USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 605 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 72 THR OG1 : rot 180:sc= 0.557 USER MOD Set 1.2: A 75 GLN : amide:sc= 0.433 X(o=0.99,f=0.98) USER MOD Set 2.1: A 19 ASN : amide:sc= 0.775 K(o=1.2,f=-0.19) USER MOD Set 2.2: A 31 GLN : amide:sc= 0.417 K(o=1.2,f=-0.19) USER MOD Single : A 17 HIS : no HD1:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.21) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=-0.018) USER MOD Single : A 38 THR OG1 : rot 92:sc= 0.019 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -173:sc= 0 (180deg=-0.0454) USER MOD Single : A 45 LYS NZ :NH3+ 146:sc= 1.21 (180deg=1.13) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 CYS SG : rot 77:sc= 0.597 USER MOD Single : A 51 GLN : amide:sc= 0.339 X(o=0.34,f=-0.035) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0796 X(o=-0.08,f=-0.53) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0.728 K(o=0.73,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 159:sc= -0.392 (180deg=-1.35) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 244 N HIS A 17 65.248 21.538 46.864 1.00 1.00 N ATOM 245 CA HIS A 17 65.949 22.305 45.872 1.00 1.00 C ATOM 246 C HIS A 17 67.216 21.645 45.423 1.00 1.00 C ATOM 247 O HIS A 17 67.972 21.101 46.226 1.00 1.00 O ATOM 248 CB HIS A 17 66.374 23.701 46.365 1.00 1.00 C ATOM 249 CG HIS A 17 65.272 24.565 46.905 1.00 1.00 C ATOM 250 ND1 HIS A 17 65.532 25.746 47.548 1.00 1.00 N ATOM 251 CD2 HIS A 17 63.923 24.474 46.787 1.00 1.00 C ATOM 252 CE1 HIS A 17 64.389 26.356 47.811 1.00 1.00 C ATOM 253 NE2 HIS A 17 63.400 25.605 47.357 1.00 1.00 N ATOM 0 HA HIS A 17 65.225 22.383 45.061 1.00 1.00 H new ATOM 0 HB2 HIS A 17 67.128 23.577 47.143 1.00 1.00 H new ATOM 0 HB3 HIS A 17 66.852 24.228 45.539 1.00 1.00 H new ATOM 0 HD2 HIS A 17 63.369 23.666 46.332 1.00 1.00 H new ATOM 0 HE1 HIS A 17 64.281 27.307 48.312 1.00 1.00 H new ATOM 0 HE2 HIS A 17 62.407 25.831 47.421 1.00 1.00 H new ATOM 262 N ILE A 18 67.510 21.716 44.113 1.00 1.00 N ATOM 263 CA ILE A 18 68.748 21.336 43.497 1.00 1.00 C ATOM 264 C ILE A 18 69.008 22.318 42.398 1.00 1.00 C ATOM 265 O ILE A 18 68.123 23.046 41.953 1.00 1.00 O ATOM 266 CB ILE A 18 68.817 19.936 42.941 1.00 1.00 C ATOM 267 CG1 ILE A 18 67.720 19.615 41.908 1.00 1.00 C ATOM 268 CG2 ILE A 18 68.809 18.920 44.097 1.00 1.00 C ATOM 269 CD1 ILE A 18 68.075 18.374 41.087 1.00 1.00 C ATOM 0 H ILE A 18 66.834 22.064 43.433 1.00 1.00 H new ATOM 0 HA ILE A 18 69.501 21.344 44.285 1.00 1.00 H new ATOM 0 HB ILE A 18 69.754 19.862 42.389 1.00 1.00 H new ATOM 0 HG12 ILE A 18 66.771 19.456 42.420 1.00 1.00 H new ATOM 0 HG13 ILE A 18 67.584 20.467 41.242 1.00 1.00 H new ATOM 0 HG21 ILE A 18 68.859 17.909 43.693 1.00 1.00 H new ATOM 0 HG22 ILE A 18 69.670 19.096 44.742 1.00 1.00 H new ATOM 0 HG23 ILE A 18 67.893 19.035 44.676 1.00 1.00 H new ATOM 0 HD11 ILE A 18 67.281 18.174 40.367 1.00 1.00 H new ATOM 0 HD12 ILE A 18 69.011 18.545 40.556 1.00 1.00 H new ATOM 0 HD13 ILE A 18 68.186 17.517 41.752 1.00 1.00 H new ATOM 281 N ASN A 19 70.259 22.439 41.924 1.00 1.00 N ATOM 282 CA ASN A 19 70.604 23.293 40.827 1.00 1.00 C ATOM 283 C ASN A 19 71.138 22.456 39.708 1.00 1.00 C ATOM 284 O ASN A 19 71.805 21.445 39.915 1.00 1.00 O ATOM 285 CB ASN A 19 71.647 24.377 41.159 1.00 1.00 C ATOM 286 CG ASN A 19 71.277 25.240 42.357 1.00 1.00 C ATOM 287 OD1 ASN A 19 70.886 26.397 42.201 1.00 1.00 O ATOM 288 ND2 ASN A 19 71.457 24.702 43.591 1.00 1.00 N ATOM 0 H ASN A 19 71.054 21.931 42.312 1.00 1.00 H new ATOM 0 HA ASN A 19 69.687 23.816 40.557 1.00 1.00 H new ATOM 0 HB2 ASN A 19 72.607 23.898 41.351 1.00 1.00 H new ATOM 0 HB3 ASN A 19 71.780 25.019 40.288 1.00 1.00 H new ATOM 0 HD21 ASN A 19 71.267 25.260 44.423 1.00 1.00 H new ATOM 0 HD22 ASN A 19 71.782 23.740 43.685 1.00 1.00 H new ATOM 295 N LEU A 20 70.861 22.830 38.448 1.00 1.00 N ATOM 296 CA LEU A 20 71.534 22.226 37.334 1.00 1.00 C ATOM 297 C LEU A 20 72.099 23.333 36.496 1.00 1.00 C ATOM 298 O LEU A 20 71.504 24.406 36.408 1.00 1.00 O ATOM 299 CB LEU A 20 70.631 21.254 36.544 1.00 1.00 C ATOM 300 CG LEU A 20 69.778 21.857 35.412 1.00 1.00 C ATOM 301 CD1 LEU A 20 69.060 20.786 34.575 1.00 1.00 C ATOM 302 CD2 LEU A 20 68.692 22.826 35.902 1.00 1.00 C ATOM 0 H LEU A 20 70.177 23.544 38.197 1.00 1.00 H new ATOM 0 HA LEU A 20 72.346 21.590 37.687 1.00 1.00 H new ATOM 0 HB2 LEU A 20 71.263 20.477 36.115 1.00 1.00 H new ATOM 0 HB3 LEU A 20 69.960 20.765 37.250 1.00 1.00 H new ATOM 0 HG LEU A 20 70.510 22.396 34.811 1.00 1.00 H new ATOM 0 HD11 LEU A 20 68.474 21.268 33.792 1.00 1.00 H new ATOM 0 HD12 LEU A 20 69.798 20.124 34.121 1.00 1.00 H new ATOM 0 HD13 LEU A 20 68.399 20.205 35.218 1.00 1.00 H new ATOM 0 HD21 LEU A 20 68.134 23.209 35.048 1.00 1.00 H new ATOM 0 HD22 LEU A 20 68.013 22.301 36.574 1.00 1.00 H new ATOM 0 HD23 LEU A 20 69.158 23.656 36.433 1.00 1.00 H new ATOM 314 N LYS A 21 73.265 23.153 35.850 1.00 1.00 N ATOM 315 CA LYS A 21 73.734 24.024 34.810 1.00 1.00 C ATOM 316 C LYS A 21 73.615 23.380 33.468 1.00 1.00 C ATOM 317 O LYS A 21 73.691 22.162 33.318 1.00 1.00 O ATOM 318 CB LYS A 21 75.173 24.535 35.023 1.00 1.00 C ATOM 319 CG LYS A 21 76.296 23.564 34.639 1.00 1.00 C ATOM 320 CD LYS A 21 77.679 23.997 35.133 1.00 1.00 C ATOM 321 CE LYS A 21 77.886 23.723 36.626 1.00 1.00 C ATOM 322 NZ LYS A 21 79.178 24.274 37.083 1.00 1.00 N ATOM 0 H LYS A 21 73.901 22.382 36.054 1.00 1.00 H new ATOM 0 HA LYS A 21 73.083 24.897 34.854 1.00 1.00 H new ATOM 0 HB2 LYS A 21 75.300 25.452 34.448 1.00 1.00 H new ATOM 0 HB3 LYS A 21 75.292 24.799 36.074 1.00 1.00 H new ATOM 0 HG2 LYS A 21 76.067 22.579 35.045 1.00 1.00 H new ATOM 0 HG3 LYS A 21 76.322 23.464 33.554 1.00 1.00 H new ATOM 0 HD2 LYS A 21 78.445 23.472 34.562 1.00 1.00 H new ATOM 0 HD3 LYS A 21 77.812 25.062 34.941 1.00 1.00 H new ATOM 0 HE2 LYS A 21 77.072 24.168 37.199 1.00 1.00 H new ATOM 0 HE3 LYS A 21 77.857 22.649 36.811 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 79.300 24.078 38.097 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 79.953 23.831 36.549 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 79.193 25.302 36.925 1.00 1.00 H new ATOM 336 N VAL A 22 73.424 24.206 32.425 1.00 1.00 N ATOM 337 CA VAL A 22 73.435 23.788 31.054 1.00 1.00 C ATOM 338 C VAL A 22 74.542 24.530 30.377 1.00 1.00 C ATOM 339 O VAL A 22 74.629 25.755 30.469 1.00 1.00 O ATOM 340 CB VAL A 22 72.090 23.961 30.397 1.00 1.00 C ATOM 341 CG1 VAL A 22 71.625 25.428 30.345 1.00 1.00 C ATOM 342 CG2 VAL A 22 72.105 23.356 28.984 1.00 1.00 C ATOM 0 H VAL A 22 73.255 25.205 32.539 1.00 1.00 H new ATOM 0 HA VAL A 22 73.624 22.718 30.974 1.00 1.00 H new ATOM 0 HB VAL A 22 71.370 23.428 31.017 1.00 1.00 H new ATOM 0 HG11 VAL A 22 70.650 25.484 29.860 1.00 1.00 H new ATOM 0 HG12 VAL A 22 71.549 25.822 31.359 1.00 1.00 H new ATOM 0 HG13 VAL A 22 72.346 26.018 29.779 1.00 1.00 H new ATOM 0 HG21 VAL A 22 71.127 23.488 28.521 1.00 1.00 H new ATOM 0 HG22 VAL A 22 72.862 23.858 28.381 1.00 1.00 H new ATOM 0 HG23 VAL A 22 72.336 22.293 29.046 1.00 1.00 H new ATOM 352 N ALA A 23 75.476 23.799 29.740 1.00 1.00 N ATOM 353 CA ALA A 23 76.685 24.356 29.208 1.00 1.00 C ATOM 354 C ALA A 23 76.897 24.009 27.767 1.00 1.00 C ATOM 355 O ALA A 23 76.820 22.858 27.334 1.00 1.00 O ATOM 356 CB ALA A 23 77.888 23.872 30.038 1.00 1.00 C ATOM 0 H ALA A 23 75.389 22.794 29.590 1.00 1.00 H new ATOM 0 HA ALA A 23 76.593 25.440 29.269 1.00 1.00 H new ATOM 0 HB1 ALA A 23 78.805 24.297 29.631 1.00 1.00 H new ATOM 0 HB2 ALA A 23 77.768 24.192 31.073 1.00 1.00 H new ATOM 0 HB3 ALA A 23 77.943 22.784 29.998 1.00 1.00 H new ATOM 362 N GLY A 24 77.187 25.043 26.955 1.00 1.00 N ATOM 363 CA GLY A 24 77.382 24.912 25.540 1.00 1.00 C ATOM 364 C GLY A 24 78.772 24.593 25.103 1.00 1.00 C ATOM 365 O GLY A 24 79.718 24.492 25.883 1.00 1.00 O ATOM 0 H GLY A 24 77.289 26.000 27.292 1.00 1.00 H new ATOM 0 HA2 GLY A 24 76.717 24.131 25.171 1.00 1.00 H new ATOM 0 HA3 GLY A 24 77.076 25.843 25.062 1.00 1.00 H new ATOM 416 N VAL A 29 76.254 29.519 29.108 1.00 1.00 N ATOM 417 CA VAL A 29 75.912 28.751 30.272 1.00 1.00 C ATOM 418 C VAL A 29 74.784 29.391 31.023 1.00 1.00 C ATOM 419 O VAL A 29 74.740 30.612 31.171 1.00 1.00 O ATOM 420 CB VAL A 29 77.097 28.567 31.189 1.00 1.00 C ATOM 421 CG1 VAL A 29 76.754 27.771 32.461 1.00 1.00 C ATOM 422 CG2 VAL A 29 78.261 27.855 30.478 1.00 1.00 C ATOM 0 HA VAL A 29 75.595 27.768 29.923 1.00 1.00 H new ATOM 0 HB VAL A 29 77.393 29.576 31.475 1.00 1.00 H new ATOM 0 HG11 VAL A 29 77.646 27.672 33.080 1.00 1.00 H new ATOM 0 HG12 VAL A 29 75.980 28.296 33.021 1.00 1.00 H new ATOM 0 HG13 VAL A 29 76.393 26.781 32.184 1.00 1.00 H new ATOM 0 HG21 VAL A 29 79.095 27.741 31.170 1.00 1.00 H new ATOM 0 HG22 VAL A 29 77.934 26.872 30.139 1.00 1.00 H new ATOM 0 HG23 VAL A 29 78.580 28.447 29.620 1.00 1.00 H new ATOM 432 N VAL A 30 73.829 28.602 31.551 1.00 1.00 N ATOM 433 CA VAL A 30 72.896 29.022 32.562 1.00 1.00 C ATOM 434 C VAL A 30 72.981 28.002 33.654 1.00 1.00 C ATOM 435 O VAL A 30 73.022 26.810 33.360 1.00 1.00 O ATOM 436 CB VAL A 30 71.467 29.135 32.083 1.00 1.00 C ATOM 437 CG1 VAL A 30 70.390 28.870 33.151 1.00 1.00 C ATOM 438 CG2 VAL A 30 71.175 30.567 31.604 1.00 1.00 C ATOM 0 H VAL A 30 73.699 27.632 31.264 1.00 1.00 H new ATOM 0 HA VAL A 30 73.165 30.027 32.887 1.00 1.00 H new ATOM 0 HB VAL A 30 71.405 28.374 31.305 1.00 1.00 H new ATOM 0 HG11 VAL A 30 69.401 28.976 32.705 1.00 1.00 H new ATOM 0 HG12 VAL A 30 70.505 27.859 33.541 1.00 1.00 H new ATOM 0 HG13 VAL A 30 70.500 29.587 33.964 1.00 1.00 H new ATOM 0 HG21 VAL A 30 70.142 30.633 31.262 1.00 1.00 H new ATOM 0 HG22 VAL A 30 71.330 31.265 32.427 1.00 1.00 H new ATOM 0 HG23 VAL A 30 71.846 30.820 30.783 1.00 1.00 H new ATOM 448 N GLN A 31 72.984 28.400 34.943 1.00 1.00 N ATOM 449 CA GLN A 31 72.678 27.502 36.021 1.00 1.00 C ATOM 450 C GLN A 31 71.460 27.942 36.763 1.00 1.00 C ATOM 451 O GLN A 31 71.194 29.119 36.997 1.00 1.00 O ATOM 452 CB GLN A 31 73.842 27.187 36.980 1.00 1.00 C ATOM 453 CG GLN A 31 73.955 27.977 38.293 1.00 1.00 C ATOM 454 CD GLN A 31 73.325 27.278 39.495 1.00 1.00 C ATOM 455 OE1 GLN A 31 73.978 26.467 40.151 1.00 1.00 O ATOM 456 NE2 GLN A 31 72.043 27.587 39.826 1.00 1.00 N ATOM 0 H GLN A 31 73.200 29.351 35.241 1.00 1.00 H new ATOM 0 HA GLN A 31 72.475 26.550 35.530 1.00 1.00 H new ATOM 0 HB2 GLN A 31 73.782 26.129 37.236 1.00 1.00 H new ATOM 0 HB3 GLN A 31 74.771 27.329 36.429 1.00 1.00 H new ATOM 0 HG2 GLN A 31 75.008 28.162 38.504 1.00 1.00 H new ATOM 0 HG3 GLN A 31 73.481 28.950 38.162 1.00 1.00 H new ATOM 0 HE21 GLN A 31 71.521 28.262 39.268 1.00 1.00 H new ATOM 0 HE22 GLN A 31 71.604 27.144 40.633 1.00 1.00 H new ATOM 465 N PHE A 32 70.621 26.969 37.147 1.00 1.00 N ATOM 466 CA PHE A 32 69.234 27.231 37.374 1.00 1.00 C ATOM 467 C PHE A 32 68.838 26.453 38.585 1.00 1.00 C ATOM 468 O PHE A 32 69.269 25.315 38.758 1.00 1.00 O ATOM 469 CB PHE A 32 68.679 26.696 36.040 1.00 1.00 C ATOM 470 CG PHE A 32 67.220 26.503 35.829 1.00 1.00 C ATOM 471 CD1 PHE A 32 66.624 25.373 36.353 1.00 1.00 C ATOM 472 CD2 PHE A 32 66.511 27.299 34.949 1.00 1.00 C ATOM 473 CE1 PHE A 32 65.335 25.041 35.992 1.00 1.00 C ATOM 474 CE2 PHE A 32 65.181 27.035 34.679 1.00 1.00 C ATOM 475 CZ PHE A 32 64.610 25.877 35.167 1.00 1.00 C ATOM 0 H PHE A 32 70.900 26.000 37.301 1.00 1.00 H new ATOM 0 HA PHE A 32 68.901 28.248 37.580 1.00 1.00 H new ATOM 0 HB2 PHE A 32 69.026 27.372 35.258 1.00 1.00 H new ATOM 0 HB3 PHE A 32 69.155 25.732 35.862 1.00 1.00 H new ATOM 0 HD1 PHE A 32 67.168 24.748 37.046 1.00 1.00 H new ATOM 0 HD2 PHE A 32 67.000 28.134 34.469 1.00 1.00 H new ATOM 0 HE1 PHE A 32 64.892 24.125 36.355 1.00 1.00 H new ATOM 0 HE2 PHE A 32 64.595 27.727 34.093 1.00 1.00 H new ATOM 0 HZ PHE A 32 63.594 25.625 34.903 1.00 1.00 H new ATOM 485 N LYS A 33 67.998 27.036 39.459 1.00 1.00 N ATOM 486 CA LYS A 33 67.709 26.447 40.734 1.00 1.00 C ATOM 487 C LYS A 33 66.273 26.047 40.826 1.00 1.00 C ATOM 488 O LYS A 33 65.362 26.872 40.910 1.00 1.00 O ATOM 489 CB LYS A 33 67.843 27.567 41.777 1.00 1.00 C ATOM 490 CG LYS A 33 67.821 27.106 43.239 1.00 1.00 C ATOM 491 CD LYS A 33 67.768 28.281 44.221 1.00 1.00 C ATOM 492 CE LYS A 33 66.369 28.887 44.354 1.00 1.00 C ATOM 493 NZ LYS A 33 66.444 30.224 44.981 1.00 1.00 N ATOM 0 H LYS A 33 67.517 27.918 39.284 1.00 1.00 H new ATOM 0 HA LYS A 33 68.369 25.592 40.880 1.00 1.00 H new ATOM 0 HB2 LYS A 33 68.776 28.101 41.595 1.00 1.00 H new ATOM 0 HB3 LYS A 33 67.033 28.281 41.626 1.00 1.00 H new ATOM 0 HG2 LYS A 33 66.957 26.461 43.401 1.00 1.00 H new ATOM 0 HG3 LYS A 33 68.708 26.506 43.442 1.00 1.00 H new ATOM 0 HD2 LYS A 33 68.107 27.944 45.201 1.00 1.00 H new ATOM 0 HD3 LYS A 33 68.463 29.054 43.892 1.00 1.00 H new ATOM 0 HE2 LYS A 33 65.905 28.965 43.371 1.00 1.00 H new ATOM 0 HE3 LYS A 33 65.737 28.232 44.954 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 65.585 30.764 44.751 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 66.522 30.120 46.013 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 67.278 30.730 44.620 1.00 1.00 H new ATOM 507 N ILE A 34 66.107 24.720 40.948 1.00 1.00 N ATOM 508 CA ILE A 34 64.944 23.973 40.574 1.00 1.00 C ATOM 509 C ILE A 34 64.624 22.903 41.565 1.00 1.00 C ATOM 510 O ILE A 34 65.440 22.417 42.345 1.00 1.00 O ATOM 511 CB ILE A 34 65.098 23.412 39.182 1.00 1.00 C ATOM 512 CG1 ILE A 34 64.134 22.291 38.742 1.00 1.00 C ATOM 513 CG2 ILE A 34 66.546 22.926 38.994 1.00 1.00 C ATOM 514 CD1 ILE A 34 64.089 21.908 37.262 1.00 1.00 C ATOM 0 H ILE A 34 66.838 24.125 41.336 1.00 1.00 H new ATOM 0 HA ILE A 34 64.097 24.659 40.571 1.00 1.00 H new ATOM 0 HB ILE A 34 64.831 24.250 38.538 1.00 1.00 H new ATOM 0 HG12 ILE A 34 64.386 21.395 39.309 1.00 1.00 H new ATOM 0 HG13 ILE A 34 63.127 22.584 39.040 1.00 1.00 H new ATOM 0 HG21 ILE A 34 66.666 22.519 37.990 1.00 1.00 H new ATOM 0 HG22 ILE A 34 67.231 23.763 39.130 1.00 1.00 H new ATOM 0 HG23 ILE A 34 66.768 22.152 39.728 1.00 1.00 H new ATOM 0 HD11 ILE A 34 63.364 21.107 37.115 1.00 1.00 H new ATOM 0 HD12 ILE A 34 63.796 22.775 36.670 1.00 1.00 H new ATOM 0 HD13 ILE A 34 65.075 21.568 36.944 1.00 1.00 H new ATOM 526 N LYS A 35 63.331 22.547 41.582 1.00 1.00 N ATOM 527 CA LYS A 35 62.833 21.462 42.381 1.00 1.00 C ATOM 528 C LYS A 35 62.637 20.219 41.569 1.00 1.00 C ATOM 529 O LYS A 35 62.550 20.221 40.343 1.00 1.00 O ATOM 530 CB LYS A 35 61.587 21.801 43.220 1.00 1.00 C ATOM 531 CG LYS A 35 61.776 23.002 44.155 1.00 1.00 C ATOM 532 CD LYS A 35 61.461 24.366 43.531 1.00 1.00 C ATOM 533 CE LYS A 35 60.001 24.461 43.087 1.00 1.00 C ATOM 534 NZ LYS A 35 59.746 25.789 42.493 1.00 1.00 N ATOM 0 H LYS A 35 62.612 23.018 41.032 1.00 1.00 H new ATOM 0 HA LYS A 35 63.617 21.270 43.113 1.00 1.00 H new ATOM 0 HB2 LYS A 35 60.753 22.004 42.548 1.00 1.00 H new ATOM 0 HB3 LYS A 35 61.313 20.929 43.815 1.00 1.00 H new ATOM 0 HG2 LYS A 35 61.141 22.865 45.031 1.00 1.00 H new ATOM 0 HG3 LYS A 35 62.808 23.010 44.507 1.00 1.00 H new ATOM 0 HD2 LYS A 35 61.674 25.154 44.253 1.00 1.00 H new ATOM 0 HD3 LYS A 35 62.114 24.534 42.674 1.00 1.00 H new ATOM 0 HE2 LYS A 35 59.780 23.679 42.361 1.00 1.00 H new ATOM 0 HE3 LYS A 35 59.341 24.300 43.939 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 58.752 25.850 42.192 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 59.940 26.528 43.199 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 60.366 25.926 41.669 1.00 1.00 H new ATOM 548 N ARG A 36 62.637 19.053 42.239 1.00 1.00 N ATOM 549 CA ARG A 36 62.991 17.797 41.640 1.00 1.00 C ATOM 550 C ARG A 36 62.033 17.196 40.654 1.00 1.00 C ATOM 551 O ARG A 36 62.424 16.412 39.791 1.00 1.00 O ATOM 552 CB ARG A 36 63.362 16.814 42.767 1.00 1.00 C ATOM 553 CG ARG A 36 64.124 15.561 42.323 1.00 1.00 C ATOM 554 CD ARG A 36 64.737 14.805 43.505 1.00 1.00 C ATOM 555 NE ARG A 36 65.461 13.623 42.956 1.00 1.00 N ATOM 556 CZ ARG A 36 65.009 12.345 42.999 1.00 1.00 C ATOM 557 NH1 ARG A 36 63.757 12.039 43.418 1.00 1.00 N ATOM 558 NH2 ARG A 36 65.819 11.335 42.598 1.00 1.00 N ATOM 0 H ARG A 36 62.384 18.978 43.224 1.00 1.00 H new ATOM 0 HA ARG A 36 63.840 18.013 40.992 1.00 1.00 H new ATOM 0 HB2 ARG A 36 63.966 17.344 43.504 1.00 1.00 H new ATOM 0 HB3 ARG A 36 62.447 16.502 43.270 1.00 1.00 H new ATOM 0 HG2 ARG A 36 63.447 14.899 41.783 1.00 1.00 H new ATOM 0 HG3 ARG A 36 64.914 15.846 41.628 1.00 1.00 H new ATOM 0 HD2 ARG A 36 65.420 15.449 44.059 1.00 1.00 H new ATOM 0 HD3 ARG A 36 63.961 14.489 44.202 1.00 1.00 H new ATOM 0 HE ARG A 36 66.365 13.788 42.514 1.00 1.00 H new ATOM 0 HH11 ARG A 36 63.123 12.781 43.714 1.00 1.00 H new ATOM 0 HH12 ARG A 36 63.449 11.067 43.438 1.00 1.00 H new ATOM 0 HH21 ARG A 36 66.762 11.538 42.267 1.00 1.00 H new ATOM 0 HH22 ARG A 36 65.486 10.371 42.628 1.00 1.00 H new ATOM 572 N HIS A 37 60.736 17.552 40.703 1.00 1.00 N ATOM 573 CA HIS A 37 59.752 17.051 39.785 1.00 1.00 C ATOM 574 C HIS A 37 59.611 17.915 38.571 1.00 1.00 C ATOM 575 O HIS A 37 59.091 17.477 37.546 1.00 1.00 O ATOM 576 CB HIS A 37 58.379 16.909 40.473 1.00 1.00 C ATOM 577 CG HIS A 37 57.290 16.304 39.634 1.00 1.00 C ATOM 578 ND1 HIS A 37 57.302 15.002 39.212 1.00 1.00 N ATOM 579 CD2 HIS A 37 56.190 16.882 39.087 1.00 1.00 C ATOM 580 CE1 HIS A 37 56.258 14.791 38.432 1.00 1.00 C ATOM 581 NE2 HIS A 37 55.571 15.916 38.337 1.00 1.00 N ATOM 0 H HIS A 37 60.360 18.201 41.394 1.00 1.00 H new ATOM 0 HA HIS A 37 60.104 16.071 39.463 1.00 1.00 H new ATOM 0 HB2 HIS A 37 58.503 16.300 41.369 1.00 1.00 H new ATOM 0 HB3 HIS A 37 58.054 17.896 40.801 1.00 1.00 H new ATOM 0 HD2 HIS A 37 55.866 17.904 39.217 1.00 1.00 H new ATOM 0 HE1 HIS A 37 56.008 13.856 37.952 1.00 1.00 H new ATOM 0 HE2 HIS A 37 54.718 16.045 37.793 1.00 1.00 H new ATOM 590 N THR A 38 60.055 19.184 38.642 1.00 1.00 N ATOM 591 CA THR A 38 59.936 20.186 37.619 1.00 1.00 C ATOM 592 C THR A 38 60.623 19.834 36.333 1.00 1.00 C ATOM 593 O THR A 38 61.720 19.280 36.394 1.00 1.00 O ATOM 594 CB THR A 38 60.511 21.494 38.092 1.00 1.00 C ATOM 595 OG1 THR A 38 60.022 21.854 39.376 1.00 1.00 O ATOM 596 CG2 THR A 38 60.217 22.684 37.165 1.00 1.00 C ATOM 0 H THR A 38 60.531 19.537 39.472 1.00 1.00 H new ATOM 0 HA THR A 38 58.866 20.259 37.423 1.00 1.00 H new ATOM 0 HB THR A 38 61.585 21.308 38.108 1.00 1.00 H new ATOM 0 HG1 THR A 38 60.629 21.512 40.065 1.00 1.00 H new ATOM 0 HG21 THR A 38 60.666 23.587 37.578 1.00 1.00 H new ATOM 0 HG22 THR A 38 60.637 22.489 36.178 1.00 1.00 H new ATOM 0 HG23 THR A 38 59.139 22.821 37.080 1.00 1.00 H new ATOM 604 N PRO A 39 60.133 20.088 35.148 1.00 1.00 N ATOM 605 CA PRO A 39 60.846 19.775 33.934 1.00 1.00 C ATOM 606 C PRO A 39 62.079 20.582 33.661 1.00 1.00 C ATOM 607 O PRO A 39 62.185 21.749 34.034 1.00 1.00 O ATOM 608 CB PRO A 39 59.811 19.981 32.825 1.00 1.00 C ATOM 609 CG PRO A 39 58.784 20.952 33.424 1.00 1.00 C ATOM 610 CD PRO A 39 58.759 20.498 34.888 1.00 1.00 C ATOM 0 HA PRO A 39 61.242 18.762 34.008 1.00 1.00 H new ATOM 0 HB2 PRO A 39 60.270 20.395 31.927 1.00 1.00 H new ATOM 0 HB3 PRO A 39 59.344 19.038 32.539 1.00 1.00 H new ATOM 0 HG2 PRO A 39 59.093 21.992 33.321 1.00 1.00 H new ATOM 0 HG3 PRO A 39 57.807 20.862 32.949 1.00 1.00 H new ATOM 0 HD2 PRO A 39 58.450 21.305 35.552 1.00 1.00 H new ATOM 0 HD3 PRO A 39 58.060 19.675 35.040 1.00 1.00 H new ATOM 618 N LEU A 40 63.039 19.986 32.928 1.00 1.00 N ATOM 619 CA LEU A 40 64.192 20.616 32.352 1.00 1.00 C ATOM 620 C LEU A 40 63.836 21.544 31.234 1.00 1.00 C ATOM 621 O LEU A 40 64.584 22.457 30.895 1.00 1.00 O ATOM 622 CB LEU A 40 65.383 19.708 31.993 1.00 1.00 C ATOM 623 CG LEU A 40 65.248 18.889 30.699 1.00 1.00 C ATOM 624 CD1 LEU A 40 66.562 18.924 29.906 1.00 1.00 C ATOM 625 CD2 LEU A 40 64.847 17.445 31.036 1.00 1.00 C ATOM 0 H LEU A 40 63.006 18.987 32.722 1.00 1.00 H new ATOM 0 HA LEU A 40 64.578 21.204 33.185 1.00 1.00 H new ATOM 0 HB2 LEU A 40 66.275 20.329 31.914 1.00 1.00 H new ATOM 0 HB3 LEU A 40 65.548 19.017 32.820 1.00 1.00 H new ATOM 0 HG LEU A 40 64.468 19.328 30.077 1.00 1.00 H new ATOM 0 HD11 LEU A 40 66.451 18.340 28.992 1.00 1.00 H new ATOM 0 HD12 LEU A 40 66.805 19.955 29.650 1.00 1.00 H new ATOM 0 HD13 LEU A 40 67.364 18.502 30.512 1.00 1.00 H new ATOM 0 HD21 LEU A 40 64.753 16.869 30.115 1.00 1.00 H new ATOM 0 HD22 LEU A 40 65.611 16.994 31.670 1.00 1.00 H new ATOM 0 HD23 LEU A 40 63.893 17.446 31.563 1.00 1.00 H new ATOM 637 N SER A 41 62.698 21.341 30.546 1.00 1.00 N ATOM 638 CA SER A 41 62.221 22.258 29.549 1.00 1.00 C ATOM 639 C SER A 41 62.109 23.683 30.000 1.00 1.00 C ATOM 640 O SER A 41 62.282 24.602 29.202 1.00 1.00 O ATOM 641 CB SER A 41 60.893 21.839 28.891 1.00 1.00 C ATOM 642 OG SER A 41 59.790 21.876 29.789 1.00 1.00 O ATOM 0 H SER A 41 62.097 20.528 30.682 1.00 1.00 H new ATOM 0 HA SER A 41 63.015 22.205 28.804 1.00 1.00 H new ATOM 0 HB2 SER A 41 60.689 22.498 28.047 1.00 1.00 H new ATOM 0 HB3 SER A 41 60.995 20.830 28.491 1.00 1.00 H new ATOM 0 HG SER A 41 58.975 21.603 29.318 1.00 1.00 H new ATOM 648 N LYS A 42 61.862 23.960 31.296 1.00 1.00 N ATOM 649 CA LYS A 42 61.825 25.278 31.841 1.00 1.00 C ATOM 650 C LYS A 42 63.188 25.897 31.821 1.00 1.00 C ATOM 651 O LYS A 42 63.366 27.082 31.542 1.00 1.00 O ATOM 652 CB LYS A 42 61.272 25.044 33.258 1.00 1.00 C ATOM 653 CG LYS A 42 61.102 26.318 34.079 1.00 1.00 C ATOM 654 CD LYS A 42 60.184 27.335 33.403 1.00 1.00 C ATOM 655 CE LYS A 42 60.360 28.642 34.167 1.00 1.00 C ATOM 656 NZ LYS A 42 59.579 29.726 33.540 1.00 1.00 N ATOM 0 H LYS A 42 61.681 23.234 31.989 1.00 1.00 H new ATOM 0 HA LYS A 42 61.211 25.983 31.282 1.00 1.00 H new ATOM 0 HB2 LYS A 42 60.307 24.543 33.182 1.00 1.00 H new ATOM 0 HB3 LYS A 42 61.941 24.368 33.790 1.00 1.00 H new ATOM 0 HG2 LYS A 42 60.697 26.063 35.058 1.00 1.00 H new ATOM 0 HG3 LYS A 42 62.079 26.771 34.246 1.00 1.00 H new ATOM 0 HD2 LYS A 42 60.448 27.460 32.353 1.00 1.00 H new ATOM 0 HD3 LYS A 42 59.146 27.003 33.434 1.00 1.00 H new ATOM 0 HE2 LYS A 42 60.041 28.510 35.201 1.00 1.00 H new ATOM 0 HE3 LYS A 42 61.415 28.915 34.191 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 59.714 30.606 34.077 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 59.901 29.865 32.561 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 58.571 29.472 33.540 1.00 1.00 H new ATOM 670 N LEU A 43 64.220 25.066 32.057 1.00 1.00 N ATOM 671 CA LEU A 43 65.619 25.350 31.923 1.00 1.00 C ATOM 672 C LEU A 43 66.008 25.657 30.512 1.00 1.00 C ATOM 673 O LEU A 43 66.725 26.623 30.254 1.00 1.00 O ATOM 674 CB LEU A 43 66.397 24.224 32.636 1.00 1.00 C ATOM 675 CG LEU A 43 67.811 23.787 32.213 1.00 1.00 C ATOM 676 CD1 LEU A 43 67.883 22.964 30.915 1.00 1.00 C ATOM 677 CD2 LEU A 43 68.824 24.940 32.270 1.00 1.00 C ATOM 0 H LEU A 43 64.060 24.108 32.370 1.00 1.00 H new ATOM 0 HA LEU A 43 65.891 26.280 32.422 1.00 1.00 H new ATOM 0 HB2 LEU A 43 66.462 24.509 33.686 1.00 1.00 H new ATOM 0 HB3 LEU A 43 65.770 23.334 32.586 1.00 1.00 H new ATOM 0 HG LEU A 43 68.115 23.070 32.976 1.00 1.00 H new ATOM 0 HD11 LEU A 43 68.921 22.706 30.705 1.00 1.00 H new ATOM 0 HD12 LEU A 43 67.298 22.051 31.030 1.00 1.00 H new ATOM 0 HD13 LEU A 43 67.481 23.551 30.089 1.00 1.00 H new ATOM 0 HD21 LEU A 43 69.805 24.578 31.962 1.00 1.00 H new ATOM 0 HD22 LEU A 43 68.505 25.738 31.600 1.00 1.00 H new ATOM 0 HD23 LEU A 43 68.882 25.323 33.289 1.00 1.00 H new ATOM 689 N MET A 44 65.482 24.906 29.528 1.00 1.00 N ATOM 690 CA MET A 44 65.684 25.182 28.136 1.00 1.00 C ATOM 691 C MET A 44 65.151 26.511 27.703 1.00 1.00 C ATOM 692 O MET A 44 65.830 27.285 27.030 1.00 1.00 O ATOM 693 CB MET A 44 65.058 24.059 27.284 1.00 1.00 C ATOM 694 CG MET A 44 65.315 24.159 25.776 1.00 1.00 C ATOM 695 SD MET A 44 64.458 22.880 24.807 1.00 1.00 S ATOM 696 CE MET A 44 65.581 21.501 25.169 1.00 1.00 C ATOM 0 H MET A 44 64.901 24.086 29.702 1.00 1.00 H new ATOM 0 HA MET A 44 66.762 25.220 27.982 1.00 1.00 H new ATOM 0 HB2 MET A 44 65.440 23.101 27.638 1.00 1.00 H new ATOM 0 HB3 MET A 44 63.981 24.055 27.453 1.00 1.00 H new ATOM 0 HG2 MET A 44 64.999 25.142 25.426 1.00 1.00 H new ATOM 0 HG3 MET A 44 66.387 24.085 25.593 1.00 1.00 H new ATOM 0 HE1 MET A 44 65.303 20.637 24.565 1.00 1.00 H new ATOM 0 HE2 MET A 44 66.604 21.794 24.934 1.00 1.00 H new ATOM 0 HE3 MET A 44 65.511 21.242 26.226 1.00 1.00 H new ATOM 706 N LYS A 45 63.929 26.858 28.143 1.00 1.00 N ATOM 707 CA LYS A 45 63.336 28.132 27.857 1.00 1.00 C ATOM 708 C LYS A 45 64.050 29.266 28.525 1.00 1.00 C ATOM 709 O LYS A 45 64.293 30.316 27.937 1.00 1.00 O ATOM 710 CB LYS A 45 61.843 28.118 28.230 1.00 1.00 C ATOM 711 CG LYS A 45 61.045 29.215 27.518 1.00 1.00 C ATOM 712 CD LYS A 45 59.538 29.054 27.733 1.00 1.00 C ATOM 713 CE LYS A 45 59.051 29.465 29.125 1.00 1.00 C ATOM 714 NZ LYS A 45 58.957 30.937 29.234 1.00 1.00 N ATOM 0 H LYS A 45 63.340 26.245 28.707 1.00 1.00 H new ATOM 0 HA LYS A 45 63.432 28.301 26.785 1.00 1.00 H new ATOM 0 HB2 LYS A 45 61.419 27.146 27.979 1.00 1.00 H new ATOM 0 HB3 LYS A 45 61.741 28.242 29.308 1.00 1.00 H new ATOM 0 HG2 LYS A 45 61.362 30.191 27.885 1.00 1.00 H new ATOM 0 HG3 LYS A 45 61.264 29.189 26.451 1.00 1.00 H new ATOM 0 HD2 LYS A 45 59.011 29.649 26.987 1.00 1.00 H new ATOM 0 HD3 LYS A 45 59.268 28.012 27.560 1.00 1.00 H new ATOM 0 HE2 LYS A 45 58.076 29.018 29.321 1.00 1.00 H new ATOM 0 HE3 LYS A 45 59.735 29.082 29.882 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 58.159 31.189 29.852 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 59.839 31.312 29.637 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 58.807 31.346 28.290 1.00 1.00 H new ATOM 728 N ALA A 46 64.480 29.067 29.784 1.00 1.00 N ATOM 729 CA ALA A 46 65.194 30.040 30.560 1.00 1.00 C ATOM 730 C ALA A 46 66.543 30.380 30.005 1.00 1.00 C ATOM 731 O ALA A 46 66.960 31.536 29.977 1.00 1.00 O ATOM 732 CB ALA A 46 65.317 29.560 32.015 1.00 1.00 C ATOM 0 H ALA A 46 64.325 28.192 30.285 1.00 1.00 H new ATOM 0 HA ALA A 46 64.612 30.960 30.518 1.00 1.00 H new ATOM 0 HB1 ALA A 46 65.860 30.303 32.599 1.00 1.00 H new ATOM 0 HB2 ALA A 46 64.322 29.423 32.438 1.00 1.00 H new ATOM 0 HB3 ALA A 46 65.856 28.613 32.041 1.00 1.00 H new ATOM 738 N TYR A 47 67.261 29.370 29.479 1.00 1.00 N ATOM 739 CA TYR A 47 68.482 29.495 28.736 1.00 1.00 C ATOM 740 C TYR A 47 68.302 30.324 27.499 1.00 1.00 C ATOM 741 O TYR A 47 69.121 31.177 27.164 1.00 1.00 O ATOM 742 CB TYR A 47 68.961 28.062 28.422 1.00 1.00 C ATOM 743 CG TYR A 47 70.334 27.874 27.861 1.00 1.00 C ATOM 744 CD1 TYR A 47 71.436 28.603 28.275 1.00 1.00 C ATOM 745 CD2 TYR A 47 70.524 26.834 26.970 1.00 1.00 C ATOM 746 CE1 TYR A 47 72.704 28.297 27.807 1.00 1.00 C ATOM 747 CE2 TYR A 47 71.784 26.527 26.490 1.00 1.00 C ATOM 748 CZ TYR A 47 72.878 27.258 26.910 1.00 1.00 C ATOM 749 OH TYR A 47 74.152 26.945 26.391 1.00 1.00 O ATOM 0 H TYR A 47 66.969 28.398 29.580 1.00 1.00 H new ATOM 0 HA TYR A 47 69.236 30.024 29.319 1.00 1.00 H new ATOM 0 HB2 TYR A 47 68.897 27.482 29.343 1.00 1.00 H new ATOM 0 HB3 TYR A 47 68.253 27.623 27.719 1.00 1.00 H new ATOM 0 HD1 TYR A 47 71.306 29.419 28.970 1.00 1.00 H new ATOM 0 HD2 TYR A 47 69.675 26.252 26.644 1.00 1.00 H new ATOM 0 HE1 TYR A 47 73.556 28.869 28.142 1.00 1.00 H new ATOM 0 HE2 TYR A 47 71.912 25.717 25.788 1.00 1.00 H new ATOM 0 HH TYR A 47 74.840 27.177 27.050 1.00 1.00 H new ATOM 759 N CYS A 48 67.176 30.166 26.782 1.00 1.00 N ATOM 760 CA CYS A 48 66.818 31.000 25.669 1.00 1.00 C ATOM 761 C CYS A 48 66.490 32.416 26.034 1.00 1.00 C ATOM 762 O CYS A 48 66.950 33.367 25.402 1.00 1.00 O ATOM 763 CB CYS A 48 65.653 30.381 24.874 1.00 1.00 C ATOM 764 SG CYS A 48 66.112 28.747 24.221 1.00 1.00 S ATOM 0 H CYS A 48 66.491 29.437 26.980 1.00 1.00 H new ATOM 0 HA CYS A 48 67.713 31.047 25.049 1.00 1.00 H new ATOM 0 HB2 CYS A 48 64.777 30.288 25.517 1.00 1.00 H new ATOM 0 HB3 CYS A 48 65.376 31.041 24.052 1.00 1.00 H new ATOM 0 HG CYS A 48 66.071 27.870 25.179 1.00 1.00 H new ATOM 770 N GLU A 49 65.702 32.635 27.103 1.00 1.00 N ATOM 771 CA GLU A 49 65.320 33.937 27.571 1.00 1.00 C ATOM 772 C GLU A 49 66.457 34.751 28.105 1.00 1.00 C ATOM 773 O GLU A 49 66.605 35.927 27.776 1.00 1.00 O ATOM 774 CB GLU A 49 64.233 33.824 28.657 1.00 1.00 C ATOM 775 CG GLU A 49 62.872 33.365 28.115 1.00 1.00 C ATOM 776 CD GLU A 49 61.812 33.311 29.203 1.00 1.00 C ATOM 777 OE1 GLU A 49 61.478 34.381 29.780 1.00 1.00 O ATOM 778 OE2 GLU A 49 61.261 32.213 29.479 1.00 1.00 O ATOM 0 H GLU A 49 65.315 31.877 27.665 1.00 1.00 H new ATOM 0 HA GLU A 49 64.938 34.458 26.693 1.00 1.00 H new ATOM 0 HB2 GLU A 49 64.566 33.122 29.422 1.00 1.00 H new ATOM 0 HB3 GLU A 49 64.114 34.792 29.143 1.00 1.00 H new ATOM 0 HG2 GLU A 49 62.548 34.045 27.327 1.00 1.00 H new ATOM 0 HG3 GLU A 49 62.976 32.379 27.662 1.00 1.00 H new ATOM 785 N ARG A 50 67.317 34.162 28.956 1.00 1.00 N ATOM 786 CA ARG A 50 68.478 34.805 29.501 1.00 1.00 C ATOM 787 C ARG A 50 69.673 34.899 28.606 1.00 1.00 C ATOM 788 O ARG A 50 70.356 35.921 28.562 1.00 1.00 O ATOM 789 CB ARG A 50 68.867 34.139 30.833 1.00 1.00 C ATOM 790 CG ARG A 50 67.951 34.631 31.959 1.00 1.00 C ATOM 791 CD ARG A 50 68.689 34.789 33.288 1.00 1.00 C ATOM 792 NE ARG A 50 67.701 35.344 34.258 1.00 1.00 N ATOM 793 CZ ARG A 50 68.024 35.854 35.473 1.00 1.00 C ATOM 794 NH1 ARG A 50 69.310 36.043 35.854 1.00 1.00 N ATOM 795 NH2 ARG A 50 67.035 36.195 36.334 1.00 1.00 N ATOM 0 H ARG A 50 67.201 33.201 29.278 1.00 1.00 H new ATOM 0 HA ARG A 50 68.171 35.841 29.644 1.00 1.00 H new ATOM 0 HB2 ARG A 50 68.793 33.055 30.741 1.00 1.00 H new ATOM 0 HB3 ARG A 50 69.905 34.368 31.073 1.00 1.00 H new ATOM 0 HG2 ARG A 50 67.513 35.588 31.675 1.00 1.00 H new ATOM 0 HG3 ARG A 50 67.127 33.928 32.086 1.00 1.00 H new ATOM 0 HD2 ARG A 50 69.075 33.830 33.634 1.00 1.00 H new ATOM 0 HD3 ARG A 50 69.544 35.457 33.180 1.00 1.00 H new ATOM 0 HE ARG A 50 66.717 35.340 33.990 1.00 1.00 H new ATOM 0 HH11 ARG A 50 70.071 35.800 35.220 1.00 1.00 H new ATOM 0 HH12 ARG A 50 69.518 36.429 36.775 1.00 1.00 H new ATOM 0 HH21 ARG A 50 66.059 36.067 36.066 1.00 1.00 H new ATOM 0 HH22 ARG A 50 67.266 36.579 37.250 1.00 1.00 H new ATOM 809 N GLN A 51 69.994 33.824 27.865 1.00 1.00 N ATOM 810 CA GLN A 51 71.254 33.672 27.196 1.00 1.00 C ATOM 811 C GLN A 51 71.122 33.818 25.710 1.00 1.00 C ATOM 812 O GLN A 51 72.096 33.698 24.969 1.00 1.00 O ATOM 813 CB GLN A 51 71.870 32.325 27.627 1.00 1.00 C ATOM 814 CG GLN A 51 73.113 32.427 28.522 1.00 1.00 C ATOM 815 CD GLN A 51 74.453 32.659 27.837 1.00 1.00 C ATOM 816 OE1 GLN A 51 75.508 32.387 28.413 1.00 1.00 O ATOM 817 NE2 GLN A 51 74.450 33.149 26.572 1.00 1.00 N ATOM 0 H GLN A 51 69.361 33.036 27.725 1.00 1.00 H new ATOM 0 HA GLN A 51 71.932 34.473 27.490 1.00 1.00 H new ATOM 0 HB2 GLN A 51 71.110 31.749 28.154 1.00 1.00 H new ATOM 0 HB3 GLN A 51 72.133 31.762 26.732 1.00 1.00 H new ATOM 0 HG2 GLN A 51 72.952 33.239 29.231 1.00 1.00 H new ATOM 0 HG3 GLN A 51 73.186 31.507 29.103 1.00 1.00 H new ATOM 0 HE21 GLN A 51 73.566 33.368 26.112 1.00 1.00 H new ATOM 0 HE22 GLN A 51 75.331 33.298 26.081 1.00 1.00 H new ATOM 826 N GLY A 52 69.914 34.160 25.226 1.00 1.00 N ATOM 827 CA GLY A 52 69.661 34.652 23.899 1.00 1.00 C ATOM 828 C GLY A 52 69.468 33.649 22.807 1.00 1.00 C ATOM 829 O GLY A 52 69.357 34.007 21.636 1.00 1.00 O ATOM 0 H GLY A 52 69.066 34.091 25.788 1.00 1.00 H new ATOM 0 HA2 GLY A 52 68.770 35.279 23.939 1.00 1.00 H new ATOM 0 HA3 GLY A 52 70.493 35.298 23.617 1.00 1.00 H new ATOM 833 N LEU A 53 69.424 32.348 23.138 1.00 1.00 N ATOM 834 CA LEU A 53 69.381 31.279 22.182 1.00 1.00 C ATOM 835 C LEU A 53 68.009 31.002 21.648 1.00 1.00 C ATOM 836 O LEU A 53 67.002 31.484 22.165 1.00 1.00 O ATOM 837 CB LEU A 53 69.989 30.002 22.793 1.00 1.00 C ATOM 838 CG LEU A 53 71.312 30.230 23.550 1.00 1.00 C ATOM 839 CD1 LEU A 53 71.821 28.900 24.128 1.00 1.00 C ATOM 840 CD2 LEU A 53 72.418 30.867 22.693 1.00 1.00 C ATOM 0 H LEU A 53 69.418 32.025 24.105 1.00 1.00 H new ATOM 0 HA LEU A 53 69.975 31.604 21.328 1.00 1.00 H new ATOM 0 HB2 LEU A 53 69.264 29.559 23.476 1.00 1.00 H new ATOM 0 HB3 LEU A 53 70.160 29.278 21.997 1.00 1.00 H new ATOM 0 HG LEU A 53 71.085 30.939 24.346 1.00 1.00 H new ATOM 0 HD11 LEU A 53 72.756 29.069 24.661 1.00 1.00 H new ATOM 0 HD12 LEU A 53 71.079 28.495 24.816 1.00 1.00 H new ATOM 0 HD13 LEU A 53 71.989 28.191 23.317 1.00 1.00 H new ATOM 0 HD21 LEU A 53 73.317 30.995 23.296 1.00 1.00 H new ATOM 0 HD22 LEU A 53 72.639 30.219 21.845 1.00 1.00 H new ATOM 0 HD23 LEU A 53 72.083 31.839 22.330 1.00 1.00 H new ATOM 852 N SER A 54 67.907 30.237 20.546 1.00 1.00 N ATOM 853 CA SER A 54 66.660 29.753 20.023 1.00 1.00 C ATOM 854 C SER A 54 66.453 28.314 20.374 1.00 1.00 C ATOM 855 O SER A 54 67.317 27.476 20.121 1.00 1.00 O ATOM 856 CB SER A 54 66.602 29.880 18.491 1.00 1.00 C ATOM 857 OG SER A 54 66.499 31.244 18.101 1.00 1.00 O ATOM 0 H SER A 54 68.717 29.944 19.999 1.00 1.00 H new ATOM 0 HA SER A 54 65.878 30.366 20.471 1.00 1.00 H new ATOM 0 HB2 SER A 54 67.496 29.438 18.051 1.00 1.00 H new ATOM 0 HB3 SER A 54 65.748 29.322 18.107 1.00 1.00 H new ATOM 0 HG SER A 54 66.465 31.303 17.123 1.00 1.00 H new ATOM 863 N MET A 55 65.289 27.929 20.932 1.00 1.00 N ATOM 864 CA MET A 55 65.056 26.609 21.451 1.00 1.00 C ATOM 865 C MET A 55 65.041 25.510 20.433 1.00 1.00 C ATOM 866 O MET A 55 65.318 24.350 20.731 1.00 1.00 O ATOM 867 CB MET A 55 63.780 26.544 22.314 1.00 1.00 C ATOM 868 CG MET A 55 62.446 26.742 21.584 1.00 1.00 C ATOM 869 SD MET A 55 61.031 26.715 22.725 1.00 1.00 S ATOM 870 CE MET A 55 59.786 27.133 21.472 1.00 1.00 C ATOM 0 H MET A 55 64.486 28.551 21.026 1.00 1.00 H new ATOM 0 HA MET A 55 65.931 26.424 22.074 1.00 1.00 H new ATOM 0 HB2 MET A 55 63.755 25.575 22.812 1.00 1.00 H new ATOM 0 HB3 MET A 55 63.857 27.302 23.094 1.00 1.00 H new ATOM 0 HG2 MET A 55 62.463 27.692 21.051 1.00 1.00 H new ATOM 0 HG3 MET A 55 62.323 25.959 20.836 1.00 1.00 H new ATOM 0 HE1 MET A 55 58.802 27.178 21.938 1.00 1.00 H new ATOM 0 HE2 MET A 55 60.024 28.101 21.032 1.00 1.00 H new ATOM 0 HE3 MET A 55 59.784 26.371 20.693 1.00 1.00 H new ATOM 880 N ARG A 56 64.777 25.853 19.159 1.00 1.00 N ATOM 881 CA ARG A 56 64.738 24.940 18.054 1.00 1.00 C ATOM 882 C ARG A 56 66.065 24.810 17.370 1.00 1.00 C ATOM 883 O ARG A 56 66.210 24.103 16.373 1.00 1.00 O ATOM 884 CB ARG A 56 63.670 25.439 17.060 1.00 1.00 C ATOM 885 CG ARG A 56 63.878 26.875 16.563 1.00 1.00 C ATOM 886 CD ARG A 56 62.701 27.403 15.741 1.00 1.00 C ATOM 887 NE ARG A 56 63.041 28.809 15.375 1.00 1.00 N ATOM 888 CZ ARG A 56 62.335 29.545 14.481 1.00 1.00 C ATOM 889 NH1 ARG A 56 61.170 29.112 13.942 1.00 1.00 N ATOM 890 NH2 ARG A 56 62.840 30.748 14.117 1.00 1.00 N ATOM 0 H ARG A 56 64.581 26.815 18.884 1.00 1.00 H new ATOM 0 HA ARG A 56 64.488 23.948 18.429 1.00 1.00 H new ATOM 0 HB2 ARG A 56 63.653 24.770 16.200 1.00 1.00 H new ATOM 0 HB3 ARG A 56 62.691 25.372 17.535 1.00 1.00 H new ATOM 0 HG2 ARG A 56 64.038 27.530 17.420 1.00 1.00 H new ATOM 0 HG3 ARG A 56 64.783 26.916 15.957 1.00 1.00 H new ATOM 0 HD2 ARG A 56 62.547 26.796 14.849 1.00 1.00 H new ATOM 0 HD3 ARG A 56 61.776 27.364 16.317 1.00 1.00 H new ATOM 0 HE ARG A 56 63.850 29.241 15.822 1.00 1.00 H new ATOM 0 HH11 ARG A 56 60.793 28.201 14.206 1.00 1.00 H new ATOM 0 HH12 ARG A 56 60.669 29.697 13.273 1.00 1.00 H new ATOM 0 HH21 ARG A 56 63.723 31.072 14.513 1.00 1.00 H new ATOM 0 HH22 ARG A 56 62.338 31.330 13.447 1.00 1.00 H new ATOM 904 N GLN A 57 67.106 25.474 17.905 1.00 1.00 N ATOM 905 CA GLN A 57 68.452 25.413 17.412 1.00 1.00 C ATOM 906 C GLN A 57 69.381 24.738 18.372 1.00 1.00 C ATOM 907 O GLN A 57 70.535 24.460 18.047 1.00 1.00 O ATOM 908 CB GLN A 57 68.923 26.851 17.125 1.00 1.00 C ATOM 909 CG GLN A 57 68.297 27.391 15.832 1.00 1.00 C ATOM 910 CD GLN A 57 68.639 28.855 15.583 1.00 1.00 C ATOM 911 OE1 GLN A 57 69.564 29.428 16.159 1.00 1.00 O ATOM 912 NE2 GLN A 57 67.840 29.495 14.692 1.00 1.00 N ATOM 0 H GLN A 57 67.007 26.082 18.718 1.00 1.00 H new ATOM 0 HA GLN A 57 68.465 24.814 16.501 1.00 1.00 H new ATOM 0 HB2 GLN A 57 68.655 27.498 17.960 1.00 1.00 H new ATOM 0 HB3 GLN A 57 70.010 26.871 17.042 1.00 1.00 H new ATOM 0 HG2 GLN A 57 68.641 26.793 14.988 1.00 1.00 H new ATOM 0 HG3 GLN A 57 67.214 27.278 15.882 1.00 1.00 H new ATOM 0 HE21 GLN A 57 67.082 28.990 14.232 1.00 1.00 H new ATOM 0 HE22 GLN A 57 67.997 30.481 14.482 1.00 1.00 H new ATOM 921 N ILE A 58 68.908 24.397 19.584 1.00 1.00 N ATOM 922 CA ILE A 58 69.685 23.732 20.592 1.00 1.00 C ATOM 923 C ILE A 58 69.005 22.470 21.022 1.00 1.00 C ATOM 924 O ILE A 58 67.781 22.401 21.108 1.00 1.00 O ATOM 925 CB ILE A 58 69.975 24.596 21.793 1.00 1.00 C ATOM 926 CG1 ILE A 58 68.701 25.163 22.452 1.00 1.00 C ATOM 927 CG2 ILE A 58 70.935 25.715 21.349 1.00 1.00 C ATOM 928 CD1 ILE A 58 68.966 25.977 23.719 1.00 1.00 C ATOM 0 H ILE A 58 67.950 24.590 19.876 1.00 1.00 H new ATOM 0 HA ILE A 58 70.647 23.501 20.134 1.00 1.00 H new ATOM 0 HB ILE A 58 70.439 23.983 22.566 1.00 1.00 H new ATOM 0 HG12 ILE A 58 68.180 25.792 21.730 1.00 1.00 H new ATOM 0 HG13 ILE A 58 68.032 24.338 22.696 1.00 1.00 H new ATOM 0 HG21 ILE A 58 71.163 26.357 22.199 1.00 1.00 H new ATOM 0 HG22 ILE A 58 71.857 25.274 20.970 1.00 1.00 H new ATOM 0 HG23 ILE A 58 70.466 26.307 20.563 1.00 1.00 H new ATOM 0 HD11 ILE A 58 68.021 26.341 24.122 1.00 1.00 H new ATOM 0 HD12 ILE A 58 69.458 25.347 24.460 1.00 1.00 H new ATOM 0 HD13 ILE A 58 69.608 26.824 23.479 1.00 1.00 H new ATOM 940 N ARG A 59 69.778 21.402 21.293 1.00 1.00 N ATOM 941 CA ARG A 59 69.306 20.170 21.855 1.00 1.00 C ATOM 942 C ARG A 59 70.297 19.715 22.880 1.00 1.00 C ATOM 943 O ARG A 59 71.463 20.107 22.855 1.00 1.00 O ATOM 944 CB ARG A 59 69.106 19.062 20.802 1.00 1.00 C ATOM 945 CG ARG A 59 67.866 19.193 19.906 1.00 1.00 C ATOM 946 CD ARG A 59 66.513 18.996 20.602 1.00 1.00 C ATOM 947 NE ARG A 59 66.047 20.320 21.106 1.00 1.00 N ATOM 948 CZ ARG A 59 64.775 20.589 21.498 1.00 1.00 C ATOM 949 NH1 ARG A 59 63.920 19.612 21.884 1.00 1.00 N ATOM 950 NH2 ARG A 59 64.340 21.873 21.524 1.00 1.00 N ATOM 0 H ARG A 59 70.782 21.396 21.112 1.00 1.00 H new ATOM 0 HA ARG A 59 68.328 20.356 22.298 1.00 1.00 H new ATOM 0 HB2 ARG A 59 69.989 19.033 20.163 1.00 1.00 H new ATOM 0 HB3 ARG A 59 69.055 18.104 21.319 1.00 1.00 H new ATOM 0 HG2 ARG A 59 67.876 20.182 19.447 1.00 1.00 H new ATOM 0 HG3 ARG A 59 67.947 18.466 19.098 1.00 1.00 H new ATOM 0 HD2 ARG A 59 65.786 18.577 19.906 1.00 1.00 H new ATOM 0 HD3 ARG A 59 66.609 18.289 21.426 1.00 1.00 H new ATOM 0 HE ARG A 59 66.731 21.075 21.160 1.00 1.00 H new ATOM 0 HH11 ARG A 59 64.225 18.639 21.886 1.00 1.00 H new ATOM 0 HH12 ARG A 59 62.971 19.850 22.173 1.00 1.00 H new ATOM 0 HH21 ARG A 59 64.967 22.630 21.250 1.00 1.00 H new ATOM 0 HH22 ARG A 59 63.386 22.082 21.817 1.00 1.00 H new ATOM 964 N PHE A 60 69.867 18.914 23.872 1.00 1.00 N ATOM 965 CA PHE A 60 70.640 18.627 25.044 1.00 1.00 C ATOM 966 C PHE A 60 71.011 17.182 25.158 1.00 1.00 C ATOM 967 O PHE A 60 70.313 16.272 24.708 1.00 1.00 O ATOM 968 CB PHE A 60 69.908 19.041 26.335 1.00 1.00 C ATOM 969 CG PHE A 60 69.594 20.498 26.450 1.00 1.00 C ATOM 970 CD1 PHE A 60 70.309 21.505 25.825 1.00 1.00 C ATOM 971 CD2 PHE A 60 68.546 20.849 27.280 1.00 1.00 C ATOM 972 CE1 PHE A 60 69.959 22.833 25.993 1.00 1.00 C ATOM 973 CE2 PHE A 60 68.206 22.174 27.477 1.00 1.00 C ATOM 974 CZ PHE A 60 68.906 23.170 26.824 1.00 1.00 C ATOM 0 H PHE A 60 68.957 18.453 23.860 1.00 1.00 H new ATOM 0 HA PHE A 60 71.550 19.217 24.930 1.00 1.00 H new ATOM 0 HB2 PHE A 60 68.977 18.479 26.402 1.00 1.00 H new ATOM 0 HB3 PHE A 60 70.519 18.749 27.189 1.00 1.00 H new ATOM 0 HD1 PHE A 60 71.151 21.251 25.198 1.00 1.00 H new ATOM 0 HD2 PHE A 60 67.984 20.076 27.782 1.00 1.00 H new ATOM 0 HE1 PHE A 60 70.508 23.606 25.476 1.00 1.00 H new ATOM 0 HE2 PHE A 60 67.394 22.431 28.141 1.00 1.00 H new ATOM 0 HZ PHE A 60 68.633 24.206 26.962 1.00 1.00 H new ATOM 984 N ARG A 61 72.182 16.924 25.766 1.00 1.00 N ATOM 985 CA ARG A 61 72.666 15.608 26.056 1.00 1.00 C ATOM 986 C ARG A 61 73.234 15.563 27.440 1.00 1.00 C ATOM 987 O ARG A 61 73.649 16.567 28.015 1.00 1.00 O ATOM 988 CB ARG A 61 73.660 15.122 24.982 1.00 1.00 C ATOM 989 CG ARG A 61 74.952 15.923 24.773 1.00 1.00 C ATOM 990 CD ARG A 61 75.662 15.483 23.488 1.00 1.00 C ATOM 991 NE ARG A 61 77.020 16.096 23.419 1.00 1.00 N ATOM 992 CZ ARG A 61 78.043 15.534 22.725 1.00 1.00 C ATOM 993 NH1 ARG A 61 77.857 14.498 21.872 1.00 1.00 N ATOM 994 NH2 ARG A 61 79.310 15.984 22.895 1.00 1.00 N ATOM 0 H ARG A 61 72.819 17.661 26.068 1.00 1.00 H new ATOM 0 HA ARG A 61 71.830 14.909 26.025 1.00 1.00 H new ATOM 0 HB2 ARG A 61 73.940 14.097 25.227 1.00 1.00 H new ATOM 0 HB3 ARG A 61 73.131 15.089 24.030 1.00 1.00 H new ATOM 0 HG2 ARG A 61 74.721 16.987 24.721 1.00 1.00 H new ATOM 0 HG3 ARG A 61 75.615 15.782 25.627 1.00 1.00 H new ATOM 0 HD2 ARG A 61 75.743 14.396 23.461 1.00 1.00 H new ATOM 0 HD3 ARG A 61 75.075 15.780 22.619 1.00 1.00 H new ATOM 0 HE ARG A 61 77.187 16.973 23.913 1.00 1.00 H new ATOM 0 HH11 ARG A 61 76.923 14.113 21.733 1.00 1.00 H new ATOM 0 HH12 ARG A 61 78.651 14.103 21.369 1.00 1.00 H new ATOM 0 HH21 ARG A 61 79.497 16.747 23.546 1.00 1.00 H new ATOM 0 HH22 ARG A 61 80.076 15.560 22.372 1.00 1.00 H new ATOM 1008 N PHE A 62 73.197 14.371 28.059 1.00 1.00 N ATOM 1009 CA PHE A 62 73.666 14.128 29.391 1.00 1.00 C ATOM 1010 C PHE A 62 74.561 12.930 29.374 1.00 1.00 C ATOM 1011 O PHE A 62 74.115 11.811 29.122 1.00 1.00 O ATOM 1012 CB PHE A 62 72.454 13.867 30.303 1.00 1.00 C ATOM 1013 CG PHE A 62 72.828 13.927 31.747 1.00 1.00 C ATOM 1014 CD1 PHE A 62 73.092 15.150 32.332 1.00 1.00 C ATOM 1015 CD2 PHE A 62 72.841 12.786 32.528 1.00 1.00 C ATOM 1016 CE1 PHE A 62 73.314 15.243 33.693 1.00 1.00 C ATOM 1017 CE2 PHE A 62 73.091 12.869 33.885 1.00 1.00 C ATOM 1018 CZ PHE A 62 73.310 14.100 34.472 1.00 1.00 C ATOM 0 H PHE A 62 72.822 13.535 27.611 1.00 1.00 H new ATOM 0 HA PHE A 62 74.221 14.988 29.765 1.00 1.00 H new ATOM 0 HB2 PHE A 62 71.678 14.604 30.097 1.00 1.00 H new ATOM 0 HB3 PHE A 62 72.032 12.888 30.077 1.00 1.00 H new ATOM 0 HD1 PHE A 62 73.125 16.040 31.721 1.00 1.00 H new ATOM 0 HD2 PHE A 62 72.655 11.824 32.075 1.00 1.00 H new ATOM 0 HE1 PHE A 62 73.490 16.207 34.148 1.00 1.00 H new ATOM 0 HE2 PHE A 62 73.115 11.972 34.486 1.00 1.00 H new ATOM 0 HZ PHE A 62 73.478 14.170 35.537 1.00 1.00 H new ATOM 1028 N ASP A 63 75.870 13.129 29.611 1.00 1.00 N ATOM 1029 CA ASP A 63 76.909 12.141 29.538 1.00 1.00 C ATOM 1030 C ASP A 63 76.884 11.321 28.282 1.00 1.00 C ATOM 1031 O ASP A 63 77.025 10.100 28.276 1.00 1.00 O ATOM 1032 CB ASP A 63 76.958 11.357 30.866 1.00 1.00 C ATOM 1033 CG ASP A 63 78.174 10.459 31.004 1.00 1.00 C ATOM 1034 OD1 ASP A 63 79.316 10.902 30.707 1.00 1.00 O ATOM 1035 OD2 ASP A 63 77.992 9.294 31.449 1.00 1.00 O ATOM 0 H ASP A 63 76.230 14.047 29.873 1.00 1.00 H new ATOM 0 HA ASP A 63 77.873 12.640 29.437 1.00 1.00 H new ATOM 0 HB2 ASP A 63 76.945 12.064 31.695 1.00 1.00 H new ATOM 0 HB3 ASP A 63 76.057 10.749 30.951 1.00 1.00 H new ATOM 1040 N GLY A 64 76.701 11.992 27.128 1.00 1.00 N ATOM 1041 CA GLY A 64 76.612 11.386 25.829 1.00 1.00 C ATOM 1042 C GLY A 64 75.296 10.789 25.446 1.00 1.00 C ATOM 1043 O GLY A 64 75.165 10.261 24.342 1.00 1.00 O ATOM 0 H GLY A 64 76.610 13.008 27.098 1.00 1.00 H new ATOM 0 HA2 GLY A 64 76.871 12.140 25.085 1.00 1.00 H new ATOM 0 HA3 GLY A 64 77.369 10.604 25.768 1.00 1.00 H new ATOM 1047 N GLN A 65 74.252 10.865 26.291 1.00 1.00 N ATOM 1048 CA GLN A 65 72.959 10.320 25.988 1.00 1.00 C ATOM 1049 C GLN A 65 71.970 11.421 25.759 1.00 1.00 C ATOM 1050 O GLN A 65 71.998 12.397 26.507 1.00 1.00 O ATOM 1051 CB GLN A 65 72.422 9.435 27.129 1.00 1.00 C ATOM 1052 CG GLN A 65 73.260 8.175 27.377 1.00 1.00 C ATOM 1053 CD GLN A 65 72.544 7.210 28.314 1.00 1.00 C ATOM 1054 OE1 GLN A 65 71.488 6.663 27.995 1.00 1.00 O ATOM 1055 NE2 GLN A 65 73.135 6.962 29.513 1.00 1.00 N ATOM 0 H GLN A 65 74.304 11.314 27.205 1.00 1.00 H new ATOM 0 HA GLN A 65 73.081 9.713 25.091 1.00 1.00 H new ATOM 0 HB2 GLN A 65 72.385 10.023 28.046 1.00 1.00 H new ATOM 0 HB3 GLN A 65 71.398 9.140 26.898 1.00 1.00 H new ATOM 0 HG2 GLN A 65 73.465 7.679 26.428 1.00 1.00 H new ATOM 0 HG3 GLN A 65 74.223 8.454 27.805 1.00 1.00 H new ATOM 0 HE21 GLN A 65 74.010 7.427 29.756 1.00 1.00 H new ATOM 0 HE22 GLN A 65 72.704 6.311 30.169 1.00 1.00 H new ATOM 1064 N PRO A 66 71.086 11.399 24.796 1.00 1.00 N ATOM 1065 CA PRO A 66 70.133 12.459 24.593 1.00 1.00 C ATOM 1066 C PRO A 66 69.041 12.452 25.620 1.00 1.00 C ATOM 1067 O PRO A 66 68.646 11.392 26.101 1.00 1.00 O ATOM 1068 CB PRO A 66 69.611 12.197 23.179 1.00 1.00 C ATOM 1069 CG PRO A 66 69.670 10.668 23.040 1.00 1.00 C ATOM 1070 CD PRO A 66 70.944 10.324 23.821 1.00 1.00 C ATOM 0 HA PRO A 66 70.576 13.449 24.700 1.00 1.00 H new ATOM 0 HB2 PRO A 66 68.595 12.571 23.053 1.00 1.00 H new ATOM 0 HB3 PRO A 66 70.228 12.690 22.428 1.00 1.00 H new ATOM 0 HG2 PRO A 66 68.789 10.186 23.464 1.00 1.00 H new ATOM 0 HG3 PRO A 66 69.734 10.356 21.998 1.00 1.00 H new ATOM 0 HD2 PRO A 66 70.858 9.354 24.311 1.00 1.00 H new ATOM 0 HD3 PRO A 66 71.810 10.271 23.161 1.00 1.00 H new ATOM 1078 N ILE A 67 68.551 13.638 26.024 1.00 1.00 N ATOM 1079 CA ILE A 67 67.530 13.803 27.022 1.00 1.00 C ATOM 1080 C ILE A 67 66.368 14.518 26.410 1.00 1.00 C ATOM 1081 O ILE A 67 66.523 15.253 25.435 1.00 1.00 O ATOM 1082 CB ILE A 67 68.009 14.536 28.248 1.00 1.00 C ATOM 1083 CG1 ILE A 67 68.731 15.851 27.893 1.00 1.00 C ATOM 1084 CG2 ILE A 67 68.913 13.592 29.061 1.00 1.00 C ATOM 1085 CD1 ILE A 67 69.225 16.621 29.117 1.00 1.00 C ATOM 0 H ILE A 67 68.879 14.524 25.640 1.00 1.00 H new ATOM 0 HA ILE A 67 67.236 12.810 27.361 1.00 1.00 H new ATOM 0 HB ILE A 67 67.148 14.824 28.850 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.580 15.628 27.246 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.054 16.486 27.322 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.269 14.108 29.953 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.346 12.709 29.354 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.765 13.290 28.452 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.723 17.535 28.795 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.377 16.875 29.754 1.00 1.00 H new ATOM 0 HD13 ILE A 67 69.927 16.003 29.677 1.00 1.00 H new ATOM 1097 N ASN A 68 65.138 14.280 26.906 1.00 1.00 N ATOM 1098 CA ASN A 68 63.937 14.739 26.268 1.00 1.00 C ATOM 1099 C ASN A 68 63.277 15.779 27.118 1.00 1.00 C ATOM 1100 O ASN A 68 63.521 15.873 28.318 1.00 1.00 O ATOM 1101 CB ASN A 68 62.919 13.603 26.037 1.00 1.00 C ATOM 1102 CG ASN A 68 63.473 12.516 25.123 1.00 1.00 C ATOM 1103 OD1 ASN A 68 63.160 12.462 23.933 1.00 1.00 O ATOM 1104 ND2 ASN A 68 64.289 11.596 25.701 1.00 1.00 N ATOM 0 H ASN A 68 64.973 13.759 27.767 1.00 1.00 H new ATOM 0 HA ASN A 68 64.233 15.144 25.300 1.00 1.00 H new ATOM 0 HB2 ASN A 68 62.642 13.164 26.996 1.00 1.00 H new ATOM 0 HB3 ASN A 68 62.009 14.015 25.600 1.00 1.00 H new ATOM 0 HD21 ASN A 68 64.665 10.827 25.146 1.00 1.00 H new ATOM 0 HD22 ASN A 68 64.526 11.674 26.690 1.00 1.00 H new ATOM 1111 N GLU A 69 62.342 16.570 26.564 1.00 1.00 N ATOM 1112 CA GLU A 69 61.543 17.495 27.318 1.00 1.00 C ATOM 1113 C GLU A 69 60.544 16.815 28.204 1.00 1.00 C ATOM 1114 O GLU A 69 59.976 17.421 29.112 1.00 1.00 O ATOM 1115 CB GLU A 69 60.807 18.459 26.368 1.00 1.00 C ATOM 1116 CG GLU A 69 61.728 19.471 25.671 1.00 1.00 C ATOM 1117 CD GLU A 69 61.140 19.931 24.345 1.00 1.00 C ATOM 1118 OE1 GLU A 69 61.091 19.115 23.386 1.00 1.00 O ATOM 1119 OE2 GLU A 69 60.715 21.112 24.240 1.00 1.00 O ATOM 0 H GLU A 69 62.133 16.569 25.566 1.00 1.00 H new ATOM 0 HA GLU A 69 62.230 18.046 27.961 1.00 1.00 H new ATOM 0 HB2 GLU A 69 60.284 17.877 25.610 1.00 1.00 H new ATOM 0 HB3 GLU A 69 60.049 19.002 26.933 1.00 1.00 H new ATOM 0 HG2 GLU A 69 61.883 20.332 26.321 1.00 1.00 H new ATOM 0 HG3 GLU A 69 62.705 19.020 25.501 1.00 1.00 H new ATOM 1126 N THR A 70 60.305 15.507 27.993 1.00 1.00 N ATOM 1127 CA THR A 70 59.520 14.646 28.835 1.00 1.00 C ATOM 1128 C THR A 70 60.319 14.085 29.971 1.00 1.00 C ATOM 1129 O THR A 70 59.781 13.537 30.932 1.00 1.00 O ATOM 1130 CB THR A 70 58.909 13.508 28.057 1.00 1.00 C ATOM 1131 OG1 THR A 70 58.421 13.991 26.815 1.00 1.00 O ATOM 1132 CG2 THR A 70 57.692 12.904 28.778 1.00 1.00 C ATOM 0 H THR A 70 60.683 15.017 27.183 1.00 1.00 H new ATOM 0 HA THR A 70 58.725 15.272 29.240 1.00 1.00 H new ATOM 0 HB THR A 70 59.690 12.757 27.940 1.00 1.00 H new ATOM 0 HG1 THR A 70 58.026 13.251 26.309 1.00 1.00 H new ATOM 0 HG21 THR A 70 57.284 12.088 28.182 1.00 1.00 H new ATOM 0 HG22 THR A 70 57.998 12.524 29.752 1.00 1.00 H new ATOM 0 HG23 THR A 70 56.930 13.672 28.911 1.00 1.00 H new ATOM 1140 N ASP A 71 61.659 14.223 29.952 1.00 1.00 N ATOM 1141 CA ASP A 71 62.519 13.789 31.012 1.00 1.00 C ATOM 1142 C ASP A 71 62.590 14.822 32.093 1.00 1.00 C ATOM 1143 O ASP A 71 62.032 15.915 31.998 1.00 1.00 O ATOM 1144 CB ASP A 71 63.909 13.426 30.460 1.00 1.00 C ATOM 1145 CG ASP A 71 63.841 12.178 29.599 1.00 1.00 C ATOM 1146 OD1 ASP A 71 63.145 11.201 29.985 1.00 1.00 O ATOM 1147 OD2 ASP A 71 64.547 12.127 28.557 1.00 1.00 O ATOM 0 H ASP A 71 62.160 14.651 29.173 1.00 1.00 H new ATOM 0 HA ASP A 71 62.102 12.887 31.460 1.00 1.00 H new ATOM 0 HB2 ASP A 71 64.300 14.257 29.873 1.00 1.00 H new ATOM 0 HB3 ASP A 71 64.602 13.266 31.286 1.00 1.00 H new ATOM 1152 N THR A 72 63.251 14.483 33.213 1.00 1.00 N ATOM 1153 CA THR A 72 63.087 15.176 34.464 1.00 1.00 C ATOM 1154 C THR A 72 64.316 15.054 35.311 1.00 1.00 C ATOM 1155 O THR A 72 65.095 14.123 35.103 1.00 1.00 O ATOM 1156 CB THR A 72 61.909 14.775 35.322 1.00 1.00 C ATOM 1157 OG1 THR A 72 61.916 13.401 35.682 1.00 1.00 O ATOM 1158 CG2 THR A 72 60.571 15.055 34.620 1.00 1.00 C ATOM 0 H THR A 72 63.916 13.711 33.256 1.00 1.00 H new ATOM 0 HA THR A 72 62.895 16.198 34.138 1.00 1.00 H new ATOM 0 HB THR A 72 62.010 15.382 36.222 1.00 1.00 H new ATOM 0 HG1 THR A 72 61.132 13.204 36.236 1.00 1.00 H new ATOM 0 HG21 THR A 72 59.749 14.753 35.269 1.00 1.00 H new ATOM 0 HG22 THR A 72 60.490 16.120 34.403 1.00 1.00 H new ATOM 0 HG23 THR A 72 60.524 14.491 33.689 1.00 1.00 H new ATOM 1166 N PRO A 73 64.558 15.905 36.278 1.00 1.00 N ATOM 1167 CA PRO A 73 65.616 15.738 37.241 1.00 1.00 C ATOM 1168 C PRO A 73 65.534 14.495 38.066 1.00 1.00 C ATOM 1169 O PRO A 73 66.578 13.976 38.459 1.00 1.00 O ATOM 1170 CB PRO A 73 65.538 16.974 38.139 1.00 1.00 C ATOM 1171 CG PRO A 73 64.934 18.052 37.232 1.00 1.00 C ATOM 1172 CD PRO A 73 63.960 17.231 36.378 1.00 1.00 C ATOM 0 HA PRO A 73 66.563 15.634 36.711 1.00 1.00 H new ATOM 0 HB2 PRO A 73 64.914 16.793 39.014 1.00 1.00 H new ATOM 0 HB3 PRO A 73 66.523 17.265 38.504 1.00 1.00 H new ATOM 0 HG2 PRO A 73 64.424 18.828 37.803 1.00 1.00 H new ATOM 0 HG3 PRO A 73 65.692 18.548 36.626 1.00 1.00 H new ATOM 0 HD2 PRO A 73 62.974 17.184 36.841 1.00 1.00 H new ATOM 0 HD3 PRO A 73 63.828 17.678 35.393 1.00 1.00 H new ATOM 1180 N ALA A 74 64.317 14.011 38.369 1.00 1.00 N ATOM 1181 CA ALA A 74 64.081 12.781 39.070 1.00 1.00 C ATOM 1182 C ALA A 74 64.500 11.565 38.304 1.00 1.00 C ATOM 1183 O ALA A 74 65.165 10.663 38.808 1.00 1.00 O ATOM 1184 CB ALA A 74 62.569 12.659 39.328 1.00 1.00 C ATOM 0 H ALA A 74 63.457 14.497 38.115 1.00 1.00 H new ATOM 0 HA ALA A 74 64.673 12.819 39.985 1.00 1.00 H new ATOM 0 HB1 ALA A 74 62.365 11.730 39.861 1.00 1.00 H new ATOM 0 HB2 ALA A 74 62.233 13.504 39.929 1.00 1.00 H new ATOM 0 HB3 ALA A 74 62.037 12.657 38.377 1.00 1.00 H new ATOM 1190 N GLN A 75 64.126 11.522 37.013 1.00 1.00 N ATOM 1191 CA GLN A 75 64.413 10.455 36.100 1.00 1.00 C ATOM 1192 C GLN A 75 65.860 10.360 35.731 1.00 1.00 C ATOM 1193 O GLN A 75 66.428 9.274 35.632 1.00 1.00 O ATOM 1194 CB GLN A 75 63.572 10.637 34.823 1.00 1.00 C ATOM 1195 CG GLN A 75 62.126 10.149 34.979 1.00 1.00 C ATOM 1196 CD GLN A 75 61.325 10.370 33.701 1.00 1.00 C ATOM 1197 OE1 GLN A 75 61.088 9.456 32.910 1.00 1.00 O ATOM 1198 NE2 GLN A 75 60.896 11.637 33.469 1.00 1.00 N ATOM 0 H GLN A 75 63.592 12.275 36.580 1.00 1.00 H new ATOM 0 HA GLN A 75 64.157 9.526 36.610 1.00 1.00 H new ATOM 0 HB2 GLN A 75 63.565 11.691 34.547 1.00 1.00 H new ATOM 0 HB3 GLN A 75 64.045 10.096 34.004 1.00 1.00 H new ATOM 0 HG2 GLN A 75 62.123 9.089 35.234 1.00 1.00 H new ATOM 0 HG3 GLN A 75 61.649 10.676 35.805 1.00 1.00 H new ATOM 0 HE21 GLN A 75 61.105 12.377 34.139 1.00 1.00 H new ATOM 0 HE22 GLN A 75 60.365 11.849 32.624 1.00 1.00 H new ATOM 1207 N LEU A 76 66.525 11.509 35.507 1.00 1.00 N ATOM 1208 CA LEU A 76 67.900 11.538 35.098 1.00 1.00 C ATOM 1209 C LEU A 76 68.828 11.525 36.274 1.00 1.00 C ATOM 1210 O LEU A 76 70.040 11.352 36.151 1.00 1.00 O ATOM 1211 CB LEU A 76 68.080 12.811 34.251 1.00 1.00 C ATOM 1212 CG LEU A 76 69.341 12.868 33.372 1.00 1.00 C ATOM 1213 CD1 LEU A 76 69.297 11.820 32.248 1.00 1.00 C ATOM 1214 CD2 LEU A 76 69.465 14.283 32.787 1.00 1.00 C ATOM 0 H LEU A 76 66.104 12.432 35.611 1.00 1.00 H new ATOM 0 HA LEU A 76 68.147 10.649 34.519 1.00 1.00 H new ATOM 0 HB2 LEU A 76 67.208 12.920 33.607 1.00 1.00 H new ATOM 0 HB3 LEU A 76 68.090 13.670 34.922 1.00 1.00 H new ATOM 0 HG LEU A 76 70.212 12.638 33.985 1.00 1.00 H new ATOM 0 HD11 LEU A 76 70.205 11.891 31.649 1.00 1.00 H new ATOM 0 HD12 LEU A 76 69.226 10.823 32.683 1.00 1.00 H new ATOM 0 HD13 LEU A 76 68.429 12.002 31.615 1.00 1.00 H new ATOM 0 HD21 LEU A 76 70.355 14.341 32.160 1.00 1.00 H new ATOM 0 HD22 LEU A 76 68.583 14.507 32.187 1.00 1.00 H new ATOM 0 HD23 LEU A 76 69.545 15.006 33.598 1.00 1.00 H new ATOM 1226 N GLU A 77 68.256 11.666 37.484 1.00 1.00 N ATOM 1227 CA GLU A 77 68.903 11.641 38.764 1.00 1.00 C ATOM 1228 C GLU A 77 69.944 12.701 38.953 1.00 1.00 C ATOM 1229 O GLU A 77 71.064 12.466 39.404 1.00 1.00 O ATOM 1230 CB GLU A 77 69.370 10.231 39.173 1.00 1.00 C ATOM 1231 CG GLU A 77 68.182 9.288 39.408 1.00 1.00 C ATOM 1232 CD GLU A 77 68.618 7.873 39.749 1.00 1.00 C ATOM 1233 OE1 GLU A 77 69.355 7.673 40.751 1.00 1.00 O ATOM 1234 OE2 GLU A 77 68.203 6.935 39.017 1.00 1.00 O ATOM 0 H GLU A 77 67.250 11.810 37.574 1.00 1.00 H new ATOM 0 HA GLU A 77 68.124 11.912 39.477 1.00 1.00 H new ATOM 0 HB2 GLU A 77 70.013 9.820 38.395 1.00 1.00 H new ATOM 0 HB3 GLU A 77 69.970 10.295 40.081 1.00 1.00 H new ATOM 0 HG2 GLU A 77 67.567 9.680 40.218 1.00 1.00 H new ATOM 0 HG3 GLU A 77 67.558 9.267 38.515 1.00 1.00 H new ATOM 1241 N MET A 78 69.572 13.948 38.610 1.00 1.00 N ATOM 1242 CA MET A 78 70.321 15.154 38.790 1.00 1.00 C ATOM 1243 C MET A 78 70.676 15.475 40.209 1.00 1.00 C ATOM 1244 O MET A 78 69.990 15.089 41.156 1.00 1.00 O ATOM 1245 CB MET A 78 69.545 16.325 38.161 1.00 1.00 C ATOM 1246 CG MET A 78 69.396 16.241 36.638 1.00 1.00 C ATOM 1247 SD MET A 78 68.507 17.697 36.008 1.00 1.00 S ATOM 1248 CE MET A 78 67.993 17.074 34.382 1.00 1.00 C ATOM 0 H MET A 78 68.670 14.126 38.169 1.00 1.00 H new ATOM 0 HA MET A 78 71.277 14.994 38.291 1.00 1.00 H new ATOM 0 HB2 MET A 78 68.552 16.369 38.609 1.00 1.00 H new ATOM 0 HB3 MET A 78 70.051 17.257 38.413 1.00 1.00 H new ATOM 0 HG2 MET A 78 70.380 16.178 36.173 1.00 1.00 H new ATOM 0 HG3 MET A 78 68.857 15.333 36.368 1.00 1.00 H new ATOM 0 HE1 MET A 78 67.149 17.660 34.018 1.00 1.00 H new ATOM 0 HE2 MET A 78 68.823 17.159 33.681 1.00 1.00 H new ATOM 0 HE3 MET A 78 67.698 16.028 34.470 1.00 1.00 H new ATOM 1258 N GLU A 79 71.803 16.182 40.400 1.00 1.00 N ATOM 1259 CA GLU A 79 72.385 16.517 41.666 1.00 1.00 C ATOM 1260 C GLU A 79 72.157 17.960 41.982 1.00 1.00 C ATOM 1261 O GLU A 79 71.620 18.717 41.177 1.00 1.00 O ATOM 1262 CB GLU A 79 73.898 16.232 41.630 1.00 1.00 C ATOM 1263 CG GLU A 79 74.243 14.737 41.606 1.00 1.00 C ATOM 1264 CD GLU A 79 73.862 14.047 42.905 1.00 1.00 C ATOM 1265 OE1 GLU A 79 74.175 14.594 43.997 1.00 1.00 O ATOM 1266 OE2 GLU A 79 73.262 12.941 42.850 1.00 1.00 O ATOM 0 H GLU A 79 72.346 16.545 39.617 1.00 1.00 H new ATOM 0 HA GLU A 79 71.914 15.910 42.439 1.00 1.00 H new ATOM 0 HB2 GLU A 79 74.328 16.709 40.749 1.00 1.00 H new ATOM 0 HB3 GLU A 79 74.366 16.690 42.501 1.00 1.00 H new ATOM 0 HG2 GLU A 79 73.725 14.258 40.775 1.00 1.00 H new ATOM 0 HG3 GLU A 79 75.311 14.614 41.429 1.00 1.00 H new ATOM 1273 N ASP A 80 72.577 18.402 43.184 1.00 1.00 N ATOM 1274 CA ASP A 80 72.522 19.755 43.658 1.00 1.00 C ATOM 1275 C ASP A 80 73.208 20.770 42.795 1.00 1.00 C ATOM 1276 O ASP A 80 72.843 21.943 42.819 1.00 1.00 O ATOM 1277 CB ASP A 80 72.906 19.875 45.145 1.00 1.00 C ATOM 1278 CG ASP A 80 74.373 19.561 45.378 1.00 1.00 C ATOM 1279 OD1 ASP A 80 74.745 18.358 45.423 1.00 1.00 O ATOM 1280 OD2 ASP A 80 75.176 20.524 45.496 1.00 1.00 O ATOM 0 H ASP A 80 72.984 17.769 43.873 1.00 1.00 H new ATOM 0 HA ASP A 80 71.468 20.021 43.575 1.00 1.00 H new ATOM 0 HB2 ASP A 80 72.691 20.885 45.495 1.00 1.00 H new ATOM 0 HB3 ASP A 80 72.291 19.195 45.735 1.00 1.00 H new ATOM 1285 N GLU A 81 74.225 20.340 42.025 1.00 1.00 N ATOM 1286 CA GLU A 81 74.769 21.071 40.917 1.00 1.00 C ATOM 1287 C GLU A 81 75.064 20.113 39.804 1.00 1.00 C ATOM 1288 O GLU A 81 76.165 19.570 39.727 1.00 1.00 O ATOM 1289 CB GLU A 81 76.078 21.814 41.252 1.00 1.00 C ATOM 1290 CG GLU A 81 75.929 22.946 42.277 1.00 1.00 C ATOM 1291 CD GLU A 81 77.246 23.680 42.457 1.00 1.00 C ATOM 1292 OE1 GLU A 81 77.591 24.515 41.579 1.00 1.00 O ATOM 1293 OE2 GLU A 81 77.959 23.437 43.468 1.00 1.00 O ATOM 0 H GLU A 81 74.689 19.445 42.180 1.00 1.00 H new ATOM 0 HA GLU A 81 74.024 21.817 40.641 1.00 1.00 H new ATOM 0 HB2 GLU A 81 76.802 21.093 41.630 1.00 1.00 H new ATOM 0 HB3 GLU A 81 76.491 22.228 40.332 1.00 1.00 H new ATOM 0 HG2 GLU A 81 75.160 23.644 41.947 1.00 1.00 H new ATOM 0 HG3 GLU A 81 75.600 22.538 43.233 1.00 1.00 H new ATOM 1300 N ASP A 82 74.111 19.845 38.890 1.00 1.00 N ATOM 1301 CA ASP A 82 74.367 19.034 37.732 1.00 1.00 C ATOM 1302 C ASP A 82 74.906 19.790 36.558 1.00 1.00 C ATOM 1303 O ASP A 82 74.931 21.019 36.540 1.00 1.00 O ATOM 1304 CB ASP A 82 73.151 18.195 37.289 1.00 1.00 C ATOM 1305 CG ASP A 82 73.659 16.765 37.241 1.00 1.00 C ATOM 1306 OD1 ASP A 82 74.558 16.453 36.417 1.00 1.00 O ATOM 1307 OD2 ASP A 82 73.271 15.952 38.117 1.00 1.00 O ATOM 0 H ASP A 82 73.154 20.193 38.953 1.00 1.00 H new ATOM 0 HA ASP A 82 75.149 18.356 38.074 1.00 1.00 H new ATOM 0 HB2 ASP A 82 72.324 18.297 37.991 1.00 1.00 H new ATOM 0 HB3 ASP A 82 72.783 18.516 36.315 1.00 1.00 H new ATOM 1312 N THR A 83 75.363 19.055 35.527 1.00 1.00 N ATOM 1313 CA THR A 83 75.866 19.595 34.294 1.00 1.00 C ATOM 1314 C THR A 83 75.235 18.920 33.115 1.00 1.00 C ATOM 1315 O THR A 83 75.391 17.720 32.893 1.00 1.00 O ATOM 1316 CB THR A 83 77.361 19.500 34.149 1.00 1.00 C ATOM 1317 OG1 THR A 83 78.007 20.238 35.178 1.00 1.00 O ATOM 1318 CG2 THR A 83 77.847 20.131 32.832 1.00 1.00 C ATOM 0 H THR A 83 75.384 18.036 35.551 1.00 1.00 H new ATOM 0 HA THR A 83 75.602 20.652 34.324 1.00 1.00 H new ATOM 0 HB THR A 83 77.600 18.437 34.187 1.00 1.00 H new ATOM 0 HG1 THR A 83 78.979 20.166 35.072 1.00 1.00 H new ATOM 0 HG21 THR A 83 78.931 20.042 32.765 1.00 1.00 H new ATOM 0 HG22 THR A 83 77.388 19.614 31.990 1.00 1.00 H new ATOM 0 HG23 THR A 83 77.567 21.184 32.808 1.00 1.00 H new ATOM 1326 N ILE A 84 74.510 19.703 32.295 1.00 1.00 N ATOM 1327 CA ILE A 84 73.856 19.324 31.075 1.00 1.00 C ATOM 1328 C ILE A 84 74.652 19.876 29.933 1.00 1.00 C ATOM 1329 O ILE A 84 75.159 20.994 30.003 1.00 1.00 O ATOM 1330 CB ILE A 84 72.449 19.858 30.982 1.00 1.00 C ATOM 1331 CG1 ILE A 84 71.613 19.639 32.259 1.00 1.00 C ATOM 1332 CG2 ILE A 84 71.722 19.278 29.754 1.00 1.00 C ATOM 1333 CD1 ILE A 84 71.448 18.184 32.697 1.00 1.00 C ATOM 0 H ILE A 84 74.369 20.691 32.505 1.00 1.00 H new ATOM 0 HA ILE A 84 73.796 18.236 31.047 1.00 1.00 H new ATOM 0 HB ILE A 84 72.549 20.937 30.867 1.00 1.00 H new ATOM 0 HG12 ILE A 84 72.075 20.195 33.074 1.00 1.00 H new ATOM 0 HG13 ILE A 84 70.623 20.067 32.102 1.00 1.00 H new ATOM 0 HG21 ILE A 84 70.709 19.678 29.708 1.00 1.00 H new ATOM 0 HG22 ILE A 84 72.262 19.553 28.848 1.00 1.00 H new ATOM 0 HG23 ILE A 84 71.680 18.192 29.835 1.00 1.00 H new ATOM 0 HD11 ILE A 84 70.844 18.143 33.604 1.00 1.00 H new ATOM 0 HD12 ILE A 84 70.954 17.620 31.906 1.00 1.00 H new ATOM 0 HD13 ILE A 84 72.428 17.750 32.894 1.00 1.00 H new ATOM 1345 N ASP A 85 74.809 19.124 28.828 1.00 1.00 N ATOM 1346 CA ASP A 85 75.635 19.504 27.720 1.00 1.00 C ATOM 1347 C ASP A 85 74.765 19.813 26.540 1.00 1.00 C ATOM 1348 O ASP A 85 73.735 19.179 26.318 1.00 1.00 O ATOM 1349 CB ASP A 85 76.566 18.333 27.351 1.00 1.00 C ATOM 1350 CG ASP A 85 77.547 18.060 28.475 1.00 1.00 C ATOM 1351 OD1 ASP A 85 78.449 18.901 28.734 1.00 1.00 O ATOM 1352 OD2 ASP A 85 77.486 16.975 29.110 1.00 1.00 O ATOM 0 H ASP A 85 74.347 18.223 28.700 1.00 1.00 H new ATOM 0 HA ASP A 85 76.226 20.379 27.991 1.00 1.00 H new ATOM 0 HB2 ASP A 85 75.975 17.439 27.151 1.00 1.00 H new ATOM 0 HB3 ASP A 85 77.109 18.567 26.435 1.00 1.00 H new ATOM 1357 N VAL A 86 75.127 20.831 25.737 1.00 1.00 N ATOM 1358 CA VAL A 86 74.335 21.288 24.631 1.00 1.00 C ATOM 1359 C VAL A 86 75.001 20.896 23.351 1.00 1.00 C ATOM 1360 O VAL A 86 76.222 20.968 23.223 1.00 1.00 O ATOM 1361 CB VAL A 86 74.167 22.785 24.609 1.00 1.00 C ATOM 1362 CG1 VAL A 86 73.159 23.244 23.540 1.00 1.00 C ATOM 1363 CG2 VAL A 86 73.690 23.263 25.990 1.00 1.00 C ATOM 0 H VAL A 86 75.995 21.353 25.859 1.00 1.00 H new ATOM 0 HA VAL A 86 73.352 20.830 24.742 1.00 1.00 H new ATOM 0 HB VAL A 86 75.135 23.221 24.361 1.00 1.00 H new ATOM 0 HG11 VAL A 86 73.073 24.330 23.564 1.00 1.00 H new ATOM 0 HG12 VAL A 86 73.504 22.929 22.555 1.00 1.00 H new ATOM 0 HG13 VAL A 86 72.185 22.798 23.743 1.00 1.00 H new ATOM 0 HG21 VAL A 86 73.567 24.346 25.978 1.00 1.00 H new ATOM 0 HG22 VAL A 86 72.736 22.792 26.228 1.00 1.00 H new ATOM 0 HG23 VAL A 86 74.428 22.990 26.744 1.00 1.00 H new ATOM 1373 N PHE A 87 74.215 20.456 22.353 1.00 1.00 N ATOM 1374 CA PHE A 87 74.670 20.328 21.000 1.00 1.00 C ATOM 1375 C PHE A 87 73.757 21.138 20.134 1.00 1.00 C ATOM 1376 O PHE A 87 72.547 21.216 20.343 1.00 1.00 O ATOM 1377 CB PHE A 87 74.711 18.845 20.590 1.00 1.00 C ATOM 1378 CG PHE A 87 75.733 18.570 19.537 1.00 1.00 C ATOM 1379 CD1 PHE A 87 75.419 18.676 18.194 1.00 1.00 C ATOM 1380 CD2 PHE A 87 77.019 18.208 19.898 1.00 1.00 C ATOM 1381 CE1 PHE A 87 76.372 18.423 17.224 1.00 1.00 C ATOM 1382 CE2 PHE A 87 77.979 17.953 18.936 1.00 1.00 C ATOM 1383 CZ PHE A 87 77.653 18.059 17.596 1.00 1.00 C ATOM 0 H PHE A 87 73.241 20.183 22.487 1.00 1.00 H new ATOM 0 HA PHE A 87 75.687 20.704 20.888 1.00 1.00 H new ATOM 0 HB2 PHE A 87 74.925 18.235 21.467 1.00 1.00 H new ATOM 0 HB3 PHE A 87 73.729 18.545 20.225 1.00 1.00 H new ATOM 0 HD1 PHE A 87 74.419 18.959 17.900 1.00 1.00 H new ATOM 0 HD2 PHE A 87 77.276 18.124 20.944 1.00 1.00 H new ATOM 0 HE1 PHE A 87 76.116 18.510 16.178 1.00 1.00 H new ATOM 0 HE2 PHE A 87 78.980 17.672 19.230 1.00 1.00 H new ATOM 0 HZ PHE A 87 78.398 17.858 16.841 1.00 1.00 H new ATOM 1393 N GLN A 88 74.330 21.822 19.132 1.00 1.00 N ATOM 1394 CA GLN A 88 73.619 22.708 18.257 1.00 1.00 C ATOM 1395 C GLN A 88 73.029 21.935 17.119 1.00 1.00 C ATOM 1396 O GLN A 88 73.678 21.080 16.520 1.00 1.00 O ATOM 1397 CB GLN A 88 74.532 23.844 17.757 1.00 1.00 C ATOM 1398 CG GLN A 88 74.988 24.756 18.904 1.00 1.00 C ATOM 1399 CD GLN A 88 75.994 25.808 18.451 1.00 1.00 C ATOM 1400 OE1 GLN A 88 75.838 26.491 17.440 1.00 1.00 O ATOM 1401 NE2 GLN A 88 77.082 25.981 19.246 1.00 1.00 N ATOM 0 H GLN A 88 75.326 21.759 18.920 1.00 1.00 H new ATOM 0 HA GLN A 88 72.805 23.173 18.813 1.00 1.00 H new ATOM 0 HB2 GLN A 88 75.405 23.418 17.263 1.00 1.00 H new ATOM 0 HB3 GLN A 88 74.001 24.436 17.011 1.00 1.00 H new ATOM 0 HG2 GLN A 88 74.119 25.252 19.337 1.00 1.00 H new ATOM 0 HG3 GLN A 88 75.433 24.148 19.692 1.00 1.00 H new ATOM 0 HE21 GLN A 88 77.199 25.408 20.082 1.00 1.00 H new ATOM 0 HE22 GLN A 88 77.781 26.684 19.007 1.00 1.00 H new ATOM 1410 N GLN A 89 71.743 22.175 16.803 1.00 1.00 N ATOM 1411 CA GLN A 89 70.978 21.279 15.985 1.00 1.00 C ATOM 1412 C GLN A 89 70.106 22.000 15.005 1.00 1.00 C ATOM 1413 O GLN A 89 69.671 23.127 15.229 1.00 1.00 O ATOM 1414 CB GLN A 89 70.116 20.370 16.883 1.00 1.00 C ATOM 1415 CG GLN A 89 69.976 18.927 16.380 1.00 1.00 C ATOM 1416 CD GLN A 89 71.326 18.221 16.406 1.00 1.00 C ATOM 1417 OE1 GLN A 89 71.928 17.911 15.379 1.00 1.00 O ATOM 1418 NE2 GLN A 89 71.848 17.990 17.639 1.00 1.00 N ATOM 0 H GLN A 89 71.227 22.997 17.117 1.00 1.00 H new ATOM 0 HA GLN A 89 71.683 20.681 15.408 1.00 1.00 H new ATOM 0 HB2 GLN A 89 70.549 20.352 17.883 1.00 1.00 H new ATOM 0 HB3 GLN A 89 69.122 20.808 16.974 1.00 1.00 H new ATOM 0 HG2 GLN A 89 69.264 18.386 17.003 1.00 1.00 H new ATOM 0 HG3 GLN A 89 69.578 18.926 15.365 1.00 1.00 H new ATOM 0 HE21 GLN A 89 71.325 18.258 18.473 1.00 1.00 H new ATOM 0 HE22 GLN A 89 72.763 17.548 17.731 1.00 1.00 H new ATOM 1481 N VAL B 966 72.528 31.814 38.457 1.00 1.00 N ATOM 1482 CA VAL B 966 71.907 32.577 37.412 1.00 1.00 C ATOM 1483 C VAL B 966 70.462 32.815 37.714 1.00 1.00 C ATOM 1484 O VAL B 966 69.997 33.916 38.009 1.00 1.00 O ATOM 1485 CB VAL B 966 72.093 31.962 36.048 1.00 1.00 C ATOM 1486 CG1 VAL B 966 71.508 32.865 34.952 1.00 1.00 C ATOM 1487 CG2 VAL B 966 73.581 31.708 35.749 1.00 1.00 C ATOM 0 HA VAL B 966 72.414 33.541 37.381 1.00 1.00 H new ATOM 0 HB VAL B 966 71.563 31.010 36.052 1.00 1.00 H new ATOM 0 HG11 VAL B 966 71.656 32.398 33.978 1.00 1.00 H new ATOM 0 HG12 VAL B 966 70.442 33.007 35.128 1.00 1.00 H new ATOM 0 HG13 VAL B 966 72.011 33.832 34.970 1.00 1.00 H new ATOM 0 HG21 VAL B 966 73.683 31.264 34.759 1.00 1.00 H new ATOM 0 HG22 VAL B 966 74.125 32.652 35.781 1.00 1.00 H new ATOM 0 HG23 VAL B 966 73.991 31.028 36.495 1.00 1.00 H new ATOM 1497 N ILE B 967 69.701 31.712 37.650 1.00 1.00 N ATOM 1498 CA ILE B 967 68.269 31.631 37.641 1.00 1.00 C ATOM 1499 C ILE B 967 67.749 30.982 38.889 1.00 1.00 C ATOM 1500 O ILE B 967 68.058 29.834 39.202 1.00 1.00 O ATOM 1501 CB ILE B 967 67.853 30.915 36.380 1.00 1.00 C ATOM 1502 CG1 ILE B 967 67.660 31.910 35.221 1.00 1.00 C ATOM 1503 CG2 ILE B 967 66.592 30.045 36.520 1.00 1.00 C ATOM 1504 CD1 ILE B 967 68.052 31.338 33.856 1.00 1.00 C ATOM 0 H ILE B 967 70.127 30.787 37.600 1.00 1.00 H new ATOM 0 HA ILE B 967 67.829 32.628 37.638 1.00 1.00 H new ATOM 0 HB ILE B 967 68.676 30.233 36.166 1.00 1.00 H new ATOM 0 HG12 ILE B 967 66.616 32.222 35.190 1.00 1.00 H new ATOM 0 HG13 ILE B 967 68.253 32.803 35.416 1.00 1.00 H new ATOM 0 HG21 ILE B 967 66.370 29.570 35.564 1.00 1.00 H new ATOM 0 HG22 ILE B 967 66.761 29.278 37.276 1.00 1.00 H new ATOM 0 HG23 ILE B 967 65.750 30.670 36.819 1.00 1.00 H new ATOM 0 HD11 ILE B 967 67.891 32.092 33.086 1.00 1.00 H new ATOM 0 HD12 ILE B 967 69.104 31.052 33.870 1.00 1.00 H new ATOM 0 HD13 ILE B 967 67.441 30.462 33.640 1.00 1.00 H new ATOM 1516 N ASP B 968 66.944 31.705 39.690 1.00 1.00 N ATOM 1517 CA ASP B 968 66.198 31.186 40.801 1.00 1.00 C ATOM 1518 C ASP B 968 64.765 31.019 40.397 1.00 1.00 C ATOM 1519 O ASP B 968 64.126 32.028 40.103 1.00 1.00 O ATOM 1520 CB ASP B 968 66.249 32.187 41.971 1.00 1.00 C ATOM 1521 CG ASP B 968 67.664 32.377 42.489 1.00 1.00 C ATOM 1522 OD1 ASP B 968 68.122 31.555 43.326 1.00 1.00 O ATOM 1523 OD2 ASP B 968 68.313 33.385 42.104 1.00 1.00 O ATOM 0 H ASP B 968 66.805 32.707 39.556 1.00 1.00 H new ATOM 0 HA ASP B 968 66.627 30.230 41.103 1.00 1.00 H new ATOM 0 HB2 ASP B 968 65.849 33.147 41.646 1.00 1.00 H new ATOM 0 HB3 ASP B 968 65.610 31.833 42.780 1.00 1.00 H new ATOM 1528 N LEU B 969 64.187 29.801 40.317 1.00 1.00 N ATOM 1529 CA LEU B 969 62.839 29.688 39.829 1.00 1.00 C ATOM 1530 C LEU B 969 61.807 29.351 40.860 1.00 1.00 C ATOM 1531 O LEU B 969 62.007 28.548 41.770 1.00 1.00 O ATOM 1532 CB LEU B 969 62.698 28.801 38.578 1.00 1.00 C ATOM 1533 CG LEU B 969 63.435 27.458 38.661 1.00 1.00 C ATOM 1534 CD1 LEU B 969 62.786 26.390 37.773 1.00 1.00 C ATOM 1535 CD2 LEU B 969 64.896 27.583 38.206 1.00 1.00 C ATOM 0 H LEU B 969 64.633 28.922 40.580 1.00 1.00 H new ATOM 0 HA LEU B 969 62.617 30.711 39.524 1.00 1.00 H new ATOM 0 HB2 LEU B 969 61.640 28.609 38.402 1.00 1.00 H new ATOM 0 HB3 LEU B 969 63.070 29.352 37.714 1.00 1.00 H new ATOM 0 HG LEU B 969 63.381 27.165 39.709 1.00 1.00 H new ATOM 0 HD11 LEU B 969 63.340 25.456 37.863 1.00 1.00 H new ATOM 0 HD12 LEU B 969 61.755 26.232 38.089 1.00 1.00 H new ATOM 0 HD13 LEU B 969 62.801 26.722 36.735 1.00 1.00 H new ATOM 0 HD21 LEU B 969 65.384 26.611 38.279 1.00 1.00 H new ATOM 0 HD22 LEU B 969 64.927 27.928 37.172 1.00 1.00 H new ATOM 0 HD23 LEU B 969 65.415 28.299 38.843 1.00 1.00 H new