USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=16 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 X(o=0,f=-0.45) USER MOD Single : A 19 LYS NZ :NH3+ 155:sc= 1.17 (180deg=0.613) USER MOD Single : A 22 THR OG1 : rot 73:sc= 0.842 USER MOD Single : A 27 HIS : no HD1:sc=-0.00696 X(o=-0.007,f=-0.0013) USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -170:sc= 0 (180deg=-0.0215) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 40 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.056) USER MOD Single : A 41 CYS SG : rot 171:sc= 0.518 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= -1.71! (180deg=-3.03!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -130:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 169:sc=-0.00478 (180deg=-0.116) USER MOD Single : A 58 THR OG1 : rot 83:sc= 1.14 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.284 USER MOD Single : A 71 LYS NZ :NH3+ 168:sc=-0.00991 (180deg=-0.147) USER MOD Single : A 73 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.700 5.807 -1.599 1.00 54.05 N ATOM 220 CA ILE A 15 10.483 5.581 -2.389 1.00 32.11 C ATOM 221 C ILE A 15 9.251 6.286 -1.777 1.00 71.23 C ATOM 222 O ILE A 15 8.981 6.169 -0.578 1.00 33.51 O ATOM 223 CB ILE A 15 10.200 4.061 -2.535 1.00 5.31 C ATOM 224 CG1 ILE A 15 11.293 3.396 -3.394 1.00 32.33 C ATOM 225 CG2 ILE A 15 8.816 3.810 -3.128 1.00 62.51 C ATOM 226 CD1 ILE A 15 11.085 1.908 -3.621 1.00 23.21 C ATOM 0 HA ILE A 15 10.659 6.013 -3.374 1.00 32.11 H new ATOM 0 HB ILE A 15 10.218 3.614 -1.541 1.00 5.31 H new ATOM 0 HG12 ILE A 15 11.335 3.898 -4.361 1.00 32.33 H new ATOM 0 HG13 ILE A 15 12.260 3.548 -2.914 1.00 32.33 H new ATOM 0 HG21 ILE A 15 8.648 2.737 -3.218 1.00 62.51 H new ATOM 0 HG22 ILE A 15 8.057 4.243 -2.476 1.00 62.51 H new ATOM 0 HG23 ILE A 15 8.754 4.271 -4.114 1.00 62.51 H new ATOM 0 HD11 ILE A 15 11.897 1.517 -4.234 1.00 23.21 H new ATOM 0 HD12 ILE A 15 11.074 1.392 -2.661 1.00 23.21 H new ATOM 0 HD13 ILE A 15 10.135 1.747 -4.131 1.00 23.21 H new ATOM 238 N THR A 16 8.514 7.016 -2.617 1.00 30.24 N ATOM 239 CA THR A 16 7.291 7.723 -2.198 1.00 71.44 C ATOM 240 C THR A 16 6.093 6.766 -2.129 1.00 60.05 C ATOM 241 O THR A 16 6.142 5.669 -2.679 1.00 53.11 O ATOM 242 CB THR A 16 6.947 8.867 -3.181 1.00 72.02 C ATOM 243 OG1 THR A 16 6.645 8.326 -4.479 1.00 45.11 O ATOM 244 CG2 THR A 16 8.106 9.853 -3.295 1.00 21.11 C ATOM 0 H THR A 16 8.743 7.137 -3.604 1.00 30.24 H new ATOM 0 HA THR A 16 7.487 8.135 -1.208 1.00 71.44 H new ATOM 0 HB THR A 16 6.076 9.397 -2.795 1.00 72.02 H new ATOM 0 HG1 THR A 16 6.427 9.056 -5.095 1.00 45.11 H new ATOM 0 HG21 THR A 16 7.840 10.648 -3.992 1.00 21.11 H new ATOM 0 HG22 THR A 16 8.315 10.284 -2.316 1.00 21.11 H new ATOM 0 HG23 THR A 16 8.992 9.333 -3.659 1.00 21.11 H new ATOM 252 N LEU A 17 5.010 7.197 -1.474 1.00 50.10 N ATOM 253 CA LEU A 17 3.818 6.348 -1.290 1.00 24.15 C ATOM 254 C LEU A 17 3.234 5.863 -2.630 1.00 20.02 C ATOM 255 O LEU A 17 2.713 4.751 -2.717 1.00 53.11 O ATOM 256 CB LEU A 17 2.738 7.094 -0.488 1.00 32.42 C ATOM 257 CG LEU A 17 1.451 6.289 -0.203 1.00 11.15 C ATOM 258 CD1 LEU A 17 1.758 5.027 0.607 1.00 13.21 C ATOM 259 CD2 LEU A 17 0.419 7.157 0.516 1.00 14.41 C ATOM 0 H LEU A 17 4.930 8.126 -1.061 1.00 50.10 H new ATOM 0 HA LEU A 17 4.140 5.469 -0.732 1.00 24.15 H new ATOM 0 HB2 LEU A 17 3.168 7.408 0.463 1.00 32.42 H new ATOM 0 HB3 LEU A 17 2.467 8.000 -1.030 1.00 32.42 H new ATOM 0 HG LEU A 17 1.030 5.978 -1.159 1.00 11.15 H new ATOM 0 HD11 LEU A 17 0.834 4.480 0.793 1.00 13.21 H new ATOM 0 HD12 LEU A 17 2.448 4.395 0.048 1.00 13.21 H new ATOM 0 HD13 LEU A 17 2.212 5.306 1.558 1.00 13.21 H new ATOM 0 HD21 LEU A 17 -0.480 6.571 0.707 1.00 14.41 H new ATOM 0 HD22 LEU A 17 0.833 7.506 1.462 1.00 14.41 H new ATOM 0 HD23 LEU A 17 0.167 8.015 -0.108 1.00 14.41 H new ATOM 271 N GLN A 18 3.325 6.694 -3.667 1.00 72.34 N ATOM 272 CA GLN A 18 2.823 6.322 -4.998 1.00 21.24 C ATOM 273 C GLN A 18 3.565 5.091 -5.548 1.00 4.23 C ATOM 274 O GLN A 18 2.950 4.084 -5.910 1.00 42.44 O ATOM 275 CB GLN A 18 2.966 7.500 -5.973 1.00 53.41 C ATOM 276 CG GLN A 18 2.414 7.209 -7.367 1.00 51.52 C ATOM 277 CD GLN A 18 2.537 8.390 -8.314 1.00 61.33 C ATOM 278 OE1 GLN A 18 3.450 9.204 -8.203 1.00 64.35 O ATOM 279 NE2 GLN A 18 1.619 8.497 -9.253 1.00 1.41 N ATOM 0 H GLN A 18 3.738 7.625 -3.617 1.00 72.34 H new ATOM 0 HA GLN A 18 1.768 6.069 -4.898 1.00 21.24 H new ATOM 0 HB2 GLN A 18 2.450 8.367 -5.561 1.00 53.41 H new ATOM 0 HB3 GLN A 18 4.020 7.766 -6.057 1.00 53.41 H new ATOM 0 HG2 GLN A 18 2.943 6.355 -7.790 1.00 51.52 H new ATOM 0 HG3 GLN A 18 1.365 6.925 -7.284 1.00 51.52 H new ATOM 0 HE21 GLN A 18 0.873 7.804 -9.319 1.00 1.41 H new ATOM 0 HE22 GLN A 18 1.654 9.273 -9.914 1.00 1.41 H new ATOM 288 N LYS A 19 4.893 5.181 -5.605 1.00 44.21 N ATOM 289 CA LYS A 19 5.733 4.065 -6.058 1.00 44.03 C ATOM 290 C LYS A 19 5.687 2.902 -5.048 1.00 35.31 C ATOM 291 O LYS A 19 5.745 1.730 -5.425 1.00 54.44 O ATOM 292 CB LYS A 19 7.174 4.561 -6.270 1.00 20.23 C ATOM 293 CG LYS A 19 8.173 3.488 -6.703 1.00 2.22 C ATOM 294 CD LYS A 19 7.759 2.797 -8.001 1.00 62.23 C ATOM 295 CE LYS A 19 8.859 1.875 -8.515 1.00 44.20 C ATOM 296 NZ LYS A 19 8.399 1.020 -9.642 1.00 33.02 N ATOM 0 H LYS A 19 5.415 6.017 -5.343 1.00 44.21 H new ATOM 0 HA LYS A 19 5.349 3.689 -7.006 1.00 44.03 H new ATOM 0 HB2 LYS A 19 7.163 5.350 -7.022 1.00 20.23 H new ATOM 0 HB3 LYS A 19 7.527 5.011 -5.342 1.00 20.23 H new ATOM 0 HG2 LYS A 19 9.156 3.942 -6.833 1.00 2.22 H new ATOM 0 HG3 LYS A 19 8.268 2.744 -5.912 1.00 2.22 H new ATOM 0 HD2 LYS A 19 6.848 2.222 -7.834 1.00 62.23 H new ATOM 0 HD3 LYS A 19 7.528 3.547 -8.757 1.00 62.23 H new ATOM 0 HE2 LYS A 19 9.710 2.474 -8.840 1.00 44.20 H new ATOM 0 HE3 LYS A 19 9.209 1.241 -7.700 1.00 44.20 H new ATOM 0 HZ1 LYS A 19 9.216 0.741 -10.222 1.00 33.02 H new ATOM 0 HZ2 LYS A 19 7.935 0.169 -9.265 1.00 33.02 H new ATOM 0 HZ3 LYS A 19 7.724 1.552 -10.228 1.00 33.02 H new ATOM 310 N LEU A 20 5.552 3.247 -3.769 1.00 11.23 N ATOM 311 CA LEU A 20 5.432 2.264 -2.683 1.00 4.11 C ATOM 312 C LEU A 20 4.225 1.341 -2.920 1.00 2.44 C ATOM 313 O LEU A 20 4.365 0.116 -2.974 1.00 75.15 O ATOM 314 CB LEU A 20 5.303 3.020 -1.340 1.00 34.43 C ATOM 315 CG LEU A 20 5.315 2.177 -0.045 1.00 5.13 C ATOM 316 CD1 LEU A 20 5.669 3.054 1.156 1.00 12.13 C ATOM 317 CD2 LEU A 20 3.967 1.496 0.195 1.00 52.32 C ATOM 0 H LEU A 20 5.522 4.216 -3.451 1.00 11.23 H new ATOM 0 HA LEU A 20 6.321 1.634 -2.655 1.00 4.11 H new ATOM 0 HB2 LEU A 20 6.118 3.741 -1.280 1.00 34.43 H new ATOM 0 HB3 LEU A 20 4.374 3.590 -1.362 1.00 34.43 H new ATOM 0 HG LEU A 20 6.072 1.402 -0.165 1.00 5.13 H new ATOM 0 HD11 LEU A 20 5.674 2.447 2.061 1.00 12.13 H new ATOM 0 HD12 LEU A 20 6.656 3.492 1.008 1.00 12.13 H new ATOM 0 HD13 LEU A 20 4.930 3.849 1.256 1.00 12.13 H new ATOM 0 HD21 LEU A 20 4.013 0.912 1.114 1.00 52.32 H new ATOM 0 HD22 LEU A 20 3.188 2.253 0.284 1.00 52.32 H new ATOM 0 HD23 LEU A 20 3.738 0.837 -0.642 1.00 52.32 H new ATOM 329 N LEU A 21 3.044 1.940 -3.065 1.00 33.45 N ATOM 330 CA LEU A 21 1.817 1.184 -3.336 1.00 14.54 C ATOM 331 C LEU A 21 1.958 0.357 -4.625 1.00 70.23 C ATOM 332 O LEU A 21 1.513 -0.789 -4.693 1.00 42.33 O ATOM 333 CB LEU A 21 0.616 2.136 -3.444 1.00 33.14 C ATOM 334 CG LEU A 21 -0.752 1.458 -3.658 1.00 12.23 C ATOM 335 CD1 LEU A 21 -1.098 0.546 -2.482 1.00 14.13 C ATOM 336 CD2 LEU A 21 -1.846 2.503 -3.873 1.00 15.23 C ATOM 0 H LEU A 21 2.908 2.949 -3.000 1.00 33.45 H new ATOM 0 HA LEU A 21 1.649 0.498 -2.506 1.00 14.54 H new ATOM 0 HB2 LEU A 21 0.567 2.735 -2.535 1.00 33.14 H new ATOM 0 HB3 LEU A 21 0.794 2.825 -4.270 1.00 33.14 H new ATOM 0 HG LEU A 21 -0.688 0.842 -4.555 1.00 12.23 H new ATOM 0 HD11 LEU A 21 -2.067 0.079 -2.656 1.00 14.13 H new ATOM 0 HD12 LEU A 21 -0.336 -0.227 -2.384 1.00 14.13 H new ATOM 0 HD13 LEU A 21 -1.138 1.134 -1.565 1.00 14.13 H new ATOM 0 HD21 LEU A 21 -2.803 2.003 -4.022 1.00 15.23 H new ATOM 0 HD22 LEU A 21 -1.907 3.151 -2.998 1.00 15.23 H new ATOM 0 HD23 LEU A 21 -1.609 3.102 -4.752 1.00 15.23 H new ATOM 348 N THR A 22 2.602 0.944 -5.635 1.00 74.25 N ATOM 349 CA THR A 22 2.840 0.257 -6.915 1.00 2.40 C ATOM 350 C THR A 22 3.598 -1.067 -6.713 1.00 61.14 C ATOM 351 O THR A 22 3.189 -2.109 -7.229 1.00 53.31 O ATOM 352 CB THR A 22 3.638 1.150 -7.902 1.00 74.24 C ATOM 353 OG1 THR A 22 2.896 2.347 -8.197 1.00 34.53 O ATOM 354 CG2 THR A 22 3.947 0.411 -9.205 1.00 10.21 C ATOM 0 H THR A 22 2.970 1.894 -5.596 1.00 74.25 H new ATOM 0 HA THR A 22 1.858 0.046 -7.339 1.00 2.40 H new ATOM 0 HB THR A 22 4.582 1.408 -7.422 1.00 74.24 H new ATOM 0 HG1 THR A 22 2.911 2.941 -7.418 1.00 34.53 H new ATOM 0 HG21 THR A 22 4.507 1.067 -9.872 1.00 10.21 H new ATOM 0 HG22 THR A 22 4.541 -0.477 -8.988 1.00 10.21 H new ATOM 0 HG23 THR A 22 3.014 0.115 -9.686 1.00 10.21 H new ATOM 362 N GLU A 23 4.692 -1.021 -5.952 1.00 32.21 N ATOM 363 CA GLU A 23 5.497 -2.221 -5.680 1.00 73.43 C ATOM 364 C GLU A 23 4.668 -3.302 -4.970 1.00 0.15 C ATOM 365 O GLU A 23 4.775 -4.493 -5.283 1.00 71.14 O ATOM 366 CB GLU A 23 6.732 -1.862 -4.834 1.00 12.02 C ATOM 367 CG GLU A 23 7.638 -0.816 -5.477 1.00 31.44 C ATOM 368 CD GLU A 23 8.088 -1.204 -6.880 1.00 1.50 C ATOM 369 OE1 GLU A 23 9.124 -1.891 -7.015 1.00 3.03 O ATOM 370 OE2 GLU A 23 7.406 -0.820 -7.858 1.00 41.44 O ATOM 0 H GLU A 23 5.043 -0.170 -5.512 1.00 32.21 H new ATOM 0 HA GLU A 23 5.827 -2.622 -6.638 1.00 73.43 H new ATOM 0 HB2 GLU A 23 6.401 -1.494 -3.863 1.00 12.02 H new ATOM 0 HB3 GLU A 23 7.311 -2.767 -4.651 1.00 12.02 H new ATOM 0 HG2 GLU A 23 7.111 0.137 -5.520 1.00 31.44 H new ATOM 0 HG3 GLU A 23 8.515 -0.666 -4.848 1.00 31.44 H new ATOM 377 N LEU A 24 3.836 -2.881 -4.022 1.00 53.23 N ATOM 378 CA LEU A 24 2.971 -3.807 -3.285 1.00 41.45 C ATOM 379 C LEU A 24 1.921 -4.454 -4.207 1.00 43.24 C ATOM 380 O LEU A 24 1.691 -5.663 -4.156 1.00 52.54 O ATOM 381 CB LEU A 24 2.275 -3.075 -2.132 1.00 65.41 C ATOM 382 CG LEU A 24 3.210 -2.363 -1.139 1.00 31.42 C ATOM 383 CD1 LEU A 24 2.409 -1.714 -0.014 1.00 21.03 C ATOM 384 CD2 LEU A 24 4.247 -3.335 -0.576 1.00 64.04 C ATOM 0 H LEU A 24 3.740 -1.905 -3.743 1.00 53.23 H new ATOM 0 HA LEU A 24 3.600 -4.601 -2.882 1.00 41.45 H new ATOM 0 HB2 LEU A 24 1.591 -2.338 -2.553 1.00 65.41 H new ATOM 0 HB3 LEU A 24 1.669 -3.794 -1.581 1.00 65.41 H new ATOM 0 HG LEU A 24 3.740 -1.577 -1.676 1.00 31.42 H new ATOM 0 HD11 LEU A 24 3.089 -1.216 0.677 1.00 21.03 H new ATOM 0 HD12 LEU A 24 1.719 -0.982 -0.434 1.00 21.03 H new ATOM 0 HD13 LEU A 24 1.846 -2.479 0.520 1.00 21.03 H new ATOM 0 HD21 LEU A 24 4.897 -2.809 0.124 1.00 64.04 H new ATOM 0 HD22 LEU A 24 3.739 -4.149 -0.058 1.00 64.04 H new ATOM 0 HD23 LEU A 24 4.845 -3.741 -1.392 1.00 64.04 H new ATOM 396 N VAL A 25 1.291 -3.641 -5.050 1.00 51.21 N ATOM 397 CA VAL A 25 0.274 -4.124 -5.992 1.00 32.44 C ATOM 398 C VAL A 25 0.861 -5.115 -7.011 1.00 54.31 C ATOM 399 O VAL A 25 0.295 -6.184 -7.256 1.00 22.11 O ATOM 400 CB VAL A 25 -0.385 -2.946 -6.753 1.00 72.30 C ATOM 401 CG1 VAL A 25 -1.353 -3.456 -7.818 1.00 53.05 C ATOM 402 CG2 VAL A 25 -1.099 -2.006 -5.782 1.00 2.33 C ATOM 0 H VAL A 25 1.465 -2.637 -5.103 1.00 51.21 H new ATOM 0 HA VAL A 25 -0.480 -4.640 -5.398 1.00 32.44 H new ATOM 0 HB VAL A 25 0.405 -2.386 -7.254 1.00 72.30 H new ATOM 0 HG11 VAL A 25 -1.802 -2.609 -8.337 1.00 53.05 H new ATOM 0 HG12 VAL A 25 -0.813 -4.076 -8.534 1.00 53.05 H new ATOM 0 HG13 VAL A 25 -2.136 -4.048 -7.344 1.00 53.05 H new ATOM 0 HG21 VAL A 25 -1.554 -1.186 -6.338 1.00 2.33 H new ATOM 0 HG22 VAL A 25 -1.873 -2.556 -5.246 1.00 2.33 H new ATOM 0 HG23 VAL A 25 -0.379 -1.605 -5.068 1.00 2.33 H new ATOM 412 N GLU A 26 1.998 -4.757 -7.600 1.00 13.25 N ATOM 413 CA GLU A 26 2.641 -5.599 -8.614 1.00 64.23 C ATOM 414 C GLU A 26 3.196 -6.904 -8.018 1.00 72.40 C ATOM 415 O GLU A 26 3.066 -7.971 -8.619 1.00 62.22 O ATOM 416 CB GLU A 26 3.762 -4.821 -9.317 1.00 42.32 C ATOM 417 CG GLU A 26 3.279 -3.589 -10.082 1.00 11.22 C ATOM 418 CD GLU A 26 2.253 -3.923 -11.156 1.00 14.44 C ATOM 419 OE1 GLU A 26 2.655 -4.343 -12.262 1.00 65.40 O ATOM 420 OE2 GLU A 26 1.040 -3.773 -10.899 1.00 1.43 O ATOM 0 H GLU A 26 2.496 -3.891 -7.395 1.00 13.25 H new ATOM 0 HA GLU A 26 1.876 -5.872 -9.341 1.00 64.23 H new ATOM 0 HB2 GLU A 26 4.496 -4.510 -8.573 1.00 42.32 H new ATOM 0 HB3 GLU A 26 4.274 -5.489 -10.010 1.00 42.32 H new ATOM 0 HG2 GLU A 26 2.844 -2.879 -9.379 1.00 11.22 H new ATOM 0 HG3 GLU A 26 4.134 -3.096 -10.544 1.00 11.22 H new ATOM 427 N HIS A 27 3.804 -6.824 -6.834 1.00 30.53 N ATOM 428 CA HIS A 27 4.463 -7.993 -6.233 1.00 54.21 C ATOM 429 C HIS A 27 3.496 -8.868 -5.405 1.00 11.13 C ATOM 430 O HIS A 27 3.731 -10.063 -5.239 1.00 32.23 O ATOM 431 CB HIS A 27 5.647 -7.552 -5.363 1.00 41.23 C ATOM 432 CG HIS A 27 6.471 -8.698 -4.857 1.00 21.12 C ATOM 433 ND1 HIS A 27 7.401 -9.358 -5.634 1.00 74.34 N ATOM 434 CD2 HIS A 27 6.489 -9.321 -3.653 1.00 71.05 C ATOM 435 CE1 HIS A 27 7.950 -10.326 -4.933 1.00 44.43 C ATOM 436 NE2 HIS A 27 7.417 -10.327 -3.730 1.00 10.10 N ATOM 0 H HIS A 27 3.856 -5.973 -6.274 1.00 30.53 H new ATOM 0 HA HIS A 27 4.823 -8.607 -7.059 1.00 54.21 H new ATOM 0 HB2 HIS A 27 6.284 -6.883 -5.941 1.00 41.23 H new ATOM 0 HB3 HIS A 27 5.272 -6.981 -4.514 1.00 41.23 H new ATOM 0 HD2 HIS A 27 5.885 -9.071 -2.793 1.00 71.05 H new ATOM 0 HE1 HIS A 27 8.711 -11.006 -5.286 1.00 44.43 H new ATOM 0 HE2 HIS A 27 7.656 -10.972 -2.977 1.00 10.10 H new ATOM 445 N TYR A 28 2.426 -8.280 -4.873 1.00 71.53 N ATOM 446 CA TYR A 28 1.452 -9.039 -4.066 1.00 2.41 C ATOM 447 C TYR A 28 0.077 -9.120 -4.752 1.00 11.13 C ATOM 448 O TYR A 28 -0.335 -10.188 -5.218 1.00 14.54 O ATOM 449 CB TYR A 28 1.306 -8.415 -2.667 1.00 61.14 C ATOM 450 CG TYR A 28 2.559 -8.521 -1.813 1.00 33.34 C ATOM 451 CD1 TYR A 28 2.845 -9.687 -1.110 1.00 63.24 C ATOM 452 CD2 TYR A 28 3.453 -7.459 -1.709 1.00 31.21 C ATOM 453 CE1 TYR A 28 3.982 -9.790 -0.329 1.00 1.33 C ATOM 454 CE2 TYR A 28 4.591 -7.556 -0.930 1.00 12.02 C ATOM 455 CZ TYR A 28 4.851 -8.723 -0.243 1.00 2.14 C ATOM 456 OH TYR A 28 5.983 -8.820 0.537 1.00 12.40 O ATOM 0 H TYR A 28 2.206 -7.290 -4.980 1.00 71.53 H new ATOM 0 HA TYR A 28 1.836 -10.054 -3.968 1.00 2.41 H new ATOM 0 HB2 TYR A 28 1.039 -7.364 -2.775 1.00 61.14 H new ATOM 0 HB3 TYR A 28 0.481 -8.902 -2.147 1.00 61.14 H new ATOM 0 HD1 TYR A 28 2.168 -10.526 -1.175 1.00 63.24 H new ATOM 0 HD2 TYR A 28 3.254 -6.543 -2.246 1.00 31.21 H new ATOM 0 HE1 TYR A 28 4.188 -10.702 0.211 1.00 1.33 H new ATOM 0 HE2 TYR A 28 5.273 -6.722 -0.860 1.00 12.02 H new ATOM 0 HH TYR A 28 6.283 -9.753 0.563 1.00 12.40 H new ATOM 466 N GLY A 29 -0.626 -7.992 -4.814 1.00 2.53 N ATOM 467 CA GLY A 29 -1.957 -7.963 -5.419 1.00 73.20 C ATOM 468 C GLY A 29 -2.973 -7.202 -4.574 1.00 15.04 C ATOM 469 O GLY A 29 -2.876 -7.185 -3.346 1.00 41.14 O ATOM 0 H GLY A 29 -0.301 -7.093 -4.457 1.00 2.53 H new ATOM 0 HA2 GLY A 29 -1.893 -7.502 -6.405 1.00 73.20 H new ATOM 0 HA3 GLY A 29 -2.306 -8.985 -5.567 1.00 73.20 H new ATOM 473 N TRP A 30 -3.955 -6.577 -5.229 1.00 35.03 N ATOM 474 CA TRP A 30 -4.980 -5.779 -4.534 1.00 41.21 C ATOM 475 C TRP A 30 -5.672 -6.560 -3.402 1.00 42.20 C ATOM 476 O TRP A 30 -5.733 -6.090 -2.267 1.00 45.41 O ATOM 477 CB TRP A 30 -6.035 -5.276 -5.530 1.00 64.13 C ATOM 478 CG TRP A 30 -5.508 -4.280 -6.525 1.00 63.14 C ATOM 479 CD1 TRP A 30 -5.315 -4.477 -7.859 1.00 52.11 C ATOM 480 CD2 TRP A 30 -5.109 -2.929 -6.257 1.00 11.14 C ATOM 481 NE1 TRP A 30 -4.825 -3.334 -8.440 1.00 33.02 N ATOM 482 CE2 TRP A 30 -4.692 -2.367 -7.478 1.00 31.42 C ATOM 483 CE3 TRP A 30 -5.068 -2.140 -5.103 1.00 2.21 C ATOM 484 CZ2 TRP A 30 -4.241 -1.052 -7.576 1.00 64.12 C ATOM 485 CZ3 TRP A 30 -4.621 -0.835 -5.201 1.00 73.21 C ATOM 486 CH2 TRP A 30 -4.216 -0.302 -6.430 1.00 31.32 C ATOM 0 H TRP A 30 -4.066 -6.606 -6.243 1.00 35.03 H new ATOM 0 HA TRP A 30 -4.463 -4.933 -4.082 1.00 41.21 H new ATOM 0 HB2 TRP A 30 -6.448 -6.129 -6.069 1.00 64.13 H new ATOM 0 HB3 TRP A 30 -6.856 -4.821 -4.976 1.00 64.13 H new ATOM 0 HD1 TRP A 30 -5.518 -5.399 -8.384 1.00 52.11 H new ATOM 0 HE1 TRP A 30 -4.597 -3.222 -9.428 1.00 33.02 H new ATOM 0 HE3 TRP A 30 -5.380 -2.543 -4.151 1.00 2.21 H new ATOM 0 HZ2 TRP A 30 -3.923 -0.639 -8.522 1.00 64.12 H new ATOM 0 HZ3 TRP A 30 -4.584 -0.218 -4.316 1.00 73.21 H new ATOM 0 HH2 TRP A 30 -3.877 0.722 -6.476 1.00 31.32 H new ATOM 497 N GLU A 31 -6.184 -7.750 -3.707 1.00 51.34 N ATOM 498 CA GLU A 31 -6.891 -8.566 -2.708 1.00 25.31 C ATOM 499 C GLU A 31 -5.959 -9.015 -1.568 1.00 2.43 C ATOM 500 O GLU A 31 -6.401 -9.214 -0.435 1.00 4.45 O ATOM 501 CB GLU A 31 -7.547 -9.780 -3.377 1.00 4.23 C ATOM 502 CG GLU A 31 -8.723 -9.411 -4.278 1.00 71.42 C ATOM 503 CD GLU A 31 -9.229 -10.579 -5.109 1.00 71.13 C ATOM 504 OE1 GLU A 31 -9.866 -11.490 -4.547 1.00 14.13 O ATOM 505 OE2 GLU A 31 -8.979 -10.592 -6.335 1.00 31.43 O ATOM 0 H GLU A 31 -6.126 -8.174 -4.633 1.00 51.34 H new ATOM 0 HA GLU A 31 -7.668 -7.942 -2.266 1.00 25.31 H new ATOM 0 HB2 GLU A 31 -6.799 -10.310 -3.967 1.00 4.23 H new ATOM 0 HB3 GLU A 31 -7.891 -10.469 -2.606 1.00 4.23 H new ATOM 0 HG2 GLU A 31 -9.539 -9.031 -3.663 1.00 71.42 H new ATOM 0 HG3 GLU A 31 -8.422 -8.602 -4.944 1.00 71.42 H new ATOM 512 N GLU A 32 -4.673 -9.185 -1.869 1.00 74.44 N ATOM 513 CA GLU A 32 -3.675 -9.469 -0.829 1.00 73.43 C ATOM 514 C GLU A 32 -3.490 -8.248 0.085 1.00 24.41 C ATOM 515 O GLU A 32 -3.446 -8.373 1.312 1.00 24.21 O ATOM 516 CB GLU A 32 -2.333 -9.880 -1.455 1.00 23.04 C ATOM 517 CG GLU A 32 -2.386 -11.204 -2.213 1.00 62.10 C ATOM 518 CD GLU A 32 -2.894 -12.354 -1.352 1.00 74.41 C ATOM 519 OE1 GLU A 32 -2.115 -12.885 -0.536 1.00 5.02 O ATOM 520 OE2 GLU A 32 -4.083 -12.720 -1.478 1.00 73.10 O ATOM 0 H GLU A 32 -4.296 -9.132 -2.815 1.00 74.44 H new ATOM 0 HA GLU A 32 -4.038 -10.302 -0.227 1.00 73.43 H new ATOM 0 HB2 GLU A 32 -2.005 -9.095 -2.136 1.00 23.04 H new ATOM 0 HB3 GLU A 32 -1.583 -9.953 -0.668 1.00 23.04 H new ATOM 0 HG2 GLU A 32 -3.033 -11.094 -3.084 1.00 62.10 H new ATOM 0 HG3 GLU A 32 -1.390 -11.446 -2.584 1.00 62.10 H new ATOM 527 N LEU A 33 -3.411 -7.065 -0.520 1.00 71.24 N ATOM 528 CA LEU A 33 -3.305 -5.815 0.234 1.00 33.34 C ATOM 529 C LEU A 33 -4.599 -5.542 1.018 1.00 4.53 C ATOM 530 O LEU A 33 -4.573 -4.930 2.085 1.00 75.23 O ATOM 531 CB LEU A 33 -2.994 -4.647 -0.711 1.00 52.31 C ATOM 532 CG LEU A 33 -1.701 -4.794 -1.528 1.00 73.13 C ATOM 533 CD1 LEU A 33 -1.495 -3.587 -2.436 1.00 4.11 C ATOM 534 CD2 LEU A 33 -0.498 -4.991 -0.608 1.00 71.23 C ATOM 0 H LEU A 33 -3.418 -6.944 -1.533 1.00 71.24 H new ATOM 0 HA LEU A 33 -2.487 -5.912 0.948 1.00 33.34 H new ATOM 0 HB2 LEU A 33 -3.829 -4.526 -1.401 1.00 52.31 H new ATOM 0 HB3 LEU A 33 -2.931 -3.731 -0.123 1.00 52.31 H new ATOM 0 HG LEU A 33 -1.796 -5.679 -2.157 1.00 73.13 H new ATOM 0 HD11 LEU A 33 -0.574 -3.713 -3.005 1.00 4.11 H new ATOM 0 HD12 LEU A 33 -2.337 -3.501 -3.123 1.00 4.11 H new ATOM 0 HD13 LEU A 33 -1.427 -2.683 -1.830 1.00 4.11 H new ATOM 0 HD21 LEU A 33 0.406 -5.093 -1.208 1.00 71.23 H new ATOM 0 HD22 LEU A 33 -0.400 -4.129 0.052 1.00 71.23 H new ATOM 0 HD23 LEU A 33 -0.640 -5.892 -0.011 1.00 71.23 H new ATOM 546 N SER A 34 -5.729 -6.011 0.485 1.00 22.41 N ATOM 547 CA SER A 34 -7.028 -5.899 1.176 1.00 62.41 C ATOM 548 C SER A 34 -7.053 -6.763 2.444 1.00 51.44 C ATOM 549 O SER A 34 -7.817 -6.505 3.375 1.00 34.54 O ATOM 550 CB SER A 34 -8.174 -6.323 0.243 1.00 73.54 C ATOM 551 OG SER A 34 -9.443 -6.178 0.867 1.00 12.14 O ATOM 0 H SER A 34 -5.777 -6.473 -0.423 1.00 22.41 H new ATOM 0 HA SER A 34 -7.163 -4.855 1.460 1.00 62.41 H new ATOM 0 HB2 SER A 34 -8.145 -5.721 -0.666 1.00 73.54 H new ATOM 0 HB3 SER A 34 -8.033 -7.361 -0.057 1.00 73.54 H new ATOM 0 HG SER A 34 -10.147 -6.455 0.244 1.00 12.14 H new ATOM 557 N TYR A 35 -6.219 -7.798 2.463 1.00 72.52 N ATOM 558 CA TYR A 35 -6.083 -8.667 3.632 1.00 14.22 C ATOM 559 C TYR A 35 -5.119 -8.047 4.661 1.00 50.50 C ATOM 560 O TYR A 35 -5.289 -8.206 5.871 1.00 34.03 O ATOM 561 CB TYR A 35 -5.583 -10.050 3.184 1.00 15.12 C ATOM 562 CG TYR A 35 -5.645 -11.120 4.259 1.00 62.44 C ATOM 563 CD1 TYR A 35 -6.843 -11.411 4.908 1.00 32.24 C ATOM 564 CD2 TYR A 35 -4.515 -11.854 4.614 1.00 55.42 C ATOM 565 CE1 TYR A 35 -6.912 -12.395 5.873 1.00 62.22 C ATOM 566 CE2 TYR A 35 -4.578 -12.839 5.584 1.00 52.10 C ATOM 567 CZ TYR A 35 -5.779 -13.105 6.209 1.00 71.21 C ATOM 568 OH TYR A 35 -5.852 -14.091 7.169 1.00 3.52 O ATOM 0 H TYR A 35 -5.623 -8.058 1.678 1.00 72.52 H new ATOM 0 HA TYR A 35 -7.056 -8.777 4.111 1.00 14.22 H new ATOM 0 HB2 TYR A 35 -6.175 -10.377 2.329 1.00 15.12 H new ATOM 0 HB3 TYR A 35 -4.553 -9.956 2.841 1.00 15.12 H new ATOM 0 HD1 TYR A 35 -7.734 -10.857 4.651 1.00 32.24 H new ATOM 0 HD2 TYR A 35 -3.574 -11.651 4.124 1.00 55.42 H new ATOM 0 HE1 TYR A 35 -7.850 -12.608 6.363 1.00 62.22 H new ATOM 0 HE2 TYR A 35 -3.692 -13.396 5.850 1.00 52.10 H new ATOM 0 HH TYR A 35 -4.968 -14.497 7.289 1.00 3.52 H new ATOM 578 N MET A 36 -4.110 -7.331 4.159 1.00 50.10 N ATOM 579 CA MET A 36 -3.128 -6.644 5.011 1.00 3.12 C ATOM 580 C MET A 36 -3.698 -5.333 5.583 1.00 52.54 C ATOM 581 O MET A 36 -3.346 -4.914 6.689 1.00 61.03 O ATOM 582 CB MET A 36 -1.858 -6.346 4.206 1.00 21.41 C ATOM 583 CG MET A 36 -1.234 -7.569 3.545 1.00 33.52 C ATOM 584 SD MET A 36 0.221 -7.143 2.567 1.00 61.25 S ATOM 585 CE MET A 36 0.597 -8.719 1.805 1.00 65.14 C ATOM 0 H MET A 36 -3.949 -7.210 3.159 1.00 50.10 H new ATOM 0 HA MET A 36 -2.889 -7.303 5.846 1.00 3.12 H new ATOM 0 HB2 MET A 36 -2.094 -5.612 3.436 1.00 21.41 H new ATOM 0 HB3 MET A 36 -1.122 -5.889 4.867 1.00 21.41 H new ATOM 0 HG2 MET A 36 -0.956 -8.293 4.311 1.00 33.52 H new ATOM 0 HG3 MET A 36 -1.973 -8.051 2.904 1.00 33.52 H new ATOM 0 HE1 MET A 36 1.568 -8.663 1.314 1.00 65.14 H new ATOM 0 HE2 MET A 36 0.621 -9.496 2.569 1.00 65.14 H new ATOM 0 HE3 MET A 36 -0.169 -8.959 1.068 1.00 65.14 H new ATOM 595 N VAL A 37 -4.561 -4.679 4.809 1.00 70.15 N ATOM 596 CA VAL A 37 -5.262 -3.469 5.251 1.00 65.34 C ATOM 597 C VAL A 37 -6.776 -3.639 5.059 1.00 2.34 C ATOM 598 O VAL A 37 -7.267 -3.686 3.930 1.00 75.32 O ATOM 599 CB VAL A 37 -4.789 -2.211 4.475 1.00 24.41 C ATOM 600 CG1 VAL A 37 -5.473 -0.951 5.008 1.00 52.02 C ATOM 601 CG2 VAL A 37 -3.270 -2.072 4.534 1.00 34.22 C ATOM 0 H VAL A 37 -4.796 -4.969 3.860 1.00 70.15 H new ATOM 0 HA VAL A 37 -5.030 -3.326 6.307 1.00 65.34 H new ATOM 0 HB VAL A 37 -5.075 -2.334 3.430 1.00 24.41 H new ATOM 0 HG11 VAL A 37 -5.125 -0.083 4.448 1.00 52.02 H new ATOM 0 HG12 VAL A 37 -6.553 -1.047 4.894 1.00 52.02 H new ATOM 0 HG13 VAL A 37 -5.230 -0.823 6.063 1.00 52.02 H new ATOM 0 HG21 VAL A 37 -2.964 -1.183 3.983 1.00 34.22 H new ATOM 0 HG22 VAL A 37 -2.953 -1.982 5.573 1.00 34.22 H new ATOM 0 HG23 VAL A 37 -2.807 -2.952 4.089 1.00 34.22 H new ATOM 611 N ASN A 38 -7.509 -3.721 6.167 1.00 35.33 N ATOM 612 CA ASN A 38 -8.938 -4.055 6.137 1.00 14.42 C ATOM 613 C ASN A 38 -9.809 -2.897 5.604 1.00 12.55 C ATOM 614 O ASN A 38 -10.519 -2.235 6.365 1.00 21.50 O ATOM 615 CB ASN A 38 -9.401 -4.454 7.545 1.00 13.22 C ATOM 616 CG ASN A 38 -10.739 -5.168 7.544 1.00 13.30 C ATOM 617 OD1 ASN A 38 -11.052 -5.937 6.638 1.00 43.11 O ATOM 618 ND2 ASN A 38 -11.542 -4.923 8.558 1.00 74.32 N ATOM 0 H ASN A 38 -7.138 -3.560 7.103 1.00 35.33 H new ATOM 0 HA ASN A 38 -9.063 -4.890 5.448 1.00 14.42 H new ATOM 0 HB2 ASN A 38 -8.650 -5.100 8.000 1.00 13.22 H new ATOM 0 HB3 ASN A 38 -9.471 -3.561 8.166 1.00 13.22 H new ATOM 0 HD21 ASN A 38 -12.454 -5.377 8.608 1.00 74.32 H new ATOM 0 HD22 ASN A 38 -11.252 -4.279 9.294 1.00 74.32 H new ATOM 625 N ILE A 39 -9.739 -2.651 4.294 1.00 34.55 N ATOM 626 CA ILE A 39 -10.593 -1.649 3.633 1.00 11.22 C ATOM 627 C ILE A 39 -11.060 -2.147 2.255 1.00 52.34 C ATOM 628 O ILE A 39 -10.316 -2.822 1.537 1.00 72.42 O ATOM 629 CB ILE A 39 -9.876 -0.278 3.460 1.00 3.10 C ATOM 630 CG1 ILE A 39 -8.550 -0.449 2.701 1.00 62.10 C ATOM 631 CG2 ILE A 39 -9.645 0.396 4.813 1.00 72.14 C ATOM 632 CD1 ILE A 39 -7.781 0.841 2.496 1.00 71.13 C ATOM 0 H ILE A 39 -9.098 -3.132 3.663 1.00 34.55 H new ATOM 0 HA ILE A 39 -11.454 -1.505 4.286 1.00 11.22 H new ATOM 0 HB ILE A 39 -10.525 0.369 2.870 1.00 3.10 H new ATOM 0 HG12 ILE A 39 -7.920 -1.152 3.246 1.00 62.10 H new ATOM 0 HG13 ILE A 39 -8.756 -0.895 1.728 1.00 62.10 H new ATOM 0 HG21 ILE A 39 -9.143 1.352 4.662 1.00 72.14 H new ATOM 0 HG22 ILE A 39 -10.603 0.563 5.304 1.00 72.14 H new ATOM 0 HG23 ILE A 39 -9.024 -0.246 5.438 1.00 72.14 H new ATOM 0 HD11 ILE A 39 -6.859 0.633 1.953 1.00 71.13 H new ATOM 0 HD12 ILE A 39 -8.390 1.540 1.923 1.00 71.13 H new ATOM 0 HD13 ILE A 39 -7.541 1.279 3.465 1.00 71.13 H new ATOM 644 N ASN A 40 -12.293 -1.801 1.885 1.00 42.54 N ATOM 645 CA ASN A 40 -12.874 -2.235 0.605 1.00 22.53 C ATOM 646 C ASN A 40 -12.161 -1.581 -0.599 1.00 32.15 C ATOM 647 O ASN A 40 -12.301 -2.039 -1.735 1.00 1.20 O ATOM 648 CB ASN A 40 -14.377 -1.925 0.579 1.00 43.31 C ATOM 649 CG ASN A 40 -15.076 -2.488 -0.649 1.00 40.52 C ATOM 650 OD1 ASN A 40 -15.537 -3.625 -0.649 1.00 72.41 O ATOM 651 ND2 ASN A 40 -15.159 -1.704 -1.703 1.00 11.54 N ATOM 0 H ASN A 40 -12.913 -1.221 2.451 1.00 42.54 H new ATOM 0 HA ASN A 40 -12.730 -3.312 0.519 1.00 22.53 H new ATOM 0 HB2 ASN A 40 -14.843 -2.334 1.476 1.00 43.31 H new ATOM 0 HB3 ASN A 40 -14.521 -0.845 0.610 1.00 43.31 H new ATOM 0 HD21 ASN A 40 -15.617 -2.037 -2.552 1.00 11.54 H new ATOM 0 HD22 ASN A 40 -14.766 -0.763 -1.671 1.00 11.54 H new ATOM 658 N CYS A 41 -11.381 -0.530 -0.336 1.00 70.22 N ATOM 659 CA CYS A 41 -10.635 0.184 -1.385 1.00 71.55 C ATOM 660 C CYS A 41 -9.797 -0.768 -2.255 1.00 21.25 C ATOM 661 O CYS A 41 -9.640 -0.548 -3.454 1.00 75.44 O ATOM 662 CB CYS A 41 -9.719 1.235 -0.752 1.00 43.30 C ATOM 663 SG CYS A 41 -10.576 2.414 0.316 1.00 53.31 S ATOM 0 H CYS A 41 -11.247 -0.149 0.601 1.00 70.22 H new ATOM 0 HA CYS A 41 -11.369 0.666 -2.031 1.00 71.55 H new ATOM 0 HB2 CYS A 41 -8.949 0.728 -0.171 1.00 43.30 H new ATOM 0 HB3 CYS A 41 -9.210 1.783 -1.545 1.00 43.30 H new ATOM 0 HG CYS A 41 -9.703 3.134 0.955 1.00 53.31 H new ATOM 669 N PHE A 42 -9.250 -1.818 -1.641 1.00 4.34 N ATOM 670 CA PHE A 42 -8.462 -2.819 -2.379 1.00 15.31 C ATOM 671 C PHE A 42 -9.327 -4.024 -2.793 1.00 53.43 C ATOM 672 O PHE A 42 -8.951 -4.801 -3.669 1.00 44.21 O ATOM 673 CB PHE A 42 -7.285 -3.316 -1.529 1.00 73.02 C ATOM 674 CG PHE A 42 -6.377 -2.229 -1.011 1.00 4.14 C ATOM 675 CD1 PHE A 42 -5.985 -1.178 -1.829 1.00 61.41 C ATOM 676 CD2 PHE A 42 -5.903 -2.268 0.293 1.00 42.44 C ATOM 677 CE1 PHE A 42 -5.141 -0.192 -1.354 1.00 4.30 C ATOM 678 CE2 PHE A 42 -5.062 -1.283 0.771 1.00 74.40 C ATOM 679 CZ PHE A 42 -4.681 -0.244 -0.053 1.00 1.51 C ATOM 0 H PHE A 42 -9.334 -2.001 -0.641 1.00 4.34 H new ATOM 0 HA PHE A 42 -8.085 -2.331 -3.278 1.00 15.31 H new ATOM 0 HB2 PHE A 42 -7.678 -3.876 -0.681 1.00 73.02 H new ATOM 0 HB3 PHE A 42 -6.693 -4.012 -2.124 1.00 73.02 H new ATOM 0 HD1 PHE A 42 -6.343 -1.130 -2.847 1.00 61.41 H new ATOM 0 HD2 PHE A 42 -6.196 -3.080 0.942 1.00 42.44 H new ATOM 0 HE1 PHE A 42 -4.841 0.619 -2.001 1.00 4.30 H new ATOM 0 HE2 PHE A 42 -4.703 -1.326 1.789 1.00 74.40 H new ATOM 0 HZ PHE A 42 -4.024 0.528 0.319 1.00 1.51 H new ATOM 689 N LYS A 43 -10.485 -4.163 -2.150 1.00 71.24 N ATOM 690 CA LYS A 43 -11.374 -5.316 -2.366 1.00 14.11 C ATOM 691 C LYS A 43 -12.048 -5.243 -3.749 1.00 1.44 C ATOM 692 O LYS A 43 -12.073 -6.229 -4.492 1.00 44.12 O ATOM 693 CB LYS A 43 -12.419 -5.363 -1.233 1.00 23.24 C ATOM 694 CG LYS A 43 -13.135 -6.705 -1.053 1.00 14.42 C ATOM 695 CD LYS A 43 -14.303 -6.894 -2.020 1.00 20.32 C ATOM 696 CE LYS A 43 -15.063 -8.184 -1.726 1.00 74.23 C ATOM 697 NZ LYS A 43 -16.261 -8.343 -2.591 1.00 43.11 N ATOM 0 H LYS A 43 -10.836 -3.489 -1.469 1.00 71.24 H new ATOM 0 HA LYS A 43 -10.787 -6.234 -2.347 1.00 14.11 H new ATOM 0 HB2 LYS A 43 -11.925 -5.106 -0.296 1.00 23.24 H new ATOM 0 HB3 LYS A 43 -13.168 -4.594 -1.421 1.00 23.24 H new ATOM 0 HG2 LYS A 43 -12.419 -7.514 -1.195 1.00 14.42 H new ATOM 0 HG3 LYS A 43 -13.502 -6.780 -0.029 1.00 14.42 H new ATOM 0 HD2 LYS A 43 -14.982 -6.044 -1.944 1.00 20.32 H new ATOM 0 HD3 LYS A 43 -13.930 -6.914 -3.044 1.00 20.32 H new ATOM 0 HE2 LYS A 43 -14.398 -9.036 -1.870 1.00 74.23 H new ATOM 0 HE3 LYS A 43 -15.369 -8.192 -0.680 1.00 74.23 H new ATOM 0 HZ1 LYS A 43 -16.744 -9.233 -2.355 1.00 43.11 H new ATOM 0 HZ2 LYS A 43 -16.910 -7.545 -2.436 1.00 43.11 H new ATOM 0 HZ3 LYS A 43 -15.969 -8.362 -3.589 1.00 43.11 H new ATOM 711 N LYS A 44 -12.588 -4.072 -4.092 1.00 62.41 N ATOM 712 CA LYS A 44 -13.179 -3.849 -5.420 1.00 35.31 C ATOM 713 C LYS A 44 -13.077 -2.368 -5.820 1.00 75.21 C ATOM 714 O LYS A 44 -13.066 -1.483 -4.962 1.00 54.41 O ATOM 715 CB LYS A 44 -14.645 -4.314 -5.459 1.00 43.21 C ATOM 716 CG LYS A 44 -15.201 -4.461 -6.878 1.00 1.14 C ATOM 717 CD LYS A 44 -16.648 -4.963 -6.899 1.00 20.33 C ATOM 718 CE LYS A 44 -17.660 -3.848 -6.639 1.00 60.34 C ATOM 719 NZ LYS A 44 -17.484 -3.204 -5.309 1.00 44.51 N ATOM 0 H LYS A 44 -12.630 -3.263 -3.473 1.00 62.41 H new ATOM 0 HA LYS A 44 -12.614 -4.442 -6.139 1.00 35.31 H new ATOM 0 HB2 LYS A 44 -14.728 -5.271 -4.944 1.00 43.21 H new ATOM 0 HB3 LYS A 44 -15.259 -3.601 -4.909 1.00 43.21 H new ATOM 0 HG2 LYS A 44 -15.148 -3.498 -7.386 1.00 1.14 H new ATOM 0 HG3 LYS A 44 -14.573 -5.153 -7.440 1.00 1.14 H new ATOM 0 HD2 LYS A 44 -16.856 -5.420 -7.867 1.00 20.33 H new ATOM 0 HD3 LYS A 44 -16.770 -5.742 -6.146 1.00 20.33 H new ATOM 0 HE2 LYS A 44 -17.568 -3.092 -7.418 1.00 60.34 H new ATOM 0 HE3 LYS A 44 -18.668 -4.256 -6.709 1.00 60.34 H new ATOM 0 HZ1 LYS A 44 -18.382 -2.773 -5.010 1.00 44.51 H new ATOM 0 HZ2 LYS A 44 -17.195 -3.920 -4.612 1.00 44.51 H new ATOM 0 HZ3 LYS A 44 -16.752 -2.468 -5.374 1.00 44.51 H new ATOM 733 N ASP A 45 -13.007 -2.112 -7.130 1.00 62.53 N ATOM 734 CA ASP A 45 -12.783 -0.759 -7.665 1.00 53.34 C ATOM 735 C ASP A 45 -11.462 -0.151 -7.147 1.00 73.34 C ATOM 736 O ASP A 45 -11.435 0.992 -6.679 1.00 33.41 O ATOM 737 CB ASP A 45 -13.967 0.156 -7.326 1.00 54.30 C ATOM 738 CG ASP A 45 -15.258 -0.323 -7.959 1.00 4.13 C ATOM 739 OD1 ASP A 45 -15.471 -0.043 -9.156 1.00 42.31 O ATOM 740 OD2 ASP A 45 -16.070 -0.974 -7.268 1.00 73.33 O ATOM 0 H ASP A 45 -13.103 -2.830 -7.848 1.00 62.53 H new ATOM 0 HA ASP A 45 -12.703 -0.843 -8.749 1.00 53.34 H new ATOM 0 HB2 ASP A 45 -14.090 0.203 -6.244 1.00 54.30 H new ATOM 0 HB3 ASP A 45 -13.751 1.169 -7.666 1.00 54.30 H new ATOM 745 N PRO A 46 -10.338 -0.897 -7.245 1.00 61.11 N ATOM 746 CA PRO A 46 -9.044 -0.456 -6.732 1.00 32.12 C ATOM 747 C PRO A 46 -8.152 0.202 -7.805 1.00 31.15 C ATOM 748 O PRO A 46 -7.939 -0.353 -8.887 1.00 41.02 O ATOM 749 CB PRO A 46 -8.440 -1.778 -6.259 1.00 13.22 C ATOM 750 CG PRO A 46 -8.978 -2.817 -7.202 1.00 21.45 C ATOM 751 CD PRO A 46 -10.220 -2.236 -7.853 1.00 33.14 C ATOM 0 HA PRO A 46 -9.135 0.314 -5.965 1.00 32.12 H new ATOM 0 HB2 PRO A 46 -7.351 -1.746 -6.288 1.00 13.22 H new ATOM 0 HB3 PRO A 46 -8.725 -1.995 -5.230 1.00 13.22 H new ATOM 0 HG2 PRO A 46 -8.234 -3.074 -7.956 1.00 21.45 H new ATOM 0 HG3 PRO A 46 -9.219 -3.735 -6.666 1.00 21.45 H new ATOM 0 HD2 PRO A 46 -10.114 -2.176 -8.936 1.00 33.14 H new ATOM 0 HD3 PRO A 46 -11.100 -2.846 -7.652 1.00 33.14 H new ATOM 759 N SER A 47 -7.641 1.391 -7.507 1.00 2.55 N ATOM 760 CA SER A 47 -6.709 2.092 -8.403 1.00 71.21 C ATOM 761 C SER A 47 -5.674 2.881 -7.594 1.00 71.24 C ATOM 762 O SER A 47 -5.968 3.351 -6.499 1.00 73.01 O ATOM 763 CB SER A 47 -7.469 3.032 -9.351 1.00 22.02 C ATOM 764 OG SER A 47 -8.334 2.304 -10.211 1.00 1.42 O ATOM 0 H SER A 47 -7.854 1.898 -6.648 1.00 2.55 H new ATOM 0 HA SER A 47 -6.188 1.344 -9.001 1.00 71.21 H new ATOM 0 HB2 SER A 47 -8.049 3.749 -8.769 1.00 22.02 H new ATOM 0 HB3 SER A 47 -6.758 3.605 -9.946 1.00 22.02 H new ATOM 0 HG SER A 47 -8.807 2.926 -10.803 1.00 1.42 H new ATOM 770 N ILE A 48 -4.468 3.028 -8.144 1.00 4.44 N ATOM 771 CA ILE A 48 -3.351 3.664 -7.425 1.00 34.10 C ATOM 772 C ILE A 48 -3.700 5.075 -6.911 1.00 72.15 C ATOM 773 O ILE A 48 -3.852 5.283 -5.707 1.00 31.33 O ATOM 774 CB ILE A 48 -2.084 3.736 -8.319 1.00 62.20 C ATOM 775 CG1 ILE A 48 -1.669 2.326 -8.784 1.00 50.42 C ATOM 776 CG2 ILE A 48 -0.931 4.420 -7.578 1.00 25.04 C ATOM 777 CD1 ILE A 48 -1.256 1.400 -7.657 1.00 53.21 C ATOM 0 H ILE A 48 -4.234 2.716 -9.087 1.00 4.44 H new ATOM 0 HA ILE A 48 -3.151 3.035 -6.558 1.00 34.10 H new ATOM 0 HB ILE A 48 -2.323 4.333 -9.199 1.00 62.20 H new ATOM 0 HG12 ILE A 48 -2.500 1.874 -9.325 1.00 50.42 H new ATOM 0 HG13 ILE A 48 -0.842 2.416 -9.488 1.00 50.42 H new ATOM 0 HG21 ILE A 48 -0.055 4.458 -8.225 1.00 25.04 H new ATOM 0 HG22 ILE A 48 -1.225 5.433 -7.304 1.00 25.04 H new ATOM 0 HG23 ILE A 48 -0.692 3.856 -6.677 1.00 25.04 H new ATOM 0 HD11 ILE A 48 -0.979 0.429 -8.067 1.00 53.21 H new ATOM 0 HD12 ILE A 48 -0.404 1.827 -7.129 1.00 53.21 H new ATOM 0 HD13 ILE A 48 -2.088 1.277 -6.964 1.00 53.21 H new ATOM 789 N LYS A 49 -3.843 6.036 -7.826 1.00 72.04 N ATOM 790 CA LYS A 49 -4.093 7.437 -7.450 1.00 1.01 C ATOM 791 C LYS A 49 -5.392 7.583 -6.633 1.00 23.45 C ATOM 792 O LYS A 49 -5.444 8.324 -5.647 1.00 41.14 O ATOM 793 CB LYS A 49 -4.151 8.317 -8.708 1.00 14.21 C ATOM 794 CG LYS A 49 -4.212 9.817 -8.424 1.00 72.13 C ATOM 795 CD LYS A 49 -4.147 10.637 -9.712 1.00 31.34 C ATOM 796 CE LYS A 49 -4.117 12.137 -9.439 1.00 2.55 C ATOM 797 NZ LYS A 49 -3.968 12.925 -10.693 1.00 75.22 N ATOM 0 H LYS A 49 -3.791 5.874 -8.832 1.00 72.04 H new ATOM 0 HA LYS A 49 -3.268 7.767 -6.818 1.00 1.01 H new ATOM 0 HB2 LYS A 49 -3.274 8.111 -9.322 1.00 14.21 H new ATOM 0 HB3 LYS A 49 -5.025 8.034 -9.295 1.00 14.21 H new ATOM 0 HG2 LYS A 49 -5.133 10.050 -7.890 1.00 72.13 H new ATOM 0 HG3 LYS A 49 -3.386 10.098 -7.771 1.00 72.13 H new ATOM 0 HD2 LYS A 49 -3.258 10.354 -10.276 1.00 31.34 H new ATOM 0 HD3 LYS A 49 -5.009 10.400 -10.335 1.00 31.34 H new ATOM 0 HE2 LYS A 49 -5.035 12.432 -8.931 1.00 2.55 H new ATOM 0 HE3 LYS A 49 -3.292 12.367 -8.765 1.00 2.55 H new ATOM 0 HZ1 LYS A 49 -3.952 13.940 -10.466 1.00 75.22 H new ATOM 0 HZ2 LYS A 49 -3.079 12.662 -11.165 1.00 75.22 H new ATOM 0 HZ3 LYS A 49 -4.769 12.725 -11.326 1.00 75.22 H new ATOM 811 N SER A 50 -6.434 6.865 -7.051 1.00 65.23 N ATOM 812 CA SER A 50 -7.721 6.847 -6.334 1.00 73.24 C ATOM 813 C SER A 50 -7.548 6.411 -4.872 1.00 33.44 C ATOM 814 O SER A 50 -8.048 7.064 -3.952 1.00 12.40 O ATOM 815 CB SER A 50 -8.708 5.905 -7.041 1.00 5.11 C ATOM 816 OG SER A 50 -9.923 5.779 -6.316 1.00 3.42 O ATOM 0 H SER A 50 -6.417 6.282 -7.888 1.00 65.23 H new ATOM 0 HA SER A 50 -8.116 7.863 -6.340 1.00 73.24 H new ATOM 0 HB2 SER A 50 -8.918 6.283 -8.042 1.00 5.11 H new ATOM 0 HB3 SER A 50 -8.252 4.922 -7.160 1.00 5.11 H new ATOM 0 HG SER A 50 -10.528 5.174 -6.794 1.00 3.42 H new ATOM 822 N SER A 51 -6.824 5.313 -4.665 1.00 75.44 N ATOM 823 CA SER A 51 -6.568 4.788 -3.315 1.00 54.32 C ATOM 824 C SER A 51 -5.742 5.775 -2.478 1.00 14.03 C ATOM 825 O SER A 51 -6.012 5.979 -1.294 1.00 71.03 O ATOM 826 CB SER A 51 -5.840 3.438 -3.394 1.00 43.21 C ATOM 827 OG SER A 51 -5.626 2.889 -2.105 1.00 14.51 O ATOM 0 H SER A 51 -6.401 4.765 -5.414 1.00 75.44 H new ATOM 0 HA SER A 51 -7.533 4.649 -2.827 1.00 54.32 H new ATOM 0 HB2 SER A 51 -6.425 2.742 -3.995 1.00 43.21 H new ATOM 0 HB3 SER A 51 -4.883 3.568 -3.899 1.00 43.21 H new ATOM 0 HG SER A 51 -4.687 2.624 -2.014 1.00 14.51 H new ATOM 833 N LEU A 52 -4.743 6.400 -3.107 1.00 60.23 N ATOM 834 CA LEU A 52 -3.896 7.393 -2.430 1.00 13.32 C ATOM 835 C LEU A 52 -4.731 8.548 -1.844 1.00 25.22 C ATOM 836 O LEU A 52 -4.396 9.098 -0.789 1.00 33.14 O ATOM 837 CB LEU A 52 -2.844 7.946 -3.404 1.00 3.25 C ATOM 838 CG LEU A 52 -1.857 6.908 -3.973 1.00 53.21 C ATOM 839 CD1 LEU A 52 -0.877 7.567 -4.941 1.00 63.14 C ATOM 840 CD2 LEU A 52 -1.109 6.199 -2.848 1.00 21.25 C ATOM 0 H LEU A 52 -4.499 6.238 -4.084 1.00 60.23 H new ATOM 0 HA LEU A 52 -3.394 6.890 -1.603 1.00 13.32 H new ATOM 0 HB2 LEU A 52 -3.360 8.425 -4.236 1.00 3.25 H new ATOM 0 HB3 LEU A 52 -2.274 8.722 -2.894 1.00 3.25 H new ATOM 0 HG LEU A 52 -2.430 6.162 -4.524 1.00 53.21 H new ATOM 0 HD11 LEU A 52 -0.190 6.816 -5.330 1.00 63.14 H new ATOM 0 HD12 LEU A 52 -1.428 8.017 -5.767 1.00 63.14 H new ATOM 0 HD13 LEU A 52 -0.312 8.339 -4.418 1.00 63.14 H new ATOM 0 HD21 LEU A 52 -0.418 5.471 -3.273 1.00 21.25 H new ATOM 0 HD22 LEU A 52 -0.551 6.931 -2.264 1.00 21.25 H new ATOM 0 HD23 LEU A 52 -1.823 5.688 -2.202 1.00 21.25 H new ATOM 852 N LYS A 53 -5.820 8.905 -2.530 1.00 62.44 N ATOM 853 CA LYS A 53 -6.754 9.935 -2.040 1.00 23.54 C ATOM 854 C LYS A 53 -7.374 9.529 -0.690 1.00 73.44 C ATOM 855 O LYS A 53 -7.705 10.377 0.138 1.00 25.44 O ATOM 856 CB LYS A 53 -7.869 10.175 -3.069 1.00 12.32 C ATOM 857 CG LYS A 53 -7.363 10.562 -4.455 1.00 0.05 C ATOM 858 CD LYS A 53 -8.512 10.727 -5.445 1.00 2.15 C ATOM 859 CE LYS A 53 -8.007 11.031 -6.851 1.00 4.34 C ATOM 860 NZ LYS A 53 -9.125 11.220 -7.812 1.00 53.33 N ATOM 0 H LYS A 53 -6.081 8.498 -3.428 1.00 62.44 H new ATOM 0 HA LYS A 53 -6.189 10.856 -1.896 1.00 23.54 H new ATOM 0 HB2 LYS A 53 -8.472 9.271 -3.153 1.00 12.32 H new ATOM 0 HB3 LYS A 53 -8.526 10.963 -2.700 1.00 12.32 H new ATOM 0 HG2 LYS A 53 -6.800 11.493 -4.391 1.00 0.05 H new ATOM 0 HG3 LYS A 53 -6.675 9.798 -4.818 1.00 0.05 H new ATOM 0 HD2 LYS A 53 -9.111 9.816 -5.463 1.00 2.15 H new ATOM 0 HD3 LYS A 53 -9.167 11.532 -5.112 1.00 2.15 H new ATOM 0 HE2 LYS A 53 -7.391 11.930 -6.829 1.00 4.34 H new ATOM 0 HE3 LYS A 53 -7.369 10.216 -7.192 1.00 4.34 H new ATOM 0 HZ1 LYS A 53 -8.740 11.425 -8.756 1.00 53.33 H new ATOM 0 HZ2 LYS A 53 -9.698 10.353 -7.852 1.00 53.33 H new ATOM 0 HZ3 LYS A 53 -9.720 12.014 -7.501 1.00 53.33 H new ATOM 874 N PHE A 54 -7.530 8.224 -0.485 1.00 64.11 N ATOM 875 CA PHE A 54 -8.063 7.681 0.769 1.00 3.23 C ATOM 876 C PHE A 54 -6.946 7.509 1.812 1.00 20.52 C ATOM 877 O PHE A 54 -7.080 7.929 2.963 1.00 52.44 O ATOM 878 CB PHE A 54 -8.755 6.334 0.496 1.00 42.45 C ATOM 879 CG PHE A 54 -9.346 5.671 1.720 1.00 34.24 C ATOM 880 CD1 PHE A 54 -10.589 6.059 2.205 1.00 72.13 C ATOM 881 CD2 PHE A 54 -8.664 4.658 2.381 1.00 55.21 C ATOM 882 CE1 PHE A 54 -11.137 5.453 3.320 1.00 34.21 C ATOM 883 CE2 PHE A 54 -9.209 4.047 3.496 1.00 23.23 C ATOM 884 CZ PHE A 54 -10.446 4.445 3.966 1.00 62.33 C ATOM 0 H PHE A 54 -7.293 7.513 -1.177 1.00 64.11 H new ATOM 0 HA PHE A 54 -8.792 8.384 1.172 1.00 3.23 H new ATOM 0 HB2 PHE A 54 -9.548 6.489 -0.236 1.00 42.45 H new ATOM 0 HB3 PHE A 54 -8.033 5.654 0.044 1.00 42.45 H new ATOM 0 HD1 PHE A 54 -11.135 6.845 1.704 1.00 72.13 H new ATOM 0 HD2 PHE A 54 -7.696 4.343 2.020 1.00 55.21 H new ATOM 0 HE1 PHE A 54 -12.104 5.767 3.686 1.00 34.21 H new ATOM 0 HE2 PHE A 54 -8.668 3.259 3.999 1.00 23.23 H new ATOM 0 HZ PHE A 54 -10.872 3.969 4.837 1.00 62.33 H new ATOM 894 N LEU A 55 -5.839 6.903 1.391 1.00 30.14 N ATOM 895 CA LEU A 55 -4.716 6.596 2.289 1.00 40.33 C ATOM 896 C LEU A 55 -4.127 7.854 2.956 1.00 13.34 C ATOM 897 O LEU A 55 -3.683 7.799 4.103 1.00 5.41 O ATOM 898 CB LEU A 55 -3.614 5.858 1.517 1.00 13.31 C ATOM 899 CG LEU A 55 -4.039 4.528 0.870 1.00 71.51 C ATOM 900 CD1 LEU A 55 -2.876 3.902 0.100 1.00 3.43 C ATOM 901 CD2 LEU A 55 -4.581 3.557 1.921 1.00 22.22 C ATOM 0 H LEU A 55 -5.690 6.610 0.425 1.00 30.14 H new ATOM 0 HA LEU A 55 -5.109 5.961 3.083 1.00 40.33 H new ATOM 0 HB2 LEU A 55 -3.237 6.518 0.736 1.00 13.31 H new ATOM 0 HB3 LEU A 55 -2.785 5.663 2.198 1.00 13.31 H new ATOM 0 HG LEU A 55 -4.840 4.739 0.162 1.00 71.51 H new ATOM 0 HD11 LEU A 55 -3.200 2.963 -0.349 1.00 3.43 H new ATOM 0 HD12 LEU A 55 -2.549 4.585 -0.684 1.00 3.43 H new ATOM 0 HD13 LEU A 55 -2.048 3.711 0.783 1.00 3.43 H new ATOM 0 HD21 LEU A 55 -4.874 2.625 1.438 1.00 22.22 H new ATOM 0 HD22 LEU A 55 -3.808 3.354 2.662 1.00 22.22 H new ATOM 0 HD23 LEU A 55 -5.447 3.999 2.413 1.00 22.22 H new ATOM 913 N ARG A 56 -4.126 8.981 2.237 1.00 40.15 N ATOM 914 CA ARG A 56 -3.540 10.232 2.752 1.00 14.01 C ATOM 915 C ARG A 56 -4.181 10.678 4.084 1.00 70.01 C ATOM 916 O ARG A 56 -3.480 11.027 5.035 1.00 21.53 O ATOM 917 CB ARG A 56 -3.670 11.361 1.714 1.00 21.22 C ATOM 918 CG ARG A 56 -5.107 11.642 1.281 1.00 71.12 C ATOM 919 CD ARG A 56 -5.223 12.929 0.467 1.00 20.02 C ATOM 920 NE ARG A 56 -4.389 12.916 -0.737 1.00 33.51 N ATOM 921 CZ ARG A 56 -4.170 13.967 -1.483 1.00 13.44 C ATOM 922 NH1 ARG A 56 -4.723 15.105 -1.198 1.00 21.12 N ATOM 923 NH2 ARG A 56 -3.402 13.872 -2.518 1.00 34.50 N ATOM 0 H ARG A 56 -4.522 9.057 1.300 1.00 40.15 H new ATOM 0 HA ARG A 56 -2.486 10.028 2.941 1.00 14.01 H new ATOM 0 HB2 ARG A 56 -3.241 12.273 2.129 1.00 21.22 H new ATOM 0 HB3 ARG A 56 -3.080 11.102 0.835 1.00 21.22 H new ATOM 0 HG2 ARG A 56 -5.476 10.805 0.689 1.00 71.12 H new ATOM 0 HG3 ARG A 56 -5.743 11.714 2.163 1.00 71.12 H new ATOM 0 HD2 ARG A 56 -6.264 13.080 0.181 1.00 20.02 H new ATOM 0 HD3 ARG A 56 -4.938 13.776 1.092 1.00 20.02 H new ATOM 0 HE ARG A 56 -3.953 12.035 -1.010 1.00 33.51 H new ATOM 0 HH11 ARG A 56 -5.335 15.186 -0.386 1.00 21.12 H new ATOM 0 HH12 ARG A 56 -4.546 15.919 -1.786 1.00 21.12 H new ATOM 0 HH21 ARG A 56 -2.968 12.979 -2.751 1.00 34.50 H new ATOM 0 HH22 ARG A 56 -3.229 14.690 -3.102 1.00 34.50 H new ATOM 937 N LYS A 57 -5.512 10.656 4.152 1.00 25.51 N ATOM 938 CA LYS A 57 -6.230 11.154 5.335 1.00 45.23 C ATOM 939 C LYS A 57 -6.725 10.013 6.238 1.00 22.41 C ATOM 940 O LYS A 57 -7.371 10.250 7.258 1.00 34.25 O ATOM 941 CB LYS A 57 -7.401 12.052 4.903 1.00 14.12 C ATOM 942 CG LYS A 57 -8.517 11.329 4.151 1.00 53.31 C ATOM 943 CD LYS A 57 -9.545 12.320 3.608 1.00 11.34 C ATOM 944 CE LYS A 57 -10.778 11.627 3.045 1.00 31.22 C ATOM 945 NZ LYS A 57 -11.589 10.961 4.104 1.00 43.35 N ATOM 0 H LYS A 57 -6.115 10.302 3.410 1.00 25.51 H new ATOM 0 HA LYS A 57 -5.526 11.742 5.924 1.00 45.23 H new ATOM 0 HB2 LYS A 57 -7.825 12.524 5.789 1.00 14.12 H new ATOM 0 HB3 LYS A 57 -7.014 12.851 4.271 1.00 14.12 H new ATOM 0 HG2 LYS A 57 -8.092 10.754 3.329 1.00 53.31 H new ATOM 0 HG3 LYS A 57 -9.008 10.619 4.817 1.00 53.31 H new ATOM 0 HD2 LYS A 57 -9.846 13.000 4.405 1.00 11.34 H new ATOM 0 HD3 LYS A 57 -9.084 12.926 2.828 1.00 11.34 H new ATOM 0 HE2 LYS A 57 -11.396 12.358 2.524 1.00 31.22 H new ATOM 0 HE3 LYS A 57 -10.470 10.886 2.307 1.00 31.22 H new ATOM 0 HZ1 LYS A 57 -12.504 10.666 3.707 1.00 43.35 H new ATOM 0 HZ2 LYS A 57 -11.080 10.126 4.457 1.00 43.35 H new ATOM 0 HZ3 LYS A 57 -11.750 11.626 4.888 1.00 43.35 H new ATOM 959 N THR A 58 -6.421 8.775 5.858 1.00 62.44 N ATOM 960 CA THR A 58 -6.728 7.612 6.700 1.00 73.22 C ATOM 961 C THR A 58 -5.446 7.104 7.373 1.00 44.42 C ATOM 962 O THR A 58 -4.733 6.258 6.826 1.00 12.42 O ATOM 963 CB THR A 58 -7.379 6.464 5.890 1.00 71.45 C ATOM 964 OG1 THR A 58 -8.489 6.963 5.127 1.00 74.52 O ATOM 965 CG2 THR A 58 -7.865 5.350 6.811 1.00 72.11 C ATOM 0 H THR A 58 -5.963 8.547 4.975 1.00 62.44 H new ATOM 0 HA THR A 58 -7.445 7.934 7.456 1.00 73.22 H new ATOM 0 HB THR A 58 -6.622 6.060 5.218 1.00 71.45 H new ATOM 0 HG1 THR A 58 -8.161 7.359 4.293 1.00 74.52 H new ATOM 0 HG21 THR A 58 -8.318 4.557 6.216 1.00 72.11 H new ATOM 0 HG22 THR A 58 -7.021 4.947 7.371 1.00 72.11 H new ATOM 0 HG23 THR A 58 -8.604 5.749 7.506 1.00 72.11 H new ATOM 973 N ASP A 59 -5.162 7.639 8.559 1.00 11.11 N ATOM 974 CA ASP A 59 -3.878 7.426 9.243 1.00 12.24 C ATOM 975 C ASP A 59 -3.525 5.943 9.438 1.00 55.51 C ATOM 976 O ASP A 59 -2.436 5.510 9.057 1.00 64.50 O ATOM 977 CB ASP A 59 -3.891 8.149 10.589 1.00 52.51 C ATOM 978 CG ASP A 59 -4.048 9.649 10.419 1.00 25.15 C ATOM 979 OD1 ASP A 59 -3.027 10.338 10.208 1.00 54.42 O ATOM 980 OD2 ASP A 59 -5.195 10.142 10.473 1.00 51.15 O ATOM 0 H ASP A 59 -5.811 8.232 9.076 1.00 11.11 H new ATOM 0 HA ASP A 59 -3.102 7.839 8.598 1.00 12.24 H new ATOM 0 HB2 ASP A 59 -4.707 7.765 11.201 1.00 52.51 H new ATOM 0 HB3 ASP A 59 -2.965 7.938 11.124 1.00 52.51 H new ATOM 985 N TRP A 60 -4.433 5.165 10.025 1.00 52.55 N ATOM 986 CA TRP A 60 -4.164 3.742 10.272 1.00 55.55 C ATOM 987 C TRP A 60 -3.866 2.988 8.965 1.00 42.44 C ATOM 988 O TRP A 60 -2.983 2.134 8.920 1.00 23.11 O ATOM 989 CB TRP A 60 -5.319 3.073 11.031 1.00 73.02 C ATOM 990 CG TRP A 60 -6.636 3.077 10.309 1.00 64.41 C ATOM 991 CD1 TRP A 60 -7.494 4.126 10.185 1.00 64.43 C ATOM 992 CD2 TRP A 60 -7.255 1.972 9.639 1.00 44.13 C ATOM 993 NE1 TRP A 60 -8.607 3.745 9.479 1.00 23.21 N ATOM 994 CE2 TRP A 60 -8.483 2.427 9.128 1.00 10.45 C ATOM 995 CE3 TRP A 60 -6.886 0.642 9.420 1.00 33.32 C ATOM 996 CZ2 TRP A 60 -9.348 1.599 8.415 1.00 62.31 C ATOM 997 CZ3 TRP A 60 -7.743 -0.179 8.709 1.00 44.15 C ATOM 998 CH2 TRP A 60 -8.960 0.302 8.214 1.00 53.14 C ATOM 0 H TRP A 60 -5.350 5.486 10.336 1.00 52.55 H new ATOM 0 HA TRP A 60 -3.275 3.691 10.900 1.00 55.55 H new ATOM 0 HB2 TRP A 60 -5.043 2.041 11.247 1.00 73.02 H new ATOM 0 HB3 TRP A 60 -5.445 3.577 11.989 1.00 73.02 H new ATOM 0 HD1 TRP A 60 -7.324 5.115 10.584 1.00 64.43 H new ATOM 0 HE1 TRP A 60 -9.399 4.346 9.252 1.00 23.21 H new ATOM 0 HE3 TRP A 60 -5.949 0.262 9.799 1.00 33.32 H new ATOM 0 HZ2 TRP A 60 -10.290 1.967 8.035 1.00 62.31 H new ATOM 0 HZ3 TRP A 60 -7.468 -1.208 8.533 1.00 44.15 H new ATOM 0 HH2 TRP A 60 -9.607 -0.364 7.662 1.00 53.14 H new ATOM 1009 N ALA A 61 -4.594 3.314 7.897 1.00 72.23 N ATOM 1010 CA ALA A 61 -4.329 2.724 6.581 1.00 65.24 C ATOM 1011 C ALA A 61 -2.937 3.128 6.073 1.00 23.14 C ATOM 1012 O ALA A 61 -2.179 2.295 5.583 1.00 11.31 O ATOM 1013 CB ALA A 61 -5.406 3.138 5.584 1.00 1.22 C ATOM 0 H ALA A 61 -5.367 3.979 7.914 1.00 72.23 H new ATOM 0 HA ALA A 61 -4.351 1.639 6.682 1.00 65.24 H new ATOM 0 HB1 ALA A 61 -5.194 2.691 4.613 1.00 1.22 H new ATOM 0 HB2 ALA A 61 -6.379 2.795 5.936 1.00 1.22 H new ATOM 0 HB3 ALA A 61 -5.416 4.224 5.490 1.00 1.22 H new ATOM 1019 N ARG A 62 -2.609 4.411 6.220 1.00 75.23 N ATOM 1020 CA ARG A 62 -1.291 4.940 5.841 1.00 71.02 C ATOM 1021 C ARG A 62 -0.158 4.147 6.517 1.00 41.31 C ATOM 1022 O ARG A 62 0.736 3.626 5.844 1.00 72.40 O ATOM 1023 CB ARG A 62 -1.213 6.429 6.232 1.00 23.44 C ATOM 1024 CG ARG A 62 0.142 7.104 5.991 1.00 31.32 C ATOM 1025 CD ARG A 62 0.512 7.172 4.512 1.00 31.13 C ATOM 1026 NE ARG A 62 1.530 8.197 4.256 1.00 13.52 N ATOM 1027 CZ ARG A 62 2.566 8.043 3.474 1.00 21.23 C ATOM 1028 NH1 ARG A 62 2.821 6.897 2.934 1.00 42.04 N ATOM 1029 NH2 ARG A 62 3.362 9.041 3.262 1.00 1.50 N ATOM 0 H ARG A 62 -3.242 5.113 6.603 1.00 75.23 H new ATOM 0 HA ARG A 62 -1.166 4.837 4.763 1.00 71.02 H new ATOM 0 HB2 ARG A 62 -1.975 6.974 5.674 1.00 23.44 H new ATOM 0 HB3 ARG A 62 -1.463 6.523 7.289 1.00 23.44 H new ATOM 0 HG2 ARG A 62 0.119 8.113 6.402 1.00 31.32 H new ATOM 0 HG3 ARG A 62 0.916 6.558 6.530 1.00 31.32 H new ATOM 0 HD2 ARG A 62 0.882 6.201 4.184 1.00 31.13 H new ATOM 0 HD3 ARG A 62 -0.379 7.389 3.923 1.00 31.13 H new ATOM 0 HE ARG A 62 1.421 9.097 4.723 1.00 13.52 H new ATOM 0 HH11 ARG A 62 2.211 6.100 3.116 1.00 42.04 H new ATOM 0 HH12 ARG A 62 3.632 6.789 2.325 1.00 42.04 H new ATOM 0 HH21 ARG A 62 3.179 9.942 3.704 1.00 1.50 H new ATOM 0 HH22 ARG A 62 4.172 8.927 2.653 1.00 1.50 H new ATOM 1043 N GLU A 63 -0.222 4.039 7.846 1.00 53.24 N ATOM 1044 CA GLU A 63 0.803 3.326 8.616 1.00 52.21 C ATOM 1045 C GLU A 63 0.860 1.833 8.255 1.00 33.43 C ATOM 1046 O GLU A 63 1.938 1.235 8.216 1.00 71.51 O ATOM 1047 CB GLU A 63 0.563 3.485 10.125 1.00 3.53 C ATOM 1048 CG GLU A 63 0.541 4.935 10.601 1.00 21.24 C ATOM 1049 CD GLU A 63 0.573 5.055 12.118 1.00 31.22 C ATOM 1050 OE1 GLU A 63 -0.497 4.943 12.761 1.00 60.43 O ATOM 1051 OE2 GLU A 63 1.674 5.249 12.679 1.00 73.01 O ATOM 0 H GLU A 63 -0.972 4.436 8.412 1.00 53.24 H new ATOM 0 HA GLU A 63 1.762 3.774 8.355 1.00 52.21 H new ATOM 0 HB2 GLU A 63 -0.386 3.014 10.383 1.00 3.53 H new ATOM 0 HB3 GLU A 63 1.343 2.948 10.665 1.00 3.53 H new ATOM 0 HG2 GLU A 63 1.396 5.464 10.181 1.00 21.24 H new ATOM 0 HG3 GLU A 63 -0.355 5.425 10.221 1.00 21.24 H new ATOM 1058 N ARG A 64 -0.301 1.224 8.004 1.00 34.40 N ATOM 1059 CA ARG A 64 -0.358 -0.196 7.636 1.00 24.31 C ATOM 1060 C ARG A 64 0.251 -0.447 6.244 1.00 71.50 C ATOM 1061 O ARG A 64 1.047 -1.370 6.069 1.00 73.03 O ATOM 1062 CB ARG A 64 -1.802 -0.717 7.694 1.00 52.23 C ATOM 1063 CG ARG A 64 -2.374 -0.764 9.111 1.00 52.33 C ATOM 1064 CD ARG A 64 -3.830 -1.226 9.137 1.00 70.24 C ATOM 1065 NE ARG A 64 -3.986 -2.620 8.715 1.00 24.54 N ATOM 1066 CZ ARG A 64 -4.958 -3.405 9.113 1.00 40.15 C ATOM 1067 NH1 ARG A 64 -5.866 -2.975 9.933 1.00 1.21 N ATOM 1068 NH2 ARG A 64 -5.020 -4.622 8.687 1.00 15.10 N ATOM 0 H ARG A 64 -1.209 1.686 8.048 1.00 34.40 H new ATOM 0 HA ARG A 64 0.240 -0.746 8.363 1.00 24.31 H new ATOM 0 HB2 ARG A 64 -2.435 -0.081 7.076 1.00 52.23 H new ATOM 0 HB3 ARG A 64 -1.837 -1.717 7.263 1.00 52.23 H new ATOM 0 HG2 ARG A 64 -1.771 -1.437 9.721 1.00 52.33 H new ATOM 0 HG3 ARG A 64 -2.302 0.226 9.562 1.00 52.33 H new ATOM 0 HD2 ARG A 64 -4.227 -1.109 10.146 1.00 70.24 H new ATOM 0 HD3 ARG A 64 -4.423 -0.584 8.485 1.00 70.24 H new ATOM 0 HE ARG A 64 -3.295 -3.004 8.071 1.00 24.54 H new ATOM 0 HH11 ARG A 64 -5.830 -2.015 10.277 1.00 1.21 H new ATOM 0 HH12 ARG A 64 -6.617 -3.597 10.234 1.00 1.21 H new ATOM 0 HH21 ARG A 64 -4.313 -4.973 8.041 1.00 15.10 H new ATOM 0 HH22 ARG A 64 -5.776 -5.233 8.997 1.00 15.10 H new ATOM 1082 N VAL A 65 -0.109 0.384 5.263 1.00 4.21 N ATOM 1083 CA VAL A 65 0.446 0.269 3.906 1.00 13.03 C ATOM 1084 C VAL A 65 1.977 0.422 3.911 1.00 72.33 C ATOM 1085 O VAL A 65 2.693 -0.352 3.270 1.00 1.45 O ATOM 1086 CB VAL A 65 -0.181 1.313 2.939 1.00 74.21 C ATOM 1087 CG1 VAL A 65 0.484 1.260 1.563 1.00 71.32 C ATOM 1088 CG2 VAL A 65 -1.688 1.093 2.817 1.00 72.43 C ATOM 0 H VAL A 65 -0.780 1.143 5.379 1.00 4.21 H new ATOM 0 HA VAL A 65 0.194 -0.729 3.548 1.00 13.03 H new ATOM 0 HB VAL A 65 -0.008 2.305 3.357 1.00 74.21 H new ATOM 0 HG11 VAL A 65 0.025 2.001 0.908 1.00 71.32 H new ATOM 0 HG12 VAL A 65 1.548 1.475 1.664 1.00 71.32 H new ATOM 0 HG13 VAL A 65 0.354 0.266 1.134 1.00 71.32 H new ATOM 0 HG21 VAL A 65 -2.110 1.833 2.136 1.00 72.43 H new ATOM 0 HG22 VAL A 65 -1.879 0.092 2.429 1.00 72.43 H new ATOM 0 HG23 VAL A 65 -2.151 1.197 3.798 1.00 72.43 H new ATOM 1098 N GLU A 66 2.480 1.413 4.644 1.00 73.24 N ATOM 1099 CA GLU A 66 3.928 1.606 4.772 1.00 42.31 C ATOM 1100 C GLU A 66 4.588 0.424 5.504 1.00 41.13 C ATOM 1101 O GLU A 66 5.713 0.034 5.187 1.00 42.31 O ATOM 1102 CB GLU A 66 4.238 2.921 5.500 1.00 51.51 C ATOM 1103 CG GLU A 66 3.762 4.168 4.754 1.00 0.44 C ATOM 1104 CD GLU A 66 4.300 5.461 5.353 1.00 13.22 C ATOM 1105 OE1 GLU A 66 5.441 5.845 5.015 1.00 13.41 O ATOM 1106 OE2 GLU A 66 3.593 6.098 6.161 1.00 30.31 O ATOM 0 H GLU A 66 1.915 2.091 5.155 1.00 73.24 H new ATOM 0 HA GLU A 66 4.344 1.656 3.766 1.00 42.31 H new ATOM 0 HB2 GLU A 66 3.772 2.898 6.485 1.00 51.51 H new ATOM 0 HB3 GLU A 66 5.314 2.993 5.658 1.00 51.51 H new ATOM 0 HG2 GLU A 66 4.071 4.101 3.711 1.00 0.44 H new ATOM 0 HG3 GLU A 66 2.672 4.196 4.762 1.00 0.44 H new ATOM 1113 N ASN A 67 3.879 -0.153 6.475 1.00 0.43 N ATOM 1114 CA ASN A 67 4.373 -1.333 7.194 1.00 45.32 C ATOM 1115 C ASN A 67 4.505 -2.543 6.245 1.00 31.31 C ATOM 1116 O ASN A 67 5.396 -3.381 6.407 1.00 32.54 O ATOM 1117 CB ASN A 67 3.443 -1.674 8.365 1.00 14.23 C ATOM 1118 CG ASN A 67 3.993 -2.788 9.234 1.00 13.40 C ATOM 1119 OD1 ASN A 67 5.201 -2.940 9.383 1.00 44.22 O ATOM 1120 ND2 ASN A 67 3.118 -3.577 9.818 1.00 35.23 N ATOM 0 H ASN A 67 2.963 0.175 6.783 1.00 0.43 H new ATOM 0 HA ASN A 67 5.362 -1.100 7.588 1.00 45.32 H new ATOM 0 HB2 ASN A 67 3.289 -0.784 8.975 1.00 14.23 H new ATOM 0 HB3 ASN A 67 2.467 -1.967 7.977 1.00 14.23 H new ATOM 0 HD21 ASN A 67 3.438 -4.340 10.414 1.00 35.23 H new ATOM 0 HD22 ASN A 67 2.120 -3.426 9.675 1.00 35.23 H new ATOM 1127 N ILE A 68 3.610 -2.631 5.259 1.00 60.01 N ATOM 1128 CA ILE A 68 3.708 -3.666 4.218 1.00 53.33 C ATOM 1129 C ILE A 68 4.995 -3.480 3.399 1.00 62.41 C ATOM 1130 O ILE A 68 5.676 -4.447 3.061 1.00 13.31 O ATOM 1131 CB ILE A 68 2.487 -3.636 3.259 1.00 62.00 C ATOM 1132 CG1 ILE A 68 1.172 -3.720 4.047 1.00 3.45 C ATOM 1133 CG2 ILE A 68 2.571 -4.776 2.242 1.00 1.11 C ATOM 1134 CD1 ILE A 68 -0.065 -3.537 3.190 1.00 45.44 C ATOM 0 H ILE A 68 2.812 -2.004 5.156 1.00 60.01 H new ATOM 0 HA ILE A 68 3.726 -4.631 4.725 1.00 53.33 H new ATOM 0 HB ILE A 68 2.505 -2.689 2.720 1.00 62.00 H new ATOM 0 HG12 ILE A 68 1.118 -4.688 4.545 1.00 3.45 H new ATOM 0 HG13 ILE A 68 1.178 -2.960 4.828 1.00 3.45 H new ATOM 0 HG21 ILE A 68 1.706 -4.737 1.580 1.00 1.11 H new ATOM 0 HG22 ILE A 68 3.483 -4.673 1.654 1.00 1.11 H new ATOM 0 HG23 ILE A 68 2.584 -5.731 2.767 1.00 1.11 H new ATOM 0 HD11 ILE A 68 -0.955 -3.609 3.815 1.00 45.44 H new ATOM 0 HD12 ILE A 68 -0.035 -2.558 2.713 1.00 45.44 H new ATOM 0 HD13 ILE A 68 -0.096 -4.313 2.425 1.00 45.44 H new ATOM 1146 N TYR A 69 5.322 -2.223 3.092 1.00 1.30 N ATOM 1147 CA TYR A 69 6.573 -1.890 2.398 1.00 4.13 C ATOM 1148 C TYR A 69 7.799 -2.370 3.194 1.00 34.44 C ATOM 1149 O TYR A 69 8.746 -2.917 2.622 1.00 2.44 O ATOM 1150 CB TYR A 69 6.653 -0.379 2.155 1.00 3.44 C ATOM 1151 CG TYR A 69 7.941 0.079 1.493 1.00 32.12 C ATOM 1152 CD1 TYR A 69 8.163 -0.129 0.134 1.00 11.31 C ATOM 1153 CD2 TYR A 69 8.935 0.719 2.229 1.00 54.03 C ATOM 1154 CE1 TYR A 69 9.336 0.287 -0.470 1.00 74.21 C ATOM 1155 CE2 TYR A 69 10.109 1.136 1.632 1.00 15.40 C ATOM 1156 CZ TYR A 69 10.306 0.921 0.286 1.00 62.03 C ATOM 1157 OH TYR A 69 11.481 1.333 -0.301 1.00 0.43 O ATOM 0 H TYR A 69 4.738 -1.416 3.312 1.00 1.30 H new ATOM 0 HA TYR A 69 6.576 -2.406 1.438 1.00 4.13 H new ATOM 0 HB2 TYR A 69 5.811 -0.078 1.532 1.00 3.44 H new ATOM 0 HB3 TYR A 69 6.545 0.137 3.109 1.00 3.44 H new ATOM 0 HD1 TYR A 69 7.407 -0.623 -0.458 1.00 11.31 H new ATOM 0 HD2 TYR A 69 8.786 0.892 3.284 1.00 54.03 H new ATOM 0 HE1 TYR A 69 9.494 0.118 -1.525 1.00 74.21 H new ATOM 0 HE2 TYR A 69 10.870 1.629 2.219 1.00 15.40 H new ATOM 0 HH TYR A 69 12.051 1.761 0.372 1.00 0.43 H new ATOM 1167 N LEU A 70 7.777 -2.157 4.510 1.00 75.31 N ATOM 1168 CA LEU A 70 8.844 -2.649 5.393 1.00 53.43 C ATOM 1169 C LEU A 70 8.950 -4.181 5.310 1.00 31.50 C ATOM 1170 O LEU A 70 10.047 -4.736 5.188 1.00 4.03 O ATOM 1171 CB LEU A 70 8.578 -2.213 6.842 1.00 20.41 C ATOM 1172 CG LEU A 70 8.460 -0.695 7.065 1.00 71.11 C ATOM 1173 CD1 LEU A 70 8.133 -0.384 8.524 1.00 45.42 C ATOM 1174 CD2 LEU A 70 9.743 0.017 6.636 1.00 31.50 C ATOM 0 H LEU A 70 7.035 -1.648 4.991 1.00 75.31 H new ATOM 0 HA LEU A 70 9.790 -2.219 5.064 1.00 53.43 H new ATOM 0 HB2 LEU A 70 7.656 -2.685 7.182 1.00 20.41 H new ATOM 0 HB3 LEU A 70 9.382 -2.594 7.471 1.00 20.41 H new ATOM 0 HG LEU A 70 7.642 -0.325 6.447 1.00 71.11 H new ATOM 0 HD11 LEU A 70 8.055 0.695 8.657 1.00 45.42 H new ATOM 0 HD12 LEU A 70 7.186 -0.853 8.793 1.00 45.42 H new ATOM 0 HD13 LEU A 70 8.925 -0.772 9.165 1.00 45.42 H new ATOM 0 HD21 LEU A 70 9.637 1.089 6.802 1.00 31.50 H new ATOM 0 HD22 LEU A 70 10.582 -0.360 7.221 1.00 31.50 H new ATOM 0 HD23 LEU A 70 9.926 -0.170 5.578 1.00 31.50 H new ATOM 1186 N LYS A 71 7.797 -4.846 5.375 1.00 64.44 N ATOM 1187 CA LYS A 71 7.713 -6.302 5.205 1.00 31.11 C ATOM 1188 C LYS A 71 8.275 -6.733 3.837 1.00 32.11 C ATOM 1189 O LYS A 71 8.913 -7.781 3.711 1.00 43.24 O ATOM 1190 CB LYS A 71 6.250 -6.751 5.337 1.00 23.43 C ATOM 1191 CG LYS A 71 6.047 -8.263 5.266 1.00 41.24 C ATOM 1192 CD LYS A 71 4.564 -8.635 5.277 1.00 71.00 C ATOM 1193 CE LYS A 71 4.356 -10.145 5.249 1.00 74.55 C ATOM 1194 NZ LYS A 71 4.896 -10.808 6.466 1.00 71.20 N ATOM 0 H LYS A 71 6.897 -4.396 5.546 1.00 64.44 H new ATOM 0 HA LYS A 71 8.313 -6.777 5.981 1.00 31.11 H new ATOM 0 HB2 LYS A 71 5.855 -6.387 6.286 1.00 23.43 H new ATOM 0 HB3 LYS A 71 5.665 -6.280 4.547 1.00 23.43 H new ATOM 0 HG2 LYS A 71 6.513 -8.651 4.360 1.00 41.24 H new ATOM 0 HG3 LYS A 71 6.548 -8.738 6.110 1.00 41.24 H new ATOM 0 HD2 LYS A 71 4.092 -8.220 6.168 1.00 71.00 H new ATOM 0 HD3 LYS A 71 4.070 -8.185 4.416 1.00 71.00 H new ATOM 0 HE2 LYS A 71 3.291 -10.362 5.161 1.00 74.55 H new ATOM 0 HE3 LYS A 71 4.840 -10.561 4.365 1.00 74.55 H new ATOM 0 HZ1 LYS A 71 4.559 -11.791 6.504 1.00 71.20 H new ATOM 0 HZ2 LYS A 71 5.935 -10.799 6.434 1.00 71.20 H new ATOM 0 HZ3 LYS A 71 4.572 -10.298 7.312 1.00 71.20 H new ATOM 1208 N LEU A 72 8.033 -5.913 2.818 1.00 2.32 N ATOM 1209 CA LEU A 72 8.533 -6.178 1.467 1.00 1.43 C ATOM 1210 C LEU A 72 10.066 -6.061 1.397 1.00 61.33 C ATOM 1211 O LEU A 72 10.739 -6.967 0.909 1.00 52.34 O ATOM 1212 CB LEU A 72 7.882 -5.214 0.462 1.00 11.21 C ATOM 1213 CG LEU A 72 8.365 -5.344 -0.996 1.00 54.45 C ATOM 1214 CD1 LEU A 72 8.097 -6.746 -1.537 1.00 61.54 C ATOM 1215 CD2 LEU A 72 7.701 -4.286 -1.881 1.00 60.13 C ATOM 0 H LEU A 72 7.490 -5.053 2.901 1.00 2.32 H new ATOM 0 HA LEU A 72 8.265 -7.202 1.208 1.00 1.43 H new ATOM 0 HB2 LEU A 72 6.803 -5.369 0.484 1.00 11.21 H new ATOM 0 HB3 LEU A 72 8.064 -4.192 0.796 1.00 11.21 H new ATOM 0 HG LEU A 72 9.442 -5.177 -1.012 1.00 54.45 H new ATOM 0 HD11 LEU A 72 8.447 -6.812 -2.567 1.00 61.54 H new ATOM 0 HD12 LEU A 72 8.625 -7.479 -0.927 1.00 61.54 H new ATOM 0 HD13 LEU A 72 7.027 -6.950 -1.504 1.00 61.54 H new ATOM 0 HD21 LEU A 72 8.055 -4.395 -2.906 1.00 60.13 H new ATOM 0 HD22 LEU A 72 6.619 -4.417 -1.855 1.00 60.13 H new ATOM 0 HD23 LEU A 72 7.955 -3.292 -1.513 1.00 60.13 H new ATOM 1227 N GLN A 73 10.612 -4.947 1.894 1.00 50.02 N ATOM 1228 CA GLN A 73 12.063 -4.698 1.815 1.00 41.42 C ATOM 1229 C GLN A 73 12.879 -5.772 2.556 1.00 71.54 C ATOM 1230 O GLN A 73 13.884 -6.256 2.041 1.00 62.41 O ATOM 1231 CB GLN A 73 12.422 -3.309 2.370 1.00 51.15 C ATOM 1232 CG GLN A 73 11.798 -2.136 1.615 1.00 42.23 C ATOM 1233 CD GLN A 73 11.915 -2.263 0.103 1.00 74.40 C ATOM 1234 OE1 GLN A 73 12.921 -1.895 -0.494 1.00 12.23 O ATOM 1235 NE2 GLN A 73 10.870 -2.760 -0.527 1.00 54.24 N ATOM 0 H GLN A 73 10.081 -4.207 2.352 1.00 50.02 H new ATOM 0 HA GLN A 73 12.323 -4.741 0.757 1.00 41.42 H new ATOM 0 HB2 GLN A 73 12.110 -3.258 3.413 1.00 51.15 H new ATOM 0 HB3 GLN A 73 13.506 -3.197 2.356 1.00 51.15 H new ATOM 0 HG2 GLN A 73 10.745 -2.058 1.886 1.00 42.23 H new ATOM 0 HG3 GLN A 73 12.279 -1.211 1.933 1.00 42.23 H new ATOM 0 HE21 GLN A 73 10.049 -3.056 0.001 1.00 54.24 H new ATOM 0 HE22 GLN A 73 10.882 -2.848 -1.543 1.00 54.24 H new