USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.343 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 19 LYS NZ :NH3+ 153:sc= 1.29 (180deg=1.1) USER MOD Single : A 22 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -11:sc= 0.893 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 174:sc= -1.83 (180deg=-2.07!) USER MOD Single : A 38 ASN : amide:sc= 0.658 K(o=0.66,f=-0.019) USER MOD Single : A 40 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.8) USER MOD Single : A 41 CYS SG : rot -107:sc= -0.0841 USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= -0.408 (180deg=-0.775!) USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= -0.0169 (180deg=-0.231) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -0.0123 (180deg=-0.181) USER MOD Single : A 50 SER OG : rot 170:sc= 0.41 USER MOD Single : A 51 SER OG : rot -78:sc= 0.679 USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= -0.0184 (180deg=-0.153) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 162:sc= 0.331 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 69 TYR OH : rot -30:sc= -0.195 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.796 X(o=-0.8,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 12.011 7.203 -1.556 1.00 32.35 N ATOM 220 CA ILE A 15 10.796 6.525 -2.033 1.00 62.14 C ATOM 221 C ILE A 15 9.513 7.249 -1.579 1.00 1.14 C ATOM 222 O ILE A 15 9.339 7.550 -0.393 1.00 3.32 O ATOM 223 CB ILE A 15 10.755 5.054 -1.542 1.00 4.13 C ATOM 224 CG1 ILE A 15 12.001 4.292 -2.031 1.00 53.34 C ATOM 225 CG2 ILE A 15 9.474 4.358 -2.009 1.00 51.10 C ATOM 226 CD1 ILE A 15 12.056 2.844 -1.584 1.00 51.25 C ATOM 0 HA ILE A 15 10.834 6.546 -3.122 1.00 62.14 H new ATOM 0 HB ILE A 15 10.757 5.055 -0.452 1.00 4.13 H new ATOM 0 HG12 ILE A 15 12.030 4.326 -3.120 1.00 53.34 H new ATOM 0 HG13 ILE A 15 12.892 4.806 -1.672 1.00 53.34 H new ATOM 0 HG21 ILE A 15 9.469 3.328 -1.652 1.00 51.10 H new ATOM 0 HG22 ILE A 15 8.607 4.885 -1.610 1.00 51.10 H new ATOM 0 HG23 ILE A 15 9.433 4.365 -3.098 1.00 51.10 H new ATOM 0 HD11 ILE A 15 12.963 2.378 -1.970 1.00 51.25 H new ATOM 0 HD12 ILE A 15 12.060 2.799 -0.495 1.00 51.25 H new ATOM 0 HD13 ILE A 15 11.185 2.312 -1.966 1.00 51.25 H new ATOM 238 N THR A 16 8.621 7.527 -2.533 1.00 20.34 N ATOM 239 CA THR A 16 7.342 8.194 -2.243 1.00 71.13 C ATOM 240 C THR A 16 6.249 7.188 -1.861 1.00 63.30 C ATOM 241 O THR A 16 6.392 5.983 -2.074 1.00 60.32 O ATOM 242 CB THR A 16 6.830 9.015 -3.455 1.00 34.15 C ATOM 243 OG1 THR A 16 6.452 8.139 -4.533 1.00 14.14 O ATOM 244 CG2 THR A 16 7.894 9.989 -3.946 1.00 73.24 C ATOM 0 H THR A 16 8.759 7.301 -3.518 1.00 20.34 H new ATOM 0 HA THR A 16 7.541 8.861 -1.404 1.00 71.13 H new ATOM 0 HB THR A 16 5.959 9.582 -3.126 1.00 34.15 H new ATOM 0 HG1 THR A 16 6.129 8.672 -5.290 1.00 14.14 H new ATOM 0 HG21 THR A 16 7.508 10.551 -4.796 1.00 73.24 H new ATOM 0 HG22 THR A 16 8.154 10.679 -3.143 1.00 73.24 H new ATOM 0 HG23 THR A 16 8.782 9.435 -4.251 1.00 73.24 H new ATOM 252 N LEU A 17 5.148 7.695 -1.306 1.00 14.32 N ATOM 253 CA LEU A 17 3.990 6.857 -0.971 1.00 71.33 C ATOM 254 C LEU A 17 3.449 6.140 -2.218 1.00 2.52 C ATOM 255 O LEU A 17 3.081 4.966 -2.166 1.00 73.24 O ATOM 256 CB LEU A 17 2.882 7.714 -0.337 1.00 32.02 C ATOM 257 CG LEU A 17 1.619 6.953 0.111 1.00 4.31 C ATOM 258 CD1 LEU A 17 1.958 5.905 1.169 1.00 11.30 C ATOM 259 CD2 LEU A 17 0.560 7.925 0.634 1.00 52.45 C ATOM 0 H LEU A 17 5.031 8.682 -1.078 1.00 14.32 H new ATOM 0 HA LEU A 17 4.314 6.102 -0.255 1.00 71.33 H new ATOM 0 HB2 LEU A 17 3.298 8.230 0.528 1.00 32.02 H new ATOM 0 HB3 LEU A 17 2.586 8.480 -1.054 1.00 32.02 H new ATOM 0 HG LEU A 17 1.211 6.436 -0.758 1.00 4.31 H new ATOM 0 HD11 LEU A 17 1.049 5.382 1.468 1.00 11.30 H new ATOM 0 HD12 LEU A 17 2.669 5.189 0.757 1.00 11.30 H new ATOM 0 HD13 LEU A 17 2.398 6.394 2.038 1.00 11.30 H new ATOM 0 HD21 LEU A 17 -0.324 7.368 0.945 1.00 52.45 H new ATOM 0 HD22 LEU A 17 0.960 8.475 1.485 1.00 52.45 H new ATOM 0 HD23 LEU A 17 0.288 8.626 -0.155 1.00 52.45 H new ATOM 271 N GLN A 18 3.415 6.857 -3.340 1.00 14.01 N ATOM 272 CA GLN A 18 2.949 6.294 -4.611 1.00 44.50 C ATOM 273 C GLN A 18 3.855 5.141 -5.078 1.00 35.50 C ATOM 274 O GLN A 18 3.378 4.050 -5.394 1.00 62.42 O ATOM 275 CB GLN A 18 2.893 7.393 -5.681 1.00 61.52 C ATOM 276 CG GLN A 18 2.333 6.918 -7.021 1.00 10.10 C ATOM 277 CD GLN A 18 2.325 8.009 -8.084 1.00 55.44 C ATOM 278 OE1 GLN A 18 2.203 9.190 -7.780 1.00 60.32 O ATOM 279 NE2 GLN A 18 2.454 7.625 -9.338 1.00 72.42 N ATOM 0 H GLN A 18 3.705 7.833 -3.397 1.00 14.01 H new ATOM 0 HA GLN A 18 1.948 5.890 -4.457 1.00 44.50 H new ATOM 0 HB2 GLN A 18 2.280 8.216 -5.312 1.00 61.52 H new ATOM 0 HB3 GLN A 18 3.897 7.788 -5.836 1.00 61.52 H new ATOM 0 HG2 GLN A 18 2.925 6.075 -7.378 1.00 10.10 H new ATOM 0 HG3 GLN A 18 1.316 6.554 -6.875 1.00 10.10 H new ATOM 0 HE21 GLN A 18 2.554 6.635 -9.560 1.00 72.42 H new ATOM 0 HE22 GLN A 18 2.454 8.318 -10.086 1.00 72.42 H new ATOM 288 N LYS A 19 5.165 5.392 -5.107 1.00 23.45 N ATOM 289 CA LYS A 19 6.151 4.367 -5.489 1.00 74.32 C ATOM 290 C LYS A 19 6.066 3.145 -4.555 1.00 75.03 C ATOM 291 O LYS A 19 6.104 1.997 -5.003 1.00 53.32 O ATOM 292 CB LYS A 19 7.567 4.972 -5.458 1.00 2.13 C ATOM 293 CG LYS A 19 8.697 3.971 -5.715 1.00 45.21 C ATOM 294 CD LYS A 19 8.579 3.296 -7.083 1.00 65.13 C ATOM 295 CE LYS A 19 9.746 2.347 -7.340 1.00 42.31 C ATOM 296 NZ LYS A 19 9.575 1.584 -8.601 1.00 2.11 N ATOM 0 H LYS A 19 5.573 6.297 -4.871 1.00 23.45 H new ATOM 0 HA LYS A 19 5.929 4.029 -6.501 1.00 74.32 H new ATOM 0 HB2 LYS A 19 7.625 5.764 -6.204 1.00 2.13 H new ATOM 0 HB3 LYS A 19 7.727 5.438 -4.486 1.00 2.13 H new ATOM 0 HG2 LYS A 19 9.656 4.485 -5.648 1.00 45.21 H new ATOM 0 HG3 LYS A 19 8.688 3.209 -4.935 1.00 45.21 H new ATOM 0 HD2 LYS A 19 7.641 2.744 -7.138 1.00 65.13 H new ATOM 0 HD3 LYS A 19 8.548 4.056 -7.864 1.00 65.13 H new ATOM 0 HE2 LYS A 19 10.674 2.917 -7.384 1.00 42.31 H new ATOM 0 HE3 LYS A 19 9.839 1.652 -6.505 1.00 42.31 H new ATOM 0 HZ1 LYS A 19 10.508 1.322 -8.978 1.00 2.11 H new ATOM 0 HZ2 LYS A 19 9.024 0.722 -8.413 1.00 2.11 H new ATOM 0 HZ3 LYS A 19 9.073 2.172 -9.297 1.00 2.11 H new ATOM 310 N LEU A 20 5.942 3.417 -3.260 1.00 61.24 N ATOM 311 CA LEU A 20 5.800 2.372 -2.239 1.00 24.24 C ATOM 312 C LEU A 20 4.571 1.483 -2.520 1.00 14.45 C ATOM 313 O LEU A 20 4.680 0.254 -2.619 1.00 75.52 O ATOM 314 CB LEU A 20 5.706 3.049 -0.851 1.00 73.42 C ATOM 315 CG LEU A 20 5.704 2.117 0.378 1.00 62.52 C ATOM 316 CD1 LEU A 20 6.210 2.864 1.611 1.00 70.44 C ATOM 317 CD2 LEU A 20 4.308 1.552 0.650 1.00 74.11 C ATOM 0 H LEU A 20 5.937 4.365 -2.884 1.00 61.24 H new ATOM 0 HA LEU A 20 6.670 1.716 -2.261 1.00 24.24 H new ATOM 0 HB2 LEU A 20 6.543 3.740 -0.752 1.00 73.42 H new ATOM 0 HB3 LEU A 20 4.795 3.647 -0.826 1.00 73.42 H new ATOM 0 HG LEU A 20 6.372 1.283 0.162 1.00 62.52 H new ATOM 0 HD11 LEU A 20 6.203 2.194 2.471 1.00 70.44 H new ATOM 0 HD12 LEU A 20 7.227 3.215 1.432 1.00 70.44 H new ATOM 0 HD13 LEU A 20 5.562 3.717 1.811 1.00 70.44 H new ATOM 0 HD21 LEU A 20 4.343 0.900 1.523 1.00 74.11 H new ATOM 0 HD22 LEU A 20 3.614 2.371 0.837 1.00 74.11 H new ATOM 0 HD23 LEU A 20 3.971 0.982 -0.216 1.00 74.11 H new ATOM 329 N LEU A 21 3.407 2.118 -2.659 1.00 63.51 N ATOM 330 CA LEU A 21 2.159 1.405 -2.958 1.00 13.42 C ATOM 331 C LEU A 21 2.258 0.632 -4.284 1.00 52.12 C ATOM 332 O LEU A 21 1.775 -0.494 -4.393 1.00 74.21 O ATOM 333 CB LEU A 21 0.985 2.397 -3.008 1.00 12.53 C ATOM 334 CG LEU A 21 -0.401 1.774 -3.267 1.00 65.41 C ATOM 335 CD1 LEU A 21 -0.775 0.796 -2.154 1.00 75.02 C ATOM 336 CD2 LEU A 21 -1.464 2.865 -3.407 1.00 42.43 C ATOM 0 H LEU A 21 3.300 3.128 -2.569 1.00 63.51 H new ATOM 0 HA LEU A 21 1.985 0.681 -2.162 1.00 13.42 H new ATOM 0 HB2 LEU A 21 0.949 2.939 -2.063 1.00 12.53 H new ATOM 0 HB3 LEU A 21 1.186 3.131 -3.789 1.00 12.53 H new ATOM 0 HG LEU A 21 -0.354 1.218 -4.204 1.00 65.41 H new ATOM 0 HD11 LEU A 21 -1.757 0.370 -2.359 1.00 75.02 H new ATOM 0 HD12 LEU A 21 -0.035 -0.003 -2.108 1.00 75.02 H new ATOM 0 HD13 LEU A 21 -0.800 1.323 -1.200 1.00 75.02 H new ATOM 0 HD21 LEU A 21 -2.435 2.405 -3.589 1.00 42.43 H new ATOM 0 HD22 LEU A 21 -1.507 3.451 -2.489 1.00 42.43 H new ATOM 0 HD23 LEU A 21 -1.209 3.517 -4.242 1.00 42.43 H new ATOM 348 N THR A 22 2.900 1.244 -5.286 1.00 1.50 N ATOM 349 CA THR A 22 3.077 0.610 -6.604 1.00 41.22 C ATOM 350 C THR A 22 3.765 -0.759 -6.483 1.00 31.42 C ATOM 351 O THR A 22 3.243 -1.769 -6.958 1.00 5.12 O ATOM 352 CB THR A 22 3.899 1.508 -7.573 1.00 53.31 C ATOM 353 OG1 THR A 22 3.219 2.755 -7.802 1.00 65.41 O ATOM 354 CG2 THR A 22 4.135 0.810 -8.913 1.00 32.11 C ATOM 0 H THR A 22 3.306 2.177 -5.212 1.00 1.50 H new ATOM 0 HA THR A 22 2.076 0.473 -7.014 1.00 41.22 H new ATOM 0 HB THR A 22 4.864 1.698 -7.103 1.00 53.31 H new ATOM 0 HG1 THR A 22 3.255 3.301 -6.989 1.00 65.41 H new ATOM 0 HG21 THR A 22 4.712 1.464 -9.567 1.00 32.11 H new ATOM 0 HG22 THR A 22 4.685 -0.116 -8.749 1.00 32.11 H new ATOM 0 HG23 THR A 22 3.176 0.584 -9.380 1.00 32.11 H new ATOM 362 N GLU A 23 4.927 -0.786 -5.831 1.00 71.33 N ATOM 363 CA GLU A 23 5.672 -2.037 -5.633 1.00 52.22 C ATOM 364 C GLU A 23 4.806 -3.106 -4.947 1.00 35.40 C ATOM 365 O GLU A 23 4.846 -4.285 -5.309 1.00 32.14 O ATOM 366 CB GLU A 23 6.934 -1.786 -4.796 1.00 2.20 C ATOM 367 CG GLU A 23 7.874 -0.726 -5.370 1.00 32.44 C ATOM 368 CD GLU A 23 8.352 -1.049 -6.779 1.00 4.42 C ATOM 369 OE1 GLU A 23 9.192 -1.961 -6.937 1.00 25.32 O ATOM 370 OE2 GLU A 23 7.894 -0.384 -7.736 1.00 32.11 O ATOM 0 H GLU A 23 5.375 0.039 -5.431 1.00 71.33 H new ATOM 0 HA GLU A 23 5.957 -2.405 -6.619 1.00 52.22 H new ATOM 0 HB2 GLU A 23 6.635 -1.483 -3.792 1.00 2.20 H new ATOM 0 HB3 GLU A 23 7.481 -2.723 -4.696 1.00 2.20 H new ATOM 0 HG2 GLU A 23 7.364 0.237 -5.378 1.00 32.44 H new ATOM 0 HG3 GLU A 23 8.739 -0.623 -4.714 1.00 32.44 H new ATOM 377 N LEU A 24 4.021 -2.688 -3.956 1.00 24.52 N ATOM 378 CA LEU A 24 3.129 -3.604 -3.238 1.00 44.21 C ATOM 379 C LEU A 24 2.009 -4.148 -4.145 1.00 22.53 C ATOM 380 O LEU A 24 1.673 -5.331 -4.084 1.00 70.21 O ATOM 381 CB LEU A 24 2.527 -2.911 -2.011 1.00 21.15 C ATOM 382 CG LEU A 24 3.543 -2.480 -0.940 1.00 55.44 C ATOM 383 CD1 LEU A 24 2.836 -1.869 0.263 1.00 21.30 C ATOM 384 CD2 LEU A 24 4.408 -3.662 -0.512 1.00 5.30 C ATOM 0 H LEU A 24 3.983 -1.722 -3.630 1.00 24.52 H new ATOM 0 HA LEU A 24 3.729 -4.453 -2.912 1.00 44.21 H new ATOM 0 HB2 LEU A 24 1.978 -2.030 -2.344 1.00 21.15 H new ATOM 0 HB3 LEU A 24 1.803 -3.584 -1.552 1.00 21.15 H new ATOM 0 HG LEU A 24 4.192 -1.720 -1.375 1.00 55.44 H new ATOM 0 HD11 LEU A 24 3.575 -1.572 1.007 1.00 21.30 H new ATOM 0 HD12 LEU A 24 2.268 -0.994 -0.054 1.00 21.30 H new ATOM 0 HD13 LEU A 24 2.158 -2.603 0.698 1.00 21.30 H new ATOM 0 HD21 LEU A 24 5.120 -3.336 0.246 1.00 5.30 H new ATOM 0 HD22 LEU A 24 3.774 -4.447 -0.100 1.00 5.30 H new ATOM 0 HD23 LEU A 24 4.949 -4.049 -1.376 1.00 5.30 H new ATOM 396 N VAL A 25 1.439 -3.287 -4.984 1.00 74.11 N ATOM 397 CA VAL A 25 0.381 -3.700 -5.920 1.00 45.34 C ATOM 398 C VAL A 25 0.925 -4.652 -7.003 1.00 34.23 C ATOM 399 O VAL A 25 0.245 -5.592 -7.421 1.00 53.11 O ATOM 400 CB VAL A 25 -0.284 -2.473 -6.599 1.00 43.13 C ATOM 401 CG1 VAL A 25 -1.328 -2.911 -7.631 1.00 4.14 C ATOM 402 CG2 VAL A 25 -0.918 -1.563 -5.549 1.00 74.21 C ATOM 0 H VAL A 25 1.687 -2.299 -5.040 1.00 74.11 H new ATOM 0 HA VAL A 25 -0.369 -4.229 -5.332 1.00 45.34 H new ATOM 0 HB VAL A 25 0.492 -1.915 -7.123 1.00 43.13 H new ATOM 0 HG11 VAL A 25 -1.777 -2.030 -8.090 1.00 4.14 H new ATOM 0 HG12 VAL A 25 -0.848 -3.516 -8.400 1.00 4.14 H new ATOM 0 HG13 VAL A 25 -2.103 -3.498 -7.138 1.00 4.14 H new ATOM 0 HG21 VAL A 25 -1.380 -0.707 -6.041 1.00 74.21 H new ATOM 0 HG22 VAL A 25 -1.677 -2.118 -4.997 1.00 74.21 H new ATOM 0 HG23 VAL A 25 -0.150 -1.214 -4.859 1.00 74.21 H new ATOM 412 N GLU A 26 2.155 -4.398 -7.448 1.00 55.23 N ATOM 413 CA GLU A 26 2.804 -5.235 -8.465 1.00 32.44 C ATOM 414 C GLU A 26 3.234 -6.595 -7.893 1.00 71.44 C ATOM 415 O GLU A 26 3.007 -7.637 -8.510 1.00 1.03 O ATOM 416 CB GLU A 26 4.014 -4.500 -9.069 1.00 12.01 C ATOM 417 CG GLU A 26 3.636 -3.258 -9.874 1.00 65.42 C ATOM 418 CD GLU A 26 2.743 -3.583 -11.066 1.00 75.42 C ATOM 419 OE1 GLU A 26 1.504 -3.604 -10.907 1.00 31.54 O ATOM 420 OE2 GLU A 26 3.279 -3.840 -12.164 1.00 43.32 O ATOM 0 H GLU A 26 2.726 -3.618 -7.121 1.00 55.23 H new ATOM 0 HA GLU A 26 2.074 -5.425 -9.252 1.00 32.44 H new ATOM 0 HB2 GLU A 26 4.690 -4.210 -8.265 1.00 12.01 H new ATOM 0 HB3 GLU A 26 4.562 -5.188 -9.714 1.00 12.01 H new ATOM 0 HG2 GLU A 26 3.124 -2.549 -9.223 1.00 65.42 H new ATOM 0 HG3 GLU A 26 4.543 -2.768 -10.227 1.00 65.42 H new ATOM 427 N HIS A 27 3.852 -6.589 -6.712 1.00 32.12 N ATOM 428 CA HIS A 27 4.303 -7.838 -6.082 1.00 44.21 C ATOM 429 C HIS A 27 3.129 -8.619 -5.470 1.00 13.44 C ATOM 430 O HIS A 27 2.924 -9.792 -5.783 1.00 35.32 O ATOM 431 CB HIS A 27 5.367 -7.561 -5.009 1.00 40.50 C ATOM 432 CG HIS A 27 5.990 -8.807 -4.447 1.00 3.34 C ATOM 433 ND1 HIS A 27 7.123 -9.382 -4.976 1.00 43.35 N ATOM 434 CD2 HIS A 27 5.631 -9.593 -3.404 1.00 73.21 C ATOM 435 CE1 HIS A 27 7.434 -10.460 -4.288 1.00 45.13 C ATOM 436 NE2 HIS A 27 6.546 -10.613 -3.327 1.00 45.33 N ATOM 0 H HIS A 27 4.052 -5.746 -6.174 1.00 32.12 H new ATOM 0 HA HIS A 27 4.747 -8.451 -6.866 1.00 44.21 H new ATOM 0 HB2 HIS A 27 6.149 -6.935 -5.438 1.00 40.50 H new ATOM 0 HB3 HIS A 27 4.913 -6.993 -4.197 1.00 40.50 H new ATOM 0 HD2 HIS A 27 4.782 -9.445 -2.753 1.00 73.21 H new ATOM 0 HE1 HIS A 27 8.275 -11.110 -4.479 1.00 45.13 H new ATOM 0 HE2 HIS A 27 6.540 -11.366 -2.639 1.00 45.33 H new ATOM 445 N TYR A 28 2.364 -7.966 -4.597 1.00 45.20 N ATOM 446 CA TYR A 28 1.229 -8.614 -3.923 1.00 73.24 C ATOM 447 C TYR A 28 -0.050 -8.530 -4.770 1.00 72.24 C ATOM 448 O TYR A 28 -0.504 -9.523 -5.336 1.00 33.42 O ATOM 449 CB TYR A 28 0.973 -7.959 -2.556 1.00 61.51 C ATOM 450 CG TYR A 28 2.117 -8.083 -1.567 1.00 62.15 C ATOM 451 CD1 TYR A 28 3.134 -7.135 -1.523 1.00 70.52 C ATOM 452 CD2 TYR A 28 2.165 -9.138 -0.661 1.00 73.23 C ATOM 453 CE1 TYR A 28 4.164 -7.236 -0.610 1.00 3.35 C ATOM 454 CE2 TYR A 28 3.194 -9.247 0.253 1.00 41.33 C ATOM 455 CZ TYR A 28 4.190 -8.292 0.277 1.00 50.23 C ATOM 456 OH TYR A 28 5.209 -8.390 1.195 1.00 21.31 O ATOM 0 H TYR A 28 2.505 -6.990 -4.337 1.00 45.20 H new ATOM 0 HA TYR A 28 1.488 -9.664 -3.786 1.00 73.24 H new ATOM 0 HB2 TYR A 28 0.757 -6.902 -2.710 1.00 61.51 H new ATOM 0 HB3 TYR A 28 0.081 -8.405 -2.116 1.00 61.51 H new ATOM 0 HD1 TYR A 28 3.117 -6.306 -2.215 1.00 70.52 H new ATOM 0 HD2 TYR A 28 1.384 -9.884 -0.673 1.00 73.23 H new ATOM 0 HE1 TYR A 28 4.946 -6.492 -0.590 1.00 3.35 H new ATOM 0 HE2 TYR A 28 3.219 -10.075 0.946 1.00 41.33 H new ATOM 0 HH TYR A 28 5.078 -9.190 1.745 1.00 21.31 H new ATOM 466 N GLY A 29 -0.605 -7.321 -4.876 1.00 13.44 N ATOM 467 CA GLY A 29 -1.884 -7.125 -5.556 1.00 74.31 C ATOM 468 C GLY A 29 -2.966 -6.598 -4.619 1.00 61.32 C ATOM 469 O GLY A 29 -2.811 -6.641 -3.399 1.00 11.40 O ATOM 0 H GLY A 29 -0.190 -6.468 -4.501 1.00 13.44 H new ATOM 0 HA2 GLY A 29 -1.750 -6.426 -6.382 1.00 74.31 H new ATOM 0 HA3 GLY A 29 -2.211 -8.070 -5.989 1.00 74.31 H new ATOM 473 N TRP A 30 -4.072 -6.121 -5.185 1.00 41.54 N ATOM 474 CA TRP A 30 -5.151 -5.508 -4.396 1.00 65.22 C ATOM 475 C TRP A 30 -5.801 -6.511 -3.426 1.00 12.32 C ATOM 476 O TRP A 30 -6.133 -6.167 -2.286 1.00 41.40 O ATOM 477 CB TRP A 30 -6.217 -4.927 -5.331 1.00 1.11 C ATOM 478 CG TRP A 30 -5.671 -3.892 -6.273 1.00 52.45 C ATOM 479 CD1 TRP A 30 -5.415 -4.042 -7.607 1.00 54.22 C ATOM 480 CD2 TRP A 30 -5.296 -2.549 -5.944 1.00 10.43 C ATOM 481 NE1 TRP A 30 -4.917 -2.872 -8.126 1.00 1.44 N ATOM 482 CE2 TRP A 30 -4.834 -1.942 -7.124 1.00 62.43 C ATOM 483 CE3 TRP A 30 -5.310 -1.799 -4.763 1.00 63.23 C ATOM 484 CZ2 TRP A 30 -4.389 -0.624 -7.160 1.00 25.32 C ATOM 485 CZ3 TRP A 30 -4.867 -0.489 -4.801 1.00 62.31 C ATOM 486 CH2 TRP A 30 -4.416 0.086 -5.992 1.00 14.51 C ATOM 0 H TRP A 30 -4.250 -6.145 -6.189 1.00 41.54 H new ATOM 0 HA TRP A 30 -4.707 -4.711 -3.799 1.00 65.22 H new ATOM 0 HB2 TRP A 30 -6.665 -5.735 -5.909 1.00 1.11 H new ATOM 0 HB3 TRP A 30 -7.013 -4.483 -4.734 1.00 1.11 H new ATOM 0 HD1 TRP A 30 -5.580 -4.948 -8.171 1.00 54.22 H new ATOM 0 HE1 TRP A 30 -4.652 -2.720 -9.099 1.00 1.44 H new ATOM 0 HE3 TRP A 30 -5.660 -2.235 -3.839 1.00 63.23 H new ATOM 0 HZ2 TRP A 30 -4.035 -0.178 -8.078 1.00 25.32 H new ATOM 0 HZ3 TRP A 30 -4.870 0.099 -3.895 1.00 62.31 H new ATOM 0 HH2 TRP A 30 -4.082 1.113 -5.990 1.00 14.51 H new ATOM 497 N GLU A 31 -5.990 -7.745 -3.884 1.00 30.23 N ATOM 498 CA GLU A 31 -6.560 -8.804 -3.045 1.00 52.31 C ATOM 499 C GLU A 31 -5.659 -9.116 -1.841 1.00 12.11 C ATOM 500 O GLU A 31 -6.124 -9.186 -0.702 1.00 71.40 O ATOM 501 CB GLU A 31 -6.791 -10.071 -3.879 1.00 14.13 C ATOM 502 CG GLU A 31 -7.814 -9.891 -4.994 1.00 10.13 C ATOM 503 CD GLU A 31 -9.176 -9.469 -4.467 1.00 61.11 C ATOM 504 OE1 GLU A 31 -9.887 -10.318 -3.894 1.00 24.12 O ATOM 505 OE2 GLU A 31 -9.538 -8.279 -4.599 1.00 22.12 O ATOM 0 H GLU A 31 -5.758 -8.040 -4.832 1.00 30.23 H new ATOM 0 HA GLU A 31 -7.516 -8.449 -2.660 1.00 52.31 H new ATOM 0 HB2 GLU A 31 -5.843 -10.386 -4.315 1.00 14.13 H new ATOM 0 HB3 GLU A 31 -7.122 -10.874 -3.220 1.00 14.13 H new ATOM 0 HG2 GLU A 31 -7.452 -9.142 -5.698 1.00 10.13 H new ATOM 0 HG3 GLU A 31 -7.914 -10.826 -5.546 1.00 10.13 H new ATOM 512 N GLU A 32 -4.368 -9.294 -2.100 1.00 45.22 N ATOM 513 CA GLU A 32 -3.387 -9.549 -1.040 1.00 42.24 C ATOM 514 C GLU A 32 -3.304 -8.370 -0.049 1.00 63.23 C ATOM 515 O GLU A 32 -3.288 -8.567 1.169 1.00 2.34 O ATOM 516 CB GLU A 32 -2.006 -9.826 -1.659 1.00 1.32 C ATOM 517 CG GLU A 32 -1.875 -11.194 -2.339 1.00 62.53 C ATOM 518 CD GLU A 32 -2.948 -11.460 -3.389 1.00 64.44 C ATOM 519 OE1 GLU A 32 -2.941 -10.796 -4.446 1.00 61.01 O ATOM 520 OE2 GLU A 32 -3.806 -12.342 -3.166 1.00 42.11 O ATOM 0 H GLU A 32 -3.971 -9.267 -3.039 1.00 45.22 H new ATOM 0 HA GLU A 32 -3.714 -10.426 -0.482 1.00 42.24 H new ATOM 0 HB2 GLU A 32 -1.788 -9.048 -2.391 1.00 1.32 H new ATOM 0 HB3 GLU A 32 -1.250 -9.749 -0.878 1.00 1.32 H new ATOM 0 HG2 GLU A 32 -0.894 -11.264 -2.809 1.00 62.53 H new ATOM 0 HG3 GLU A 32 -1.921 -11.974 -1.579 1.00 62.53 H new ATOM 527 N LEU A 33 -3.259 -7.144 -0.578 1.00 0.20 N ATOM 528 CA LEU A 33 -3.239 -5.937 0.260 1.00 53.54 C ATOM 529 C LEU A 33 -4.493 -5.849 1.144 1.00 71.22 C ATOM 530 O LEU A 33 -4.400 -5.605 2.345 1.00 23.34 O ATOM 531 CB LEU A 33 -3.126 -4.673 -0.608 1.00 41.12 C ATOM 532 CG LEU A 33 -1.805 -4.520 -1.383 1.00 45.15 C ATOM 533 CD1 LEU A 33 -1.822 -3.256 -2.240 1.00 63.44 C ATOM 534 CD2 LEU A 33 -0.612 -4.509 -0.426 1.00 23.31 C ATOM 0 H LEU A 33 -3.236 -6.959 -1.581 1.00 0.20 H new ATOM 0 HA LEU A 33 -2.365 -6.004 0.907 1.00 53.54 H new ATOM 0 HB2 LEU A 33 -3.949 -4.669 -1.322 1.00 41.12 H new ATOM 0 HB3 LEU A 33 -3.255 -3.800 0.032 1.00 41.12 H new ATOM 0 HG LEU A 33 -1.701 -5.379 -2.046 1.00 45.15 H new ATOM 0 HD11 LEU A 33 -0.878 -3.169 -2.778 1.00 63.44 H new ATOM 0 HD12 LEU A 33 -2.644 -3.312 -2.954 1.00 63.44 H new ATOM 0 HD13 LEU A 33 -1.956 -2.384 -1.600 1.00 63.44 H new ATOM 0 HD21 LEU A 33 0.311 -4.400 -0.996 1.00 23.31 H new ATOM 0 HD22 LEU A 33 -0.710 -3.675 0.268 1.00 23.31 H new ATOM 0 HD23 LEU A 33 -0.585 -5.445 0.133 1.00 23.31 H new ATOM 546 N SER A 34 -5.662 -6.071 0.543 1.00 4.00 N ATOM 547 CA SER A 34 -6.941 -6.026 1.276 1.00 71.34 C ATOM 548 C SER A 34 -7.061 -7.169 2.292 1.00 41.14 C ATOM 549 O SER A 34 -7.860 -7.100 3.229 1.00 43.12 O ATOM 550 CB SER A 34 -8.132 -6.089 0.309 1.00 31.15 C ATOM 551 OG SER A 34 -8.149 -7.308 -0.416 1.00 73.24 O ATOM 0 H SER A 34 -5.757 -6.284 -0.450 1.00 4.00 H new ATOM 0 HA SER A 34 -6.956 -5.079 1.815 1.00 71.34 H new ATOM 0 HB2 SER A 34 -9.062 -5.984 0.868 1.00 31.15 H new ATOM 0 HB3 SER A 34 -8.082 -5.251 -0.387 1.00 31.15 H new ATOM 0 HG SER A 34 -7.304 -7.784 -0.276 1.00 73.24 H new ATOM 557 N TYR A 35 -6.289 -8.232 2.089 1.00 33.31 N ATOM 558 CA TYR A 35 -6.235 -9.342 3.047 1.00 33.11 C ATOM 559 C TYR A 35 -5.451 -8.942 4.308 1.00 22.02 C ATOM 560 O TYR A 35 -5.874 -9.221 5.432 1.00 63.22 O ATOM 561 CB TYR A 35 -5.600 -10.580 2.397 1.00 11.04 C ATOM 562 CG TYR A 35 -5.399 -11.734 3.362 1.00 61.34 C ATOM 563 CD1 TYR A 35 -6.491 -12.397 3.915 1.00 14.13 C ATOM 564 CD2 TYR A 35 -4.121 -12.153 3.732 1.00 5.15 C ATOM 565 CE1 TYR A 35 -6.318 -13.439 4.805 1.00 62.03 C ATOM 566 CE2 TYR A 35 -3.942 -13.194 4.622 1.00 13.12 C ATOM 567 CZ TYR A 35 -5.044 -13.835 5.153 1.00 44.42 C ATOM 568 OH TYR A 35 -4.870 -14.869 6.045 1.00 65.21 O ATOM 0 H TYR A 35 -5.691 -8.353 1.272 1.00 33.31 H new ATOM 0 HA TYR A 35 -7.256 -9.584 3.342 1.00 33.11 H new ATOM 0 HB2 TYR A 35 -6.231 -10.912 1.573 1.00 11.04 H new ATOM 0 HB3 TYR A 35 -4.637 -10.302 1.969 1.00 11.04 H new ATOM 0 HD1 TYR A 35 -7.491 -12.091 3.643 1.00 14.13 H new ATOM 0 HD2 TYR A 35 -3.258 -11.655 3.316 1.00 5.15 H new ATOM 0 HE1 TYR A 35 -7.176 -13.941 5.226 1.00 62.03 H new ATOM 0 HE2 TYR A 35 -2.946 -13.505 4.901 1.00 13.12 H new ATOM 0 HH TYR A 35 -3.912 -15.025 6.183 1.00 65.21 H new ATOM 578 N MET A 36 -4.310 -8.286 4.111 1.00 10.31 N ATOM 579 CA MET A 36 -3.466 -7.831 5.224 1.00 40.14 C ATOM 580 C MET A 36 -4.006 -6.535 5.862 1.00 20.54 C ATOM 581 O MET A 36 -3.760 -6.258 7.038 1.00 30.44 O ATOM 582 CB MET A 36 -2.028 -7.624 4.731 1.00 20.53 C ATOM 583 CG MET A 36 -1.350 -8.913 4.284 1.00 23.31 C ATOM 584 SD MET A 36 0.282 -8.635 3.562 1.00 62.45 S ATOM 585 CE MET A 36 -0.145 -7.719 2.080 1.00 12.41 C ATOM 0 H MET A 36 -3.943 -8.054 3.188 1.00 10.31 H new ATOM 0 HA MET A 36 -3.481 -8.602 5.994 1.00 40.14 H new ATOM 0 HB2 MET A 36 -2.035 -6.919 3.900 1.00 20.53 H new ATOM 0 HB3 MET A 36 -1.440 -7.171 5.529 1.00 20.53 H new ATOM 0 HG2 MET A 36 -1.254 -9.583 5.139 1.00 23.31 H new ATOM 0 HG3 MET A 36 -1.984 -9.417 3.554 1.00 23.31 H new ATOM 0 HE1 MET A 36 0.766 -7.384 1.584 1.00 12.41 H new ATOM 0 HE2 MET A 36 -0.710 -8.362 1.405 1.00 12.41 H new ATOM 0 HE3 MET A 36 -0.751 -6.854 2.349 1.00 12.41 H new ATOM 595 N VAL A 37 -4.727 -5.738 5.072 1.00 45.42 N ATOM 596 CA VAL A 37 -5.368 -4.510 5.564 1.00 1.51 C ATOM 597 C VAL A 37 -6.870 -4.513 5.223 1.00 61.11 C ATOM 598 O VAL A 37 -7.280 -4.093 4.136 1.00 23.11 O ATOM 599 CB VAL A 37 -4.703 -3.239 4.971 1.00 14.14 C ATOM 600 CG1 VAL A 37 -5.278 -1.973 5.608 1.00 72.22 C ATOM 601 CG2 VAL A 37 -3.185 -3.288 5.143 1.00 4.11 C ATOM 0 H VAL A 37 -4.884 -5.920 4.081 1.00 45.42 H new ATOM 0 HA VAL A 37 -5.240 -4.489 6.646 1.00 1.51 H new ATOM 0 HB VAL A 37 -4.924 -3.212 3.904 1.00 14.14 H new ATOM 0 HG11 VAL A 37 -4.795 -1.097 5.175 1.00 72.22 H new ATOM 0 HG12 VAL A 37 -6.351 -1.926 5.420 1.00 72.22 H new ATOM 0 HG13 VAL A 37 -5.098 -1.993 6.683 1.00 72.22 H new ATOM 0 HG21 VAL A 37 -2.742 -2.387 4.720 1.00 4.11 H new ATOM 0 HG22 VAL A 37 -2.941 -3.349 6.204 1.00 4.11 H new ATOM 0 HG23 VAL A 37 -2.789 -4.163 4.629 1.00 4.11 H new ATOM 611 N ASN A 38 -7.685 -5.006 6.153 1.00 63.21 N ATOM 612 CA ASN A 38 -9.126 -5.155 5.921 1.00 2.14 C ATOM 613 C ASN A 38 -9.861 -3.806 6.029 1.00 74.33 C ATOM 614 O ASN A 38 -10.434 -3.477 7.069 1.00 13.43 O ATOM 615 CB ASN A 38 -9.722 -6.166 6.913 1.00 62.53 C ATOM 616 CG ASN A 38 -8.967 -7.489 6.939 1.00 1.13 C ATOM 617 OD1 ASN A 38 -8.897 -8.157 7.965 1.00 34.33 O ATOM 618 ND2 ASN A 38 -8.393 -7.884 5.821 1.00 44.53 N ATOM 0 H ASN A 38 -7.375 -5.310 7.076 1.00 63.21 H new ATOM 0 HA ASN A 38 -9.262 -5.526 4.905 1.00 2.14 H new ATOM 0 HB2 ASN A 38 -9.718 -5.732 7.913 1.00 62.53 H new ATOM 0 HB3 ASN A 38 -10.763 -6.353 6.651 1.00 62.53 H new ATOM 0 HD21 ASN A 38 -7.876 -8.763 5.796 1.00 44.53 H new ATOM 0 HD22 ASN A 38 -8.465 -7.311 4.980 1.00 44.53 H new ATOM 625 N ILE A 39 -9.822 -3.017 4.954 1.00 54.42 N ATOM 626 CA ILE A 39 -10.493 -1.707 4.917 1.00 24.21 C ATOM 627 C ILE A 39 -11.280 -1.502 3.615 1.00 20.34 C ATOM 628 O ILE A 39 -10.999 -2.137 2.593 1.00 3.44 O ATOM 629 CB ILE A 39 -9.480 -0.539 5.066 1.00 43.55 C ATOM 630 CG1 ILE A 39 -8.413 -0.603 3.956 1.00 43.42 C ATOM 631 CG2 ILE A 39 -8.833 -0.562 6.449 1.00 4.54 C ATOM 632 CD1 ILE A 39 -7.423 0.545 3.982 1.00 41.51 C ATOM 0 H ILE A 39 -9.332 -3.259 4.093 1.00 54.42 H new ATOM 0 HA ILE A 39 -11.183 -1.702 5.760 1.00 24.21 H new ATOM 0 HB ILE A 39 -10.020 0.402 4.962 1.00 43.55 H new ATOM 0 HG12 ILE A 39 -7.867 -1.542 4.046 1.00 43.42 H new ATOM 0 HG13 ILE A 39 -8.912 -0.616 2.987 1.00 43.42 H new ATOM 0 HG21 ILE A 39 -8.127 0.264 6.534 1.00 4.54 H new ATOM 0 HG22 ILE A 39 -9.604 -0.460 7.213 1.00 4.54 H new ATOM 0 HG23 ILE A 39 -8.306 -1.506 6.589 1.00 4.54 H new ATOM 0 HD11 ILE A 39 -6.706 0.426 3.170 1.00 41.51 H new ATOM 0 HD12 ILE A 39 -7.956 1.488 3.860 1.00 41.51 H new ATOM 0 HD13 ILE A 39 -6.894 0.548 4.935 1.00 41.51 H new ATOM 644 N ASN A 40 -12.258 -0.598 3.652 1.00 43.31 N ATOM 645 CA ASN A 40 -13.051 -0.262 2.466 1.00 12.52 C ATOM 646 C ASN A 40 -12.242 0.612 1.482 1.00 22.51 C ATOM 647 O ASN A 40 -12.481 1.812 1.345 1.00 42.45 O ATOM 648 CB ASN A 40 -14.352 0.446 2.886 1.00 12.33 C ATOM 649 CG ASN A 40 -15.231 0.822 1.707 1.00 64.31 C ATOM 650 OD1 ASN A 40 -15.204 0.178 0.664 1.00 34.12 O ATOM 651 ND2 ASN A 40 -16.026 1.862 1.867 1.00 14.12 N ATOM 0 H ASN A 40 -12.522 -0.083 4.492 1.00 43.31 H new ATOM 0 HA ASN A 40 -13.306 -1.187 1.949 1.00 12.52 H new ATOM 0 HB2 ASN A 40 -14.913 -0.205 3.557 1.00 12.33 H new ATOM 0 HB3 ASN A 40 -14.104 1.346 3.448 1.00 12.33 H new ATOM 0 HD21 ASN A 40 -16.644 2.153 1.109 1.00 14.12 H new ATOM 0 HD22 ASN A 40 -16.023 2.375 2.748 1.00 14.12 H new ATOM 658 N CYS A 41 -11.253 0.004 0.828 1.00 1.22 N ATOM 659 CA CYS A 41 -10.428 0.708 -0.173 1.00 32.45 C ATOM 660 C CYS A 41 -10.021 -0.231 -1.319 1.00 4.11 C ATOM 661 O CYS A 41 -10.521 -0.121 -2.437 1.00 30.31 O ATOM 662 CB CYS A 41 -9.174 1.297 0.492 1.00 63.41 C ATOM 663 SG CYS A 41 -8.055 2.140 -0.651 1.00 20.31 S ATOM 0 H CYS A 41 -10.998 -0.974 0.968 1.00 1.22 H new ATOM 0 HA CYS A 41 -11.027 1.517 -0.592 1.00 32.45 H new ATOM 0 HB2 CYS A 41 -9.483 2.000 1.265 1.00 63.41 H new ATOM 0 HB3 CYS A 41 -8.630 0.495 0.990 1.00 63.41 H new ATOM 0 HG CYS A 41 -6.990 1.416 -0.829 1.00 20.31 H new ATOM 669 N PHE A 42 -9.151 -1.198 -1.016 1.00 71.34 N ATOM 670 CA PHE A 42 -8.615 -2.121 -2.034 1.00 31.24 C ATOM 671 C PHE A 42 -9.660 -3.178 -2.466 1.00 4.34 C ATOM 672 O PHE A 42 -9.335 -4.147 -3.157 1.00 72.52 O ATOM 673 CB PHE A 42 -7.358 -2.825 -1.490 1.00 22.43 C ATOM 674 CG PHE A 42 -6.386 -1.903 -0.794 1.00 4.51 C ATOM 675 CD1 PHE A 42 -5.760 -0.876 -1.484 1.00 14.31 C ATOM 676 CD2 PHE A 42 -6.094 -2.071 0.553 1.00 32.53 C ATOM 677 CE1 PHE A 42 -4.868 -0.036 -0.849 1.00 32.12 C ATOM 678 CE2 PHE A 42 -5.205 -1.233 1.194 1.00 41.43 C ATOM 679 CZ PHE A 42 -4.590 -0.214 0.494 1.00 44.30 C ATOM 0 H PHE A 42 -8.799 -1.367 -0.074 1.00 71.34 H new ATOM 0 HA PHE A 42 -8.359 -1.530 -2.913 1.00 31.24 H new ATOM 0 HB2 PHE A 42 -7.665 -3.605 -0.793 1.00 22.43 H new ATOM 0 HB3 PHE A 42 -6.846 -3.319 -2.316 1.00 22.43 H new ATOM 0 HD1 PHE A 42 -5.973 -0.731 -2.533 1.00 14.31 H new ATOM 0 HD2 PHE A 42 -6.569 -2.868 1.106 1.00 32.53 H new ATOM 0 HE1 PHE A 42 -4.388 0.759 -1.400 1.00 32.12 H new ATOM 0 HE2 PHE A 42 -4.990 -1.374 2.243 1.00 41.43 H new ATOM 0 HZ PHE A 42 -3.893 0.443 0.994 1.00 44.30 H new ATOM 689 N LYS A 43 -10.915 -2.980 -2.059 1.00 13.12 N ATOM 690 CA LYS A 43 -12.000 -3.928 -2.354 1.00 54.25 C ATOM 691 C LYS A 43 -13.108 -3.281 -3.198 1.00 54.31 C ATOM 692 O LYS A 43 -13.393 -3.719 -4.316 1.00 65.01 O ATOM 693 CB LYS A 43 -12.599 -4.460 -1.037 1.00 21.13 C ATOM 694 CG LYS A 43 -11.634 -5.289 -0.177 1.00 30.20 C ATOM 695 CD LYS A 43 -11.637 -6.779 -0.542 1.00 50.22 C ATOM 696 CE LYS A 43 -11.110 -7.059 -1.947 1.00 73.24 C ATOM 697 NZ LYS A 43 -11.184 -8.504 -2.288 1.00 14.35 N ATOM 0 H LYS A 43 -11.210 -2.166 -1.520 1.00 13.12 H new ATOM 0 HA LYS A 43 -11.575 -4.750 -2.930 1.00 54.25 H new ATOM 0 HB2 LYS A 43 -12.953 -3.614 -0.448 1.00 21.13 H new ATOM 0 HB3 LYS A 43 -13.470 -5.071 -1.272 1.00 21.13 H new ATOM 0 HG2 LYS A 43 -10.624 -4.895 -0.290 1.00 30.20 H new ATOM 0 HG3 LYS A 43 -11.904 -5.177 0.873 1.00 30.20 H new ATOM 0 HD2 LYS A 43 -11.030 -7.324 0.181 1.00 50.22 H new ATOM 0 HD3 LYS A 43 -12.653 -7.164 -0.460 1.00 50.22 H new ATOM 0 HE2 LYS A 43 -11.686 -6.485 -2.672 1.00 73.24 H new ATOM 0 HE3 LYS A 43 -10.077 -6.721 -2.021 1.00 73.24 H new ATOM 0 HZ1 LYS A 43 -11.097 -8.623 -3.318 1.00 14.35 H new ATOM 0 HZ2 LYS A 43 -10.410 -9.013 -1.814 1.00 14.35 H new ATOM 0 HZ3 LYS A 43 -12.097 -8.889 -1.971 1.00 14.35 H new ATOM 711 N LYS A 44 -13.728 -2.237 -2.654 1.00 13.54 N ATOM 712 CA LYS A 44 -14.852 -1.560 -3.315 1.00 44.22 C ATOM 713 C LYS A 44 -14.409 -0.831 -4.591 1.00 33.44 C ATOM 714 O LYS A 44 -15.107 -0.846 -5.611 1.00 41.45 O ATOM 715 CB LYS A 44 -15.507 -0.575 -2.337 1.00 40.25 C ATOM 716 CG LYS A 44 -16.788 0.074 -2.858 1.00 1.05 C ATOM 717 CD LYS A 44 -17.396 1.019 -1.825 1.00 52.13 C ATOM 718 CE LYS A 44 -18.726 1.597 -2.293 1.00 61.11 C ATOM 719 NZ LYS A 44 -19.751 0.540 -2.508 1.00 2.12 N ATOM 0 H LYS A 44 -13.473 -1.836 -1.752 1.00 13.54 H new ATOM 0 HA LYS A 44 -15.577 -2.318 -3.611 1.00 44.22 H new ATOM 0 HB2 LYS A 44 -15.732 -1.099 -1.408 1.00 40.25 H new ATOM 0 HB3 LYS A 44 -14.789 0.209 -2.095 1.00 40.25 H new ATOM 0 HG2 LYS A 44 -16.572 0.624 -3.774 1.00 1.05 H new ATOM 0 HG3 LYS A 44 -17.511 -0.700 -3.115 1.00 1.05 H new ATOM 0 HD2 LYS A 44 -17.543 0.484 -0.887 1.00 52.13 H new ATOM 0 HD3 LYS A 44 -16.699 1.832 -1.622 1.00 52.13 H new ATOM 0 HE2 LYS A 44 -19.091 2.310 -1.554 1.00 61.11 H new ATOM 0 HE3 LYS A 44 -18.575 2.149 -3.221 1.00 61.11 H new ATOM 0 HZ1 LYS A 44 -20.688 0.980 -2.609 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 -19.524 0.007 -3.372 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 -19.759 -0.107 -1.694 1.00 2.12 H new ATOM 733 N ASP A 45 -13.249 -0.198 -4.532 1.00 3.44 N ATOM 734 CA ASP A 45 -12.708 0.533 -5.681 1.00 50.02 C ATOM 735 C ASP A 45 -11.170 0.414 -5.734 1.00 55.55 C ATOM 736 O ASP A 45 -10.443 1.332 -5.341 1.00 41.00 O ATOM 737 CB ASP A 45 -13.146 2.002 -5.608 1.00 11.12 C ATOM 738 CG ASP A 45 -13.007 2.721 -6.937 1.00 41.23 C ATOM 739 OD1 ASP A 45 -13.830 2.460 -7.842 1.00 64.43 O ATOM 740 OD2 ASP A 45 -12.095 3.557 -7.083 1.00 42.23 O ATOM 0 H ASP A 45 -12.658 -0.172 -3.701 1.00 3.44 H new ATOM 0 HA ASP A 45 -13.101 0.094 -6.598 1.00 50.02 H new ATOM 0 HB2 ASP A 45 -14.184 2.051 -5.280 1.00 11.12 H new ATOM 0 HB3 ASP A 45 -12.549 2.518 -4.856 1.00 11.12 H new ATOM 745 N PRO A 46 -10.653 -0.738 -6.210 1.00 32.43 N ATOM 746 CA PRO A 46 -9.205 -1.005 -6.261 1.00 53.45 C ATOM 747 C PRO A 46 -8.480 -0.234 -7.385 1.00 64.31 C ATOM 748 O PRO A 46 -8.241 -0.763 -8.477 1.00 10.24 O ATOM 749 CB PRO A 46 -9.143 -2.521 -6.493 1.00 71.14 C ATOM 750 CG PRO A 46 -10.403 -2.841 -7.228 1.00 64.32 C ATOM 751 CD PRO A 46 -11.445 -1.874 -6.725 1.00 55.53 C ATOM 0 HA PRO A 46 -8.697 -0.675 -5.354 1.00 53.45 H new ATOM 0 HB2 PRO A 46 -8.264 -2.797 -7.075 1.00 71.14 H new ATOM 0 HB3 PRO A 46 -9.085 -3.064 -5.550 1.00 71.14 H new ATOM 0 HG2 PRO A 46 -10.263 -2.736 -8.304 1.00 64.32 H new ATOM 0 HG3 PRO A 46 -10.709 -3.871 -7.045 1.00 64.32 H new ATOM 0 HD2 PRO A 46 -12.120 -1.562 -7.523 1.00 55.53 H new ATOM 0 HD3 PRO A 46 -12.060 -2.320 -5.943 1.00 55.53 H new ATOM 759 N SER A 47 -8.144 1.026 -7.107 1.00 64.42 N ATOM 760 CA SER A 47 -7.426 1.883 -8.062 1.00 51.11 C ATOM 761 C SER A 47 -6.263 2.611 -7.387 1.00 64.30 C ATOM 762 O SER A 47 -6.357 2.989 -6.221 1.00 45.12 O ATOM 763 CB SER A 47 -8.381 2.917 -8.676 1.00 73.33 C ATOM 764 OG SER A 47 -7.673 3.901 -9.419 1.00 2.11 O ATOM 0 H SER A 47 -8.358 1.483 -6.221 1.00 64.42 H new ATOM 0 HA SER A 47 -7.029 1.239 -8.847 1.00 51.11 H new ATOM 0 HB2 SER A 47 -9.096 2.413 -9.326 1.00 73.33 H new ATOM 0 HB3 SER A 47 -8.955 3.400 -7.885 1.00 73.33 H new ATOM 0 HG SER A 47 -8.308 4.544 -9.799 1.00 2.11 H new ATOM 770 N ILE A 48 -5.161 2.800 -8.116 1.00 24.24 N ATOM 771 CA ILE A 48 -4.012 3.556 -7.598 1.00 5.54 C ATOM 772 C ILE A 48 -4.423 4.992 -7.239 1.00 61.33 C ATOM 773 O ILE A 48 -4.175 5.465 -6.130 1.00 33.10 O ATOM 774 CB ILE A 48 -2.843 3.599 -8.621 1.00 52.42 C ATOM 775 CG1 ILE A 48 -2.286 2.185 -8.870 1.00 50.02 C ATOM 776 CG2 ILE A 48 -1.732 4.541 -8.147 1.00 44.44 C ATOM 777 CD1 ILE A 48 -1.620 1.561 -7.656 1.00 3.52 C ATOM 0 H ILE A 48 -5.037 2.443 -9.063 1.00 24.24 H new ATOM 0 HA ILE A 48 -3.669 3.039 -6.702 1.00 5.54 H new ATOM 0 HB ILE A 48 -3.234 3.985 -9.562 1.00 52.42 H new ATOM 0 HG12 ILE A 48 -3.099 1.538 -9.198 1.00 50.02 H new ATOM 0 HG13 ILE A 48 -1.564 2.228 -9.686 1.00 50.02 H new ATOM 0 HG21 ILE A 48 -0.927 4.552 -8.881 1.00 44.44 H new ATOM 0 HG22 ILE A 48 -2.133 5.548 -8.033 1.00 44.44 H new ATOM 0 HG23 ILE A 48 -1.345 4.194 -7.189 1.00 44.44 H new ATOM 0 HD11 ILE A 48 -1.254 0.567 -7.913 1.00 3.52 H new ATOM 0 HD12 ILE A 48 -0.784 2.185 -7.339 1.00 3.52 H new ATOM 0 HD13 ILE A 48 -2.343 1.483 -6.844 1.00 3.52 H new ATOM 789 N LYS A 49 -5.076 5.661 -8.180 1.00 62.31 N ATOM 790 CA LYS A 49 -5.539 7.036 -7.980 1.00 71.02 C ATOM 791 C LYS A 49 -6.537 7.131 -6.811 1.00 12.25 C ATOM 792 O LYS A 49 -6.382 7.959 -5.912 1.00 43.51 O ATOM 793 CB LYS A 49 -6.169 7.555 -9.284 1.00 51.22 C ATOM 794 CG LYS A 49 -6.774 8.954 -9.186 1.00 42.04 C ATOM 795 CD LYS A 49 -7.156 9.497 -10.563 1.00 61.44 C ATOM 796 CE LYS A 49 -7.938 10.801 -10.461 1.00 12.20 C ATOM 797 NZ LYS A 49 -9.286 10.586 -9.874 1.00 11.40 N ATOM 0 H LYS A 49 -5.300 5.274 -9.097 1.00 62.31 H new ATOM 0 HA LYS A 49 -4.683 7.659 -7.720 1.00 71.02 H new ATOM 0 HB2 LYS A 49 -5.408 7.557 -10.064 1.00 51.22 H new ATOM 0 HB3 LYS A 49 -6.946 6.859 -9.599 1.00 51.22 H new ATOM 0 HG2 LYS A 49 -7.657 8.926 -8.547 1.00 42.04 H new ATOM 0 HG3 LYS A 49 -6.060 9.628 -8.713 1.00 42.04 H new ATOM 0 HD2 LYS A 49 -6.254 9.660 -11.153 1.00 61.44 H new ATOM 0 HD3 LYS A 49 -7.754 8.755 -11.093 1.00 61.44 H new ATOM 0 HE2 LYS A 49 -7.383 11.512 -9.849 1.00 12.20 H new ATOM 0 HE3 LYS A 49 -8.038 11.244 -11.452 1.00 12.20 H new ATOM 0 HZ1 LYS A 49 -9.873 11.429 -10.034 1.00 11.40 H new ATOM 0 HZ2 LYS A 49 -9.733 9.762 -10.324 1.00 11.40 H new ATOM 0 HZ3 LYS A 49 -9.196 10.416 -8.852 1.00 11.40 H new ATOM 811 N SER A 50 -7.544 6.261 -6.822 1.00 0.31 N ATOM 812 CA SER A 50 -8.582 6.243 -5.774 1.00 55.44 C ATOM 813 C SER A 50 -8.004 5.918 -4.386 1.00 61.53 C ATOM 814 O SER A 50 -8.350 6.564 -3.390 1.00 55.02 O ATOM 815 CB SER A 50 -9.668 5.221 -6.127 1.00 71.03 C ATOM 816 OG SER A 50 -10.687 5.166 -5.138 1.00 21.44 O ATOM 0 H SER A 50 -7.670 5.553 -7.545 1.00 0.31 H new ATOM 0 HA SER A 50 -9.011 7.244 -5.730 1.00 55.44 H new ATOM 0 HB2 SER A 50 -10.110 5.479 -7.089 1.00 71.03 H new ATOM 0 HB3 SER A 50 -9.216 4.235 -6.238 1.00 71.03 H new ATOM 0 HG SER A 50 -11.439 4.634 -5.473 1.00 21.44 H new ATOM 822 N SER A 51 -7.121 4.921 -4.324 1.00 22.01 N ATOM 823 CA SER A 51 -6.512 4.499 -3.052 1.00 62.24 C ATOM 824 C SER A 51 -5.668 5.622 -2.440 1.00 42.32 C ATOM 825 O SER A 51 -5.760 5.891 -1.243 1.00 13.14 O ATOM 826 CB SER A 51 -5.647 3.243 -3.246 1.00 15.23 C ATOM 827 OG SER A 51 -4.581 3.487 -4.148 1.00 23.44 O ATOM 0 H SER A 51 -6.809 4.388 -5.136 1.00 22.01 H new ATOM 0 HA SER A 51 -7.325 4.264 -2.365 1.00 62.24 H new ATOM 0 HB2 SER A 51 -5.246 2.922 -2.284 1.00 15.23 H new ATOM 0 HB3 SER A 51 -6.265 2.428 -3.622 1.00 15.23 H new ATOM 0 HG SER A 51 -4.918 3.461 -5.068 1.00 23.44 H new ATOM 833 N LEU A 52 -4.848 6.281 -3.267 1.00 5.41 N ATOM 834 CA LEU A 52 -4.058 7.435 -2.814 1.00 71.03 C ATOM 835 C LEU A 52 -4.948 8.488 -2.137 1.00 62.24 C ATOM 836 O LEU A 52 -4.619 8.982 -1.057 1.00 52.32 O ATOM 837 CB LEU A 52 -3.290 8.068 -3.986 1.00 72.11 C ATOM 838 CG LEU A 52 -2.152 7.211 -4.571 1.00 30.35 C ATOM 839 CD1 LEU A 52 -1.496 7.917 -5.756 1.00 55.11 C ATOM 840 CD2 LEU A 52 -1.113 6.882 -3.497 1.00 42.12 C ATOM 0 H LEU A 52 -4.714 6.038 -4.248 1.00 5.41 H new ATOM 0 HA LEU A 52 -3.339 7.071 -2.080 1.00 71.03 H new ATOM 0 HB2 LEU A 52 -3.999 8.293 -4.783 1.00 72.11 H new ATOM 0 HB3 LEU A 52 -2.872 9.018 -3.653 1.00 72.11 H new ATOM 0 HG LEU A 52 -2.582 6.275 -4.927 1.00 30.35 H new ATOM 0 HD11 LEU A 52 -0.695 7.293 -6.153 1.00 55.11 H new ATOM 0 HD12 LEU A 52 -2.240 8.091 -6.533 1.00 55.11 H new ATOM 0 HD13 LEU A 52 -1.084 8.871 -5.428 1.00 55.11 H new ATOM 0 HD21 LEU A 52 -0.319 6.276 -3.933 1.00 42.12 H new ATOM 0 HD22 LEU A 52 -0.690 7.807 -3.104 1.00 42.12 H new ATOM 0 HD23 LEU A 52 -1.589 6.328 -2.688 1.00 42.12 H new ATOM 852 N LYS A 53 -6.077 8.820 -2.775 1.00 22.42 N ATOM 853 CA LYS A 53 -7.068 9.734 -2.184 1.00 60.20 C ATOM 854 C LYS A 53 -7.508 9.252 -0.790 1.00 54.34 C ATOM 855 O LYS A 53 -7.526 10.023 0.170 1.00 32.24 O ATOM 856 CB LYS A 53 -8.303 9.864 -3.102 1.00 43.31 C ATOM 857 CG LYS A 53 -8.206 10.962 -4.163 1.00 11.42 C ATOM 858 CD LYS A 53 -6.967 10.825 -5.042 1.00 53.11 C ATOM 859 CE LYS A 53 -6.958 11.853 -6.172 1.00 14.43 C ATOM 860 NZ LYS A 53 -7.034 13.247 -5.661 1.00 40.14 N ATOM 0 H LYS A 53 -6.329 8.471 -3.700 1.00 22.42 H new ATOM 0 HA LYS A 53 -6.594 10.710 -2.080 1.00 60.20 H new ATOM 0 HB2 LYS A 53 -8.468 8.910 -3.602 1.00 43.31 H new ATOM 0 HB3 LYS A 53 -9.179 10.054 -2.482 1.00 43.31 H new ATOM 0 HG2 LYS A 53 -9.097 10.934 -4.791 1.00 11.42 H new ATOM 0 HG3 LYS A 53 -8.192 11.935 -3.672 1.00 11.42 H new ATOM 0 HD2 LYS A 53 -6.072 10.948 -4.431 1.00 53.11 H new ATOM 0 HD3 LYS A 53 -6.930 9.821 -5.464 1.00 53.11 H new ATOM 0 HE2 LYS A 53 -6.050 11.733 -6.763 1.00 14.43 H new ATOM 0 HE3 LYS A 53 -7.800 11.665 -6.839 1.00 14.43 H new ATOM 0 HZ1 LYS A 53 -6.872 13.913 -6.443 1.00 40.14 H new ATOM 0 HZ2 LYS A 53 -7.975 13.416 -5.251 1.00 40.14 H new ATOM 0 HZ3 LYS A 53 -6.308 13.389 -4.930 1.00 40.14 H new ATOM 874 N PHE A 54 -7.851 7.968 -0.691 1.00 41.01 N ATOM 875 CA PHE A 54 -8.270 7.370 0.582 1.00 61.34 C ATOM 876 C PHE A 54 -7.157 7.470 1.641 1.00 73.35 C ATOM 877 O PHE A 54 -7.421 7.751 2.811 1.00 75.44 O ATOM 878 CB PHE A 54 -8.670 5.901 0.367 1.00 41.01 C ATOM 879 CG PHE A 54 -9.232 5.233 1.599 1.00 21.42 C ATOM 880 CD1 PHE A 54 -10.570 5.389 1.937 1.00 22.22 C ATOM 881 CD2 PHE A 54 -8.430 4.444 2.413 1.00 73.50 C ATOM 882 CE1 PHE A 54 -11.092 4.776 3.057 1.00 71.54 C ATOM 883 CE2 PHE A 54 -8.948 3.829 3.536 1.00 44.33 C ATOM 884 CZ PHE A 54 -10.283 3.994 3.858 1.00 32.31 C ATOM 0 H PHE A 54 -7.848 7.318 -1.477 1.00 41.01 H new ATOM 0 HA PHE A 54 -9.132 7.926 0.950 1.00 61.34 H new ATOM 0 HB2 PHE A 54 -9.410 5.849 -0.432 1.00 41.01 H new ATOM 0 HB3 PHE A 54 -7.797 5.343 0.029 1.00 41.01 H new ATOM 0 HD1 PHE A 54 -11.210 5.998 1.315 1.00 22.22 H new ATOM 0 HD2 PHE A 54 -7.388 4.309 2.165 1.00 73.50 H new ATOM 0 HE1 PHE A 54 -12.134 4.908 3.308 1.00 71.54 H new ATOM 0 HE2 PHE A 54 -8.312 3.220 4.162 1.00 44.33 H new ATOM 0 HZ PHE A 54 -10.692 3.512 4.734 1.00 32.31 H new ATOM 894 N LEU A 55 -5.911 7.250 1.216 1.00 12.35 N ATOM 895 CA LEU A 55 -4.748 7.349 2.112 1.00 52.22 C ATOM 896 C LEU A 55 -4.576 8.774 2.669 1.00 33.51 C ATOM 897 O LEU A 55 -4.032 8.963 3.759 1.00 50.33 O ATOM 898 CB LEU A 55 -3.471 6.920 1.373 1.00 32.13 C ATOM 899 CG LEU A 55 -3.428 5.449 0.916 1.00 52.44 C ATOM 900 CD1 LEU A 55 -2.143 5.156 0.142 1.00 62.04 C ATOM 901 CD2 LEU A 55 -3.565 4.512 2.115 1.00 52.21 C ATOM 0 H LEU A 55 -5.677 7.001 0.255 1.00 12.35 H new ATOM 0 HA LEU A 55 -4.924 6.679 2.954 1.00 52.22 H new ATOM 0 HB2 LEU A 55 -3.348 7.557 0.497 1.00 32.13 H new ATOM 0 HB3 LEU A 55 -2.617 7.105 2.024 1.00 32.13 H new ATOM 0 HG LEU A 55 -4.270 5.275 0.246 1.00 52.44 H new ATOM 0 HD11 LEU A 55 -2.136 4.112 -0.170 1.00 62.04 H new ATOM 0 HD12 LEU A 55 -2.094 5.798 -0.738 1.00 62.04 H new ATOM 0 HD13 LEU A 55 -1.281 5.350 0.781 1.00 62.04 H new ATOM 0 HD21 LEU A 55 -3.533 3.477 1.774 1.00 52.21 H new ATOM 0 HD22 LEU A 55 -2.746 4.690 2.812 1.00 52.21 H new ATOM 0 HD23 LEU A 55 -4.515 4.699 2.616 1.00 52.21 H new ATOM 913 N ARG A 56 -5.036 9.774 1.915 1.00 30.02 N ATOM 914 CA ARG A 56 -4.983 11.171 2.374 1.00 14.24 C ATOM 915 C ARG A 56 -6.014 11.415 3.486 1.00 54.53 C ATOM 916 O ARG A 56 -5.813 12.254 4.363 1.00 3.13 O ATOM 917 CB ARG A 56 -5.241 12.138 1.205 1.00 2.31 C ATOM 918 CG ARG A 56 -4.472 11.789 -0.065 1.00 3.21 C ATOM 919 CD ARG A 56 -2.965 11.715 0.167 1.00 23.44 C ATOM 920 NE ARG A 56 -2.300 10.914 -0.864 1.00 70.14 N ATOM 921 CZ ARG A 56 -1.087 11.126 -1.300 1.00 53.53 C ATOM 922 NH1 ARG A 56 -0.395 12.126 -0.862 1.00 52.13 N ATOM 923 NH2 ARG A 56 -0.573 10.330 -2.182 1.00 33.12 N ATOM 0 H ARG A 56 -5.447 9.649 0.990 1.00 30.02 H new ATOM 0 HA ARG A 56 -3.985 11.356 2.771 1.00 14.24 H new ATOM 0 HB2 ARG A 56 -6.308 12.146 0.982 1.00 2.31 H new ATOM 0 HB3 ARG A 56 -4.972 13.148 1.515 1.00 2.31 H new ATOM 0 HG2 ARG A 56 -4.825 10.832 -0.448 1.00 3.21 H new ATOM 0 HG3 ARG A 56 -4.682 12.536 -0.830 1.00 3.21 H new ATOM 0 HD2 ARG A 56 -2.547 12.722 0.172 1.00 23.44 H new ATOM 0 HD3 ARG A 56 -2.768 11.283 1.148 1.00 23.44 H new ATOM 0 HE ARG A 56 -2.821 10.136 -1.270 1.00 70.14 H new ATOM 0 HH11 ARG A 56 -0.795 12.759 -0.169 1.00 52.13 H new ATOM 0 HH12 ARG A 56 0.551 12.282 -1.209 1.00 52.13 H new ATOM 0 HH21 ARG A 56 -1.115 9.541 -2.534 1.00 33.12 H new ATOM 0 HH22 ARG A 56 0.374 10.492 -2.525 1.00 33.12 H new ATOM 937 N LYS A 57 -7.125 10.679 3.430 1.00 51.52 N ATOM 938 CA LYS A 57 -8.194 10.786 4.434 1.00 44.21 C ATOM 939 C LYS A 57 -7.999 9.779 5.580 1.00 13.34 C ATOM 940 O LYS A 57 -8.639 9.877 6.630 1.00 2.33 O ATOM 941 CB LYS A 57 -9.558 10.551 3.768 1.00 70.44 C ATOM 942 CG LYS A 57 -9.809 11.455 2.567 1.00 45.31 C ATOM 943 CD LYS A 57 -11.138 11.140 1.890 1.00 23.22 C ATOM 944 CE LYS A 57 -11.355 11.989 0.641 1.00 72.43 C ATOM 945 NZ LYS A 57 -12.635 11.661 -0.044 1.00 3.10 N ATOM 0 H LYS A 57 -7.312 9.996 2.696 1.00 51.52 H new ATOM 0 HA LYS A 57 -8.155 11.790 4.857 1.00 44.21 H new ATOM 0 HB2 LYS A 57 -9.624 9.510 3.450 1.00 70.44 H new ATOM 0 HB3 LYS A 57 -10.346 10.710 4.504 1.00 70.44 H new ATOM 0 HG2 LYS A 57 -9.803 12.497 2.888 1.00 45.31 H new ATOM 0 HG3 LYS A 57 -8.998 11.338 1.848 1.00 45.31 H new ATOM 0 HD2 LYS A 57 -11.167 10.084 1.621 1.00 23.22 H new ATOM 0 HD3 LYS A 57 -11.953 11.313 2.593 1.00 23.22 H new ATOM 0 HE2 LYS A 57 -11.351 13.044 0.915 1.00 72.43 H new ATOM 0 HE3 LYS A 57 -10.525 11.836 -0.049 1.00 72.43 H new ATOM 0 HZ1 LYS A 57 -12.741 12.261 -0.887 1.00 3.10 H new ATOM 0 HZ2 LYS A 57 -12.630 10.661 -0.330 1.00 3.10 H new ATOM 0 HZ3 LYS A 57 -13.430 11.831 0.605 1.00 3.10 H new ATOM 959 N THR A 58 -7.116 8.808 5.366 1.00 12.23 N ATOM 960 CA THR A 58 -6.865 7.747 6.349 1.00 61.34 C ATOM 961 C THR A 58 -5.358 7.514 6.528 1.00 44.44 C ATOM 962 O THR A 58 -4.736 6.770 5.765 1.00 0.32 O ATOM 963 CB THR A 58 -7.540 6.420 5.913 1.00 0.11 C ATOM 964 OG1 THR A 58 -8.920 6.654 5.590 1.00 60.21 O ATOM 965 CG2 THR A 58 -7.455 5.368 7.009 1.00 4.51 C ATOM 0 H THR A 58 -6.557 8.730 4.517 1.00 12.23 H new ATOM 0 HA THR A 58 -7.292 8.071 7.298 1.00 61.34 H new ATOM 0 HB THR A 58 -7.009 6.051 5.036 1.00 0.11 H new ATOM 0 HG1 THR A 58 -9.263 5.906 5.058 1.00 60.21 H new ATOM 0 HG21 THR A 58 -7.937 4.451 6.671 1.00 4.51 H new ATOM 0 HG22 THR A 58 -6.409 5.165 7.238 1.00 4.51 H new ATOM 0 HG23 THR A 58 -7.958 5.734 7.904 1.00 4.51 H new ATOM 973 N ASP A 59 -4.772 8.149 7.542 1.00 24.01 N ATOM 974 CA ASP A 59 -3.317 8.118 7.734 1.00 35.22 C ATOM 975 C ASP A 59 -2.836 6.799 8.365 1.00 21.14 C ATOM 976 O ASP A 59 -1.783 6.277 7.995 1.00 23.33 O ATOM 977 CB ASP A 59 -2.874 9.313 8.581 1.00 64.20 C ATOM 978 CG ASP A 59 -3.284 10.642 7.963 1.00 73.54 C ATOM 979 OD1 ASP A 59 -3.289 10.756 6.721 1.00 44.44 O ATOM 980 OD2 ASP A 59 -3.610 11.579 8.725 1.00 63.34 O ATOM 0 H ASP A 59 -5.278 8.690 8.243 1.00 24.01 H new ATOM 0 HA ASP A 59 -2.856 8.183 6.748 1.00 35.22 H new ATOM 0 HB2 ASP A 59 -3.307 9.229 9.578 1.00 64.20 H new ATOM 0 HB3 ASP A 59 -1.791 9.289 8.701 1.00 64.20 H new ATOM 985 N TRP A 60 -3.605 6.250 9.305 1.00 4.34 N ATOM 986 CA TRP A 60 -3.243 4.968 9.926 1.00 54.04 C ATOM 987 C TRP A 60 -3.181 3.841 8.881 1.00 0.51 C ATOM 988 O TRP A 60 -2.494 2.837 9.070 1.00 43.43 O ATOM 989 CB TRP A 60 -4.216 4.604 11.059 1.00 73.45 C ATOM 990 CG TRP A 60 -5.632 4.356 10.618 1.00 61.05 C ATOM 991 CD1 TRP A 60 -6.635 5.278 10.526 1.00 72.13 C ATOM 992 CD2 TRP A 60 -6.206 3.099 10.234 1.00 34.20 C ATOM 993 NE1 TRP A 60 -7.794 4.672 10.105 1.00 53.24 N ATOM 994 CE2 TRP A 60 -7.556 3.336 9.917 1.00 4.14 C ATOM 995 CE3 TRP A 60 -5.706 1.798 10.124 1.00 22.11 C ATOM 996 CZ2 TRP A 60 -8.410 2.320 9.500 1.00 3.23 C ATOM 997 CZ3 TRP A 60 -6.554 0.790 9.708 1.00 4.12 C ATOM 998 CH2 TRP A 60 -7.894 1.057 9.401 1.00 31.15 C ATOM 0 H TRP A 60 -4.471 6.662 9.652 1.00 4.34 H new ATOM 0 HA TRP A 60 -2.249 5.083 10.358 1.00 54.04 H new ATOM 0 HB2 TRP A 60 -3.846 3.712 11.564 1.00 73.45 H new ATOM 0 HB3 TRP A 60 -4.215 5.410 11.793 1.00 73.45 H new ATOM 0 HD1 TRP A 60 -6.532 6.329 10.751 1.00 72.13 H new ATOM 0 HE1 TRP A 60 -8.687 5.141 9.956 1.00 53.24 H new ATOM 0 HE3 TRP A 60 -4.674 1.585 10.360 1.00 22.11 H new ATOM 0 HZ2 TRP A 60 -9.444 2.521 9.263 1.00 3.23 H new ATOM 0 HZ3 TRP A 60 -6.178 -0.219 9.618 1.00 4.12 H new ATOM 0 HH2 TRP A 60 -8.534 0.249 9.079 1.00 31.15 H new ATOM 1009 N ALA A 61 -3.907 4.019 7.773 1.00 65.14 N ATOM 1010 CA ALA A 61 -3.830 3.089 6.643 1.00 4.13 C ATOM 1011 C ALA A 61 -2.422 3.093 6.034 1.00 53.33 C ATOM 1012 O ALA A 61 -1.900 2.046 5.649 1.00 35.21 O ATOM 1013 CB ALA A 61 -4.869 3.445 5.587 1.00 64.53 C ATOM 0 H ALA A 61 -4.553 4.796 7.635 1.00 65.14 H new ATOM 0 HA ALA A 61 -4.041 2.085 7.011 1.00 4.13 H new ATOM 0 HB1 ALA A 61 -4.797 2.744 4.755 1.00 64.53 H new ATOM 0 HB2 ALA A 61 -5.866 3.389 6.024 1.00 64.53 H new ATOM 0 HB3 ALA A 61 -4.688 4.457 5.225 1.00 64.53 H new ATOM 1019 N ARG A 62 -1.806 4.279 5.965 1.00 43.34 N ATOM 1020 CA ARG A 62 -0.425 4.407 5.481 1.00 3.51 C ATOM 1021 C ARG A 62 0.517 3.572 6.355 1.00 55.11 C ATOM 1022 O ARG A 62 1.331 2.809 5.851 1.00 75.41 O ATOM 1023 CB ARG A 62 0.046 5.870 5.498 1.00 15.23 C ATOM 1024 CG ARG A 62 -0.934 6.867 4.889 1.00 44.42 C ATOM 1025 CD ARG A 62 -0.348 8.280 4.877 1.00 53.13 C ATOM 1026 NE ARG A 62 -1.368 9.316 4.716 1.00 61.04 N ATOM 1027 CZ ARG A 62 -1.120 10.536 4.328 1.00 62.34 C ATOM 1028 NH1 ARG A 62 0.068 10.879 3.941 1.00 0.32 N ATOM 1029 NH2 ARG A 62 -2.065 11.419 4.330 1.00 13.30 N ATOM 0 H ARG A 62 -2.240 5.161 6.237 1.00 43.34 H new ATOM 0 HA ARG A 62 -0.404 4.046 4.453 1.00 3.51 H new ATOM 0 HB2 ARG A 62 0.244 6.161 6.530 1.00 15.23 H new ATOM 0 HB3 ARG A 62 0.992 5.938 4.961 1.00 15.23 H new ATOM 0 HG2 ARG A 62 -1.180 6.564 3.871 1.00 44.42 H new ATOM 0 HG3 ARG A 62 -1.864 6.861 5.458 1.00 44.42 H new ATOM 0 HD2 ARG A 62 0.194 8.452 5.807 1.00 53.13 H new ATOM 0 HD3 ARG A 62 0.376 8.361 4.067 1.00 53.13 H new ATOM 0 HE ARG A 62 -2.336 9.068 4.920 1.00 61.04 H new ATOM 0 HH11 ARG A 62 0.822 10.192 3.938 1.00 0.32 H new ATOM 0 HH12 ARG A 62 0.250 11.836 3.640 1.00 0.32 H new ATOM 0 HH21 ARG A 62 -3.004 11.161 4.635 1.00 13.30 H new ATOM 0 HH22 ARG A 62 -1.872 12.373 4.027 1.00 13.30 H new ATOM 1043 N GLU A 63 0.376 3.721 7.673 1.00 51.51 N ATOM 1044 CA GLU A 63 1.161 2.948 8.649 1.00 52.52 C ATOM 1045 C GLU A 63 1.139 1.443 8.325 1.00 3.35 C ATOM 1046 O GLU A 63 2.154 0.748 8.427 1.00 73.03 O ATOM 1047 CB GLU A 63 0.594 3.172 10.058 1.00 4.42 C ATOM 1048 CG GLU A 63 0.530 4.637 10.487 1.00 31.20 C ATOM 1049 CD GLU A 63 1.903 5.252 10.706 1.00 34.35 C ATOM 1050 OE1 GLU A 63 2.546 4.922 11.727 1.00 34.40 O ATOM 1051 OE2 GLU A 63 2.341 6.069 9.866 1.00 25.01 O ATOM 0 H GLU A 63 -0.281 4.376 8.097 1.00 51.51 H new ATOM 0 HA GLU A 63 2.194 3.293 8.599 1.00 52.52 H new ATOM 0 HB2 GLU A 63 -0.409 2.748 10.104 1.00 4.42 H new ATOM 0 HB3 GLU A 63 1.205 2.623 10.774 1.00 4.42 H new ATOM 0 HG2 GLU A 63 -0.002 5.210 9.727 1.00 31.20 H new ATOM 0 HG3 GLU A 63 -0.048 4.715 11.408 1.00 31.20 H new ATOM 1058 N ARG A 64 -0.035 0.951 7.941 1.00 23.22 N ATOM 1059 CA ARG A 64 -0.206 -0.460 7.578 1.00 72.15 C ATOM 1060 C ARG A 64 0.478 -0.782 6.238 1.00 51.45 C ATOM 1061 O ARG A 64 1.254 -1.733 6.138 1.00 74.03 O ATOM 1062 CB ARG A 64 -1.702 -0.802 7.509 1.00 34.41 C ATOM 1063 CG ARG A 64 -2.459 -0.543 8.812 1.00 21.14 C ATOM 1064 CD ARG A 64 -1.893 -1.364 9.967 1.00 34.22 C ATOM 1065 NE ARG A 64 -2.582 -1.104 11.232 1.00 3.01 N ATOM 1066 CZ ARG A 64 -2.062 -1.338 12.406 1.00 15.53 C ATOM 1067 NH1 ARG A 64 -0.833 -1.732 12.519 1.00 45.33 N ATOM 1068 NH2 ARG A 64 -2.761 -1.139 13.477 1.00 4.32 N ATOM 0 H ARG A 64 -0.887 1.507 7.872 1.00 23.22 H new ATOM 0 HA ARG A 64 0.269 -1.070 8.347 1.00 72.15 H new ATOM 0 HB2 ARG A 64 -2.161 -0.218 6.711 1.00 34.41 H new ATOM 0 HB3 ARG A 64 -1.812 -1.852 7.239 1.00 34.41 H new ATOM 0 HG2 ARG A 64 -2.406 0.517 9.059 1.00 21.14 H new ATOM 0 HG3 ARG A 64 -3.513 -0.786 8.675 1.00 21.14 H new ATOM 0 HD2 ARG A 64 -1.970 -2.424 9.727 1.00 34.22 H new ATOM 0 HD3 ARG A 64 -0.833 -1.140 10.082 1.00 34.22 H new ATOM 0 HE ARG A 64 -3.525 -0.717 11.194 1.00 3.01 H new ATOM 0 HH11 ARG A 64 -0.261 -1.863 11.685 1.00 45.33 H new ATOM 0 HH12 ARG A 64 -0.438 -1.912 13.442 1.00 45.33 H new ATOM 0 HH21 ARG A 64 -3.720 -0.799 13.404 1.00 4.32 H new ATOM 0 HH22 ARG A 64 -2.353 -1.322 14.394 1.00 4.32 H new ATOM 1082 N VAL A 65 0.198 0.031 5.218 1.00 22.10 N ATOM 1083 CA VAL A 65 0.760 -0.169 3.873 1.00 31.44 C ATOM 1084 C VAL A 65 2.301 -0.104 3.880 1.00 75.24 C ATOM 1085 O VAL A 65 2.974 -0.971 3.315 1.00 51.23 O ATOM 1086 CB VAL A 65 0.196 0.880 2.874 1.00 42.12 C ATOM 1087 CG1 VAL A 65 0.799 0.698 1.482 1.00 52.14 C ATOM 1088 CG2 VAL A 65 -1.331 0.796 2.813 1.00 12.31 C ATOM 0 H VAL A 65 -0.418 0.840 5.295 1.00 22.10 H new ATOM 0 HA VAL A 65 0.463 -1.167 3.550 1.00 31.44 H new ATOM 0 HB VAL A 65 0.476 1.870 3.234 1.00 42.12 H new ATOM 0 HG11 VAL A 65 0.385 1.446 0.806 1.00 52.14 H new ATOM 0 HG12 VAL A 65 1.881 0.817 1.536 1.00 52.14 H new ATOM 0 HG13 VAL A 65 0.561 -0.299 1.110 1.00 52.14 H new ATOM 0 HG21 VAL A 65 -1.708 1.537 2.109 1.00 12.31 H new ATOM 0 HG22 VAL A 65 -1.628 -0.200 2.485 1.00 12.31 H new ATOM 0 HG23 VAL A 65 -1.746 0.991 3.802 1.00 12.31 H new ATOM 1098 N GLU A 66 2.851 0.921 4.529 1.00 3.40 N ATOM 1099 CA GLU A 66 4.306 1.096 4.622 1.00 24.44 C ATOM 1100 C GLU A 66 4.965 -0.066 5.384 1.00 32.31 C ATOM 1101 O GLU A 66 6.051 -0.523 5.018 1.00 3.25 O ATOM 1102 CB GLU A 66 4.646 2.439 5.295 1.00 35.15 C ATOM 1103 CG GLU A 66 4.084 3.653 4.553 1.00 22.10 C ATOM 1104 CD GLU A 66 4.544 4.983 5.138 1.00 61.34 C ATOM 1105 OE1 GLU A 66 3.898 5.485 6.083 1.00 22.45 O ATOM 1106 OE2 GLU A 66 5.551 5.536 4.644 1.00 13.22 O ATOM 0 H GLU A 66 2.312 1.647 5.001 1.00 3.40 H new ATOM 0 HA GLU A 66 4.705 1.099 3.608 1.00 24.44 H new ATOM 0 HB2 GLU A 66 4.258 2.434 6.314 1.00 35.15 H new ATOM 0 HB3 GLU A 66 5.729 2.536 5.367 1.00 35.15 H new ATOM 0 HG2 GLU A 66 4.384 3.601 3.506 1.00 22.10 H new ATOM 0 HG3 GLU A 66 2.995 3.611 4.575 1.00 22.10 H new ATOM 1113 N ASN A 67 4.303 -0.545 6.438 1.00 74.40 N ATOM 1114 CA ASN A 67 4.791 -1.708 7.192 1.00 43.02 C ATOM 1115 C ASN A 67 4.917 -2.946 6.281 1.00 75.24 C ATOM 1116 O ASN A 67 5.907 -3.681 6.339 1.00 40.24 O ATOM 1117 CB ASN A 67 3.851 -2.010 8.368 1.00 41.42 C ATOM 1118 CG ASN A 67 4.359 -3.139 9.252 1.00 14.30 C ATOM 1119 OD1 ASN A 67 5.559 -3.335 9.407 1.00 3.31 O ATOM 1120 ND2 ASN A 67 3.450 -3.892 9.835 1.00 72.53 N ATOM 0 H ASN A 67 3.431 -0.150 6.790 1.00 74.40 H new ATOM 0 HA ASN A 67 5.781 -1.469 7.580 1.00 43.02 H new ATOM 0 HB2 ASN A 67 3.729 -1.110 8.970 1.00 41.42 H new ATOM 0 HB3 ASN A 67 2.866 -2.272 7.982 1.00 41.42 H new ATOM 0 HD21 ASN A 67 3.737 -4.665 10.436 1.00 72.53 H new ATOM 0 HD22 ASN A 67 2.459 -3.703 9.686 1.00 72.53 H new ATOM 1127 N ILE A 68 3.910 -3.163 5.435 1.00 54.04 N ATOM 1128 CA ILE A 68 3.934 -4.259 4.454 1.00 50.12 C ATOM 1129 C ILE A 68 5.150 -4.133 3.518 1.00 73.31 C ATOM 1130 O ILE A 68 5.792 -5.128 3.165 1.00 13.21 O ATOM 1131 CB ILE A 68 2.636 -4.284 3.604 1.00 4.24 C ATOM 1132 CG1 ILE A 68 1.402 -4.454 4.509 1.00 13.15 C ATOM 1133 CG2 ILE A 68 2.693 -5.395 2.553 1.00 31.34 C ATOM 1134 CD1 ILE A 68 0.084 -4.363 3.769 1.00 74.02 C ATOM 0 H ILE A 68 3.063 -2.595 5.406 1.00 54.04 H new ATOM 0 HA ILE A 68 4.006 -5.190 5.016 1.00 50.12 H new ATOM 0 HB ILE A 68 2.552 -3.331 3.082 1.00 4.24 H new ATOM 0 HG12 ILE A 68 1.461 -5.420 5.010 1.00 13.15 H new ATOM 0 HG13 ILE A 68 1.425 -3.690 5.286 1.00 13.15 H new ATOM 0 HG21 ILE A 68 1.772 -5.392 1.970 1.00 31.34 H new ATOM 0 HG22 ILE A 68 3.542 -5.226 1.891 1.00 31.34 H new ATOM 0 HG23 ILE A 68 2.806 -6.359 3.049 1.00 31.34 H new ATOM 0 HD11 ILE A 68 -0.738 -4.492 4.473 1.00 74.02 H new ATOM 0 HD12 ILE A 68 0.002 -3.387 3.291 1.00 74.02 H new ATOM 0 HD13 ILE A 68 0.038 -5.144 3.010 1.00 74.02 H new ATOM 1146 N TYR A 69 5.462 -2.898 3.123 1.00 22.41 N ATOM 1147 CA TYR A 69 6.619 -2.626 2.266 1.00 22.12 C ATOM 1148 C TYR A 69 7.931 -2.967 2.985 1.00 75.03 C ATOM 1149 O TYR A 69 8.806 -3.627 2.422 1.00 32.52 O ATOM 1150 CB TYR A 69 6.624 -1.155 1.834 1.00 43.24 C ATOM 1151 CG TYR A 69 7.629 -0.835 0.738 1.00 11.23 C ATOM 1152 CD1 TYR A 69 7.371 -1.174 -0.584 1.00 74.53 C ATOM 1153 CD2 TYR A 69 8.826 -0.183 1.024 1.00 71.44 C ATOM 1154 CE1 TYR A 69 8.274 -0.880 -1.587 1.00 71.11 C ATOM 1155 CE2 TYR A 69 9.734 0.116 0.023 1.00 42.41 C ATOM 1156 CZ TYR A 69 9.451 -0.233 -1.280 1.00 73.55 C ATOM 1157 OH TYR A 69 10.349 0.058 -2.281 1.00 15.23 O ATOM 0 H TYR A 69 4.929 -2.068 3.383 1.00 22.41 H new ATOM 0 HA TYR A 69 6.540 -3.258 1.382 1.00 22.12 H new ATOM 0 HB2 TYR A 69 5.626 -0.885 1.488 1.00 43.24 H new ATOM 0 HB3 TYR A 69 6.839 -0.533 2.703 1.00 43.24 H new ATOM 0 HD1 TYR A 69 6.448 -1.676 -0.832 1.00 74.53 H new ATOM 0 HD2 TYR A 69 9.049 0.094 2.044 1.00 71.44 H new ATOM 0 HE1 TYR A 69 8.058 -1.156 -2.608 1.00 71.11 H new ATOM 0 HE2 TYR A 69 10.659 0.620 0.262 1.00 42.41 H new ATOM 0 HH TYR A 69 10.281 -0.617 -2.988 1.00 15.23 H new ATOM 1167 N LEU A 70 8.062 -2.513 4.232 1.00 73.05 N ATOM 1168 CA LEU A 70 9.235 -2.828 5.056 1.00 61.11 C ATOM 1169 C LEU A 70 9.402 -4.348 5.211 1.00 12.25 C ATOM 1170 O LEU A 70 10.511 -4.881 5.100 1.00 11.23 O ATOM 1171 CB LEU A 70 9.108 -2.170 6.438 1.00 72.14 C ATOM 1172 CG LEU A 70 9.019 -0.632 6.429 1.00 32.10 C ATOM 1173 CD1 LEU A 70 8.864 -0.084 7.847 1.00 34.42 C ATOM 1174 CD2 LEU A 70 10.241 -0.020 5.744 1.00 32.23 C ATOM 0 H LEU A 70 7.370 -1.925 4.696 1.00 73.05 H new ATOM 0 HA LEU A 70 10.118 -2.433 4.554 1.00 61.11 H new ATOM 0 HB2 LEU A 70 8.220 -2.566 6.931 1.00 72.14 H new ATOM 0 HB3 LEU A 70 9.966 -2.464 7.043 1.00 72.14 H new ATOM 0 HG LEU A 70 8.133 -0.351 5.860 1.00 32.10 H new ATOM 0 HD11 LEU A 70 8.804 1.004 7.812 1.00 34.42 H new ATOM 0 HD12 LEU A 70 7.954 -0.484 8.294 1.00 34.42 H new ATOM 0 HD13 LEU A 70 9.724 -0.380 8.448 1.00 34.42 H new ATOM 0 HD21 LEU A 70 10.155 1.067 5.750 1.00 32.23 H new ATOM 0 HD22 LEU A 70 11.144 -0.316 6.278 1.00 32.23 H new ATOM 0 HD23 LEU A 70 10.296 -0.374 4.715 1.00 32.23 H new ATOM 1186 N LYS A 71 8.287 -5.040 5.455 1.00 3.22 N ATOM 1187 CA LYS A 71 8.288 -6.502 5.545 1.00 23.01 C ATOM 1188 C LYS A 71 8.764 -7.130 4.222 1.00 43.44 C ATOM 1189 O LYS A 71 9.551 -8.073 4.219 1.00 1.04 O ATOM 1190 CB LYS A 71 6.883 -7.016 5.901 1.00 31.44 C ATOM 1191 CG LYS A 71 6.825 -8.521 6.159 1.00 20.22 C ATOM 1192 CD LYS A 71 5.398 -9.005 6.419 1.00 24.32 C ATOM 1193 CE LYS A 71 4.786 -8.365 7.661 1.00 13.01 C ATOM 1194 NZ LYS A 71 3.375 -8.790 7.864 1.00 73.24 N ATOM 0 H LYS A 71 7.372 -4.612 5.594 1.00 3.22 H new ATOM 0 HA LYS A 71 8.981 -6.795 6.334 1.00 23.01 H new ATOM 0 HB2 LYS A 71 6.528 -6.491 6.788 1.00 31.44 H new ATOM 0 HB3 LYS A 71 6.199 -6.769 5.089 1.00 31.44 H new ATOM 0 HG2 LYS A 71 7.237 -9.052 5.301 1.00 20.22 H new ATOM 0 HG3 LYS A 71 7.452 -8.766 7.016 1.00 20.22 H new ATOM 0 HD2 LYS A 71 4.777 -8.778 5.553 1.00 24.32 H new ATOM 0 HD3 LYS A 71 5.400 -10.089 6.535 1.00 24.32 H new ATOM 0 HE2 LYS A 71 5.376 -8.634 8.537 1.00 13.01 H new ATOM 0 HE3 LYS A 71 4.829 -7.280 7.569 1.00 13.01 H new ATOM 0 HZ1 LYS A 71 2.994 -8.334 8.718 1.00 73.24 H new ATOM 0 HZ2 LYS A 71 2.806 -8.511 7.039 1.00 73.24 H new ATOM 0 HZ3 LYS A 71 3.336 -9.823 7.977 1.00 73.24 H new ATOM 1208 N LEU A 72 8.294 -6.579 3.104 1.00 33.35 N ATOM 1209 CA LEU A 72 8.682 -7.057 1.769 1.00 74.25 C ATOM 1210 C LEU A 72 10.198 -6.930 1.528 1.00 10.52 C ATOM 1211 O LEU A 72 10.824 -7.824 0.960 1.00 21.22 O ATOM 1212 CB LEU A 72 7.910 -6.280 0.689 1.00 13.23 C ATOM 1213 CG LEU A 72 8.243 -6.660 -0.768 1.00 64.21 C ATOM 1214 CD1 LEU A 72 7.909 -8.125 -1.042 1.00 45.53 C ATOM 1215 CD2 LEU A 72 7.504 -5.743 -1.745 1.00 65.32 C ATOM 0 H LEU A 72 7.640 -5.796 3.092 1.00 33.35 H new ATOM 0 HA LEU A 72 8.429 -8.116 1.712 1.00 74.25 H new ATOM 0 HB2 LEU A 72 6.843 -6.431 0.851 1.00 13.23 H new ATOM 0 HB3 LEU A 72 8.105 -5.216 0.822 1.00 13.23 H new ATOM 0 HG LEU A 72 9.315 -6.527 -0.916 1.00 64.21 H new ATOM 0 HD11 LEU A 72 8.153 -8.367 -2.076 1.00 45.53 H new ATOM 0 HD12 LEU A 72 8.489 -8.762 -0.374 1.00 45.53 H new ATOM 0 HD13 LEU A 72 6.846 -8.294 -0.872 1.00 45.53 H new ATOM 0 HD21 LEU A 72 7.751 -6.026 -2.768 1.00 65.32 H new ATOM 0 HD22 LEU A 72 6.429 -5.839 -1.592 1.00 65.32 H new ATOM 0 HD23 LEU A 72 7.804 -4.710 -1.572 1.00 65.32 H new ATOM 1227 N GLN A 73 10.784 -5.820 1.971 1.00 11.42 N ATOM 1228 CA GLN A 73 12.212 -5.558 1.743 1.00 21.24 C ATOM 1229 C GLN A 73 13.107 -6.518 2.542 1.00 15.24 C ATOM 1230 O GLN A 73 14.103 -7.024 2.024 1.00 14.11 O ATOM 1231 CB GLN A 73 12.553 -4.103 2.083 1.00 23.44 C ATOM 1232 CG GLN A 73 11.709 -3.091 1.314 1.00 34.44 C ATOM 1233 CD GLN A 73 11.728 -3.320 -0.189 1.00 3.35 C ATOM 1234 OE1 GLN A 73 12.713 -3.779 -0.755 1.00 73.55 O ATOM 1235 NE2 GLN A 73 10.625 -3.030 -0.844 1.00 43.23 N ATOM 0 H GLN A 73 10.298 -5.087 2.488 1.00 11.42 H new ATOM 0 HA GLN A 73 12.409 -5.731 0.685 1.00 21.24 H new ATOM 0 HB2 GLN A 73 12.413 -3.945 3.152 1.00 23.44 H new ATOM 0 HB3 GLN A 73 13.607 -3.924 1.869 1.00 23.44 H new ATOM 0 HG2 GLN A 73 10.680 -3.139 1.670 1.00 34.44 H new ATOM 0 HG3 GLN A 73 12.073 -2.086 1.527 1.00 34.44 H new ATOM 0 HE21 GLN A 73 9.821 -2.649 -0.345 1.00 43.23 H new ATOM 0 HE22 GLN A 73 10.574 -3.186 -1.851 1.00 43.23 H new