USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=19 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 USER MOD Single : A 18 GLN : amide:sc= -0.0124 K(o=-0.012,f=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ -149:sc= -2.14! (180deg=-4.36!) USER MOD Single : A 22 THR OG1 : rot 72:sc= 1.02 USER MOD Single : A 27 HIS : no HD1:sc= -0.0281 K(o=-0.028,f=-0.59) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -69:sc= 0.0818 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 173:sc= -1.75 (180deg=-1.97) USER MOD Single : A 38 ASN : amide:sc= 1.01 K(o=1,f=-5!) USER MOD Single : A 40 ASN : amide:sc= -0.84 X(o=-0.84,f=-0.6) USER MOD Single : A 41 CYS SG : rot 58:sc= -2.77 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -0.0318 (180deg=-0.238) USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= -0.0573 (180deg=-0.328) USER MOD Single : A 47 SER OG : rot 180:sc=0.000994 USER MOD Single : A 49 LYS NZ :NH3+ 171:sc=-0.00414 (180deg=-0.0767) USER MOD Single : A 50 SER OG : rot 164:sc= 0.387 USER MOD Single : A 51 SER OG : rot -74:sc= 0.521 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 0.598 (180deg=0.473) USER MOD Single : A 58 THR OG1 : rot 86:sc= 0.42 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 0.104 (180deg=-0.235) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.0649 F(o=-1.5!,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.277 7.610 -3.124 1.00 3.24 N ATOM 220 CA ILE A 15 10.127 6.719 -3.293 1.00 35.33 C ATOM 221 C ILE A 15 8.941 7.185 -2.439 1.00 35.20 C ATOM 222 O ILE A 15 8.919 6.994 -1.222 1.00 52.53 O ATOM 223 CB ILE A 15 10.486 5.250 -2.934 1.00 20.05 C ATOM 224 CG1 ILE A 15 11.560 4.710 -3.894 1.00 64.54 C ATOM 225 CG2 ILE A 15 9.243 4.358 -2.961 1.00 30.31 C ATOM 226 CD1 ILE A 15 11.937 3.261 -3.645 1.00 51.12 C ATOM 0 HA ILE A 15 9.844 6.757 -4.345 1.00 35.33 H new ATOM 0 HB ILE A 15 10.887 5.237 -1.920 1.00 20.05 H new ATOM 0 HG12 ILE A 15 11.201 4.811 -4.918 1.00 64.54 H new ATOM 0 HG13 ILE A 15 12.454 5.328 -3.807 1.00 64.54 H new ATOM 0 HG21 ILE A 15 9.523 3.336 -2.706 1.00 30.31 H new ATOM 0 HG22 ILE A 15 8.515 4.726 -2.238 1.00 30.31 H new ATOM 0 HG23 ILE A 15 8.804 4.376 -3.958 1.00 30.31 H new ATOM 0 HD11 ILE A 15 12.699 2.955 -4.362 1.00 51.12 H new ATOM 0 HD12 ILE A 15 12.328 3.155 -2.633 1.00 51.12 H new ATOM 0 HD13 ILE A 15 11.055 2.631 -3.761 1.00 51.12 H new ATOM 238 N THR A 16 7.962 7.808 -3.086 1.00 43.30 N ATOM 239 CA THR A 16 6.764 8.293 -2.391 1.00 10.31 C ATOM 240 C THR A 16 5.738 7.168 -2.204 1.00 55.33 C ATOM 241 O THR A 16 5.890 6.078 -2.760 1.00 24.03 O ATOM 242 CB THR A 16 6.087 9.451 -3.162 1.00 22.44 C ATOM 243 OG1 THR A 16 5.564 8.968 -4.410 1.00 1.31 O ATOM 244 CG2 THR A 16 7.070 10.588 -3.426 1.00 2.23 C ATOM 0 H THR A 16 7.970 7.991 -4.089 1.00 43.30 H new ATOM 0 HA THR A 16 7.096 8.654 -1.418 1.00 10.31 H new ATOM 0 HB THR A 16 5.274 9.836 -2.546 1.00 22.44 H new ATOM 0 HG1 THR A 16 5.135 9.706 -4.892 1.00 1.31 H new ATOM 0 HG21 THR A 16 6.565 11.387 -3.969 1.00 2.23 H new ATOM 0 HG22 THR A 16 7.443 10.974 -2.477 1.00 2.23 H new ATOM 0 HG23 THR A 16 7.905 10.217 -4.020 1.00 2.23 H new ATOM 252 N LEU A 17 4.689 7.447 -1.427 1.00 4.43 N ATOM 253 CA LEU A 17 3.610 6.479 -1.178 1.00 35.21 C ATOM 254 C LEU A 17 3.044 5.898 -2.488 1.00 22.04 C ATOM 255 O LEU A 17 2.648 4.733 -2.539 1.00 73.33 O ATOM 256 CB LEU A 17 2.489 7.144 -0.364 1.00 3.45 C ATOM 257 CG LEU A 17 1.296 6.238 -0.004 1.00 41.03 C ATOM 258 CD1 LEU A 17 1.757 5.024 0.805 1.00 71.40 C ATOM 259 CD2 LEU A 17 0.233 7.030 0.756 1.00 21.33 C ATOM 0 H LEU A 17 4.561 8.342 -0.955 1.00 4.43 H new ATOM 0 HA LEU A 17 4.032 5.650 -0.609 1.00 35.21 H new ATOM 0 HB2 LEU A 17 2.918 7.533 0.560 1.00 3.45 H new ATOM 0 HB3 LEU A 17 2.115 7.999 -0.927 1.00 3.45 H new ATOM 0 HG LEU A 17 0.852 5.872 -0.930 1.00 41.03 H new ATOM 0 HD11 LEU A 17 0.897 4.400 1.047 1.00 71.40 H new ATOM 0 HD12 LEU A 17 2.471 4.446 0.219 1.00 71.40 H new ATOM 0 HD13 LEU A 17 2.232 5.360 1.727 1.00 71.40 H new ATOM 0 HD21 LEU A 17 -0.602 6.375 1.002 1.00 21.33 H new ATOM 0 HD22 LEU A 17 0.664 7.429 1.674 1.00 21.33 H new ATOM 0 HD23 LEU A 17 -0.122 7.852 0.134 1.00 21.33 H new ATOM 271 N GLN A 18 3.022 6.713 -3.543 1.00 62.10 N ATOM 272 CA GLN A 18 2.563 6.265 -4.865 1.00 4.03 C ATOM 273 C GLN A 18 3.426 5.103 -5.380 1.00 14.21 C ATOM 274 O GLN A 18 2.932 4.000 -5.611 1.00 32.22 O ATOM 275 CB GLN A 18 2.616 7.429 -5.866 1.00 44.22 C ATOM 276 CG GLN A 18 2.156 7.056 -7.277 1.00 0.44 C ATOM 277 CD GLN A 18 2.472 8.133 -8.305 1.00 61.53 C ATOM 278 OE1 GLN A 18 3.445 8.871 -8.172 1.00 21.42 O ATOM 279 NE2 GLN A 18 1.664 8.225 -9.343 1.00 61.33 N ATOM 0 H GLN A 18 3.317 7.689 -3.511 1.00 62.10 H new ATOM 0 HA GLN A 18 1.534 5.918 -4.766 1.00 4.03 H new ATOM 0 HB2 GLN A 18 1.993 8.243 -5.495 1.00 44.22 H new ATOM 0 HB3 GLN A 18 3.637 7.806 -5.915 1.00 44.22 H new ATOM 0 HG2 GLN A 18 2.635 6.124 -7.576 1.00 0.44 H new ATOM 0 HG3 GLN A 18 1.081 6.874 -7.267 1.00 0.44 H new ATOM 0 HE21 GLN A 18 0.864 7.597 -9.424 1.00 61.33 H new ATOM 0 HE22 GLN A 18 1.839 8.924 -10.065 1.00 61.33 H new ATOM 288 N LYS A 19 4.722 5.366 -5.553 1.00 13.21 N ATOM 289 CA LYS A 19 5.677 4.346 -6.010 1.00 25.03 C ATOM 290 C LYS A 19 5.697 3.133 -5.062 1.00 14.24 C ATOM 291 O LYS A 19 5.723 1.983 -5.506 1.00 3.13 O ATOM 292 CB LYS A 19 7.082 4.957 -6.115 1.00 52.11 C ATOM 293 CG LYS A 19 8.155 3.988 -6.615 1.00 3.01 C ATOM 294 CD LYS A 19 7.894 3.504 -8.044 1.00 63.12 C ATOM 295 CE LYS A 19 8.188 4.576 -9.098 1.00 61.52 C ATOM 296 NZ LYS A 19 7.267 5.744 -9.014 1.00 52.45 N ATOM 0 H LYS A 19 5.140 6.281 -5.383 1.00 13.21 H new ATOM 0 HA LYS A 19 5.358 3.998 -6.993 1.00 25.03 H new ATOM 0 HB2 LYS A 19 7.043 5.815 -6.786 1.00 52.11 H new ATOM 0 HB3 LYS A 19 7.376 5.332 -5.135 1.00 52.11 H new ATOM 0 HG2 LYS A 19 9.128 4.477 -6.573 1.00 3.01 H new ATOM 0 HG3 LYS A 19 8.202 3.128 -5.947 1.00 3.01 H new ATOM 0 HD2 LYS A 19 8.509 2.627 -8.243 1.00 63.12 H new ATOM 0 HD3 LYS A 19 6.854 3.190 -8.132 1.00 63.12 H new ATOM 0 HE2 LYS A 19 9.215 4.921 -8.980 1.00 61.52 H new ATOM 0 HE3 LYS A 19 8.113 4.132 -10.091 1.00 61.52 H new ATOM 0 HZ1 LYS A 19 7.131 6.148 -9.963 1.00 52.45 H new ATOM 0 HZ2 LYS A 19 6.349 5.436 -8.634 1.00 52.45 H new ATOM 0 HZ3 LYS A 19 7.677 6.465 -8.387 1.00 52.45 H new ATOM 310 N LEU A 20 5.675 3.408 -3.760 1.00 2.21 N ATOM 311 CA LEU A 20 5.679 2.362 -2.731 1.00 34.23 C ATOM 312 C LEU A 20 4.500 1.392 -2.928 1.00 75.25 C ATOM 313 O LEU A 20 4.689 0.177 -3.024 1.00 25.22 O ATOM 314 CB LEU A 20 5.639 3.027 -1.340 1.00 62.52 C ATOM 315 CG LEU A 20 5.776 2.090 -0.119 1.00 73.51 C ATOM 316 CD1 LEU A 20 6.347 2.848 1.077 1.00 63.44 C ATOM 317 CD2 LEU A 20 4.432 1.460 0.258 1.00 42.41 C ATOM 0 H LEU A 20 5.654 4.357 -3.386 1.00 2.21 H new ATOM 0 HA LEU A 20 6.592 1.772 -2.814 1.00 34.23 H new ATOM 0 HB2 LEU A 20 6.439 3.766 -1.293 1.00 62.52 H new ATOM 0 HB3 LEU A 20 4.698 3.569 -1.249 1.00 62.52 H new ATOM 0 HG LEU A 20 6.462 1.289 -0.396 1.00 73.51 H new ATOM 0 HD11 LEU A 20 6.436 2.172 1.927 1.00 63.44 H new ATOM 0 HD12 LEU A 20 7.331 3.242 0.822 1.00 63.44 H new ATOM 0 HD13 LEU A 20 5.682 3.672 1.337 1.00 63.44 H new ATOM 0 HD21 LEU A 20 4.565 0.807 1.121 1.00 42.41 H new ATOM 0 HD22 LEU A 20 3.718 2.246 0.505 1.00 42.41 H new ATOM 0 HD23 LEU A 20 4.054 0.878 -0.583 1.00 42.41 H new ATOM 329 N LEU A 21 3.286 1.938 -2.998 1.00 21.31 N ATOM 330 CA LEU A 21 2.082 1.128 -3.215 1.00 51.12 C ATOM 331 C LEU A 21 2.119 0.417 -4.581 1.00 24.51 C ATOM 332 O LEU A 21 1.761 -0.757 -4.686 1.00 50.34 O ATOM 333 CB LEU A 21 0.828 2.009 -3.111 1.00 50.24 C ATOM 334 CG LEU A 21 -0.518 1.277 -3.283 1.00 54.01 C ATOM 335 CD1 LEU A 21 -0.705 0.211 -2.204 1.00 73.45 C ATOM 336 CD2 LEU A 21 -1.675 2.276 -3.264 1.00 14.02 C ATOM 0 H LEU A 21 3.108 2.938 -2.908 1.00 21.31 H new ATOM 0 HA LEU A 21 2.049 0.362 -2.440 1.00 51.12 H new ATOM 0 HB2 LEU A 21 0.832 2.501 -2.138 1.00 50.24 H new ATOM 0 HB3 LEU A 21 0.893 2.793 -3.865 1.00 50.24 H new ATOM 0 HG LEU A 21 -0.511 0.775 -4.250 1.00 54.01 H new ATOM 0 HD11 LEU A 21 -1.662 -0.290 -2.349 1.00 73.45 H new ATOM 0 HD12 LEU A 21 0.101 -0.520 -2.271 1.00 73.45 H new ATOM 0 HD13 LEU A 21 -0.687 0.681 -1.221 1.00 73.45 H new ATOM 0 HD21 LEU A 21 -2.618 1.743 -3.387 1.00 14.02 H new ATOM 0 HD22 LEU A 21 -1.680 2.809 -2.313 1.00 14.02 H new ATOM 0 HD23 LEU A 21 -1.553 2.990 -4.079 1.00 14.02 H new ATOM 348 N THR A 22 2.566 1.130 -5.615 1.00 55.23 N ATOM 349 CA THR A 22 2.651 0.565 -6.974 1.00 13.54 C ATOM 350 C THR A 22 3.475 -0.733 -7.003 1.00 0.52 C ATOM 351 O THR A 22 3.030 -1.748 -7.548 1.00 15.33 O ATOM 352 CB THR A 22 3.262 1.581 -7.976 1.00 44.15 C ATOM 353 OG1 THR A 22 2.428 2.747 -8.069 1.00 33.32 O ATOM 354 CG2 THR A 22 3.427 0.969 -9.367 1.00 62.22 C ATOM 0 H THR A 22 2.876 2.099 -5.544 1.00 55.23 H new ATOM 0 HA THR A 22 1.629 0.338 -7.276 1.00 13.54 H new ATOM 0 HB THR A 22 4.248 1.858 -7.601 1.00 44.15 H new ATOM 0 HG1 THR A 22 2.504 3.270 -7.244 1.00 33.32 H new ATOM 0 HG21 THR A 22 3.857 1.709 -10.041 1.00 62.22 H new ATOM 0 HG22 THR A 22 4.088 0.104 -9.308 1.00 62.22 H new ATOM 0 HG23 THR A 22 2.454 0.656 -9.745 1.00 62.22 H new ATOM 362 N GLU A 23 4.667 -0.700 -6.399 1.00 12.22 N ATOM 363 CA GLU A 23 5.530 -1.887 -6.325 1.00 71.35 C ATOM 364 C GLU A 23 4.843 -3.029 -5.550 1.00 61.12 C ATOM 365 O GLU A 23 4.904 -4.192 -5.955 1.00 71.51 O ATOM 366 CB GLU A 23 6.874 -1.539 -5.662 1.00 33.33 C ATOM 367 CG GLU A 23 7.696 -0.488 -6.410 1.00 13.23 C ATOM 368 CD GLU A 23 8.085 -0.917 -7.820 1.00 41.32 C ATOM 369 OE1 GLU A 23 9.037 -1.721 -7.970 1.00 22.21 O ATOM 370 OE2 GLU A 23 7.447 -0.451 -8.788 1.00 12.11 O ATOM 0 H GLU A 23 5.057 0.132 -5.955 1.00 12.22 H new ATOM 0 HA GLU A 23 5.714 -2.226 -7.345 1.00 71.35 H new ATOM 0 HB2 GLU A 23 6.684 -1.181 -4.650 1.00 33.33 H new ATOM 0 HB3 GLU A 23 7.467 -2.449 -5.572 1.00 33.33 H new ATOM 0 HG2 GLU A 23 7.125 0.439 -6.464 1.00 13.23 H new ATOM 0 HG3 GLU A 23 8.600 -0.272 -5.841 1.00 13.23 H new ATOM 377 N LEU A 24 4.180 -2.693 -4.438 1.00 32.25 N ATOM 378 CA LEU A 24 3.456 -3.691 -3.633 1.00 20.11 C ATOM 379 C LEU A 24 2.352 -4.383 -4.452 1.00 70.20 C ATOM 380 O LEU A 24 2.146 -5.591 -4.340 1.00 51.30 O ATOM 381 CB LEU A 24 2.852 -3.043 -2.376 1.00 23.32 C ATOM 382 CG LEU A 24 3.868 -2.532 -1.342 1.00 33.33 C ATOM 383 CD1 LEU A 24 3.151 -1.900 -0.154 1.00 54.23 C ATOM 384 CD2 LEU A 24 4.784 -3.666 -0.878 1.00 31.43 C ATOM 0 H LEU A 24 4.128 -1.742 -4.073 1.00 32.25 H new ATOM 0 HA LEU A 24 4.178 -4.449 -3.328 1.00 20.11 H new ATOM 0 HB2 LEU A 24 2.223 -2.208 -2.685 1.00 23.32 H new ATOM 0 HB3 LEU A 24 2.201 -3.770 -1.891 1.00 23.32 H new ATOM 0 HG LEU A 24 4.485 -1.769 -1.816 1.00 33.33 H new ATOM 0 HD11 LEU A 24 3.886 -1.544 0.568 1.00 54.23 H new ATOM 0 HD12 LEU A 24 2.545 -1.062 -0.498 1.00 54.23 H new ATOM 0 HD13 LEU A 24 2.508 -2.642 0.319 1.00 54.23 H new ATOM 0 HD21 LEU A 24 5.495 -3.283 -0.147 1.00 31.43 H new ATOM 0 HD22 LEU A 24 4.185 -4.455 -0.423 1.00 31.43 H new ATOM 0 HD23 LEU A 24 5.325 -4.070 -1.734 1.00 31.43 H new ATOM 396 N VAL A 25 1.647 -3.612 -5.278 1.00 40.24 N ATOM 397 CA VAL A 25 0.624 -4.170 -6.172 1.00 23.43 C ATOM 398 C VAL A 25 1.251 -5.122 -7.205 1.00 63.41 C ATOM 399 O VAL A 25 0.712 -6.191 -7.486 1.00 54.02 O ATOM 400 CB VAL A 25 -0.158 -3.055 -6.913 1.00 62.30 C ATOM 401 CG1 VAL A 25 -1.186 -3.655 -7.872 1.00 61.21 C ATOM 402 CG2 VAL A 25 -0.835 -2.117 -5.916 1.00 22.54 C ATOM 0 H VAL A 25 1.762 -2.601 -5.350 1.00 40.24 H new ATOM 0 HA VAL A 25 -0.072 -4.727 -5.545 1.00 23.43 H new ATOM 0 HB VAL A 25 0.555 -2.475 -7.500 1.00 62.30 H new ATOM 0 HG11 VAL A 25 -1.722 -2.853 -8.380 1.00 61.21 H new ATOM 0 HG12 VAL A 25 -0.677 -4.275 -8.610 1.00 61.21 H new ATOM 0 HG13 VAL A 25 -1.894 -4.266 -7.311 1.00 61.21 H new ATOM 0 HG21 VAL A 25 -1.378 -1.342 -6.457 1.00 22.54 H new ATOM 0 HG22 VAL A 25 -1.531 -2.684 -5.298 1.00 22.54 H new ATOM 0 HG23 VAL A 25 -0.080 -1.655 -5.281 1.00 22.54 H new ATOM 412 N GLU A 26 2.401 -4.728 -7.750 1.00 44.13 N ATOM 413 CA GLU A 26 3.102 -5.531 -8.760 1.00 23.15 C ATOM 414 C GLU A 26 3.698 -6.820 -8.167 1.00 71.02 C ATOM 415 O GLU A 26 3.771 -7.848 -8.847 1.00 41.13 O ATOM 416 CB GLU A 26 4.218 -4.703 -9.422 1.00 23.34 C ATOM 417 CG GLU A 26 3.708 -3.538 -10.268 1.00 61.22 C ATOM 418 CD GLU A 26 2.750 -3.984 -11.362 1.00 51.10 C ATOM 419 OE1 GLU A 26 3.202 -4.640 -12.328 1.00 42.11 O ATOM 420 OE2 GLU A 26 1.543 -3.687 -11.262 1.00 21.43 O ATOM 0 H GLU A 26 2.871 -3.855 -7.510 1.00 44.13 H new ATOM 0 HA GLU A 26 2.363 -5.819 -9.508 1.00 23.15 H new ATOM 0 HB2 GLU A 26 4.877 -4.314 -8.646 1.00 23.34 H new ATOM 0 HB3 GLU A 26 4.819 -5.360 -10.051 1.00 23.34 H new ATOM 0 HG2 GLU A 26 3.206 -2.818 -9.622 1.00 61.22 H new ATOM 0 HG3 GLU A 26 4.556 -3.024 -10.720 1.00 61.22 H new ATOM 427 N HIS A 27 4.128 -6.762 -6.908 1.00 63.13 N ATOM 428 CA HIS A 27 4.769 -7.912 -6.260 1.00 44.42 C ATOM 429 C HIS A 27 3.743 -8.818 -5.558 1.00 31.55 C ATOM 430 O HIS A 27 3.924 -10.033 -5.489 1.00 61.23 O ATOM 431 CB HIS A 27 5.818 -7.428 -5.249 1.00 14.41 C ATOM 432 CG HIS A 27 6.810 -8.483 -4.847 1.00 15.42 C ATOM 433 ND1 HIS A 27 6.483 -9.589 -4.085 1.00 33.33 N ATOM 434 CD2 HIS A 27 8.138 -8.595 -5.107 1.00 3.30 C ATOM 435 CE1 HIS A 27 7.559 -10.328 -3.894 1.00 40.22 C ATOM 436 NE2 HIS A 27 8.574 -9.749 -4.503 1.00 33.51 N ATOM 0 H HIS A 27 4.046 -5.936 -6.316 1.00 63.13 H new ATOM 0 HA HIS A 27 5.255 -8.501 -7.038 1.00 44.42 H new ATOM 0 HB2 HIS A 27 6.356 -6.581 -5.676 1.00 14.41 H new ATOM 0 HB3 HIS A 27 5.308 -7.064 -4.357 1.00 14.41 H new ATOM 0 HD2 HIS A 27 8.739 -7.906 -5.681 1.00 3.30 H new ATOM 0 HE1 HIS A 27 7.601 -11.250 -3.334 1.00 40.22 H new ATOM 0 HE2 HIS A 27 9.531 -10.102 -4.523 1.00 33.51 H new ATOM 445 N TYR A 28 2.680 -8.223 -5.021 1.00 42.25 N ATOM 446 CA TYR A 28 1.639 -8.981 -4.309 1.00 51.30 C ATOM 447 C TYR A 28 0.321 -9.015 -5.104 1.00 41.10 C ATOM 448 O TYR A 28 -0.065 -10.051 -5.650 1.00 4.22 O ATOM 449 CB TYR A 28 1.378 -8.368 -2.923 1.00 24.41 C ATOM 450 CG TYR A 28 2.551 -8.445 -1.960 1.00 43.23 C ATOM 451 CD1 TYR A 28 3.548 -7.475 -1.957 1.00 30.55 C ATOM 452 CD2 TYR A 28 2.650 -9.486 -1.040 1.00 52.35 C ATOM 453 CE1 TYR A 28 4.607 -7.540 -1.070 1.00 45.31 C ATOM 454 CE2 TYR A 28 3.705 -9.555 -0.149 1.00 44.13 C ATOM 455 CZ TYR A 28 4.682 -8.582 -0.168 1.00 63.51 C ATOM 456 OH TYR A 28 5.730 -8.645 0.722 1.00 64.23 O ATOM 0 H TYR A 28 2.512 -7.218 -5.062 1.00 42.25 H new ATOM 0 HA TYR A 28 2.004 -10.002 -4.196 1.00 51.30 H new ATOM 0 HB2 TYR A 28 1.099 -7.322 -3.051 1.00 24.41 H new ATOM 0 HB3 TYR A 28 0.523 -8.873 -2.473 1.00 24.41 H new ATOM 0 HD1 TYR A 28 3.494 -6.657 -2.660 1.00 30.55 H new ATOM 0 HD2 TYR A 28 1.889 -10.253 -1.022 1.00 52.35 H new ATOM 0 HE1 TYR A 28 5.372 -6.778 -1.083 1.00 45.31 H new ATOM 0 HE2 TYR A 28 3.764 -10.368 0.559 1.00 44.13 H new ATOM 0 HH TYR A 28 5.632 -9.440 1.287 1.00 64.23 H new ATOM 466 N GLY A 29 -0.353 -7.869 -5.175 1.00 22.23 N ATOM 467 CA GLY A 29 -1.657 -7.789 -5.827 1.00 73.34 C ATOM 468 C GLY A 29 -2.727 -7.167 -4.928 1.00 24.11 C ATOM 469 O GLY A 29 -2.602 -7.175 -3.699 1.00 40.12 O ATOM 0 H GLY A 29 -0.018 -6.986 -4.790 1.00 22.23 H new ATOM 0 HA2 GLY A 29 -1.567 -7.200 -6.740 1.00 73.34 H new ATOM 0 HA3 GLY A 29 -1.973 -8.789 -6.123 1.00 73.34 H new ATOM 473 N TRP A 30 -3.786 -6.639 -5.537 1.00 74.23 N ATOM 474 CA TRP A 30 -4.858 -5.956 -4.794 1.00 32.04 C ATOM 475 C TRP A 30 -5.545 -6.891 -3.786 1.00 65.20 C ATOM 476 O TRP A 30 -5.835 -6.496 -2.650 1.00 2.43 O ATOM 477 CB TRP A 30 -5.904 -5.389 -5.766 1.00 31.33 C ATOM 478 CG TRP A 30 -5.364 -4.353 -6.710 1.00 34.21 C ATOM 479 CD1 TRP A 30 -5.068 -4.518 -8.034 1.00 10.44 C ATOM 480 CD2 TRP A 30 -5.058 -2.986 -6.399 1.00 25.34 C ATOM 481 NE1 TRP A 30 -4.603 -3.339 -8.563 1.00 22.44 N ATOM 482 CE2 TRP A 30 -4.587 -2.386 -7.581 1.00 52.41 C ATOM 483 CE3 TRP A 30 -5.141 -2.212 -5.237 1.00 30.22 C ATOM 484 CZ2 TRP A 30 -4.195 -1.051 -7.634 1.00 61.50 C ATOM 485 CZ3 TRP A 30 -4.751 -0.885 -5.291 1.00 14.03 C ATOM 486 CH2 TRP A 30 -4.287 -0.316 -6.485 1.00 1.33 C ATOM 0 H TRP A 30 -3.931 -6.668 -6.546 1.00 74.23 H new ATOM 0 HA TRP A 30 -4.395 -5.142 -4.236 1.00 32.04 H new ATOM 0 HB2 TRP A 30 -6.327 -6.209 -6.346 1.00 31.33 H new ATOM 0 HB3 TRP A 30 -6.720 -4.951 -5.191 1.00 31.33 H new ATOM 0 HD1 TRP A 30 -5.183 -5.440 -8.584 1.00 10.44 H new ATOM 0 HE1 TRP A 30 -4.316 -3.197 -9.531 1.00 22.44 H new ATOM 0 HE3 TRP A 30 -5.503 -2.642 -4.315 1.00 30.22 H new ATOM 0 HZ2 TRP A 30 -3.831 -0.611 -8.551 1.00 61.50 H new ATOM 0 HZ3 TRP A 30 -4.805 -0.278 -4.399 1.00 14.03 H new ATOM 0 HH2 TRP A 30 -3.996 0.724 -6.498 1.00 1.33 H new ATOM 497 N GLU A 31 -5.802 -8.133 -4.199 1.00 63.13 N ATOM 498 CA GLU A 31 -6.484 -9.107 -3.339 1.00 31.41 C ATOM 499 C GLU A 31 -5.642 -9.481 -2.105 1.00 25.33 C ATOM 500 O GLU A 31 -6.184 -9.896 -1.077 1.00 64.31 O ATOM 501 CB GLU A 31 -6.844 -10.369 -4.131 1.00 61.35 C ATOM 502 CG GLU A 31 -7.760 -10.106 -5.324 1.00 11.20 C ATOM 503 CD GLU A 31 -8.253 -11.388 -5.975 1.00 21.52 C ATOM 504 OE1 GLU A 31 -7.521 -11.961 -6.809 1.00 72.05 O ATOM 505 OE2 GLU A 31 -9.378 -11.825 -5.655 1.00 12.23 O ATOM 0 H GLU A 31 -5.550 -8.490 -5.121 1.00 63.13 H new ATOM 0 HA GLU A 31 -7.399 -8.633 -2.984 1.00 31.41 H new ATOM 0 HB2 GLU A 31 -5.926 -10.838 -4.486 1.00 61.35 H new ATOM 0 HB3 GLU A 31 -7.328 -11.081 -3.462 1.00 61.35 H new ATOM 0 HG2 GLU A 31 -8.616 -9.516 -4.997 1.00 11.20 H new ATOM 0 HG3 GLU A 31 -7.226 -9.509 -6.063 1.00 11.20 H new ATOM 512 N GLU A 32 -4.321 -9.337 -2.211 1.00 33.12 N ATOM 513 CA GLU A 32 -3.428 -9.586 -1.073 1.00 5.32 C ATOM 514 C GLU A 32 -3.425 -8.381 -0.122 1.00 14.31 C ATOM 515 O GLU A 32 -3.521 -8.530 1.099 1.00 21.40 O ATOM 516 CB GLU A 32 -1.992 -9.871 -1.545 1.00 43.54 C ATOM 517 CG GLU A 32 -1.883 -10.918 -2.649 1.00 55.24 C ATOM 518 CD GLU A 32 -2.660 -12.192 -2.345 1.00 74.13 C ATOM 519 OE1 GLU A 32 -2.162 -13.034 -1.569 1.00 72.34 O ATOM 520 OE2 GLU A 32 -3.770 -12.360 -2.893 1.00 51.22 O ATOM 0 H GLU A 32 -3.845 -9.051 -3.067 1.00 33.12 H new ATOM 0 HA GLU A 32 -3.801 -10.464 -0.545 1.00 5.32 H new ATOM 0 HB2 GLU A 32 -1.549 -8.941 -1.900 1.00 43.54 H new ATOM 0 HB3 GLU A 32 -1.401 -10.200 -0.690 1.00 43.54 H new ATOM 0 HG2 GLU A 32 -2.248 -10.491 -3.583 1.00 55.24 H new ATOM 0 HG3 GLU A 32 -0.833 -11.168 -2.802 1.00 55.24 H new ATOM 527 N LEU A 33 -3.317 -7.182 -0.699 1.00 51.31 N ATOM 528 CA LEU A 33 -3.316 -5.940 0.081 1.00 24.22 C ATOM 529 C LEU A 33 -4.612 -5.787 0.893 1.00 75.11 C ATOM 530 O LEU A 33 -4.579 -5.416 2.064 1.00 53.02 O ATOM 531 CB LEU A 33 -3.128 -4.728 -0.846 1.00 13.00 C ATOM 532 CG LEU A 33 -1.840 -4.728 -1.686 1.00 14.33 C ATOM 533 CD1 LEU A 33 -1.799 -3.515 -2.612 1.00 41.54 C ATOM 534 CD2 LEU A 33 -0.598 -4.767 -0.792 1.00 72.53 C ATOM 0 H LEU A 33 -3.229 -7.044 -1.706 1.00 51.31 H new ATOM 0 HA LEU A 33 -2.482 -5.987 0.782 1.00 24.22 H new ATOM 0 HB2 LEU A 33 -3.981 -4.674 -1.522 1.00 13.00 H new ATOM 0 HB3 LEU A 33 -3.145 -3.823 -0.239 1.00 13.00 H new ATOM 0 HG LEU A 33 -1.841 -5.629 -2.299 1.00 14.33 H new ATOM 0 HD11 LEU A 33 -0.879 -3.535 -3.197 1.00 41.54 H new ATOM 0 HD12 LEU A 33 -2.657 -3.541 -3.284 1.00 41.54 H new ATOM 0 HD13 LEU A 33 -1.831 -2.602 -2.017 1.00 41.54 H new ATOM 0 HD21 LEU A 33 0.298 -4.766 -1.413 1.00 72.53 H new ATOM 0 HD22 LEU A 33 -0.590 -3.892 -0.142 1.00 72.53 H new ATOM 0 HD23 LEU A 33 -0.616 -5.671 -0.183 1.00 72.53 H new ATOM 546 N SER A 34 -5.749 -6.100 0.270 1.00 60.35 N ATOM 547 CA SER A 34 -7.060 -6.006 0.938 1.00 51.25 C ATOM 548 C SER A 34 -7.233 -7.074 2.028 1.00 14.12 C ATOM 549 O SER A 34 -8.067 -6.928 2.921 1.00 43.24 O ATOM 550 CB SER A 34 -8.192 -6.139 -0.084 1.00 14.31 C ATOM 551 OG SER A 34 -8.112 -7.370 -0.790 1.00 60.35 O ATOM 0 H SER A 34 -5.795 -6.422 -0.697 1.00 60.35 H new ATOM 0 HA SER A 34 -7.103 -5.026 1.414 1.00 51.25 H new ATOM 0 HB2 SER A 34 -9.153 -6.072 0.425 1.00 14.31 H new ATOM 0 HB3 SER A 34 -8.146 -5.310 -0.790 1.00 14.31 H new ATOM 0 HG SER A 34 -7.331 -7.358 -1.382 1.00 60.35 H new ATOM 557 N TYR A 35 -6.466 -8.159 1.937 1.00 62.21 N ATOM 558 CA TYR A 35 -6.495 -9.218 2.956 1.00 1.03 C ATOM 559 C TYR A 35 -5.657 -8.830 4.189 1.00 43.20 C ATOM 560 O TYR A 35 -5.965 -9.220 5.319 1.00 62.45 O ATOM 561 CB TYR A 35 -5.984 -10.540 2.355 1.00 41.54 C ATOM 562 CG TYR A 35 -5.843 -11.666 3.367 1.00 43.23 C ATOM 563 CD1 TYR A 35 -6.963 -12.307 3.888 1.00 74.22 C ATOM 564 CD2 TYR A 35 -4.589 -12.078 3.807 1.00 61.24 C ATOM 565 CE1 TYR A 35 -6.835 -13.322 4.817 1.00 2.14 C ATOM 566 CE2 TYR A 35 -4.455 -13.092 4.733 1.00 25.32 C ATOM 567 CZ TYR A 35 -5.579 -13.710 5.235 1.00 33.52 C ATOM 568 OH TYR A 35 -5.445 -14.712 6.168 1.00 24.11 O ATOM 0 H TYR A 35 -5.816 -8.332 1.170 1.00 62.21 H new ATOM 0 HA TYR A 35 -7.527 -9.349 3.282 1.00 1.03 H new ATOM 0 HB2 TYR A 35 -6.667 -10.857 1.567 1.00 41.54 H new ATOM 0 HB3 TYR A 35 -5.016 -10.364 1.886 1.00 41.54 H new ATOM 0 HD1 TYR A 35 -7.948 -12.007 3.561 1.00 74.22 H new ATOM 0 HD2 TYR A 35 -3.705 -11.596 3.417 1.00 61.24 H new ATOM 0 HE1 TYR A 35 -7.714 -13.809 5.214 1.00 2.14 H new ATOM 0 HE2 TYR A 35 -3.474 -13.400 5.063 1.00 25.32 H new ATOM 0 HH TYR A 35 -4.494 -14.863 6.351 1.00 24.11 H new ATOM 578 N MET A 36 -4.593 -8.065 3.963 1.00 75.24 N ATOM 579 CA MET A 36 -3.709 -7.618 5.046 1.00 44.14 C ATOM 580 C MET A 36 -4.218 -6.320 5.701 1.00 2.50 C ATOM 581 O MET A 36 -4.228 -6.195 6.928 1.00 14.11 O ATOM 582 CB MET A 36 -2.282 -7.427 4.512 1.00 2.31 C ATOM 583 CG MET A 36 -1.647 -8.721 4.013 1.00 53.32 C ATOM 584 SD MET A 36 0.007 -8.480 3.331 1.00 24.13 S ATOM 585 CE MET A 36 -0.357 -7.530 1.855 1.00 44.02 C ATOM 0 H MET A 36 -4.317 -7.738 3.037 1.00 75.24 H new ATOM 0 HA MET A 36 -3.705 -8.390 5.816 1.00 44.14 H new ATOM 0 HB2 MET A 36 -2.300 -6.702 3.698 1.00 2.31 H new ATOM 0 HB3 MET A 36 -1.659 -7.006 5.301 1.00 2.31 H new ATOM 0 HG2 MET A 36 -1.594 -9.434 4.836 1.00 53.32 H new ATOM 0 HG3 MET A 36 -2.288 -9.162 3.250 1.00 53.32 H new ATOM 0 HE1 MET A 36 0.575 -7.200 1.396 1.00 44.02 H new ATOM 0 HE2 MET A 36 -0.909 -8.151 1.150 1.00 44.02 H new ATOM 0 HE3 MET A 36 -0.958 -6.660 2.121 1.00 44.02 H new ATOM 595 N VAL A 37 -4.641 -5.360 4.879 1.00 23.31 N ATOM 596 CA VAL A 37 -5.144 -4.074 5.377 1.00 1.30 C ATOM 597 C VAL A 37 -6.641 -4.161 5.742 1.00 64.31 C ATOM 598 O VAL A 37 -7.372 -5.004 5.226 1.00 13.34 O ATOM 599 CB VAL A 37 -4.913 -2.936 4.343 1.00 11.40 C ATOM 600 CG1 VAL A 37 -5.270 -1.570 4.931 1.00 42.13 C ATOM 601 CG2 VAL A 37 -3.466 -2.943 3.850 1.00 33.32 C ATOM 0 H VAL A 37 -4.646 -5.446 3.863 1.00 23.31 H new ATOM 0 HA VAL A 37 -4.581 -3.838 6.280 1.00 1.30 H new ATOM 0 HB VAL A 37 -5.572 -3.119 3.494 1.00 11.40 H new ATOM 0 HG11 VAL A 37 -5.098 -0.796 4.183 1.00 42.13 H new ATOM 0 HG12 VAL A 37 -6.320 -1.563 5.225 1.00 42.13 H new ATOM 0 HG13 VAL A 37 -4.648 -1.376 5.805 1.00 42.13 H new ATOM 0 HG21 VAL A 37 -3.324 -2.140 3.127 1.00 33.32 H new ATOM 0 HG22 VAL A 37 -2.793 -2.794 4.695 1.00 33.32 H new ATOM 0 HG23 VAL A 37 -3.248 -3.900 3.376 1.00 33.32 H new ATOM 611 N ASN A 38 -7.085 -3.277 6.635 1.00 50.23 N ATOM 612 CA ASN A 38 -8.450 -3.327 7.183 1.00 23.10 C ATOM 613 C ASN A 38 -9.498 -2.722 6.230 1.00 13.32 C ATOM 614 O ASN A 38 -10.691 -3.007 6.345 1.00 31.25 O ATOM 615 CB ASN A 38 -8.481 -2.580 8.518 1.00 52.10 C ATOM 616 CG ASN A 38 -7.358 -3.023 9.433 1.00 34.21 C ATOM 617 OD1 ASN A 38 -6.256 -2.483 9.390 1.00 15.45 O ATOM 618 ND2 ASN A 38 -7.611 -4.019 10.252 1.00 23.15 N ATOM 0 H ASN A 38 -6.519 -2.511 6.999 1.00 50.23 H new ATOM 0 HA ASN A 38 -8.710 -4.377 7.319 1.00 23.10 H new ATOM 0 HB2 ASN A 38 -8.402 -1.508 8.337 1.00 52.10 H new ATOM 0 HB3 ASN A 38 -9.439 -2.751 9.009 1.00 52.10 H new ATOM 0 HD21 ASN A 38 -6.881 -4.364 10.876 1.00 23.15 H new ATOM 0 HD22 ASN A 38 -8.537 -4.447 10.264 1.00 23.15 H new ATOM 625 N ILE A 39 -9.054 -1.878 5.300 1.00 53.35 N ATOM 626 CA ILE A 39 -9.970 -1.194 4.376 1.00 15.21 C ATOM 627 C ILE A 39 -10.174 -1.987 3.070 1.00 61.33 C ATOM 628 O ILE A 39 -9.235 -2.551 2.509 1.00 15.04 O ATOM 629 CB ILE A 39 -9.474 0.244 4.062 1.00 1.24 C ATOM 630 CG1 ILE A 39 -8.081 0.214 3.411 1.00 35.22 C ATOM 631 CG2 ILE A 39 -9.461 1.085 5.336 1.00 21.14 C ATOM 632 CD1 ILE A 39 -7.481 1.586 3.170 1.00 45.50 C ATOM 0 H ILE A 39 -8.070 -1.649 5.163 1.00 53.35 H new ATOM 0 HA ILE A 39 -10.936 -1.130 4.878 1.00 15.21 H new ATOM 0 HB ILE A 39 -10.163 0.701 3.352 1.00 1.24 H new ATOM 0 HG12 ILE A 39 -7.407 -0.359 4.047 1.00 35.22 H new ATOM 0 HG13 ILE A 39 -8.147 -0.314 2.460 1.00 35.22 H new ATOM 0 HG21 ILE A 39 -9.112 2.091 5.104 1.00 21.14 H new ATOM 0 HG22 ILE A 39 -10.469 1.137 5.748 1.00 21.14 H new ATOM 0 HG23 ILE A 39 -8.793 0.628 6.067 1.00 21.14 H new ATOM 0 HD11 ILE A 39 -6.499 1.478 2.709 1.00 45.50 H new ATOM 0 HD12 ILE A 39 -8.132 2.157 2.508 1.00 45.50 H new ATOM 0 HD13 ILE A 39 -7.380 2.111 4.120 1.00 45.50 H new ATOM 644 N ASN A 40 -11.420 -2.013 2.593 1.00 74.25 N ATOM 645 CA ASN A 40 -11.809 -2.822 1.429 1.00 52.04 C ATOM 646 C ASN A 40 -11.512 -2.109 0.093 1.00 2.41 C ATOM 647 O ASN A 40 -11.790 -2.643 -0.983 1.00 53.24 O ATOM 648 CB ASN A 40 -13.304 -3.169 1.538 1.00 13.42 C ATOM 649 CG ASN A 40 -13.759 -4.205 0.525 1.00 62.41 C ATOM 650 OD1 ASN A 40 -13.665 -5.403 0.762 1.00 13.33 O ATOM 651 ND2 ASN A 40 -14.275 -3.757 -0.601 1.00 4.21 N ATOM 0 H ASN A 40 -12.187 -1.477 2.999 1.00 74.25 H new ATOM 0 HA ASN A 40 -11.212 -3.734 1.432 1.00 52.04 H new ATOM 0 HB2 ASN A 40 -13.511 -3.539 2.542 1.00 13.42 H new ATOM 0 HB3 ASN A 40 -13.891 -2.260 1.405 1.00 13.42 H new ATOM 0 HD21 ASN A 40 -14.610 -4.414 -1.305 1.00 4.21 H new ATOM 0 HD22 ASN A 40 -14.339 -2.753 -0.769 1.00 4.21 H new ATOM 658 N CYS A 41 -10.930 -0.910 0.165 1.00 45.02 N ATOM 659 CA CYS A 41 -10.608 -0.115 -1.034 1.00 54.44 C ATOM 660 C CYS A 41 -9.770 -0.908 -2.053 1.00 30.45 C ATOM 661 O CYS A 41 -9.906 -0.718 -3.262 1.00 41.23 O ATOM 662 CB CYS A 41 -9.848 1.154 -0.639 1.00 5.24 C ATOM 663 SG CYS A 41 -8.244 0.835 0.131 1.00 11.44 S ATOM 0 H CYS A 41 -10.669 -0.462 1.043 1.00 45.02 H new ATOM 0 HA CYS A 41 -11.556 0.145 -1.506 1.00 54.44 H new ATOM 0 HB2 CYS A 41 -9.698 1.768 -1.527 1.00 5.24 H new ATOM 0 HB3 CYS A 41 -10.462 1.734 0.050 1.00 5.24 H new ATOM 0 HG CYS A 41 -7.502 0.143 -0.682 1.00 11.44 H new ATOM 669 N PHE A 42 -8.899 -1.791 -1.563 1.00 62.44 N ATOM 670 CA PHE A 42 -8.046 -2.602 -2.445 1.00 11.31 C ATOM 671 C PHE A 42 -8.811 -3.798 -3.047 1.00 35.13 C ATOM 672 O PHE A 42 -8.372 -4.390 -4.029 1.00 3.22 O ATOM 673 CB PHE A 42 -6.817 -3.116 -1.682 1.00 51.20 C ATOM 674 CG PHE A 42 -6.020 -2.032 -1.002 1.00 24.22 C ATOM 675 CD1 PHE A 42 -5.420 -1.018 -1.738 1.00 52.54 C ATOM 676 CD2 PHE A 42 -5.871 -2.028 0.380 1.00 61.00 C ATOM 677 CE1 PHE A 42 -4.690 -0.027 -1.111 1.00 13.42 C ATOM 678 CE2 PHE A 42 -5.143 -1.039 1.011 1.00 32.33 C ATOM 679 CZ PHE A 42 -4.549 -0.036 0.266 1.00 53.31 C ATOM 0 H PHE A 42 -8.763 -1.965 -0.567 1.00 62.44 H new ATOM 0 HA PHE A 42 -7.727 -1.955 -3.262 1.00 11.31 H new ATOM 0 HB2 PHE A 42 -7.143 -3.838 -0.933 1.00 51.20 H new ATOM 0 HB3 PHE A 42 -6.168 -3.649 -2.377 1.00 51.20 H new ATOM 0 HD1 PHE A 42 -5.526 -1.004 -2.813 1.00 52.54 H new ATOM 0 HD2 PHE A 42 -6.331 -2.809 0.968 1.00 61.00 H new ATOM 0 HE1 PHE A 42 -4.229 0.755 -1.696 1.00 13.42 H new ATOM 0 HE2 PHE A 42 -5.037 -1.048 2.086 1.00 32.33 H new ATOM 0 HZ PHE A 42 -3.977 0.737 0.757 1.00 53.31 H new ATOM 689 N LYS A 43 -9.943 -4.156 -2.444 1.00 4.05 N ATOM 690 CA LYS A 43 -10.743 -5.297 -2.912 1.00 13.02 C ATOM 691 C LYS A 43 -11.761 -4.847 -3.974 1.00 2.13 C ATOM 692 O LYS A 43 -11.756 -5.344 -5.102 1.00 73.33 O ATOM 693 CB LYS A 43 -11.452 -5.972 -1.720 1.00 30.04 C ATOM 694 CG LYS A 43 -11.953 -7.400 -1.983 1.00 61.23 C ATOM 695 CD LYS A 43 -13.189 -7.439 -2.882 1.00 35.33 C ATOM 696 CE LYS A 43 -13.696 -8.863 -3.095 1.00 11.02 C ATOM 697 NZ LYS A 43 -14.081 -9.518 -1.817 1.00 62.33 N ATOM 0 H LYS A 43 -10.330 -3.676 -1.631 1.00 4.05 H new ATOM 0 HA LYS A 43 -10.077 -6.025 -3.375 1.00 13.02 H new ATOM 0 HB2 LYS A 43 -10.765 -5.995 -0.874 1.00 30.04 H new ATOM 0 HB3 LYS A 43 -12.300 -5.355 -1.425 1.00 30.04 H new ATOM 0 HG2 LYS A 43 -11.155 -7.981 -2.445 1.00 61.23 H new ATOM 0 HG3 LYS A 43 -12.186 -7.879 -1.032 1.00 61.23 H new ATOM 0 HD2 LYS A 43 -13.980 -6.835 -2.437 1.00 35.33 H new ATOM 0 HD3 LYS A 43 -12.950 -6.991 -3.847 1.00 35.33 H new ATOM 0 HE2 LYS A 43 -14.555 -8.845 -3.765 1.00 11.02 H new ATOM 0 HE3 LYS A 43 -12.922 -9.453 -3.585 1.00 11.02 H new ATOM 0 HZ1 LYS A 43 -14.618 -10.385 -2.019 1.00 62.33 H new ATOM 0 HZ2 LYS A 43 -13.224 -9.759 -1.279 1.00 62.33 H new ATOM 0 HZ3 LYS A 43 -14.670 -8.868 -1.258 1.00 62.33 H new ATOM 711 N LYS A 44 -12.637 -3.909 -3.611 1.00 53.55 N ATOM 712 CA LYS A 44 -13.642 -3.391 -4.547 1.00 24.31 C ATOM 713 C LYS A 44 -13.400 -1.903 -4.851 1.00 21.40 C ATOM 714 O LYS A 44 -13.198 -1.097 -3.937 1.00 22.32 O ATOM 715 CB LYS A 44 -15.057 -3.607 -3.993 1.00 53.14 C ATOM 716 CG LYS A 44 -16.161 -3.223 -4.975 1.00 60.10 C ATOM 717 CD LYS A 44 -17.549 -3.563 -4.440 1.00 22.31 C ATOM 718 CE LYS A 44 -18.640 -3.193 -5.440 1.00 5.21 C ATOM 719 NZ LYS A 44 -18.447 -3.866 -6.752 1.00 1.44 N ATOM 0 H LYS A 44 -12.673 -3.493 -2.681 1.00 53.55 H new ATOM 0 HA LYS A 44 -13.549 -3.944 -5.482 1.00 24.31 H new ATOM 0 HB2 LYS A 44 -15.175 -4.655 -3.718 1.00 53.14 H new ATOM 0 HB3 LYS A 44 -15.174 -3.023 -3.080 1.00 53.14 H new ATOM 0 HG2 LYS A 44 -16.105 -2.155 -5.183 1.00 60.10 H new ATOM 0 HG3 LYS A 44 -16.001 -3.741 -5.921 1.00 60.10 H new ATOM 0 HD2 LYS A 44 -17.604 -4.629 -4.218 1.00 22.31 H new ATOM 0 HD3 LYS A 44 -17.718 -3.033 -3.503 1.00 22.31 H new ATOM 0 HE2 LYS A 44 -19.613 -3.467 -5.032 1.00 5.21 H new ATOM 0 HE3 LYS A 44 -18.647 -2.113 -5.585 1.00 5.21 H new ATOM 0 HZ1 LYS A 44 -19.317 -3.783 -7.316 1.00 1.44 H new ATOM 0 HZ2 LYS A 44 -17.660 -3.415 -7.261 1.00 1.44 H new ATOM 0 HZ3 LYS A 44 -18.229 -4.871 -6.598 1.00 1.44 H new ATOM 733 N ASP A 45 -13.445 -1.558 -6.141 1.00 64.41 N ATOM 734 CA ASP A 45 -13.084 -0.218 -6.629 1.00 70.53 C ATOM 735 C ASP A 45 -11.598 0.096 -6.329 1.00 31.20 C ATOM 736 O ASP A 45 -11.272 1.077 -5.654 1.00 73.35 O ATOM 737 CB ASP A 45 -14.015 0.849 -6.025 1.00 22.02 C ATOM 738 CG ASP A 45 -13.834 2.222 -6.658 1.00 3.35 C ATOM 739 OD1 ASP A 45 -14.308 2.422 -7.800 1.00 62.40 O ATOM 740 OD2 ASP A 45 -13.239 3.115 -6.017 1.00 74.15 O ATOM 0 H ASP A 45 -13.733 -2.199 -6.880 1.00 64.41 H new ATOM 0 HA ASP A 45 -13.213 -0.200 -7.711 1.00 70.53 H new ATOM 0 HB2 ASP A 45 -15.051 0.532 -6.148 1.00 22.02 H new ATOM 0 HB3 ASP A 45 -13.829 0.921 -4.953 1.00 22.02 H new ATOM 745 N PRO A 46 -10.669 -0.752 -6.835 1.00 71.34 N ATOM 746 CA PRO A 46 -9.234 -0.598 -6.589 1.00 30.13 C ATOM 747 C PRO A 46 -8.539 0.309 -7.621 1.00 4.02 C ATOM 748 O PRO A 46 -8.803 0.231 -8.824 1.00 22.43 O ATOM 749 CB PRO A 46 -8.733 -2.041 -6.698 1.00 53.12 C ATOM 750 CG PRO A 46 -9.621 -2.673 -7.723 1.00 71.43 C ATOM 751 CD PRO A 46 -10.944 -1.932 -7.678 1.00 15.13 C ATOM 0 HA PRO A 46 -9.022 -0.117 -5.634 1.00 30.13 H new ATOM 0 HB2 PRO A 46 -7.687 -2.075 -7.004 1.00 53.12 H new ATOM 0 HB3 PRO A 46 -8.802 -2.558 -5.741 1.00 53.12 H new ATOM 0 HG2 PRO A 46 -9.174 -2.606 -8.715 1.00 71.43 H new ATOM 0 HG3 PRO A 46 -9.764 -3.732 -7.509 1.00 71.43 H new ATOM 0 HD2 PRO A 46 -11.272 -1.641 -8.676 1.00 15.13 H new ATOM 0 HD3 PRO A 46 -11.733 -2.551 -7.251 1.00 15.13 H new ATOM 759 N SER A 47 -7.656 1.173 -7.134 1.00 1.11 N ATOM 760 CA SER A 47 -6.906 2.100 -7.989 1.00 62.45 C ATOM 761 C SER A 47 -5.854 2.852 -7.177 1.00 24.04 C ATOM 762 O SER A 47 -6.040 3.095 -5.980 1.00 3.23 O ATOM 763 CB SER A 47 -7.846 3.110 -8.670 1.00 35.33 C ATOM 764 OG SER A 47 -7.129 4.234 -9.166 1.00 4.21 O ATOM 0 H SER A 47 -7.437 1.255 -6.141 1.00 1.11 H new ATOM 0 HA SER A 47 -6.410 1.508 -8.758 1.00 62.45 H new ATOM 0 HB2 SER A 47 -8.374 2.623 -9.490 1.00 35.33 H new ATOM 0 HB3 SER A 47 -8.601 3.444 -7.958 1.00 35.33 H new ATOM 0 HG SER A 47 -7.753 4.857 -9.594 1.00 4.21 H new ATOM 770 N ILE A 48 -4.752 3.211 -7.824 1.00 21.53 N ATOM 771 CA ILE A 48 -3.702 3.997 -7.175 1.00 72.31 C ATOM 772 C ILE A 48 -4.270 5.318 -6.636 1.00 25.41 C ATOM 773 O ILE A 48 -4.151 5.618 -5.451 1.00 11.31 O ATOM 774 CB ILE A 48 -2.525 4.292 -8.144 1.00 5.13 C ATOM 775 CG1 ILE A 48 -1.918 2.979 -8.674 1.00 3.42 C ATOM 776 CG2 ILE A 48 -1.455 5.143 -7.459 1.00 53.32 C ATOM 777 CD1 ILE A 48 -1.354 2.073 -7.595 1.00 60.31 C ATOM 0 H ILE A 48 -4.559 2.972 -8.797 1.00 21.53 H new ATOM 0 HA ILE A 48 -3.320 3.403 -6.345 1.00 72.31 H new ATOM 0 HB ILE A 48 -2.915 4.857 -8.991 1.00 5.13 H new ATOM 0 HG12 ILE A 48 -2.684 2.434 -9.226 1.00 3.42 H new ATOM 0 HG13 ILE A 48 -1.125 3.219 -9.382 1.00 3.42 H new ATOM 0 HG21 ILE A 48 -0.641 5.336 -8.158 1.00 53.32 H new ATOM 0 HG22 ILE A 48 -1.892 6.089 -7.140 1.00 53.32 H new ATOM 0 HG23 ILE A 48 -1.068 4.611 -6.590 1.00 53.32 H new ATOM 0 HD11 ILE A 48 -0.947 1.172 -8.053 1.00 60.31 H new ATOM 0 HD12 ILE A 48 -0.563 2.596 -7.058 1.00 60.31 H new ATOM 0 HD13 ILE A 48 -2.147 1.800 -6.898 1.00 60.31 H new ATOM 789 N LYS A 49 -4.928 6.084 -7.503 1.00 74.11 N ATOM 790 CA LYS A 49 -5.502 7.374 -7.108 1.00 41.40 C ATOM 791 C LYS A 49 -6.714 7.207 -6.171 1.00 64.41 C ATOM 792 O LYS A 49 -6.888 7.987 -5.233 1.00 60.54 O ATOM 793 CB LYS A 49 -5.892 8.188 -8.350 1.00 55.22 C ATOM 794 CG LYS A 49 -4.699 8.588 -9.216 1.00 33.01 C ATOM 795 CD LYS A 49 -3.688 9.424 -8.433 1.00 32.23 C ATOM 796 CE LYS A 49 -2.486 9.813 -9.287 1.00 74.22 C ATOM 797 NZ LYS A 49 -2.859 10.686 -10.436 1.00 22.13 N ATOM 0 H LYS A 49 -5.078 5.838 -8.481 1.00 74.11 H new ATOM 0 HA LYS A 49 -4.736 7.915 -6.553 1.00 41.40 H new ATOM 0 HB2 LYS A 49 -6.589 7.605 -8.952 1.00 55.22 H new ATOM 0 HB3 LYS A 49 -6.419 9.088 -8.034 1.00 55.22 H new ATOM 0 HG2 LYS A 49 -4.211 7.692 -9.600 1.00 33.01 H new ATOM 0 HG3 LYS A 49 -5.049 9.154 -10.079 1.00 33.01 H new ATOM 0 HD2 LYS A 49 -4.174 10.325 -8.060 1.00 32.23 H new ATOM 0 HD3 LYS A 49 -3.348 8.861 -7.563 1.00 32.23 H new ATOM 0 HE2 LYS A 49 -1.755 10.330 -8.665 1.00 74.22 H new ATOM 0 HE3 LYS A 49 -2.004 8.910 -9.663 1.00 74.22 H new ATOM 0 HZ1 LYS A 49 -1.997 11.045 -10.893 1.00 22.13 H new ATOM 0 HZ2 LYS A 49 -3.413 10.137 -11.124 1.00 22.13 H new ATOM 0 HZ3 LYS A 49 -3.428 11.486 -10.094 1.00 22.13 H new ATOM 811 N SER A 50 -7.544 6.189 -6.422 1.00 50.11 N ATOM 812 CA SER A 50 -8.731 5.928 -5.575 1.00 14.54 C ATOM 813 C SER A 50 -8.332 5.564 -4.138 1.00 51.24 C ATOM 814 O SER A 50 -9.059 5.856 -3.188 1.00 30.53 O ATOM 815 CB SER A 50 -9.605 4.807 -6.163 1.00 31.12 C ATOM 816 OG SER A 50 -10.747 4.559 -5.352 1.00 45.23 O ATOM 0 H SER A 50 -7.425 5.534 -7.195 1.00 50.11 H new ATOM 0 HA SER A 50 -9.308 6.852 -5.554 1.00 14.54 H new ATOM 0 HB2 SER A 50 -9.924 5.082 -7.168 1.00 31.12 H new ATOM 0 HB3 SER A 50 -9.016 3.894 -6.254 1.00 31.12 H new ATOM 0 HG SER A 50 -11.403 4.038 -5.861 1.00 45.23 H new ATOM 822 N SER A 51 -7.175 4.929 -3.979 1.00 35.21 N ATOM 823 CA SER A 51 -6.668 4.577 -2.646 1.00 12.22 C ATOM 824 C SER A 51 -5.962 5.772 -1.988 1.00 31.54 C ATOM 825 O SER A 51 -6.234 6.100 -0.830 1.00 33.04 O ATOM 826 CB SER A 51 -5.706 3.386 -2.732 1.00 1.54 C ATOM 827 OG SER A 51 -4.582 3.692 -3.539 1.00 44.30 O ATOM 0 H SER A 51 -6.569 4.646 -4.749 1.00 35.21 H new ATOM 0 HA SER A 51 -7.523 4.299 -2.029 1.00 12.22 H new ATOM 0 HB2 SER A 51 -5.374 3.110 -1.731 1.00 1.54 H new ATOM 0 HB3 SER A 51 -6.228 2.522 -3.144 1.00 1.54 H new ATOM 0 HG SER A 51 -4.850 3.704 -4.482 1.00 44.30 H new ATOM 833 N LEU A 52 -5.065 6.426 -2.733 1.00 65.41 N ATOM 834 CA LEU A 52 -4.320 7.595 -2.230 1.00 11.03 C ATOM 835 C LEU A 52 -5.244 8.652 -1.600 1.00 52.33 C ATOM 836 O LEU A 52 -4.966 9.146 -0.507 1.00 62.30 O ATOM 837 CB LEU A 52 -3.488 8.235 -3.354 1.00 54.35 C ATOM 838 CG LEU A 52 -2.303 7.397 -3.865 1.00 3.20 C ATOM 839 CD1 LEU A 52 -1.569 8.124 -4.989 1.00 55.34 C ATOM 840 CD2 LEU A 52 -1.342 7.061 -2.724 1.00 4.53 C ATOM 0 H LEU A 52 -4.833 6.167 -3.692 1.00 65.41 H new ATOM 0 HA LEU A 52 -3.654 7.229 -1.449 1.00 11.03 H new ATOM 0 HB2 LEU A 52 -4.149 8.447 -4.195 1.00 54.35 H new ATOM 0 HB3 LEU A 52 -3.106 9.192 -2.999 1.00 54.35 H new ATOM 0 HG LEU A 52 -2.698 6.463 -4.264 1.00 3.20 H new ATOM 0 HD11 LEU A 52 -0.735 7.513 -5.334 1.00 55.34 H new ATOM 0 HD12 LEU A 52 -2.256 8.302 -5.817 1.00 55.34 H new ATOM 0 HD13 LEU A 52 -1.191 9.077 -4.620 1.00 55.34 H new ATOM 0 HD21 LEU A 52 -0.513 6.468 -3.110 1.00 4.53 H new ATOM 0 HD22 LEU A 52 -0.957 7.983 -2.289 1.00 4.53 H new ATOM 0 HD23 LEU A 52 -1.870 6.492 -1.959 1.00 4.53 H new ATOM 852 N LYS A 53 -6.346 8.990 -2.279 1.00 13.00 N ATOM 853 CA LYS A 53 -7.291 9.996 -1.762 1.00 14.32 C ATOM 854 C LYS A 53 -7.791 9.627 -0.351 1.00 62.12 C ATOM 855 O LYS A 53 -8.039 10.498 0.485 1.00 62.33 O ATOM 856 CB LYS A 53 -8.486 10.172 -2.717 1.00 52.41 C ATOM 857 CG LYS A 53 -9.366 8.931 -2.854 1.00 25.03 C ATOM 858 CD LYS A 53 -10.575 9.181 -3.759 1.00 23.23 C ATOM 859 CE LYS A 53 -11.464 7.947 -3.868 1.00 14.03 C ATOM 860 NZ LYS A 53 -12.668 8.200 -4.700 1.00 11.14 N ATOM 0 H LYS A 53 -6.607 8.588 -3.179 1.00 13.00 H new ATOM 0 HA LYS A 53 -6.753 10.942 -1.697 1.00 14.32 H new ATOM 0 HB2 LYS A 53 -9.099 11.001 -2.365 1.00 52.41 H new ATOM 0 HB3 LYS A 53 -8.111 10.449 -3.703 1.00 52.41 H new ATOM 0 HG2 LYS A 53 -8.774 8.110 -3.259 1.00 25.03 H new ATOM 0 HG3 LYS A 53 -9.710 8.620 -1.868 1.00 25.03 H new ATOM 0 HD2 LYS A 53 -11.157 10.015 -3.366 1.00 23.23 H new ATOM 0 HD3 LYS A 53 -10.232 9.471 -4.752 1.00 23.23 H new ATOM 0 HE2 LYS A 53 -10.892 7.125 -4.299 1.00 14.03 H new ATOM 0 HE3 LYS A 53 -11.772 7.633 -2.871 1.00 14.03 H new ATOM 0 HZ1 LYS A 53 -13.245 7.336 -4.748 1.00 11.14 H new ATOM 0 HZ2 LYS A 53 -13.228 8.967 -4.276 1.00 11.14 H new ATOM 0 HZ3 LYS A 53 -12.375 8.475 -5.659 1.00 11.14 H new ATOM 874 N PHE A 54 -7.921 8.330 -0.088 1.00 73.30 N ATOM 875 CA PHE A 54 -8.336 7.847 1.229 1.00 55.53 C ATOM 876 C PHE A 54 -7.160 7.897 2.219 1.00 3.43 C ATOM 877 O PHE A 54 -7.312 8.335 3.363 1.00 13.43 O ATOM 878 CB PHE A 54 -8.873 6.414 1.114 1.00 73.34 C ATOM 879 CG PHE A 54 -9.408 5.854 2.410 1.00 75.11 C ATOM 880 CD1 PHE A 54 -10.707 6.127 2.815 1.00 12.12 C ATOM 881 CD2 PHE A 54 -8.611 5.061 3.227 1.00 70.32 C ATOM 882 CE1 PHE A 54 -11.199 5.620 4.001 1.00 52.01 C ATOM 883 CE2 PHE A 54 -9.100 4.554 4.417 1.00 45.41 C ATOM 884 CZ PHE A 54 -10.395 4.834 4.804 1.00 4.52 C ATOM 0 H PHE A 54 -7.745 7.592 -0.770 1.00 73.30 H new ATOM 0 HA PHE A 54 -9.128 8.495 1.605 1.00 55.53 H new ATOM 0 HB2 PHE A 54 -9.666 6.393 0.366 1.00 73.34 H new ATOM 0 HB3 PHE A 54 -8.075 5.766 0.752 1.00 73.34 H new ATOM 0 HD1 PHE A 54 -11.341 6.744 2.195 1.00 12.12 H new ATOM 0 HD2 PHE A 54 -7.597 4.838 2.929 1.00 70.32 H new ATOM 0 HE1 PHE A 54 -12.213 5.838 4.301 1.00 52.01 H new ATOM 0 HE2 PHE A 54 -8.469 3.940 5.043 1.00 45.41 H new ATOM 0 HZ PHE A 54 -10.779 4.439 5.733 1.00 4.52 H new ATOM 894 N LEU A 55 -5.987 7.461 1.759 1.00 72.33 N ATOM 895 CA LEU A 55 -4.772 7.435 2.586 1.00 51.15 C ATOM 896 C LEU A 55 -4.353 8.850 3.036 1.00 53.03 C ATOM 897 O LEU A 55 -3.804 9.026 4.122 1.00 33.35 O ATOM 898 CB LEU A 55 -3.621 6.776 1.807 1.00 43.45 C ATOM 899 CG LEU A 55 -3.907 5.356 1.279 1.00 12.43 C ATOM 900 CD1 LEU A 55 -2.732 4.828 0.459 1.00 42.25 C ATOM 901 CD2 LEU A 55 -4.233 4.405 2.428 1.00 44.25 C ATOM 0 H LEU A 55 -5.848 7.117 0.809 1.00 72.33 H new ATOM 0 HA LEU A 55 -4.994 6.853 3.480 1.00 51.15 H new ATOM 0 HB2 LEU A 55 -3.365 7.415 0.962 1.00 43.45 H new ATOM 0 HB3 LEU A 55 -2.744 6.735 2.453 1.00 43.45 H new ATOM 0 HG LEU A 55 -4.777 5.412 0.624 1.00 12.43 H new ATOM 0 HD11 LEU A 55 -2.961 3.825 0.099 1.00 42.25 H new ATOM 0 HD12 LEU A 55 -2.556 5.487 -0.391 1.00 42.25 H new ATOM 0 HD13 LEU A 55 -1.839 4.795 1.083 1.00 42.25 H new ATOM 0 HD21 LEU A 55 -4.431 3.409 2.031 1.00 44.25 H new ATOM 0 HD22 LEU A 55 -3.387 4.360 3.114 1.00 44.25 H new ATOM 0 HD23 LEU A 55 -5.113 4.765 2.960 1.00 44.25 H new ATOM 913 N ARG A 56 -4.624 9.852 2.194 1.00 23.04 N ATOM 914 CA ARG A 56 -4.289 11.254 2.503 1.00 62.34 C ATOM 915 C ARG A 56 -4.856 11.708 3.862 1.00 75.22 C ATOM 916 O ARG A 56 -4.184 12.398 4.632 1.00 73.12 O ATOM 917 CB ARG A 56 -4.815 12.184 1.396 1.00 75.20 C ATOM 918 CG ARG A 56 -4.066 12.079 0.069 1.00 25.42 C ATOM 919 CD ARG A 56 -4.670 12.999 -0.989 1.00 10.21 C ATOM 920 NE ARG A 56 -4.740 14.387 -0.535 1.00 44.05 N ATOM 921 CZ ARG A 56 -5.356 15.346 -1.176 1.00 41.42 C ATOM 922 NH1 ARG A 56 -5.946 15.123 -2.311 1.00 71.31 N ATOM 923 NH2 ARG A 56 -5.373 16.534 -0.671 1.00 14.34 N ATOM 0 H ARG A 56 -5.076 9.722 1.289 1.00 23.04 H new ATOM 0 HA ARG A 56 -3.202 11.314 2.558 1.00 62.34 H new ATOM 0 HB2 ARG A 56 -5.868 11.962 1.223 1.00 75.20 H new ATOM 0 HB3 ARG A 56 -4.761 13.214 1.748 1.00 75.20 H new ATOM 0 HG2 ARG A 56 -3.018 12.336 0.220 1.00 25.42 H new ATOM 0 HG3 ARG A 56 -4.094 11.048 -0.285 1.00 25.42 H new ATOM 0 HD2 ARG A 56 -4.073 12.945 -1.899 1.00 10.21 H new ATOM 0 HD3 ARG A 56 -5.671 12.650 -1.243 1.00 10.21 H new ATOM 0 HE ARG A 56 -4.276 14.624 0.342 1.00 44.05 H new ATOM 0 HH11 ARG A 56 -5.934 14.187 -2.717 1.00 71.31 H new ATOM 0 HH12 ARG A 56 -6.422 15.884 -2.797 1.00 71.31 H new ATOM 0 HH21 ARG A 56 -4.909 16.717 0.219 1.00 14.34 H new ATOM 0 HH22 ARG A 56 -5.850 17.290 -1.162 1.00 14.34 H new ATOM 937 N LYS A 57 -6.097 11.327 4.142 1.00 32.33 N ATOM 938 CA LYS A 57 -6.774 11.734 5.383 1.00 61.52 C ATOM 939 C LYS A 57 -6.891 10.573 6.383 1.00 14.31 C ATOM 940 O LYS A 57 -7.503 10.713 7.444 1.00 13.51 O ATOM 941 CB LYS A 57 -8.164 12.308 5.057 1.00 52.03 C ATOM 942 CG LYS A 57 -8.995 11.426 4.130 1.00 51.31 C ATOM 943 CD LYS A 57 -10.337 12.074 3.797 1.00 0.23 C ATOM 944 CE LYS A 57 -11.100 11.288 2.739 1.00 43.33 C ATOM 945 NZ LYS A 57 -10.371 11.250 1.442 1.00 3.20 N ATOM 0 H LYS A 57 -6.661 10.737 3.531 1.00 32.33 H new ATOM 0 HA LYS A 57 -6.166 12.505 5.857 1.00 61.52 H new ATOM 0 HB2 LYS A 57 -8.712 12.458 5.987 1.00 52.03 H new ATOM 0 HB3 LYS A 57 -8.043 13.289 4.597 1.00 52.03 H new ATOM 0 HG2 LYS A 57 -8.441 11.240 3.210 1.00 51.31 H new ATOM 0 HG3 LYS A 57 -9.164 10.458 4.602 1.00 51.31 H new ATOM 0 HD2 LYS A 57 -10.940 12.145 4.702 1.00 0.23 H new ATOM 0 HD3 LYS A 57 -10.171 13.092 3.444 1.00 0.23 H new ATOM 0 HE2 LYS A 57 -11.266 10.270 3.092 1.00 43.33 H new ATOM 0 HE3 LYS A 57 -12.082 11.738 2.591 1.00 43.33 H new ATOM 0 HZ1 LYS A 57 -10.967 10.795 0.722 1.00 3.20 H new ATOM 0 HZ2 LYS A 57 -10.145 12.220 1.142 1.00 3.20 H new ATOM 0 HZ3 LYS A 57 -9.490 10.709 1.555 1.00 3.20 H new ATOM 959 N THR A 58 -6.282 9.435 6.058 1.00 62.11 N ATOM 960 CA THR A 58 -6.294 8.270 6.955 1.00 54.41 C ATOM 961 C THR A 58 -4.863 7.818 7.284 1.00 61.44 C ATOM 962 O THR A 58 -4.264 7.012 6.567 1.00 2.44 O ATOM 963 CB THR A 58 -7.090 7.084 6.357 1.00 71.23 C ATOM 964 OG1 THR A 58 -8.401 7.520 5.963 1.00 64.04 O ATOM 965 CG2 THR A 58 -7.224 5.950 7.366 1.00 12.23 C ATOM 0 H THR A 58 -5.775 9.290 5.185 1.00 62.11 H new ATOM 0 HA THR A 58 -6.793 8.584 7.872 1.00 54.41 H new ATOM 0 HB THR A 58 -6.544 6.719 5.487 1.00 71.23 H new ATOM 0 HG1 THR A 58 -8.366 7.881 5.052 1.00 64.04 H new ATOM 0 HG21 THR A 58 -7.787 5.130 6.920 1.00 12.23 H new ATOM 0 HG22 THR A 58 -6.233 5.597 7.650 1.00 12.23 H new ATOM 0 HG23 THR A 58 -7.748 6.311 8.251 1.00 12.23 H new ATOM 973 N ASP A 59 -4.325 8.350 8.377 1.00 42.05 N ATOM 974 CA ASP A 59 -2.925 8.134 8.762 1.00 14.02 C ATOM 975 C ASP A 59 -2.589 6.639 8.943 1.00 2.43 C ATOM 976 O ASP A 59 -1.651 6.128 8.323 1.00 75.04 O ATOM 977 CB ASP A 59 -2.631 8.907 10.052 1.00 32.24 C ATOM 978 CG ASP A 59 -1.168 8.851 10.456 1.00 32.54 C ATOM 979 OD1 ASP A 59 -0.363 9.622 9.896 1.00 2.41 O ATOM 980 OD2 ASP A 59 -0.820 8.051 11.348 1.00 54.34 O ATOM 0 H ASP A 59 -4.843 8.944 9.024 1.00 42.05 H new ATOM 0 HA ASP A 59 -2.294 8.502 7.953 1.00 14.02 H new ATOM 0 HB2 ASP A 59 -2.927 9.948 9.921 1.00 32.24 H new ATOM 0 HB3 ASP A 59 -3.241 8.502 10.859 1.00 32.24 H new ATOM 985 N TRP A 60 -3.359 5.944 9.782 1.00 23.30 N ATOM 986 CA TRP A 60 -3.089 4.530 10.092 1.00 63.12 C ATOM 987 C TRP A 60 -3.130 3.643 8.834 1.00 12.22 C ATOM 988 O TRP A 60 -2.396 2.658 8.736 1.00 53.32 O ATOM 989 CB TRP A 60 -4.071 4.000 11.155 1.00 73.11 C ATOM 990 CG TRP A 60 -5.517 4.039 10.741 1.00 12.32 C ATOM 991 CD1 TRP A 60 -6.398 5.072 10.911 1.00 33.02 C ATOM 992 CD2 TRP A 60 -6.256 2.989 10.099 1.00 3.03 C ATOM 993 NE1 TRP A 60 -7.628 4.730 10.408 1.00 65.11 N ATOM 994 CE2 TRP A 60 -7.568 3.458 9.909 1.00 31.14 C ATOM 995 CE3 TRP A 60 -5.930 1.699 9.666 1.00 24.53 C ATOM 996 CZ2 TRP A 60 -8.554 2.684 9.303 1.00 13.11 C ATOM 997 CZ3 TRP A 60 -6.911 0.931 9.063 1.00 15.12 C ATOM 998 CH2 TRP A 60 -8.209 1.426 8.890 1.00 4.10 C ATOM 0 H TRP A 60 -4.173 6.331 10.260 1.00 23.30 H new ATOM 0 HA TRP A 60 -2.077 4.482 10.495 1.00 63.12 H new ATOM 0 HB2 TRP A 60 -3.803 2.972 11.399 1.00 73.11 H new ATOM 0 HB3 TRP A 60 -3.951 4.585 12.067 1.00 73.11 H new ATOM 0 HD1 TRP A 60 -6.160 6.018 11.374 1.00 33.02 H new ATOM 0 HE1 TRP A 60 -8.454 5.328 10.406 1.00 65.11 H new ATOM 0 HE3 TRP A 60 -4.931 1.310 9.800 1.00 24.53 H new ATOM 0 HZ2 TRP A 60 -9.556 3.063 9.164 1.00 13.11 H new ATOM 0 HZ3 TRP A 60 -6.672 -0.065 8.721 1.00 15.12 H new ATOM 0 HH2 TRP A 60 -8.954 0.801 8.420 1.00 4.10 H new ATOM 1009 N ALA A 61 -3.977 4.000 7.868 1.00 62.02 N ATOM 1010 CA ALA A 61 -4.070 3.246 6.613 1.00 70.34 C ATOM 1011 C ALA A 61 -2.743 3.285 5.842 1.00 74.34 C ATOM 1012 O ALA A 61 -2.220 2.244 5.439 1.00 34.34 O ATOM 1013 CB ALA A 61 -5.207 3.774 5.750 1.00 71.04 C ATOM 0 H ALA A 61 -4.606 4.801 7.927 1.00 62.02 H new ATOM 0 HA ALA A 61 -4.282 2.207 6.864 1.00 70.34 H new ATOM 0 HB1 ALA A 61 -5.258 3.201 4.824 1.00 71.04 H new ATOM 0 HB2 ALA A 61 -6.149 3.676 6.290 1.00 71.04 H new ATOM 0 HB3 ALA A 61 -5.030 4.824 5.517 1.00 71.04 H new ATOM 1019 N ARG A 62 -2.193 4.488 5.647 1.00 72.34 N ATOM 1020 CA ARG A 62 -0.880 4.630 5.008 1.00 43.04 C ATOM 1021 C ARG A 62 0.206 3.916 5.829 1.00 52.24 C ATOM 1022 O ARG A 62 1.039 3.193 5.278 1.00 43.01 O ATOM 1023 CB ARG A 62 -0.499 6.110 4.829 1.00 15.51 C ATOM 1024 CG ARG A 62 0.941 6.290 4.349 1.00 12.03 C ATOM 1025 CD ARG A 62 1.390 7.747 4.310 1.00 62.30 C ATOM 1026 NE ARG A 62 2.842 7.829 4.171 1.00 10.42 N ATOM 1027 CZ ARG A 62 3.507 8.895 3.837 1.00 64.35 C ATOM 1028 NH1 ARG A 62 2.896 9.996 3.538 1.00 43.24 N ATOM 1029 NH2 ARG A 62 4.797 8.844 3.786 1.00 1.53 N ATOM 0 H ARG A 62 -2.630 5.368 5.919 1.00 72.34 H new ATOM 0 HA ARG A 62 -0.948 4.168 4.023 1.00 43.04 H new ATOM 0 HB2 ARG A 62 -1.178 6.572 4.112 1.00 15.51 H new ATOM 0 HB3 ARG A 62 -0.631 6.633 5.776 1.00 15.51 H new ATOM 0 HG2 ARG A 62 1.607 5.730 5.005 1.00 12.03 H new ATOM 0 HG3 ARG A 62 1.040 5.860 3.352 1.00 12.03 H new ATOM 0 HD2 ARG A 62 0.909 8.260 3.477 1.00 62.30 H new ATOM 0 HD3 ARG A 62 1.076 8.255 5.222 1.00 62.30 H new ATOM 0 HE ARG A 62 3.378 6.980 4.351 1.00 10.42 H new ATOM 0 HH11 ARG A 62 1.877 10.037 3.562 1.00 43.24 H new ATOM 0 HH12 ARG A 62 3.433 10.823 3.278 1.00 43.24 H new ATOM 0 HH21 ARG A 62 5.282 7.974 4.006 1.00 1.53 H new ATOM 0 HH22 ARG A 62 5.330 9.673 3.525 1.00 1.53 H new ATOM 1043 N GLU A 63 0.180 4.121 7.147 1.00 74.42 N ATOM 1044 CA GLU A 63 1.136 3.477 8.055 1.00 71.33 C ATOM 1045 C GLU A 63 1.204 1.962 7.825 1.00 1.42 C ATOM 1046 O GLU A 63 2.289 1.379 7.793 1.00 33.43 O ATOM 1047 CB GLU A 63 0.771 3.756 9.521 1.00 11.02 C ATOM 1048 CG GLU A 63 0.966 5.205 9.946 1.00 55.43 C ATOM 1049 CD GLU A 63 2.407 5.664 9.799 1.00 45.53 C ATOM 1050 OE1 GLU A 63 3.298 5.044 10.420 1.00 72.20 O ATOM 1051 OE2 GLU A 63 2.660 6.646 9.071 1.00 31.22 O ATOM 0 H GLU A 63 -0.494 4.729 7.612 1.00 74.42 H new ATOM 0 HA GLU A 63 2.116 3.903 7.840 1.00 71.33 H new ATOM 0 HB2 GLU A 63 -0.270 3.478 9.684 1.00 11.02 H new ATOM 0 HB3 GLU A 63 1.376 3.116 10.163 1.00 11.02 H new ATOM 0 HG2 GLU A 63 0.320 5.847 9.346 1.00 55.43 H new ATOM 0 HG3 GLU A 63 0.655 5.321 10.984 1.00 55.43 H new ATOM 1058 N ARG A 64 0.041 1.333 7.664 1.00 73.10 N ATOM 1059 CA ARG A 64 -0.023 -0.106 7.398 1.00 0.04 C ATOM 1060 C ARG A 64 0.552 -0.453 6.017 1.00 15.13 C ATOM 1061 O ARG A 64 1.302 -1.419 5.878 1.00 33.43 O ATOM 1062 CB ARG A 64 -1.466 -0.618 7.516 1.00 52.32 C ATOM 1063 CG ARG A 64 -2.046 -0.526 8.930 1.00 15.10 C ATOM 1064 CD ARG A 64 -2.997 -1.683 9.216 1.00 40.12 C ATOM 1065 NE ARG A 64 -2.339 -2.967 8.987 1.00 0.21 N ATOM 1066 CZ ARG A 64 -2.958 -4.079 8.715 1.00 32.14 C ATOM 1067 NH1 ARG A 64 -4.249 -4.148 8.745 1.00 75.32 N ATOM 1068 NH2 ARG A 64 -2.271 -5.136 8.435 1.00 21.12 N ATOM 0 H ARG A 64 -0.868 1.794 7.713 1.00 73.10 H new ATOM 0 HA ARG A 64 0.589 -0.603 8.151 1.00 0.04 H new ATOM 0 HB2 ARG A 64 -2.100 -0.048 6.837 1.00 52.32 H new ATOM 0 HB3 ARG A 64 -1.500 -1.657 7.187 1.00 52.32 H new ATOM 0 HG2 ARG A 64 -1.235 -0.530 9.659 1.00 15.10 H new ATOM 0 HG3 ARG A 64 -2.575 0.420 9.047 1.00 15.10 H new ATOM 0 HD2 ARG A 64 -3.345 -1.627 10.248 1.00 40.12 H new ATOM 0 HD3 ARG A 64 -3.877 -1.602 8.578 1.00 40.12 H new ATOM 0 HE ARG A 64 -1.321 -2.994 9.044 1.00 0.21 H new ATOM 0 HH11 ARG A 64 -4.798 -3.323 8.985 1.00 75.32 H new ATOM 0 HH12 ARG A 64 -4.718 -5.028 8.529 1.00 75.32 H new ATOM 0 HH21 ARG A 64 -1.252 -5.095 8.428 1.00 21.12 H new ATOM 0 HH22 ARG A 64 -2.748 -6.012 8.221 1.00 21.12 H new ATOM 1082 N VAL A 65 0.204 0.335 5.002 1.00 53.33 N ATOM 1083 CA VAL A 65 0.723 0.118 3.642 1.00 24.33 C ATOM 1084 C VAL A 65 2.262 0.142 3.623 1.00 54.31 C ATOM 1085 O VAL A 65 2.906 -0.769 3.093 1.00 72.24 O ATOM 1086 CB VAL A 65 0.175 1.181 2.653 1.00 30.34 C ATOM 1087 CG1 VAL A 65 0.768 0.992 1.256 1.00 62.33 C ATOM 1088 CG2 VAL A 65 -1.349 1.125 2.600 1.00 65.14 C ATOM 0 H VAL A 65 -0.432 1.128 5.089 1.00 53.33 H new ATOM 0 HA VAL A 65 0.382 -0.867 3.323 1.00 24.33 H new ATOM 0 HB VAL A 65 0.475 2.164 3.015 1.00 30.34 H new ATOM 0 HG11 VAL A 65 0.366 1.751 0.584 1.00 62.33 H new ATOM 0 HG12 VAL A 65 1.853 1.089 1.305 1.00 62.33 H new ATOM 0 HG13 VAL A 65 0.509 0.002 0.882 1.00 62.33 H new ATOM 0 HG21 VAL A 65 -1.717 1.877 1.902 1.00 65.14 H new ATOM 0 HG22 VAL A 65 -1.665 0.136 2.268 1.00 65.14 H new ATOM 0 HG23 VAL A 65 -1.755 1.322 3.592 1.00 65.14 H new ATOM 1098 N GLU A 66 2.844 1.179 4.219 1.00 63.23 N ATOM 1099 CA GLU A 66 4.303 1.294 4.313 1.00 42.53 C ATOM 1100 C GLU A 66 4.892 0.188 5.208 1.00 45.55 C ATOM 1101 O GLU A 66 5.984 -0.318 4.948 1.00 14.22 O ATOM 1102 CB GLU A 66 4.693 2.678 4.848 1.00 33.44 C ATOM 1103 CG GLU A 66 4.176 3.830 3.990 1.00 35.54 C ATOM 1104 CD GLU A 66 4.593 5.196 4.516 1.00 51.11 C ATOM 1105 OE1 GLU A 66 4.053 5.629 5.553 1.00 64.33 O ATOM 1106 OE2 GLU A 66 5.455 5.850 3.891 1.00 41.32 O ATOM 0 H GLU A 66 2.332 1.952 4.644 1.00 63.23 H new ATOM 0 HA GLU A 66 4.717 1.172 3.312 1.00 42.53 H new ATOM 0 HB2 GLU A 66 4.308 2.789 5.862 1.00 33.44 H new ATOM 0 HB3 GLU A 66 5.779 2.742 4.911 1.00 33.44 H new ATOM 0 HG2 GLU A 66 4.545 3.711 2.971 1.00 35.54 H new ATOM 0 HG3 GLU A 66 3.088 3.781 3.943 1.00 35.54 H new ATOM 1113 N ASN A 67 4.158 -0.189 6.258 1.00 43.12 N ATOM 1114 CA ASN A 67 4.570 -1.286 7.149 1.00 21.11 C ATOM 1115 C ASN A 67 4.620 -2.626 6.392 1.00 72.55 C ATOM 1116 O ASN A 67 5.473 -3.473 6.662 1.00 21.41 O ATOM 1117 CB ASN A 67 3.614 -1.383 8.348 1.00 74.41 C ATOM 1118 CG ASN A 67 4.016 -2.458 9.346 1.00 23.04 C ATOM 1119 OD1 ASN A 67 5.189 -2.789 9.496 1.00 73.43 O ATOM 1120 ND2 ASN A 67 3.045 -3.010 10.042 1.00 60.42 N ATOM 0 H ASN A 67 3.273 0.248 6.516 1.00 43.12 H new ATOM 0 HA ASN A 67 5.574 -1.069 7.514 1.00 21.11 H new ATOM 0 HB2 ASN A 67 3.579 -0.419 8.856 1.00 74.41 H new ATOM 0 HB3 ASN A 67 2.607 -1.590 7.986 1.00 74.41 H new ATOM 0 HD21 ASN A 67 3.257 -3.734 10.728 1.00 60.42 H new ATOM 0 HD22 ASN A 67 2.080 -2.714 9.895 1.00 60.42 H new ATOM 1127 N ILE A 68 3.702 -2.812 5.443 1.00 10.14 N ATOM 1128 CA ILE A 68 3.731 -3.984 4.559 1.00 35.31 C ATOM 1129 C ILE A 68 4.980 -3.953 3.662 1.00 44.12 C ATOM 1130 O ILE A 68 5.611 -4.981 3.420 1.00 52.25 O ATOM 1131 CB ILE A 68 2.452 -4.066 3.681 1.00 61.45 C ATOM 1132 CG1 ILE A 68 1.207 -4.259 4.568 1.00 71.21 C ATOM 1133 CG2 ILE A 68 2.563 -5.198 2.655 1.00 0.31 C ATOM 1134 CD1 ILE A 68 -0.102 -4.262 3.804 1.00 70.05 C ATOM 0 H ILE A 68 2.930 -2.170 5.265 1.00 10.14 H new ATOM 0 HA ILE A 68 3.767 -4.871 5.192 1.00 35.31 H new ATOM 0 HB ILE A 68 2.351 -3.127 3.136 1.00 61.45 H new ATOM 0 HG12 ILE A 68 1.302 -5.201 5.109 1.00 71.21 H new ATOM 0 HG13 ILE A 68 1.178 -3.464 5.314 1.00 71.21 H new ATOM 0 HG21 ILE A 68 1.655 -5.234 2.053 1.00 0.31 H new ATOM 0 HG22 ILE A 68 3.421 -5.019 2.007 1.00 0.31 H new ATOM 0 HG23 ILE A 68 2.692 -6.148 3.174 1.00 0.31 H new ATOM 0 HD11 ILE A 68 -0.929 -4.403 4.500 1.00 70.05 H new ATOM 0 HD12 ILE A 68 -0.222 -3.311 3.285 1.00 70.05 H new ATOM 0 HD13 ILE A 68 -0.097 -5.074 3.077 1.00 70.05 H new ATOM 1146 N TYR A 69 5.334 -2.760 3.182 1.00 15.42 N ATOM 1147 CA TYR A 69 6.561 -2.570 2.400 1.00 41.52 C ATOM 1148 C TYR A 69 7.805 -2.913 3.242 1.00 11.51 C ATOM 1149 O TYR A 69 8.793 -3.446 2.730 1.00 32.41 O ATOM 1150 CB TYR A 69 6.638 -1.124 1.888 1.00 4.14 C ATOM 1151 CG TYR A 69 7.796 -0.861 0.941 1.00 72.53 C ATOM 1152 CD1 TYR A 69 7.774 -1.343 -0.363 1.00 73.34 C ATOM 1153 CD2 TYR A 69 8.907 -0.127 1.349 1.00 44.32 C ATOM 1154 CE1 TYR A 69 8.822 -1.106 -1.231 1.00 32.42 C ATOM 1155 CE2 TYR A 69 9.958 0.114 0.486 1.00 51.41 C ATOM 1156 CZ TYR A 69 9.911 -0.378 -0.802 1.00 15.44 C ATOM 1157 OH TYR A 69 10.960 -0.138 -1.663 1.00 11.02 O ATOM 0 H TYR A 69 4.789 -1.909 3.320 1.00 15.42 H new ATOM 0 HA TYR A 69 6.537 -3.246 1.545 1.00 41.52 H new ATOM 0 HB2 TYR A 69 5.705 -0.880 1.380 1.00 4.14 H new ATOM 0 HB3 TYR A 69 6.721 -0.452 2.742 1.00 4.14 H new ATOM 0 HD1 TYR A 69 6.922 -1.913 -0.703 1.00 73.34 H new ATOM 0 HD2 TYR A 69 8.947 0.260 2.356 1.00 44.32 H new ATOM 0 HE1 TYR A 69 8.788 -1.489 -2.240 1.00 32.42 H new ATOM 0 HE2 TYR A 69 10.813 0.685 0.818 1.00 51.41 H new ATOM 0 HH TYR A 69 11.646 0.390 -1.204 1.00 11.02 H new ATOM 1167 N LEU A 70 7.748 -2.602 4.539 1.00 4.23 N ATOM 1168 CA LEU A 70 8.797 -3.018 5.481 1.00 1.02 C ATOM 1169 C LEU A 70 8.801 -4.548 5.635 1.00 3.30 C ATOM 1170 O LEU A 70 9.854 -5.192 5.623 1.00 41.53 O ATOM 1171 CB LEU A 70 8.595 -2.348 6.852 1.00 12.14 C ATOM 1172 CG LEU A 70 8.600 -0.809 6.843 1.00 61.11 C ATOM 1173 CD1 LEU A 70 8.385 -0.264 8.252 1.00 41.13 C ATOM 1174 CD2 LEU A 70 9.901 -0.274 6.245 1.00 23.42 C ATOM 0 H LEU A 70 6.991 -2.066 4.963 1.00 4.23 H new ATOM 0 HA LEU A 70 9.760 -2.702 5.081 1.00 1.02 H new ATOM 0 HB2 LEU A 70 7.647 -2.689 7.267 1.00 12.14 H new ATOM 0 HB3 LEU A 70 9.380 -2.693 7.525 1.00 12.14 H new ATOM 0 HG LEU A 70 7.776 -0.468 6.216 1.00 61.11 H new ATOM 0 HD11 LEU A 70 8.392 0.826 8.226 1.00 41.13 H new ATOM 0 HD12 LEU A 70 7.425 -0.612 8.634 1.00 41.13 H new ATOM 0 HD13 LEU A 70 9.184 -0.616 8.904 1.00 41.13 H new ATOM 0 HD21 LEU A 70 9.882 0.816 6.249 1.00 23.42 H new ATOM 0 HD22 LEU A 70 10.745 -0.624 6.839 1.00 23.42 H new ATOM 0 HD23 LEU A 70 10.005 -0.631 5.220 1.00 23.42 H new ATOM 1186 N LYS A 71 7.603 -5.120 5.759 1.00 40.13 N ATOM 1187 CA LYS A 71 7.424 -6.574 5.826 1.00 33.53 C ATOM 1188 C LYS A 71 7.952 -7.255 4.547 1.00 73.31 C ATOM 1189 O LYS A 71 8.340 -8.423 4.562 1.00 74.30 O ATOM 1190 CB LYS A 71 5.936 -6.896 6.032 1.00 51.55 C ATOM 1191 CG LYS A 71 5.638 -8.376 6.244 1.00 41.04 C ATOM 1192 CD LYS A 71 4.143 -8.633 6.421 1.00 51.31 C ATOM 1193 CE LYS A 71 3.343 -8.181 5.205 1.00 30.31 C ATOM 1194 NZ LYS A 71 1.895 -8.470 5.354 1.00 71.34 N ATOM 0 H LYS A 71 6.732 -4.593 5.816 1.00 40.13 H new ATOM 0 HA LYS A 71 7.997 -6.961 6.668 1.00 33.53 H new ATOM 0 HB2 LYS A 71 5.571 -6.337 6.894 1.00 51.55 H new ATOM 0 HB3 LYS A 71 5.377 -6.545 5.164 1.00 51.55 H new ATOM 0 HG2 LYS A 71 6.007 -8.947 5.392 1.00 41.04 H new ATOM 0 HG3 LYS A 71 6.175 -8.733 7.123 1.00 41.04 H new ATOM 0 HD2 LYS A 71 3.975 -9.696 6.592 1.00 51.31 H new ATOM 0 HD3 LYS A 71 3.786 -8.107 7.307 1.00 51.31 H new ATOM 0 HE2 LYS A 71 3.486 -7.111 5.054 1.00 30.31 H new ATOM 0 HE3 LYS A 71 3.723 -8.682 4.314 1.00 30.31 H new ATOM 0 HZ1 LYS A 71 1.416 -8.322 4.443 1.00 71.34 H new ATOM 0 HZ2 LYS A 71 1.767 -9.457 5.656 1.00 71.34 H new ATOM 0 HZ3 LYS A 71 1.486 -7.834 6.068 1.00 71.34 H new ATOM 1208 N LEU A 72 7.951 -6.508 3.448 1.00 31.43 N ATOM 1209 CA LEU A 72 8.556 -6.955 2.191 1.00 43.45 C ATOM 1210 C LEU A 72 10.090 -6.965 2.290 1.00 53.44 C ATOM 1211 O LEU A 72 10.742 -7.991 2.062 1.00 21.45 O ATOM 1212 CB LEU A 72 8.123 -6.019 1.052 1.00 60.32 C ATOM 1213 CG LEU A 72 8.843 -6.210 -0.295 1.00 23.55 C ATOM 1214 CD1 LEU A 72 8.382 -7.493 -0.985 1.00 52.13 C ATOM 1215 CD2 LEU A 72 8.635 -4.988 -1.191 1.00 24.52 C ATOM 0 H LEU A 72 7.533 -5.579 3.400 1.00 31.43 H new ATOM 0 HA LEU A 72 8.217 -7.971 1.988 1.00 43.45 H new ATOM 0 HB2 LEU A 72 7.053 -6.149 0.890 1.00 60.32 H new ATOM 0 HB3 LEU A 72 8.274 -4.990 1.378 1.00 60.32 H new ATOM 0 HG LEU A 72 9.912 -6.308 -0.103 1.00 23.55 H new ATOM 0 HD11 LEU A 72 8.906 -7.604 -1.934 1.00 52.13 H new ATOM 0 HD12 LEU A 72 8.602 -8.349 -0.347 1.00 52.13 H new ATOM 0 HD13 LEU A 72 7.308 -7.443 -1.167 1.00 52.13 H new ATOM 0 HD21 LEU A 72 9.151 -5.140 -2.139 1.00 24.52 H new ATOM 0 HD22 LEU A 72 7.570 -4.849 -1.376 1.00 24.52 H new ATOM 0 HD23 LEU A 72 9.036 -4.103 -0.698 1.00 24.52 H new ATOM 1227 N GLN A 73 10.662 -5.817 2.647 1.00 12.33 N ATOM 1228 CA GLN A 73 12.119 -5.650 2.645 1.00 71.33 C ATOM 1229 C GLN A 73 12.814 -6.400 3.798 1.00 44.54 C ATOM 1230 O GLN A 73 14.038 -6.384 3.903 1.00 1.51 O ATOM 1231 CB GLN A 73 12.490 -4.161 2.660 1.00 70.21 C ATOM 1232 CG GLN A 73 12.119 -3.426 3.938 1.00 52.05 C ATOM 1233 CD GLN A 73 12.276 -1.919 3.810 1.00 22.14 C ATOM 1234 OE1 GLN A 73 11.996 -1.391 2.631 1.00 35.44 O flip ATOM 1235 NE2 GLN A 73 12.623 -1.233 4.767 1.00 13.22 N flip ATOM 0 H GLN A 73 10.143 -4.989 2.941 1.00 12.33 H new ATOM 0 HA GLN A 73 12.485 -6.100 1.722 1.00 71.33 H new ATOM 0 HB2 GLN A 73 13.564 -4.067 2.502 1.00 70.21 H new ATOM 0 HB3 GLN A 73 12.000 -3.670 1.819 1.00 70.21 H new ATOM 0 HG2 GLN A 73 11.087 -3.659 4.201 1.00 52.05 H new ATOM 0 HG3 GLN A 73 12.745 -3.785 4.755 1.00 52.05 H new ATOM 0 HE21 GLN A 73 12.831 -1.675 5.662 1.00 13.22 H new ATOM 0 HE22 GLN A 73 12.703 -0.221 4.667 1.00 13.22 H new