Single : A 101 LYS NZ :NH3+ -176:sc=-0.00578 (180deg=-0.0275) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot -38:sc= -0.0817 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0.884 K(o=0.88,f=-3.3!) USER MOD Single : A 124 MET CE :methyl -113:sc=-0.000592 (180deg=-0.106) USER MOD Single : A 128 ASN : amide:sc= 0.749 K(o=0.75,f=-0.38) USER MOD Single : A 133 MET CE :methyl -121:sc= 0 (180deg=-0.0305) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 191 N THR A 13 7.429 4.207 -23.102 1.00 0.00 N ATOM 192 CA THR A 13 8.494 5.236 -23.085 1.00 0.00 C ATOM 193 C THR A 13 7.982 6.684 -22.998 1.00 0.00 C ATOM 194 O THR A 13 8.639 7.522 -22.384 1.00 0.00 O ATOM 195 CB THR A 13 9.431 5.013 -24.282 1.00 0.00 C ATOM 196 OG1 THR A 13 10.537 5.888 -24.219 1.00 0.00 O ATOM 197 CG2 THR A 13 8.726 5.226 -25.619 1.00 0.00 C ATOM 0 HA THR A 13 9.052 5.108 -22.158 1.00 0.00 H new ATOM 0 HB THR A 13 9.761 3.976 -24.222 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.123 5.730 -24.988 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.431 5.057 -26.433 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.895 4.527 -25.707 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.348 6.247 -25.673 1.00 0.00 H new ATOM 205 N PHE A 14 6.788 6.980 -23.530 1.00 0.00 N ATOM 206 CA PHE A 14 6.165 8.306 -23.411 1.00 0.00 C ATOM 207 C PHE A 14 5.652 8.569 -21.984 1.00 0.00 C ATOM 208 O PHE A 14 5.919 9.620 -21.402 1.00 0.00 O ATOM 209 CB PHE A 14 5.030 8.421 -24.436 1.00 0.00 C ATOM 210 CG PHE A 14 4.735 9.850 -24.850 1.00 0.00 C ATOM 211 CD1 PHE A 14 3.904 10.667 -24.057 1.00 0.00 C ATOM 212 CD2 PHE A 14 5.309 10.374 -26.025 1.00 0.00 C ATOM 213 CE1 PHE A 14 3.647 11.996 -24.441 1.00 0.00 C ATOM 214 CE2 PHE A 14 5.050 11.702 -26.409 1.00 0.00 C ATOM 215 CZ PHE A 14 4.218 12.514 -25.617 1.00 0.00 C ATOM 0 H PHE A 14 6.227 6.308 -24.054 1.00 0.00 H new ATOM 0 HA PHE A 14 6.918 9.067 -23.617 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.290 7.840 -25.321 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.126 7.978 -24.018 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.464 10.272 -23.153 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.950 9.754 -26.633 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.010 12.620 -23.831 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.490 12.098 -27.312 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.018 13.534 -25.912 1.00 0.00 H new ATOM 225 N LEU A 15 4.952 7.586 -21.401 1.00 0.00 N ATOM 226 CA LEU A 15 4.530 7.573 -19.995 1.00 0.00 C ATOM 227 C LEU A 15 5.740 7.520 -19.052 1.00 0.00 C ATOM 228 O LEU A 15 5.718 8.140 -17.994 1.00 0.00 O ATOM 229 CB LEU A 15 3.576 6.381 -19.782 1.00 0.00 C ATOM 230 CG LEU A 15 3.129 6.179 -18.322 1.00 0.00 C ATOM 231 CD1 LEU A 15 2.236 7.325 -17.827 1.00 0.00 C ATOM 232 CD2 LEU A 15 2.379 4.847 -18.189 1.00 0.00 C ATOM 0 H LEU A 15 4.655 6.754 -21.911 1.00 0.00 H new ATOM 0 HA LEU A 15 4.002 8.497 -19.758 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.692 6.523 -20.404 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.067 5.472 -20.128 1.00 0.00 H new ATOM 0 HG LEU A 15 4.026 6.168 -17.703 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.945 7.139 -16.793 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.784 8.265 -17.887 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.343 7.385 -18.449 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.065 4.708 -17.155 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.502 4.857 -18.837 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.037 4.028 -18.481 1.00 0.00 H new ATOM 244 N ASP A 16 6.817 6.839 -19.440 1.00 0.00 N ATOM 245 CA ASP A 16 8.072 6.753 -18.680 1.00 0.00 C ATOM 246 C ASP A 16 8.676 8.138 -18.373 1.00 0.00 C ATOM 247 O ASP A 16 9.269 8.336 -17.309 1.00 0.00 O ATOM 248 CB ASP A 16 9.075 5.901 -19.474 1.00 0.00 C ATOM 249 CG ASP A 16 10.100 5.233 -18.546 1.00 0.00 C ATOM 250 OD1 ASP A 16 9.722 4.278 -17.827 1.00 0.00 O ATOM 251 OD2 ASP A 16 11.281 5.655 -18.547 1.00 0.00 O ATOM 0 H ASP A 16 6.846 6.316 -20.315 1.00 0.00 H new ATOM 0 HA ASP A 16 7.853 6.289 -17.718 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.540 5.137 -20.038 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.593 6.528 -20.200 1.00 0.00 H new ATOM 256 N THR A 17 8.449 9.106 -19.274 1.00 0.00 N ATOM 257 CA THR A 17 8.835 10.520 -19.110 1.00 0.00 C ATOM 258 C THR A 17 7.981 11.206 -18.049 1.00 0.00 C ATOM 259 O THR A 17 8.456 12.102 -17.362 1.00 0.00 O ATOM 260 CB THR A 17 8.719 11.271 -20.448 1.00 0.00 C ATOM 261 OG1 THR A 17 9.452 10.590 -21.446 1.00 0.00 O ATOM 262 CG2 THR A 17 9.245 12.708 -20.382 1.00 0.00 C ATOM 0 H THR A 17 7.980 8.924 -20.161 1.00 0.00 H new ATOM 0 HA THR A 17 9.874 10.544 -18.780 1.00 0.00 H new ATOM 0 HB THR A 17 7.655 11.307 -20.682 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.373 11.072 -22.296 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.134 13.181 -21.358 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.678 13.269 -19.640 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.298 12.697 -20.101 1.00 0.00 H new ATOM 270 N ILE A 18 6.733 10.772 -17.872 1.00 0.00 N ATOM 271 CA ILE A 18 5.817 11.279 -16.838 1.00 0.00 C ATOM 272 C ILE A 18 6.156 10.658 -15.480 1.00 0.00 C ATOM 273 O ILE A 18 6.187 11.359 -14.474 1.00 0.00 O ATOM 274 CB ILE A 18 4.343 11.014 -17.231 1.00 0.00 C ATOM 275 CG1 ILE A 18 4.045 11.270 -18.727 1.00 0.00 C ATOM 276 CG2 ILE A 18 3.396 11.838 -16.342 1.00 0.00 C ATOM 277 CD1 ILE A 18 4.393 12.667 -19.253 1.00 0.00 C ATOM 0 H ILE A 18 6.318 10.044 -18.453 1.00 0.00 H new ATOM 0 HA ILE A 18 5.944 12.359 -16.756 1.00 0.00 H new ATOM 0 HB ILE A 18 4.168 9.951 -17.066 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.592 10.535 -19.317 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.984 11.092 -18.901 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.363 11.641 -16.630 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.541 11.558 -15.299 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.611 12.899 -16.467 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.141 12.730 -20.312 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.826 13.416 -18.700 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.460 12.850 -19.122 1.00 0.00 H new ATOM 289 N ILE A 19 6.488 9.363 -15.452 1.00 0.00 N ATOM 290 CA ILE A 19 6.903 8.661 -14.226 1.00 0.00 C ATOM 291 C ILE A 19 8.156 9.303 -13.619 1.00 0.00 C ATOM 292 O ILE A 19 8.180 9.557 -12.415 1.00 0.00 O ATOM 293 CB ILE A 19 7.054 7.139 -14.473 1.00 0.00 C ATOM 294 CG1 ILE A 19 5.699 6.514 -14.888 1.00 0.00 C ATOM 295 CG2 ILE A 19 7.576 6.453 -13.193 1.00 0.00 C ATOM 296 CD1 ILE A 19 5.813 5.098 -15.468 1.00 0.00 C ATOM 0 H ILE A 19 6.477 8.768 -16.280 1.00 0.00 H new ATOM 0 HA ILE A 19 6.114 8.769 -13.482 1.00 0.00 H new ATOM 0 HB ILE A 19 7.767 6.988 -15.284 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.042 6.487 -14.019 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.224 7.160 -15.626 1.00 0.00 H new ATOM 0 HG21 ILE A 19 7.681 5.383 -13.371 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.545 6.873 -12.925 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.871 6.618 -12.378 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.821 4.733 -15.733 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.442 5.119 -16.358 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.257 4.435 -14.725 1.00 0.00 H new ATOM 308 N ARG A 20 9.170 9.641 -14.427 1.00 0.00 N ATOM 309 CA ARG A 20 10.400 10.241 -13.891 1.00 0.00 C ATOM 310 C ARG A 20 10.206 11.653 -13.315 1.00 0.00 C ATOM 311 O ARG A 20 10.950 12.051 -12.417 1.00 0.00 O ATOM 312 CB ARG A 20 11.559 10.146 -14.887 1.00 0.00 C ATOM 313 CG ARG A 20 11.457 11.079 -16.100 1.00 0.00 C ATOM 314 CD ARG A 20 12.709 10.959 -16.982 1.00 0.00 C ATOM 315 NE ARG A 20 12.691 11.919 -18.102 1.00 0.00 N ATOM 316 CZ ARG A 20 13.008 13.211 -18.055 1.00 0.00 C ATOM 317 NH1 ARG A 20 13.355 13.814 -16.935 1.00 0.00 N ATOM 318 NH2 ARG A 20 12.987 13.929 -19.158 1.00 0.00 N ATOM 0 H ARG A 20 9.165 9.512 -15.439 1.00 0.00 H new ATOM 0 HA ARG A 20 10.678 9.637 -13.027 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.488 10.362 -14.360 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.627 9.118 -15.244 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.570 10.831 -16.683 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.340 12.109 -15.764 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.598 11.128 -16.374 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.780 9.945 -17.375 1.00 0.00 H new ATOM 0 HE ARG A 20 12.405 11.553 -19.010 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.388 13.288 -16.062 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.591 14.806 -16.942 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.729 13.495 -20.044 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.229 14.919 -19.127 1.00 0.00 H new ATOM 332 N LYS A 21 9.180 12.393 -13.756 1.00 0.00 N ATOM 333 CA LYS A 21 8.824 13.709 -13.205 1.00 0.00 C ATOM 334 C LYS A 21 8.270 13.595 -11.777 1.00 0.00 C ATOM 335 O LYS A 21 8.660 14.380 -10.910 1.00 0.00 O ATOM 336 CB LYS A 21 7.802 14.373 -14.142 1.00 0.00 C ATOM 337 CG LYS A 21 8.452 14.838 -15.455 1.00 0.00 C ATOM 338 CD LYS A 21 7.407 15.267 -16.495 1.00 0.00 C ATOM 339 CE LYS A 21 6.651 16.525 -16.039 1.00 0.00 C ATOM 340 NZ LYS A 21 5.774 17.074 -17.109 1.00 0.00 N ATOM 0 H LYS A 21 8.567 12.092 -14.514 1.00 0.00 H new ATOM 0 HA LYS A 21 9.721 14.324 -13.143 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.000 13.669 -14.363 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.348 15.226 -13.639 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.124 15.672 -15.251 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.060 14.031 -15.864 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.898 15.461 -17.449 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.699 14.454 -16.660 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.047 16.286 -15.164 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.368 17.287 -15.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.285 17.921 -16.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.352 17.327 -17.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.072 16.358 -17.384 1.00 0.00 H new ATOM 354 N PHE A 22 7.399 12.608 -11.514 1.00 0.00 N ATOM 355 CA PHE A 22 6.822 12.406 -10.180 1.00 0.00 C ATOM 356 C PHE A 22 7.682 11.527 -9.261 1.00 0.00 C ATOM 357 O PHE A 22 7.709 11.793 -8.061 1.00 0.00 O ATOM 358 CB PHE A 22 5.355 11.955 -10.273 1.00 0.00 C ATOM 359 CG PHE A 22 5.028 10.579 -10.827 1.00 0.00 C ATOM 360 CD1 PHE A 22 5.219 9.429 -10.035 1.00 0.00 C ATOM 361 CD2 PHE A 22 4.383 10.465 -12.074 1.00 0.00 C ATOM 362 CE1 PHE A 22 4.766 8.177 -10.486 1.00 0.00 C ATOM 363 CE2 PHE A 22 3.894 9.218 -12.506 1.00 0.00 C ATOM 364 CZ PHE A 22 4.089 8.073 -11.714 1.00 0.00 C ATOM 0 H PHE A 22 7.079 11.936 -12.212 1.00 0.00 H new ATOM 0 HA PHE A 22 6.823 13.377 -9.685 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.932 12.012 -9.270 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.827 12.687 -10.884 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.715 9.510 -9.079 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.263 11.337 -12.700 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.938 7.294 -9.889 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.369 9.141 -13.446 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.719 7.115 -12.048 1.00 0.00 H new ATOM 374 N GLU A 23 8.443 10.549 -9.775 1.00 0.00 N ATOM 375 CA GLU A 23 9.299 9.719 -8.903 1.00 0.00 C ATOM 376 C GLU A 23 10.512 10.512 -8.389 1.00 0.00 C ATOM 377 O GLU A 23 10.844 10.479 -7.200 1.00 0.00 O ATOM 378 CB GLU A 23 9.671 8.396 -9.592 1.00 0.00 C ATOM 379 CG GLU A 23 10.845 8.402 -10.582 1.00 0.00 C ATOM 380 CD GLU A 23 12.177 7.969 -9.941 1.00 0.00 C ATOM 381 OE1 GLU A 23 12.320 6.777 -9.580 1.00 0.00 O ATOM 382 OE2 GLU A 23 13.108 8.802 -9.836 1.00 0.00 O ATOM 0 H GLU A 23 8.487 10.314 -10.767 1.00 0.00 H new ATOM 0 HA GLU A 23 8.730 9.445 -8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.894 7.666 -8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.789 8.037 -10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.615 7.736 -11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.957 9.403 -10.998 1.00 0.00 H new ATOM 424 N ARG A 27 8.887 11.200 -3.687 1.00 0.00 N ATOM 425 CA ARG A 27 7.665 10.744 -3.010 1.00 0.00 C ATOM 426 C ARG A 27 7.784 9.284 -2.549 1.00 0.00 C ATOM 427 O ARG A 27 8.659 8.532 -2.979 1.00 0.00 O ATOM 428 CB ARG A 27 6.414 10.956 -3.887 1.00 0.00 C ATOM 429 CG ARG A 27 6.392 12.245 -4.734 1.00 0.00 C ATOM 430 CD ARG A 27 6.651 13.550 -3.968 1.00 0.00 C ATOM 431 NE ARG A 27 5.537 13.897 -3.069 1.00 0.00 N ATOM 432 CZ ARG A 27 5.529 14.874 -2.169 1.00 0.00 C ATOM 433 NH1 ARG A 27 6.594 15.605 -1.914 1.00 0.00 N ATOM 434 NH2 ARG A 27 4.421 15.126 -1.513 1.00 0.00 N ATOM 0 HA ARG A 27 7.545 11.359 -2.118 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.316 10.102 -4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.537 10.955 -3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.140 12.153 -5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.421 12.319 -5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.568 13.452 -3.387 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.809 14.361 -4.679 1.00 0.00 H new ATOM 0 HE ARG A 27 4.691 13.333 -3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.465 15.430 -2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.548 16.347 -1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.583 14.575 -1.697 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.398 15.873 -0.819 1.00 0.00 H new ATOM 448 N LYS A 28 6.873 8.858 -1.676 1.00 0.00 N ATOM 449 CA LYS A 28 6.897 7.526 -1.056 1.00 0.00 C ATOM 450 C LYS A 28 6.070 6.528 -1.886 1.00 0.00 C ATOM 451 O LYS A 28 4.896 6.773 -2.147 1.00 0.00 O ATOM 452 CB LYS A 28 6.387 7.633 0.398 1.00 0.00 C ATOM 453 CG LYS A 28 7.067 8.749 1.218 1.00 0.00 C ATOM 454 CD LYS A 28 6.147 9.974 1.395 1.00 0.00 C ATOM 455 CE LYS A 28 6.962 11.159 1.933 1.00 0.00 C ATOM 456 NZ LYS A 28 6.178 12.427 1.994 1.00 0.00 N ATOM 0 H LYS A 28 6.086 9.432 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 28 7.919 7.148 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.312 7.810 0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.546 6.679 0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.347 8.361 2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.988 9.055 0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.689 10.238 0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.336 9.736 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.329 10.917 2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.836 11.309 1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.780 13.190 2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.849 12.678 1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.358 12.298 2.620 1.00 0.00 H new ATOM 470 N PHE A 29 6.659 5.395 -2.282 1.00 0.00 N ATOM 471 CA PHE A 29 5.997 4.357 -3.081 1.00 0.00 C ATOM 472 C PHE A 29 6.667 2.982 -2.982 1.00 0.00 C ATOM 473 O PHE A 29 7.828 2.859 -2.591 1.00 0.00 O ATOM 474 CB PHE A 29 5.872 4.817 -4.549 1.00 0.00 C ATOM 475 CG PHE A 29 7.188 5.127 -5.242 1.00 0.00 C ATOM 476 CD1 PHE A 29 7.972 4.087 -5.779 1.00 0.00 C ATOM 477 CD2 PHE A 29 7.632 6.459 -5.351 1.00 0.00 C ATOM 478 CE1 PHE A 29 9.201 4.377 -6.399 1.00 0.00 C ATOM 479 CE2 PHE A 29 8.859 6.749 -5.974 1.00 0.00 C ATOM 480 CZ PHE A 29 9.646 5.706 -6.495 1.00 0.00 C ATOM 0 H PHE A 29 7.627 5.169 -2.052 1.00 0.00 H new ATOM 0 HA PHE A 29 5.001 4.223 -2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.356 4.041 -5.114 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.243 5.707 -4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.629 3.065 -5.715 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.028 7.261 -4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.804 3.576 -6.802 1.00 0.00 H new ATOM 0 HE2 PHE A 29 9.197 7.772 -6.052 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.591 5.927 -6.968 1.00 0.00 H new ATOM 490 N ILE A 30 5.917 1.949 -3.368 1.00 0.00 N ATOM 491 CA ILE A 30 6.303 0.529 -3.390 1.00 0.00 C ATOM 492 C ILE A 30 5.650 -0.172 -4.591 1.00 0.00 C ATOM 493 O ILE A 30 4.616 0.278 -5.081 1.00 0.00 O ATOM 494 CB ILE A 30 5.921 -0.162 -2.053 1.00 0.00 C ATOM 495 CG1 ILE A 30 4.390 -0.181 -1.823 1.00 0.00 C ATOM 496 CG2 ILE A 30 6.654 0.487 -0.867 1.00 0.00 C ATOM 497 CD1 ILE A 30 3.971 -0.644 -0.425 1.00 0.00 C ATOM 0 H ILE A 30 4.961 2.086 -3.696 1.00 0.00 H new ATOM 0 HA ILE A 30 7.385 0.455 -3.499 1.00 0.00 H new ATOM 0 HB ILE A 30 6.244 -1.200 -2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.996 0.820 -1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.931 -0.836 -2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.368 -0.016 0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.731 0.397 -1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.383 1.541 -0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.884 -0.628 -0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.332 -1.658 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.398 0.024 0.323 1.00 0.00 H new ATOM 509 N ILE A 31 6.229 -1.273 -5.071 1.00 0.00 N ATOM 510 CA ILE A 31 5.724 -2.068 -6.198 1.00 0.00 C ATOM 511 C ILE A 31 5.449 -3.496 -5.727 1.00 0.00 C ATOM 512 O ILE A 31 6.276 -4.100 -5.043 1.00 0.00 O ATOM 513 CB ILE A 31 6.710 -2.049 -7.392 1.00 0.00 C ATOM 514 CG1 ILE A 31 6.987 -0.605 -7.883 1.00 0.00 C ATOM 515 CG2 ILE A 31 6.138 -2.874 -8.567 1.00 0.00 C ATOM 516 CD1 ILE A 31 8.247 0.037 -7.288 1.00 0.00 C ATOM 0 H ILE A 31 7.090 -1.651 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 31 4.793 -1.625 -6.552 1.00 0.00 H new ATOM 0 HB ILE A 31 7.647 -2.485 -7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.078 -0.615 -8.969 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.127 0.019 -7.641 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.839 -2.854 -9.401 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.984 -3.905 -8.247 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.186 -2.446 -8.883 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.364 1.045 -7.685 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.154 0.083 -6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.119 -0.561 -7.552 1.00 0.00 H new ATOM 528 N ALA A 32 4.299 -4.042 -6.120 1.00 0.00 N ATOM 529 CA ALA A 32 3.815 -5.357 -5.714 1.00 0.00 C ATOM 530 C ALA A 32 3.318 -6.187 -6.903 1.00 0.00 C ATOM 531 O ALA A 32 2.872 -5.640 -7.912 1.00 0.00 O ATOM 532 CB ALA A 32 2.711 -5.121 -4.685 1.00 0.00 C ATOM 0 H ALA A 32 3.658 -3.563 -6.752 1.00 0.00 H new ATOM 0 HA ALA A 32 4.627 -5.941 -5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.315 -6.080 -4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.119 -4.578 -3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.910 -4.537 -5.138 1.00 0.00 H new ATOM 538 N ASN A 33 3.375 -7.514 -6.779 1.00 0.00 N ATOM 539 CA ASN A 33 2.928 -8.457 -7.798 1.00 0.00 C ATOM 540 C ASN A 33 1.390 -8.591 -7.854 1.00 0.00 C ATOM 541 O ASN A 33 0.742 -9.036 -6.909 1.00 0.00 O ATOM 542 CB ASN A 33 3.687 -9.788 -7.619 1.00 0.00 C ATOM 543 CG ASN A 33 3.679 -10.429 -6.229 1.00 0.00 C ATOM 544 OD1 ASN A 33 3.036 -9.980 -5.292 1.00 0.00 O ATOM 545 ND2 ASN A 33 4.412 -11.514 -6.059 1.00 0.00 N ATOM 0 H ASN A 33 3.743 -7.971 -5.945 1.00 0.00 H new ATOM 0 HA ASN A 33 3.178 -8.072 -8.787 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.271 -10.509 -8.323 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.725 -9.624 -7.907 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.440 -11.973 -5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.951 -11.893 -6.838 1.00 0.00 H new ATOM 552 N ALA A 34 0.785 -8.254 -9.000 1.00 0.00 N ATOM 553 CA ALA A 34 -0.672 -8.351 -9.211 1.00 0.00 C ATOM 554 C ALA A 34 -1.177 -9.804 -9.371 1.00 0.00 C ATOM 555 O ALA A 34 -2.368 -10.073 -9.225 1.00 0.00 O ATOM 556 CB ALA A 34 -1.036 -7.520 -10.449 1.00 0.00 C ATOM 0 H ALA A 34 1.292 -7.904 -9.813 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.165 -7.965 -8.319 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.110 -7.578 -10.623 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.750 -6.481 -10.286 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.506 -7.910 -11.318 1.00 0.00 H new ATOM 562 N ARG A 35 -0.266 -10.745 -9.657 1.00 0.00 N ATOM 563 CA ARG A 35 -0.560 -12.129 -10.077 1.00 0.00 C ATOM 564 C ARG A 35 -0.779 -13.126 -8.917 1.00 0.00 C ATOM 565 O ARG A 35 -0.881 -14.329 -9.163 1.00 0.00 O ATOM 566 CB ARG A 35 0.572 -12.623 -11.005 1.00 0.00 C ATOM 567 CG ARG A 35 0.895 -11.646 -12.155 1.00 0.00 C ATOM 568 CD ARG A 35 1.868 -12.235 -13.187 1.00 0.00 C ATOM 569 NE ARG A 35 3.104 -12.775 -12.581 1.00 0.00 N ATOM 570 CZ ARG A 35 4.141 -12.111 -12.079 1.00 0.00 C ATOM 571 NH1 ARG A 35 4.170 -10.796 -11.972 1.00 0.00 N ATOM 572 NH2 ARG A 35 5.190 -12.785 -11.662 1.00 0.00 N ATOM 0 H ARG A 35 0.735 -10.559 -9.601 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.515 -12.096 -10.602 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.472 -12.785 -10.412 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.290 -13.588 -11.427 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.031 -11.365 -12.656 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.323 -10.733 -11.740 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.365 -13.029 -13.739 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.133 -11.463 -13.909 1.00 0.00 H new ATOM 0 HE ARG A 35 3.170 -13.792 -12.543 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.372 -10.241 -12.282 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.990 -10.334 -11.579 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.201 -13.803 -11.726 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.993 -12.290 -11.274 1.00 0.00 H new ATOM 586 N VAL A 36 -0.804 -12.659 -7.662 1.00 0.00 N ATOM 587 CA VAL A 36 -0.862 -13.487 -6.435 1.00 0.00 C ATOM 588 C VAL A 36 -1.912 -12.947 -5.452 1.00 0.00 C ATOM 589 O VAL A 36 -2.262 -11.768 -5.505 1.00 0.00 O ATOM 590 CB VAL A 36 0.522 -13.608 -5.744 1.00 0.00 C ATOM 591 CG1 VAL A 36 1.619 -14.094 -6.706 1.00 0.00 C ATOM 592 CG2 VAL A 36 0.968 -12.309 -5.061 1.00 0.00 C ATOM 0 H VAL A 36 -0.784 -11.660 -7.458 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.160 -14.489 -6.744 1.00 0.00 H new ATOM 0 HB VAL A 36 0.383 -14.362 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.567 -14.161 -6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.352 -15.076 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.717 -13.390 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.943 -12.458 -4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.038 -11.513 -5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.241 -12.031 -4.298 1.00 0.00 H new ATOM 602 N GLU A 37 -2.389 -13.801 -4.539 1.00 0.00 N ATOM 603 CA GLU A 37 -3.498 -13.493 -3.621 1.00 0.00 C ATOM 604 C GLU A 37 -3.195 -12.328 -2.661 1.00 0.00 C ATOM 605 O GLU A 37 -4.055 -11.481 -2.414 1.00 0.00 O ATOM 606 CB GLU A 37 -3.834 -14.772 -2.834 1.00 0.00 C ATOM 607 CG GLU A 37 -5.091 -14.643 -1.966 1.00 0.00 C ATOM 608 CD GLU A 37 -5.449 -15.989 -1.318 1.00 0.00 C ATOM 609 OE1 GLU A 37 -4.924 -16.301 -0.221 1.00 0.00 O ATOM 610 OE2 GLU A 37 -6.261 -16.749 -1.899 1.00 0.00 O ATOM 0 H GLU A 37 -2.012 -14.740 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.349 -13.163 -4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.969 -15.596 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.988 -15.031 -2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.928 -13.894 -1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.925 -14.295 -2.576 1.00 0.00 H new ATOM 617 N ASN A 38 -1.968 -12.269 -2.126 1.00 0.00 N ATOM 618 CA ASN A 38 -1.581 -11.292 -1.097 1.00 0.00 C ATOM 619 C ASN A 38 -1.113 -9.932 -1.657 1.00 0.00 C ATOM 620 O ASN A 38 -0.978 -8.982 -0.888 1.00 0.00 O ATOM 621 CB ASN A 38 -0.471 -11.916 -0.231 1.00 0.00 C ATOM 622 CG ASN A 38 -0.948 -13.142 0.548 1.00 0.00 C ATOM 623 OD1 ASN A 38 -1.929 -13.097 1.283 1.00 0.00 O ATOM 624 ND2 ASN A 38 -0.271 -14.270 0.412 1.00 0.00 N ATOM 0 H ASN A 38 -1.213 -12.899 -2.395 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.473 -11.071 -0.511 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.366 -12.199 -0.869 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.099 -11.168 0.469 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.564 -15.105 0.919 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.544 -14.305 -0.200 1.00 0.00 H new ATOM 631 N CYS A 39 -0.812 -9.845 -2.964 1.00 0.00 N ATOM 632 CA CYS A 39 -0.066 -8.744 -3.607 1.00 0.00 C ATOM 633 C CYS A 39 1.135 -8.279 -2.761 1.00 0.00 C ATOM 634 O CYS A 39 1.127 -7.200 -2.165 1.00 0.00 O ATOM 635 CB CYS A 39 -1.032 -7.612 -3.988 1.00 0.00 C ATOM 636 SG CYS A 39 -2.144 -8.180 -5.307 1.00 0.00 S ATOM 0 H CYS A 39 -1.091 -10.566 -3.629 1.00 0.00 H new ATOM 0 HA CYS A 39 0.379 -9.112 -4.531 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.611 -7.306 -3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.472 -6.739 -4.322 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.151 -9.480 -5.339 1.00 0.00 H new ATOM 642 N ALA A 40 2.154 -9.134 -2.665 1.00 0.00 N ATOM 643 CA ALA A 40 3.341 -8.902 -1.850 1.00 0.00 C ATOM 644 C ALA A 40 4.265 -7.839 -2.476 1.00 0.00 C ATOM 645 O ALA A 40 4.428 -7.804 -3.695 1.00 0.00 O ATOM 646 CB ALA A 40 4.058 -10.245 -1.652 1.00 0.00 C ATOM 0 H ALA A 40 2.175 -10.024 -3.163 1.00 0.00 H new ATOM 0 HA ALA A 40 3.048 -8.502 -0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.950 -10.095 -1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.390 -10.944 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.344 -10.651 -2.622 1.00 0.00 H new ATOM 652 N VAL A 41 4.900 -6.998 -1.653 1.00 0.00 N ATOM 653 CA VAL A 41 5.882 -6.005 -2.130 1.00 0.00 C ATOM 654 C VAL A 41 7.109 -6.728 -2.692 1.00 0.00 C ATOM 655 O VAL A 41 7.750 -7.511 -1.989 1.00 0.00 O ATOM 656 CB VAL A 41 6.314 -4.978 -1.053 1.00 0.00 C ATOM 657 CG1 VAL A 41 7.191 -3.884 -1.664 1.00 0.00 C ATOM 658 CG2 VAL A 41 5.081 -4.304 -0.425 1.00 0.00 C ATOM 0 H VAL A 41 4.753 -6.982 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 41 5.385 -5.427 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 41 6.875 -5.521 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.482 -3.175 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.084 -4.334 -2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.633 -3.362 -2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.403 -3.586 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.515 -3.787 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.450 -5.061 0.041 1.00 0.00 H new ATOM 668 N ILE A 42 7.418 -6.451 -3.961 1.00 0.00 N ATOM 669 CA ILE A 42 8.595 -6.961 -4.690 1.00 0.00 C ATOM 670 C ILE A 42 9.691 -5.900 -4.849 1.00 0.00 C ATOM 671 O ILE A 42 10.829 -6.241 -5.178 1.00 0.00 O ATOM 672 CB ILE A 42 8.192 -7.520 -6.076 1.00 0.00 C ATOM 673 CG1 ILE A 42 7.500 -6.472 -6.979 1.00 0.00 C ATOM 674 CG2 ILE A 42 7.316 -8.768 -5.892 1.00 0.00 C ATOM 675 CD1 ILE A 42 7.274 -6.945 -8.418 1.00 0.00 C ATOM 0 H ILE A 42 6.836 -5.842 -4.536 1.00 0.00 H new ATOM 0 HA ILE A 42 9.006 -7.770 -4.086 1.00 0.00 H new ATOM 0 HB ILE A 42 9.109 -7.794 -6.598 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.539 -6.206 -6.539 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.105 -5.565 -6.996 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.033 -9.161 -6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.874 -9.527 -5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.418 -8.503 -5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.785 -6.155 -8.988 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.233 -7.183 -8.878 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.643 -7.834 -8.414 1.00 0.00 H new ATOM 687 N TYR A 43 9.358 -4.627 -4.612 1.00 0.00 N ATOM 688 CA TYR A 43 10.293 -3.504 -4.655 1.00 0.00 C ATOM 689 C TYR A 43 9.777 -2.314 -3.832 1.00 0.00 C ATOM 690 O TYR A 43 8.585 -2.022 -3.832 1.00 0.00 O ATOM 691 CB TYR A 43 10.543 -3.098 -6.115 1.00 0.00 C ATOM 692 CG TYR A 43 11.861 -2.375 -6.310 1.00 0.00 C ATOM 693 CD1 TYR A 43 13.039 -3.114 -6.535 1.00 0.00 C ATOM 694 CD2 TYR A 43 11.925 -0.971 -6.213 1.00 0.00 C ATOM 695 CE1 TYR A 43 14.277 -2.456 -6.666 1.00 0.00 C ATOM 696 CE2 TYR A 43 13.159 -0.306 -6.339 1.00 0.00 C ATOM 697 CZ TYR A 43 14.341 -1.047 -6.567 1.00 0.00 C ATOM 698 OH TYR A 43 15.536 -0.400 -6.671 1.00 0.00 O ATOM 0 H TYR A 43 8.406 -4.345 -4.379 1.00 0.00 H new ATOM 0 HA TYR A 43 11.236 -3.818 -4.208 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.527 -3.989 -6.742 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.729 -2.456 -6.453 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.992 -4.191 -6.607 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.023 -0.402 -6.041 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.177 -3.027 -6.842 1.00 0.00 H new ATOM 0 HE2 TYR A 43 13.203 0.770 -6.261 1.00 0.00 H new ATOM 0 HH TYR A 43 15.394 0.565 -6.580 1.00 0.00 H new ATOM 708 N CYS A 44 10.669 -1.598 -3.149 1.00 0.00 N ATOM 709 CA CYS A 44 10.325 -0.456 -2.286 1.00 0.00 C ATOM 710 C CYS A 44 11.197 0.778 -2.583 1.00 0.00 C ATOM 711 O CYS A 44 12.349 0.606 -2.981 1.00 0.00 O ATOM 712 CB CYS A 44 10.478 -0.852 -0.803 1.00 0.00 C ATOM 713 SG CYS A 44 10.046 -2.570 -0.398 1.00 0.00 S ATOM 0 H CYS A 44 11.670 -1.794 -3.177 1.00 0.00 H new ATOM 0 HA CYS A 44 9.289 -0.190 -2.496 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.511 -0.676 -0.504 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.855 -0.189 -0.203 1.00 0.00 H new ATOM 0 HG CYS A 44 10.772 -3.380 -1.110 1.00 0.00 H new ATOM 719 N ASN A 45 10.708 1.996 -2.320 1.00 0.00 N ATOM 720 CA ASN A 45 11.582 3.189 -2.282 1.00 0.00 C ATOM 721 C ASN A 45 12.372 3.274 -0.946 1.00 0.00 C ATOM 722 O ASN A 45 12.349 2.342 -0.144 1.00 0.00 O ATOM 723 CB ASN A 45 10.750 4.463 -2.570 1.00 0.00 C ATOM 724 CG ASN A 45 11.581 5.635 -3.113 1.00 0.00 C ATOM 725 OD1 ASN A 45 12.788 5.548 -3.296 1.00 0.00 O ATOM 726 ND2 ASN A 45 10.985 6.789 -3.345 1.00 0.00 N ATOM 0 H ASN A 45 9.724 2.187 -2.131 1.00 0.00 H new ATOM 0 HA ASN A 45 12.333 3.103 -3.067 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.968 4.220 -3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.253 4.777 -1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.529 7.588 -3.671 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.980 6.882 -3.199 1.00 0.00 H new ATOM 733 N ASP A 46 13.028 4.407 -0.672 1.00 0.00 N ATOM 734 CA ASP A 46 13.635 4.743 0.628 1.00 0.00 C ATOM 735 C ASP A 46 12.809 5.768 1.431 1.00 0.00 C ATOM 736 O ASP A 46 12.929 5.829 2.655 1.00 0.00 O ATOM 737 CB ASP A 46 15.045 5.302 0.403 1.00 0.00 C ATOM 738 CG ASP A 46 16.011 4.249 -0.162 1.00 0.00 C ATOM 739 OD1 ASP A 46 16.487 3.388 0.619 1.00 0.00 O ATOM 740 OD2 ASP A 46 16.316 4.298 -1.378 1.00 0.00 O ATOM 0 H ASP A 46 13.157 5.141 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 46 13.667 3.823 1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.992 6.147 -0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.437 5.681 1.347 1.00 0.00 H new ATOM 745 N GLY A 47 11.948 6.559 0.770 1.00 0.00 N ATOM 746 CA GLY A 47 11.153 7.608 1.419 1.00 0.00 C ATOM 747 C GLY A 47 10.027 7.038 2.279 1.00 0.00 C ATOM 748 O GLY A 47 9.718 7.576 3.340 1.00 0.00 O ATOM 0 H GLY A 47 11.785 6.486 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.805 8.222 2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.729 8.262 0.657 1.00 0.00 H new ATOM 752 N PHE A 48 9.436 5.919 1.836 1.00 0.00 N ATOM 753 CA PHE A 48 8.357 5.236 2.554 1.00 0.00 C ATOM 754 C PHE A 48 8.857 4.590 3.867 1.00 0.00 C ATOM 755 O PHE A 48 8.110 4.561 4.841 1.00 0.00 O ATOM 756 CB PHE A 48 7.653 4.242 1.602 1.00 0.00 C ATOM 757 CG PHE A 48 8.122 2.820 1.735 1.00 0.00 C ATOM 758 CD1 PHE A 48 9.423 2.449 1.362 1.00 0.00 C ATOM 759 CD2 PHE A 48 7.281 1.902 2.379 1.00 0.00 C ATOM 760 CE1 PHE A 48 9.909 1.185 1.730 1.00 0.00 C ATOM 761 CE2 PHE A 48 7.758 0.634 2.710 1.00 0.00 C ATOM 762 CZ PHE A 48 9.080 0.273 2.404 1.00 0.00 C ATOM 0 H PHE A 48 9.697 5.461 0.963 1.00 0.00 H new ATOM 0 HA PHE A 48 7.613 5.967 2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.580 4.277 1.788 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.809 4.569 0.574 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.044 3.129 0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.264 2.176 2.619 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.927 0.912 1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.108 -0.073 3.204 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.457 -0.699 2.685 1.00 0.00 H new ATOM 772 N CYS A 49 10.125 4.146 3.933 1.00 0.00 N ATOM 773 CA CYS A 49 10.764 3.577 5.131 1.00 0.00 C ATOM 774 C CYS A 49 10.585 4.481 6.362 1.00 0.00 C ATOM 775 O CYS A 49 10.032 4.062 7.378 1.00 0.00 O ATOM 776 CB CYS A 49 12.262 3.351 4.844 1.00 0.00 C ATOM 777 SG CYS A 49 12.516 2.221 3.450 1.00 0.00 S ATOM 0 H CYS A 49 10.752 4.175 3.129 1.00 0.00 H new ATOM 0 HA CYS A 49 10.281 2.627 5.360 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.739 4.307 4.629 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.746 2.946 5.733 1.00 0.00 H new ATOM 0 HG CYS A 49 11.407 2.100 2.782 1.00 0.00 H new ATOM 783 N GLU A 50 11.001 5.744 6.237 1.00 0.00 N ATOM 784 CA GLU A 50 10.944 6.743 7.315 1.00 0.00 C ATOM 785 C GLU A 50 9.511 7.190 7.657 1.00 0.00 C ATOM 786 O GLU A 50 9.274 7.728 8.741 1.00 0.00 O ATOM 787 CB GLU A 50 11.783 7.971 6.921 1.00 0.00 C ATOM 788 CG GLU A 50 13.264 7.630 6.724 1.00 0.00 C ATOM 789 CD GLU A 50 14.108 8.905 6.578 1.00 0.00 C ATOM 790 OE1 GLU A 50 14.204 9.453 5.454 1.00 0.00 O ATOM 791 OE2 GLU A 50 14.689 9.370 7.589 1.00 0.00 O ATOM 0 H GLU A 50 11.394 6.110 5.370 1.00 0.00 H new ATOM 0 HA GLU A 50 11.348 6.266 8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.386 8.398 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.689 8.735 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.623 7.047 7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.383 7.008 5.837 1.00 0.00 H new ATOM 798 N LEU A 51 8.553 6.962 6.749 1.00 0.00 N ATOM 799 CA LEU A 51 7.146 7.348 6.900 1.00 0.00 C ATOM 800 C LEU A 51 6.475 6.616 8.068 1.00 0.00 C ATOM 801 O LEU A 51 5.803 7.248 8.882 1.00 0.00 O ATOM 802 CB LEU A 51 6.419 7.073 5.562 1.00 0.00 C ATOM 803 CG LEU A 51 5.187 7.955 5.297 1.00 0.00 C ATOM 804 CD1 LEU A 51 5.633 9.414 5.131 1.00 0.00 C ATOM 805 CD2 LEU A 51 4.464 7.462 4.038 1.00 0.00 C ATOM 0 H LEU A 51 8.742 6.491 5.864 1.00 0.00 H new ATOM 0 HA LEU A 51 7.086 8.410 7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.128 7.211 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.110 6.028 5.542 1.00 0.00 H new ATOM 0 HG LEU A 51 4.497 7.893 6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.762 10.042 4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.131 9.748 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.323 9.490 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.591 8.088 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.140 7.518 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.146 6.429 4.182 1.00 0.00 H new ATOM 817 N CYS A 52 6.685 5.297 8.158 1.00 0.00 N ATOM 818 CA CYS A 52 6.148 4.439 9.232 1.00 0.00 C ATOM 819 C CYS A 52 7.221 3.901 10.204 1.00 0.00 C ATOM 820 O CYS A 52 6.879 3.455 11.299 1.00 0.00 O ATOM 821 CB CYS A 52 5.344 3.297 8.592 1.00 0.00 C ATOM 822 SG CYS A 52 3.949 3.984 7.651 1.00 0.00 S ATOM 0 H CYS A 52 7.243 4.783 7.476 1.00 0.00 H new ATOM 0 HA CYS A 52 5.501 5.056 9.855 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.986 2.711 7.934 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.977 2.621 9.364 1.00 0.00 H new ATOM 0 HG CYS A 52 3.535 3.106 6.786 1.00 0.00 H new ATOM 828 N GLY A 53 8.506 3.955 9.839 1.00 0.00 N ATOM 829 CA GLY A 53 9.653 3.584 10.684 1.00 0.00 C ATOM 830 C GLY A 53 10.201 2.176 10.425 1.00 0.00 C ATOM 831 O GLY A 53 11.150 1.762 11.089 1.00 0.00 O ATOM 0 H GLY A 53 8.790 4.270 8.911 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.454 4.307 10.527 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.357 3.659 11.730 1.00 0.00 H new ATOM 835 N TYR A 54 9.608 1.432 9.486 1.00 0.00 N ATOM 836 CA TYR A 54 10.114 0.145 8.993 1.00 0.00 C ATOM 837 C TYR A 54 11.208 0.322 7.905 1.00 0.00 C ATOM 838 O TYR A 54 11.831 1.378 7.800 1.00 0.00 O ATOM 839 CB TYR A 54 8.904 -0.716 8.570 1.00 0.00 C ATOM 840 CG TYR A 54 7.876 -0.142 7.605 1.00 0.00 C ATOM 841 CD1 TYR A 54 8.185 0.883 6.686 1.00 0.00 C ATOM 842 CD2 TYR A 54 6.567 -0.663 7.637 1.00 0.00 C ATOM 843 CE1 TYR A 54 7.186 1.407 5.845 1.00 0.00 C ATOM 844 CE2 TYR A 54 5.571 -0.163 6.779 1.00 0.00 C ATOM 845 CZ TYR A 54 5.873 0.886 5.887 1.00 0.00 C ATOM 846 OH TYR A 54 4.901 1.396 5.084 1.00 0.00 O ATOM 0 H TYR A 54 8.738 1.716 9.035 1.00 0.00 H new ATOM 0 HA TYR A 54 10.639 -0.391 9.784 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.294 -1.631 8.125 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.374 -1.004 9.478 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.193 1.267 6.628 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.326 -1.456 8.329 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.424 2.211 5.164 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.576 -0.582 6.804 1.00 0.00 H new ATOM 0 HH TYR A 54 4.135 0.785 5.069 1.00 0.00 H new ATOM 856 N SER A 55 11.434 -0.688 7.056 1.00 0.00 N ATOM 857 CA SER A 55 12.382 -0.630 5.929 1.00 0.00 C ATOM 858 C SER A 55 12.111 -1.745 4.908 1.00 0.00 C ATOM 859 O SER A 55 11.357 -2.683 5.193 1.00 0.00 O ATOM 860 CB SER A 55 13.832 -0.706 6.442 1.00 0.00 C ATOM 861 OG SER A 55 14.754 -0.371 5.413 1.00 0.00 O ATOM 0 H SER A 55 10.956 -1.586 7.132 1.00 0.00 H new ATOM 0 HA SER A 55 12.239 0.324 5.422 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.960 -0.027 7.285 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.040 -1.711 6.808 1.00 0.00 H new ATOM 0 HG SER A 55 15.668 -0.424 5.763 1.00 0.00 H new ATOM 867 N ARG A 56 12.772 -1.687 3.744 1.00 0.00 N ATOM 868 CA ARG A 56 12.702 -2.700 2.676 1.00 0.00 C ATOM 869 C ARG A 56 12.873 -4.119 3.236 1.00 0.00 C ATOM 870 O ARG A 56 12.008 -4.953 3.019 1.00 0.00 O ATOM 871 CB ARG A 56 13.735 -2.384 1.570 1.00 0.00 C ATOM 872 CG ARG A 56 13.739 -3.453 0.457 1.00 0.00 C ATOM 873 CD ARG A 56 14.779 -3.221 -0.643 1.00 0.00 C ATOM 874 NE ARG A 56 14.399 -2.144 -1.576 1.00 0.00 N ATOM 875 CZ ARG A 56 15.209 -1.643 -2.511 1.00 0.00 C ATOM 876 NH1 ARG A 56 16.417 -2.124 -2.721 1.00 0.00 N ATOM 877 NH2 ARG A 56 14.826 -0.641 -3.270 1.00 0.00 N ATOM 0 H ARG A 56 13.390 -0.910 3.510 1.00 0.00 H new ATOM 0 HA ARG A 56 11.710 -2.661 2.227 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.513 -1.409 1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.729 -2.317 2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.918 -4.429 0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.749 -3.489 0.002 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.737 -2.976 -0.184 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.921 -4.146 -1.202 1.00 0.00 H new ATOM 0 HE ARG A 56 13.458 -1.758 -1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.760 -2.904 -2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 56 17.010 -1.717 -3.444 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.898 -0.235 -3.149 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.457 -0.269 -3.980 1.00 0.00 H new ATOM 891 N ALA A 57 13.910 -4.384 4.032 1.00 0.00 N ATOM 892 CA ALA A 57 14.167 -5.702 4.639 1.00 0.00 C ATOM 893 C ALA A 57 12.984 -6.267 5.466 1.00 0.00 C ATOM 894 O ALA A 57 12.845 -7.485 5.587 1.00 0.00 O ATOM 895 CB ALA A 57 15.434 -5.580 5.495 1.00 0.00 C ATOM 0 H ALA A 57 14.608 -3.683 4.280 1.00 0.00 H new ATOM 0 HA ALA A 57 14.299 -6.424 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.653 -6.541 5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 57 16.272 -5.283 4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 57 15.279 -4.829 6.270 1.00 0.00 H new ATOM 901 N GLU A 58 12.123 -5.390 5.996 1.00 0.00 N ATOM 902 CA GLU A 58 10.932 -5.739 6.786 1.00 0.00 C ATOM 903 C GLU A 58 9.656 -5.781 5.928 1.00 0.00 C ATOM 904 O GLU A 58 8.803 -6.642 6.146 1.00 0.00 O ATOM 905 CB GLU A 58 10.725 -4.700 7.902 1.00 0.00 C ATOM 906 CG GLU A 58 11.997 -4.342 8.677 1.00 0.00 C ATOM 907 CD GLU A 58 12.606 -5.550 9.408 1.00 0.00 C ATOM 908 OE1 GLU A 58 11.950 -6.107 10.321 1.00 0.00 O ATOM 909 OE2 GLU A 58 13.756 -5.938 9.093 1.00 0.00 O ATOM 0 H GLU A 58 12.239 -4.383 5.884 1.00 0.00 H new ATOM 0 HA GLU A 58 11.105 -6.732 7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.313 -3.791 7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.982 -5.081 8.603 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.734 -3.930 7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.768 -3.561 9.402 1.00 0.00 H new ATOM 916 N VAL A 59 9.521 -4.848 4.975 1.00 0.00 N ATOM 917 CA VAL A 59 8.346 -4.676 4.095 1.00 0.00 C ATOM 918 C VAL A 59 8.391 -5.626 2.882 1.00 0.00 C ATOM 919 O VAL A 59 7.358 -5.924 2.283 1.00 0.00 O ATOM 920 CB VAL A 59 8.198 -3.184 3.679 1.00 0.00 C ATOM 921 CG1 VAL A 59 7.096 -2.985 2.622 1.00 0.00 C ATOM 922 CG2 VAL A 59 7.884 -2.360 4.940 1.00 0.00 C ATOM 0 H VAL A 59 10.253 -4.164 4.785 1.00 0.00 H new ATOM 0 HA VAL A 59 7.454 -4.953 4.657 1.00 0.00 H new ATOM 0 HB VAL A 59 9.132 -2.851 3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.028 -1.929 2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.338 -3.564 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.141 -3.322 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.776 -1.309 4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.956 -2.717 5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.697 -2.469 5.658 1.00 0.00 H new ATOM 932 N MET A 60 9.561 -6.173 2.534 1.00 0.00 N ATOM 933 CA MET A 60 9.680 -7.190 1.483 1.00 0.00 C ATOM 934 C MET A 60 8.969 -8.471 1.929 1.00 0.00 C ATOM 935 O MET A 60 9.131 -8.908 3.069 1.00 0.00 O ATOM 936 CB MET A 60 11.153 -7.449 1.134 1.00 0.00 C ATOM 937 CG MET A 60 11.704 -6.317 0.255 1.00 0.00 C ATOM 938 SD MET A 60 11.117 -6.274 -1.462 1.00 0.00 S ATOM 939 CE MET A 60 11.975 -7.726 -2.123 1.00 0.00 C ATOM 0 H MET A 60 10.449 -5.925 2.971 1.00 0.00 H new ATOM 0 HA MET A 60 9.198 -6.827 0.575 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.741 -7.527 2.048 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.247 -8.401 0.612 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.455 -5.366 0.726 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.791 -6.391 0.243 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.870 -7.748 -3.208 1.00 0.00 H new ATOM 0 HE2 MET A 60 13.032 -7.674 -1.862 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.540 -8.630 -1.698 1.00 0.00 H new ATOM 949 N GLN A 61 8.144 -9.028 1.034 1.00 0.00 N ATOM 950 CA GLN A 61 7.273 -10.198 1.263 1.00 0.00 C ATOM 951 C GLN A 61 6.035 -9.907 2.143 1.00 0.00 C ATOM 952 O GLN A 61 5.284 -10.825 2.478 1.00 0.00 O ATOM 953 CB GLN A 61 8.079 -11.422 1.743 1.00 0.00 C ATOM 954 CG GLN A 61 9.221 -11.780 0.774 1.00 0.00 C ATOM 955 CD GLN A 61 9.583 -13.262 0.857 1.00 0.00 C ATOM 956 OE1 GLN A 61 10.563 -13.669 1.472 1.00 0.00 O ATOM 957 NE2 GLN A 61 8.789 -14.125 0.254 1.00 0.00 N ATOM 0 H GLN A 61 8.058 -8.662 0.086 1.00 0.00 H new ATOM 0 HA GLN A 61 6.854 -10.449 0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.493 -11.218 2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.411 -12.277 1.847 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.925 -11.533 -0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.099 -11.177 1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.972 -13.794 -0.259 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.992 -15.124 0.301 1.00 0.00 H new ATOM 966 N ARG A 62 5.779 -8.633 2.469 1.00 0.00 N ATOM 967 CA ARG A 62 4.536 -8.160 3.113 1.00 0.00 C ATOM 968 C ARG A 62 3.496 -7.775 2.052 1.00 0.00 C ATOM 969 O ARG A 62 3.896 -7.390 0.946 1.00 0.00 O ATOM 970 CB ARG A 62 4.795 -6.938 4.018 1.00 0.00 C ATOM 971 CG ARG A 62 5.739 -7.209 5.190 1.00 0.00 C ATOM 972 CD ARG A 62 5.154 -8.135 6.259 1.00 0.00 C ATOM 973 NE ARG A 62 6.167 -8.410 7.291 1.00 0.00 N ATOM 974 CZ ARG A 62 5.993 -9.099 8.414 1.00 0.00 C ATOM 975 NH1 ARG A 62 4.837 -9.645 8.731 1.00 0.00 N ATOM 976 NH2 ARG A 62 7.001 -9.249 9.246 1.00 0.00 N ATOM 0 H ARG A 62 6.444 -7.881 2.290 1.00 0.00 H new ATOM 0 HA ARG A 62 4.160 -8.980 3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.210 -6.133 3.411 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.842 -6.583 4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.660 -7.649 4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.008 -6.260 5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.277 -7.673 6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.824 -9.068 5.803 1.00 0.00 H new ATOM 0 HE ARG A 62 7.100 -8.032 7.127 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.038 -9.546 8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.741 -10.167 9.602 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.908 -8.838 9.027 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.875 -9.776 10.110 1.00 0.00 H new ATOM 990 N PRO A 63 2.187 -7.826 2.370 1.00 0.00 N ATOM 991 CA PRO A 63 1.129 -7.383 1.466 1.00 0.00 C ATOM 992 C PRO A 63 1.153 -5.855 1.329 1.00 0.00 C ATOM 993 O PRO A 63 1.247 -5.138 2.325 1.00 0.00 O ATOM 994 CB PRO A 63 -0.171 -7.899 2.091 1.00 0.00 C ATOM 995 CG PRO A 63 0.134 -7.947 3.587 1.00 0.00 C ATOM 996 CD PRO A 63 1.620 -8.293 3.633 1.00 0.00 C ATOM 0 HA PRO A 63 1.246 -7.767 0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.009 -7.236 1.875 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.436 -8.883 1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.071 -6.992 4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.470 -8.698 4.096 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.106 -7.809 4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.766 -9.367 3.752 1.00 0.00 H new ATOM 1004 N CYS A 64 1.051 -5.346 0.096 1.00 0.00 N ATOM 1005 CA CYS A 64 1.124 -3.905 -0.203 1.00 0.00 C ATOM 1006 C CYS A 64 -0.085 -3.079 0.283 1.00 0.00 C ATOM 1007 O CYS A 64 -0.067 -1.848 0.196 1.00 0.00 O ATOM 1008 CB CYS A 64 1.360 -3.725 -1.706 1.00 0.00 C ATOM 1009 SG CYS A 64 -0.094 -4.263 -2.655 1.00 0.00 S ATOM 0 H CYS A 64 0.914 -5.925 -0.732 1.00 0.00 H new ATOM 0 HA CYS A 64 1.961 -3.504 0.368 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.575 -2.678 -1.922 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.234 -4.300 -2.013 1.00 0.00 H new ATOM 0 HG CYS A 64 0.131 -4.098 -3.925 1.00 0.00 H new ATOM 1015 N THR A 65 -1.110 -3.751 0.825 1.00 0.00 N ATOM 1016 CA THR A 65 -2.200 -3.141 1.600 1.00 0.00 C ATOM 1017 C THR A 65 -1.674 -2.467 2.867 1.00 0.00 C ATOM 1018 O THR A 65 -2.276 -1.490 3.318 1.00 0.00 O ATOM 1019 CB THR A 65 -3.234 -4.199 1.999 1.00 0.00 C ATOM 1020 OG1 THR A 65 -2.567 -5.221 2.709 1.00 0.00 O ATOM 1021 CG2 THR A 65 -3.928 -4.830 0.791 1.00 0.00 C ATOM 0 H THR A 65 -1.207 -4.762 0.734 1.00 0.00 H new ATOM 0 HA THR A 65 -2.665 -2.388 0.963 1.00 0.00 H new ATOM 0 HB THR A 65 -3.998 -3.708 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.212 -5.909 2.976 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.650 -5.572 1.133 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.444 -4.056 0.223 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.185 -5.312 0.155 1.00 0.00 H new ATOM 1029 N CYS A 66 -0.574 -2.989 3.433 1.00 0.00 N ATOM 1030 CA CYS A 66 0.023 -2.569 4.704 1.00 0.00 C ATOM 1031 C CYS A 66 -1.008 -2.510 5.852 1.00 0.00 C ATOM 1032 O CYS A 66 -0.962 -1.625 6.706 1.00 0.00 O ATOM 1033 CB CYS A 66 0.842 -1.284 4.500 1.00 0.00 C ATOM 1034 SG CYS A 66 2.237 -1.603 3.378 1.00 0.00 S ATOM 0 H CYS A 66 -0.055 -3.750 2.994 1.00 0.00 H new ATOM 0 HA CYS A 66 0.727 -3.332 5.037 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.206 -0.500 4.089 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.212 -0.923 5.460 1.00 0.00 H new ATOM 0 HG CYS A 66 2.919 -0.509 3.212 1.00 0.00 H new ATOM 1040 N ASP A 67 -1.938 -3.475 5.884 1.00 0.00 N ATOM 1041 CA ASP A 67 -3.035 -3.546 6.861 1.00 0.00 C ATOM 1042 C ASP A 67 -2.528 -3.575 8.311 1.00 0.00 C ATOM 1043 O ASP A 67 -3.176 -3.035 9.206 1.00 0.00 O ATOM 1044 CB ASP A 67 -3.882 -4.791 6.561 1.00 0.00 C ATOM 1045 CG ASP A 67 -5.060 -4.932 7.540 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -6.102 -4.269 7.322 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -4.942 -5.711 8.516 1.00 0.00 O ATOM 0 H ASP A 67 -1.949 -4.246 5.216 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.640 -2.644 6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.262 -4.734 5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.254 -5.680 6.618 1.00 0.00 H new ATOM 1052 N PHE A 68 -1.334 -4.136 8.536 1.00 0.00 N ATOM 1053 CA PHE A 68 -0.664 -4.176 9.834 1.00 0.00 C ATOM 1054 C PHE A 68 -0.382 -2.782 10.442 1.00 0.00 C ATOM 1055 O PHE A 68 -0.118 -2.689 11.642 1.00 0.00 O ATOM 1056 CB PHE A 68 0.618 -5.013 9.700 1.00 0.00 C ATOM 1057 CG PHE A 68 1.636 -4.476 8.710 1.00 0.00 C ATOM 1058 CD1 PHE A 68 2.539 -3.472 9.105 1.00 0.00 C ATOM 1059 CD2 PHE A 68 1.683 -4.975 7.392 1.00 0.00 C ATOM 1060 CE1 PHE A 68 3.473 -2.963 8.189 1.00 0.00 C ATOM 1061 CE2 PHE A 68 2.621 -4.463 6.476 1.00 0.00 C ATOM 1062 CZ PHE A 68 3.514 -3.453 6.873 1.00 0.00 C ATOM 0 H PHE A 68 -0.795 -4.587 7.797 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.345 -4.645 10.545 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.090 -5.086 10.680 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.343 -6.025 9.402 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.514 -3.092 10.116 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.998 -5.751 7.085 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.163 -2.191 8.497 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.655 -4.847 5.467 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.229 -3.055 6.169 1.00 0.00 H new ATOM 1072 N LEU A 69 -0.469 -1.700 9.649 1.00 0.00 N ATOM 1073 CA LEU A 69 -0.376 -0.311 10.119 1.00 0.00 C ATOM 1074 C LEU A 69 -1.663 0.210 10.793 1.00 0.00 C ATOM 1075 O LEU A 69 -1.655 1.340 11.278 1.00 0.00 O ATOM 1076 CB LEU A 69 0.016 0.610 8.944 1.00 0.00 C ATOM 1077 CG LEU A 69 1.370 0.302 8.274 1.00 0.00 C ATOM 1078 CD1 LEU A 69 1.555 1.238 7.074 1.00 0.00 C ATOM 1079 CD2 LEU A 69 2.547 0.478 9.245 1.00 0.00 C ATOM 0 H LEU A 69 -0.609 -1.771 8.641 1.00 0.00 H new ATOM 0 HA LEU A 69 0.394 -0.298 10.890 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.765 0.553 8.186 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.036 1.639 9.304 1.00 0.00 H new ATOM 0 HG LEU A 69 1.360 -0.740 7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.510 1.028 6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.747 1.079 6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.540 2.273 7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.480 0.251 8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.572 1.507 9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.425 -0.198 10.091 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.764 -0.550 10.823 1.00 0.00 N ATOM 1092 CA HIS A 70 -4.011 -0.118 11.461 1.00 0.00 C ATOM 1093 C HIS A 70 -3.928 0.028 13.000 1.00 0.00 C ATOM 1094 O HIS A 70 -3.105 -0.598 13.679 1.00 0.00 O ATOM 1095 CB HIS A 70 -5.171 -1.053 11.057 1.00 0.00 C ATOM 1096 CG HIS A 70 -5.267 -2.355 11.820 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -4.827 -3.588 11.399 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -5.896 -2.551 13.023 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -5.162 -4.498 12.328 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -5.821 -3.913 13.347 1.00 0.00 N ATOM 0 H HIS A 70 -2.815 -1.480 10.406 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.202 0.889 11.090 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.109 -0.511 11.182 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.074 -1.283 9.996 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -4.330 -3.779 10.529 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.369 -1.785 13.620 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.935 -5.552 12.267 1.00 0.00 H new ATOM 1108 N GLY A 71 -4.860 0.816 13.549 1.00 0.00 N ATOM 1109 CA GLY A 71 -5.153 0.946 14.980 1.00 0.00 C ATOM 1110 C GLY A 71 -6.596 1.414 15.229 1.00 0.00 C ATOM 1111 O GLY A 71 -7.424 1.328 14.316 1.00 0.00 O ATOM 0 H GLY A 71 -5.460 1.410 12.977 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.992 -0.013 15.472 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.458 1.655 15.430 1.00 0.00 H new ATOM 1115 N PRO A 72 -6.929 1.920 16.433 1.00 0.00 N ATOM 1116 CA PRO A 72 -8.297 2.309 16.792 1.00 0.00 C ATOM 1117 C PRO A 72 -8.868 3.503 16.000 1.00 0.00 C ATOM 1118 O PRO A 72 -10.081 3.705 16.037 1.00 0.00 O ATOM 1119 CB PRO A 72 -8.266 2.572 18.304 1.00 0.00 C ATOM 1120 CG PRO A 72 -6.802 2.879 18.606 1.00 0.00 C ATOM 1121 CD PRO A 72 -6.058 2.005 17.599 1.00 0.00 C ATOM 0 HA PRO A 72 -8.984 1.506 16.524 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.911 3.408 18.575 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.614 1.705 18.865 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.574 3.936 18.470 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.539 2.626 19.633 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.095 2.442 17.337 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.858 1.016 18.011 1.00 0.00 H new ATOM 1129 N ARG A 73 -8.044 4.278 15.269 1.00 0.00 N ATOM 1130 CA ARG A 73 -8.507 5.354 14.366 1.00 0.00 C ATOM 1131 C ARG A 73 -8.612 4.922 12.886 1.00 0.00 C ATOM 1132 O ARG A 73 -8.928 5.760 12.037 1.00 0.00 O ATOM 1133 CB ARG A 73 -7.623 6.617 14.518 1.00 0.00 C ATOM 1134 CG ARG A 73 -7.919 7.427 15.794 1.00 0.00 C ATOM 1135 CD ARG A 73 -7.228 6.881 17.047 1.00 0.00 C ATOM 1136 NE ARG A 73 -7.682 7.567 18.271 1.00 0.00 N ATOM 1137 CZ ARG A 73 -8.774 7.298 18.982 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -9.660 6.396 18.608 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -8.992 7.949 20.104 1.00 0.00 N ATOM 0 H ARG A 73 -7.029 4.175 15.287 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.524 5.593 14.677 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.575 6.318 14.522 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.768 7.258 13.649 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.606 8.459 15.639 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.996 7.442 15.962 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.427 5.813 17.135 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.149 6.997 16.946 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.096 8.330 18.609 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.522 5.873 17.743 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.484 6.221 19.183 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.327 8.653 20.422 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.826 7.749 20.656 1.00 0.00 H new ATOM 1153 N THR A 74 -8.334 3.653 12.544 1.00 0.00 N ATOM 1154 CA THR A 74 -8.351 3.142 11.155 1.00 0.00 C ATOM 1155 C THR A 74 -9.754 2.670 10.774 1.00 0.00 C ATOM 1156 O THR A 74 -10.351 1.853 11.474 1.00 0.00 O ATOM 1157 CB THR A 74 -7.315 2.027 10.972 1.00 0.00 C ATOM 1158 OG1 THR A 74 -6.083 2.475 11.484 1.00 0.00 O ATOM 1159 CG2 THR A 74 -7.108 1.689 9.499 1.00 0.00 C ATOM 0 H THR A 74 -8.087 2.940 13.231 1.00 0.00 H new ATOM 0 HA THR A 74 -8.079 3.956 10.483 1.00 0.00 H new ATOM 0 HB THR A 74 -7.676 1.139 11.492 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.580 2.929 10.776 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.367 0.895 9.409 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.051 1.356 9.066 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.758 2.574 8.968 1.00 0.00 H new ATOM 1167 N GLN A 75 -10.275 3.167 9.649 1.00 0.00 N ATOM 1168 CA GLN A 75 -11.622 2.842 9.161 1.00 0.00 C ATOM 1169 C GLN A 75 -11.570 1.565 8.314 1.00 0.00 C ATOM 1170 O GLN A 75 -10.826 1.480 7.335 1.00 0.00 O ATOM 1171 CB GLN A 75 -12.203 4.032 8.361 1.00 0.00 C ATOM 1172 CG GLN A 75 -12.861 5.114 9.243 1.00 0.00 C ATOM 1173 CD GLN A 75 -11.959 5.628 10.368 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -12.131 5.295 11.535 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -10.937 6.403 10.066 1.00 0.00 N ATOM 0 H GLN A 75 -9.770 3.814 9.043 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.283 2.661 10.008 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.405 4.489 7.777 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.941 3.656 7.653 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.154 5.954 8.613 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.774 4.708 9.679 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.781 6.688 9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.301 6.718 10.799 1.00 0.00 H new ATOM 1184 N ARG A 76 -12.407 0.579 8.659 1.00 0.00 N ATOM 1185 CA ARG A 76 -12.421 -0.740 8.004 1.00 0.00 C ATOM 1186 C ARG A 76 -12.854 -0.636 6.531 1.00 0.00 C ATOM 1187 O ARG A 76 -12.318 -1.349 5.683 1.00 0.00 O ATOM 1188 CB ARG A 76 -13.316 -1.712 8.800 1.00 0.00 C ATOM 1189 CG ARG A 76 -12.652 -2.318 10.053 1.00 0.00 C ATOM 1190 CD ARG A 76 -12.164 -1.312 11.110 1.00 0.00 C ATOM 1191 NE ARG A 76 -11.775 -1.999 12.355 1.00 0.00 N ATOM 1192 CZ ARG A 76 -11.125 -1.479 13.390 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -10.662 -0.244 13.396 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -10.929 -2.215 14.463 1.00 0.00 N ATOM 0 H ARG A 76 -13.098 0.672 9.404 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.406 -1.137 8.000 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.221 -1.186 9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.625 -2.523 8.141 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.364 -2.995 10.526 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.802 -2.921 9.734 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.314 -0.752 10.719 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.952 -0.589 11.321 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.034 -2.983 12.430 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.797 0.355 12.582 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.169 0.112 14.215 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.275 -3.174 14.494 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.431 -1.826 15.264 1.00 0.00 H new ATOM 1208 N ARG A 77 -13.731 0.324 6.199 1.00 0.00 N ATOM 1209 CA ARG A 77 -14.118 0.662 4.815 1.00 0.00 C ATOM 1210 C ARG A 77 -12.909 1.071 3.963 1.00 0.00 C ATOM 1211 O ARG A 77 -12.765 0.604 2.838 1.00 0.00 O ATOM 1212 CB ARG A 77 -15.187 1.776 4.851 1.00 0.00 C ATOM 1213 CG ARG A 77 -15.813 2.122 3.484 1.00 0.00 C ATOM 1214 CD ARG A 77 -16.599 0.979 2.824 1.00 0.00 C ATOM 1215 NE ARG A 77 -17.785 0.599 3.616 1.00 0.00 N ATOM 1216 CZ ARG A 77 -18.585 -0.441 3.400 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -18.384 -1.286 2.409 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -19.616 -0.644 4.192 1.00 0.00 N ATOM 0 H ARG A 77 -14.202 0.900 6.897 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.536 -0.226 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.982 1.474 5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.737 2.678 5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.479 2.975 3.612 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -15.019 2.436 2.806 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -16.911 1.283 1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -15.949 0.112 2.705 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.015 1.196 4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.594 -1.153 1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -19.018 -2.073 2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.798 -0.005 4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -20.233 -1.440 4.032 1.00 0.00 H new ATOM 1232 N ALA A 78 -11.995 1.882 4.498 1.00 0.00 N ATOM 1233 CA ALA A 78 -10.777 2.297 3.791 1.00 0.00 C ATOM 1234 C ALA A 78 -9.767 1.146 3.642 1.00 0.00 C ATOM 1235 O ALA A 78 -9.249 0.918 2.549 1.00 0.00 O ATOM 1236 CB ALA A 78 -10.178 3.484 4.543 1.00 0.00 C ATOM 0 H ALA A 78 -12.077 2.272 5.437 1.00 0.00 H new ATOM 0 HA ALA A 78 -11.031 2.592 2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.270 3.814 4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.898 4.302 4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.938 3.185 5.563 1.00 0.00 H new ATOM 1242 N ALA A 79 -9.546 0.363 4.705 1.00 0.00 N ATOM 1243 CA ALA A 79 -8.697 -0.839 4.652 1.00 0.00 C ATOM 1244 C ALA A 79 -9.182 -1.844 3.586 1.00 0.00 C ATOM 1245 O ALA A 79 -8.377 -2.443 2.871 1.00 0.00 O ATOM 1246 CB ALA A 79 -8.669 -1.461 6.055 1.00 0.00 C ATOM 0 H ALA A 79 -9.948 0.542 5.625 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.687 -0.561 4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.046 -2.355 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.259 -0.742 6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.682 -1.729 6.355 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.505 -1.957 3.428 1.00 0.00 N ATOM 1253 CA ALA A 80 -11.163 -2.751 2.392 1.00 0.00 C ATOM 1254 C ALA A 80 -10.979 -2.143 1.004 1.00 0.00 C ATOM 1255 O ALA A 80 -10.601 -2.850 0.080 1.00 0.00 O ATOM 1256 CB ALA A 80 -12.655 -2.831 2.720 1.00 0.00 C ATOM 0 H ALA A 80 -11.167 -1.481 4.040 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.712 -3.743 2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.164 -3.420 1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.789 -3.304 3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.077 -1.826 2.744 1.00 0.00 H new ATOM 1262 N GLN A 81 -11.228 -0.841 0.851 1.00 0.00 N ATOM 1263 CA GLN A 81 -11.115 -0.138 -0.428 1.00 0.00 C ATOM 1264 C GLN A 81 -9.698 -0.254 -1.011 1.00 0.00 C ATOM 1265 O GLN A 81 -9.578 -0.472 -2.212 1.00 0.00 O ATOM 1266 CB GLN A 81 -11.552 1.325 -0.238 1.00 0.00 C ATOM 1267 CG GLN A 81 -13.072 1.504 -0.052 1.00 0.00 C ATOM 1268 CD GLN A 81 -13.745 2.083 -1.296 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -14.284 1.374 -2.137 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -13.716 3.390 -1.465 1.00 0.00 N ATOM 0 H GLN A 81 -11.517 -0.238 1.621 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.777 -0.604 -1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.039 1.737 0.631 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.231 1.905 -1.103 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.522 0.541 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.257 2.161 0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.268 3.985 -0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.141 3.807 -2.293 1.00 0.00 H new ATOM 1279 N ILE A 82 -8.628 -0.217 -0.197 1.00 0.00 N ATOM 1280 CA ILE A 82 -7.263 -0.524 -0.681 1.00 0.00 C ATOM 1281 C ILE A 82 -7.162 -1.960 -1.220 1.00 0.00 C ATOM 1282 O ILE A 82 -6.622 -2.162 -2.304 1.00 0.00 O ATOM 1283 CB ILE A 82 -6.213 -0.244 0.424 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -6.184 1.266 0.733 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -4.802 -0.697 -0.003 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -5.431 1.640 2.007 1.00 0.00 C ATOM 0 H ILE A 82 -8.677 0.021 0.794 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.046 0.139 -1.518 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.500 -0.811 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.728 1.787 -0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.209 1.627 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.094 -0.484 0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.809 -1.768 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.504 -0.159 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.462 2.721 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.898 1.152 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.394 1.315 1.925 1.00 0.00 H new ATOM 1298 N ALA A 83 -7.700 -2.957 -0.512 1.00 0.00 N ATOM 1299 CA ALA A 83 -7.668 -4.359 -0.946 1.00 0.00 C ATOM 1300 C ALA A 83 -8.554 -4.631 -2.182 1.00 0.00 C ATOM 1301 O ALA A 83 -8.190 -5.439 -3.036 1.00 0.00 O ATOM 1302 CB ALA A 83 -8.065 -5.238 0.247 1.00 0.00 C ATOM 0 H ALA A 83 -8.172 -2.815 0.381 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.656 -4.603 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.048 -6.286 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.360 -5.082 1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.069 -4.971 0.578 1.00 0.00 H new ATOM 1308 N GLN A 84 -9.691 -3.939 -2.311 1.00 0.00 N ATOM 1309 CA GLN A 84 -10.566 -4.003 -3.488 1.00 0.00 C ATOM 1310 C GLN A 84 -9.940 -3.293 -4.696 1.00 0.00 C ATOM 1311 O GLN A 84 -10.122 -3.745 -5.824 1.00 0.00 O ATOM 1312 CB GLN A 84 -11.942 -3.384 -3.172 1.00 0.00 C ATOM 1313 CG GLN A 84 -12.786 -4.154 -2.138 1.00 0.00 C ATOM 1314 CD GLN A 84 -13.125 -5.581 -2.571 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -13.882 -5.816 -3.506 1.00 0.00 O ATOM 1316 NE2 GLN A 84 -12.572 -6.589 -1.926 1.00 0.00 N ATOM 0 H GLN A 84 -10.036 -3.307 -1.588 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.695 -5.055 -3.743 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -11.790 -2.367 -2.809 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -12.511 -3.310 -4.099 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.245 -4.188 -1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.712 -3.608 -1.957 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.940 -6.410 -1.146 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.776 -7.548 -2.207 1.00 0.00 H new ATOM 1325 N ALA A 85 -9.150 -2.229 -4.493 1.00 0.00 N ATOM 1326 CA ALA A 85 -8.467 -1.534 -5.585 1.00 0.00 C ATOM 1327 C ALA A 85 -7.535 -2.475 -6.385 1.00 0.00 C ATOM 1328 O ALA A 85 -7.399 -2.336 -7.603 1.00 0.00 O ATOM 1329 CB ALA A 85 -7.706 -0.342 -5.010 1.00 0.00 C ATOM 0 H ALA A 85 -8.969 -1.831 -3.572 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.212 -1.179 -6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.192 0.184 -5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.406 0.336 -4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.975 -0.694 -4.282 1.00 0.00 H new ATOM 1335 N LEU A 86 -6.947 -3.473 -5.709 1.00 0.00 N ATOM 1336 CA LEU A 86 -6.059 -4.497 -6.280 1.00 0.00 C ATOM 1337 C LEU A 86 -6.780 -5.516 -7.187 1.00 0.00 C ATOM 1338 O LEU A 86 -6.116 -6.200 -7.965 1.00 0.00 O ATOM 1339 CB LEU A 86 -5.337 -5.241 -5.137 1.00 0.00 C ATOM 1340 CG LEU A 86 -4.552 -4.355 -4.147 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -4.035 -5.208 -2.981 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -3.378 -3.628 -4.812 1.00 0.00 C ATOM 0 H LEU A 86 -7.083 -3.594 -4.705 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.348 -3.971 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.077 -5.811 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.647 -5.961 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.241 -3.594 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.482 -4.577 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.878 -5.666 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.378 -5.988 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.860 -3.019 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.686 -4.360 -5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.752 -2.987 -5.611 1.00 0.00 H new ATOM 1354 N LEU A 87 -8.116 -5.621 -7.125 1.00 0.00 N ATOM 1355 CA LEU A 87 -8.922 -6.415 -8.072 1.00 0.00 C ATOM 1356 C LEU A 87 -9.671 -5.553 -9.109 1.00 0.00 C ATOM 1357 O LEU A 87 -10.335 -6.095 -9.995 1.00 0.00 O ATOM 1358 CB LEU A 87 -9.797 -7.434 -7.306 1.00 0.00 C ATOM 1359 CG LEU A 87 -10.861 -6.922 -6.314 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -12.026 -6.173 -6.982 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -11.431 -8.119 -5.539 1.00 0.00 C ATOM 0 H LEU A 87 -8.675 -5.154 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.246 -7.001 -8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.309 -8.048 -8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.126 -8.093 -6.755 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.360 -6.209 -5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.732 -5.844 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.641 -5.306 -7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.532 -6.837 -7.683 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.185 -7.770 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.885 -8.822 -6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.628 -8.616 -4.995 1.00 0.00 H new ATOM 1373 N GLY A 88 -9.541 -4.220 -9.030 1.00 0.00 N ATOM 1374 CA GLY A 88 -10.204 -3.259 -9.925 1.00 0.00 C ATOM 1375 C GLY A 88 -9.464 -2.993 -11.240 1.00 0.00 C ATOM 1376 O GLY A 88 -10.087 -2.512 -12.186 1.00 0.00 O ATOM 0 H GLY A 88 -8.958 -3.769 -8.325 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.204 -3.627 -10.155 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.326 -2.314 -9.395 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.152 -3.281 -11.305 1.00 0.00 N ATOM 1381 CA ALA A 89 -7.288 -3.108 -12.489 1.00 0.00 C ATOM 1382 C ALA A 89 -7.274 -1.656 -13.034 1.00 0.00 C ATOM 1383 O ALA A 89 -7.159 -1.430 -14.242 1.00 0.00 O ATOM 1384 CB ALA A 89 -7.659 -4.165 -13.546 1.00 0.00 C ATOM 0 H ALA A 89 -7.644 -3.655 -10.504 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.253 -3.276 -12.191 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.023 -4.041 -14.423 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.514 -5.162 -13.130 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.703 -4.041 -13.834 1.00 0.00 H new ATOM 1390 N GLU A 90 -7.417 -0.673 -12.139 1.00 0.00 N ATOM 1391 CA GLU A 90 -7.603 0.750 -12.448 1.00 0.00 C ATOM 1392 C GLU A 90 -6.901 1.644 -11.407 1.00 0.00 C ATOM 1393 O GLU A 90 -6.553 1.184 -10.316 1.00 0.00 O ATOM 1394 CB GLU A 90 -9.110 1.064 -12.548 1.00 0.00 C ATOM 1395 CG GLU A 90 -9.849 0.966 -11.201 1.00 0.00 C ATOM 1396 CD GLU A 90 -11.374 1.147 -11.301 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -11.910 1.511 -12.375 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -12.050 0.951 -10.262 1.00 0.00 O ATOM 0 H GLU A 90 -7.406 -0.855 -11.135 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.140 0.968 -13.411 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.238 2.069 -12.951 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.570 0.375 -13.257 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.639 -0.006 -10.754 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.449 1.721 -10.524 1.00 0.00 H new ATOM 1405 N GLU A 91 -6.700 2.927 -11.730 1.00 0.00 N ATOM 1406 CA GLU A 91 -6.154 3.907 -10.781 1.00 0.00 C ATOM 1407 C GLU A 91 -7.163 4.194 -9.656 1.00 0.00 C ATOM 1408 O GLU A 91 -8.323 4.526 -9.919 1.00 0.00 O ATOM 1409 CB GLU A 91 -5.773 5.216 -11.492 1.00 0.00 C ATOM 1410 CG GLU A 91 -4.561 5.061 -12.416 1.00 0.00 C ATOM 1411 CD GLU A 91 -4.264 6.381 -13.145 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -3.522 7.228 -12.595 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -4.769 6.578 -14.276 1.00 0.00 O ATOM 0 H GLU A 91 -6.909 3.314 -12.650 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.252 3.478 -10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.625 5.569 -12.074 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.559 5.980 -10.745 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.691 4.756 -11.835 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.750 4.272 -13.144 1.00 0.00 H new ATOM 1420 N ARG A 92 -6.704 4.091 -8.400 1.00 0.00 N ATOM 1421 CA ARG A 92 -7.509 4.321 -7.191 1.00 0.00 C ATOM 1422 C ARG A 92 -6.708 5.017 -6.102 1.00 0.00 C ATOM 1423 O ARG A 92 -5.615 4.574 -5.755 1.00 0.00 O ATOM 1424 CB ARG A 92 -8.020 2.983 -6.622 1.00 0.00 C ATOM 1425 CG ARG A 92 -9.220 2.381 -7.369 1.00 0.00 C ATOM 1426 CD ARG A 92 -10.470 3.266 -7.262 1.00 0.00 C ATOM 1427 NE ARG A 92 -11.626 2.623 -7.910 1.00 0.00 N ATOM 1428 CZ ARG A 92 -12.912 2.858 -7.698 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -13.354 3.699 -6.785 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -13.779 2.221 -8.449 1.00 0.00 N ATOM 0 H ARG A 92 -5.738 3.839 -8.192 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.343 4.958 -7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.202 2.262 -6.636 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.297 3.130 -5.578 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.962 2.245 -8.419 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.440 1.393 -6.964 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.696 3.458 -6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.277 4.232 -7.728 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.410 1.910 -8.607 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.693 4.208 -6.198 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.357 3.841 -6.665 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.453 1.572 -9.165 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.779 2.375 -8.317 1.00 0.00 H new ATOM 1444 N LYS A 93 -7.309 6.039 -5.494 1.00 0.00 N ATOM 1445 CA LYS A 93 -6.837 6.692 -4.269 1.00 0.00 C ATOM 1446 C LYS A 93 -7.799 6.384 -3.104 1.00 0.00 C ATOM 1447 O LYS A 93 -9.011 6.540 -3.249 1.00 0.00 O ATOM 1448 CB LYS A 93 -6.706 8.207 -4.502 1.00 0.00 C ATOM 1449 CG LYS A 93 -5.897 8.554 -5.767 1.00 0.00 C ATOM 1450 CD LYS A 93 -5.393 10.003 -5.778 1.00 0.00 C ATOM 1451 CE LYS A 93 -6.541 11.002 -5.574 1.00 0.00 C ATOM 1452 NZ LYS A 93 -6.088 12.413 -5.727 1.00 0.00 N ATOM 0 H LYS A 93 -8.170 6.452 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.853 6.304 -4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.701 8.644 -4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.227 8.662 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.045 7.878 -5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.518 8.385 -6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.650 10.136 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.895 10.209 -6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.333 10.796 -6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.969 10.864 -4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.894 13.054 -5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.350 12.619 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.703 12.552 -6.683 1.00 0.00 H new ATOM 1466 N VAL A 94 -7.268 5.941 -1.960 1.00 0.00 N ATOM 1467 CA VAL A 94 -8.033 5.610 -0.735 1.00 0.00 C ATOM 1468 C VAL A 94 -7.333 6.256 0.462 1.00 0.00 C ATOM 1469 O VAL A 94 -6.104 6.238 0.535 1.00 0.00 O ATOM 1470 CB VAL A 94 -8.199 4.076 -0.536 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -9.015 3.769 0.724 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -8.860 3.442 -1.757 1.00 0.00 C ATOM 0 H VAL A 94 -6.265 5.796 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.044 6.007 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.204 3.647 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.115 2.690 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.507 4.181 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.004 4.218 0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.967 2.369 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.844 3.886 -1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.242 3.618 -2.638 1.00 0.00 H new ATOM 1482 N GLU A 95 -8.106 6.854 1.372 1.00 0.00 N ATOM 1483 CA GLU A 95 -7.593 7.599 2.525 1.00 0.00 C ATOM 1484 C GLU A 95 -7.785 6.808 3.830 1.00 0.00 C ATOM 1485 O GLU A 95 -8.883 6.321 4.095 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.308 8.958 2.586 1.00 0.00 C ATOM 1487 CG GLU A 95 -7.709 9.901 3.632 1.00 0.00 C ATOM 1488 CD GLU A 95 -8.483 11.228 3.677 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -8.398 12.024 2.710 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -9.194 11.483 4.677 1.00 0.00 O ATOM 0 H GLU A 95 -9.125 6.834 1.327 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.521 7.757 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.259 9.433 1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.363 8.798 2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.734 9.427 4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.662 10.093 3.398 1.00 0.00 H new ATOM 1497 N ILE A 96 -6.739 6.677 4.656 1.00 0.00 N ATOM 1498 CA ILE A 96 -6.684 5.714 5.776 1.00 0.00 C ATOM 1499 C ILE A 96 -5.711 6.161 6.885 1.00 0.00 C ATOM 1500 O ILE A 96 -4.698 6.789 6.597 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.333 4.309 5.209 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -6.459 3.223 6.295 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -4.951 4.273 4.526 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -6.419 1.791 5.753 1.00 0.00 C ATOM 0 H ILE A 96 -5.894 7.241 4.569 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.661 5.669 6.256 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.064 4.091 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.652 3.350 7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.395 3.370 6.834 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.758 3.269 4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.936 4.981 3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.181 4.544 5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.513 1.086 6.579 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.242 1.643 5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.473 1.623 5.239 1.00 0.00 H new ATOM 1516 N ALA A 97 -5.992 5.853 8.158 1.00 0.00 N ATOM 1517 CA ALA A 97 -5.064 6.134 9.264 1.00 0.00 C ATOM 1518 C ALA A 97 -3.998 5.030 9.412 1.00 0.00 C ATOM 1519 O ALA A 97 -4.336 3.869 9.658 1.00 0.00 O ATOM 1520 CB ALA A 97 -5.849 6.357 10.566 1.00 0.00 C ATOM 0 H ALA A 97 -6.861 5.406 8.450 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.522 7.051 9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.153 6.564 11.379 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.526 7.203 10.443 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.426 5.462 10.801 1.00 0.00 H new ATOM 1526 N PHE A 98 -2.723 5.409 9.301 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.541 4.576 9.537 1.00 0.00 C ATOM 1528 C PHE A 98 -0.809 4.997 10.821 1.00 0.00 C ATOM 1529 O PHE A 98 -0.761 6.177 11.175 1.00 0.00 O ATOM 1530 CB PHE A 98 -0.587 4.696 8.335 1.00 0.00 C ATOM 1531 CG PHE A 98 -0.954 3.982 7.041 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -2.021 3.062 6.960 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -0.150 4.201 5.904 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -2.257 2.351 5.770 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -0.396 3.501 4.708 1.00 0.00 C ATOM 1536 CZ PHE A 98 -1.443 2.566 4.645 1.00 0.00 C ATOM 0 H PHE A 98 -2.473 6.360 9.028 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.866 3.542 9.657 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.472 5.756 8.108 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.390 4.330 8.650 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.660 2.903 7.816 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.662 4.912 5.951 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.066 1.638 5.721 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.220 3.682 3.839 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.622 2.014 3.734 1.00 0.00 H new ATOM 1546 N TYR A 99 -0.212 4.017 11.504 1.00 0.00 N ATOM 1547 CA TYR A 99 0.536 4.182 12.756 1.00 0.00 C ATOM 1548 C TYR A 99 2.050 3.950 12.561 1.00 0.00 C ATOM 1549 O TYR A 99 2.469 3.005 11.887 1.00 0.00 O ATOM 1550 CB TYR A 99 -0.033 3.223 13.815 1.00 0.00 C ATOM 1551 CG TYR A 99 -1.377 3.635 14.402 1.00 0.00 C ATOM 1552 CD1 TYR A 99 -2.547 3.648 13.612 1.00 0.00 C ATOM 1553 CD2 TYR A 99 -1.457 4.009 15.759 1.00 0.00 C ATOM 1554 CE1 TYR A 99 -3.779 4.048 14.160 1.00 0.00 C ATOM 1555 CE2 TYR A 99 -2.688 4.396 16.320 1.00 0.00 C ATOM 1556 CZ TYR A 99 -3.852 4.417 15.520 1.00 0.00 C ATOM 1557 OH TYR A 99 -5.047 4.767 16.066 1.00 0.00 O ATOM 0 H TYR A 99 -0.237 3.047 11.188 1.00 0.00 H new ATOM 0 HA TYR A 99 0.419 5.212 13.094 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.136 2.234 13.369 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.689 3.133 14.627 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.495 3.348 12.576 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.568 3.998 16.372 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.665 4.073 13.543 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.743 4.677 17.361 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.921 4.992 17.012 1.00 0.00 H new ATOM 1567 N ARG A 100 2.867 4.811 13.178 1.00 0.00 N ATOM 1568 CA ARG A 100 4.337 4.800 13.142 1.00 0.00 C ATOM 1569 C ARG A 100 4.918 3.989 14.315 1.00 0.00 C ATOM 1570 O ARG A 100 4.312 3.902 15.384 1.00 0.00 O ATOM 1571 CB ARG A 100 4.810 6.269 13.159 1.00 0.00 C ATOM 1572 CG ARG A 100 6.317 6.472 12.916 1.00 0.00 C ATOM 1573 CD ARG A 100 6.693 7.951 12.750 1.00 0.00 C ATOM 1574 NE ARG A 100 6.245 8.473 11.447 1.00 0.00 N ATOM 1575 CZ ARG A 100 6.107 9.743 11.088 1.00 0.00 C ATOM 1576 NH1 ARG A 100 6.386 10.743 11.897 1.00 0.00 N ATOM 1577 NH2 ARG A 100 5.678 10.007 9.874 1.00 0.00 N ATOM 0 H ARG A 100 2.503 5.576 13.747 1.00 0.00 H new ATOM 0 HA ARG A 100 4.695 4.309 12.237 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.257 6.821 12.399 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.551 6.707 14.123 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.876 6.050 13.751 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.615 5.923 12.023 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.243 8.535 13.553 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.773 8.066 12.839 1.00 0.00 H new ATOM 0 HE ARG A 100 6.014 7.777 10.738 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.723 10.556 12.841 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.265 11.705 11.579 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.460 9.244 9.233 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.563 10.975 9.573 1.00 0.00 H new ATOM 1591 N LYS A 101 6.138 3.459 14.158 1.00 0.00 N ATOM 1592 CA LYS A 101 6.880 2.732 15.213 1.00 0.00 C ATOM 1593 C LYS A 101 7.128 3.567 16.491 1.00 0.00 C ATOM 1594 O LYS A 101 7.252 3.011 17.583 1.00 0.00 O ATOM 1595 CB LYS A 101 8.228 2.225 14.650 1.00 0.00 C ATOM 1596 CG LYS A 101 8.221 0.754 14.217 1.00 0.00 C ATOM 1597 CD LYS A 101 7.675 0.555 12.796 1.00 0.00 C ATOM 1598 CE LYS A 101 7.599 -0.924 12.383 1.00 0.00 C ATOM 1599 NZ LYS A 101 8.893 -1.658 12.525 1.00 0.00 N ATOM 0 H LYS A 101 6.653 3.521 13.279 1.00 0.00 H new ATOM 0 HA LYS A 101 6.248 1.895 15.511 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.505 2.841 13.795 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.000 2.364 15.407 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.236 0.360 14.270 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.618 0.177 14.917 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.681 0.997 12.730 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.310 1.091 12.090 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.841 -1.422 12.988 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.269 -0.985 11.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.783 -2.628 12.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.631 -1.168 11.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.166 -1.689 13.528 1.00 0.00 H new ATOM 1613 N ASP A 102 7.164 4.899 16.364 1.00 0.00 N ATOM 1614 CA ASP A 102 7.307 5.856 17.473 1.00 0.00 C ATOM 1615 C ASP A 102 6.061 5.933 18.389 1.00 0.00 C ATOM 1616 O ASP A 102 6.118 6.534 19.464 1.00 0.00 O ATOM 1617 CB ASP A 102 7.637 7.230 16.866 1.00 0.00 C ATOM 1618 CG ASP A 102 8.064 8.267 17.921 1.00 0.00 C ATOM 1619 OD1 ASP A 102 9.108 8.054 18.583 1.00 0.00 O ATOM 1620 OD2 ASP A 102 7.380 9.310 18.056 1.00 0.00 O ATOM 0 H ASP A 102 7.092 5.358 15.456 1.00 0.00 H new ATOM 0 HA ASP A 102 8.111 5.513 18.124 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.436 7.115 16.133 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.764 7.603 16.330 1.00 0.00 H new ATOM 1625 N GLY A 103 4.939 5.325 17.976 1.00 0.00 N ATOM 1626 CA GLY A 103 3.659 5.319 18.700 1.00 0.00 C ATOM 1627 C GLY A 103 2.695 6.426 18.266 1.00 0.00 C ATOM 1628 O GLY A 103 1.624 6.568 18.855 1.00 0.00 O ATOM 0 H GLY A 103 4.896 4.806 17.099 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.176 4.353 18.555 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.856 5.420 19.767 1.00 0.00 H new ATOM 1632 N SER A 104 3.052 7.210 17.248 1.00 0.00 N ATOM 1633 CA SER A 104 2.201 8.251 16.652 1.00 0.00 C ATOM 1634 C SER A 104 1.377 7.714 15.462 1.00 0.00 C ATOM 1635 O SER A 104 1.597 6.594 14.988 1.00 0.00 O ATOM 1636 CB SER A 104 3.077 9.445 16.236 1.00 0.00 C ATOM 1637 OG SER A 104 4.114 9.063 15.338 1.00 0.00 O ATOM 0 H SER A 104 3.966 7.140 16.800 1.00 0.00 H new ATOM 0 HA SER A 104 1.479 8.579 17.400 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.453 10.205 15.766 1.00 0.00 H new ATOM 0 HB3 SER A 104 3.517 9.898 17.125 1.00 0.00 H new ATOM 0 HG SER A 104 4.645 9.851 15.098 1.00 0.00 H new ATOM 1643 N CYS A 105 0.427 8.507 14.951 1.00 0.00 N ATOM 1644 CA CYS A 105 -0.385 8.159 13.781 1.00 0.00 C ATOM 1645 C CYS A 105 -0.772 9.387 12.940 1.00 0.00 C ATOM 1646 O CYS A 105 -0.581 10.538 13.345 1.00 0.00 O ATOM 1647 CB CYS A 105 -1.600 7.324 14.229 1.00 0.00 C ATOM 1648 SG CYS A 105 -2.771 8.318 15.198 1.00 0.00 S ATOM 0 H CYS A 105 0.199 9.420 15.345 1.00 0.00 H new ATOM 0 HA CYS A 105 0.217 7.547 13.110 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.105 6.916 13.353 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.261 6.477 14.825 1.00 0.00 H new ATOM 0 HG CYS A 105 -3.779 7.578 15.553 1.00 0.00 H new ATOM 1654 N PHE A 106 -1.296 9.126 11.743 1.00 0.00 N ATOM 1655 CA PHE A 106 -1.599 10.130 10.724 1.00 0.00 C ATOM 1656 C PHE A 106 -2.522 9.550 9.650 1.00 0.00 C ATOM 1657 O PHE A 106 -2.533 8.344 9.404 1.00 0.00 O ATOM 1658 CB PHE A 106 -0.292 10.662 10.102 1.00 0.00 C ATOM 1659 CG PHE A 106 0.661 9.590 9.593 1.00 0.00 C ATOM 1660 CD1 PHE A 106 0.455 8.986 8.335 1.00 0.00 C ATOM 1661 CD2 PHE A 106 1.752 9.184 10.385 1.00 0.00 C ATOM 1662 CE1 PHE A 106 1.332 7.986 7.877 1.00 0.00 C ATOM 1663 CE2 PHE A 106 2.625 8.182 9.927 1.00 0.00 C ATOM 1664 CZ PHE A 106 2.415 7.582 8.675 1.00 0.00 C ATOM 0 H PHE A 106 -1.529 8.178 11.446 1.00 0.00 H new ATOM 0 HA PHE A 106 -2.121 10.963 11.196 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.545 11.325 9.274 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.228 11.265 10.846 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.379 9.292 7.721 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.919 9.644 11.348 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.173 7.529 6.912 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.459 7.873 10.539 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.086 6.811 8.326 1.00 0.00 H new ATOM 1674 N LEU A 107 -3.266 10.424 8.974 1.00 0.00 N ATOM 1675 CA LEU A 107 -3.983 10.068 7.750 1.00 0.00 C ATOM 1676 C LEU A 107 -3.014 10.004 6.569 1.00 0.00 C ATOM 1677 O LEU A 107 -2.360 10.991 6.223 1.00 0.00 O ATOM 1678 CB LEU A 107 -5.102 11.082 7.463 1.00 0.00 C ATOM 1679 CG LEU A 107 -6.502 10.755 8.023 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -7.004 9.359 7.632 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -6.532 10.900 9.541 1.00 0.00 C ATOM 0 H LEU A 107 -3.389 11.396 9.258 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.435 9.086 7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.794 12.048 7.862 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.187 11.196 6.382 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.177 11.481 7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.993 9.195 8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.060 9.284 6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.315 8.605 8.013 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.530 10.664 9.909 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.810 10.216 9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.278 11.924 9.814 1.00 0.00 H new ATOM 1693 N CYS A 108 -2.991 8.853 5.914 1.00 0.00 N ATOM 1694 CA CYS A 108 -2.279 8.586 4.676 1.00 0.00 C ATOM 1695 C CYS A 108 -3.268 8.491 3.501 1.00 0.00 C ATOM 1696 O CYS A 108 -4.309 7.835 3.597 1.00 0.00 O ATOM 1697 CB CYS A 108 -1.496 7.281 4.863 1.00 0.00 C ATOM 1698 SG CYS A 108 -0.327 7.092 3.488 1.00 0.00 S ATOM 0 H CYS A 108 -3.498 8.035 6.252 1.00 0.00 H new ATOM 0 HA CYS A 108 -1.588 9.396 4.442 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.961 7.296 5.813 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.180 6.433 4.895 1.00 0.00 H new ATOM 0 HG CYS A 108 -0.880 7.509 2.388 1.00 0.00 H new ATOM 1704 N LEU A 109 -2.931 9.115 2.375 1.00 0.00 N ATOM 1705 CA LEU A 109 -3.522 8.837 1.073 1.00 0.00 C ATOM 1706 C LEU A 109 -2.689 7.734 0.406 1.00 0.00 C ATOM 1707 O LEU A 109 -1.485 7.911 0.212 1.00 0.00 O ATOM 1708 CB LEU A 109 -3.541 10.134 0.234 1.00 0.00 C ATOM 1709 CG LEU A 109 -4.617 10.134 -0.873 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -6.044 10.179 -0.305 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -4.405 11.344 -1.793 1.00 0.00 C ATOM 0 H LEU A 109 -2.221 9.846 2.344 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.552 8.494 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.711 10.983 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.561 10.277 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.510 9.202 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -6.762 10.177 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.212 9.307 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.172 11.085 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.165 11.344 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.483 12.262 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.416 11.286 -2.248 1.00 0.00 H new ATOM 1723 N VAL A 110 -3.322 6.606 0.083 1.00 0.00 N ATOM 1724 CA VAL A 110 -2.716 5.485 -0.652 1.00 0.00 C ATOM 1725 C VAL A 110 -3.271 5.481 -2.074 1.00 0.00 C ATOM 1726 O VAL A 110 -4.478 5.303 -2.250 1.00 0.00 O ATOM 1727 CB VAL A 110 -3.003 4.125 0.023 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -2.341 2.988 -0.748 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -2.528 4.111 1.487 1.00 0.00 C ATOM 0 H VAL A 110 -4.297 6.438 0.330 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.635 5.621 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.083 3.979 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.556 2.040 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.730 2.964 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.263 3.146 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.746 3.140 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.454 4.294 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.048 4.890 2.046 1.00 0.00 H new ATOM 1739 N ASP A 111 -2.408 5.658 -3.077 1.00 0.00 N ATOM 1740 CA ASP A 111 -2.770 5.679 -4.486 1.00 0.00 C ATOM 1741 C ASP A 111 -2.193 4.427 -5.153 1.00 0.00 C ATOM 1742 O ASP A 111 -0.974 4.309 -5.258 1.00 0.00 O ATOM 1743 CB ASP A 111 -2.229 6.953 -5.162 1.00 0.00 C ATOM 1744 CG ASP A 111 -2.476 8.264 -4.391 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -3.460 8.358 -3.624 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -1.683 9.216 -4.599 1.00 0.00 O ATOM 0 H ASP A 111 -1.409 5.794 -2.921 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.855 5.684 -4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -1.156 6.836 -5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.682 7.041 -6.149 1.00 0.00 H new ATOM 1751 N VAL A 112 -3.041 3.501 -5.606 1.00 0.00 N ATOM 1752 CA VAL A 112 -2.594 2.395 -6.470 1.00 0.00 C ATOM 1753 C VAL A 112 -2.669 2.831 -7.922 1.00 0.00 C ATOM 1754 O VAL A 112 -3.706 3.298 -8.391 1.00 0.00 O ATOM 1755 CB VAL A 112 -3.304 1.047 -6.236 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -4.812 1.105 -6.135 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -2.929 -0.019 -7.274 1.00 0.00 C ATOM 0 H VAL A 112 -4.038 3.491 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.561 2.187 -6.193 1.00 0.00 H new ATOM 0 HB VAL A 112 -2.927 0.765 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -5.205 0.101 -5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -5.096 1.747 -5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -5.223 1.508 -7.060 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.462 -0.944 -7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.204 0.330 -8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.855 -0.201 -7.237 1.00 0.00 H new ATOM 1767 N VAL A 113 -1.551 2.645 -8.616 1.00 0.00 N ATOM 1768 CA VAL A 113 -1.401 2.893 -10.050 1.00 0.00 C ATOM 1769 C VAL A 113 -1.083 1.540 -10.709 1.00 0.00 C ATOM 1770 O VAL A 113 -0.064 0.937 -10.356 1.00 0.00 O ATOM 1771 CB VAL A 113 -0.297 3.949 -10.294 1.00 0.00 C ATOM 1772 CG1 VAL A 113 -0.048 4.159 -11.796 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -0.671 5.299 -9.656 1.00 0.00 C ATOM 0 H VAL A 113 -0.693 2.305 -8.182 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.312 3.301 -10.489 1.00 0.00 H new ATOM 0 HB VAL A 113 0.613 3.570 -9.830 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.733 4.907 -11.934 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.266 3.218 -12.248 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.967 4.501 -12.273 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.123 6.022 -9.843 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.602 5.662 -10.091 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.799 5.171 -8.581 1.00 0.00 H new ATOM 1783 N PRO A 114 -1.945 1.018 -11.604 1.00 0.00 N ATOM 1784 CA PRO A 114 -1.759 -0.292 -12.216 1.00 0.00 C ATOM 1785 C PRO A 114 -0.679 -0.226 -13.298 1.00 0.00 C ATOM 1786 O PRO A 114 -0.639 0.714 -14.091 1.00 0.00 O ATOM 1787 CB PRO A 114 -3.124 -0.673 -12.797 1.00 0.00 C ATOM 1788 CG PRO A 114 -3.736 0.679 -13.151 1.00 0.00 C ATOM 1789 CD PRO A 114 -3.207 1.597 -12.049 1.00 0.00 C ATOM 0 HA PRO A 114 -1.422 -1.039 -11.497 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.025 -1.313 -13.674 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -3.733 -1.215 -12.074 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.425 1.016 -14.140 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.825 0.640 -13.155 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.059 2.610 -12.424 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.917 1.663 -11.224 1.00 0.00 H new ATOM 1797 N VAL A 115 0.180 -1.247 -13.336 1.00 0.00 N ATOM 1798 CA VAL A 115 1.212 -1.414 -14.377 1.00 0.00 C ATOM 1799 C VAL A 115 0.867 -2.616 -15.257 1.00 0.00 C ATOM 1800 O VAL A 115 0.739 -3.737 -14.764 1.00 0.00 O ATOM 1801 CB VAL A 115 2.620 -1.570 -13.761 1.00 0.00 C ATOM 1802 CG1 VAL A 115 3.708 -1.807 -14.822 1.00 0.00 C ATOM 1803 CG2 VAL A 115 2.998 -0.330 -12.937 1.00 0.00 C ATOM 0 H VAL A 115 0.184 -1.992 -12.640 1.00 0.00 H new ATOM 0 HA VAL A 115 1.228 -0.514 -14.992 1.00 0.00 H new ATOM 0 HB VAL A 115 2.571 -2.449 -13.118 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.677 -1.909 -14.333 1.00 0.00 H new ATOM 0 HG12 VAL A 115 3.483 -2.718 -15.376 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.736 -0.962 -15.509 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.993 -0.464 -12.514 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.993 0.550 -13.580 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.276 -0.195 -12.131 1.00 0.00 H new ATOM 1813 N LYS A 116 0.751 -2.380 -16.567 1.00 0.00 N ATOM 1814 CA LYS A 116 0.564 -3.424 -17.581 1.00 0.00 C ATOM 1815 C LYS A 116 1.877 -3.879 -18.239 1.00 0.00 C ATOM 1816 O LYS A 116 2.860 -3.138 -18.301 1.00 0.00 O ATOM 1817 CB LYS A 116 -0.452 -2.974 -18.647 1.00 0.00 C ATOM 1818 CG LYS A 116 -1.866 -2.864 -18.065 1.00 0.00 C ATOM 1819 CD LYS A 116 -2.907 -2.531 -19.143 1.00 0.00 C ATOM 1820 CE LYS A 116 -4.270 -3.109 -18.729 1.00 0.00 C ATOM 1821 NZ LYS A 116 -5.314 -2.854 -19.761 1.00 0.00 N ATOM 0 H LYS A 116 0.785 -1.440 -16.961 1.00 0.00 H new ATOM 0 HA LYS A 116 0.169 -4.293 -17.054 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.149 -2.010 -19.055 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -0.452 -3.684 -19.474 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.133 -3.803 -17.581 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.882 -2.093 -17.295 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.981 -1.451 -19.272 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.599 -2.946 -20.103 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.175 -4.182 -18.565 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.580 -2.668 -17.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -6.219 -3.258 -19.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.422 -1.829 -19.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.030 -3.297 -20.658 1.00 0.00 H new ATOM 1835 N ASN A 117 1.870 -5.118 -18.743 1.00 0.00 N ATOM 1836 CA ASN A 117 2.993 -5.733 -19.454 1.00 0.00 C ATOM 1837 C ASN A 117 2.879 -5.545 -20.979 1.00 0.00 C ATOM 1838 O ASN A 117 1.961 -4.892 -21.478 1.00 0.00 O ATOM 1839 CB ASN A 117 3.126 -7.212 -19.027 1.00 0.00 C ATOM 1840 CG ASN A 117 2.173 -8.166 -19.736 1.00 0.00 C ATOM 1841 OD1 ASN A 117 2.558 -8.849 -20.671 1.00 0.00 O ATOM 1842 ND2 ASN A 117 0.907 -8.211 -19.364 1.00 0.00 N ATOM 0 H ASN A 117 1.062 -5.735 -18.665 1.00 0.00 H new ATOM 0 HA ASN A 117 3.916 -5.225 -19.175 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.149 -7.539 -19.211 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.957 -7.283 -17.953 1.00 0.00 H new ATOM 0 HD21 ASN A 117 0.251 -8.816 -19.858 1.00 0.00 H new ATOM 0 HD22 ASN A 117 0.584 -7.640 -18.582 1.00 0.00 H new ATOM 1849 N GLU A 118 3.788 -6.186 -21.712 1.00 0.00 N ATOM 1850 CA GLU A 118 3.848 -6.190 -23.184 1.00 0.00 C ATOM 1851 C GLU A 118 2.571 -6.726 -23.875 1.00 0.00 C ATOM 1852 O GLU A 118 2.304 -6.375 -25.025 1.00 0.00 O ATOM 1853 CB GLU A 118 5.086 -6.983 -23.645 1.00 0.00 C ATOM 1854 CG GLU A 118 5.127 -8.429 -23.125 1.00 0.00 C ATOM 1855 CD GLU A 118 6.257 -9.231 -23.786 1.00 0.00 C ATOM 1856 OE1 GLU A 118 6.090 -9.682 -24.946 1.00 0.00 O ATOM 1857 OE2 GLU A 118 7.314 -9.436 -23.143 1.00 0.00 O ATOM 0 H GLU A 118 4.533 -6.739 -21.288 1.00 0.00 H new ATOM 0 HA GLU A 118 3.924 -5.147 -23.492 1.00 0.00 H new ATOM 0 HB2 GLU A 118 5.111 -6.998 -24.735 1.00 0.00 H new ATOM 0 HB3 GLU A 118 5.984 -6.462 -23.313 1.00 0.00 H new ATOM 0 HG2 GLU A 118 5.266 -8.425 -22.044 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.171 -8.915 -23.321 1.00 0.00 H new ATOM 1864 N ASP A 119 1.765 -7.545 -23.186 1.00 0.00 N ATOM 1865 CA ASP A 119 0.519 -8.142 -23.697 1.00 0.00 C ATOM 1866 C ASP A 119 -0.738 -7.303 -23.367 1.00 0.00 C ATOM 1867 O ASP A 119 -1.843 -7.638 -23.798 1.00 0.00 O ATOM 1868 CB ASP A 119 0.406 -9.568 -23.126 1.00 0.00 C ATOM 1869 CG ASP A 119 -0.696 -10.404 -23.799 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -0.621 -10.625 -25.033 1.00 0.00 O ATOM 1871 OD2 ASP A 119 -1.612 -10.879 -23.084 1.00 0.00 O ATOM 0 H ASP A 119 1.967 -7.821 -22.225 1.00 0.00 H new ATOM 0 HA ASP A 119 0.566 -8.167 -24.786 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.363 -10.077 -23.244 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.206 -9.509 -22.056 1.00 0.00 H new ATOM 1876 N GLY A 120 -0.582 -6.215 -22.597 1.00 0.00 N ATOM 1877 CA GLY A 120 -1.677 -5.318 -22.202 1.00 0.00 C ATOM 1878 C GLY A 120 -2.522 -5.822 -21.026 1.00 0.00 C ATOM 1879 O GLY A 120 -3.657 -5.375 -20.869 1.00 0.00 O ATOM 0 H GLY A 120 0.324 -5.930 -22.226 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.257 -4.347 -21.941 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.330 -5.163 -23.061 1.00 0.00 H new ATOM 1883 N ALA A 121 -1.982 -6.719 -20.191 1.00 0.00 N ATOM 1884 CA ALA A 121 -2.607 -7.198 -18.949 1.00 0.00 C ATOM 1885 C ALA A 121 -1.877 -6.610 -17.734 1.00 0.00 C ATOM 1886 O ALA A 121 -0.672 -6.366 -17.813 1.00 0.00 O ATOM 1887 CB ALA A 121 -2.589 -8.737 -18.930 1.00 0.00 C ATOM 0 H ALA A 121 -1.072 -7.145 -20.365 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.645 -6.867 -18.903 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.052 -9.095 -18.010 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.144 -9.118 -19.787 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.559 -9.089 -18.979 1.00 0.00 H new ATOM 1893 N VAL A 122 -2.574 -6.393 -16.618 1.00 0.00 N ATOM 1894 CA VAL A 122 -1.976 -5.844 -15.379 1.00 0.00 C ATOM 1895 C VAL A 122 -1.195 -6.951 -14.665 1.00 0.00 C ATOM 1896 O VAL A 122 -1.745 -8.012 -14.376 1.00 0.00 O ATOM 1897 CB VAL A 122 -3.025 -5.213 -14.426 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -2.381 -4.652 -13.144 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -3.775 -4.059 -15.113 1.00 0.00 C ATOM 0 H VAL A 122 -3.572 -6.590 -16.538 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.305 -5.035 -15.667 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.714 -6.017 -14.166 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -3.154 -4.220 -12.508 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.877 -5.456 -12.608 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.656 -3.882 -13.408 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.504 -3.636 -14.422 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.064 -3.287 -15.408 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.290 -4.435 -15.997 1.00 0.00 H new ATOM 1909 N ILE A 123 0.087 -6.694 -14.377 1.00 0.00 N ATOM 1910 CA ILE A 123 0.999 -7.672 -13.731 1.00 0.00 C ATOM 1911 C ILE A 123 1.670 -7.150 -12.458 1.00 0.00 C ATOM 1912 O ILE A 123 2.032 -7.943 -11.590 1.00 0.00 O ATOM 1913 CB ILE A 123 2.036 -8.232 -14.735 1.00 0.00 C ATOM 1914 CG1 ILE A 123 3.238 -7.312 -15.055 1.00 0.00 C ATOM 1915 CG2 ILE A 123 1.355 -8.745 -16.014 1.00 0.00 C ATOM 1916 CD1 ILE A 123 2.956 -5.902 -15.583 1.00 0.00 C ATOM 0 H ILE A 123 0.532 -5.800 -14.583 1.00 0.00 H new ATOM 0 HA ILE A 123 0.362 -8.495 -13.406 1.00 0.00 H new ATOM 0 HB ILE A 123 2.489 -9.072 -14.208 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.832 -7.214 -14.146 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.861 -7.823 -15.789 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.110 -9.132 -16.698 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.655 -9.541 -15.759 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.816 -7.927 -16.493 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.899 -5.384 -15.758 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.399 -5.968 -16.518 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.369 -5.349 -14.849 1.00 0.00 H new ATOM 1928 N MET A 124 1.792 -5.830 -12.316 1.00 0.00 N ATOM 1929 CA MET A 124 2.250 -5.142 -11.098 1.00 0.00 C ATOM 1930 C MET A 124 1.341 -3.965 -10.711 1.00 0.00 C ATOM 1931 O MET A 124 0.687 -3.351 -11.556 1.00 0.00 O ATOM 1932 CB MET A 124 3.695 -4.652 -11.294 1.00 0.00 C ATOM 1933 CG MET A 124 4.710 -5.801 -11.276 1.00 0.00 C ATOM 1934 SD MET A 124 6.387 -5.305 -11.751 1.00 0.00 S ATOM 1935 CE MET A 124 6.163 -5.130 -13.541 1.00 0.00 C ATOM 0 H MET A 124 1.567 -5.182 -13.071 1.00 0.00 H new ATOM 0 HA MET A 124 2.207 -5.860 -10.279 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.770 -4.120 -12.242 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.944 -3.939 -10.508 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.739 -6.232 -10.275 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.368 -6.585 -11.951 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.739 -5.899 -14.057 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.107 -5.241 -13.788 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.508 -4.145 -13.856 1.00 0.00 H new ATOM 1945 N PHE A 125 1.359 -3.612 -9.426 1.00 0.00 N ATOM 1946 CA PHE A 125 0.757 -2.404 -8.860 1.00 0.00 C ATOM 1947 C PHE A 125 1.846 -1.549 -8.210 1.00 0.00 C ATOM 1948 O PHE A 125 2.657 -2.068 -7.448 1.00 0.00 O ATOM 1949 CB PHE A 125 -0.290 -2.818 -7.814 1.00 0.00 C ATOM 1950 CG PHE A 125 -1.527 -3.474 -8.394 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -2.387 -2.730 -9.225 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -1.832 -4.815 -8.095 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -3.538 -3.326 -9.766 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -2.984 -5.409 -8.637 1.00 0.00 C ATOM 1955 CZ PHE A 125 -3.827 -4.670 -9.484 1.00 0.00 C ATOM 0 H PHE A 125 1.815 -4.187 -8.718 1.00 0.00 H new ATOM 0 HA PHE A 125 0.275 -1.820 -9.644 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.173 -3.505 -7.106 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -0.592 -1.935 -7.250 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.161 -1.698 -9.447 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.181 -5.387 -7.450 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -4.199 -2.751 -10.398 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.222 -6.436 -8.402 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.699 -5.137 -9.919 1.00 0.00 H new ATOM 1965 N ILE A 126 1.844 -0.240 -8.468 1.00 0.00 N ATOM 1966 CA ILE A 126 2.621 0.743 -7.695 1.00 0.00 C ATOM 1967 C ILE A 126 1.658 1.346 -6.673 1.00 0.00 C ATOM 1968 O ILE A 126 0.653 1.921 -7.088 1.00 0.00 O ATOM 1969 CB ILE A 126 3.221 1.848 -8.604 1.00 0.00 C ATOM 1970 CG1 ILE A 126 4.049 1.274 -9.775 1.00 0.00 C ATOM 1971 CG2 ILE A 126 4.088 2.798 -7.751 1.00 0.00 C ATOM 1972 CD1 ILE A 126 4.390 2.311 -10.855 1.00 0.00 C ATOM 0 H ILE A 126 1.300 0.176 -9.224 1.00 0.00 H new ATOM 0 HA ILE A 126 3.469 0.260 -7.209 1.00 0.00 H new ATOM 0 HB ILE A 126 2.390 2.395 -9.049 1.00 0.00 H new ATOM 0 HG12 ILE A 126 4.975 0.853 -9.382 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.495 0.454 -10.233 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.511 3.575 -8.388 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.472 3.257 -6.978 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.895 2.233 -7.284 1.00 0.00 H new ATOM 0 HD11 ILE A 126 4.972 1.836 -11.645 1.00 0.00 H new ATOM 0 HD12 ILE A 126 3.469 2.714 -11.276 1.00 0.00 H new ATOM 0 HD13 ILE A 126 4.971 3.120 -10.412 1.00 0.00 H new ATOM 1984 N LEU A 127 1.941 1.214 -5.376 1.00 0.00 N ATOM 1985 CA LEU A 127 1.189 1.854 -4.292 1.00 0.00 C ATOM 1986 C LEU A 127 2.031 3.036 -3.804 1.00 0.00 C ATOM 1987 O LEU A 127 3.211 2.866 -3.506 1.00 0.00 O ATOM 1988 CB LEU A 127 0.914 0.847 -3.147 1.00 0.00 C ATOM 1989 CG LEU A 127 -0.295 -0.103 -3.325 1.00 0.00 C ATOM 1990 CD1 LEU A 127 -1.610 0.610 -3.030 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -0.330 -0.812 -4.683 1.00 0.00 C ATOM 0 H LEU A 127 2.718 0.645 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 127 0.216 2.199 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 127 1.807 0.237 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.769 1.412 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.162 -0.894 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.439 -0.085 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.604 0.974 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -1.728 1.452 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.205 -1.460 -4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.382 -0.070 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 127 0.572 -1.411 -4.804 1.00 0.00 H new ATOM 2003 N ASN A 128 1.445 4.231 -3.743 1.00 0.00 N ATOM 2004 CA ASN A 128 2.131 5.471 -3.374 1.00 0.00 C ATOM 2005 C ASN A 128 1.475 6.077 -2.126 1.00 0.00 C ATOM 2006 O ASN A 128 0.258 6.250 -2.106 1.00 0.00 O ATOM 2007 CB ASN A 128 2.115 6.499 -4.521 1.00 0.00 C ATOM 2008 CG ASN A 128 2.381 5.941 -5.921 1.00 0.00 C ATOM 2009 OD1 ASN A 128 3.458 6.097 -6.478 1.00 0.00 O ATOM 2010 ND2 ASN A 128 1.401 5.309 -6.544 1.00 0.00 N ATOM 0 H ASN A 128 0.456 4.368 -3.954 1.00 0.00 H new ATOM 0 HA ASN A 128 3.171 5.224 -3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 128 1.144 6.994 -4.526 1.00 0.00 H new ATOM 0 HB3 ASN A 128 2.861 7.264 -4.308 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.544 4.952 -7.489 1.00 0.00 H new ATOM 0 HD22 ASN A 128 0.502 5.178 -6.080 1.00 0.00 H new ATOM 2017 N PHE A 129 2.268 6.390 -1.100 1.00 0.00 N ATOM 2018 CA PHE A 129 1.816 6.906 0.191 1.00 0.00 C ATOM 2019 C PHE A 129 2.082 8.416 0.305 1.00 0.00 C ATOM 2020 O PHE A 129 3.156 8.892 -0.060 1.00 0.00 O ATOM 2021 CB PHE A 129 2.538 6.123 1.307 1.00 0.00 C ATOM 2022 CG PHE A 129 2.366 4.607 1.322 1.00 0.00 C ATOM 2023 CD1 PHE A 129 1.263 3.975 0.708 1.00 0.00 C ATOM 2024 CD2 PHE A 129 3.324 3.818 1.987 1.00 0.00 C ATOM 2025 CE1 PHE A 129 1.125 2.576 0.760 1.00 0.00 C ATOM 2026 CE2 PHE A 129 3.186 2.418 2.035 1.00 0.00 C ATOM 2027 CZ PHE A 129 2.084 1.798 1.424 1.00 0.00 C ATOM 0 H PHE A 129 3.282 6.287 -1.148 1.00 0.00 H new ATOM 0 HA PHE A 129 0.739 6.768 0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.604 6.341 1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 129 2.196 6.511 2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.521 4.569 0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 129 4.170 4.290 2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 129 0.278 2.100 0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.929 1.820 2.542 1.00 0.00 H new ATOM 0 HZ PHE A 129 1.975 0.724 1.465 1.00 0.00 H new ATOM 2037 N GLU A 130 1.128 9.170 0.854 1.00 0.00 N ATOM 2038 CA GLU A 130 1.259 10.603 1.139 1.00 0.00 C ATOM 2039 C GLU A 130 0.556 10.938 2.457 1.00 0.00 C ATOM 2040 O GLU A 130 -0.591 10.556 2.652 1.00 0.00 O ATOM 2041 CB GLU A 130 0.647 11.435 -0.007 1.00 0.00 C ATOM 2042 CG GLU A 130 1.580 11.503 -1.226 1.00 0.00 C ATOM 2043 CD GLU A 130 1.292 12.728 -2.106 1.00 0.00 C ATOM 2044 OE1 GLU A 130 0.183 12.835 -2.681 1.00 0.00 O ATOM 2045 OE2 GLU A 130 2.193 13.595 -2.230 1.00 0.00 O ATOM 0 H GLU A 130 0.219 8.793 1.120 1.00 0.00 H new ATOM 0 HA GLU A 130 2.318 10.848 1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.307 10.998 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.439 12.444 0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 130 2.616 11.535 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 130 1.467 10.596 -1.820 1.00 0.00 H new ATOM 2052 N VAL A 131 1.210 11.665 3.367 1.00 0.00 N ATOM 2053 CA VAL A 131 0.586 12.097 4.634 1.00 0.00 C ATOM 2054 C VAL A 131 -0.345 13.274 4.333 1.00 0.00 C ATOM 2055 O VAL A 131 0.120 14.350 3.957 1.00 0.00 O ATOM 2056 CB VAL A 131 1.633 12.447 5.717 1.00 0.00 C ATOM 2057 CG1 VAL A 131 0.963 12.994 6.992 1.00 0.00 C ATOM 2058 CG2 VAL A 131 2.436 11.193 6.087 1.00 0.00 C ATOM 0 H VAL A 131 2.176 11.971 3.255 1.00 0.00 H new ATOM 0 HA VAL A 131 0.009 11.271 5.050 1.00 0.00 H new ATOM 0 HB VAL A 131 2.289 13.215 5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 131 1.728 13.230 7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.402 13.897 6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.285 12.243 7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.172 11.445 6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 131 1.761 10.429 6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.946 10.813 5.202 1.00 0.00 H new ATOM 2068 N VAL A 132 -1.654 13.049 4.475 1.00 0.00 N ATOM 2069 CA VAL A 132 -2.700 14.025 4.108 1.00 0.00 C ATOM 2070 C VAL A 132 -3.179 14.869 5.302 1.00 0.00 C ATOM 2071 O VAL A 132 -3.563 16.020 5.103 1.00 0.00 O ATOM 2072 CB VAL A 132 -3.863 13.351 3.341 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -4.826 12.545 4.201 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -4.637 14.359 2.477 1.00 0.00 C ATOM 0 H VAL A 132 -2.028 12.178 4.851 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.240 14.736 3.422 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.366 12.625 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -5.604 12.114 3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.282 11.745 4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -5.283 13.198 4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.445 13.846 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.054 15.139 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.962 14.808 1.748 1.00 0.00 H new ATOM 2084 N MET A 133 -3.070 14.346 6.537 1.00 0.00 N ATOM 2085 CA MET A 133 -3.151 15.130 7.785 1.00 0.00 C ATOM 2086 C MET A 133 -2.573 14.383 8.995 1.00 0.00 C ATOM 2087 O MET A 133 -2.658 13.160 9.072 1.00 0.00 O ATOM 2088 CB MET A 133 -4.571 15.671 8.066 1.00 0.00 C ATOM 2089 CG MET A 133 -5.625 14.579 8.263 1.00 0.00 C ATOM 2090 SD MET A 133 -7.291 15.169 8.659 1.00 0.00 S ATOM 2091 CE MET A 133 -7.772 15.837 7.045 1.00 0.00 C ATOM 0 H MET A 133 -2.921 13.350 6.699 1.00 0.00 H new ATOM 0 HA MET A 133 -2.515 16.001 7.623 1.00 0.00 H new ATOM 0 HB2 MET A 133 -4.540 16.297 8.958 1.00 0.00 H new ATOM 0 HB3 MET A 133 -4.876 16.311 7.238 1.00 0.00 H new ATOM 0 HG2 MET A 133 -5.677 13.980 7.354 1.00 0.00 H new ATOM 0 HG3 MET A 133 -5.293 13.917 9.063 1.00 0.00 H new ATOM 0 HE1 MET A 133 -8.007 16.897 7.145 1.00 0.00 H new ATOM 0 HE2 MET A 133 -6.950 15.713 6.340 1.00 0.00 H new ATOM 0 HE3 MET A 133 -8.649 15.304 6.677 1.00 0.00 H new ATOM 2101 N GLU A 134 -1.996 15.109 9.952 1.00 0.00 N ATOM 2102 CA GLU A 134 -1.433 14.543 11.183 1.00 0.00 C ATOM 2103 C GLU A 134 -2.499 14.495 12.294 1.00 0.00 C ATOM 2104 O GLU A 134 -3.171 15.497 12.563 1.00 0.00 O ATOM 2105 CB GLU A 134 -0.207 15.367 11.607 1.00 0.00 C ATOM 2106 CG GLU A 134 0.540 14.751 12.794 1.00 0.00 C ATOM 2107 CD GLU A 134 1.783 15.583 13.142 1.00 0.00 C ATOM 2108 OE1 GLU A 134 1.672 16.546 13.938 1.00 0.00 O ATOM 2109 OE2 GLU A 134 2.885 15.283 12.622 1.00 0.00 O ATOM 0 H GLU A 134 -1.904 16.123 9.895 1.00 0.00 H new ATOM 0 HA GLU A 134 -1.113 13.517 11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 134 0.475 15.457 10.761 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -0.526 16.376 11.868 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -0.122 14.697 13.658 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.835 13.729 12.554 1.00 0.00 H new ATOM 2116 N LYS A 135 -2.645 13.327 12.935 1.00 0.00 N ATOM 2117 CA LYS A 135 -3.582 13.076 14.048 1.00 0.00 C ATOM 2118 C LYS A 135 -2.931 13.166 15.441 1.00 0.00 C ATOM 2119 O LYS A 135 -3.636 13.599 16.382 1.00 0.00 O ATOM 2120 CB LYS A 135 -4.271 11.715 13.838 1.00 0.00 C ATOM 2121 CG LYS A 135 -5.197 11.668 12.605 1.00 0.00 C ATOM 2122 CD LYS A 135 -6.395 12.630 12.650 1.00 0.00 C ATOM 2123 CE LYS A 135 -7.392 12.316 13.762 1.00 0.00 C ATOM 2124 NZ LYS A 135 -8.291 11.169 13.440 1.00 0.00 N ATOM 2125 OXT LYS A 135 -1.737 12.824 15.606 1.00 0.00 O ATOM 0 H LYS A 135 -2.098 12.502 12.688 1.00 0.00 H new ATOM 0 HA LYS A 135 -4.324 13.874 14.031 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.507 10.944 13.737 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.853 11.472 14.727 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -4.605 11.891 11.717 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -5.572 10.651 12.491 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -6.028 13.648 12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -6.912 12.598 11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.846 12.095 14.679 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -7.998 13.200 13.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -8.944 11.006 14.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -8.837 11.386 12.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -7.720 10.315 13.280 1.00 0.00 H new