USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 497 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 36 LYS NZ :NH3+ -122:sc= -0.0945 (180deg=-0.388) USER MOD Set 1.2: A 71 THR OG1 : rot -10:sc= -0.337 USER MOD Single : A 19 HIS : no HD1:sc= -0.0941 X(o=-0.094,f=-0.006) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 26 GLN : amide:sc=-0.00742 X(o=-0.0074,f=-0.24) USER MOD Single : A 29 THR OG1 : rot 73:sc= 1.03 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0553 USER MOD Single : A 39 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.8!) USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= 0.0191 (180deg=0.0181) USER MOD Single : A 44 CYS SG : rot -77:sc= -4.57! USER MOD Single : A 45 GLN : amide:sc= 0.237 X(o=0.24,f=-0.06) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.612 K(o=-0.61,f=-6.2!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -105:sc= -4.54! (180deg=-8.39!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 138:sc= -1.75! (180deg=-4.32!) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= 1.03 (180deg=0.0521) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 120:sc= -0.0794 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.427 USER MOD ----------------------------------------------------------------- ATOM 248 N GLU A 17 -3.377 -11.475 -2.946 1.00 0.00 N ATOM 249 CA GLU A 17 -2.127 -10.689 -2.972 1.00 0.00 C ATOM 250 C GLU A 17 -2.098 -9.651 -4.113 1.00 0.00 C ATOM 251 O GLU A 17 -1.859 -8.471 -3.862 1.00 0.00 O ATOM 252 CB GLU A 17 -0.941 -11.679 -3.080 1.00 0.00 C ATOM 253 CG GLU A 17 0.460 -11.042 -3.072 1.00 0.00 C ATOM 254 CD GLU A 17 1.585 -12.092 -3.153 1.00 0.00 C ATOM 255 OE1 GLU A 17 1.701 -12.755 -4.208 1.00 0.00 O ATOM 256 OE2 GLU A 17 2.340 -12.281 -2.169 1.00 0.00 O ATOM 0 HA GLU A 17 -2.055 -10.109 -2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.004 -12.385 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.054 -12.254 -3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.548 -10.354 -3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.582 -10.452 -2.164 1.00 0.00 H new ATOM 263 N GLY A 18 -2.355 -10.105 -5.359 1.00 0.00 N ATOM 264 CA GLY A 18 -2.412 -9.222 -6.537 1.00 0.00 C ATOM 265 C GLY A 18 -3.505 -8.151 -6.508 1.00 0.00 C ATOM 266 O GLY A 18 -3.252 -7.009 -6.900 1.00 0.00 O ATOM 0 H GLY A 18 -2.527 -11.087 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.447 -8.728 -6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.556 -9.838 -7.424 1.00 0.00 H new ATOM 270 N HIS A 19 -4.714 -8.518 -6.044 1.00 0.00 N ATOM 271 CA HIS A 19 -5.882 -7.597 -6.016 1.00 0.00 C ATOM 272 C HIS A 19 -5.630 -6.506 -4.968 1.00 0.00 C ATOM 273 O HIS A 19 -5.868 -5.314 -5.203 1.00 0.00 O ATOM 274 CB HIS A 19 -7.187 -8.378 -5.693 1.00 0.00 C ATOM 275 CG HIS A 19 -8.448 -7.533 -5.630 1.00 0.00 C ATOM 276 ND1 HIS A 19 -9.411 -7.536 -6.621 1.00 0.00 N ATOM 277 CD2 HIS A 19 -8.914 -6.681 -4.680 1.00 0.00 C ATOM 278 CE1 HIS A 19 -10.395 -6.731 -6.280 1.00 0.00 C ATOM 279 NE2 HIS A 19 -10.118 -6.205 -5.110 1.00 0.00 N ATOM 0 H HIS A 19 -4.915 -9.449 -5.680 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.006 -7.136 -6.996 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.325 -9.152 -6.448 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.061 -8.885 -4.737 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.421 -6.427 -3.753 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -11.282 -6.536 -6.865 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -10.709 -5.546 -4.603 1.00 0.00 H new ATOM 288 N LEU A 20 -5.165 -6.972 -3.813 1.00 0.00 N ATOM 289 CA LEU A 20 -4.853 -6.157 -2.642 1.00 0.00 C ATOM 290 C LEU A 20 -3.686 -5.201 -2.957 1.00 0.00 C ATOM 291 O LEU A 20 -3.679 -4.050 -2.510 1.00 0.00 O ATOM 292 CB LEU A 20 -4.538 -7.125 -1.459 1.00 0.00 C ATOM 293 CG LEU A 20 -4.358 -6.510 -0.028 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.917 -6.033 0.252 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.386 -5.381 0.222 1.00 0.00 C ATOM 0 H LEU A 20 -4.988 -7.965 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.696 -5.526 -2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.341 -7.860 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.625 -7.667 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.550 -7.315 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.860 -5.618 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.232 -6.876 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.640 -5.267 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.240 -4.971 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.247 -4.592 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.396 -5.783 0.139 1.00 0.00 H new ATOM 307 N GLU A 21 -2.725 -5.708 -3.744 1.00 0.00 N ATOM 308 CA GLU A 21 -1.571 -4.942 -4.239 1.00 0.00 C ATOM 309 C GLU A 21 -2.039 -3.765 -5.099 1.00 0.00 C ATOM 310 O GLU A 21 -1.664 -2.619 -4.844 1.00 0.00 O ATOM 311 CB GLU A 21 -0.646 -5.876 -5.060 1.00 0.00 C ATOM 312 CG GLU A 21 0.610 -5.210 -5.638 1.00 0.00 C ATOM 313 CD GLU A 21 1.561 -6.223 -6.271 1.00 0.00 C ATOM 314 OE1 GLU A 21 2.432 -6.769 -5.558 1.00 0.00 O ATOM 315 OE2 GLU A 21 1.431 -6.486 -7.484 1.00 0.00 O ATOM 0 H GLU A 21 -2.728 -6.678 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.016 -4.543 -3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.338 -6.706 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.223 -6.301 -5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.317 -4.473 -6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.130 -4.671 -4.846 1.00 0.00 H new ATOM 322 N GLN A 22 -2.911 -4.085 -6.072 1.00 0.00 N ATOM 323 CA GLN A 22 -3.474 -3.105 -7.013 1.00 0.00 C ATOM 324 C GLN A 22 -4.306 -2.053 -6.263 1.00 0.00 C ATOM 325 O GLN A 22 -4.368 -0.895 -6.687 1.00 0.00 O ATOM 326 CB GLN A 22 -4.345 -3.813 -8.085 1.00 0.00 C ATOM 327 CG GLN A 22 -3.559 -4.743 -9.031 1.00 0.00 C ATOM 328 CD GLN A 22 -4.459 -5.612 -9.915 1.00 0.00 C ATOM 329 OE1 GLN A 22 -5.564 -5.987 -9.523 1.00 0.00 O ATOM 330 NE2 GLN A 22 -3.991 -5.949 -11.104 1.00 0.00 N ATOM 0 H GLN A 22 -3.245 -5.036 -6.227 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.647 -2.602 -7.515 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.117 -4.395 -7.582 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.854 -3.055 -8.680 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.911 -4.139 -9.667 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.911 -5.389 -8.438 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.071 -5.623 -11.401 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.549 -6.535 -11.724 1.00 0.00 H new ATOM 339 N ARG A 23 -4.943 -2.469 -5.145 1.00 0.00 N ATOM 340 CA ARG A 23 -5.759 -1.583 -4.313 1.00 0.00 C ATOM 341 C ARG A 23 -4.882 -0.579 -3.535 1.00 0.00 C ATOM 342 O ARG A 23 -5.227 0.602 -3.461 1.00 0.00 O ATOM 343 CB ARG A 23 -6.622 -2.422 -3.325 1.00 0.00 C ATOM 344 CG ARG A 23 -7.607 -1.589 -2.470 1.00 0.00 C ATOM 345 CD ARG A 23 -8.540 -0.711 -3.329 1.00 0.00 C ATOM 346 NE ARG A 23 -9.405 0.145 -2.500 1.00 0.00 N ATOM 347 CZ ARG A 23 -9.528 1.478 -2.627 1.00 0.00 C ATOM 348 NH1 ARG A 23 -8.842 2.155 -3.552 1.00 0.00 N ATOM 349 NH2 ARG A 23 -10.337 2.136 -1.808 1.00 0.00 N ATOM 0 H ARG A 23 -4.900 -3.429 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.417 -1.014 -4.970 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.188 -3.161 -3.893 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.958 -2.973 -2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.208 -2.260 -1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.043 -0.954 -1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.942 -0.088 -3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.158 -1.348 -3.961 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.955 -0.310 -1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.209 1.661 -4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.952 3.166 -3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.858 1.631 -1.091 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.438 3.147 -1.895 1.00 0.00 H new ATOM 363 N ILE A 24 -3.765 -1.066 -2.947 1.00 0.00 N ATOM 364 CA ILE A 24 -2.805 -0.202 -2.225 1.00 0.00 C ATOM 365 C ILE A 24 -2.229 0.852 -3.189 1.00 0.00 C ATOM 366 O ILE A 24 -2.238 2.049 -2.875 1.00 0.00 O ATOM 367 CB ILE A 24 -1.633 -1.014 -1.558 1.00 0.00 C ATOM 368 CG1 ILE A 24 -2.176 -1.995 -0.472 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.557 -0.067 -0.959 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.113 -2.873 0.177 1.00 0.00 C ATOM 0 H ILE A 24 -3.507 -2.053 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.354 0.284 -1.418 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.157 -1.605 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.675 -1.416 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.931 -2.637 -0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.238 -0.660 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.140 0.556 -1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.013 0.568 -0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.580 -3.522 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.629 -3.483 -0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.369 -2.243 0.664 1.00 0.00 H new ATOM 382 N LEU A 25 -1.796 0.394 -4.391 1.00 0.00 N ATOM 383 CA LEU A 25 -1.245 1.264 -5.448 1.00 0.00 C ATOM 384 C LEU A 25 -2.273 2.334 -5.862 1.00 0.00 C ATOM 385 O LEU A 25 -1.910 3.476 -6.125 1.00 0.00 O ATOM 386 CB LEU A 25 -0.835 0.416 -6.688 1.00 0.00 C ATOM 387 CG LEU A 25 0.262 -0.665 -6.440 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.543 -1.491 -7.711 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.546 -0.030 -5.898 1.00 0.00 C ATOM 0 H LEU A 25 -1.822 -0.592 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.361 1.764 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.725 -0.079 -7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.482 1.093 -7.466 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.119 -1.352 -5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.312 -2.234 -7.500 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.371 -1.995 -8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.886 -0.829 -8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.294 -0.805 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.926 0.694 -6.619 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.333 0.474 -4.955 1.00 0.00 H new ATOM 401 N GLN A 26 -3.563 1.931 -5.864 1.00 0.00 N ATOM 402 CA GLN A 26 -4.690 2.806 -6.221 1.00 0.00 C ATOM 403 C GLN A 26 -4.839 3.941 -5.196 1.00 0.00 C ATOM 404 O GLN A 26 -4.920 5.099 -5.573 1.00 0.00 O ATOM 405 CB GLN A 26 -6.012 1.995 -6.299 1.00 0.00 C ATOM 406 CG GLN A 26 -7.185 2.763 -6.939 1.00 0.00 C ATOM 407 CD GLN A 26 -8.535 2.057 -6.802 1.00 0.00 C ATOM 408 OE1 GLN A 26 -8.615 0.828 -6.738 1.00 0.00 O ATOM 409 NE2 GLN A 26 -9.609 2.829 -6.767 1.00 0.00 N ATOM 0 H GLN A 26 -3.848 0.984 -5.616 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.483 3.237 -7.200 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.834 1.084 -6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.298 1.689 -5.293 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.254 3.750 -6.481 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.972 2.917 -7.997 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.510 3.843 -6.822 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.536 2.410 -6.685 1.00 0.00 H new ATOM 418 N VAL A 27 -4.831 3.569 -3.901 1.00 0.00 N ATOM 419 CA VAL A 27 -4.946 4.516 -2.770 1.00 0.00 C ATOM 420 C VAL A 27 -3.805 5.560 -2.811 1.00 0.00 C ATOM 421 O VAL A 27 -4.024 6.760 -2.578 1.00 0.00 O ATOM 422 CB VAL A 27 -4.936 3.733 -1.397 1.00 0.00 C ATOM 423 CG1 VAL A 27 -4.898 4.680 -0.184 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.149 2.778 -1.295 1.00 0.00 C ATOM 0 H VAL A 27 -4.744 2.596 -3.606 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.894 5.047 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.020 3.143 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.892 4.094 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.998 5.293 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.777 5.325 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.118 2.251 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.072 3.354 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.112 2.055 -2.110 1.00 0.00 H new ATOM 434 N LEU A 28 -2.604 5.075 -3.171 1.00 0.00 N ATOM 435 CA LEU A 28 -1.394 5.906 -3.295 1.00 0.00 C ATOM 436 C LEU A 28 -1.508 6.879 -4.488 1.00 0.00 C ATOM 437 O LEU A 28 -1.070 8.032 -4.392 1.00 0.00 O ATOM 438 CB LEU A 28 -0.149 4.992 -3.447 1.00 0.00 C ATOM 439 CG LEU A 28 0.128 4.026 -2.252 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.190 2.982 -2.616 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.530 4.791 -0.981 1.00 0.00 C ATOM 0 H LEU A 28 -2.445 4.091 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.287 6.506 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.266 4.397 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.728 5.623 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.805 3.503 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.361 2.324 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.845 2.393 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.121 3.486 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.714 4.083 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.436 5.365 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.275 5.468 -0.694 1.00 0.00 H new ATOM 453 N THR A 29 -2.097 6.402 -5.611 1.00 0.00 N ATOM 454 CA THR A 29 -2.281 7.202 -6.838 1.00 0.00 C ATOM 455 C THR A 29 -3.375 8.281 -6.667 1.00 0.00 C ATOM 456 O THR A 29 -3.161 9.435 -7.040 1.00 0.00 O ATOM 457 CB THR A 29 -2.629 6.270 -8.053 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.596 5.285 -8.211 1.00 0.00 O ATOM 459 CG2 THR A 29 -2.780 7.051 -9.377 1.00 0.00 C ATOM 0 H THR A 29 -2.457 5.451 -5.688 1.00 0.00 H new ATOM 0 HA THR A 29 -1.339 7.714 -7.035 1.00 0.00 H new ATOM 0 HB THR A 29 -3.588 5.800 -7.833 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.664 4.621 -7.493 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.020 6.358 -10.183 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.581 7.784 -9.278 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.846 7.563 -9.606 1.00 0.00 H new ATOM 467 N GLU A 30 -4.534 7.911 -6.086 1.00 0.00 N ATOM 468 CA GLU A 30 -5.686 8.825 -5.931 1.00 0.00 C ATOM 469 C GLU A 30 -5.343 9.987 -4.984 1.00 0.00 C ATOM 470 O GLU A 30 -5.759 11.126 -5.214 1.00 0.00 O ATOM 471 CB GLU A 30 -6.915 8.044 -5.405 1.00 0.00 C ATOM 472 CG GLU A 30 -7.418 6.930 -6.347 1.00 0.00 C ATOM 473 CD GLU A 30 -8.531 6.087 -5.709 1.00 0.00 C ATOM 474 OE1 GLU A 30 -8.217 5.194 -4.886 1.00 0.00 O ATOM 475 OE2 GLU A 30 -9.728 6.315 -6.005 1.00 0.00 O ATOM 0 H GLU A 30 -4.698 6.976 -5.713 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.925 9.246 -6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.663 7.601 -4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.728 8.748 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.787 7.377 -7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.584 6.282 -6.618 1.00 0.00 H new ATOM 482 N ALA A 31 -4.588 9.669 -3.916 1.00 0.00 N ATOM 483 CA ALA A 31 -4.014 10.678 -3.014 1.00 0.00 C ATOM 484 C ALA A 31 -2.930 11.498 -3.744 1.00 0.00 C ATOM 485 O ALA A 31 -2.842 12.722 -3.580 1.00 0.00 O ATOM 486 CB ALA A 31 -3.427 9.994 -1.769 1.00 0.00 C ATOM 0 H ALA A 31 -4.361 8.709 -3.657 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.804 11.360 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.004 10.748 -1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.215 9.452 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.646 9.297 -2.071 1.00 0.00 H new ATOM 492 N GLY A 32 -2.124 10.791 -4.569 1.00 0.00 N ATOM 493 CA GLY A 32 -0.981 11.387 -5.271 1.00 0.00 C ATOM 494 C GLY A 32 0.126 11.811 -4.317 1.00 0.00 C ATOM 495 O GLY A 32 0.961 12.657 -4.652 1.00 0.00 O ATOM 0 H GLY A 32 -2.253 9.798 -4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.584 10.669 -5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.319 12.253 -5.840 1.00 0.00 H new ATOM 499 N SER A 33 0.135 11.192 -3.130 1.00 0.00 N ATOM 500 CA SER A 33 0.971 11.600 -2.001 1.00 0.00 C ATOM 501 C SER A 33 1.295 10.369 -1.120 1.00 0.00 C ATOM 502 O SER A 33 0.675 9.303 -1.299 1.00 0.00 O ATOM 503 CB SER A 33 0.218 12.696 -1.193 1.00 0.00 C ATOM 504 OG SER A 33 -1.042 12.233 -0.724 1.00 0.00 O ATOM 0 H SER A 33 -0.449 10.381 -2.927 1.00 0.00 H new ATOM 0 HA SER A 33 1.916 12.013 -2.355 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.829 13.008 -0.346 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.072 13.575 -1.821 1.00 0.00 H new ATOM 0 HG SER A 33 -1.486 12.947 -0.220 1.00 0.00 H new ATOM 510 N PRO A 34 2.284 10.474 -0.171 1.00 0.00 N ATOM 511 CA PRO A 34 2.532 9.423 0.831 1.00 0.00 C ATOM 512 C PRO A 34 1.280 9.139 1.691 1.00 0.00 C ATOM 513 O PRO A 34 0.774 10.037 2.374 1.00 0.00 O ATOM 514 CB PRO A 34 3.696 9.988 1.689 1.00 0.00 C ATOM 515 CG PRO A 34 4.361 11.003 0.810 1.00 0.00 C ATOM 516 CD PRO A 34 3.252 11.598 -0.024 1.00 0.00 C ATOM 0 HA PRO A 34 2.777 8.466 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.326 10.442 2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.391 9.201 1.980 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.861 11.769 1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.121 10.540 0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.797 12.458 0.468 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.618 11.942 -0.992 1.00 0.00 H new ATOM 524 N VAL A 35 0.786 7.897 1.616 1.00 0.00 N ATOM 525 CA VAL A 35 -0.336 7.404 2.421 1.00 0.00 C ATOM 526 C VAL A 35 0.236 6.544 3.545 1.00 0.00 C ATOM 527 O VAL A 35 0.992 5.595 3.283 1.00 0.00 O ATOM 528 CB VAL A 35 -1.347 6.549 1.568 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.505 6.004 2.431 1.00 0.00 C ATOM 530 CG2 VAL A 35 -1.879 7.352 0.360 1.00 0.00 C ATOM 0 H VAL A 35 1.163 7.193 0.981 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.888 8.258 2.814 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.799 5.690 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.181 5.420 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.103 5.370 3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.051 6.836 2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.574 6.735 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.393 8.245 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.045 7.643 -0.279 1.00 0.00 H new ATOM 540 N LYS A 36 -0.115 6.877 4.787 1.00 0.00 N ATOM 541 CA LYS A 36 0.338 6.136 5.972 1.00 0.00 C ATOM 542 C LYS A 36 -0.315 4.749 6.021 1.00 0.00 C ATOM 543 O LYS A 36 -1.399 4.556 5.466 1.00 0.00 O ATOM 544 CB LYS A 36 0.014 6.946 7.251 1.00 0.00 C ATOM 545 CG LYS A 36 0.754 8.297 7.302 1.00 0.00 C ATOM 546 CD LYS A 36 0.474 9.107 8.586 1.00 0.00 C ATOM 547 CE LYS A 36 1.325 10.383 8.655 1.00 0.00 C ATOM 548 NZ LYS A 36 2.782 10.072 8.606 1.00 0.00 N ATOM 0 H LYS A 36 -0.722 7.668 5.004 1.00 0.00 H new ATOM 0 HA LYS A 36 1.417 5.995 5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.060 7.123 7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.282 6.356 8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.826 8.118 7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.465 8.893 6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.582 9.373 8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.679 8.487 9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.064 11.041 7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.098 10.924 9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.247 10.451 9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.916 9.041 8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.201 10.507 7.759 1.00 0.00 H new ATOM 562 N LEU A 37 0.348 3.801 6.698 1.00 0.00 N ATOM 563 CA LEU A 37 -0.142 2.421 6.851 1.00 0.00 C ATOM 564 C LEU A 37 -1.490 2.401 7.591 1.00 0.00 C ATOM 565 O LEU A 37 -2.429 1.740 7.143 1.00 0.00 O ATOM 566 CB LEU A 37 0.904 1.559 7.598 1.00 0.00 C ATOM 567 CG LEU A 37 0.456 0.117 8.018 1.00 0.00 C ATOM 568 CD1 LEU A 37 -0.041 -0.703 6.809 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.592 -0.606 8.775 1.00 0.00 C ATOM 0 H LEU A 37 1.243 3.969 7.157 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.295 1.997 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.787 1.470 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.209 2.096 8.496 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.391 0.213 8.698 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.342 -1.696 7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.893 -0.199 6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.761 -0.794 6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.262 -1.605 9.058 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.468 -0.682 8.131 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.849 -0.041 9.671 1.00 0.00 H new ATOM 581 N ALA A 38 -1.548 3.102 8.735 1.00 0.00 N ATOM 582 CA ALA A 38 -2.794 3.350 9.484 1.00 0.00 C ATOM 583 C ALA A 38 -3.943 3.844 8.577 1.00 0.00 C ATOM 584 O ALA A 38 -5.098 3.443 8.762 1.00 0.00 O ATOM 585 CB ALA A 38 -2.530 4.359 10.605 1.00 0.00 C ATOM 0 H ALA A 38 -0.725 3.517 9.171 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.115 2.399 9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.453 4.540 11.156 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.775 3.961 11.282 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.175 5.296 10.175 1.00 0.00 H new ATOM 591 N GLN A 39 -3.623 4.701 7.583 1.00 0.00 N ATOM 592 CA GLN A 39 -4.606 5.192 6.609 1.00 0.00 C ATOM 593 C GLN A 39 -4.940 4.092 5.571 1.00 0.00 C ATOM 594 O GLN A 39 -6.099 3.924 5.216 1.00 0.00 O ATOM 595 CB GLN A 39 -4.065 6.468 5.906 1.00 0.00 C ATOM 596 CG GLN A 39 -5.090 7.185 5.004 1.00 0.00 C ATOM 597 CD GLN A 39 -4.564 8.483 4.389 1.00 0.00 C ATOM 598 OE1 GLN A 39 -3.375 8.627 4.120 1.00 0.00 O ATOM 599 NE2 GLN A 39 -5.447 9.436 4.165 1.00 0.00 N ATOM 0 H GLN A 39 -2.682 5.066 7.439 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.525 5.448 7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.718 7.167 6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.198 6.196 5.304 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.391 6.510 4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.983 7.406 5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.429 9.287 4.399 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.149 10.322 3.758 1.00 0.00 H new ATOM 608 N LEU A 40 -3.913 3.316 5.145 1.00 0.00 N ATOM 609 CA LEU A 40 -4.068 2.234 4.144 1.00 0.00 C ATOM 610 C LEU A 40 -5.119 1.210 4.610 1.00 0.00 C ATOM 611 O LEU A 40 -5.936 0.759 3.805 1.00 0.00 O ATOM 612 CB LEU A 40 -2.702 1.516 3.869 1.00 0.00 C ATOM 613 CG LEU A 40 -1.675 2.297 2.986 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.290 1.615 2.993 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.206 2.455 1.545 1.00 0.00 C ATOM 0 H LEU A 40 -2.957 3.423 5.485 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.408 2.690 3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.232 1.296 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.909 0.560 3.389 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.552 3.291 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.399 2.184 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.091 1.577 4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.381 0.602 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.477 3.001 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.370 1.470 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.147 3.005 1.562 1.00 0.00 H new ATOM 627 N VAL A 41 -5.094 0.886 5.923 1.00 0.00 N ATOM 628 CA VAL A 41 -6.039 -0.066 6.546 1.00 0.00 C ATOM 629 C VAL A 41 -7.508 0.342 6.294 1.00 0.00 C ATOM 630 O VAL A 41 -8.293 -0.457 5.755 1.00 0.00 O ATOM 631 CB VAL A 41 -5.770 -0.215 8.099 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.718 -1.251 8.741 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.294 -0.583 8.388 1.00 0.00 C ATOM 0 H VAL A 41 -4.418 1.277 6.579 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.870 -1.034 6.074 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.972 0.756 8.550 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.505 -1.327 9.807 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.752 -0.935 8.599 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.567 -2.223 8.270 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.146 -0.677 9.464 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.054 -1.530 7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.641 0.199 7.999 1.00 0.00 H new ATOM 643 N LYS A 42 -7.857 1.596 6.649 1.00 0.00 N ATOM 644 CA LYS A 42 -9.247 2.086 6.531 1.00 0.00 C ATOM 645 C LYS A 42 -9.661 2.251 5.056 1.00 0.00 C ATOM 646 O LYS A 42 -10.802 1.942 4.707 1.00 0.00 O ATOM 647 CB LYS A 42 -9.477 3.402 7.330 1.00 0.00 C ATOM 648 CG LYS A 42 -8.664 4.624 6.854 1.00 0.00 C ATOM 649 CD LYS A 42 -8.931 5.906 7.681 1.00 0.00 C ATOM 650 CE LYS A 42 -8.497 5.769 9.151 1.00 0.00 C ATOM 651 NZ LYS A 42 -7.059 5.406 9.279 1.00 0.00 N ATOM 0 H LYS A 42 -7.200 2.284 7.017 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.888 1.326 6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.537 3.653 7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.239 3.216 8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.602 4.385 6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.899 4.821 5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.400 6.743 7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.994 6.143 7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.681 6.709 9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.107 5.009 9.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.806 5.341 10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.890 4.488 8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.475 6.135 8.822 1.00 0.00 H new ATOM 665 N GLU A 43 -8.745 2.735 4.195 1.00 0.00 N ATOM 666 CA GLU A 43 -9.027 2.933 2.756 1.00 0.00 C ATOM 667 C GLU A 43 -9.312 1.614 2.012 1.00 0.00 C ATOM 668 O GLU A 43 -10.353 1.475 1.355 1.00 0.00 O ATOM 669 CB GLU A 43 -7.855 3.684 2.076 1.00 0.00 C ATOM 670 CG GLU A 43 -7.546 5.063 2.689 1.00 0.00 C ATOM 671 CD GLU A 43 -8.759 6.006 2.747 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.245 6.429 1.678 1.00 0.00 O ATOM 673 OE2 GLU A 43 -9.225 6.337 3.858 1.00 0.00 O ATOM 0 H GLU A 43 -7.799 2.998 4.471 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.934 3.534 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.960 3.065 2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.086 3.813 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.159 4.922 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.756 5.539 2.108 1.00 0.00 H new ATOM 680 N CYS A 44 -8.390 0.644 2.129 1.00 0.00 N ATOM 681 CA CYS A 44 -8.474 -0.631 1.388 1.00 0.00 C ATOM 682 C CYS A 44 -9.509 -1.575 2.024 1.00 0.00 C ATOM 683 O CYS A 44 -10.038 -2.456 1.335 1.00 0.00 O ATOM 684 CB CYS A 44 -7.105 -1.327 1.377 1.00 0.00 C ATOM 685 SG CYS A 44 -6.554 -1.837 3.018 1.00 0.00 S ATOM 0 H CYS A 44 -7.572 0.717 2.733 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.783 -0.402 0.368 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.155 -2.202 0.729 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.365 -0.653 0.946 1.00 0.00 H new ATOM 0 HG CYS A 44 -6.111 -0.802 3.668 1.00 0.00 H new ATOM 691 N GLN A 45 -9.777 -1.376 3.347 1.00 0.00 N ATOM 692 CA GLN A 45 -10.662 -2.253 4.160 1.00 0.00 C ATOM 693 C GLN A 45 -10.086 -3.676 4.257 1.00 0.00 C ATOM 694 O GLN A 45 -10.821 -4.668 4.289 1.00 0.00 O ATOM 695 CB GLN A 45 -12.129 -2.241 3.616 1.00 0.00 C ATOM 696 CG GLN A 45 -12.897 -0.927 3.873 1.00 0.00 C ATOM 697 CD GLN A 45 -13.205 -0.702 5.361 1.00 0.00 C ATOM 698 OE1 GLN A 45 -14.251 -1.121 5.864 1.00 0.00 O ATOM 699 NE2 GLN A 45 -12.299 -0.062 6.073 1.00 0.00 N ATOM 0 H GLN A 45 -9.382 -0.600 3.878 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.701 -1.853 5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.106 -2.430 2.543 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.679 -3.064 4.073 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.311 -0.089 3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.831 -0.941 3.311 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.444 0.272 5.629 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.453 0.099 7.068 1.00 0.00 H new ATOM 708 N ALA A 46 -8.750 -3.745 4.344 1.00 0.00 N ATOM 709 CA ALA A 46 -8.003 -5.004 4.470 1.00 0.00 C ATOM 710 C ALA A 46 -7.212 -5.028 5.788 1.00 0.00 C ATOM 711 O ALA A 46 -6.833 -3.962 6.301 1.00 0.00 O ATOM 712 CB ALA A 46 -7.071 -5.179 3.269 1.00 0.00 C ATOM 0 H ALA A 46 -8.152 -2.919 4.329 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.707 -5.836 4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.520 -6.114 3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.660 -5.201 2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.368 -4.347 3.229 1.00 0.00 H new ATOM 718 N PRO A 47 -6.972 -6.240 6.385 1.00 0.00 N ATOM 719 CA PRO A 47 -6.175 -6.364 7.624 1.00 0.00 C ATOM 720 C PRO A 47 -4.704 -5.946 7.394 1.00 0.00 C ATOM 721 O PRO A 47 -4.111 -6.293 6.371 1.00 0.00 O ATOM 722 CB PRO A 47 -6.307 -7.866 8.001 1.00 0.00 C ATOM 723 CG PRO A 47 -6.659 -8.562 6.722 1.00 0.00 C ATOM 724 CD PRO A 47 -7.468 -7.570 5.914 1.00 0.00 C ATOM 0 HA PRO A 47 -6.525 -5.708 8.421 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.375 -8.251 8.416 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.078 -8.016 8.756 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.761 -8.864 6.183 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.234 -9.467 6.916 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.308 -7.701 4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.537 -7.685 6.093 1.00 0.00 H new ATOM 732 N LYS A 48 -4.164 -5.165 8.342 1.00 0.00 N ATOM 733 CA LYS A 48 -2.758 -4.716 8.360 1.00 0.00 C ATOM 734 C LYS A 48 -1.756 -5.883 8.161 1.00 0.00 C ATOM 735 O LYS A 48 -0.707 -5.704 7.559 1.00 0.00 O ATOM 736 CB LYS A 48 -2.476 -3.972 9.688 1.00 0.00 C ATOM 737 CG LYS A 48 -1.055 -3.386 9.804 1.00 0.00 C ATOM 738 CD LYS A 48 -0.811 -2.629 11.124 1.00 0.00 C ATOM 739 CE LYS A 48 -1.628 -1.334 11.232 1.00 0.00 C ATOM 740 NZ LYS A 48 -1.360 -0.620 12.515 1.00 0.00 N ATOM 0 H LYS A 48 -4.702 -4.819 9.136 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.612 -4.040 7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.199 -3.163 9.797 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.640 -4.660 10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.329 -4.194 9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.880 -2.709 8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.060 -3.280 11.962 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.249 -2.391 11.210 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.387 -0.680 10.394 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.690 -1.566 11.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.929 0.250 12.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.614 -1.235 13.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.351 -0.376 12.572 1.00 0.00 H new ATOM 754 N ARG A 49 -2.099 -7.077 8.663 1.00 0.00 N ATOM 755 CA ARG A 49 -1.280 -8.303 8.497 1.00 0.00 C ATOM 756 C ARG A 49 -1.123 -8.690 7.007 1.00 0.00 C ATOM 757 O ARG A 49 -0.013 -9.005 6.552 1.00 0.00 O ATOM 758 CB ARG A 49 -1.929 -9.449 9.301 1.00 0.00 C ATOM 759 CG ARG A 49 -1.954 -9.207 10.829 1.00 0.00 C ATOM 760 CD ARG A 49 -2.900 -10.174 11.560 1.00 0.00 C ATOM 761 NE ARG A 49 -4.309 -9.978 11.145 1.00 0.00 N ATOM 762 CZ ARG A 49 -5.120 -10.934 10.654 1.00 0.00 C ATOM 763 NH1 ARG A 49 -4.692 -12.189 10.497 1.00 0.00 N ATOM 764 NH2 ARG A 49 -6.357 -10.607 10.294 1.00 0.00 N ATOM 0 H ARG A 49 -2.954 -7.229 9.199 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.277 -8.111 8.877 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.950 -9.593 8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.388 -10.373 9.098 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.946 -9.318 11.228 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.264 -8.181 11.027 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.600 -11.202 11.355 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.813 -10.025 12.636 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.697 -9.040 11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.736 -12.437 10.751 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.321 -12.899 10.123 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.679 -9.644 10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.984 -11.319 9.920 1.00 0.00 H new ATOM 778 N GLU A 50 -2.247 -8.641 6.266 1.00 0.00 N ATOM 779 CA GLU A 50 -2.273 -8.854 4.802 1.00 0.00 C ATOM 780 C GLU A 50 -1.493 -7.728 4.079 1.00 0.00 C ATOM 781 O GLU A 50 -0.600 -8.002 3.256 1.00 0.00 O ATOM 782 CB GLU A 50 -3.756 -8.896 4.325 1.00 0.00 C ATOM 783 CG GLU A 50 -3.988 -8.962 2.799 1.00 0.00 C ATOM 784 CD GLU A 50 -3.484 -10.257 2.136 1.00 0.00 C ATOM 785 OE1 GLU A 50 -4.217 -11.268 2.157 1.00 0.00 O ATOM 786 OE2 GLU A 50 -2.358 -10.274 1.602 1.00 0.00 O ATOM 0 H GLU A 50 -3.166 -8.452 6.665 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.790 -9.801 4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.237 -9.762 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.263 -8.011 4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.055 -8.858 2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.492 -8.112 2.331 1.00 0.00 H new ATOM 793 N LEU A 51 -1.829 -6.463 4.441 1.00 0.00 N ATOM 794 CA LEU A 51 -1.258 -5.246 3.831 1.00 0.00 C ATOM 795 C LEU A 51 0.271 -5.247 3.873 1.00 0.00 C ATOM 796 O LEU A 51 0.895 -5.197 2.831 1.00 0.00 O ATOM 797 CB LEU A 51 -1.796 -3.969 4.536 1.00 0.00 C ATOM 798 CG LEU A 51 -3.308 -3.666 4.334 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.747 -2.484 5.205 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.625 -3.397 2.853 1.00 0.00 C ATOM 0 H LEU A 51 -2.511 -6.263 5.172 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.570 -5.242 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.603 -4.059 5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.223 -3.113 4.180 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.870 -4.547 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.808 -2.290 5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.574 -2.721 6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.172 -1.599 4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.689 -3.188 2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.048 -2.539 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.363 -4.273 2.260 1.00 0.00 H new ATOM 812 N ASN A 52 0.830 -5.330 5.094 1.00 0.00 N ATOM 813 CA ASN A 52 2.285 -5.217 5.360 1.00 0.00 C ATOM 814 C ASN A 52 3.094 -6.230 4.551 1.00 0.00 C ATOM 815 O ASN A 52 4.096 -5.858 3.931 1.00 0.00 O ATOM 816 CB ASN A 52 2.589 -5.373 6.881 1.00 0.00 C ATOM 817 CG ASN A 52 2.012 -4.248 7.738 1.00 0.00 C ATOM 818 OD1 ASN A 52 1.062 -3.580 7.351 1.00 0.00 O ATOM 819 ND2 ASN A 52 2.550 -4.067 8.931 1.00 0.00 N ATOM 0 H ASN A 52 0.280 -5.480 5.940 1.00 0.00 H new ATOM 0 HA ASN A 52 2.590 -4.220 5.043 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.187 -6.325 7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.669 -5.411 7.025 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.174 -3.355 9.557 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.341 -4.639 9.226 1.00 0.00 H new ATOM 826 N GLN A 53 2.635 -7.499 4.546 1.00 0.00 N ATOM 827 CA GLN A 53 3.273 -8.578 3.776 1.00 0.00 C ATOM 828 C GLN A 53 3.409 -8.181 2.290 1.00 0.00 C ATOM 829 O GLN A 53 4.498 -8.273 1.712 1.00 0.00 O ATOM 830 CB GLN A 53 2.459 -9.894 3.922 1.00 0.00 C ATOM 831 CG GLN A 53 3.040 -11.092 3.152 1.00 0.00 C ATOM 832 CD GLN A 53 2.283 -12.405 3.381 1.00 0.00 C ATOM 833 OE1 GLN A 53 1.333 -12.722 2.672 1.00 0.00 O ATOM 834 NE2 GLN A 53 2.704 -13.182 4.367 1.00 0.00 N ATOM 0 H GLN A 53 1.816 -7.800 5.074 1.00 0.00 H new ATOM 0 HA GLN A 53 4.274 -8.744 4.173 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.397 -10.153 4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.440 -9.716 3.578 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.036 -10.863 2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.081 -11.229 3.444 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.496 -12.894 4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.236 -14.069 4.553 1.00 0.00 H new ATOM 843 N VAL A 54 2.308 -7.689 1.700 1.00 0.00 N ATOM 844 CA VAL A 54 2.294 -7.264 0.290 1.00 0.00 C ATOM 845 C VAL A 54 3.123 -5.969 0.089 1.00 0.00 C ATOM 846 O VAL A 54 3.757 -5.803 -0.946 1.00 0.00 O ATOM 847 CB VAL A 54 0.823 -7.069 -0.232 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.798 -6.670 -1.720 1.00 0.00 C ATOM 849 CG2 VAL A 54 -0.021 -8.340 0.007 1.00 0.00 C ATOM 0 H VAL A 54 1.414 -7.575 2.178 1.00 0.00 H new ATOM 0 HA VAL A 54 2.757 -8.057 -0.297 1.00 0.00 H new ATOM 0 HB VAL A 54 0.381 -6.252 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.235 -6.544 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.338 -5.733 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.273 -7.451 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.034 -8.179 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.429 -9.180 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.055 -8.559 1.074 1.00 0.00 H new ATOM 859 N LEU A 55 3.090 -5.049 1.074 1.00 0.00 N ATOM 860 CA LEU A 55 3.861 -3.784 1.065 1.00 0.00 C ATOM 861 C LEU A 55 5.369 -3.982 0.833 1.00 0.00 C ATOM 862 O LEU A 55 5.967 -3.214 0.071 1.00 0.00 O ATOM 863 CB LEU A 55 3.602 -2.978 2.368 1.00 0.00 C ATOM 864 CG LEU A 55 2.225 -2.253 2.454 1.00 0.00 C ATOM 865 CD1 LEU A 55 1.973 -1.699 3.870 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.135 -1.133 1.400 1.00 0.00 C ATOM 0 H LEU A 55 2.519 -5.163 1.912 1.00 0.00 H new ATOM 0 HA LEU A 55 3.500 -3.212 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.687 -3.657 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.391 -2.233 2.475 1.00 0.00 H new ATOM 0 HG LEU A 55 1.446 -2.985 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.005 -1.199 3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.979 -2.519 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.757 -0.987 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.166 -0.639 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.928 -0.406 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.247 -1.561 0.404 1.00 0.00 H new ATOM 878 N TYR A 56 5.996 -4.984 1.478 1.00 0.00 N ATOM 879 CA TYR A 56 7.429 -5.265 1.262 1.00 0.00 C ATOM 880 C TYR A 56 7.675 -5.905 -0.119 1.00 0.00 C ATOM 881 O TYR A 56 8.762 -5.765 -0.690 1.00 0.00 O ATOM 882 CB TYR A 56 7.967 -6.184 2.382 1.00 0.00 C ATOM 883 CG TYR A 56 7.759 -5.625 3.801 1.00 0.00 C ATOM 884 CD1 TYR A 56 8.398 -4.456 4.218 1.00 0.00 C ATOM 885 CD2 TYR A 56 6.928 -6.267 4.723 1.00 0.00 C ATOM 886 CE1 TYR A 56 8.218 -3.959 5.500 1.00 0.00 C ATOM 887 CE2 TYR A 56 6.742 -5.770 6.000 1.00 0.00 C ATOM 888 CZ TYR A 56 7.389 -4.618 6.383 1.00 0.00 C ATOM 889 OH TYR A 56 7.216 -4.125 7.662 1.00 0.00 O ATOM 0 H TYR A 56 5.540 -5.606 2.145 1.00 0.00 H new ATOM 0 HA TYR A 56 7.965 -4.316 1.291 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.477 -7.155 2.309 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.032 -6.352 2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.044 -3.930 3.530 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.419 -7.173 4.431 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.727 -3.057 5.806 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.092 -6.284 6.693 1.00 0.00 H new ATOM 0 HH TYR A 56 6.600 -4.706 8.156 1.00 0.00 H new ATOM 899 N ARG A 57 6.655 -6.612 -0.649 1.00 0.00 N ATOM 900 CA ARG A 57 6.691 -7.215 -1.991 1.00 0.00 C ATOM 901 C ARG A 57 6.711 -6.120 -3.073 1.00 0.00 C ATOM 902 O ARG A 57 7.637 -6.058 -3.880 1.00 0.00 O ATOM 903 CB ARG A 57 5.454 -8.142 -2.175 1.00 0.00 C ATOM 904 CG ARG A 57 5.151 -8.554 -3.634 1.00 0.00 C ATOM 905 CD ARG A 57 3.849 -9.357 -3.759 1.00 0.00 C ATOM 906 NE ARG A 57 3.496 -9.625 -5.164 1.00 0.00 N ATOM 907 CZ ARG A 57 3.844 -10.726 -5.846 1.00 0.00 C ATOM 908 NH1 ARG A 57 4.556 -11.690 -5.276 1.00 0.00 N ATOM 909 NH2 ARG A 57 3.469 -10.857 -7.106 1.00 0.00 N ATOM 0 H ARG A 57 5.780 -6.779 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 57 7.600 -7.808 -2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.606 -9.045 -1.583 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.578 -7.637 -1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.084 -7.660 -4.254 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.979 -9.148 -4.020 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.954 -10.302 -3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.038 -8.808 -3.280 1.00 0.00 H new ATOM 0 HE ARG A 57 2.946 -8.920 -5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.848 -11.601 -4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.811 -12.520 -5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.919 -10.124 -7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.730 -11.691 -7.632 1.00 0.00 H new ATOM 923 N MET A 58 5.677 -5.255 -3.075 1.00 0.00 N ATOM 924 CA MET A 58 5.542 -4.142 -4.034 1.00 0.00 C ATOM 925 C MET A 58 6.711 -3.140 -3.909 1.00 0.00 C ATOM 926 O MET A 58 7.059 -2.478 -4.879 1.00 0.00 O ATOM 927 CB MET A 58 4.186 -3.412 -3.834 1.00 0.00 C ATOM 928 CG MET A 58 3.949 -2.928 -2.401 1.00 0.00 C ATOM 929 SD MET A 58 2.436 -1.980 -2.166 1.00 0.00 S ATOM 930 CE MET A 58 1.213 -3.070 -2.836 1.00 0.00 C ATOM 0 H MET A 58 4.908 -5.310 -2.407 1.00 0.00 H new ATOM 0 HA MET A 58 5.571 -4.567 -5.037 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.142 -2.557 -4.508 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.377 -4.084 -4.119 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.925 -3.794 -1.739 1.00 0.00 H new ATOM 0 HG3 MET A 58 4.797 -2.315 -2.094 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.893 -2.702 -3.811 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.636 -4.068 -2.946 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.356 -3.112 -2.164 1.00 0.00 H new ATOM 940 N LYS A 59 7.297 -3.023 -2.699 1.00 0.00 N ATOM 941 CA LYS A 59 8.506 -2.211 -2.453 1.00 0.00 C ATOM 942 C LYS A 59 9.719 -2.795 -3.190 1.00 0.00 C ATOM 943 O LYS A 59 10.502 -2.052 -3.797 1.00 0.00 O ATOM 944 CB LYS A 59 8.776 -2.141 -0.929 1.00 0.00 C ATOM 945 CG LYS A 59 9.881 -1.155 -0.508 1.00 0.00 C ATOM 946 CD LYS A 59 10.140 -1.199 1.014 1.00 0.00 C ATOM 947 CE LYS A 59 11.155 -0.152 1.479 1.00 0.00 C ATOM 948 NZ LYS A 59 12.499 -0.354 0.880 1.00 0.00 N ATOM 0 H LYS A 59 6.944 -3.490 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 59 8.340 -1.204 -2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.851 -1.864 -0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.045 -3.137 -0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.802 -1.392 -1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.596 -0.144 -0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.199 -1.044 1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.499 -2.191 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.791 0.842 1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.236 -0.188 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.148 0.381 1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.861 -1.291 1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.430 -0.293 -0.156 1.00 0.00 H new ATOM 962 N LYS A 60 9.868 -4.136 -3.125 1.00 0.00 N ATOM 963 CA LYS A 60 10.903 -4.880 -3.862 1.00 0.00 C ATOM 964 C LYS A 60 10.704 -4.745 -5.375 1.00 0.00 C ATOM 965 O LYS A 60 11.665 -4.591 -6.127 1.00 0.00 O ATOM 966 CB LYS A 60 10.854 -6.367 -3.450 1.00 0.00 C ATOM 967 CG LYS A 60 11.952 -7.261 -4.063 1.00 0.00 C ATOM 968 CD LYS A 60 11.892 -8.732 -3.568 1.00 0.00 C ATOM 969 CE LYS A 60 12.229 -8.909 -2.070 1.00 0.00 C ATOM 970 NZ LYS A 60 11.202 -8.344 -1.142 1.00 0.00 N ATOM 0 H LYS A 60 9.268 -4.733 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 60 11.879 -4.463 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.924 -6.428 -2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.881 -6.772 -3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.859 -7.246 -5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.929 -6.843 -3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.893 -9.126 -3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.585 -9.331 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.349 -9.972 -1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.188 -8.433 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.047 -9.003 -0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.534 -7.431 -0.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.309 -8.204 -1.656 1.00 0.00 H new ATOM 984 N GLU A 61 9.432 -4.777 -5.802 1.00 0.00 N ATOM 985 CA GLU A 61 9.056 -4.620 -7.216 1.00 0.00 C ATOM 986 C GLU A 61 8.991 -3.134 -7.614 1.00 0.00 C ATOM 987 O GLU A 61 8.569 -2.807 -8.724 1.00 0.00 O ATOM 988 CB GLU A 61 7.696 -5.320 -7.465 1.00 0.00 C ATOM 989 CG GLU A 61 7.661 -6.805 -7.038 1.00 0.00 C ATOM 990 CD GLU A 61 8.788 -7.655 -7.645 1.00 0.00 C ATOM 991 OE1 GLU A 61 8.713 -7.991 -8.842 1.00 0.00 O ATOM 992 OE2 GLU A 61 9.751 -7.993 -6.922 1.00 0.00 O ATOM 0 H GLU A 61 8.636 -4.912 -5.178 1.00 0.00 H new ATOM 0 HA GLU A 61 9.819 -5.087 -7.838 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.918 -4.780 -6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.454 -5.253 -8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.722 -6.862 -5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.701 -7.233 -7.326 1.00 0.00 H new ATOM 999 N LEU A 62 9.366 -2.249 -6.654 1.00 0.00 N ATOM 1000 CA LEU A 62 9.548 -0.797 -6.854 1.00 0.00 C ATOM 1001 C LEU A 62 8.238 -0.086 -7.259 1.00 0.00 C ATOM 1002 O LEU A 62 8.255 1.070 -7.685 1.00 0.00 O ATOM 1003 CB LEU A 62 10.706 -0.545 -7.866 1.00 0.00 C ATOM 1004 CG LEU A 62 12.069 -1.250 -7.527 1.00 0.00 C ATOM 1005 CD1 LEU A 62 13.117 -1.017 -8.638 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.604 -0.802 -6.148 1.00 0.00 C ATOM 0 H LEU A 62 9.554 -2.540 -5.694 1.00 0.00 H new ATOM 0 HA LEU A 62 9.829 -0.353 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.381 -0.877 -8.852 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.880 0.529 -7.932 1.00 0.00 H new ATOM 0 HG LEU A 62 11.879 -2.322 -7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.047 -1.518 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.745 -1.420 -9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.299 0.052 -8.748 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.548 -1.307 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.763 0.276 -6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.879 -1.059 -5.376 1.00 0.00 H new ATOM 1018 N LYS A 63 7.103 -0.787 -7.066 1.00 0.00 N ATOM 1019 CA LYS A 63 5.757 -0.263 -7.302 1.00 0.00 C ATOM 1020 C LYS A 63 5.378 0.745 -6.215 1.00 0.00 C ATOM 1021 O LYS A 63 4.489 1.571 -6.410 1.00 0.00 O ATOM 1022 CB LYS A 63 4.727 -1.414 -7.333 1.00 0.00 C ATOM 1023 CG LYS A 63 4.920 -2.415 -8.490 1.00 0.00 C ATOM 1024 CD LYS A 63 3.864 -3.545 -8.455 1.00 0.00 C ATOM 1025 CE LYS A 63 3.949 -4.470 -9.675 1.00 0.00 C ATOM 1026 NZ LYS A 63 2.923 -5.544 -9.620 1.00 0.00 N ATOM 0 H LYS A 63 7.104 -1.752 -6.735 1.00 0.00 H new ATOM 0 HA LYS A 63 5.751 0.241 -8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.778 -1.956 -6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.726 -0.987 -7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.856 -1.887 -9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.918 -2.849 -8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.997 -4.134 -7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.868 -3.105 -8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.816 -3.885 -10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.942 -4.917 -9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.343 -6.442 -9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.580 -5.646 -8.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.128 -5.296 -10.243 1.00 0.00 H new ATOM 1040 N VAL A 64 6.031 0.638 -5.047 1.00 0.00 N ATOM 1041 CA VAL A 64 5.920 1.636 -3.968 1.00 0.00 C ATOM 1042 C VAL A 64 7.308 2.036 -3.486 1.00 0.00 C ATOM 1043 O VAL A 64 8.314 1.407 -3.845 1.00 0.00 O ATOM 1044 CB VAL A 64 5.060 1.154 -2.739 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.687 0.665 -3.189 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.784 0.095 -1.885 1.00 0.00 C ATOM 0 H VAL A 64 6.650 -0.141 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 64 5.398 2.490 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 64 4.917 2.022 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.115 0.338 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.157 1.476 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.806 -0.170 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.145 -0.200 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.006 -0.778 -2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.713 0.513 -1.498 1.00 0.00 H new ATOM 1056 N SER A 65 7.331 3.076 -2.663 1.00 0.00 N ATOM 1057 CA SER A 65 8.521 3.544 -1.971 1.00 0.00 C ATOM 1058 C SER A 65 8.150 3.828 -0.512 1.00 0.00 C ATOM 1059 O SER A 65 6.989 4.135 -0.205 1.00 0.00 O ATOM 1060 CB SER A 65 9.067 4.815 -2.656 1.00 0.00 C ATOM 1061 OG SER A 65 10.291 5.233 -2.068 1.00 0.00 O ATOM 0 H SER A 65 6.501 3.630 -2.454 1.00 0.00 H new ATOM 0 HA SER A 65 9.302 2.785 -2.007 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.219 4.622 -3.718 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.332 5.616 -2.579 1.00 0.00 H new ATOM 0 HG SER A 65 10.614 6.039 -2.523 1.00 0.00 H new ATOM 1067 N LEU A 66 9.134 3.730 0.379 1.00 0.00 N ATOM 1068 CA LEU A 66 8.964 4.048 1.795 1.00 0.00 C ATOM 1069 C LEU A 66 9.558 5.445 2.022 1.00 0.00 C ATOM 1070 O LEU A 66 10.786 5.602 2.070 1.00 0.00 O ATOM 1071 CB LEU A 66 9.684 2.994 2.675 1.00 0.00 C ATOM 1072 CG LEU A 66 9.502 3.156 4.215 1.00 0.00 C ATOM 1073 CD1 LEU A 66 8.052 2.846 4.639 1.00 0.00 C ATOM 1074 CD2 LEU A 66 10.520 2.290 4.980 1.00 0.00 C ATOM 0 H LEU A 66 10.077 3.426 0.138 1.00 0.00 H new ATOM 0 HA LEU A 66 7.910 4.034 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.328 2.005 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.750 3.027 2.449 1.00 0.00 H new ATOM 0 HG LEU A 66 9.697 4.197 4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.955 2.967 5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.371 3.531 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.804 1.820 4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.374 2.419 6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.376 1.242 4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.531 2.595 4.712 1.00 0.00 H new ATOM 1086 N THR A 67 8.685 6.452 2.114 1.00 0.00 N ATOM 1087 CA THR A 67 9.097 7.861 2.249 1.00 0.00 C ATOM 1088 C THR A 67 9.446 8.181 3.713 1.00 0.00 C ATOM 1089 O THR A 67 10.447 8.848 4.001 1.00 0.00 O ATOM 1090 CB THR A 67 7.972 8.807 1.734 1.00 0.00 C ATOM 1091 OG1 THR A 67 6.718 8.445 2.341 1.00 0.00 O ATOM 1092 CG2 THR A 67 7.830 8.766 0.208 1.00 0.00 C ATOM 0 H THR A 67 7.674 6.319 2.098 1.00 0.00 H new ATOM 0 HA THR A 67 9.987 8.022 1.641 1.00 0.00 H new ATOM 0 HB THR A 67 8.249 9.824 2.013 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.371 9.205 2.852 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.033 9.442 -0.102 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.768 9.075 -0.253 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.588 7.751 -0.108 1.00 0.00 H new ATOM 1100 N SER A 68 8.627 7.665 4.629 1.00 0.00 N ATOM 1101 CA SER A 68 8.805 7.847 6.071 1.00 0.00 C ATOM 1102 C SER A 68 8.470 6.519 6.789 1.00 0.00 C ATOM 1103 O SER A 68 7.733 5.712 6.235 1.00 0.00 O ATOM 1104 CB SER A 68 7.902 9.016 6.539 1.00 0.00 C ATOM 1105 OG SER A 68 7.985 9.214 7.929 1.00 0.00 O ATOM 0 H SER A 68 7.811 7.102 4.389 1.00 0.00 H new ATOM 0 HA SER A 68 9.836 8.103 6.316 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.194 9.931 6.023 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.868 8.810 6.262 1.00 0.00 H new ATOM 0 HG SER A 68 7.404 9.960 8.188 1.00 0.00 H new ATOM 1111 N PRO A 69 9.068 6.229 7.991 1.00 0.00 N ATOM 1112 CA PRO A 69 8.628 5.111 8.870 1.00 0.00 C ATOM 1113 C PRO A 69 7.092 5.082 9.065 1.00 0.00 C ATOM 1114 O PRO A 69 6.492 6.103 9.434 1.00 0.00 O ATOM 1115 CB PRO A 69 9.373 5.409 10.193 1.00 0.00 C ATOM 1116 CG PRO A 69 10.648 6.063 9.744 1.00 0.00 C ATOM 1117 CD PRO A 69 10.268 6.914 8.548 1.00 0.00 C ATOM 0 HA PRO A 69 8.856 4.129 8.455 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.792 6.066 10.840 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.568 4.497 10.757 1.00 0.00 H new ATOM 0 HG2 PRO A 69 11.077 6.673 10.539 1.00 0.00 H new ATOM 0 HG3 PRO A 69 11.397 5.318 9.474 1.00 0.00 H new ATOM 0 HD2 PRO A 69 10.043 7.939 8.842 1.00 0.00 H new ATOM 0 HD3 PRO A 69 11.076 6.962 7.818 1.00 0.00 H new ATOM 1125 N ALA A 70 6.482 3.918 8.737 1.00 0.00 N ATOM 1126 CA ALA A 70 5.022 3.664 8.824 1.00 0.00 C ATOM 1127 C ALA A 70 4.214 4.462 7.776 1.00 0.00 C ATOM 1128 O ALA A 70 2.984 4.488 7.824 1.00 0.00 O ATOM 1129 CB ALA A 70 4.492 3.912 10.253 1.00 0.00 C ATOM 0 H ALA A 70 7.003 3.110 8.396 1.00 0.00 H new ATOM 0 HA ALA A 70 4.876 2.610 8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.420 3.717 10.282 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.001 3.247 10.950 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.680 4.948 10.536 1.00 0.00 H new ATOM 1135 N THR A 71 4.910 5.102 6.823 1.00 0.00 N ATOM 1136 CA THR A 71 4.290 5.908 5.768 1.00 0.00 C ATOM 1137 C THR A 71 4.838 5.463 4.401 1.00 0.00 C ATOM 1138 O THR A 71 6.043 5.558 4.131 1.00 0.00 O ATOM 1139 CB THR A 71 4.572 7.427 5.988 1.00 0.00 C ATOM 1140 OG1 THR A 71 4.126 7.825 7.294 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.889 8.299 4.922 1.00 0.00 C ATOM 0 H THR A 71 5.928 5.072 6.766 1.00 0.00 H new ATOM 0 HA THR A 71 3.211 5.757 5.799 1.00 0.00 H new ATOM 0 HB THR A 71 5.648 7.575 5.902 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.601 7.101 7.695 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.112 9.349 5.113 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.259 8.024 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.811 8.144 4.961 1.00 0.00 H new ATOM 1149 N TRP A 72 3.937 5.012 3.537 1.00 0.00 N ATOM 1150 CA TRP A 72 4.274 4.481 2.210 1.00 0.00 C ATOM 1151 C TRP A 72 3.854 5.501 1.147 1.00 0.00 C ATOM 1152 O TRP A 72 3.123 6.437 1.440 1.00 0.00 O ATOM 1153 CB TRP A 72 3.560 3.121 2.000 1.00 0.00 C ATOM 1154 CG TRP A 72 3.982 2.070 3.007 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.491 1.884 4.278 1.00 0.00 C ATOM 1156 CD2 TRP A 72 4.995 1.074 2.824 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.141 0.839 4.885 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.066 0.322 4.013 1.00 0.00 C ATOM 1159 CE3 TRP A 72 5.846 0.747 1.767 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 5.952 -0.741 4.168 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 6.721 -0.306 1.920 1.00 0.00 C ATOM 1162 CH2 TRP A 72 6.773 -1.041 3.113 1.00 0.00 C ATOM 0 H TRP A 72 2.937 5.002 3.735 1.00 0.00 H new ATOM 0 HA TRP A 72 5.348 4.314 2.127 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.482 3.268 2.067 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.770 2.758 0.994 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.708 2.474 4.732 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.965 0.501 5.831 1.00 0.00 H new ATOM 0 HE3 TRP A 72 5.819 1.310 0.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 5.991 -1.308 5.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.379 -0.570 1.106 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.473 -1.859 3.202 1.00 0.00 H new ATOM 1173 N CYS A 73 4.324 5.307 -0.077 1.00 0.00 N ATOM 1174 CA CYS A 73 4.008 6.180 -1.218 1.00 0.00 C ATOM 1175 C CYS A 73 4.110 5.363 -2.491 1.00 0.00 C ATOM 1176 O CYS A 73 4.649 4.259 -2.468 1.00 0.00 O ATOM 1177 CB CYS A 73 4.960 7.388 -1.271 1.00 0.00 C ATOM 1178 SG CYS A 73 4.599 8.583 -2.583 1.00 0.00 S ATOM 0 H CYS A 73 4.943 4.533 -0.317 1.00 0.00 H new ATOM 0 HA CYS A 73 2.996 6.570 -1.107 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.925 7.903 -0.311 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.979 7.024 -1.401 1.00 0.00 H new ATOM 0 HG CYS A 73 5.459 9.556 -2.532 1.00 0.00 H new ATOM 1184 N LEU A 74 3.572 5.883 -3.594 1.00 0.00 N ATOM 1185 CA LEU A 74 3.676 5.210 -4.895 1.00 0.00 C ATOM 1186 C LEU A 74 5.125 5.289 -5.421 1.00 0.00 C ATOM 1187 O LEU A 74 5.836 6.265 -5.152 1.00 0.00 O ATOM 1188 CB LEU A 74 2.693 5.821 -5.920 1.00 0.00 C ATOM 1189 CG LEU A 74 2.504 4.984 -7.221 1.00 0.00 C ATOM 1190 CD1 LEU A 74 1.850 3.620 -6.915 1.00 0.00 C ATOM 1191 CD2 LEU A 74 1.709 5.757 -8.269 1.00 0.00 C ATOM 0 H LEU A 74 3.061 6.765 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 74 3.407 4.162 -4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.722 5.947 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.045 6.816 -6.192 1.00 0.00 H new ATOM 0 HG LEU A 74 3.493 4.792 -7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.731 3.058 -7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.484 3.058 -6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.873 3.779 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.595 5.145 -9.164 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.725 6.004 -7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.238 6.676 -8.523 1.00 0.00 H new ATOM 1203 N GLY A 75 5.540 4.252 -6.173 1.00 0.00 N ATOM 1204 CA GLY A 75 6.885 4.160 -6.738 1.00 0.00 C ATOM 1205 C GLY A 75 7.119 5.185 -7.841 1.00 0.00 C ATOM 1206 O GLY A 75 6.878 4.921 -9.023 1.00 0.00 O ATOM 0 H GLY A 75 4.945 3.456 -6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.620 4.307 -5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.042 3.158 -7.137 1.00 0.00 H new