USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 GLN : amide:sc= 0.349 K(o=1.4,f=-0.26) USER MOD Set 1.2: A 85 GLN : amide:sc= 1.01 K(o=1.4,f=0.26) USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= -0.0278 USER MOD Set 2.2: A 72 MET CE :methyl -112:sc= -0.213 (180deg=-0.688) USER MOD Set 3.1: A 36 GLN : amide:sc= -0.0638 X(o=0.33,f=0.04) USER MOD Set 3.2: A 43 THR OG1 : rot -38:sc= 0.391 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.13 (180deg=1.12) USER MOD Single : A 28 ASN : amide:sc= -0.76 K(o=-0.76,f=-0.068) USER MOD Single : A 50 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.22) USER MOD Single : A 54 ASN : amide:sc= 0.867 K(o=0.87,f=-0.048) USER MOD Single : A 56 GLN : amide:sc= 0.0702 K(o=0.07,f=-4.2!) USER MOD Single : A 61 SER OG : rot 89:sc= 0.0844 USER MOD Single : A 62 MET CE :methyl -171:sc= -0.0725 (180deg=-0.248) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= 0.00456 (180deg=-0.0816) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= -0.0147 (180deg=-0.152) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 68 THR OG1 : rot 170:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00715 USER MOD Single : A 77 GLN : amide:sc= -1.01 X(o=-1,f=-1.1) USER MOD Single : A 80 TYR OH : rot 110:sc= 1.12 USER MOD Single : A 84 GLN : amide:sc= -0.917 K(o=-0.92,f=-1.6) USER MOD Single : A 87 ASN : amide:sc= 0.297 X(o=0.3,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.28) USER MOD Single : A 90 ASN : amide:sc= 1.08 K(o=1.1,f=-0.33) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 279 N VAL A 21 -11.563 4.043 1.792 1.00 62.21 N ATOM 280 CA VAL A 21 -11.425 2.654 2.228 1.00 30.05 C ATOM 281 C VAL A 21 -9.929 2.298 2.261 1.00 32.03 C ATOM 282 O VAL A 21 -9.100 3.067 1.761 1.00 73.03 O ATOM 283 CB VAL A 21 -12.317 1.779 1.319 1.00 3.31 C ATOM 284 CG1 VAL A 21 -11.962 1.941 -0.162 1.00 34.41 C ATOM 285 CG2 VAL A 21 -12.335 0.299 1.693 1.00 61.24 C ATOM 0 HA VAL A 21 -11.778 2.475 3.244 1.00 30.05 H new ATOM 0 HB VAL A 21 -13.326 2.155 1.488 1.00 3.31 H new ATOM 0 HG11 VAL A 21 -12.614 1.308 -0.764 1.00 34.41 H new ATOM 0 HG12 VAL A 21 -12.095 2.982 -0.456 1.00 34.41 H new ATOM 0 HG13 VAL A 21 -10.924 1.649 -0.321 1.00 34.41 H new ATOM 0 HG21 VAL A 21 -12.985 -0.242 1.005 1.00 61.24 H new ATOM 0 HG22 VAL A 21 -11.324 -0.104 1.631 1.00 61.24 H new ATOM 0 HG23 VAL A 21 -12.709 0.185 2.711 1.00 61.24 H new ATOM 295 N LEU A 22 -9.544 1.195 2.904 1.00 24.21 N ATOM 296 CA LEU A 22 -8.173 0.685 2.831 1.00 32.21 C ATOM 297 C LEU A 22 -8.067 -0.291 1.651 1.00 13.43 C ATOM 298 O LEU A 22 -8.992 -1.089 1.468 1.00 63.20 O ATOM 299 CB LEU A 22 -7.829 -0.086 4.118 1.00 54.30 C ATOM 300 CG LEU A 22 -7.611 0.779 5.370 1.00 12.41 C ATOM 301 CD1 LEU A 22 -7.481 -0.132 6.595 1.00 54.13 C ATOM 302 CD2 LEU A 22 -6.340 1.614 5.286 1.00 42.43 C ATOM 0 H LEU A 22 -10.167 0.634 3.485 1.00 24.21 H new ATOM 0 HA LEU A 22 -7.488 1.524 2.706 1.00 32.21 H new ATOM 0 HB2 LEU A 22 -8.632 -0.794 4.322 1.00 54.30 H new ATOM 0 HB3 LEU A 22 -6.926 -0.671 3.940 1.00 54.30 H new ATOM 0 HG LEU A 22 -8.467 1.449 5.447 1.00 12.41 H new ATOM 0 HD11 LEU A 22 -7.326 0.476 7.486 1.00 54.13 H new ATOM 0 HD12 LEU A 22 -8.392 -0.719 6.710 1.00 54.13 H new ATOM 0 HD13 LEU A 22 -6.632 -0.802 6.461 1.00 54.13 H new ATOM 0 HD21 LEU A 22 -6.233 2.206 6.195 1.00 42.43 H new ATOM 0 HD22 LEU A 22 -5.478 0.955 5.179 1.00 42.43 H new ATOM 0 HD23 LEU A 22 -6.398 2.279 4.424 1.00 42.43 H new ATOM 313 N PRO A 23 -6.939 -0.339 0.923 1.00 41.52 N ATOM 314 CA PRO A 23 -6.662 -1.403 -0.040 1.00 5.41 C ATOM 315 C PRO A 23 -6.521 -2.777 0.653 1.00 63.00 C ATOM 316 O PRO A 23 -6.398 -2.848 1.880 1.00 22.33 O ATOM 317 CB PRO A 23 -5.415 -0.958 -0.819 1.00 51.34 C ATOM 318 CG PRO A 23 -4.751 0.066 0.088 1.00 11.31 C ATOM 319 CD PRO A 23 -5.890 0.664 0.904 1.00 45.31 C ATOM 0 HA PRO A 23 -7.488 -1.552 -0.735 1.00 5.41 H new ATOM 0 HB2 PRO A 23 -4.752 -1.799 -1.022 1.00 51.34 H new ATOM 0 HB3 PRO A 23 -5.682 -0.523 -1.782 1.00 51.34 H new ATOM 0 HG2 PRO A 23 -4.006 -0.401 0.732 1.00 11.31 H new ATOM 0 HG3 PRO A 23 -4.236 0.832 -0.492 1.00 11.31 H new ATOM 0 HD2 PRO A 23 -5.561 0.904 1.915 1.00 45.31 H new ATOM 0 HD3 PRO A 23 -6.246 1.592 0.456 1.00 45.31 H new ATOM 324 N PRO A 24 -6.582 -3.881 -0.110 1.00 42.13 N ATOM 325 CA PRO A 24 -6.684 -5.234 0.432 1.00 21.42 C ATOM 326 C PRO A 24 -5.341 -5.780 0.926 1.00 53.14 C ATOM 327 O PRO A 24 -4.278 -5.255 0.601 1.00 21.24 O ATOM 328 CB PRO A 24 -7.191 -6.069 -0.746 1.00 74.40 C ATOM 329 CG PRO A 24 -6.580 -5.363 -1.955 1.00 31.25 C ATOM 330 CD PRO A 24 -6.728 -3.902 -1.560 1.00 3.41 C ATOM 0 HA PRO A 24 -7.339 -5.259 1.303 1.00 21.42 H new ATOM 0 HB2 PRO A 24 -6.863 -7.106 -0.676 1.00 74.40 H new ATOM 0 HB3 PRO A 24 -8.280 -6.081 -0.793 1.00 74.40 H new ATOM 0 HG2 PRO A 24 -5.538 -5.642 -2.110 1.00 31.25 H new ATOM 0 HG3 PRO A 24 -7.112 -5.594 -2.878 1.00 31.25 H new ATOM 0 HD2 PRO A 24 -5.969 -3.285 -2.041 1.00 3.41 H new ATOM 0 HD3 PRO A 24 -7.698 -3.508 -1.864 1.00 3.41 H new ATOM 335 N THR A 25 -5.367 -6.914 1.626 1.00 31.23 N ATOM 336 CA THR A 25 -4.171 -7.602 2.106 1.00 12.24 C ATOM 337 C THR A 25 -4.272 -9.111 1.825 1.00 54.30 C ATOM 338 O THR A 25 -5.385 -9.611 1.617 1.00 4.22 O ATOM 339 CB THR A 25 -3.939 -7.259 3.597 1.00 61.30 C ATOM 340 OG1 THR A 25 -5.127 -7.241 4.380 1.00 70.32 O ATOM 341 CG2 THR A 25 -3.332 -5.859 3.718 1.00 74.21 C ATOM 0 H THR A 25 -6.234 -7.387 1.879 1.00 31.23 H new ATOM 0 HA THR A 25 -3.291 -7.256 1.564 1.00 12.24 H new ATOM 0 HB THR A 25 -3.283 -8.046 3.970 1.00 61.30 H new ATOM 0 HG1 THR A 25 -4.904 -7.020 5.308 1.00 70.32 H new ATOM 0 HG21 THR A 25 -3.171 -5.622 4.770 1.00 74.21 H new ATOM 0 HG22 THR A 25 -2.380 -5.828 3.189 1.00 74.21 H new ATOM 0 HG23 THR A 25 -4.013 -5.128 3.282 1.00 74.21 H new ATOM 349 N PRO A 26 -3.144 -9.851 1.772 1.00 54.50 N ATOM 350 CA PRO A 26 -3.179 -11.296 1.577 1.00 31.11 C ATOM 351 C PRO A 26 -3.776 -11.986 2.809 1.00 70.20 C ATOM 352 O PRO A 26 -3.660 -11.473 3.927 1.00 5.43 O ATOM 353 CB PRO A 26 -1.731 -11.738 1.340 1.00 4.25 C ATOM 354 CG PRO A 26 -0.845 -10.505 1.544 1.00 4.41 C ATOM 355 CD PRO A 26 -1.782 -9.372 1.963 1.00 65.44 C ATOM 0 HA PRO A 26 -3.807 -11.569 0.729 1.00 31.11 H new ATOM 0 HB2 PRO A 26 -1.452 -12.532 2.033 1.00 4.25 H new ATOM 0 HB3 PRO A 26 -1.610 -12.137 0.333 1.00 4.25 H new ATOM 0 HG2 PRO A 26 -0.091 -10.690 2.309 1.00 4.41 H new ATOM 0 HG3 PRO A 26 -0.313 -10.252 0.627 1.00 4.41 H new ATOM 0 HD2 PRO A 26 -1.613 -9.097 3.004 1.00 65.44 H new ATOM 0 HD3 PRO A 26 -1.600 -8.480 1.364 1.00 65.44 H new ATOM 360 N LYS A 27 -4.355 -13.182 2.643 1.00 5.51 N ATOM 361 CA LYS A 27 -4.951 -13.954 3.741 1.00 45.20 C ATOM 362 C LYS A 27 -3.911 -14.650 4.618 1.00 10.14 C ATOM 363 O LYS A 27 -4.032 -15.852 4.870 1.00 50.43 O ATOM 364 CB LYS A 27 -6.038 -14.915 3.230 1.00 52.30 C ATOM 365 CG LYS A 27 -5.533 -15.915 2.178 1.00 24.13 C ATOM 366 CD LYS A 27 -6.419 -17.172 2.123 1.00 4.41 C ATOM 367 CE LYS A 27 -5.800 -18.368 2.865 1.00 64.22 C ATOM 368 NZ LYS A 27 -5.631 -18.150 4.319 1.00 21.33 N ATOM 0 H LYS A 27 -4.424 -13.644 1.736 1.00 5.51 H new ATOM 0 HA LYS A 27 -5.443 -13.235 4.397 1.00 45.20 H new ATOM 0 HB2 LYS A 27 -6.449 -15.467 4.075 1.00 52.30 H new ATOM 0 HB3 LYS A 27 -6.854 -14.332 2.802 1.00 52.30 H new ATOM 0 HG2 LYS A 27 -5.517 -15.437 1.199 1.00 24.13 H new ATOM 0 HG3 LYS A 27 -4.507 -16.202 2.410 1.00 24.13 H new ATOM 0 HD2 LYS A 27 -7.392 -16.945 2.558 1.00 4.41 H new ATOM 0 HD3 LYS A 27 -6.591 -17.445 1.082 1.00 4.41 H new ATOM 0 HE2 LYS A 27 -6.429 -19.244 2.710 1.00 64.22 H new ATOM 0 HE3 LYS A 27 -4.828 -18.592 2.426 1.00 64.22 H new ATOM 0 HZ1 LYS A 27 -5.178 -18.984 4.745 1.00 21.33 H new ATOM 0 HZ2 LYS A 27 -5.034 -17.313 4.478 1.00 21.33 H new ATOM 0 HZ3 LYS A 27 -6.562 -18.000 4.758 1.00 21.33 H new ATOM 378 N ASN A 28 -2.886 -13.923 5.063 1.00 74.33 N ATOM 379 CA ASN A 28 -1.764 -14.465 5.786 1.00 2.55 C ATOM 380 C ASN A 28 -1.442 -13.570 6.969 1.00 2.51 C ATOM 381 O ASN A 28 -1.084 -14.095 8.024 1.00 4.21 O ATOM 382 CB ASN A 28 -0.561 -14.598 4.842 1.00 13.12 C ATOM 383 CG ASN A 28 -0.861 -15.631 3.766 1.00 12.44 C ATOM 384 OD1 ASN A 28 -1.102 -16.797 4.055 1.00 72.01 O ATOM 385 ND2 ASN A 28 -0.942 -15.213 2.517 1.00 72.30 N ATOM 0 H ASN A 28 -2.823 -12.915 4.920 1.00 74.33 H new ATOM 0 HA ASN A 28 -2.009 -15.457 6.167 1.00 2.55 H new ATOM 0 HB2 ASN A 28 -0.340 -13.635 4.382 1.00 13.12 H new ATOM 0 HB3 ASN A 28 0.324 -14.893 5.406 1.00 13.12 H new ATOM 0 HD21 ASN A 28 -1.208 -15.863 1.778 1.00 72.30 H new ATOM 0 HD22 ASN A 28 -0.739 -14.239 2.291 1.00 72.30 H new ATOM 391 N ILE A 29 -1.525 -12.238 6.808 1.00 65.31 N ATOM 392 CA ILE A 29 -1.237 -11.268 7.854 1.00 4.13 C ATOM 393 C ILE A 29 -2.074 -9.992 7.606 1.00 44.24 C ATOM 394 O ILE A 29 -2.490 -9.764 6.466 1.00 1.25 O ATOM 395 CB ILE A 29 0.277 -10.934 7.890 1.00 4.35 C ATOM 396 CG1 ILE A 29 0.795 -10.010 6.776 1.00 31.14 C ATOM 397 CG2 ILE A 29 1.179 -12.163 7.963 1.00 30.23 C ATOM 398 CD1 ILE A 29 0.837 -10.572 5.364 1.00 71.41 C ATOM 0 H ILE A 29 -1.801 -11.807 5.926 1.00 65.31 H new ATOM 0 HA ILE A 29 -1.505 -11.691 8.822 1.00 4.13 H new ATOM 0 HB ILE A 29 0.341 -10.375 8.823 1.00 4.35 H new ATOM 0 HG12 ILE A 29 0.173 -9.115 6.764 1.00 31.14 H new ATOM 0 HG13 ILE A 29 1.803 -9.693 7.043 1.00 31.14 H new ATOM 0 HG21 ILE A 29 2.222 -11.848 7.985 1.00 30.23 H new ATOM 0 HG22 ILE A 29 0.952 -12.728 8.867 1.00 30.23 H new ATOM 0 HG23 ILE A 29 1.008 -12.792 7.089 1.00 30.23 H new ATOM 0 HD11 ILE A 29 1.222 -9.814 4.682 1.00 71.41 H new ATOM 0 HD12 ILE A 29 1.487 -11.446 5.340 1.00 71.41 H new ATOM 0 HD13 ILE A 29 -0.169 -10.859 5.057 1.00 71.41 H new ATOM 409 N PRO A 30 -2.275 -9.134 8.621 1.00 14.44 N ATOM 410 CA PRO A 30 -2.926 -7.826 8.473 1.00 73.31 C ATOM 411 C PRO A 30 -1.983 -6.759 7.885 1.00 44.30 C ATOM 412 O PRO A 30 -0.774 -6.965 7.847 1.00 44.32 O ATOM 413 CB PRO A 30 -3.349 -7.452 9.897 1.00 50.30 C ATOM 414 CG PRO A 30 -2.333 -8.155 10.794 1.00 72.32 C ATOM 415 CD PRO A 30 -1.984 -9.423 10.020 1.00 54.30 C ATOM 0 HA PRO A 30 -3.763 -7.875 7.776 1.00 73.31 H new ATOM 0 HB2 PRO A 30 -3.330 -6.372 10.046 1.00 50.30 H new ATOM 0 HB3 PRO A 30 -4.365 -7.786 10.110 1.00 50.30 H new ATOM 0 HG2 PRO A 30 -1.453 -7.535 10.965 1.00 72.32 H new ATOM 0 HG3 PRO A 30 -2.755 -8.386 11.772 1.00 72.32 H new ATOM 0 HD2 PRO A 30 -0.935 -9.685 10.154 1.00 54.30 H new ATOM 0 HD3 PRO A 30 -2.572 -10.270 10.374 1.00 54.30 H new ATOM 420 N LEU A 31 -2.496 -5.574 7.510 1.00 72.24 N ATOM 421 CA LEU A 31 -1.715 -4.456 6.942 1.00 45.14 C ATOM 422 C LEU A 31 -0.429 -4.149 7.715 1.00 44.10 C ATOM 423 O LEU A 31 0.643 -4.241 7.121 1.00 33.21 O ATOM 424 CB LEU A 31 -2.589 -3.202 6.730 1.00 31.05 C ATOM 425 CG LEU A 31 -1.883 -1.901 6.261 1.00 23.35 C ATOM 426 CD1 LEU A 31 -1.237 -1.052 7.364 1.00 10.24 C ATOM 427 CD2 LEU A 31 -0.869 -2.109 5.127 1.00 61.34 C ATOM 0 H LEU A 31 -3.490 -5.360 7.595 1.00 72.24 H new ATOM 0 HA LEU A 31 -1.381 -4.791 5.960 1.00 45.14 H new ATOM 0 HB2 LEU A 31 -3.358 -3.449 5.998 1.00 31.05 H new ATOM 0 HB3 LEU A 31 -3.100 -2.987 7.668 1.00 31.05 H new ATOM 0 HG LEU A 31 -2.731 -1.333 5.879 1.00 23.35 H new ATOM 0 HD11 LEU A 31 -0.775 -0.170 6.921 1.00 10.24 H new ATOM 0 HD12 LEU A 31 -2.000 -0.742 8.078 1.00 10.24 H new ATOM 0 HD13 LEU A 31 -0.477 -1.640 7.878 1.00 10.24 H new ATOM 0 HD21 LEU A 31 -0.421 -1.152 4.859 1.00 61.34 H new ATOM 0 HD22 LEU A 31 -0.089 -2.795 5.458 1.00 61.34 H new ATOM 0 HD23 LEU A 31 -1.376 -2.528 4.258 1.00 61.34 H new ATOM 438 N PRO A 32 -0.450 -3.814 9.014 1.00 4.25 N ATOM 439 CA PRO A 32 0.781 -3.459 9.709 1.00 2.24 C ATOM 440 C PRO A 32 1.730 -4.652 9.884 1.00 32.24 C ATOM 441 O PRO A 32 2.883 -4.452 10.266 1.00 62.44 O ATOM 442 CB PRO A 32 0.344 -2.839 11.033 1.00 73.02 C ATOM 443 CG PRO A 32 -1.033 -3.450 11.279 1.00 70.30 C ATOM 444 CD PRO A 32 -1.600 -3.649 9.883 1.00 54.24 C ATOM 0 HA PRO A 32 1.371 -2.751 9.127 1.00 2.24 H new ATOM 0 HB2 PRO A 32 1.039 -3.080 11.837 1.00 73.02 H new ATOM 0 HB3 PRO A 32 0.295 -1.752 10.970 1.00 73.02 H new ATOM 0 HG2 PRO A 32 -0.960 -4.394 11.819 1.00 70.30 H new ATOM 0 HG3 PRO A 32 -1.662 -2.789 11.875 1.00 70.30 H new ATOM 0 HD2 PRO A 32 -2.249 -4.524 9.845 1.00 54.24 H new ATOM 0 HD3 PRO A 32 -2.202 -2.792 9.579 1.00 54.24 H new ATOM 449 N ALA A 33 1.314 -5.876 9.546 1.00 22.33 N ATOM 450 CA ALA A 33 2.180 -7.033 9.458 1.00 23.04 C ATOM 451 C ALA A 33 2.573 -7.326 8.010 1.00 3.55 C ATOM 452 O ALA A 33 3.591 -7.983 7.822 1.00 21.01 O ATOM 453 CB ALA A 33 1.484 -8.232 10.035 1.00 74.04 C ATOM 0 H ALA A 33 0.341 -6.084 9.323 1.00 22.33 H new ATOM 0 HA ALA A 33 3.086 -6.818 10.024 1.00 23.04 H new ATOM 0 HB1 ALA A 33 2.139 -9.101 9.967 1.00 74.04 H new ATOM 0 HB2 ALA A 33 1.240 -8.043 11.080 1.00 74.04 H new ATOM 0 HB3 ALA A 33 0.567 -8.424 9.477 1.00 74.04 H new ATOM 459 N PHE A 34 1.876 -6.771 7.022 1.00 22.03 N ATOM 460 CA PHE A 34 2.171 -6.874 5.604 1.00 72.00 C ATOM 461 C PHE A 34 3.263 -5.884 5.148 1.00 11.14 C ATOM 462 O PHE A 34 3.481 -5.730 3.950 1.00 23.33 O ATOM 463 CB PHE A 34 0.860 -6.711 4.803 1.00 33.23 C ATOM 464 CG PHE A 34 0.966 -6.892 3.296 1.00 62.31 C ATOM 465 CD1 PHE A 34 1.752 -7.924 2.741 1.00 44.22 C ATOM 466 CD2 PHE A 34 0.337 -5.967 2.439 1.00 2.35 C ATOM 467 CE1 PHE A 34 1.933 -8.001 1.352 1.00 33.15 C ATOM 468 CE2 PHE A 34 0.521 -6.046 1.049 1.00 32.32 C ATOM 469 CZ PHE A 34 1.332 -7.055 0.507 1.00 50.52 C ATOM 0 H PHE A 34 1.046 -6.207 7.204 1.00 22.03 H new ATOM 0 HA PHE A 34 2.587 -7.862 5.408 1.00 72.00 H new ATOM 0 HB2 PHE A 34 0.134 -7.429 5.184 1.00 33.23 H new ATOM 0 HB3 PHE A 34 0.459 -5.717 5.001 1.00 33.23 H new ATOM 0 HD1 PHE A 34 2.215 -8.656 3.386 1.00 44.22 H new ATOM 0 HD2 PHE A 34 -0.291 -5.192 2.854 1.00 2.35 H new ATOM 0 HE1 PHE A 34 2.537 -8.791 0.931 1.00 33.15 H new ATOM 0 HE2 PHE A 34 0.039 -5.331 0.398 1.00 32.32 H new ATOM 0 HZ PHE A 34 1.494 -7.104 -0.560 1.00 50.52 H new ATOM 478 N GLY A 35 3.966 -5.186 6.049 1.00 54.35 N ATOM 479 CA GLY A 35 4.879 -4.110 5.670 1.00 11.12 C ATOM 480 C GLY A 35 6.175 -4.149 6.462 1.00 22.04 C ATOM 481 O GLY A 35 7.229 -4.487 5.931 1.00 63.35 O ATOM 0 H GLY A 35 3.916 -5.353 7.054 1.00 54.35 H new ATOM 0 HA2 GLY A 35 5.103 -4.185 4.606 1.00 11.12 H new ATOM 0 HA3 GLY A 35 4.389 -3.149 5.826 1.00 11.12 H new ATOM 485 N GLN A 36 6.084 -3.808 7.743 1.00 22.20 N ATOM 486 CA GLN A 36 7.150 -3.807 8.739 1.00 32.31 C ATOM 487 C GLN A 36 8.013 -5.087 8.675 1.00 31.32 C ATOM 488 O GLN A 36 9.236 -4.987 8.731 1.00 61.24 O ATOM 489 CB GLN A 36 6.523 -3.571 10.151 1.00 70.13 C ATOM 490 CG GLN A 36 5.533 -2.391 10.208 1.00 44.02 C ATOM 491 CD GLN A 36 4.907 -2.183 11.593 1.00 30.51 C ATOM 492 OE1 GLN A 36 5.508 -2.457 12.635 1.00 5.40 O ATOM 493 NE2 GLN A 36 3.674 -1.706 11.630 1.00 13.24 N ATOM 0 H GLN A 36 5.197 -3.502 8.142 1.00 22.20 H new ATOM 0 HA GLN A 36 7.840 -2.991 8.523 1.00 32.31 H new ATOM 0 HB2 GLN A 36 6.008 -4.479 10.465 1.00 70.13 H new ATOM 0 HB3 GLN A 36 7.325 -3.394 10.868 1.00 70.13 H new ATOM 0 HG2 GLN A 36 6.050 -1.479 9.911 1.00 44.02 H new ATOM 0 HG3 GLN A 36 4.739 -2.558 9.481 1.00 44.02 H new ATOM 0 HE21 GLN A 36 3.187 -1.483 10.762 1.00 13.24 H new ATOM 0 HE22 GLN A 36 3.210 -1.561 12.527 1.00 13.24 H new ATOM 500 N ARG A 37 7.405 -6.274 8.512 1.00 43.03 N ATOM 501 CA ARG A 37 8.085 -7.571 8.537 1.00 21.13 C ATOM 502 C ARG A 37 8.077 -8.267 7.167 1.00 45.23 C ATOM 503 O ARG A 37 8.339 -9.463 7.093 1.00 10.12 O ATOM 504 CB ARG A 37 7.446 -8.454 9.635 1.00 25.10 C ATOM 505 CG ARG A 37 7.300 -7.714 10.978 1.00 65.13 C ATOM 506 CD ARG A 37 6.968 -8.641 12.157 1.00 11.00 C ATOM 507 NE ARG A 37 6.107 -7.961 13.138 1.00 31.20 N ATOM 508 CZ ARG A 37 5.621 -8.471 14.276 1.00 62.55 C ATOM 509 NH1 ARG A 37 5.961 -9.674 14.721 1.00 2.04 N ATOM 510 NH2 ARG A 37 4.776 -7.740 14.991 1.00 41.45 N ATOM 0 H ARG A 37 6.400 -6.355 8.355 1.00 43.03 H new ATOM 0 HA ARG A 37 9.136 -7.406 8.774 1.00 21.13 H new ATOM 0 HB2 ARG A 37 6.464 -8.790 9.301 1.00 25.10 H new ATOM 0 HB3 ARG A 37 8.056 -9.346 9.780 1.00 25.10 H new ATOM 0 HG2 ARG A 37 8.227 -7.183 11.194 1.00 65.13 H new ATOM 0 HG3 ARG A 37 6.516 -6.962 10.886 1.00 65.13 H new ATOM 0 HD2 ARG A 37 6.469 -9.538 11.790 1.00 11.00 H new ATOM 0 HD3 ARG A 37 7.890 -8.965 12.640 1.00 11.00 H new ATOM 0 HE ARG A 37 5.853 -6.996 12.928 1.00 31.20 H new ATOM 0 HH11 ARG A 37 6.616 -10.248 14.190 1.00 2.04 H new ATOM 0 HH12 ARG A 37 5.567 -10.025 15.594 1.00 2.04 H new ATOM 0 HH21 ARG A 37 4.509 -6.809 14.670 1.00 41.45 H new ATOM 0 HH22 ARG A 37 4.393 -8.109 15.862 1.00 41.45 H new ATOM 521 N ILE A 38 7.721 -7.554 6.091 1.00 13.54 N ATOM 522 CA ILE A 38 7.521 -8.130 4.754 1.00 11.43 C ATOM 523 C ILE A 38 8.233 -7.268 3.704 1.00 54.21 C ATOM 524 O ILE A 38 9.066 -7.758 2.938 1.00 11.42 O ATOM 525 CB ILE A 38 6.008 -8.300 4.466 1.00 4.24 C ATOM 526 CG1 ILE A 38 5.300 -9.259 5.451 1.00 5.53 C ATOM 527 CG2 ILE A 38 5.734 -8.742 3.019 1.00 24.30 C ATOM 528 CD1 ILE A 38 5.681 -10.737 5.343 1.00 50.12 C ATOM 0 H ILE A 38 7.561 -6.547 6.124 1.00 13.54 H new ATOM 0 HA ILE A 38 7.964 -9.125 4.708 1.00 11.43 H new ATOM 0 HB ILE A 38 5.584 -7.307 4.613 1.00 4.24 H new ATOM 0 HG12 ILE A 38 5.510 -8.924 6.467 1.00 5.53 H new ATOM 0 HG13 ILE A 38 4.224 -9.170 5.302 1.00 5.53 H new ATOM 0 HG21 ILE A 38 4.660 -8.847 2.868 1.00 24.30 H new ATOM 0 HG22 ILE A 38 6.126 -7.994 2.330 1.00 24.30 H new ATOM 0 HG23 ILE A 38 6.222 -9.699 2.832 1.00 24.30 H new ATOM 0 HD11 ILE A 38 5.122 -11.312 6.082 1.00 50.12 H new ATOM 0 HD12 ILE A 38 5.443 -11.102 4.344 1.00 50.12 H new ATOM 0 HD13 ILE A 38 6.749 -10.852 5.526 1.00 50.12 H new ATOM 539 N ILE A 39 7.883 -5.985 3.667 1.00 52.52 N ATOM 540 CA ILE A 39 8.400 -4.951 2.772 1.00 32.42 C ATOM 541 C ILE A 39 9.661 -4.311 3.392 1.00 44.55 C ATOM 542 O ILE A 39 10.305 -3.466 2.774 1.00 10.31 O ATOM 543 CB ILE A 39 7.253 -3.931 2.514 1.00 32.34 C ATOM 544 CG1 ILE A 39 5.934 -4.597 2.042 1.00 45.32 C ATOM 545 CG2 ILE A 39 7.618 -2.843 1.501 1.00 1.21 C ATOM 546 CD1 ILE A 39 6.000 -5.344 0.707 1.00 63.44 C ATOM 0 H ILE A 39 7.181 -5.613 4.307 1.00 52.52 H new ATOM 0 HA ILE A 39 8.710 -5.362 1.811 1.00 32.42 H new ATOM 0 HB ILE A 39 7.100 -3.474 3.492 1.00 32.34 H new ATOM 0 HG12 ILE A 39 5.608 -5.297 2.812 1.00 45.32 H new ATOM 0 HG13 ILE A 39 5.167 -3.826 1.967 1.00 45.32 H new ATOM 0 HG21 ILE A 39 6.772 -2.168 1.371 1.00 1.21 H new ATOM 0 HG22 ILE A 39 8.478 -2.281 1.865 1.00 1.21 H new ATOM 0 HG23 ILE A 39 7.865 -3.304 0.545 1.00 1.21 H new ATOM 0 HD11 ILE A 39 5.022 -5.768 0.479 1.00 63.44 H new ATOM 0 HD12 ILE A 39 6.289 -4.651 -0.084 1.00 63.44 H new ATOM 0 HD13 ILE A 39 6.736 -6.145 0.774 1.00 63.44 H new ATOM 557 N GLY A 40 10.001 -4.662 4.639 1.00 73.35 N ATOM 558 CA GLY A 40 11.190 -4.206 5.346 1.00 63.01 C ATOM 559 C GLY A 40 11.209 -2.708 5.649 1.00 13.54 C ATOM 560 O GLY A 40 12.181 -2.235 6.232 1.00 71.14 O ATOM 0 H GLY A 40 9.430 -5.295 5.198 1.00 73.35 H new ATOM 0 HA2 GLY A 40 11.273 -4.755 6.284 1.00 63.01 H new ATOM 0 HA3 GLY A 40 12.069 -4.455 4.752 1.00 63.01 H new ATOM 564 N TRP A 41 10.146 -1.967 5.313 1.00 54.14 N ATOM 565 CA TRP A 41 10.044 -0.506 5.274 1.00 52.55 C ATOM 566 C TRP A 41 10.003 0.178 6.651 1.00 32.24 C ATOM 567 O TRP A 41 9.386 1.235 6.817 1.00 44.42 O ATOM 568 CB TRP A 41 8.816 -0.146 4.421 1.00 13.13 C ATOM 569 CG TRP A 41 7.443 -0.419 4.968 1.00 11.13 C ATOM 570 CD1 TRP A 41 7.141 -0.847 6.216 1.00 63.45 C ATOM 571 CD2 TRP A 41 6.163 -0.282 4.279 1.00 53.25 C ATOM 572 NE1 TRP A 41 5.781 -0.929 6.363 1.00 34.21 N ATOM 573 CE2 TRP A 41 5.123 -0.658 5.180 1.00 21.04 C ATOM 574 CE3 TRP A 41 5.777 0.094 2.973 1.00 73.33 C ATOM 575 CZ2 TRP A 41 3.778 -0.724 4.788 1.00 74.12 C ATOM 576 CZ3 TRP A 41 4.433 0.005 2.560 1.00 23.34 C ATOM 577 CH2 TRP A 41 3.439 -0.424 3.458 1.00 11.22 C ATOM 0 H TRP A 41 9.268 -2.409 5.041 1.00 54.14 H new ATOM 0 HA TRP A 41 10.961 -0.120 4.828 1.00 52.55 H new ATOM 0 HB2 TRP A 41 8.874 0.918 4.194 1.00 13.13 H new ATOM 0 HB3 TRP A 41 8.905 -0.679 3.475 1.00 13.13 H new ATOM 0 HD1 TRP A 41 7.864 -1.088 6.982 1.00 63.45 H new ATOM 0 HE1 TRP A 41 5.313 -1.162 7.239 1.00 34.21 H new ATOM 0 HE3 TRP A 41 6.523 0.455 2.281 1.00 73.33 H new ATOM 0 HZ2 TRP A 41 3.014 -1.002 5.499 1.00 74.12 H new ATOM 0 HZ3 TRP A 41 4.164 0.268 1.548 1.00 23.34 H new ATOM 0 HH2 TRP A 41 2.416 -0.523 3.125 1.00 11.22 H new ATOM 587 N GLY A 42 10.555 -0.459 7.677 1.00 13.03 N ATOM 588 CA GLY A 42 10.553 0.003 9.046 1.00 43.02 C ATOM 589 C GLY A 42 9.128 -0.030 9.534 1.00 24.41 C ATOM 590 O GLY A 42 8.597 -1.111 9.779 1.00 31.42 O ATOM 0 H GLY A 42 11.036 -1.351 7.564 1.00 13.03 H new ATOM 0 HA2 GLY A 42 11.185 -0.633 9.666 1.00 43.02 H new ATOM 0 HA3 GLY A 42 10.957 1.013 9.110 1.00 43.02 H new ATOM 594 N THR A 43 8.488 1.132 9.614 1.00 73.41 N ATOM 595 CA THR A 43 7.060 1.242 9.899 1.00 22.20 C ATOM 596 C THR A 43 6.558 2.649 9.564 1.00 33.14 C ATOM 597 O THR A 43 5.651 3.168 10.212 1.00 74.25 O ATOM 598 CB THR A 43 6.778 0.767 11.347 1.00 14.13 C ATOM 599 OG1 THR A 43 5.409 0.798 11.690 1.00 31.42 O ATOM 600 CG2 THR A 43 7.604 1.486 12.398 1.00 32.40 C ATOM 0 H THR A 43 8.949 2.032 9.482 1.00 73.41 H new ATOM 0 HA THR A 43 6.482 0.578 9.256 1.00 22.20 H new ATOM 0 HB THR A 43 7.095 -0.276 11.346 1.00 14.13 H new ATOM 0 HG1 THR A 43 4.990 1.589 11.292 1.00 31.42 H new ATOM 0 HG21 THR A 43 7.352 1.100 13.386 1.00 32.40 H new ATOM 0 HG22 THR A 43 8.664 1.321 12.204 1.00 32.40 H new ATOM 0 HG23 THR A 43 7.391 2.554 12.360 1.00 32.40 H new ATOM 608 N GLY A 44 7.116 3.319 8.558 1.00 54.14 N ATOM 609 CA GLY A 44 6.800 4.728 8.395 1.00 61.43 C ATOM 610 C GLY A 44 7.648 5.378 7.330 1.00 41.24 C ATOM 611 O GLY A 44 8.132 4.698 6.429 1.00 54.31 O ATOM 0 H GLY A 44 7.761 2.927 7.872 1.00 54.14 H new ATOM 0 HA2 GLY A 44 5.747 4.836 8.136 1.00 61.43 H new ATOM 0 HA3 GLY A 44 6.949 5.245 9.343 1.00 61.43 H new ATOM 615 N ALA A 45 7.762 6.697 7.428 1.00 2.14 N ATOM 616 CA ALA A 45 8.392 7.550 6.430 1.00 62.41 C ATOM 617 C ALA A 45 9.867 7.188 6.290 1.00 31.14 C ATOM 618 O ALA A 45 10.301 6.749 5.233 1.00 33.31 O ATOM 619 CB ALA A 45 8.197 9.022 6.814 1.00 34.10 C ATOM 0 H ALA A 45 7.407 7.218 8.230 1.00 2.14 H new ATOM 0 HA ALA A 45 7.923 7.393 5.459 1.00 62.41 H new ATOM 0 HB1 ALA A 45 8.669 9.659 6.066 1.00 34.10 H new ATOM 0 HB2 ALA A 45 7.132 9.247 6.862 1.00 34.10 H new ATOM 0 HB3 ALA A 45 8.651 9.207 7.787 1.00 34.10 H new ATOM 625 N GLU A 46 10.635 7.347 7.367 1.00 42.21 N ATOM 626 CA GLU A 46 12.050 7.079 7.439 1.00 24.54 C ATOM 627 C GLU A 46 12.344 5.629 7.050 1.00 32.52 C ATOM 628 O GLU A 46 13.190 5.379 6.200 1.00 71.43 O ATOM 629 CB GLU A 46 12.392 7.414 8.890 1.00 21.30 C ATOM 630 CG GLU A 46 13.844 7.757 9.145 1.00 30.13 C ATOM 631 CD GLU A 46 14.771 6.548 9.235 1.00 53.42 C ATOM 632 OE1 GLU A 46 14.491 5.639 10.056 1.00 71.13 O ATOM 633 OE2 GLU A 46 15.796 6.543 8.519 1.00 30.33 O ATOM 0 H GLU A 46 10.257 7.684 8.252 1.00 42.21 H new ATOM 0 HA GLU A 46 12.657 7.662 6.746 1.00 24.54 H new ATOM 0 HB2 GLU A 46 11.775 8.255 9.208 1.00 21.30 H new ATOM 0 HB3 GLU A 46 12.120 6.564 9.516 1.00 21.30 H new ATOM 0 HG2 GLU A 46 14.196 8.411 8.347 1.00 30.13 H new ATOM 0 HG3 GLU A 46 13.913 8.323 10.074 1.00 30.13 H new ATOM 638 N GLY A 47 11.587 4.680 7.604 1.00 5.11 N ATOM 639 CA GLY A 47 11.710 3.271 7.274 1.00 2.14 C ATOM 640 C GLY A 47 11.554 3.012 5.776 1.00 31.03 C ATOM 641 O GLY A 47 12.395 2.365 5.153 1.00 2.34 O ATOM 0 H GLY A 47 10.867 4.876 8.299 1.00 5.11 H new ATOM 0 HA2 GLY A 47 12.682 2.906 7.605 1.00 2.14 H new ATOM 0 HA3 GLY A 47 10.955 2.705 7.819 1.00 2.14 H new ATOM 645 N ALA A 48 10.476 3.527 5.181 1.00 31.20 N ATOM 646 CA ALA A 48 10.210 3.352 3.765 1.00 4.51 C ATOM 647 C ALA A 48 11.188 4.149 2.903 1.00 41.14 C ATOM 648 O ALA A 48 11.289 3.871 1.712 1.00 25.44 O ATOM 649 CB ALA A 48 8.754 3.724 3.456 1.00 43.13 C ATOM 0 H ALA A 48 9.769 4.074 5.672 1.00 31.20 H new ATOM 0 HA ALA A 48 10.359 2.301 3.516 1.00 4.51 H new ATOM 0 HB1 ALA A 48 8.562 3.590 2.391 1.00 43.13 H new ATOM 0 HB2 ALA A 48 8.085 3.082 4.029 1.00 43.13 H new ATOM 0 HB3 ALA A 48 8.579 4.765 3.728 1.00 43.13 H new ATOM 655 N ARG A 49 11.924 5.122 3.445 1.00 71.35 N ATOM 656 CA ARG A 49 12.982 5.789 2.710 1.00 32.33 C ATOM 657 C ARG A 49 14.201 4.873 2.710 1.00 25.03 C ATOM 658 O ARG A 49 14.830 4.716 1.667 1.00 23.24 O ATOM 659 CB ARG A 49 13.199 7.164 3.361 1.00 51.14 C ATOM 660 CG ARG A 49 14.244 8.062 2.686 1.00 31.33 C ATOM 661 CD ARG A 49 15.638 7.811 3.261 1.00 70.12 C ATOM 662 NE ARG A 49 16.481 9.014 3.195 1.00 51.14 N ATOM 663 CZ ARG A 49 17.807 9.054 3.040 1.00 43.12 C ATOM 664 NH1 ARG A 49 18.499 7.954 2.776 1.00 25.00 N ATOM 665 NH2 ARG A 49 18.443 10.215 3.133 1.00 14.33 N ATOM 0 H ARG A 49 11.799 5.462 4.399 1.00 71.35 H new ATOM 0 HA ARG A 49 12.744 5.976 1.663 1.00 32.33 H new ATOM 0 HB2 ARG A 49 12.246 7.693 3.375 1.00 51.14 H new ATOM 0 HB3 ARG A 49 13.494 7.012 4.399 1.00 51.14 H new ATOM 0 HG2 ARG A 49 14.251 7.874 1.612 1.00 31.33 H new ATOM 0 HG3 ARG A 49 13.973 9.109 2.825 1.00 31.33 H new ATOM 0 HD2 ARG A 49 15.550 7.485 4.297 1.00 70.12 H new ATOM 0 HD3 ARG A 49 16.117 7.001 2.712 1.00 70.12 H new ATOM 0 HE ARG A 49 16.003 9.912 3.276 1.00 51.14 H new ATOM 0 HH11 ARG A 49 18.019 7.058 2.688 1.00 25.00 H new ATOM 0 HH12 ARG A 49 19.511 8.004 2.661 1.00 25.00 H new ATOM 0 HH21 ARG A 49 17.919 11.070 3.322 1.00 14.33 H new ATOM 0 HH22 ARG A 49 19.456 10.253 3.016 1.00 14.33 H new ATOM 676 N GLN A 50 14.508 4.247 3.849 1.00 32.22 N ATOM 677 CA GLN A 50 15.727 3.494 4.059 1.00 43.52 C ATOM 678 C GLN A 50 15.755 2.181 3.298 1.00 10.23 C ATOM 679 O GLN A 50 16.856 1.727 2.998 1.00 51.52 O ATOM 680 CB GLN A 50 15.922 3.202 5.558 1.00 41.41 C ATOM 681 CG GLN A 50 16.433 4.412 6.342 1.00 54.05 C ATOM 682 CD GLN A 50 17.782 4.879 5.815 1.00 41.32 C ATOM 683 OE1 GLN A 50 18.726 4.102 5.694 1.00 51.31 O ATOM 684 NE2 GLN A 50 17.895 6.138 5.439 1.00 2.10 N ATOM 0 H GLN A 50 13.895 4.256 4.664 1.00 32.22 H new ATOM 0 HA GLN A 50 16.537 4.116 3.678 1.00 43.52 H new ATOM 0 HB2 GLN A 50 14.974 2.874 5.985 1.00 41.41 H new ATOM 0 HB3 GLN A 50 16.626 2.378 5.673 1.00 41.41 H new ATOM 0 HG2 GLN A 50 15.711 5.225 6.272 1.00 54.05 H new ATOM 0 HG3 GLN A 50 16.521 4.154 7.397 1.00 54.05 H new ATOM 0 HE21 GLN A 50 17.105 6.774 5.544 1.00 2.10 H new ATOM 0 HE22 GLN A 50 18.772 6.475 5.043 1.00 2.10 H new ATOM 691 N ARG A 51 14.616 1.559 2.976 1.00 51.24 N ATOM 692 CA ARG A 51 14.639 0.283 2.259 1.00 24.22 C ATOM 693 C ARG A 51 14.548 0.500 0.750 1.00 33.03 C ATOM 694 O ARG A 51 15.190 -0.199 -0.022 1.00 70.05 O ATOM 695 CB ARG A 51 13.541 -0.629 2.849 1.00 34.30 C ATOM 696 CG ARG A 51 13.739 -2.146 2.684 1.00 50.12 C ATOM 697 CD ARG A 51 15.084 -2.627 3.242 1.00 45.13 C ATOM 698 NE ARG A 51 15.010 -3.963 3.860 1.00 42.23 N ATOM 699 CZ ARG A 51 15.921 -4.455 4.710 1.00 63.31 C ATOM 700 NH1 ARG A 51 17.040 -3.775 4.952 1.00 31.50 N ATOM 701 NH2 ARG A 51 15.702 -5.606 5.343 1.00 61.15 N ATOM 0 H ARG A 51 13.684 1.911 3.196 1.00 51.24 H new ATOM 0 HA ARG A 51 15.591 -0.229 2.400 1.00 24.22 H new ATOM 0 HB2 ARG A 51 13.454 -0.411 3.913 1.00 34.30 H new ATOM 0 HB3 ARG A 51 12.591 -0.358 2.389 1.00 34.30 H new ATOM 0 HG2 ARG A 51 12.930 -2.672 3.191 1.00 50.12 H new ATOM 0 HG3 ARG A 51 13.674 -2.405 1.627 1.00 50.12 H new ATOM 0 HD2 ARG A 51 15.818 -2.646 2.437 1.00 45.13 H new ATOM 0 HD3 ARG A 51 15.441 -1.910 3.982 1.00 45.13 H new ATOM 0 HE ARG A 51 14.212 -4.553 3.625 1.00 42.23 H new ATOM 0 HH11 ARG A 51 17.203 -2.880 4.490 1.00 31.50 H new ATOM 0 HH12 ARG A 51 17.734 -4.149 5.599 1.00 31.50 H new ATOM 0 HH21 ARG A 51 14.836 -6.120 5.182 1.00 61.15 H new ATOM 0 HH22 ARG A 51 16.401 -5.974 5.989 1.00 61.15 H new ATOM 712 N LEU A 52 13.791 1.517 0.345 1.00 14.33 N ATOM 713 CA LEU A 52 13.489 1.908 -1.026 1.00 12.11 C ATOM 714 C LEU A 52 14.732 2.198 -1.855 1.00 30.32 C ATOM 715 O LEU A 52 14.958 1.554 -2.877 1.00 44.45 O ATOM 716 CB LEU A 52 12.611 3.155 -0.917 1.00 31.03 C ATOM 717 CG LEU A 52 12.381 4.029 -2.162 1.00 1.10 C ATOM 718 CD1 LEU A 52 12.119 3.274 -3.469 1.00 60.04 C ATOM 719 CD2 LEU A 52 11.210 4.956 -1.814 1.00 1.11 C ATOM 0 H LEU A 52 13.339 2.135 1.019 1.00 14.33 H new ATOM 0 HA LEU A 52 12.990 1.089 -1.545 1.00 12.11 H new ATOM 0 HB2 LEU A 52 11.633 2.836 -0.556 1.00 31.03 H new ATOM 0 HB3 LEU A 52 13.043 3.792 -0.145 1.00 31.03 H new ATOM 0 HG LEU A 52 13.305 4.566 -2.377 1.00 1.10 H new ATOM 0 HD11 LEU A 52 11.971 3.989 -4.279 1.00 60.04 H new ATOM 0 HD12 LEU A 52 12.973 2.637 -3.699 1.00 60.04 H new ATOM 0 HD13 LEU A 52 11.226 2.658 -3.361 1.00 60.04 H new ATOM 0 HD21 LEU A 52 10.996 5.606 -2.662 1.00 1.11 H new ATOM 0 HD22 LEU A 52 10.328 4.358 -1.584 1.00 1.11 H new ATOM 0 HD23 LEU A 52 11.472 5.564 -0.948 1.00 1.11 H new ATOM 730 N GLU A 53 15.499 3.221 -1.476 1.00 41.41 N ATOM 731 CA GLU A 53 16.448 3.851 -2.399 1.00 53.34 C ATOM 732 C GLU A 53 17.663 2.963 -2.716 1.00 60.45 C ATOM 733 O GLU A 53 18.527 3.350 -3.503 1.00 52.11 O ATOM 734 CB GLU A 53 16.856 5.234 -1.868 1.00 74.25 C ATOM 735 CG GLU A 53 15.638 6.152 -1.649 1.00 44.13 C ATOM 736 CD GLU A 53 15.984 7.644 -1.578 1.00 31.32 C ATOM 737 OE1 GLU A 53 16.972 8.012 -0.907 1.00 23.24 O ATOM 738 OE2 GLU A 53 15.233 8.469 -2.159 1.00 23.00 O ATOM 0 H GLU A 53 15.483 3.630 -0.542 1.00 41.41 H new ATOM 0 HA GLU A 53 15.941 3.984 -3.355 1.00 53.34 H new ATOM 0 HB2 GLU A 53 17.395 5.117 -0.928 1.00 74.25 H new ATOM 0 HB3 GLU A 53 17.542 5.704 -2.572 1.00 74.25 H new ATOM 0 HG2 GLU A 53 14.926 5.993 -2.459 1.00 44.13 H new ATOM 0 HG3 GLU A 53 15.139 5.861 -0.725 1.00 44.13 H new ATOM 743 N ASN A 54 17.707 1.763 -2.136 1.00 13.50 N ATOM 744 CA ASN A 54 18.741 0.742 -2.225 1.00 35.23 C ATOM 745 C ASN A 54 18.110 -0.658 -2.299 1.00 42.22 C ATOM 746 O ASN A 54 18.797 -1.652 -2.038 1.00 75.32 O ATOM 747 CB ASN A 54 19.672 0.857 -1.007 1.00 4.24 C ATOM 748 CG ASN A 54 18.888 0.815 0.297 1.00 45.52 C ATOM 749 OD1 ASN A 54 18.780 -0.231 0.930 1.00 73.41 O ATOM 750 ND2 ASN A 54 18.316 1.942 0.688 1.00 74.43 N ATOM 0 H ASN A 54 16.943 1.456 -1.534 1.00 13.50 H new ATOM 0 HA ASN A 54 19.323 0.894 -3.134 1.00 35.23 H new ATOM 0 HB2 ASN A 54 20.397 0.044 -1.024 1.00 4.24 H new ATOM 0 HB3 ASN A 54 20.236 1.788 -1.065 1.00 4.24 H new ATOM 0 HD21 ASN A 54 17.761 1.962 1.544 1.00 74.43 H new ATOM 0 HD22 ASN A 54 18.430 2.791 0.134 1.00 74.43 H new ATOM 756 N ILE A 55 16.821 -0.760 -2.641 1.00 21.40 N ATOM 757 CA ILE A 55 16.116 -2.032 -2.724 1.00 75.22 C ATOM 758 C ILE A 55 16.811 -2.925 -3.768 1.00 15.52 C ATOM 759 O ILE A 55 17.420 -2.421 -4.719 1.00 51.55 O ATOM 760 CB ILE A 55 14.621 -1.765 -3.013 1.00 51.44 C ATOM 761 CG1 ILE A 55 13.717 -2.899 -2.510 1.00 52.52 C ATOM 762 CG2 ILE A 55 14.356 -1.504 -4.500 1.00 2.13 C ATOM 763 CD1 ILE A 55 13.485 -2.792 -1.002 1.00 4.52 C ATOM 0 H ILE A 55 16.239 0.046 -2.868 1.00 21.40 H new ATOM 0 HA ILE A 55 16.153 -2.576 -1.780 1.00 75.22 H new ATOM 0 HB ILE A 55 14.371 -0.861 -2.458 1.00 51.44 H new ATOM 0 HG12 ILE A 55 12.760 -2.864 -3.031 1.00 52.52 H new ATOM 0 HG13 ILE A 55 14.172 -3.862 -2.743 1.00 52.52 H new ATOM 0 HG21 ILE A 55 13.292 -1.322 -4.654 1.00 2.13 H new ATOM 0 HG22 ILE A 55 14.924 -0.632 -4.823 1.00 2.13 H new ATOM 0 HG23 ILE A 55 14.663 -2.373 -5.082 1.00 2.13 H new ATOM 0 HD11 ILE A 55 12.841 -3.608 -0.674 1.00 4.52 H new ATOM 0 HD12 ILE A 55 14.441 -2.852 -0.482 1.00 4.52 H new ATOM 0 HD13 ILE A 55 13.007 -1.839 -0.774 1.00 4.52 H new ATOM 774 N GLN A 56 16.715 -4.243 -3.621 1.00 23.03 N ATOM 775 CA GLN A 56 17.445 -5.212 -4.431 1.00 3.21 C ATOM 776 C GLN A 56 16.418 -6.152 -5.071 1.00 41.42 C ATOM 777 O GLN A 56 15.306 -6.248 -4.548 1.00 15.22 O ATOM 778 CB GLN A 56 18.414 -6.040 -3.568 1.00 62.02 C ATOM 779 CG GLN A 56 19.052 -5.317 -2.378 1.00 75.12 C ATOM 780 CD GLN A 56 18.114 -5.331 -1.190 1.00 73.41 C ATOM 781 OE1 GLN A 56 17.663 -6.399 -0.785 1.00 45.22 O ATOM 782 NE2 GLN A 56 17.758 -4.181 -0.652 1.00 74.32 N ATOM 0 H GLN A 56 16.114 -4.676 -2.920 1.00 23.03 H new ATOM 0 HA GLN A 56 18.030 -4.686 -5.185 1.00 3.21 H new ATOM 0 HB2 GLN A 56 17.877 -6.911 -3.191 1.00 62.02 H new ATOM 0 HB3 GLN A 56 19.212 -6.411 -4.211 1.00 62.02 H new ATOM 0 HG2 GLN A 56 19.993 -5.799 -2.113 1.00 75.12 H new ATOM 0 HG3 GLN A 56 19.287 -4.289 -2.652 1.00 75.12 H new ATOM 0 HE21 GLN A 56 18.148 -3.309 -1.008 1.00 74.32 H new ATOM 0 HE22 GLN A 56 17.092 -4.164 0.121 1.00 74.32 H new ATOM 789 N PRO A 57 16.784 -6.949 -6.093 1.00 41.15 N ATOM 790 CA PRO A 57 15.906 -8.005 -6.586 1.00 62.42 C ATOM 791 C PRO A 57 15.563 -8.996 -5.466 1.00 11.40 C ATOM 792 O PRO A 57 14.446 -9.497 -5.390 1.00 33.43 O ATOM 793 CB PRO A 57 16.646 -8.666 -7.751 1.00 41.55 C ATOM 794 CG PRO A 57 18.115 -8.337 -7.507 1.00 62.14 C ATOM 795 CD PRO A 57 18.061 -6.987 -6.793 1.00 13.52 C ATOM 0 HA PRO A 57 14.948 -7.611 -6.927 1.00 62.42 H new ATOM 0 HB2 PRO A 57 16.478 -9.743 -7.768 1.00 41.55 H new ATOM 0 HB3 PRO A 57 16.306 -8.275 -8.710 1.00 41.55 H new ATOM 0 HG2 PRO A 57 18.601 -9.097 -6.894 1.00 62.14 H new ATOM 0 HG3 PRO A 57 18.674 -8.276 -8.441 1.00 62.14 H new ATOM 0 HD2 PRO A 57 18.891 -6.882 -6.094 1.00 13.52 H new ATOM 0 HD3 PRO A 57 18.139 -6.166 -7.506 1.00 13.52 H new ATOM 800 N ALA A 58 16.487 -9.219 -4.530 1.00 35.23 N ATOM 801 CA ALA A 58 16.239 -10.068 -3.380 1.00 64.25 C ATOM 802 C ALA A 58 15.090 -9.563 -2.509 1.00 11.51 C ATOM 803 O ALA A 58 14.289 -10.373 -2.042 1.00 52.31 O ATOM 804 CB ALA A 58 17.534 -10.167 -2.572 1.00 2.50 C ATOM 0 H ALA A 58 17.423 -8.814 -4.554 1.00 35.23 H new ATOM 0 HA ALA A 58 15.932 -11.052 -3.734 1.00 64.25 H new ATOM 0 HB1 ALA A 58 17.372 -10.802 -1.701 1.00 2.50 H new ATOM 0 HB2 ALA A 58 18.319 -10.598 -3.194 1.00 2.50 H new ATOM 0 HB3 ALA A 58 17.836 -9.172 -2.245 1.00 2.50 H new ATOM 810 N ASP A 59 14.987 -8.245 -2.306 1.00 33.31 N ATOM 811 CA ASP A 59 13.996 -7.673 -1.399 1.00 22.00 C ATOM 812 C ASP A 59 12.598 -7.685 -2.003 1.00 1.21 C ATOM 813 O ASP A 59 11.621 -7.482 -1.277 1.00 45.42 O ATOM 814 CB ASP A 59 14.369 -6.234 -0.996 1.00 13.52 C ATOM 815 CG ASP A 59 14.980 -6.096 0.404 1.00 24.43 C ATOM 816 OD1 ASP A 59 14.892 -7.042 1.225 1.00 41.53 O ATOM 817 OD2 ASP A 59 15.501 -5.012 0.747 1.00 70.22 O ATOM 0 H ASP A 59 15.583 -7.554 -2.762 1.00 33.31 H new ATOM 0 HA ASP A 59 13.993 -8.302 -0.509 1.00 22.00 H new ATOM 0 HB2 ASP A 59 15.075 -5.839 -1.726 1.00 13.52 H new ATOM 0 HB3 ASP A 59 13.475 -5.613 -1.050 1.00 13.52 H new ATOM 821 N VAL A 60 12.461 -7.883 -3.313 1.00 13.20 N ATOM 822 CA VAL A 60 11.157 -8.082 -3.935 1.00 54.12 C ATOM 823 C VAL A 60 10.865 -9.575 -3.984 1.00 2.21 C ATOM 824 O VAL A 60 9.826 -10.027 -3.494 1.00 0.23 O ATOM 825 CB VAL A 60 11.068 -7.360 -5.288 1.00 75.05 C ATOM 826 CG1 VAL A 60 12.235 -7.606 -6.240 1.00 4.32 C ATOM 827 CG2 VAL A 60 9.770 -7.718 -6.011 1.00 62.42 C ATOM 0 H VAL A 60 13.244 -7.910 -3.966 1.00 13.20 H new ATOM 0 HA VAL A 60 10.368 -7.623 -3.339 1.00 54.12 H new ATOM 0 HB VAL A 60 11.101 -6.303 -5.024 1.00 75.05 H new ATOM 0 HG11 VAL A 60 12.074 -7.051 -7.164 1.00 4.32 H new ATOM 0 HG12 VAL A 60 13.162 -7.272 -5.773 1.00 4.32 H new ATOM 0 HG13 VAL A 60 12.304 -8.671 -6.463 1.00 4.32 H new ATOM 0 HG21 VAL A 60 9.729 -7.195 -6.966 1.00 62.42 H new ATOM 0 HG22 VAL A 60 9.735 -8.794 -6.184 1.00 62.42 H new ATOM 0 HG23 VAL A 60 8.919 -7.421 -5.399 1.00 62.42 H new ATOM 837 N SER A 61 11.822 -10.359 -4.466 1.00 4.10 N ATOM 838 CA SER A 61 11.741 -11.797 -4.607 1.00 31.24 C ATOM 839 C SER A 61 11.876 -12.509 -3.254 1.00 21.14 C ATOM 840 O SER A 61 12.239 -13.674 -3.222 1.00 60.32 O ATOM 841 CB SER A 61 12.814 -12.218 -5.615 1.00 60.41 C ATOM 842 OG SER A 61 12.620 -11.492 -6.820 1.00 73.01 O ATOM 0 H SER A 61 12.717 -9.985 -4.783 1.00 4.10 H new ATOM 0 HA SER A 61 10.760 -12.093 -4.979 1.00 31.24 H new ATOM 0 HB2 SER A 61 13.808 -12.022 -5.212 1.00 60.41 H new ATOM 0 HB3 SER A 61 12.753 -13.289 -5.806 1.00 60.41 H new ATOM 0 HG SER A 61 13.113 -10.646 -6.775 1.00 73.01 H new ATOM 847 N MET A 62 11.551 -11.843 -2.140 1.00 33.10 N ATOM 848 CA MET A 62 11.246 -12.410 -0.836 1.00 43.42 C ATOM 849 C MET A 62 9.737 -12.333 -0.595 1.00 70.13 C ATOM 850 O MET A 62 9.154 -13.261 -0.054 1.00 13.53 O ATOM 851 CB MET A 62 12.031 -11.687 0.273 1.00 53.32 C ATOM 852 CG MET A 62 11.503 -10.290 0.630 1.00 1.44 C ATOM 853 SD MET A 62 12.531 -9.274 1.723 1.00 11.14 S ATOM 854 CE MET A 62 13.117 -10.510 2.903 1.00 61.05 C ATOM 0 H MET A 62 11.492 -10.825 -2.133 1.00 33.10 H new ATOM 0 HA MET A 62 11.552 -13.456 -0.815 1.00 43.42 H new ATOM 0 HB2 MET A 62 12.017 -12.305 1.170 1.00 53.32 H new ATOM 0 HB3 MET A 62 13.072 -11.598 -0.037 1.00 53.32 H new ATOM 0 HG2 MET A 62 11.349 -9.739 -0.298 1.00 1.44 H new ATOM 0 HG3 MET A 62 10.525 -10.407 1.097 1.00 1.44 H new ATOM 0 HE1 MET A 62 13.629 -10.013 3.727 1.00 61.05 H new ATOM 0 HE2 MET A 62 12.269 -11.074 3.291 1.00 61.05 H new ATOM 0 HE3 MET A 62 13.808 -11.190 2.405 1.00 61.05 H new ATOM 862 N ILE A 63 9.082 -11.246 -1.008 1.00 12.52 N ATOM 863 CA ILE A 63 7.704 -10.907 -0.673 1.00 1.11 C ATOM 864 C ILE A 63 6.777 -11.979 -1.242 1.00 20.04 C ATOM 865 O ILE A 63 5.858 -12.452 -0.577 1.00 65.21 O ATOM 866 CB ILE A 63 7.363 -9.494 -1.229 1.00 41.44 C ATOM 867 CG1 ILE A 63 8.344 -8.393 -0.759 1.00 3.30 C ATOM 868 CG2 ILE A 63 5.933 -9.084 -0.847 1.00 23.00 C ATOM 869 CD1 ILE A 63 8.240 -7.099 -1.581 1.00 75.32 C ATOM 0 H ILE A 63 9.520 -10.550 -1.611 1.00 12.52 H new ATOM 0 HA ILE A 63 7.570 -10.877 0.408 1.00 1.11 H new ATOM 0 HB ILE A 63 7.456 -9.578 -2.312 1.00 41.44 H new ATOM 0 HG12 ILE A 63 8.150 -8.166 0.289 1.00 3.30 H new ATOM 0 HG13 ILE A 63 9.364 -8.774 -0.820 1.00 3.30 H new ATOM 0 HG21 ILE A 63 5.719 -8.093 -1.247 1.00 23.00 H new ATOM 0 HG22 ILE A 63 5.226 -9.803 -1.261 1.00 23.00 H new ATOM 0 HG23 ILE A 63 5.838 -9.065 0.239 1.00 23.00 H new ATOM 0 HD11 ILE A 63 8.954 -6.368 -1.201 1.00 75.32 H new ATOM 0 HD12 ILE A 63 8.462 -7.313 -2.626 1.00 75.32 H new ATOM 0 HD13 ILE A 63 7.230 -6.697 -1.500 1.00 75.32 H new ATOM 880 N LYS A 64 7.068 -12.410 -2.466 1.00 14.31 N ATOM 881 CA LYS A 64 6.326 -13.438 -3.183 1.00 44.14 C ATOM 882 C LYS A 64 6.322 -14.767 -2.427 1.00 14.51 C ATOM 883 O LYS A 64 5.377 -15.540 -2.556 1.00 32.30 O ATOM 884 CB LYS A 64 6.953 -13.588 -4.577 1.00 3.53 C ATOM 885 CG LYS A 64 6.771 -12.294 -5.404 1.00 55.14 C ATOM 886 CD LYS A 64 7.874 -11.986 -6.423 1.00 4.33 C ATOM 887 CE LYS A 64 7.541 -12.506 -7.827 1.00 15.14 C ATOM 888 NZ LYS A 64 8.067 -11.618 -8.886 1.00 11.53 N ATOM 0 H LYS A 64 7.853 -12.040 -3.002 1.00 14.31 H new ATOM 0 HA LYS A 64 5.281 -13.140 -3.273 1.00 44.14 H new ATOM 0 HB2 LYS A 64 8.014 -13.817 -4.480 1.00 3.53 H new ATOM 0 HB3 LYS A 64 6.492 -14.426 -5.099 1.00 3.53 H new ATOM 0 HG2 LYS A 64 5.821 -12.356 -5.935 1.00 55.14 H new ATOM 0 HG3 LYS A 64 6.696 -11.453 -4.714 1.00 55.14 H new ATOM 0 HD2 LYS A 64 8.033 -10.909 -6.467 1.00 4.33 H new ATOM 0 HD3 LYS A 64 8.810 -12.433 -6.086 1.00 4.33 H new ATOM 0 HE2 LYS A 64 7.958 -13.505 -7.952 1.00 15.14 H new ATOM 0 HE3 LYS A 64 6.460 -12.596 -7.933 1.00 15.14 H new ATOM 0 HZ1 LYS A 64 8.002 -12.099 -9.806 1.00 11.53 H new ATOM 0 HZ2 LYS A 64 7.508 -10.741 -8.913 1.00 11.53 H new ATOM 0 HZ3 LYS A 64 9.061 -11.389 -8.685 1.00 11.53 H new ATOM 898 N LYS A 65 7.350 -15.039 -1.620 1.00 0.20 N ATOM 899 CA LYS A 65 7.444 -16.246 -0.804 1.00 52.33 C ATOM 900 C LYS A 65 6.670 -16.124 0.503 1.00 34.11 C ATOM 901 O LYS A 65 6.585 -17.109 1.231 1.00 65.32 O ATOM 902 CB LYS A 65 8.923 -16.569 -0.540 1.00 1.50 C ATOM 903 CG LYS A 65 9.620 -16.994 -1.842 1.00 35.24 C ATOM 904 CD LYS A 65 10.649 -15.967 -2.316 1.00 31.34 C ATOM 905 CE LYS A 65 11.889 -15.943 -1.406 1.00 71.01 C ATOM 906 NZ LYS A 65 12.643 -17.209 -1.352 1.00 73.02 N ATOM 0 H LYS A 65 8.151 -14.416 -1.515 1.00 0.20 H new ATOM 0 HA LYS A 65 6.985 -17.065 -1.357 1.00 52.33 H new ATOM 0 HB2 LYS A 65 9.423 -15.696 -0.121 1.00 1.50 H new ATOM 0 HB3 LYS A 65 9.001 -17.367 0.199 1.00 1.50 H new ATOM 0 HG2 LYS A 65 10.113 -17.954 -1.690 1.00 35.24 H new ATOM 0 HG3 LYS A 65 8.871 -17.140 -2.621 1.00 35.24 H new ATOM 0 HD2 LYS A 65 10.951 -16.199 -3.337 1.00 31.34 H new ATOM 0 HD3 LYS A 65 10.193 -14.977 -2.336 1.00 31.34 H new ATOM 0 HE2 LYS A 65 12.558 -15.153 -1.748 1.00 71.01 H new ATOM 0 HE3 LYS A 65 11.575 -15.680 -0.396 1.00 71.01 H new ATOM 0 HZ1 LYS A 65 13.552 -17.051 -0.872 1.00 73.02 H new ATOM 0 HZ2 LYS A 65 12.093 -17.918 -0.827 1.00 73.02 H new ATOM 0 HZ3 LYS A 65 12.816 -17.551 -2.319 1.00 73.02 H new ATOM 916 N GLN A 66 6.086 -14.963 0.806 1.00 3.40 N ATOM 917 CA GLN A 66 5.244 -14.774 1.982 1.00 3.52 C ATOM 918 C GLN A 66 3.752 -14.707 1.608 1.00 11.41 C ATOM 919 O GLN A 66 2.945 -14.210 2.399 1.00 64.15 O ATOM 920 CB GLN A 66 5.747 -13.561 2.790 1.00 14.10 C ATOM 921 CG GLN A 66 6.936 -13.892 3.713 1.00 12.50 C ATOM 922 CD GLN A 66 8.280 -13.909 2.993 1.00 52.35 C ATOM 923 OE1 GLN A 66 8.781 -14.950 2.586 1.00 44.55 O ATOM 924 NE2 GLN A 66 8.931 -12.764 2.849 1.00 53.34 N ATOM 0 H GLN A 66 6.187 -14.123 0.236 1.00 3.40 H new ATOM 0 HA GLN A 66 5.325 -15.644 2.634 1.00 3.52 H new ATOM 0 HB2 GLN A 66 6.041 -12.771 2.100 1.00 14.10 H new ATOM 0 HB3 GLN A 66 4.927 -13.169 3.392 1.00 14.10 H new ATOM 0 HG2 GLN A 66 6.974 -13.160 4.519 1.00 12.50 H new ATOM 0 HG3 GLN A 66 6.768 -14.865 4.174 1.00 12.50 H new ATOM 0 HE21 GLN A 66 8.516 -11.896 3.187 1.00 53.34 H new ATOM 0 HE22 GLN A 66 9.847 -12.751 2.400 1.00 53.34 H new ATOM 931 N GLY A 67 3.353 -15.206 0.431 1.00 44.45 N ATOM 932 CA GLY A 67 1.942 -15.293 0.068 1.00 50.34 C ATOM 933 C GLY A 67 1.398 -13.975 -0.436 1.00 1.15 C ATOM 934 O GLY A 67 0.334 -13.564 0.016 1.00 53.32 O ATOM 0 H GLY A 67 3.992 -15.555 -0.283 1.00 44.45 H new ATOM 0 HA2 GLY A 67 1.813 -16.055 -0.701 1.00 50.34 H new ATOM 0 HA3 GLY A 67 1.365 -15.614 0.935 1.00 50.34 H new ATOM 938 N THR A 68 2.127 -13.304 -1.327 1.00 32.43 N ATOM 939 CA THR A 68 1.750 -12.020 -1.902 1.00 15.15 C ATOM 940 C THR A 68 1.775 -12.114 -3.431 1.00 20.04 C ATOM 941 O THR A 68 2.446 -12.987 -3.994 1.00 23.02 O ATOM 942 CB THR A 68 2.735 -10.968 -1.379 1.00 74.23 C ATOM 943 OG1 THR A 68 2.802 -11.033 0.031 1.00 24.44 O ATOM 944 CG2 THR A 68 2.380 -9.531 -1.777 1.00 61.01 C ATOM 0 H THR A 68 3.020 -13.651 -1.676 1.00 32.43 H new ATOM 0 HA THR A 68 0.738 -11.737 -1.613 1.00 15.15 H new ATOM 0 HB THR A 68 3.694 -11.206 -1.839 1.00 74.23 H new ATOM 0 HG1 THR A 68 3.544 -10.477 0.349 1.00 24.44 H new ATOM 0 HG21 THR A 68 3.124 -8.846 -1.369 1.00 61.01 H new ATOM 0 HG22 THR A 68 2.367 -9.447 -2.864 1.00 61.01 H new ATOM 0 HG23 THR A 68 1.397 -9.276 -1.381 1.00 61.01 H new ATOM 952 N THR A 69 1.093 -11.183 -4.097 1.00 13.45 N ATOM 953 CA THR A 69 0.986 -11.067 -5.541 1.00 22.25 C ATOM 954 C THR A 69 1.132 -9.598 -5.956 1.00 73.41 C ATOM 955 O THR A 69 1.016 -8.698 -5.120 1.00 63.10 O ATOM 956 CB THR A 69 -0.366 -11.636 -5.996 1.00 74.21 C ATOM 957 OG1 THR A 69 -1.428 -11.169 -5.182 1.00 12.44 O ATOM 958 CG2 THR A 69 -0.406 -13.158 -5.907 1.00 61.00 C ATOM 0 H THR A 69 0.574 -10.452 -3.612 1.00 13.45 H new ATOM 0 HA THR A 69 1.783 -11.636 -6.020 1.00 22.25 H new ATOM 0 HB THR A 69 -0.482 -11.305 -7.028 1.00 74.21 H new ATOM 0 HG1 THR A 69 -2.274 -11.548 -5.499 1.00 12.44 H new ATOM 0 HG21 THR A 69 -1.381 -13.516 -6.238 1.00 61.00 H new ATOM 0 HG22 THR A 69 0.372 -13.580 -6.543 1.00 61.00 H new ATOM 0 HG23 THR A 69 -0.238 -13.467 -4.875 1.00 61.00 H new ATOM 966 N LEU A 70 1.361 -9.363 -7.250 1.00 74.04 N ATOM 967 CA LEU A 70 1.498 -8.044 -7.861 1.00 51.13 C ATOM 968 C LEU A 70 0.264 -7.179 -7.596 1.00 15.42 C ATOM 969 O LEU A 70 0.409 -6.006 -7.266 1.00 63.04 O ATOM 970 CB LEU A 70 1.790 -8.246 -9.360 1.00 24.34 C ATOM 971 CG LEU A 70 1.821 -6.988 -10.243 1.00 52.51 C ATOM 972 CD1 LEU A 70 2.878 -5.977 -9.802 1.00 24.04 C ATOM 973 CD2 LEU A 70 2.154 -7.394 -11.683 1.00 73.40 C ATOM 0 H LEU A 70 1.460 -10.120 -7.927 1.00 74.04 H new ATOM 0 HA LEU A 70 2.328 -7.496 -7.415 1.00 51.13 H new ATOM 0 HB2 LEU A 70 2.753 -8.748 -9.452 1.00 24.34 H new ATOM 0 HB3 LEU A 70 1.037 -8.924 -9.763 1.00 24.34 H new ATOM 0 HG LEU A 70 0.839 -6.522 -10.159 1.00 52.51 H new ATOM 0 HD11 LEU A 70 2.851 -5.111 -10.463 1.00 24.04 H new ATOM 0 HD12 LEU A 70 2.673 -5.659 -8.780 1.00 24.04 H new ATOM 0 HD13 LEU A 70 3.864 -6.438 -9.848 1.00 24.04 H new ATOM 0 HD21 LEU A 70 2.178 -6.506 -12.315 1.00 73.40 H new ATOM 0 HD22 LEU A 70 3.128 -7.883 -11.707 1.00 73.40 H new ATOM 0 HD23 LEU A 70 1.393 -8.082 -12.052 1.00 73.40 H new ATOM 984 N GLU A 71 -0.931 -7.775 -7.647 1.00 1.43 N ATOM 985 CA GLU A 71 -2.218 -7.114 -7.427 1.00 32.14 C ATOM 986 C GLU A 71 -2.373 -6.489 -6.031 1.00 4.13 C ATOM 987 O GLU A 71 -3.282 -5.688 -5.804 1.00 23.45 O ATOM 988 CB GLU A 71 -3.335 -8.157 -7.590 1.00 21.22 C ATOM 989 CG GLU A 71 -3.312 -8.949 -8.899 1.00 60.41 C ATOM 990 CD GLU A 71 -4.637 -9.671 -9.193 1.00 63.20 C ATOM 991 OE1 GLU A 71 -5.055 -10.544 -8.388 1.00 2.23 O ATOM 992 OE2 GLU A 71 -5.209 -9.442 -10.276 1.00 61.00 O ATOM 0 H GLU A 71 -1.031 -8.769 -7.851 1.00 1.43 H new ATOM 0 HA GLU A 71 -2.276 -6.305 -8.155 1.00 32.14 H new ATOM 0 HB2 GLU A 71 -3.275 -8.860 -6.759 1.00 21.22 H new ATOM 0 HB3 GLU A 71 -4.296 -7.650 -7.510 1.00 21.22 H new ATOM 0 HG2 GLU A 71 -3.084 -8.272 -9.722 1.00 60.41 H new ATOM 0 HG3 GLU A 71 -2.507 -9.683 -8.858 1.00 60.41 H new ATOM 997 N MET A 72 -1.538 -6.895 -5.071 1.00 3.15 N ATOM 998 CA MET A 72 -1.491 -6.267 -3.756 1.00 12.22 C ATOM 999 C MET A 72 -0.699 -4.964 -3.866 1.00 40.11 C ATOM 1000 O MET A 72 -1.130 -3.913 -3.396 1.00 35.41 O ATOM 1001 CB MET A 72 -0.829 -7.212 -2.732 1.00 74.44 C ATOM 1002 CG MET A 72 -1.679 -7.403 -1.472 1.00 35.14 C ATOM 1003 SD MET A 72 -3.126 -8.484 -1.649 1.00 71.01 S ATOM 1004 CE MET A 72 -2.298 -10.048 -2.056 1.00 54.40 C ATOM 0 H MET A 72 -0.880 -7.665 -5.186 1.00 3.15 H new ATOM 0 HA MET A 72 -2.504 -6.056 -3.413 1.00 12.22 H new ATOM 0 HB2 MET A 72 -0.654 -8.182 -3.198 1.00 74.44 H new ATOM 0 HB3 MET A 72 0.146 -6.812 -2.451 1.00 74.44 H new ATOM 0 HG2 MET A 72 -1.042 -7.807 -0.685 1.00 35.14 H new ATOM 0 HG3 MET A 72 -2.020 -6.424 -1.135 1.00 35.14 H new ATOM 0 HE1 MET A 72 -2.522 -10.321 -3.087 1.00 54.40 H new ATOM 0 HE2 MET A 72 -1.221 -9.931 -1.937 1.00 54.40 H new ATOM 0 HE3 MET A 72 -2.654 -10.833 -1.388 1.00 54.40 H new ATOM 1012 N ILE A 73 0.496 -5.057 -4.448 1.00 63.03 N ATOM 1013 CA ILE A 73 1.503 -4.006 -4.491 1.00 75.02 C ATOM 1014 C ILE A 73 0.920 -2.792 -5.213 1.00 52.53 C ATOM 1015 O ILE A 73 1.012 -1.678 -4.700 1.00 31.14 O ATOM 1016 CB ILE A 73 2.777 -4.579 -5.163 1.00 55.33 C ATOM 1017 CG1 ILE A 73 3.277 -5.878 -4.477 1.00 44.21 C ATOM 1018 CG2 ILE A 73 3.926 -3.566 -5.267 1.00 41.11 C ATOM 1019 CD1 ILE A 73 3.397 -5.824 -2.948 1.00 24.24 C ATOM 0 H ILE A 73 0.799 -5.907 -4.923 1.00 63.03 H new ATOM 0 HA ILE A 73 1.789 -3.668 -3.495 1.00 75.02 H new ATOM 0 HB ILE A 73 2.464 -4.821 -6.179 1.00 55.33 H new ATOM 0 HG12 ILE A 73 2.599 -6.689 -4.741 1.00 44.21 H new ATOM 0 HG13 ILE A 73 4.253 -6.132 -4.890 1.00 44.21 H new ATOM 0 HG21 ILE A 73 4.784 -4.037 -5.747 1.00 41.11 H new ATOM 0 HG22 ILE A 73 3.603 -2.709 -5.859 1.00 41.11 H new ATOM 0 HG23 ILE A 73 4.208 -3.232 -4.269 1.00 41.11 H new ATOM 0 HD11 ILE A 73 3.754 -6.785 -2.577 1.00 24.24 H new ATOM 0 HD12 ILE A 73 4.101 -5.041 -2.666 1.00 24.24 H new ATOM 0 HD13 ILE A 73 2.421 -5.608 -2.514 1.00 24.24 H new ATOM 1030 N THR A 74 0.269 -3.008 -6.354 1.00 60.33 N ATOM 1031 CA THR A 74 -0.374 -1.973 -7.150 1.00 4.51 C ATOM 1032 C THR A 74 -1.420 -1.206 -6.337 1.00 20.35 C ATOM 1033 O THR A 74 -1.480 0.024 -6.420 1.00 60.32 O ATOM 1034 CB THR A 74 -0.969 -2.631 -8.411 1.00 43.10 C ATOM 1035 OG1 THR A 74 -1.723 -3.778 -8.088 1.00 34.31 O ATOM 1036 CG2 THR A 74 0.145 -3.059 -9.372 1.00 23.35 C ATOM 0 H THR A 74 0.173 -3.939 -6.760 1.00 60.33 H new ATOM 0 HA THR A 74 0.361 -1.227 -7.455 1.00 4.51 H new ATOM 0 HB THR A 74 -1.614 -1.888 -8.879 1.00 43.10 H new ATOM 0 HG1 THR A 74 -2.088 -4.171 -8.908 1.00 34.31 H new ATOM 0 HG21 THR A 74 -0.295 -3.521 -10.256 1.00 23.35 H new ATOM 0 HG22 THR A 74 0.724 -2.185 -9.670 1.00 23.35 H new ATOM 0 HG23 THR A 74 0.799 -3.776 -8.875 1.00 23.35 H new ATOM 1044 N ALA A 75 -2.239 -1.883 -5.529 1.00 54.23 N ATOM 1045 CA ALA A 75 -3.303 -1.186 -4.818 1.00 14.55 C ATOM 1046 C ALA A 75 -2.749 -0.365 -3.650 1.00 32.45 C ATOM 1047 O ALA A 75 -3.275 0.714 -3.361 1.00 54.22 O ATOM 1048 CB ALA A 75 -4.365 -2.176 -4.357 1.00 11.24 C ATOM 0 H ALA A 75 -2.187 -2.887 -5.356 1.00 54.23 H new ATOM 0 HA ALA A 75 -3.773 -0.482 -5.505 1.00 14.55 H new ATOM 0 HB1 ALA A 75 -5.154 -1.643 -3.827 1.00 11.24 H new ATOM 0 HB2 ALA A 75 -4.789 -2.684 -5.223 1.00 11.24 H new ATOM 0 HB3 ALA A 75 -3.913 -2.910 -3.690 1.00 11.24 H new ATOM 1054 N TRP A 76 -1.698 -0.854 -2.981 1.00 42.20 N ATOM 1055 CA TRP A 76 -1.034 -0.105 -1.920 1.00 22.33 C ATOM 1056 C TRP A 76 -0.226 1.060 -2.479 1.00 22.21 C ATOM 1057 O TRP A 76 -0.160 2.099 -1.826 1.00 34.03 O ATOM 1058 CB TRP A 76 -0.159 -1.035 -1.069 1.00 61.34 C ATOM 1059 CG TRP A 76 -0.963 -1.809 -0.074 1.00 3.54 C ATOM 1060 CD1 TRP A 76 -1.408 -3.073 -0.223 1.00 54.31 C ATOM 1061 CD2 TRP A 76 -1.583 -1.317 1.149 1.00 33.44 C ATOM 1062 NE1 TRP A 76 -2.269 -3.388 0.803 1.00 30.11 N ATOM 1063 CE2 TRP A 76 -2.454 -2.327 1.654 1.00 12.12 C ATOM 1064 CE3 TRP A 76 -1.576 -0.081 1.826 1.00 51.41 C ATOM 1065 CZ2 TRP A 76 -3.327 -2.100 2.727 1.00 10.54 C ATOM 1066 CZ3 TRP A 76 -2.381 0.125 2.961 1.00 33.03 C ATOM 1067 CH2 TRP A 76 -3.300 -0.856 3.374 1.00 42.21 C ATOM 0 H TRP A 76 -1.291 -1.772 -3.161 1.00 42.20 H new ATOM 0 HA TRP A 76 -1.804 0.319 -1.276 1.00 22.33 H new ATOM 0 HB2 TRP A 76 0.374 -1.727 -1.721 1.00 61.34 H new ATOM 0 HB3 TRP A 76 0.594 -0.445 -0.546 1.00 61.34 H new ATOM 0 HD1 TRP A 76 -1.130 -3.738 -1.027 1.00 54.31 H new ATOM 0 HE1 TRP A 76 -2.715 -4.298 0.917 1.00 30.11 H new ATOM 0 HE3 TRP A 76 -0.944 0.719 1.469 1.00 51.41 H new ATOM 0 HZ2 TRP A 76 -4.010 -2.871 3.051 1.00 10.54 H new ATOM 0 HZ3 TRP A 76 -2.292 1.045 3.520 1.00 33.03 H new ATOM 0 HH2 TRP A 76 -3.982 -0.652 4.186 1.00 42.21 H new ATOM 1077 N GLN A 77 0.380 0.900 -3.657 1.00 53.32 N ATOM 1078 CA GLN A 77 1.095 1.954 -4.351 1.00 53.21 C ATOM 1079 C GLN A 77 0.146 3.119 -4.561 1.00 23.44 C ATOM 1080 O GLN A 77 0.363 4.195 -4.004 1.00 31.12 O ATOM 1081 CB GLN A 77 1.641 1.404 -5.674 1.00 15.22 C ATOM 1082 CG GLN A 77 2.353 2.427 -6.562 1.00 42.14 C ATOM 1083 CD GLN A 77 3.011 1.747 -7.763 1.00 53.10 C ATOM 1084 OE1 GLN A 77 3.017 0.527 -7.907 1.00 32.43 O ATOM 1085 NE2 GLN A 77 3.639 2.517 -8.629 1.00 60.43 N ATOM 0 H GLN A 77 0.383 0.012 -4.159 1.00 53.32 H new ATOM 0 HA GLN A 77 1.945 2.308 -3.768 1.00 53.21 H new ATOM 0 HB2 GLN A 77 2.335 0.593 -5.453 1.00 15.22 H new ATOM 0 HB3 GLN A 77 0.814 0.971 -6.237 1.00 15.22 H new ATOM 0 HG2 GLN A 77 1.638 3.173 -6.909 1.00 42.14 H new ATOM 0 HG3 GLN A 77 3.108 2.956 -5.980 1.00 42.14 H new ATOM 0 HE21 GLN A 77 3.633 3.530 -8.509 1.00 60.43 H new ATOM 0 HE22 GLN A 77 4.130 2.100 -9.420 1.00 60.43 H new ATOM 1092 N ASP A 78 -0.896 2.889 -5.357 1.00 72.00 N ATOM 1093 CA ASP A 78 -1.761 3.961 -5.813 1.00 1.32 C ATOM 1094 C ASP A 78 -2.467 4.634 -4.642 1.00 41.52 C ATOM 1095 O ASP A 78 -2.537 5.855 -4.639 1.00 55.11 O ATOM 1096 CB ASP A 78 -2.764 3.479 -6.866 1.00 21.12 C ATOM 1097 CG ASP A 78 -2.847 4.488 -8.023 1.00 63.31 C ATOM 1098 OD1 ASP A 78 -3.049 5.703 -7.785 1.00 41.44 O ATOM 1099 OD2 ASP A 78 -2.694 4.106 -9.203 1.00 53.41 O ATOM 0 H ASP A 78 -1.158 1.964 -5.698 1.00 72.00 H new ATOM 0 HA ASP A 78 -1.126 4.705 -6.294 1.00 1.32 H new ATOM 0 HB2 ASP A 78 -2.462 2.503 -7.246 1.00 21.12 H new ATOM 0 HB3 ASP A 78 -3.747 3.354 -6.412 1.00 21.12 H new ATOM 1103 N PHE A 79 -2.907 3.895 -3.611 1.00 24.32 N ATOM 1104 CA PHE A 79 -3.500 4.509 -2.418 1.00 32.12 C ATOM 1105 C PHE A 79 -2.565 5.580 -1.855 1.00 52.32 C ATOM 1106 O PHE A 79 -2.984 6.710 -1.592 1.00 24.34 O ATOM 1107 CB PHE A 79 -3.811 3.463 -1.332 1.00 72.32 C ATOM 1108 CG PHE A 79 -4.294 4.067 -0.016 1.00 24.05 C ATOM 1109 CD1 PHE A 79 -3.352 4.489 0.946 1.00 61.24 C ATOM 1110 CD2 PHE A 79 -5.670 4.241 0.245 1.00 5.44 C ATOM 1111 CE1 PHE A 79 -3.773 5.103 2.137 1.00 12.23 C ATOM 1112 CE2 PHE A 79 -6.091 4.814 1.463 1.00 51.50 C ATOM 1113 CZ PHE A 79 -5.146 5.241 2.407 1.00 11.51 C ATOM 0 H PHE A 79 -2.863 2.876 -3.582 1.00 24.32 H new ATOM 0 HA PHE A 79 -4.441 4.969 -2.719 1.00 32.12 H new ATOM 0 HB2 PHE A 79 -4.571 2.778 -1.707 1.00 72.32 H new ATOM 0 HB3 PHE A 79 -2.915 2.872 -1.143 1.00 72.32 H new ATOM 0 HD1 PHE A 79 -2.298 4.339 0.765 1.00 61.24 H new ATOM 0 HD2 PHE A 79 -6.401 3.935 -0.489 1.00 5.44 H new ATOM 0 HE1 PHE A 79 -3.043 5.469 2.844 1.00 12.23 H new ATOM 0 HE2 PHE A 79 -7.145 4.924 1.669 1.00 51.50 H new ATOM 0 HZ PHE A 79 -5.472 5.675 3.340 1.00 11.51 H new ATOM 1122 N TYR A 80 -1.292 5.234 -1.653 1.00 74.24 N ATOM 1123 CA TYR A 80 -0.341 6.174 -1.095 1.00 74.03 C ATOM 1124 C TYR A 80 -0.070 7.318 -2.083 1.00 43.34 C ATOM 1125 O TYR A 80 0.092 8.457 -1.647 1.00 51.44 O ATOM 1126 CB TYR A 80 0.935 5.433 -0.668 1.00 3.52 C ATOM 1127 CG TYR A 80 0.810 4.526 0.553 1.00 71.22 C ATOM 1128 CD1 TYR A 80 0.223 4.978 1.753 1.00 43.44 C ATOM 1129 CD2 TYR A 80 1.313 3.214 0.496 1.00 1.43 C ATOM 1130 CE1 TYR A 80 0.061 4.109 2.847 1.00 54.13 C ATOM 1131 CE2 TYR A 80 1.139 2.327 1.573 1.00 51.14 C ATOM 1132 CZ TYR A 80 0.487 2.767 2.745 1.00 2.34 C ATOM 1133 OH TYR A 80 0.332 1.922 3.802 1.00 12.22 O ATOM 0 H TYR A 80 -0.906 4.315 -1.868 1.00 74.24 H new ATOM 0 HA TYR A 80 -0.759 6.635 -0.200 1.00 74.03 H new ATOM 0 HB2 TYR A 80 1.279 4.831 -1.509 1.00 3.52 H new ATOM 0 HB3 TYR A 80 1.710 6.173 -0.468 1.00 3.52 H new ATOM 0 HD1 TYR A 80 -0.106 6.004 1.833 1.00 43.44 H new ATOM 0 HD2 TYR A 80 1.840 2.883 -0.387 1.00 1.43 H new ATOM 0 HE1 TYR A 80 -0.388 4.467 3.762 1.00 54.13 H new ATOM 0 HE2 TYR A 80 1.503 1.313 1.504 1.00 51.14 H new ATOM 0 HH TYR A 80 -0.365 1.264 3.596 1.00 12.22 H new ATOM 1142 N GLU A 81 -0.030 7.069 -3.395 1.00 52.42 N ATOM 1143 CA GLU A 81 0.094 8.113 -4.422 1.00 12.45 C ATOM 1144 C GLU A 81 -1.084 9.091 -4.372 1.00 3.32 C ATOM 1145 O GLU A 81 -0.888 10.303 -4.504 1.00 34.35 O ATOM 1146 CB GLU A 81 0.238 7.485 -5.820 1.00 33.45 C ATOM 1147 CG GLU A 81 1.590 6.764 -5.971 1.00 2.44 C ATOM 1148 CD GLU A 81 1.937 6.317 -7.395 1.00 64.40 C ATOM 1149 OE1 GLU A 81 1.290 6.761 -8.370 1.00 73.01 O ATOM 1150 OE2 GLU A 81 2.962 5.615 -7.571 1.00 63.01 O ATOM 0 H GLU A 81 -0.083 6.126 -3.781 1.00 52.42 H new ATOM 0 HA GLU A 81 0.998 8.684 -4.212 1.00 12.45 H new ATOM 0 HB2 GLU A 81 -0.575 6.779 -5.989 1.00 33.45 H new ATOM 0 HB3 GLU A 81 0.150 8.261 -6.581 1.00 33.45 H new ATOM 0 HG2 GLU A 81 2.378 7.426 -5.613 1.00 2.44 H new ATOM 0 HG3 GLU A 81 1.591 5.888 -5.322 1.00 2.44 H new ATOM 1155 N GLN A 82 -2.287 8.574 -4.133 1.00 44.51 N ATOM 1156 CA GLN A 82 -3.518 9.347 -4.086 1.00 51.13 C ATOM 1157 C GLN A 82 -3.663 10.132 -2.793 1.00 62.00 C ATOM 1158 O GLN A 82 -4.383 11.132 -2.789 1.00 62.33 O ATOM 1159 CB GLN A 82 -4.767 8.456 -4.258 1.00 60.12 C ATOM 1160 CG GLN A 82 -4.947 7.833 -5.650 1.00 74.02 C ATOM 1161 CD GLN A 82 -4.583 8.804 -6.764 1.00 1.33 C ATOM 1162 OE1 GLN A 82 -5.223 9.838 -6.939 1.00 51.52 O ATOM 1163 NE2 GLN A 82 -3.522 8.523 -7.498 1.00 60.41 N ATOM 0 H GLN A 82 -2.432 7.579 -3.963 1.00 44.51 H new ATOM 0 HA GLN A 82 -3.450 10.045 -4.920 1.00 51.13 H new ATOM 0 HB2 GLN A 82 -4.723 7.653 -3.522 1.00 60.12 H new ATOM 0 HB3 GLN A 82 -5.651 9.051 -4.028 1.00 60.12 H new ATOM 0 HG2 GLN A 82 -4.326 6.941 -5.730 1.00 74.02 H new ATOM 0 HG3 GLN A 82 -5.982 7.513 -5.772 1.00 74.02 H new ATOM 0 HE21 GLN A 82 -3.004 7.659 -7.337 1.00 60.41 H new ATOM 0 HE22 GLN A 82 -3.220 9.170 -8.226 1.00 60.41 H new ATOM 1170 N GLU A 83 -3.034 9.719 -1.697 1.00 4.34 N ATOM 1171 CA GLU A 83 -3.212 10.407 -0.425 1.00 4.44 C ATOM 1172 C GLU A 83 -2.215 11.564 -0.295 1.00 13.42 C ATOM 1173 O GLU A 83 -2.417 12.457 0.520 1.00 5.44 O ATOM 1174 CB GLU A 83 -3.191 9.390 0.726 1.00 43.14 C ATOM 1175 CG GLU A 83 -1.846 9.177 1.449 1.00 33.22 C ATOM 1176 CD GLU A 83 -1.722 9.955 2.771 1.00 4.53 C ATOM 1177 OE1 GLU A 83 -2.765 10.276 3.388 1.00 50.11 O ATOM 1178 OE2 GLU A 83 -0.592 10.111 3.283 1.00 71.11 O ATOM 0 H GLU A 83 -2.402 8.919 -1.664 1.00 4.34 H new ATOM 0 HA GLU A 83 -4.193 10.880 -0.377 1.00 4.44 H new ATOM 0 HB2 GLU A 83 -3.928 9.702 1.466 1.00 43.14 H new ATOM 0 HB3 GLU A 83 -3.521 8.428 0.334 1.00 43.14 H new ATOM 0 HG2 GLU A 83 -1.717 8.114 1.650 1.00 33.22 H new ATOM 0 HG3 GLU A 83 -1.035 9.476 0.785 1.00 33.22 H new ATOM 1183 N GLN A 84 -1.178 11.592 -1.134 1.00 2.22 N ATOM 1184 CA GLN A 84 -0.203 12.669 -1.175 1.00 3.31 C ATOM 1185 C GLN A 84 -0.815 13.975 -1.681 1.00 5.55 C ATOM 1186 O GLN A 84 -0.493 15.031 -1.140 1.00 24.21 O ATOM 1187 CB GLN A 84 0.965 12.229 -2.059 1.00 42.13 C ATOM 1188 CG GLN A 84 1.955 11.381 -1.264 1.00 45.42 C ATOM 1189 CD GLN A 84 2.865 10.654 -2.237 1.00 10.42 C ATOM 1190 OE1 GLN A 84 3.821 11.207 -2.770 1.00 44.40 O ATOM 1191 NE2 GLN A 84 2.591 9.389 -2.490 1.00 61.22 N ATOM 0 H GLN A 84 -0.994 10.853 -1.812 1.00 2.22 H new ATOM 0 HA GLN A 84 0.150 12.869 -0.163 1.00 3.31 H new ATOM 0 HB2 GLN A 84 0.590 11.658 -2.908 1.00 42.13 H new ATOM 0 HB3 GLN A 84 1.472 13.105 -2.463 1.00 42.13 H new ATOM 0 HG2 GLN A 84 2.542 12.012 -0.597 1.00 45.42 H new ATOM 0 HG3 GLN A 84 1.422 10.665 -0.638 1.00 45.42 H new ATOM 0 HE21 GLN A 84 1.793 8.940 -2.040 1.00 61.22 H new ATOM 0 HE22 GLN A 84 3.177 8.859 -3.135 1.00 61.22 H new ATOM 1198 N GLN A 85 -1.690 13.931 -2.691 1.00 11.54 N ATOM 1199 CA GLN A 85 -2.251 15.147 -3.287 1.00 74.14 C ATOM 1200 C GLN A 85 -3.005 15.987 -2.250 1.00 34.34 C ATOM 1201 O GLN A 85 -2.973 17.214 -2.284 1.00 32.25 O ATOM 1202 CB GLN A 85 -3.153 14.789 -4.484 1.00 74.24 C ATOM 1203 CG GLN A 85 -4.537 14.256 -4.075 1.00 34.05 C ATOM 1204 CD GLN A 85 -5.247 13.568 -5.228 1.00 1.34 C ATOM 1205 OE1 GLN A 85 -5.840 14.215 -6.077 1.00 21.34 O ATOM 1206 NE2 GLN A 85 -5.281 12.247 -5.236 1.00 2.52 N ATOM 0 H GLN A 85 -2.025 13.065 -3.113 1.00 11.54 H new ATOM 0 HA GLN A 85 -1.425 15.758 -3.651 1.00 74.14 H new ATOM 0 HB2 GLN A 85 -3.283 15.674 -5.107 1.00 74.24 H new ATOM 0 HB3 GLN A 85 -2.650 14.040 -5.095 1.00 74.24 H new ATOM 0 HG2 GLN A 85 -4.425 13.555 -3.248 1.00 34.05 H new ATOM 0 HG3 GLN A 85 -5.150 15.081 -3.712 1.00 34.05 H new ATOM 0 HE21 GLN A 85 -4.781 11.720 -4.520 1.00 2.52 H new ATOM 0 HE22 GLN A 85 -5.807 11.755 -5.958 1.00 2.52 H new ATOM 1213 N ARG A 86 -3.711 15.316 -1.332 1.00 31.05 N ATOM 1214 CA ARG A 86 -4.606 15.973 -0.385 1.00 32.12 C ATOM 1215 C ARG A 86 -3.880 16.464 0.850 1.00 44.31 C ATOM 1216 O ARG A 86 -4.449 17.248 1.607 1.00 42.30 O ATOM 1217 CB ARG A 86 -5.752 15.044 0.024 1.00 14.24 C ATOM 1218 CG ARG A 86 -5.267 13.747 0.673 1.00 31.02 C ATOM 1219 CD ARG A 86 -6.431 12.859 1.127 1.00 45.54 C ATOM 1220 NE ARG A 86 -6.522 12.807 2.590 1.00 45.32 N ATOM 1221 CZ ARG A 86 -7.114 13.661 3.424 1.00 24.44 C ATOM 1222 NH1 ARG A 86 -7.942 14.599 2.980 1.00 45.20 N ATOM 1223 NH2 ARG A 86 -6.863 13.560 4.722 1.00 62.02 N ATOM 0 H ARG A 86 -3.675 14.302 -1.229 1.00 31.05 H new ATOM 0 HA ARG A 86 -5.014 16.843 -0.900 1.00 32.12 H new ATOM 0 HB2 ARG A 86 -6.407 15.569 0.719 1.00 14.24 H new ATOM 0 HB3 ARG A 86 -6.348 14.803 -0.856 1.00 14.24 H new ATOM 0 HG2 ARG A 86 -4.647 13.197 -0.035 1.00 31.02 H new ATOM 0 HG3 ARG A 86 -4.637 13.985 1.530 1.00 31.02 H new ATOM 0 HD2 ARG A 86 -7.365 13.242 0.716 1.00 45.54 H new ATOM 0 HD3 ARG A 86 -6.298 11.852 0.733 1.00 45.54 H new ATOM 0 HE ARG A 86 -6.069 12.006 3.030 1.00 45.32 H new ATOM 0 HH11 ARG A 86 -8.136 14.677 1.982 1.00 45.20 H new ATOM 0 HH12 ARG A 86 -8.384 15.242 3.637 1.00 45.20 H new ATOM 0 HH21 ARG A 86 -6.228 12.839 5.064 1.00 62.02 H new ATOM 0 HH22 ARG A 86 -7.305 14.203 5.379 1.00 62.02 H new ATOM 1234 N ASN A 87 -2.672 15.979 1.109 1.00 45.34 N ATOM 1235 CA ASN A 87 -1.813 16.531 2.122 1.00 42.52 C ATOM 1236 C ASN A 87 -0.373 16.299 1.702 1.00 2.11 C ATOM 1237 O ASN A 87 0.130 15.185 1.843 1.00 4.52 O ATOM 1238 CB ASN A 87 -2.109 16.011 3.541 1.00 44.10 C ATOM 1239 CG ASN A 87 -2.582 14.572 3.722 1.00 14.21 C ATOM 1240 OD1 ASN A 87 -3.564 14.332 4.428 1.00 2.41 O ATOM 1241 ND2 ASN A 87 -1.918 13.598 3.137 1.00 53.34 N ATOM 0 H ASN A 87 -2.268 15.185 0.612 1.00 45.34 H new ATOM 0 HA ASN A 87 -2.008 17.601 2.195 1.00 42.52 H new ATOM 0 HB2 ASN A 87 -1.201 16.135 4.132 1.00 44.10 H new ATOM 0 HB3 ASN A 87 -2.866 16.663 3.978 1.00 44.10 H new ATOM 0 HD21 ASN A 87 -2.214 12.630 3.265 1.00 53.34 H new ATOM 0 HD22 ASN A 87 -1.107 13.811 2.556 1.00 53.34 H new ATOM 1247 N GLU A 88 0.289 17.353 1.213 1.00 52.10 N ATOM 1248 CA GLU A 88 1.710 17.352 0.849 1.00 14.24 C ATOM 1249 C GLU A 88 2.553 16.901 2.040 1.00 50.12 C ATOM 1250 O GLU A 88 3.562 16.211 1.905 1.00 45.10 O ATOM 1251 CB GLU A 88 2.123 18.780 0.437 1.00 14.24 C ATOM 1252 CG GLU A 88 1.538 19.206 -0.921 1.00 64.20 C ATOM 1253 CD GLU A 88 1.248 20.710 -1.000 1.00 25.31 C ATOM 1254 OE1 GLU A 88 0.425 21.190 -0.185 1.00 23.31 O ATOM 1255 OE2 GLU A 88 1.810 21.424 -1.863 1.00 33.31 O ATOM 0 H GLU A 88 -0.161 18.255 1.055 1.00 52.10 H new ATOM 0 HA GLU A 88 1.872 16.664 0.019 1.00 14.24 H new ATOM 0 HB2 GLU A 88 1.796 19.482 1.204 1.00 14.24 H new ATOM 0 HB3 GLU A 88 3.210 18.839 0.393 1.00 14.24 H new ATOM 0 HG2 GLU A 88 2.235 18.933 -1.713 1.00 64.20 H new ATOM 0 HG3 GLU A 88 0.616 18.653 -1.104 1.00 64.20 H new ATOM 1260 N ASN A 89 2.106 17.285 3.231 1.00 62.10 N ATOM 1261 CA ASN A 89 2.788 17.208 4.512 1.00 21.01 C ATOM 1262 C ASN A 89 2.920 15.765 5.029 1.00 1.51 C ATOM 1263 O ASN A 89 3.217 15.578 6.211 1.00 41.44 O ATOM 1264 CB ASN A 89 2.021 18.102 5.509 1.00 32.15 C ATOM 1265 CG ASN A 89 1.568 19.423 4.892 1.00 2.55 C ATOM 1266 OD1 ASN A 89 0.402 19.582 4.539 1.00 30.23 O ATOM 1267 ND2 ASN A 89 2.482 20.332 4.614 1.00 64.30 N ATOM 0 H ASN A 89 1.176 17.693 3.330 1.00 62.10 H new ATOM 0 HA ASN A 89 3.812 17.563 4.395 1.00 21.01 H new ATOM 0 HB2 ASN A 89 1.150 17.561 5.879 1.00 32.15 H new ATOM 0 HB3 ASN A 89 2.658 18.308 6.370 1.00 32.15 H new ATOM 0 HD21 ASN A 89 2.223 21.175 4.102 1.00 64.30 H new ATOM 0 HD22 ASN A 89 3.448 20.192 4.911 1.00 64.30 H new ATOM 1273 N ASN A 90 2.683 14.746 4.193 1.00 4.53 N ATOM 1274 CA ASN A 90 2.566 13.341 4.573 1.00 32.44 C ATOM 1275 C ASN A 90 3.634 12.494 3.866 1.00 65.33 C ATOM 1276 O ASN A 90 3.381 11.868 2.833 1.00 41.14 O ATOM 1277 CB ASN A 90 1.123 12.853 4.326 1.00 43.31 C ATOM 1278 CG ASN A 90 0.370 12.588 5.622 1.00 65.40 C ATOM 1279 OD1 ASN A 90 0.527 13.313 6.597 1.00 13.15 O ATOM 1280 ND2 ASN A 90 -0.407 11.528 5.691 1.00 13.55 N ATOM 0 H ASN A 90 2.563 14.890 3.190 1.00 4.53 H new ATOM 0 HA ASN A 90 2.759 13.227 5.640 1.00 32.44 H new ATOM 0 HB2 ASN A 90 0.585 13.600 3.742 1.00 43.31 H new ATOM 0 HB3 ASN A 90 1.148 11.940 3.730 1.00 43.31 H new ATOM 0 HD21 ASN A 90 -0.886 11.303 6.563 1.00 13.55 H new ATOM 0 HD22 ASN A 90 -0.530 10.932 4.873 1.00 13.55 H new ATOM 1286 N PRO A 91 4.862 12.443 4.411 1.00 13.23 N ATOM 1287 CA PRO A 91 5.963 11.711 3.802 1.00 14.50 C ATOM 1288 C PRO A 91 5.815 10.194 3.915 1.00 65.22 C ATOM 1289 O PRO A 91 6.519 9.498 3.186 1.00 43.13 O ATOM 1290 CB PRO A 91 7.218 12.176 4.547 1.00 53.22 C ATOM 1291 CG PRO A 91 6.684 12.569 5.920 1.00 11.23 C ATOM 1292 CD PRO A 91 5.308 13.134 5.611 1.00 54.51 C ATOM 0 HA PRO A 91 6.000 11.915 2.732 1.00 14.50 H new ATOM 0 HB2 PRO A 91 7.962 11.382 4.617 1.00 53.22 H new ATOM 0 HB3 PRO A 91 7.696 13.017 4.045 1.00 53.22 H new ATOM 0 HG2 PRO A 91 6.625 11.711 6.590 1.00 11.23 H new ATOM 0 HG3 PRO A 91 7.323 13.308 6.404 1.00 11.23 H new ATOM 0 HD2 PRO A 91 4.620 12.965 6.439 1.00 54.51 H new ATOM 0 HD3 PRO A 91 5.354 14.211 5.449 1.00 54.51 H new ATOM 1297 N THR A 92 4.965 9.655 4.802 1.00 1.41 N ATOM 1298 CA THR A 92 4.859 8.207 4.957 1.00 50.12 C ATOM 1299 C THR A 92 4.436 7.610 3.620 1.00 65.44 C ATOM 1300 O THR A 92 5.192 6.839 3.023 1.00 13.20 O ATOM 1301 CB THR A 92 3.916 7.825 6.107 1.00 3.13 C ATOM 1302 OG1 THR A 92 4.316 8.440 7.312 1.00 2.55 O ATOM 1303 CG2 THR A 92 3.823 6.313 6.289 1.00 12.53 C ATOM 0 H THR A 92 4.352 10.196 5.412 1.00 1.41 H new ATOM 0 HA THR A 92 5.828 7.792 5.234 1.00 50.12 H new ATOM 0 HB THR A 92 2.923 8.188 5.841 1.00 3.13 H new ATOM 0 HG1 THR A 92 3.700 8.184 8.030 1.00 2.55 H new ATOM 0 HG21 THR A 92 3.146 6.087 7.113 1.00 12.53 H new ATOM 0 HG22 THR A 92 3.445 5.859 5.373 1.00 12.53 H new ATOM 0 HG23 THR A 92 4.812 5.912 6.512 1.00 12.53 H new ATOM 1311 N ALA A 93 3.264 8.009 3.130 1.00 21.45 N ATOM 1312 CA ALA A 93 2.736 7.589 1.851 1.00 2.42 C ATOM 1313 C ALA A 93 3.749 7.831 0.737 1.00 32.02 C ATOM 1314 O ALA A 93 3.979 6.939 -0.074 1.00 4.42 O ATOM 1315 CB ALA A 93 1.446 8.361 1.599 1.00 5.33 C ATOM 0 H ALA A 93 2.647 8.649 3.630 1.00 21.45 H new ATOM 0 HA ALA A 93 2.531 6.519 1.864 1.00 2.42 H new ATOM 0 HB1 ALA A 93 1.025 8.063 0.639 1.00 5.33 H new ATOM 0 HB2 ALA A 93 0.731 8.143 2.392 1.00 5.33 H new ATOM 0 HB3 ALA A 93 1.658 9.430 1.586 1.00 5.33 H new ATOM 1321 N LYS A 94 4.392 9.001 0.731 1.00 74.21 N ATOM 1322 CA LYS A 94 5.362 9.380 -0.286 1.00 45.14 C ATOM 1323 C LYS A 94 6.402 8.292 -0.529 1.00 73.13 C ATOM 1324 O LYS A 94 6.560 7.830 -1.661 1.00 65.32 O ATOM 1325 CB LYS A 94 5.954 10.750 0.078 1.00 61.04 C ATOM 1326 CG LYS A 94 6.650 11.385 -1.127 1.00 53.14 C ATOM 1327 CD LYS A 94 6.413 12.896 -1.210 1.00 22.40 C ATOM 1328 CE LYS A 94 7.132 13.735 -0.147 1.00 73.11 C ATOM 1329 NZ LYS A 94 7.096 15.180 -0.476 1.00 42.43 N ATOM 0 H LYS A 94 4.248 9.717 1.443 1.00 74.21 H new ATOM 0 HA LYS A 94 4.864 9.482 -1.250 1.00 45.14 H new ATOM 0 HB2 LYS A 94 5.162 11.409 0.434 1.00 61.04 H new ATOM 0 HB3 LYS A 94 6.666 10.637 0.896 1.00 61.04 H new ATOM 0 HG2 LYS A 94 7.721 11.191 -1.068 1.00 53.14 H new ATOM 0 HG3 LYS A 94 6.290 10.913 -2.041 1.00 53.14 H new ATOM 0 HD2 LYS A 94 6.727 13.242 -2.195 1.00 22.40 H new ATOM 0 HD3 LYS A 94 5.342 13.083 -1.133 1.00 22.40 H new ATOM 0 HE2 LYS A 94 6.665 13.571 0.824 1.00 73.11 H new ATOM 0 HE3 LYS A 94 8.168 13.406 -0.062 1.00 73.11 H new ATOM 0 HZ1 LYS A 94 7.591 15.717 0.264 1.00 42.43 H new ATOM 0 HZ2 LYS A 94 7.564 15.339 -1.391 1.00 42.43 H new ATOM 0 HZ3 LYS A 94 6.108 15.499 -0.532 1.00 42.43 H new ATOM 1339 N TYR A 95 7.078 7.843 0.525 1.00 10.34 N ATOM 1340 CA TYR A 95 8.040 6.763 0.389 1.00 63.14 C ATOM 1341 C TYR A 95 7.343 5.414 0.162 1.00 62.13 C ATOM 1342 O TYR A 95 7.821 4.646 -0.668 1.00 63.44 O ATOM 1343 CB TYR A 95 8.945 6.725 1.623 1.00 4.30 C ATOM 1344 CG TYR A 95 9.838 7.941 1.773 1.00 61.42 C ATOM 1345 CD1 TYR A 95 10.914 8.134 0.884 1.00 31.34 C ATOM 1346 CD2 TYR A 95 9.592 8.884 2.789 1.00 64.22 C ATOM 1347 CE1 TYR A 95 11.714 9.285 0.982 1.00 5.14 C ATOM 1348 CE2 TYR A 95 10.373 10.045 2.877 1.00 14.53 C ATOM 1349 CZ TYR A 95 11.416 10.263 1.956 1.00 2.23 C ATOM 1350 OH TYR A 95 12.116 11.427 2.002 1.00 61.41 O ATOM 0 H TYR A 95 6.977 8.208 1.472 1.00 10.34 H new ATOM 0 HA TYR A 95 8.655 6.950 -0.491 1.00 63.14 H new ATOM 0 HB2 TYR A 95 8.323 6.632 2.514 1.00 4.30 H new ATOM 0 HB3 TYR A 95 9.569 5.833 1.575 1.00 4.30 H new ATOM 0 HD1 TYR A 95 11.124 7.395 0.125 1.00 31.34 H new ATOM 0 HD2 TYR A 95 8.800 8.713 3.502 1.00 64.22 H new ATOM 0 HE1 TYR A 95 12.553 9.421 0.316 1.00 5.14 H new ATOM 0 HE2 TYR A 95 10.175 10.772 3.651 1.00 14.53 H new ATOM 0 HH TYR A 95 11.777 11.984 2.734 1.00 61.41 H new ATOM 1359 N ARG A 96 6.239 5.081 0.855 1.00 1.21 N ATOM 1360 CA ARG A 96 5.574 3.777 0.692 1.00 52.13 C ATOM 1361 C ARG A 96 5.143 3.534 -0.757 1.00 64.15 C ATOM 1362 O ARG A 96 5.381 2.435 -1.259 1.00 5.53 O ATOM 1363 CB ARG A 96 4.355 3.613 1.620 1.00 62.24 C ATOM 1364 CG ARG A 96 4.696 3.544 3.112 1.00 73.12 C ATOM 1365 CD ARG A 96 3.505 3.154 3.996 1.00 73.44 C ATOM 1366 NE ARG A 96 3.889 3.051 5.417 1.00 11.14 N ATOM 1367 CZ ARG A 96 3.054 2.842 6.448 1.00 30.15 C ATOM 1368 NH1 ARG A 96 1.757 2.614 6.266 1.00 45.43 N ATOM 1369 NH2 ARG A 96 3.510 2.858 7.698 1.00 42.42 N ATOM 0 H ARG A 96 5.789 5.697 1.532 1.00 1.21 H new ATOM 0 HA ARG A 96 6.319 3.033 0.972 1.00 52.13 H new ATOM 0 HB2 ARG A 96 3.674 4.447 1.454 1.00 62.24 H new ATOM 0 HB3 ARG A 96 3.821 2.705 1.340 1.00 62.24 H new ATOM 0 HG2 ARG A 96 5.499 2.822 3.260 1.00 73.12 H new ATOM 0 HG3 ARG A 96 5.075 4.514 3.435 1.00 73.12 H new ATOM 0 HD2 ARG A 96 2.713 3.895 3.886 1.00 73.44 H new ATOM 0 HD3 ARG A 96 3.099 2.200 3.659 1.00 73.44 H new ATOM 0 HE ARG A 96 4.880 3.147 5.637 1.00 11.14 H new ATOM 0 HH11 ARG A 96 1.370 2.594 5.322 1.00 45.43 H new ATOM 0 HH12 ARG A 96 1.149 2.459 7.070 1.00 45.43 H new ATOM 0 HH21 ARG A 96 4.499 3.030 7.878 1.00 42.42 H new ATOM 0 HH22 ARG A 96 2.870 2.699 8.476 1.00 42.42 H new ATOM 1380 N ALA A 97 4.549 4.530 -1.420 1.00 44.21 N ATOM 1381 CA ALA A 97 4.190 4.500 -2.832 1.00 20.42 C ATOM 1382 C ALA A 97 5.429 4.166 -3.644 1.00 64.33 C ATOM 1383 O ALA A 97 5.476 3.139 -4.316 1.00 34.34 O ATOM 1384 CB ALA A 97 3.644 5.867 -3.260 1.00 33.33 C ATOM 0 H ALA A 97 4.298 5.409 -0.968 1.00 44.21 H new ATOM 0 HA ALA A 97 3.421 3.746 -3.001 1.00 20.42 H new ATOM 0 HB1 ALA A 97 3.378 5.838 -4.317 1.00 33.33 H new ATOM 0 HB2 ALA A 97 2.760 6.107 -2.669 1.00 33.33 H new ATOM 0 HB3 ALA A 97 4.406 6.630 -3.099 1.00 33.33 H new ATOM 1390 N ARG A 98 6.458 5.008 -3.528 1.00 60.21 N ATOM 1391 CA ARG A 98 7.690 4.872 -4.289 1.00 62.33 C ATOM 1392 C ARG A 98 8.403 3.540 -4.049 1.00 15.12 C ATOM 1393 O ARG A 98 9.157 3.095 -4.916 1.00 60.32 O ATOM 1394 CB ARG A 98 8.583 6.083 -3.984 1.00 34.43 C ATOM 1395 CG ARG A 98 8.227 7.261 -4.900 1.00 63.42 C ATOM 1396 CD ARG A 98 9.095 8.485 -4.590 1.00 62.41 C ATOM 1397 NE ARG A 98 9.258 9.334 -5.788 1.00 74.25 N ATOM 1398 CZ ARG A 98 10.317 9.394 -6.610 1.00 31.13 C ATOM 1399 NH1 ARG A 98 11.455 8.777 -6.329 1.00 33.40 N ATOM 1400 NH2 ARG A 98 10.256 10.083 -7.741 1.00 4.32 N ATOM 0 H ARG A 98 6.454 5.809 -2.896 1.00 60.21 H new ATOM 0 HA ARG A 98 7.447 4.858 -5.352 1.00 62.33 H new ATOM 0 HB2 ARG A 98 8.463 6.377 -2.941 1.00 34.43 H new ATOM 0 HB3 ARG A 98 9.630 5.813 -4.120 1.00 34.43 H new ATOM 0 HG2 ARG A 98 8.363 6.970 -5.941 1.00 63.42 H new ATOM 0 HG3 ARG A 98 7.175 7.517 -4.776 1.00 63.42 H new ATOM 0 HD2 ARG A 98 8.639 9.065 -3.788 1.00 62.41 H new ATOM 0 HD3 ARG A 98 10.073 8.161 -4.233 1.00 62.41 H new ATOM 0 HE ARG A 98 8.475 9.946 -6.017 1.00 74.25 H new ATOM 0 HH11 ARG A 98 11.544 8.238 -5.468 1.00 33.40 H new ATOM 0 HH12 ARG A 98 12.243 8.841 -6.974 1.00 33.40 H new ATOM 0 HH21 ARG A 98 9.398 10.574 -7.993 1.00 4.32 H new ATOM 0 HH22 ARG A 98 11.067 10.122 -8.359 1.00 4.32 H new ATOM 1411 N LEU A 99 8.178 2.902 -2.897 1.00 55.25 N ATOM 1412 CA LEU A 99 8.651 1.561 -2.583 1.00 22.11 C ATOM 1413 C LEU A 99 7.861 0.541 -3.385 1.00 34.04 C ATOM 1414 O LEU A 99 8.460 -0.206 -4.148 1.00 41.35 O ATOM 1415 CB LEU A 99 8.574 1.303 -1.066 1.00 50.45 C ATOM 1416 CG LEU A 99 9.786 0.517 -0.539 1.00 53.54 C ATOM 1417 CD1 LEU A 99 9.885 0.741 0.972 1.00 4.41 C ATOM 1418 CD2 LEU A 99 9.771 -0.971 -0.795 1.00 34.13 C ATOM 0 H LEU A 99 7.644 3.323 -2.136 1.00 55.25 H new ATOM 0 HA LEU A 99 9.699 1.465 -2.865 1.00 22.11 H new ATOM 0 HB2 LEU A 99 8.508 2.256 -0.542 1.00 50.45 H new ATOM 0 HB3 LEU A 99 7.661 0.751 -0.841 1.00 50.45 H new ATOM 0 HG LEU A 99 10.643 0.900 -1.094 1.00 53.54 H new ATOM 0 HD11 LEU A 99 10.740 0.191 1.366 1.00 4.41 H new ATOM 0 HD12 LEU A 99 10.013 1.804 1.175 1.00 4.41 H new ATOM 0 HD13 LEU A 99 8.973 0.387 1.453 1.00 4.41 H new ATOM 0 HD21 LEU A 99 10.673 -1.421 -0.380 1.00 34.13 H new ATOM 0 HD22 LEU A 99 8.894 -1.413 -0.321 1.00 34.13 H new ATOM 0 HD23 LEU A 99 9.735 -1.155 -1.869 1.00 34.13 H new ATOM 1429 N MET A 100 6.532 0.534 -3.240 1.00 21.00 N ATOM 1430 CA MET A 100 5.638 -0.368 -3.964 1.00 32.32 C ATOM 1431 C MET A 100 5.864 -0.261 -5.484 1.00 63.43 C ATOM 1432 O MET A 100 5.907 -1.274 -6.176 1.00 20.31 O ATOM 1433 CB MET A 100 4.182 -0.055 -3.608 1.00 53.51 C ATOM 1434 CG MET A 100 3.818 -0.453 -2.178 1.00 43.32 C ATOM 1435 SD MET A 100 3.778 -2.247 -1.971 1.00 20.30 S ATOM 1436 CE MET A 100 3.540 -2.379 -0.206 1.00 34.22 C ATOM 0 H MET A 100 6.042 1.165 -2.606 1.00 21.00 H new ATOM 0 HA MET A 100 5.860 -1.393 -3.666 1.00 32.32 H new ATOM 0 HB2 MET A 100 4.003 1.012 -3.739 1.00 53.51 H new ATOM 0 HB3 MET A 100 3.524 -0.576 -4.303 1.00 53.51 H new ATOM 0 HG2 MET A 100 4.542 -0.023 -1.486 1.00 43.32 H new ATOM 0 HG3 MET A 100 2.844 -0.036 -1.921 1.00 43.32 H new ATOM 0 HE1 MET A 100 3.495 -3.431 0.077 1.00 34.22 H new ATOM 0 HE2 MET A 100 4.372 -1.900 0.310 1.00 34.22 H new ATOM 0 HE3 MET A 100 2.608 -1.888 0.073 1.00 34.22 H new ATOM 1444 N LYS A 101 6.098 0.955 -5.990 1.00 53.31 N ATOM 1445 CA LYS A 101 6.455 1.227 -7.378 1.00 44.11 C ATOM 1446 C LYS A 101 7.646 0.383 -7.800 1.00 3.23 C ATOM 1447 O LYS A 101 7.548 -0.403 -8.736 1.00 40.54 O ATOM 1448 CB LYS A 101 6.691 2.741 -7.553 1.00 2.40 C ATOM 1449 CG LYS A 101 6.689 3.183 -9.024 1.00 35.14 C ATOM 1450 CD LYS A 101 8.022 3.146 -9.762 1.00 43.25 C ATOM 1451 CE LYS A 101 8.906 4.319 -9.342 1.00 12.52 C ATOM 1452 NZ LYS A 101 9.800 4.743 -10.440 1.00 33.01 N ATOM 0 H LYS A 101 6.041 1.801 -5.423 1.00 53.31 H new ATOM 0 HA LYS A 101 5.637 0.944 -8.040 1.00 44.11 H new ATOM 0 HB2 LYS A 101 5.918 3.288 -7.014 1.00 2.40 H new ATOM 0 HB3 LYS A 101 7.646 3.009 -7.100 1.00 2.40 H new ATOM 0 HG2 LYS A 101 5.985 2.552 -9.566 1.00 35.14 H new ATOM 0 HG3 LYS A 101 6.305 4.202 -9.070 1.00 35.14 H new ATOM 0 HD2 LYS A 101 8.533 2.206 -9.553 1.00 43.25 H new ATOM 0 HD3 LYS A 101 7.849 3.182 -10.838 1.00 43.25 H new ATOM 0 HE2 LYS A 101 8.280 5.157 -9.037 1.00 12.52 H new ATOM 0 HE3 LYS A 101 9.502 4.035 -8.475 1.00 12.52 H new ATOM 0 HZ1 LYS A 101 10.386 5.541 -10.122 1.00 33.01 H new ATOM 0 HZ2 LYS A 101 10.414 3.950 -10.714 1.00 33.01 H new ATOM 0 HZ3 LYS A 101 9.229 5.037 -11.258 1.00 33.01 H new ATOM 1462 N LYS A 102 8.775 0.544 -7.108 1.00 20.32 N ATOM 1463 CA LYS A 102 9.984 -0.205 -7.443 1.00 51.23 C ATOM 1464 C LYS A 102 9.813 -1.701 -7.220 1.00 52.23 C ATOM 1465 O LYS A 102 10.452 -2.494 -7.905 1.00 73.13 O ATOM 1466 CB LYS A 102 11.182 0.288 -6.643 1.00 1.24 C ATOM 1467 CG LYS A 102 12.479 0.037 -7.421 1.00 72.41 C ATOM 1468 CD LYS A 102 13.649 0.885 -6.918 1.00 24.20 C ATOM 1469 CE LYS A 102 14.911 0.339 -7.595 1.00 54.22 C ATOM 1470 NZ LYS A 102 16.125 1.102 -7.254 1.00 54.45 N ATOM 0 H LYS A 102 8.876 1.182 -6.318 1.00 20.32 H new ATOM 0 HA LYS A 102 10.164 -0.033 -8.504 1.00 51.23 H new ATOM 0 HB2 LYS A 102 11.075 1.352 -6.434 1.00 1.24 H new ATOM 0 HB3 LYS A 102 11.222 -0.224 -5.681 1.00 1.24 H new ATOM 0 HG2 LYS A 102 12.743 -1.018 -7.346 1.00 72.41 H new ATOM 0 HG3 LYS A 102 12.310 0.250 -8.477 1.00 72.41 H new ATOM 0 HD2 LYS A 102 13.500 1.936 -7.166 1.00 24.20 H new ATOM 0 HD3 LYS A 102 13.734 0.823 -5.833 1.00 24.20 H new ATOM 0 HE2 LYS A 102 15.050 -0.703 -7.305 1.00 54.22 H new ATOM 0 HE3 LYS A 102 14.772 0.353 -8.676 1.00 54.22 H new ATOM 0 HZ1 LYS A 102 16.945 0.686 -7.741 1.00 54.45 H new ATOM 0 HZ2 LYS A 102 16.009 2.091 -7.554 1.00 54.45 H new ATOM 0 HZ3 LYS A 102 16.279 1.068 -6.226 1.00 54.45 H new ATOM 1480 N ILE A 103 8.966 -2.093 -6.272 1.00 62.33 N ATOM 1481 CA ILE A 103 8.676 -3.495 -6.070 1.00 60.02 C ATOM 1482 C ILE A 103 8.096 -4.077 -7.364 1.00 62.24 C ATOM 1483 O ILE A 103 8.587 -5.103 -7.830 1.00 52.32 O ATOM 1484 CB ILE A 103 7.795 -3.679 -4.814 1.00 32.30 C ATOM 1485 CG1 ILE A 103 8.668 -3.493 -3.565 1.00 4.23 C ATOM 1486 CG2 ILE A 103 7.123 -5.055 -4.723 1.00 51.15 C ATOM 1487 CD1 ILE A 103 7.897 -3.113 -2.306 1.00 41.52 C ATOM 0 H ILE A 103 8.476 -1.460 -5.640 1.00 62.33 H new ATOM 0 HA ILE A 103 9.582 -4.065 -5.863 1.00 60.02 H new ATOM 0 HB ILE A 103 7.001 -2.935 -4.882 1.00 32.30 H new ATOM 0 HG12 ILE A 103 9.213 -4.418 -3.377 1.00 4.23 H new ATOM 0 HG13 ILE A 103 9.411 -2.721 -3.768 1.00 4.23 H new ATOM 0 HG21 ILE A 103 6.522 -5.107 -3.815 1.00 51.15 H new ATOM 0 HG22 ILE A 103 6.482 -5.205 -5.592 1.00 51.15 H new ATOM 0 HG23 ILE A 103 7.887 -5.832 -4.698 1.00 51.15 H new ATOM 0 HD11 ILE A 103 8.592 -3.002 -1.473 1.00 41.52 H new ATOM 0 HD12 ILE A 103 7.374 -2.171 -2.470 1.00 41.52 H new ATOM 0 HD13 ILE A 103 7.173 -3.894 -2.073 1.00 41.52 H new ATOM 1498 N ALA A 104 7.105 -3.418 -7.968 1.00 35.14 N ATOM 1499 CA ALA A 104 6.511 -3.869 -9.222 1.00 40.53 C ATOM 1500 C ALA A 104 7.474 -3.759 -10.412 1.00 15.10 C ATOM 1501 O ALA A 104 7.283 -4.451 -11.410 1.00 60.13 O ATOM 1502 CB ALA A 104 5.245 -3.055 -9.487 1.00 22.32 C ATOM 0 H ALA A 104 6.695 -2.559 -7.601 1.00 35.14 H new ATOM 0 HA ALA A 104 6.272 -4.927 -9.119 1.00 40.53 H new ATOM 0 HB1 ALA A 104 4.791 -3.383 -10.422 1.00 22.32 H new ATOM 0 HB2 ALA A 104 4.539 -3.203 -8.670 1.00 22.32 H new ATOM 0 HB3 ALA A 104 5.501 -1.998 -9.558 1.00 22.32 H new ATOM 1508 N ASP A 105 8.499 -2.914 -10.310 1.00 20.31 N ATOM 1509 CA ASP A 105 9.536 -2.704 -11.329 1.00 2.22 C ATOM 1510 C ASP A 105 10.315 -4.010 -11.496 1.00 34.41 C ATOM 1511 O ASP A 105 10.434 -4.579 -12.582 1.00 54.14 O ATOM 1512 CB ASP A 105 10.470 -1.562 -10.872 1.00 44.55 C ATOM 1513 CG ASP A 105 11.364 -0.946 -11.946 1.00 51.44 C ATOM 1514 OD1 ASP A 105 11.560 -1.540 -13.028 1.00 72.12 O ATOM 1515 OD2 ASP A 105 11.887 0.161 -11.669 1.00 63.31 O ATOM 0 H ASP A 105 8.639 -2.332 -9.484 1.00 20.31 H new ATOM 0 HA ASP A 105 9.093 -2.425 -12.285 1.00 2.22 H new ATOM 0 HB2 ASP A 105 9.857 -0.770 -10.442 1.00 44.55 H new ATOM 0 HB3 ASP A 105 11.107 -1.941 -10.073 1.00 44.55 H new ATOM 1519 N LEU A 106 10.774 -4.541 -10.362 1.00 0.14 N ATOM 1520 CA LEU A 106 11.657 -5.695 -10.246 1.00 22.34 C ATOM 1521 C LEU A 106 10.885 -7.002 -10.033 1.00 31.34 C ATOM 1522 O LEU A 106 11.467 -8.019 -9.629 1.00 3.11 O ATOM 1523 CB LEU A 106 12.660 -5.402 -9.118 1.00 73.33 C ATOM 1524 CG LEU A 106 13.581 -4.194 -9.371 1.00 53.22 C ATOM 1525 CD1 LEU A 106 14.298 -3.844 -8.064 1.00 44.45 C ATOM 1526 CD2 LEU A 106 14.599 -4.474 -10.480 1.00 1.30 C ATOM 0 H LEU A 106 10.524 -4.154 -9.452 1.00 0.14 H new ATOM 0 HA LEU A 106 12.196 -5.848 -11.181 1.00 22.34 H new ATOM 0 HB2 LEU A 106 12.107 -5.232 -8.194 1.00 73.33 H new ATOM 0 HB3 LEU A 106 13.278 -6.286 -8.962 1.00 73.33 H new ATOM 0 HG LEU A 106 12.972 -3.354 -9.705 1.00 53.22 H new ATOM 0 HD11 LEU A 106 14.955 -2.989 -8.227 1.00 44.45 H new ATOM 0 HD12 LEU A 106 13.561 -3.595 -7.300 1.00 44.45 H new ATOM 0 HD13 LEU A 106 14.889 -4.698 -7.733 1.00 44.45 H new ATOM 0 HD21 LEU A 106 15.228 -3.596 -10.626 1.00 1.30 H new ATOM 0 HD22 LEU A 106 15.221 -5.323 -10.197 1.00 1.30 H new ATOM 0 HD23 LEU A 106 14.073 -4.702 -11.407 1.00 1.30 H new ATOM 1537 N TRP A 107 9.575 -6.987 -10.287 1.00 3.40 N ATOM 1538 CA TRP A 107 8.761 -8.191 -10.272 1.00 40.41 C ATOM 1539 C TRP A 107 9.272 -9.182 -11.316 1.00 11.12 C ATOM 1540 O TRP A 107 9.136 -10.399 -11.077 1.00 72.24 O ATOM 1541 CB TRP A 107 7.271 -7.851 -10.446 1.00 51.32 C ATOM 1542 CG TRP A 107 6.332 -8.745 -9.691 1.00 13.33 C ATOM 1543 CD1 TRP A 107 5.407 -9.578 -10.216 1.00 35.00 C ATOM 1544 CD2 TRP A 107 6.121 -8.804 -8.250 1.00 15.54 C ATOM 1545 NE1 TRP A 107 4.736 -10.235 -9.208 1.00 2.12 N ATOM 1546 CE2 TRP A 107 5.086 -9.744 -7.974 1.00 34.40 C ATOM 1547 CE3 TRP A 107 6.640 -8.085 -7.155 1.00 3.12 C ATOM 1548 CZ2 TRP A 107 4.587 -9.964 -6.685 1.00 4.12 C ATOM 1549 CZ3 TRP A 107 6.135 -8.289 -5.853 1.00 72.05 C ATOM 1550 CH2 TRP A 107 5.112 -9.223 -5.615 1.00 32.42 C ATOM 0 H TRP A 107 9.055 -6.138 -10.508 1.00 3.40 H new ATOM 0 HA TRP A 107 8.850 -8.674 -9.299 1.00 40.41 H new ATOM 0 HB2 TRP A 107 7.107 -6.822 -10.126 1.00 51.32 H new ATOM 0 HB3 TRP A 107 7.023 -7.899 -11.506 1.00 51.32 H new ATOM 0 HD1 TRP A 107 5.221 -9.710 -11.272 1.00 35.00 H new ATOM 0 HE1 TRP A 107 4.066 -10.989 -9.359 1.00 2.12 H new ATOM 0 HE3 TRP A 107 7.433 -7.370 -7.314 1.00 3.12 H new ATOM 0 HZ2 TRP A 107 3.809 -10.694 -6.516 1.00 4.12 H new ATOM 0 HZ3 TRP A 107 6.540 -7.720 -5.029 1.00 72.05 H new ATOM 0 HH2 TRP A 107 4.732 -9.370 -4.615 1.00 32.42 H new