USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 803 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 70 GLN : amide:sc= -3.69! K(o=-4.8!,f=-5.5) USER MOD Set 1.2: A 97 SER OG : rot 169:sc= -1.13 USER MOD Set 2.1: A 52 GLN :FLIP amide:sc= 0.315 F(o=-0.84,f=0.2) USER MOD Set 2.2: A 116 THR OG1 : rot -104:sc= -0.115 USER MOD Set 3.1: A 46 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Set 3.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.019) USER MOD Single : A 23 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.2) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.177 F(o=-1.2,f=-0.18) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc=-0.000799 X(o=-0.0008,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.302 K(o=0.3,f=-0.86) USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= 1.26 (180deg=0.757) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 176:sc= -0.293 USER MOD Single : A 65 MET CE :methyl -145:sc= -3.84! (180deg=-5.42!) USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= -0.672 (180deg=-1.42) USER MOD Single : A 83 ASN : amide:sc= -0.0626 X(o=-0.063,f=0) USER MOD Single : A 89 ASN : amide:sc= -2.77! C(o=-2.8!,f=-3.5!) USER MOD Single : A 90 TYR OH : rot 175:sc= -0.554 USER MOD Single : A 94 GLN : amide:sc= -1.23 K(o=-1.2,f=-5.5!) USER MOD Single : A 95 THR OG1 : rot 68:sc= 1.18 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 60:sc= 0.0385 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -174:sc= -0.498 (180deg=-0.518) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 295 N LEU A 18 -13.625 14.403 4.584 1.00 0.00 N ATOM 296 CA LEU A 18 -14.139 13.056 4.357 1.00 0.00 C ATOM 297 C LEU A 18 -13.479 12.421 3.138 1.00 0.00 C ATOM 298 O LEU A 18 -12.718 11.460 3.261 1.00 0.00 O ATOM 299 CB LEU A 18 -15.656 13.092 4.172 1.00 0.00 C ATOM 300 CG LEU A 18 -16.492 12.678 5.383 1.00 0.00 C ATOM 301 CD1 LEU A 18 -16.045 13.435 6.624 1.00 0.00 C ATOM 302 CD2 LEU A 18 -17.972 12.913 5.116 1.00 0.00 C ATOM 0 HA LEU A 18 -13.902 12.450 5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.943 14.104 3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -15.915 12.441 3.337 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.340 11.613 5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -16.651 13.127 7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.997 13.215 6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.166 14.506 6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.551 12.613 5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.142 13.971 4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.284 12.324 4.253 1.00 0.00 H new ATOM 314 N ILE A 19 -13.775 12.963 1.962 1.00 0.00 N ATOM 315 CA ILE A 19 -13.209 12.452 0.720 1.00 0.00 C ATOM 316 C ILE A 19 -11.691 12.334 0.815 1.00 0.00 C ATOM 317 O ILE A 19 -11.107 11.346 0.374 1.00 0.00 O ATOM 318 CB ILE A 19 -13.569 13.352 -0.476 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.067 13.263 -0.776 1.00 0.00 C ATOM 320 CG2 ILE A 19 -12.754 12.958 -1.700 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.514 11.889 -1.222 1.00 0.00 C ATOM 0 H ILE A 19 -14.404 13.757 1.843 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.639 11.463 0.561 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.329 14.384 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.625 13.546 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.318 13.987 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.020 13.603 -2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.692 13.067 -1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.966 11.921 -1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.586 11.901 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.983 11.611 -2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.295 11.163 -0.439 1.00 0.00 H new ATOM 333 N GLU A 20 -11.060 13.351 1.396 1.00 0.00 N ATOM 334 CA GLU A 20 -9.610 13.360 1.551 1.00 0.00 C ATOM 335 C GLU A 20 -9.126 12.078 2.220 1.00 0.00 C ATOM 336 O GLU A 20 -8.247 11.389 1.702 1.00 0.00 O ATOM 337 CB GLU A 20 -9.170 14.575 2.370 1.00 0.00 C ATOM 338 CG GLU A 20 -9.115 15.864 1.568 1.00 0.00 C ATOM 339 CD GLU A 20 -7.966 15.886 0.579 1.00 0.00 C ATOM 340 OE1 GLU A 20 -7.348 14.823 0.363 1.00 0.00 O ATOM 341 OE2 GLU A 20 -7.684 16.968 0.023 1.00 0.00 O ATOM 0 H GLU A 20 -11.530 14.177 1.766 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.165 13.420 0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.857 14.707 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.185 14.379 2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.055 15.994 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.019 16.708 2.250 1.00 0.00 H new ATOM 348 N GLN A 21 -9.705 11.765 3.376 1.00 0.00 N ATOM 349 CA GLN A 21 -9.330 10.567 4.117 1.00 0.00 C ATOM 350 C GLN A 21 -9.613 9.311 3.299 1.00 0.00 C ATOM 351 O GLN A 21 -8.804 8.383 3.271 1.00 0.00 O ATOM 352 CB GLN A 21 -10.088 10.506 5.444 1.00 0.00 C ATOM 353 CG GLN A 21 -9.321 9.801 6.551 1.00 0.00 C ATOM 354 CD GLN A 21 -8.233 10.670 7.151 1.00 0.00 C ATOM 355 OE1 GLN A 21 -8.511 11.715 7.741 1.00 0.00 O ATOM 356 NE2 GLN A 21 -6.984 10.241 7.006 1.00 0.00 N ATOM 0 H GLN A 21 -10.434 12.324 3.818 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.260 10.614 4.319 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.323 11.521 5.766 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.037 9.993 5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.016 9.502 7.336 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.875 8.889 6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.799 9.369 6.510 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.211 10.783 7.391 1.00 0.00 H new ATOM 365 N ALA A 22 -10.764 9.288 2.636 1.00 0.00 N ATOM 366 CA ALA A 22 -11.151 8.147 1.816 1.00 0.00 C ATOM 367 C ALA A 22 -10.139 7.903 0.701 1.00 0.00 C ATOM 368 O ALA A 22 -9.718 6.771 0.470 1.00 0.00 O ATOM 369 CB ALA A 22 -12.539 8.362 1.233 1.00 0.00 C ATOM 0 H ALA A 22 -11.445 10.047 2.651 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.170 7.263 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.815 7.502 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.260 8.479 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.539 9.260 0.615 1.00 0.00 H new ATOM 375 N ASN A 23 -9.755 8.974 0.013 1.00 0.00 N ATOM 376 CA ASN A 23 -8.793 8.874 -1.079 1.00 0.00 C ATOM 377 C ASN A 23 -7.443 8.377 -0.572 1.00 0.00 C ATOM 378 O ASN A 23 -6.801 7.538 -1.204 1.00 0.00 O ATOM 379 CB ASN A 23 -8.625 10.233 -1.762 1.00 0.00 C ATOM 380 CG ASN A 23 -9.510 10.380 -2.985 1.00 0.00 C ATOM 381 OD1 ASN A 23 -9.414 9.599 -3.931 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.378 11.385 -2.969 1.00 0.00 N ATOM 0 H ASN A 23 -10.094 9.919 0.192 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.176 8.154 -1.803 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.859 11.025 -1.051 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.583 10.364 -2.053 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.000 11.534 -3.763 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.422 12.008 -2.162 1.00 0.00 H new ATOM 389 N HIS A 24 -7.018 8.900 0.574 1.00 0.00 N ATOM 390 CA HIS A 24 -5.745 8.508 1.167 1.00 0.00 C ATOM 391 C HIS A 24 -5.761 7.036 1.566 1.00 0.00 C ATOM 392 O HIS A 24 -4.756 6.337 1.440 1.00 0.00 O ATOM 393 CB HIS A 24 -5.438 9.376 2.388 1.00 0.00 C ATOM 394 CG HIS A 24 -3.974 9.519 2.669 1.00 0.00 C ATOM 395 ND1 HIS A 24 -3.140 10.325 1.922 1.00 0.00 N ATOM 396 CD2 HIS A 24 -3.197 8.957 3.623 1.00 0.00 C ATOM 397 CE1 HIS A 24 -1.912 10.249 2.403 1.00 0.00 C ATOM 398 NE2 HIS A 24 -1.919 9.425 3.436 1.00 0.00 N ATOM 0 H HIS A 24 -7.537 9.596 1.110 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.965 8.655 0.420 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.869 10.366 2.237 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -5.927 8.945 3.262 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.521 8.268 4.389 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.049 10.772 2.017 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -1.108 9.177 4.002 1.00 0.00 H new ATOM 406 N ALA A 25 -6.909 6.571 2.050 1.00 0.00 N ATOM 407 CA ALA A 25 -7.057 5.182 2.466 1.00 0.00 C ATOM 408 C ALA A 25 -6.967 4.239 1.271 1.00 0.00 C ATOM 409 O ALA A 25 -6.203 3.273 1.287 1.00 0.00 O ATOM 410 CB ALA A 25 -8.377 4.988 3.196 1.00 0.00 C ATOM 0 H ALA A 25 -7.750 7.137 2.163 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.240 4.943 3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.474 3.946 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.403 5.628 4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.201 5.251 2.533 1.00 0.00 H new ATOM 416 N ILE A 26 -7.752 4.524 0.237 1.00 0.00 N ATOM 417 CA ILE A 26 -7.760 3.700 -0.965 1.00 0.00 C ATOM 418 C ILE A 26 -6.408 3.741 -1.668 1.00 0.00 C ATOM 419 O ILE A 26 -5.980 2.757 -2.271 1.00 0.00 O ATOM 420 CB ILE A 26 -8.853 4.154 -1.951 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.627 5.610 -2.361 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.231 3.979 -1.330 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.665 6.133 -3.329 1.00 0.00 C ATOM 0 H ILE A 26 -8.390 5.319 0.208 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.970 2.679 -0.647 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.798 3.533 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.627 6.235 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.640 5.702 -2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.993 4.304 -2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.388 2.929 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.300 4.579 -0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.442 7.171 -3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.650 5.532 -4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.652 6.073 -2.871 1.00 0.00 H new ATOM 435 N GLU A 27 -5.738 4.887 -1.585 1.00 0.00 N ATOM 436 CA GLU A 27 -4.433 5.055 -2.214 1.00 0.00 C ATOM 437 C GLU A 27 -3.385 4.178 -1.534 1.00 0.00 C ATOM 438 O GLU A 27 -2.754 3.336 -2.174 1.00 0.00 O ATOM 439 CB GLU A 27 -4.001 6.521 -2.157 1.00 0.00 C ATOM 440 CG GLU A 27 -2.803 6.837 -3.038 1.00 0.00 C ATOM 441 CD GLU A 27 -2.748 8.297 -3.444 1.00 0.00 C ATOM 442 OE1 GLU A 27 -3.629 8.731 -4.215 1.00 0.00 O ATOM 443 OE2 GLU A 27 -1.823 9.005 -2.994 1.00 0.00 O ATOM 0 H GLU A 27 -6.077 5.711 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.518 4.748 -3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.839 7.150 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.762 6.781 -1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.887 6.576 -2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.841 6.216 -3.933 1.00 0.00 H new ATOM 450 N LYS A 28 -3.205 4.381 -0.233 1.00 0.00 N ATOM 451 CA LYS A 28 -2.235 3.609 0.535 1.00 0.00 C ATOM 452 C LYS A 28 -2.499 2.113 0.400 1.00 0.00 C ATOM 453 O LYS A 28 -1.599 1.341 0.073 1.00 0.00 O ATOM 454 CB LYS A 28 -2.282 4.015 2.009 1.00 0.00 C ATOM 455 CG LYS A 28 -1.167 3.410 2.844 1.00 0.00 C ATOM 456 CD LYS A 28 -1.418 3.597 4.330 1.00 0.00 C ATOM 457 CE LYS A 28 -1.204 5.042 4.755 1.00 0.00 C ATOM 458 NZ LYS A 28 -0.965 5.160 6.220 1.00 0.00 N ATOM 0 H LYS A 28 -3.718 5.074 0.312 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.243 3.822 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.228 5.101 2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.242 3.715 2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.080 2.347 2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.217 3.872 2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.437 3.294 4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.751 2.947 4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.354 5.458 4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.077 5.634 4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.824 6.160 6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.787 4.787 6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.117 4.616 6.478 1.00 0.00 H new ATOM 472 N GLY A 29 -3.742 1.711 0.649 1.00 0.00 N ATOM 473 CA GLY A 29 -4.102 0.309 0.549 1.00 0.00 C ATOM 474 C GLY A 29 -3.829 -0.262 -0.828 1.00 0.00 C ATOM 475 O GLY A 29 -3.260 -1.346 -0.955 1.00 0.00 O ATOM 0 H GLY A 29 -4.506 2.331 0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.544 -0.260 1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.160 0.191 0.785 1.00 0.00 H new ATOM 479 N GLU A 30 -4.234 0.469 -1.862 1.00 0.00 N ATOM 480 CA GLU A 30 -4.030 0.025 -3.236 1.00 0.00 C ATOM 481 C GLU A 30 -2.554 -0.245 -3.508 1.00 0.00 C ATOM 482 O GLU A 30 -2.197 -1.257 -4.112 1.00 0.00 O ATOM 483 CB GLU A 30 -4.557 1.076 -4.217 1.00 0.00 C ATOM 484 CG GLU A 30 -4.340 0.709 -5.676 1.00 0.00 C ATOM 485 CD GLU A 30 -2.990 1.164 -6.196 1.00 0.00 C ATOM 486 OE1 GLU A 30 -2.464 2.172 -5.680 1.00 0.00 O ATOM 487 OE2 GLU A 30 -2.461 0.511 -7.120 1.00 0.00 O ATOM 0 H GLU A 30 -4.704 1.370 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.582 -0.904 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.623 1.222 -4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.067 2.028 -4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.425 -0.372 -5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.128 1.157 -6.281 1.00 0.00 H new ATOM 494 N HIS A 31 -1.699 0.668 -3.058 1.00 0.00 N ATOM 495 CA HIS A 31 -0.260 0.529 -3.252 1.00 0.00 C ATOM 496 C HIS A 31 0.266 -0.717 -2.545 1.00 0.00 C ATOM 497 O HIS A 31 1.002 -1.509 -3.131 1.00 0.00 O ATOM 498 CB HIS A 31 0.468 1.770 -2.734 1.00 0.00 C ATOM 499 CG HIS A 31 1.928 1.792 -3.072 1.00 0.00 C ATOM 500 ND1 HIS A 31 2.913 1.436 -2.176 1.00 0.00 N ATOM 501 CD2 HIS A 31 2.566 2.131 -4.216 1.00 0.00 C ATOM 502 CE1 HIS A 31 4.095 1.555 -2.754 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.912 1.975 -3.993 1.00 0.00 N ATOM 0 H HIS A 31 -1.978 1.512 -2.557 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.071 0.426 -4.320 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.006 2.659 -3.149 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.353 1.823 -1.651 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.103 2.463 -5.134 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.048 1.345 -2.292 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.650 2.154 -4.673 1.00 0.00 H new ATOM 511 N GLN A 32 -0.116 -0.879 -1.282 1.00 0.00 N ATOM 512 CA GLN A 32 0.319 -2.027 -0.494 1.00 0.00 C ATOM 513 C GLN A 32 -0.188 -3.329 -1.105 1.00 0.00 C ATOM 514 O GLN A 32 0.444 -4.378 -0.972 1.00 0.00 O ATOM 515 CB GLN A 32 -0.174 -1.900 0.948 1.00 0.00 C ATOM 516 CG GLN A 32 0.058 -0.523 1.549 1.00 0.00 C ATOM 517 CD GLN A 32 0.844 -0.577 2.845 1.00 0.00 C ATOM 518 OE1 GLN A 32 0.467 -1.494 3.728 1.00 0.00 O flip ATOM 519 NE2 GLN A 32 1.780 0.196 3.049 1.00 0.00 N flip ATOM 0 H GLN A 32 -0.725 -0.231 -0.783 1.00 0.00 H new ATOM 0 HA GLN A 32 1.409 -2.046 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.240 -2.127 0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.330 -2.646 1.563 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.592 0.098 0.830 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.904 -0.044 1.731 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.035 0.885 2.342 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.300 0.147 3.925 1.00 0.00 H new ATOM 528 N LEU A 33 -1.334 -3.256 -1.774 1.00 0.00 N ATOM 529 CA LEU A 33 -1.928 -4.430 -2.405 1.00 0.00 C ATOM 530 C LEU A 33 -1.132 -4.847 -3.637 1.00 0.00 C ATOM 531 O LEU A 33 -0.738 -6.006 -3.772 1.00 0.00 O ATOM 532 CB LEU A 33 -3.380 -4.144 -2.794 1.00 0.00 C ATOM 533 CG LEU A 33 -4.117 -5.275 -3.511 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.862 -5.215 -5.009 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.696 -6.626 -2.950 1.00 0.00 C ATOM 0 H LEU A 33 -1.870 -2.397 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.905 -5.249 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.934 -3.891 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.397 -3.263 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.186 -5.150 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.395 -6.028 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.214 -4.261 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.793 -5.313 -5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.231 -7.419 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.623 -6.759 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.932 -6.668 -1.887 1.00 0.00 H new ATOM 547 N LEU A 34 -0.896 -3.895 -4.533 1.00 0.00 N ATOM 548 CA LEU A 34 -0.144 -4.163 -5.754 1.00 0.00 C ATOM 549 C LEU A 34 1.287 -4.580 -5.431 1.00 0.00 C ATOM 550 O LEU A 34 1.892 -5.371 -6.157 1.00 0.00 O ATOM 551 CB LEU A 34 -0.135 -2.925 -6.654 1.00 0.00 C ATOM 552 CG LEU A 34 0.974 -1.908 -6.385 1.00 0.00 C ATOM 553 CD1 LEU A 34 2.205 -2.228 -7.218 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.484 -0.496 -6.673 1.00 0.00 C ATOM 0 H LEU A 34 -1.214 -2.931 -4.437 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.633 -4.983 -6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.055 -3.254 -7.690 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.096 -2.420 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 34 1.248 -1.968 -5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.984 -1.493 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.569 -3.223 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.946 -2.197 -8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.286 0.215 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.182 -0.422 -7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.368 -0.269 -6.032 1.00 0.00 H new ATOM 566 N TYR A 35 1.822 -4.048 -4.339 1.00 0.00 N ATOM 567 CA TYR A 35 3.182 -4.365 -3.920 1.00 0.00 C ATOM 568 C TYR A 35 3.251 -5.759 -3.304 1.00 0.00 C ATOM 569 O TYR A 35 4.157 -6.538 -3.602 1.00 0.00 O ATOM 570 CB TYR A 35 3.683 -3.326 -2.915 1.00 0.00 C ATOM 571 CG TYR A 35 4.999 -3.697 -2.267 1.00 0.00 C ATOM 572 CD1 TYR A 35 5.034 -4.472 -1.115 1.00 0.00 C ATOM 573 CD2 TYR A 35 6.206 -3.273 -2.809 1.00 0.00 C ATOM 574 CE1 TYR A 35 6.233 -4.811 -0.519 1.00 0.00 C ATOM 575 CE2 TYR A 35 7.410 -3.609 -2.221 1.00 0.00 C ATOM 576 CZ TYR A 35 7.418 -4.379 -1.077 1.00 0.00 C ATOM 577 OH TYR A 35 8.615 -4.717 -0.487 1.00 0.00 O ATOM 0 H TYR A 35 1.334 -3.394 -3.727 1.00 0.00 H new ATOM 0 HA TYR A 35 3.821 -4.345 -4.803 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.794 -2.367 -3.421 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.930 -3.191 -2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.108 -4.815 -0.678 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.203 -2.670 -3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.243 -5.411 0.379 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.339 -3.271 -2.655 1.00 0.00 H new ATOM 0 HH TYR A 35 9.354 -4.335 -1.005 1.00 0.00 H new ATOM 587 N LEU A 36 2.287 -6.067 -2.445 1.00 0.00 N ATOM 588 CA LEU A 36 2.236 -7.368 -1.786 1.00 0.00 C ATOM 589 C LEU A 36 1.901 -8.471 -2.785 1.00 0.00 C ATOM 590 O LEU A 36 2.308 -9.620 -2.615 1.00 0.00 O ATOM 591 CB LEU A 36 1.199 -7.352 -0.661 1.00 0.00 C ATOM 592 CG LEU A 36 1.595 -6.587 0.603 1.00 0.00 C ATOM 593 CD1 LEU A 36 0.356 -6.113 1.349 1.00 0.00 C ATOM 594 CD2 LEU A 36 2.461 -7.457 1.504 1.00 0.00 C ATOM 0 H LEU A 36 1.530 -5.434 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 36 3.219 -7.572 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.277 -6.920 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.976 -8.382 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 36 2.175 -5.712 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.656 -5.571 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.227 -5.455 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.250 -6.974 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.733 -6.897 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.906 -8.350 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.365 -7.748 0.969 1.00 0.00 H new ATOM 606 N GLN A 37 1.158 -8.113 -3.827 1.00 0.00 N ATOM 607 CA GLN A 37 0.770 -9.073 -4.855 1.00 0.00 C ATOM 608 C GLN A 37 1.984 -9.839 -5.369 1.00 0.00 C ATOM 609 O GLN A 37 1.897 -11.030 -5.672 1.00 0.00 O ATOM 610 CB GLN A 37 0.074 -8.358 -6.014 1.00 0.00 C ATOM 611 CG GLN A 37 -0.811 -9.270 -6.847 1.00 0.00 C ATOM 612 CD GLN A 37 -1.873 -8.510 -7.617 1.00 0.00 C ATOM 613 OE1 GLN A 37 -1.641 -8.065 -8.742 1.00 0.00 O ATOM 614 NE2 GLN A 37 -3.045 -8.356 -7.014 1.00 0.00 N ATOM 0 H GLN A 37 0.813 -7.166 -3.982 1.00 0.00 H new ATOM 0 HA GLN A 37 0.076 -9.785 -4.409 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.531 -7.543 -5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.829 -7.910 -6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.191 -9.830 -7.547 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.292 -9.998 -6.194 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.193 -8.741 -6.081 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.798 -7.852 -7.483 1.00 0.00 H new ATOM 623 N HIS A 38 3.116 -9.150 -5.466 1.00 0.00 N ATOM 624 CA HIS A 38 4.348 -9.765 -5.945 1.00 0.00 C ATOM 625 C HIS A 38 4.808 -10.869 -4.996 1.00 0.00 C ATOM 626 O HIS A 38 5.020 -12.007 -5.410 1.00 0.00 O ATOM 627 CB HIS A 38 5.447 -8.712 -6.092 1.00 0.00 C ATOM 628 CG HIS A 38 5.490 -8.077 -7.448 1.00 0.00 C ATOM 629 ND1 HIS A 38 4.397 -7.469 -8.029 1.00 0.00 N ATOM 630 CD2 HIS A 38 6.503 -7.955 -8.337 1.00 0.00 C ATOM 631 CE1 HIS A 38 4.735 -7.003 -9.217 1.00 0.00 C ATOM 632 NE2 HIS A 38 6.009 -7.284 -9.427 1.00 0.00 N ATOM 0 H HIS A 38 3.206 -8.164 -5.219 1.00 0.00 H new ATOM 0 HA HIS A 38 4.148 -10.208 -6.921 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.298 -7.936 -5.341 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.412 -9.175 -5.886 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.512 -8.318 -8.212 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.082 -6.481 -9.901 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.539 -7.041 -10.264 1.00 0.00 H new ATOM 640 N GLN A 39 4.961 -10.520 -3.722 1.00 0.00 N ATOM 641 CA GLN A 39 5.397 -11.481 -2.716 1.00 0.00 C ATOM 642 C GLN A 39 4.492 -12.709 -2.706 1.00 0.00 C ATOM 643 O GLN A 39 4.961 -13.838 -2.553 1.00 0.00 O ATOM 644 CB GLN A 39 5.409 -10.831 -1.331 1.00 0.00 C ATOM 645 CG GLN A 39 6.169 -9.515 -1.283 1.00 0.00 C ATOM 646 CD GLN A 39 6.784 -9.246 0.075 1.00 0.00 C ATOM 647 OE1 GLN A 39 8.004 -9.136 0.206 1.00 0.00 O ATOM 648 NE2 GLN A 39 5.942 -9.137 1.096 1.00 0.00 N ATOM 0 H GLN A 39 4.790 -9.581 -3.363 1.00 0.00 H new ATOM 0 HA GLN A 39 6.408 -11.800 -2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.381 -10.659 -1.010 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.854 -11.524 -0.617 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.955 -9.526 -2.038 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.493 -8.700 -1.539 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.938 -9.235 0.942 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.299 -8.955 2.034 1.00 0.00 H new ATOM 657 N LEU A 40 3.193 -12.481 -2.871 1.00 0.00 N ATOM 658 CA LEU A 40 2.221 -13.569 -2.881 1.00 0.00 C ATOM 659 C LEU A 40 2.446 -14.489 -4.077 1.00 0.00 C ATOM 660 O LEU A 40 2.521 -15.709 -3.930 1.00 0.00 O ATOM 661 CB LEU A 40 0.800 -13.008 -2.914 1.00 0.00 C ATOM 662 CG LEU A 40 -0.313 -14.015 -3.211 1.00 0.00 C ATOM 663 CD1 LEU A 40 -1.591 -13.628 -2.484 1.00 0.00 C ATOM 664 CD2 LEU A 40 -0.558 -14.111 -4.710 1.00 0.00 C ATOM 0 H LEU A 40 2.789 -11.553 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 40 2.354 -14.151 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.593 -12.541 -1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.759 -12.220 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 40 0.003 -14.994 -2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.371 -14.356 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.408 -13.611 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.912 -12.640 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.353 -14.832 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.853 -13.134 -5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.356 -14.436 -5.208 1.00 0.00 H new ATOM 676 N ASP A 41 2.552 -13.895 -5.261 1.00 0.00 N ATOM 677 CA ASP A 41 2.772 -14.660 -6.483 1.00 0.00 C ATOM 678 C ASP A 41 3.990 -15.567 -6.345 1.00 0.00 C ATOM 679 O ASP A 41 3.940 -16.746 -6.693 1.00 0.00 O ATOM 680 CB ASP A 41 2.956 -13.717 -7.674 1.00 0.00 C ATOM 681 CG ASP A 41 2.771 -14.422 -9.004 1.00 0.00 C ATOM 682 OD1 ASP A 41 1.829 -15.235 -9.118 1.00 0.00 O ATOM 683 OD2 ASP A 41 3.567 -14.162 -9.929 1.00 0.00 O ATOM 0 H ASP A 41 2.489 -12.887 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 41 1.895 -15.284 -6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.242 -12.897 -7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.952 -13.277 -7.635 1.00 0.00 H new ATOM 688 N GLU A 42 5.084 -15.009 -5.836 1.00 0.00 N ATOM 689 CA GLU A 42 6.315 -15.768 -5.654 1.00 0.00 C ATOM 690 C GLU A 42 6.185 -16.745 -4.489 1.00 0.00 C ATOM 691 O GLU A 42 6.827 -17.797 -4.470 1.00 0.00 O ATOM 692 CB GLU A 42 7.493 -14.822 -5.411 1.00 0.00 C ATOM 693 CG GLU A 42 7.396 -14.054 -4.103 1.00 0.00 C ATOM 694 CD GLU A 42 8.637 -13.229 -3.819 1.00 0.00 C ATOM 695 OE1 GLU A 42 9.048 -12.450 -4.703 1.00 0.00 O ATOM 696 OE2 GLU A 42 9.196 -13.364 -2.709 1.00 0.00 O ATOM 0 H GLU A 42 5.142 -14.034 -5.542 1.00 0.00 H new ATOM 0 HA GLU A 42 6.498 -16.338 -6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.418 -15.398 -5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.554 -14.112 -6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.527 -13.397 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.235 -14.756 -3.285 1.00 0.00 H new ATOM 703 N LEU A 43 5.349 -16.392 -3.520 1.00 0.00 N ATOM 704 CA LEU A 43 5.133 -17.237 -2.350 1.00 0.00 C ATOM 705 C LEU A 43 4.377 -18.507 -2.727 1.00 0.00 C ATOM 706 O LEU A 43 4.562 -19.557 -2.114 1.00 0.00 O ATOM 707 CB LEU A 43 4.359 -16.469 -1.276 1.00 0.00 C ATOM 708 CG LEU A 43 3.670 -17.318 -0.209 1.00 0.00 C ATOM 709 CD1 LEU A 43 3.667 -16.594 1.129 1.00 0.00 C ATOM 710 CD2 LEU A 43 2.251 -17.663 -0.634 1.00 0.00 C ATOM 0 H LEU A 43 4.809 -15.527 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 43 6.108 -17.521 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.048 -15.786 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.603 -15.857 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 43 4.229 -18.247 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.172 -17.214 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.694 -16.400 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.133 -15.649 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.777 -18.268 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.681 -16.745 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.277 -18.224 -1.568 1.00 0.00 H new ATOM 722 N ASN A 44 3.526 -18.403 -3.743 1.00 0.00 N ATOM 723 CA ASN A 44 2.743 -19.543 -4.204 1.00 0.00 C ATOM 724 C ASN A 44 3.642 -20.745 -4.481 1.00 0.00 C ATOM 725 O ASN A 44 3.307 -21.876 -4.134 1.00 0.00 O ATOM 726 CB ASN A 44 1.962 -19.176 -5.466 1.00 0.00 C ATOM 727 CG ASN A 44 0.568 -18.663 -5.156 1.00 0.00 C ATOM 728 OD1 ASN A 44 -0.430 -19.295 -5.502 1.00 0.00 O ATOM 729 ND2 ASN A 44 0.495 -17.512 -4.498 1.00 0.00 N ATOM 0 H ASN A 44 3.361 -17.541 -4.262 1.00 0.00 H new ATOM 0 HA ASN A 44 2.040 -19.811 -3.415 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.511 -18.415 -6.021 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.889 -20.051 -6.112 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.415 -17.118 -4.260 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.349 -17.022 -4.231 1.00 0.00 H new ATOM 736 N GLU A 45 4.786 -20.488 -5.108 1.00 0.00 N ATOM 737 CA GLU A 45 5.733 -21.548 -5.432 1.00 0.00 C ATOM 738 C GLU A 45 6.740 -21.742 -4.302 1.00 0.00 C ATOM 739 O GLU A 45 7.001 -22.866 -3.874 1.00 0.00 O ATOM 740 CB GLU A 45 6.467 -21.226 -6.735 1.00 0.00 C ATOM 741 CG GLU A 45 7.042 -22.451 -7.429 1.00 0.00 C ATOM 742 CD GLU A 45 7.771 -22.105 -8.713 1.00 0.00 C ATOM 743 OE1 GLU A 45 8.609 -21.180 -8.689 1.00 0.00 O ATOM 744 OE2 GLU A 45 7.503 -22.762 -9.741 1.00 0.00 O ATOM 0 H GLU A 45 5.079 -19.556 -5.401 1.00 0.00 H new ATOM 0 HA GLU A 45 5.173 -22.474 -5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.779 -20.723 -7.415 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.275 -20.526 -6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.728 -22.959 -6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.236 -23.151 -7.650 1.00 0.00 H new ATOM 751 N ASN A 46 7.304 -20.637 -3.824 1.00 0.00 N ATOM 752 CA ASN A 46 8.283 -20.684 -2.745 1.00 0.00 C ATOM 753 C ASN A 46 7.739 -21.460 -1.549 1.00 0.00 C ATOM 754 O ASN A 46 8.476 -22.179 -0.874 1.00 0.00 O ATOM 755 CB ASN A 46 8.668 -19.267 -2.315 1.00 0.00 C ATOM 756 CG ASN A 46 10.000 -19.223 -1.592 1.00 0.00 C ATOM 757 OD1 ASN A 46 10.585 -20.262 -1.282 1.00 0.00 O ATOM 758 ND2 ASN A 46 10.487 -18.019 -1.321 1.00 0.00 N ATOM 0 H ASN A 46 7.099 -19.699 -4.167 1.00 0.00 H new ATOM 0 HA ASN A 46 9.170 -21.198 -3.116 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.713 -18.624 -3.194 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.891 -18.864 -1.665 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.380 -17.927 -0.837 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.968 -17.185 -1.597 1.00 0.00 H new ATOM 765 N LYS A 47 6.445 -21.310 -1.293 1.00 0.00 N ATOM 766 CA LYS A 47 5.799 -21.998 -0.182 1.00 0.00 C ATOM 767 C LYS A 47 6.580 -21.790 1.112 1.00 0.00 C ATOM 768 O LYS A 47 6.605 -22.664 1.980 1.00 0.00 O ATOM 769 CB LYS A 47 5.677 -23.493 -0.482 1.00 0.00 C ATOM 770 CG LYS A 47 4.738 -23.807 -1.634 1.00 0.00 C ATOM 771 CD LYS A 47 3.292 -23.513 -1.272 1.00 0.00 C ATOM 772 CE LYS A 47 2.334 -24.430 -2.017 1.00 0.00 C ATOM 773 NZ LYS A 47 2.656 -24.505 -3.469 1.00 0.00 N ATOM 0 H LYS A 47 5.822 -20.717 -1.841 1.00 0.00 H new ATOM 0 HA LYS A 47 4.801 -21.577 -0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.666 -23.891 -0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.326 -24.007 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.022 -23.219 -2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.838 -24.857 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.153 -23.635 -0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.061 -22.474 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.376 -25.429 -1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.313 -24.070 -1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.828 -24.858 -3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.907 -23.558 -3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.458 -25.151 -3.614 1.00 0.00 H new ATOM 787 N SER A 48 7.214 -20.629 1.236 1.00 0.00 N ATOM 788 CA SER A 48 7.997 -20.308 2.424 1.00 0.00 C ATOM 789 C SER A 48 7.086 -19.961 3.598 1.00 0.00 C ATOM 790 O SER A 48 6.327 -18.993 3.546 1.00 0.00 O ATOM 791 CB SER A 48 8.944 -19.142 2.137 1.00 0.00 C ATOM 792 OG SER A 48 10.130 -19.591 1.502 1.00 0.00 O ATOM 0 H SER A 48 7.201 -19.894 0.528 1.00 0.00 H new ATOM 0 HA SER A 48 8.584 -21.187 2.690 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.443 -18.410 1.503 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.196 -18.636 3.069 1.00 0.00 H new ATOM 0 HG SER A 48 10.718 -18.826 1.328 1.00 0.00 H new ATOM 798 N LYS A 49 7.167 -20.759 4.657 1.00 0.00 N ATOM 799 CA LYS A 49 6.352 -20.539 5.846 1.00 0.00 C ATOM 800 C LYS A 49 6.565 -19.133 6.398 1.00 0.00 C ATOM 801 O LYS A 49 5.614 -18.467 6.807 1.00 0.00 O ATOM 802 CB LYS A 49 6.689 -21.575 6.920 1.00 0.00 C ATOM 803 CG LYS A 49 8.166 -21.631 7.270 1.00 0.00 C ATOM 804 CD LYS A 49 8.651 -23.064 7.414 1.00 0.00 C ATOM 805 CE LYS A 49 10.082 -23.220 6.921 1.00 0.00 C ATOM 806 NZ LYS A 49 11.057 -23.234 8.046 1.00 0.00 N ATOM 0 H LYS A 49 7.789 -21.565 4.716 1.00 0.00 H new ATOM 0 HA LYS A 49 5.305 -20.646 5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.119 -21.350 7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.368 -22.559 6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.744 -21.126 6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.341 -21.091 8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.590 -23.367 8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.996 -23.729 6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.171 -24.145 6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.323 -22.403 6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.020 -23.342 7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.990 -22.341 8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.843 -24.029 8.681 1.00 0.00 H new ATOM 820 N GLU A 50 7.818 -18.687 6.403 1.00 0.00 N ATOM 821 CA GLU A 50 8.153 -17.359 6.904 1.00 0.00 C ATOM 822 C GLU A 50 7.520 -16.275 6.037 1.00 0.00 C ATOM 823 O GLU A 50 6.839 -15.380 6.541 1.00 0.00 O ATOM 824 CB GLU A 50 9.671 -17.174 6.944 1.00 0.00 C ATOM 825 CG GLU A 50 10.404 -18.302 7.650 1.00 0.00 C ATOM 826 CD GLU A 50 11.904 -18.084 7.697 1.00 0.00 C ATOM 827 OE1 GLU A 50 12.331 -16.967 8.054 1.00 0.00 O ATOM 828 OE2 GLU A 50 12.650 -19.032 7.374 1.00 0.00 O ATOM 0 H GLU A 50 8.616 -19.225 6.066 1.00 0.00 H new ATOM 0 HA GLU A 50 7.756 -17.269 7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.045 -17.092 5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.901 -16.233 7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.023 -18.398 8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.193 -19.242 7.140 1.00 0.00 H new ATOM 835 N LEU A 51 7.749 -16.360 4.731 1.00 0.00 N ATOM 836 CA LEU A 51 7.202 -15.387 3.793 1.00 0.00 C ATOM 837 C LEU A 51 5.689 -15.266 3.953 1.00 0.00 C ATOM 838 O LEU A 51 5.133 -14.172 3.860 1.00 0.00 O ATOM 839 CB LEU A 51 7.543 -15.785 2.356 1.00 0.00 C ATOM 840 CG LEU A 51 7.018 -14.858 1.259 1.00 0.00 C ATOM 841 CD1 LEU A 51 7.384 -13.414 1.561 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.563 -15.277 -0.099 1.00 0.00 C ATOM 0 H LEU A 51 8.310 -17.093 4.298 1.00 0.00 H new ATOM 0 HA LEU A 51 7.651 -14.418 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.628 -15.845 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.152 -16.786 2.175 1.00 0.00 H new ATOM 0 HG LEU A 51 5.931 -14.937 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.002 -12.769 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.944 -13.119 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.468 -13.317 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.179 -14.606 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.652 -15.228 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.249 -16.298 -0.318 1.00 0.00 H new ATOM 854 N GLN A 52 5.034 -16.395 4.197 1.00 0.00 N ATOM 855 CA GLN A 52 3.586 -16.415 4.372 1.00 0.00 C ATOM 856 C GLN A 52 3.186 -15.735 5.678 1.00 0.00 C ATOM 857 O GLN A 52 2.401 -14.788 5.679 1.00 0.00 O ATOM 858 CB GLN A 52 3.069 -17.854 4.353 1.00 0.00 C ATOM 859 CG GLN A 52 1.553 -17.955 4.397 1.00 0.00 C ATOM 860 CD GLN A 52 1.070 -19.155 5.190 1.00 0.00 C ATOM 861 OE1 GLN A 52 1.256 -20.346 4.633 1.00 0.00 O flip ATOM 862 NE2 GLN A 52 0.538 -19.013 6.291 1.00 0.00 N flip ATOM 0 H GLN A 52 5.482 -17.308 4.278 1.00 0.00 H new ATOM 0 HA GLN A 52 3.137 -15.865 3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.432 -18.350 3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.486 -18.393 5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.145 -17.045 4.837 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.167 -18.018 3.379 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.415 -18.079 6.681 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.220 -19.830 6.813 1.00 0.00 H new ATOM 871 N GLU A 53 3.733 -16.226 6.786 1.00 0.00 N ATOM 872 CA GLU A 53 3.430 -15.665 8.098 1.00 0.00 C ATOM 873 C GLU A 53 3.667 -14.157 8.114 1.00 0.00 C ATOM 874 O GLU A 53 2.998 -13.420 8.836 1.00 0.00 O ATOM 875 CB GLU A 53 4.287 -16.338 9.173 1.00 0.00 C ATOM 876 CG GLU A 53 3.654 -17.588 9.762 1.00 0.00 C ATOM 877 CD GLU A 53 4.469 -18.175 10.897 1.00 0.00 C ATOM 878 OE1 GLU A 53 5.708 -18.252 10.761 1.00 0.00 O ATOM 879 OE2 GLU A 53 3.868 -18.559 11.922 1.00 0.00 O ATOM 0 H GLU A 53 4.387 -17.009 6.802 1.00 0.00 H new ATOM 0 HA GLU A 53 2.377 -15.852 8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.255 -16.599 8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.476 -15.624 9.975 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.654 -17.348 10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.538 -18.336 8.978 1.00 0.00 H new ATOM 886 N LYS A 54 4.625 -13.707 7.310 1.00 0.00 N ATOM 887 CA LYS A 54 4.952 -12.289 7.230 1.00 0.00 C ATOM 888 C LYS A 54 3.898 -11.533 6.425 1.00 0.00 C ATOM 889 O LYS A 54 3.310 -10.567 6.910 1.00 0.00 O ATOM 890 CB LYS A 54 6.329 -12.097 6.592 1.00 0.00 C ATOM 891 CG LYS A 54 7.481 -12.482 7.506 1.00 0.00 C ATOM 892 CD LYS A 54 7.546 -11.585 8.730 1.00 0.00 C ATOM 893 CE LYS A 54 8.953 -11.522 9.301 1.00 0.00 C ATOM 894 NZ LYS A 54 9.383 -12.832 9.864 1.00 0.00 N ATOM 0 H LYS A 54 5.188 -14.304 6.705 1.00 0.00 H new ATOM 0 HA LYS A 54 4.969 -11.888 8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.384 -12.692 5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.442 -11.053 6.298 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.366 -13.519 7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.420 -12.417 6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.215 -10.581 8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.860 -11.956 9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.649 -11.217 8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.995 -10.761 10.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.348 -12.747 10.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.734 -13.112 10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.368 -13.553 9.115 1.00 0.00 H new ATOM 908 N ILE A 55 3.667 -11.980 5.196 1.00 0.00 N ATOM 909 CA ILE A 55 2.682 -11.348 4.326 1.00 0.00 C ATOM 910 C ILE A 55 1.301 -11.342 4.973 1.00 0.00 C ATOM 911 O ILE A 55 0.654 -10.298 5.068 1.00 0.00 O ATOM 912 CB ILE A 55 2.595 -12.060 2.963 1.00 0.00 C ATOM 913 CG1 ILE A 55 3.942 -11.992 2.241 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.500 -11.438 2.110 1.00 0.00 C ATOM 915 CD1 ILE A 55 4.125 -13.073 1.198 1.00 0.00 C ATOM 0 H ILE A 55 4.148 -12.777 4.780 1.00 0.00 H new ATOM 0 HA ILE A 55 3.012 -10.321 4.169 1.00 0.00 H new ATOM 0 HB ILE A 55 2.347 -13.108 3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.040 -11.017 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.743 -12.069 2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.451 -11.952 1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.542 -11.532 2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.721 -10.383 1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.102 -12.963 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.060 -14.052 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.345 -12.984 0.441 1.00 0.00 H new ATOM 927 N ILE A 56 0.856 -12.512 5.417 1.00 0.00 N ATOM 928 CA ILE A 56 -0.447 -12.641 6.056 1.00 0.00 C ATOM 929 C ILE A 56 -0.584 -11.671 7.225 1.00 0.00 C ATOM 930 O ILE A 56 -1.672 -11.164 7.501 1.00 0.00 O ATOM 931 CB ILE A 56 -0.686 -14.075 6.564 1.00 0.00 C ATOM 932 CG1 ILE A 56 -2.117 -14.223 7.085 1.00 0.00 C ATOM 933 CG2 ILE A 56 0.318 -14.425 7.652 1.00 0.00 C ATOM 934 CD1 ILE A 56 -3.170 -14.066 6.010 1.00 0.00 C ATOM 0 H ILE A 56 1.379 -13.385 5.346 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.194 -12.403 5.299 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.549 -14.767 5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.227 -15.203 7.549 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.290 -13.480 7.864 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.137 -15.441 8.001 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.329 -14.354 7.251 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.209 -13.730 8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.160 -14.183 6.451 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.087 -13.076 5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.022 -14.826 5.242 1.00 0.00 H new ATOM 946 N ARG A 57 0.527 -11.414 7.907 1.00 0.00 N ATOM 947 CA ARG A 57 0.533 -10.503 9.046 1.00 0.00 C ATOM 948 C ARG A 57 0.325 -9.062 8.589 1.00 0.00 C ATOM 949 O ARG A 57 -0.560 -8.366 9.088 1.00 0.00 O ATOM 950 CB ARG A 57 1.849 -10.621 9.814 1.00 0.00 C ATOM 951 CG ARG A 57 1.701 -11.275 11.179 1.00 0.00 C ATOM 952 CD ARG A 57 1.273 -12.729 11.057 1.00 0.00 C ATOM 953 NE ARG A 57 0.430 -13.146 12.174 1.00 0.00 N ATOM 954 CZ ARG A 57 -0.023 -14.385 12.329 1.00 0.00 C ATOM 955 NH1 ARG A 57 0.284 -15.323 11.443 1.00 0.00 N ATOM 956 NH2 ARG A 57 -0.785 -14.688 13.372 1.00 0.00 N ATOM 0 H ARG A 57 1.436 -11.824 7.691 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.290 -10.780 9.706 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.557 -11.198 9.219 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.276 -9.626 9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.648 -11.217 11.716 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.966 -10.727 11.769 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.732 -12.870 10.122 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.157 -13.365 11.013 1.00 0.00 H new ATOM 0 HE ARG A 57 0.175 -12.448 12.873 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.870 -15.094 10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.065 -16.274 11.565 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.023 -13.969 14.055 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.133 -15.640 13.490 1.00 0.00 H new ATOM 970 N GLU A 58 1.146 -8.623 7.642 1.00 0.00 N ATOM 971 CA GLU A 58 1.052 -7.264 7.121 1.00 0.00 C ATOM 972 C GLU A 58 -0.300 -7.028 6.454 1.00 0.00 C ATOM 973 O GLU A 58 -0.936 -5.994 6.662 1.00 0.00 O ATOM 974 CB GLU A 58 2.179 -6.998 6.120 1.00 0.00 C ATOM 975 CG GLU A 58 2.732 -5.584 6.186 1.00 0.00 C ATOM 976 CD GLU A 58 4.073 -5.449 5.493 1.00 0.00 C ATOM 977 OE1 GLU A 58 4.394 -6.309 4.646 1.00 0.00 O ATOM 978 OE2 GLU A 58 4.802 -4.481 5.797 1.00 0.00 O ATOM 0 H GLU A 58 1.883 -9.187 7.220 1.00 0.00 H new ATOM 0 HA GLU A 58 1.149 -6.575 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.989 -7.704 6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.810 -7.188 5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.020 -4.898 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.835 -5.287 7.230 1.00 0.00 H new ATOM 985 N LEU A 59 -0.734 -7.994 5.652 1.00 0.00 N ATOM 986 CA LEU A 59 -2.011 -7.893 4.954 1.00 0.00 C ATOM 987 C LEU A 59 -3.172 -7.880 5.942 1.00 0.00 C ATOM 988 O LEU A 59 -4.137 -7.135 5.771 1.00 0.00 O ATOM 989 CB LEU A 59 -2.171 -9.058 3.975 1.00 0.00 C ATOM 990 CG LEU A 59 -3.168 -8.843 2.834 1.00 0.00 C ATOM 991 CD1 LEU A 59 -2.785 -7.620 2.015 1.00 0.00 C ATOM 992 CD2 LEU A 59 -3.241 -10.079 1.950 1.00 0.00 C ATOM 0 H LEU A 59 -0.220 -8.856 5.469 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.022 -6.955 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.196 -9.279 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.477 -9.940 4.537 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.154 -8.671 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.505 -7.482 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.785 -6.738 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.790 -7.762 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.955 -9.908 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.257 -10.282 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.563 -10.933 2.545 1.00 0.00 H new ATOM 1004 N ASP A 60 -3.071 -8.707 6.977 1.00 0.00 N ATOM 1005 CA ASP A 60 -4.112 -8.788 7.995 1.00 0.00 C ATOM 1006 C ASP A 60 -4.282 -7.450 8.707 1.00 0.00 C ATOM 1007 O ASP A 60 -5.388 -6.915 8.791 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.776 -9.881 9.011 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.812 -9.984 10.113 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.919 -10.494 9.841 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -4.516 -9.556 11.249 1.00 0.00 O ATOM 0 H ASP A 60 -2.279 -9.331 7.133 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.051 -9.037 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.699 -10.839 8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.800 -9.676 9.451 1.00 0.00 H new ATOM 1016 N VAL A 61 -3.179 -6.913 9.218 1.00 0.00 N ATOM 1017 CA VAL A 61 -3.205 -5.637 9.923 1.00 0.00 C ATOM 1018 C VAL A 61 -3.732 -4.524 9.023 1.00 0.00 C ATOM 1019 O VAL A 61 -4.662 -3.804 9.387 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.805 -5.248 10.435 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -1.878 -3.991 11.288 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -1.187 -6.398 11.215 1.00 0.00 C ATOM 0 H VAL A 61 -2.256 -7.342 9.157 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.873 -5.760 10.775 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.168 -5.037 9.576 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.880 -3.732 11.640 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.277 -3.170 10.692 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.530 -4.169 12.143 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.198 -6.107 11.570 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.821 -6.642 12.067 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.098 -7.270 10.568 1.00 0.00 H new ATOM 1032 N VAL A 62 -3.131 -4.388 7.846 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.540 -3.363 6.892 1.00 0.00 C ATOM 1034 C VAL A 62 -5.008 -3.521 6.513 1.00 0.00 C ATOM 1035 O VAL A 62 -5.803 -2.592 6.666 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.683 -3.412 5.613 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.161 -2.374 4.611 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.214 -3.203 5.950 1.00 0.00 C ATOM 0 H VAL A 62 -2.359 -4.975 7.529 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.395 -2.400 7.381 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.792 -4.397 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.544 -2.423 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.200 -2.573 4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.082 -1.380 5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.622 -3.240 5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.085 -2.231 6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.881 -3.987 6.630 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.362 -4.702 6.017 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.736 -4.981 5.615 1.00 0.00 C ATOM 1050 C CYS A 63 -7.702 -4.731 6.767 1.00 0.00 C ATOM 1051 O CYS A 63 -8.854 -4.357 6.555 1.00 0.00 O ATOM 1052 CB CYS A 63 -6.863 -6.427 5.131 1.00 0.00 C ATOM 1053 SG CYS A 63 -8.556 -6.932 4.752 1.00 0.00 S ATOM 0 H CYS A 63 -4.717 -5.481 5.884 1.00 0.00 H new ATOM 0 HA CYS A 63 -6.993 -4.307 4.798 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.249 -6.556 4.240 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.459 -7.091 5.895 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.551 -8.140 4.272 1.00 0.00 H new ATOM 1059 N ALA A 64 -7.224 -4.942 7.990 1.00 0.00 N ATOM 1060 CA ALA A 64 -8.044 -4.739 9.177 1.00 0.00 C ATOM 1061 C ALA A 64 -8.369 -3.262 9.374 1.00 0.00 C ATOM 1062 O ALA A 64 -9.535 -2.873 9.410 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.342 -5.296 10.406 1.00 0.00 C ATOM 0 H ALA A 64 -6.272 -5.254 8.184 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.983 -5.275 9.035 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.967 -5.137 11.285 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.168 -6.364 10.273 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.388 -4.787 10.542 1.00 0.00 H new ATOM 1069 N MET A 65 -7.328 -2.445 9.502 1.00 0.00 N ATOM 1070 CA MET A 65 -7.504 -1.009 9.695 1.00 0.00 C ATOM 1071 C MET A 65 -8.206 -0.382 8.495 1.00 0.00 C ATOM 1072 O MET A 65 -9.055 0.497 8.652 1.00 0.00 O ATOM 1073 CB MET A 65 -6.150 -0.335 9.919 1.00 0.00 C ATOM 1074 CG MET A 65 -5.188 -0.499 8.753 1.00 0.00 C ATOM 1075 SD MET A 65 -3.575 0.240 9.074 1.00 0.00 S ATOM 1076 CE MET A 65 -2.699 -1.151 9.785 1.00 0.00 C ATOM 0 H MET A 65 -6.356 -2.752 9.476 1.00 0.00 H new ATOM 0 HA MET A 65 -8.127 -0.858 10.577 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.308 0.728 10.102 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.692 -0.748 10.818 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.061 -1.560 8.538 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.621 -0.043 7.863 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.014 -0.795 10.555 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.415 -1.844 10.228 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.134 -1.662 9.005 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.845 -0.836 7.300 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.442 -0.317 6.075 1.00 0.00 C ATOM 1088 C ILE A 66 -9.929 -0.646 6.006 1.00 0.00 C ATOM 1089 O ILE A 66 -10.754 0.222 5.724 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.744 -0.885 4.825 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.667 0.084 4.332 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.761 -1.157 3.727 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.576 0.341 5.348 1.00 0.00 C ATOM 0 H ILE A 66 -7.143 -1.561 7.153 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.312 0.765 6.094 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.265 -1.827 5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.219 -0.316 3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.136 1.032 4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.252 -1.558 2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.495 -1.880 4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.266 -0.228 3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.847 1.036 4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.012 0.770 6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.081 -0.598 5.596 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.264 -1.906 6.267 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.653 -2.349 6.236 1.00 0.00 C ATOM 1107 C GLU A 67 -12.500 -1.553 7.224 1.00 0.00 C ATOM 1108 O GLU A 67 -13.547 -1.014 6.868 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.743 -3.842 6.556 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.481 -4.739 5.358 1.00 0.00 C ATOM 1111 CD GLU A 67 -12.742 -5.055 4.579 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -13.757 -4.355 4.781 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -12.716 -6.004 3.767 1.00 0.00 O ATOM 0 H GLU A 67 -9.593 -2.637 6.502 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.040 -2.177 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.026 -4.080 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.734 -4.061 6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.762 -4.255 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.026 -5.669 5.698 1.00 0.00 H new ATOM 1120 N GLY A 68 -12.039 -1.486 8.469 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.766 -0.755 9.491 1.00 0.00 C ATOM 1122 C GLY A 68 -12.941 0.710 9.143 1.00 0.00 C ATOM 1123 O GLY A 68 -14.026 1.268 9.304 1.00 0.00 O ATOM 0 H GLY A 68 -11.175 -1.925 8.788 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.746 -1.211 9.632 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.236 -0.839 10.440 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.869 1.336 8.666 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.910 2.745 8.294 1.00 0.00 C ATOM 1129 C ALA A 69 -12.861 2.976 7.124 1.00 0.00 C ATOM 1130 O ALA A 69 -13.730 3.846 7.183 1.00 0.00 O ATOM 1131 CB ALA A 69 -10.513 3.239 7.948 1.00 0.00 C ATOM 0 H ALA A 69 -10.962 0.889 8.528 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.283 3.311 9.148 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.558 4.293 7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.860 3.118 8.812 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.119 2.661 7.112 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.690 2.193 6.065 1.00 0.00 N ATOM 1138 CA GLN A 70 -13.533 2.315 4.882 1.00 0.00 C ATOM 1139 C GLN A 70 -15.008 2.189 5.249 1.00 0.00 C ATOM 1140 O GLN A 70 -15.839 2.979 4.802 1.00 0.00 O ATOM 1141 CB GLN A 70 -13.159 1.249 3.850 1.00 0.00 C ATOM 1142 CG GLN A 70 -13.205 1.748 2.415 1.00 0.00 C ATOM 1143 CD GLN A 70 -14.555 1.525 1.763 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -15.152 2.453 1.216 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -15.044 0.293 1.818 1.00 0.00 N ATOM 0 H GLN A 70 -11.976 1.468 6.002 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.368 3.302 4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.156 0.882 4.066 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.837 0.402 3.953 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.968 2.812 2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.436 1.240 1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.515 -0.446 2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.949 0.084 1.397 1.00 0.00 H new ATOM 1154 N GLY A 71 -15.327 1.188 6.065 1.00 0.00 N ATOM 1155 CA GLY A 71 -16.702 0.977 6.478 1.00 0.00 C ATOM 1156 C GLY A 71 -17.255 2.145 7.269 1.00 0.00 C ATOM 1157 O GLY A 71 -18.325 2.666 6.954 1.00 0.00 O ATOM 0 H GLY A 71 -14.658 0.520 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.322 0.813 5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.762 0.072 7.082 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.527 2.556 8.302 1.00 0.00 N ATOM 1162 CA ALA A 72 -16.952 3.669 9.142 1.00 0.00 C ATOM 1163 C ALA A 72 -17.066 4.956 8.330 1.00 0.00 C ATOM 1164 O ALA A 72 -18.127 5.580 8.284 1.00 0.00 O ATOM 1165 CB ALA A 72 -15.983 3.858 10.300 1.00 0.00 C ATOM 0 H ALA A 72 -15.640 2.135 8.577 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.938 3.433 9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.313 4.693 10.918 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -15.954 2.950 10.902 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.987 4.067 9.910 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.968 5.347 7.693 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.944 6.560 6.883 1.00 0.00 C ATOM 1173 C LEU A 73 -17.096 6.569 5.882 1.00 0.00 C ATOM 1174 O LEU A 73 -17.774 7.581 5.712 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.611 6.679 6.145 1.00 0.00 C ATOM 1176 CG LEU A 73 -14.041 8.091 6.008 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -12.538 8.085 6.236 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -14.374 8.671 4.642 1.00 0.00 C ATOM 0 H LEU A 73 -15.082 4.842 7.722 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.059 7.414 7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.877 6.061 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.733 6.260 5.146 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.500 8.722 6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.151 9.099 6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.323 7.713 7.238 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.061 7.439 5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.960 9.676 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.945 8.040 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.456 8.713 4.519 1.00 0.00 H new ATOM 1190 N GLU A 74 -17.310 5.434 5.224 1.00 0.00 N ATOM 1191 CA GLU A 74 -18.379 5.311 4.240 1.00 0.00 C ATOM 1192 C GLU A 74 -19.738 5.585 4.879 1.00 0.00 C ATOM 1193 O GLU A 74 -20.525 6.384 4.372 1.00 0.00 O ATOM 1194 CB GLU A 74 -18.369 3.916 3.614 1.00 0.00 C ATOM 1195 CG GLU A 74 -17.412 3.782 2.440 1.00 0.00 C ATOM 1196 CD GLU A 74 -17.757 4.718 1.297 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -18.872 4.598 0.749 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -16.911 5.569 0.952 1.00 0.00 O ATOM 0 H GLU A 74 -16.757 4.587 5.355 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.207 6.052 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.099 3.186 4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.377 3.670 3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.396 3.987 2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.427 2.753 2.080 1.00 0.00 H new ATOM 1205 N ARG A 75 -20.007 4.913 5.994 1.00 0.00 N ATOM 1206 CA ARG A 75 -21.271 5.081 6.701 1.00 0.00 C ATOM 1207 C ARG A 75 -21.428 6.515 7.200 1.00 0.00 C ATOM 1208 O ARG A 75 -22.544 7.004 7.365 1.00 0.00 O ATOM 1209 CB ARG A 75 -21.355 4.108 7.879 1.00 0.00 C ATOM 1210 CG ARG A 75 -21.413 2.648 7.459 1.00 0.00 C ATOM 1211 CD ARG A 75 -22.820 2.243 7.047 1.00 0.00 C ATOM 1212 NE ARG A 75 -23.095 2.565 5.650 1.00 0.00 N ATOM 1213 CZ ARG A 75 -24.194 2.179 5.010 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -25.114 1.461 5.638 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -24.373 2.513 3.738 1.00 0.00 N ATOM 0 H ARG A 75 -19.367 4.247 6.427 1.00 0.00 H new ATOM 0 HA ARG A 75 -22.080 4.866 6.003 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.490 4.257 8.525 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -22.240 4.343 8.471 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -20.727 2.479 6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -21.078 2.018 8.283 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -22.950 1.172 7.205 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -23.544 2.749 7.685 1.00 0.00 H new ATOM 0 HE ARG A 75 -22.407 3.116 5.137 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -24.980 1.203 6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -25.956 1.167 5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -23.667 3.066 3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -25.216 2.217 3.247 1.00 0.00 H new ATOM 1229 N GLU A 76 -20.302 7.179 7.439 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.316 8.556 7.921 1.00 0.00 C ATOM 1231 C GLU A 76 -20.620 9.527 6.784 1.00 0.00 C ATOM 1232 O GLU A 76 -21.544 10.336 6.873 1.00 0.00 O ATOM 1233 CB GLU A 76 -18.973 8.908 8.563 1.00 0.00 C ATOM 1234 CG GLU A 76 -19.078 9.956 9.659 1.00 0.00 C ATOM 1235 CD GLU A 76 -18.888 11.367 9.137 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -19.707 11.806 8.302 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -17.920 12.032 9.563 1.00 0.00 O ATOM 0 H GLU A 76 -19.370 6.787 7.307 1.00 0.00 H new ATOM 0 HA GLU A 76 -21.103 8.644 8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.530 8.003 8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.294 9.269 7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -20.054 9.878 10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.329 9.752 10.425 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.833 9.443 5.716 1.00 0.00 N ATOM 1245 CA LEU A 77 -20.016 10.314 4.561 1.00 0.00 C ATOM 1246 C LEU A 77 -21.347 10.032 3.871 1.00 0.00 C ATOM 1247 O LEU A 77 -21.928 10.913 3.236 1.00 0.00 O ATOM 1248 CB LEU A 77 -18.865 10.127 3.570 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.625 8.699 3.081 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.373 8.446 1.782 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -17.137 8.439 2.901 1.00 0.00 C ATOM 0 H LEU A 77 -19.063 8.781 5.627 1.00 0.00 H new ATOM 0 HA LEU A 77 -20.022 11.346 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -19.053 10.760 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.949 10.489 4.036 1.00 0.00 H new ATOM 0 HG LEU A 77 -19.005 8.010 3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -19.190 7.424 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.441 8.589 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -19.025 9.143 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.986 7.417 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.732 9.136 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.626 8.577 3.854 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.826 8.800 4.003 1.00 0.00 N ATOM 1264 CA LYS A 78 -23.091 8.401 3.396 1.00 0.00 C ATOM 1265 C LYS A 78 -24.245 9.232 3.948 1.00 0.00 C ATOM 1266 O LYS A 78 -25.314 9.305 3.343 1.00 0.00 O ATOM 1267 CB LYS A 78 -23.353 6.914 3.645 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.943 6.023 2.486 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.808 6.267 1.260 1.00 0.00 C ATOM 1270 CE LYS A 78 -22.975 6.306 -0.011 1.00 0.00 C ATOM 1271 NZ LYS A 78 -21.966 7.402 0.020 1.00 0.00 N ATOM 0 H LYS A 78 -21.357 8.060 4.525 1.00 0.00 H new ATOM 0 HA LYS A 78 -23.022 8.576 2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.814 6.603 4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -24.414 6.769 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.898 6.207 2.237 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -23.021 4.978 2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -24.558 5.480 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -24.345 7.209 1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.469 5.350 -0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -23.631 6.440 -0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -21.672 7.631 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.383 8.245 0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -21.138 7.096 0.569 1.00 0.00 H new ATOM 1354 N ASN A 83 -24.954 16.362 -4.541 1.00 0.00 N ATOM 1355 CA ASN A 83 -24.204 17.335 -5.328 1.00 0.00 C ATOM 1356 C ASN A 83 -23.461 16.653 -6.472 1.00 0.00 C ATOM 1357 O ASN A 83 -23.169 15.458 -6.411 1.00 0.00 O ATOM 1358 CB ASN A 83 -23.212 18.087 -4.437 1.00 0.00 C ATOM 1359 CG ASN A 83 -23.431 19.586 -4.465 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -23.915 20.173 -3.496 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -23.077 20.216 -5.579 1.00 0.00 N ATOM 0 HA ASN A 83 -24.913 18.046 -5.752 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.304 17.728 -3.412 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -22.196 17.865 -4.762 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -23.202 21.225 -5.656 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -22.680 19.691 -6.358 1.00 0.00 H new ATOM 1368 N ILE A 84 -23.158 17.420 -7.515 1.00 0.00 N ATOM 1369 CA ILE A 84 -22.449 16.889 -8.671 1.00 0.00 C ATOM 1370 C ILE A 84 -21.044 16.433 -8.293 1.00 0.00 C ATOM 1371 O ILE A 84 -20.677 15.276 -8.502 1.00 0.00 O ATOM 1372 CB ILE A 84 -22.352 17.933 -9.799 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -23.749 18.388 -10.225 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -21.590 17.362 -10.987 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -23.747 19.659 -11.045 1.00 0.00 C ATOM 0 H ILE A 84 -23.393 18.410 -7.582 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.022 16.033 -9.027 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.807 18.799 -9.425 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -24.221 17.593 -10.803 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -24.360 18.540 -9.335 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -21.530 18.112 -11.776 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -20.584 17.084 -10.674 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -22.110 16.481 -11.363 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -24.771 19.922 -11.312 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -23.305 20.467 -10.462 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -23.164 19.505 -11.953 1.00 0.00 H new ATOM 1387 N LEU A 85 -20.261 17.350 -7.734 1.00 0.00 N ATOM 1388 CA LEU A 85 -18.895 17.043 -7.324 1.00 0.00 C ATOM 1389 C LEU A 85 -18.881 15.975 -6.236 1.00 0.00 C ATOM 1390 O LEU A 85 -18.105 15.023 -6.298 1.00 0.00 O ATOM 1391 CB LEU A 85 -18.196 18.308 -6.822 1.00 0.00 C ATOM 1392 CG LEU A 85 -16.671 18.322 -6.937 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -16.167 19.738 -7.170 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -16.036 17.727 -5.688 1.00 0.00 C ATOM 0 H LEU A 85 -20.549 18.312 -7.554 1.00 0.00 H new ATOM 0 HA LEU A 85 -18.359 16.659 -8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.590 19.161 -7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.463 18.456 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 85 -16.385 17.710 -7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.080 19.729 -7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.595 20.129 -8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -16.465 20.372 -6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -14.951 17.745 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.330 18.312 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.372 16.697 -5.564 1.00 0.00 H new ATOM 1406 N GLU A 86 -19.747 16.139 -5.240 1.00 0.00 N ATOM 1407 CA GLU A 86 -19.834 15.188 -4.138 1.00 0.00 C ATOM 1408 C GLU A 86 -20.164 13.789 -4.653 1.00 0.00 C ATOM 1409 O GLU A 86 -19.608 12.796 -4.182 1.00 0.00 O ATOM 1410 CB GLU A 86 -20.895 15.634 -3.131 1.00 0.00 C ATOM 1411 CG GLU A 86 -20.553 16.935 -2.423 1.00 0.00 C ATOM 1412 CD GLU A 86 -19.418 16.777 -1.430 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -19.683 16.336 -0.293 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -18.265 17.094 -1.791 1.00 0.00 O ATOM 0 H GLU A 86 -20.398 16.922 -5.174 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.864 15.157 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -21.848 15.751 -3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.030 14.849 -2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -20.281 17.687 -3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -21.437 17.305 -1.903 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.069 13.719 -5.622 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.474 12.443 -6.200 1.00 0.00 C ATOM 1423 C ARG A 87 -20.313 11.792 -6.946 1.00 0.00 C ATOM 1424 O ARG A 87 -20.056 10.598 -6.794 1.00 0.00 O ATOM 1425 CB ARG A 87 -22.658 12.641 -7.149 1.00 0.00 C ATOM 1426 CG ARG A 87 -23.164 11.349 -7.769 1.00 0.00 C ATOM 1427 CD ARG A 87 -24.463 11.567 -8.528 1.00 0.00 C ATOM 1428 NE ARG A 87 -24.238 12.182 -9.833 1.00 0.00 N ATOM 1429 CZ ARG A 87 -23.715 11.536 -10.870 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -23.366 10.262 -10.754 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -23.541 12.164 -12.025 1.00 0.00 N ATOM 0 H ARG A 87 -21.537 14.531 -6.024 1.00 0.00 H new ATOM 0 HA ARG A 87 -21.776 11.783 -5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.474 13.117 -6.604 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -22.364 13.325 -7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -22.409 10.949 -8.445 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -23.318 10.605 -6.987 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -24.970 10.611 -8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -25.125 12.200 -7.938 1.00 0.00 H new ATOM 0 HE ARG A 87 -24.496 13.161 -9.955 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -23.499 9.776 -9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -22.965 9.768 -11.551 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -23.809 13.144 -12.118 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -23.139 11.667 -12.820 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.616 12.584 -7.754 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.485 12.085 -8.526 1.00 0.00 C ATOM 1447 C PHE A 88 -17.404 11.525 -7.606 1.00 0.00 C ATOM 1448 O PHE A 88 -16.998 10.371 -7.738 1.00 0.00 O ATOM 1449 CB PHE A 88 -17.901 13.200 -9.396 1.00 0.00 C ATOM 1450 CG PHE A 88 -16.605 12.829 -10.058 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -16.570 11.860 -11.048 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -15.422 13.448 -9.690 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -15.379 11.516 -11.658 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -14.227 13.109 -10.296 1.00 0.00 C ATOM 1455 CZ PHE A 88 -14.206 12.142 -11.282 1.00 0.00 C ATOM 0 H PHE A 88 -19.815 13.575 -7.891 1.00 0.00 H new ATOM 0 HA PHE A 88 -18.843 11.282 -9.170 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.627 13.469 -10.163 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -17.744 14.086 -8.780 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.484 11.368 -11.346 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -15.433 14.205 -8.920 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.365 10.759 -12.428 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.312 13.599 -9.999 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.274 11.876 -11.758 1.00 0.00 H new ATOM 1465 N ASN A 89 -16.941 12.353 -6.674 1.00 0.00 N ATOM 1466 CA ASN A 89 -15.907 11.942 -5.732 1.00 0.00 C ATOM 1467 C ASN A 89 -16.346 10.711 -4.944 1.00 0.00 C ATOM 1468 O ASN A 89 -15.569 9.775 -4.752 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.580 13.086 -4.771 1.00 0.00 C ATOM 1470 CG ASN A 89 -14.899 14.249 -5.466 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -15.502 14.929 -6.296 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -13.636 14.482 -5.129 1.00 0.00 N ATOM 0 H ASN A 89 -17.266 13.312 -6.552 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.013 11.687 -6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.499 13.435 -4.300 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -14.935 12.715 -3.974 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.126 15.251 -5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -13.176 13.892 -4.436 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.595 10.719 -4.493 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.137 9.605 -3.725 1.00 0.00 C ATOM 1481 C TYR A 90 -18.171 8.331 -4.563 1.00 0.00 C ATOM 1482 O TYR A 90 -17.757 7.264 -4.108 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.545 9.938 -3.227 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.561 10.684 -1.912 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.663 11.716 -1.664 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.474 10.358 -0.917 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.674 12.400 -0.464 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.493 11.038 0.286 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.590 12.057 0.508 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.605 12.737 1.704 1.00 0.00 O ATOM 0 H TYR A 90 -18.251 11.485 -4.646 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.485 9.438 -2.867 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -20.056 10.537 -3.981 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.111 9.013 -3.117 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -17.944 11.988 -2.423 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.181 9.559 -1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -17.969 13.199 -0.288 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.211 10.773 1.048 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.360 12.428 2.247 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.667 8.451 -5.790 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.755 7.309 -6.693 1.00 0.00 C ATOM 1502 C GLU A 91 -17.390 6.651 -6.873 1.00 0.00 C ATOM 1503 O GLU A 91 -17.234 5.451 -6.654 1.00 0.00 O ATOM 1504 CB GLU A 91 -19.307 7.746 -8.052 1.00 0.00 C ATOM 1505 CG GLU A 91 -19.612 6.587 -8.987 1.00 0.00 C ATOM 1506 CD GLU A 91 -20.546 6.978 -10.114 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -21.769 7.057 -9.871 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -20.056 7.205 -11.240 1.00 0.00 O ATOM 0 H GLU A 91 -19.014 9.327 -6.182 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.434 6.580 -6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.217 8.325 -7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.586 8.408 -8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -18.680 6.209 -9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.058 5.772 -8.416 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.404 7.448 -7.275 1.00 0.00 N ATOM 1516 CA GLU A 92 -15.052 6.944 -7.487 1.00 0.00 C ATOM 1517 C GLU A 92 -14.481 6.363 -6.197 1.00 0.00 C ATOM 1518 O GLU A 92 -13.894 5.281 -6.197 1.00 0.00 O ATOM 1519 CB GLU A 92 -14.142 8.060 -8.003 1.00 0.00 C ATOM 1520 CG GLU A 92 -12.907 7.552 -8.727 1.00 0.00 C ATOM 1521 CD GLU A 92 -13.193 7.159 -10.164 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -14.371 7.233 -10.575 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -12.241 6.778 -10.877 1.00 0.00 O ATOM 0 H GLU A 92 -16.516 8.445 -7.460 1.00 0.00 H new ATOM 0 HA GLU A 92 -15.100 6.151 -8.233 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.712 8.699 -8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.831 8.681 -7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.138 8.324 -8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.505 6.692 -8.192 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.657 7.089 -5.098 1.00 0.00 N ATOM 1531 CA ALA A 93 -14.160 6.646 -3.801 1.00 0.00 C ATOM 1532 C ALA A 93 -14.614 5.222 -3.497 1.00 0.00 C ATOM 1533 O ALA A 93 -13.810 4.373 -3.115 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.623 7.595 -2.706 1.00 0.00 C ATOM 0 H ALA A 93 -15.140 7.987 -5.080 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.071 6.653 -3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.245 7.252 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.244 8.597 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.712 7.617 -2.681 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.909 4.970 -3.668 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.468 3.648 -3.410 1.00 0.00 C ATOM 1542 C GLN A 94 -15.945 2.629 -4.417 1.00 0.00 C ATOM 1543 O GLN A 94 -15.691 1.474 -4.073 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.996 3.699 -3.465 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.672 3.009 -2.291 1.00 0.00 C ATOM 1546 CD GLN A 94 -18.816 1.515 -2.497 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -18.360 0.717 -1.677 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -19.452 1.127 -3.595 1.00 0.00 N ATOM 0 H GLN A 94 -16.589 5.662 -3.983 1.00 0.00 H new ATOM 0 HA GLN A 94 -16.157 3.338 -2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.315 4.741 -3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.333 3.235 -4.392 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -18.095 3.193 -1.385 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -19.658 3.447 -2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -19.814 1.823 -4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -19.579 0.133 -3.787 1.00 0.00 H new ATOM 1557 N THR A 95 -15.787 3.064 -5.663 1.00 0.00 N ATOM 1558 CA THR A 95 -15.296 2.188 -6.720 1.00 0.00 C ATOM 1559 C THR A 95 -13.910 1.648 -6.388 1.00 0.00 C ATOM 1560 O THR A 95 -13.676 0.440 -6.432 1.00 0.00 O ATOM 1561 CB THR A 95 -15.238 2.921 -8.074 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.534 3.425 -8.414 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.746 1.991 -9.172 1.00 0.00 C ATOM 0 H THR A 95 -15.992 4.017 -5.965 1.00 0.00 H new ATOM 0 HA THR A 95 -15.998 1.357 -6.794 1.00 0.00 H new ATOM 0 HB THR A 95 -14.538 3.752 -7.983 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.781 4.140 -7.790 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.713 2.531 -10.118 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.747 1.632 -8.924 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.424 1.143 -9.261 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.993 2.550 -6.055 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.628 2.163 -5.714 1.00 0.00 C ATOM 1573 C LEU A 96 -11.601 1.340 -4.430 1.00 0.00 C ATOM 1574 O LEU A 96 -10.925 0.312 -4.355 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.750 3.406 -5.554 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.451 4.185 -6.836 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.614 5.417 -6.528 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.742 3.296 -7.847 1.00 0.00 C ATOM 0 H LEU A 96 -13.170 3.554 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.236 1.550 -6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.234 4.080 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.803 3.103 -5.107 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.396 4.512 -7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.411 5.959 -7.452 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.158 6.064 -5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.672 5.112 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.537 3.867 -8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.803 2.939 -7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.377 2.444 -8.091 1.00 0.00 H new ATOM 1590 N SER A 97 -12.340 1.795 -3.424 1.00 0.00 N ATOM 1591 CA SER A 97 -12.399 1.101 -2.143 1.00 0.00 C ATOM 1592 C SER A 97 -12.873 -0.337 -2.326 1.00 0.00 C ATOM 1593 O SER A 97 -12.310 -1.268 -1.749 1.00 0.00 O ATOM 1594 CB SER A 97 -13.333 1.840 -1.182 1.00 0.00 C ATOM 1595 OG SER A 97 -12.599 2.654 -0.283 1.00 0.00 O ATOM 0 H SER A 97 -12.907 2.642 -3.471 1.00 0.00 H new ATOM 0 HA SER A 97 -11.394 1.083 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.030 2.456 -1.749 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.928 1.119 -0.622 1.00 0.00 H new ATOM 0 HG SER A 97 -13.214 3.246 0.199 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.914 -0.513 -3.133 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.465 -1.836 -3.395 1.00 0.00 C ATOM 1603 C LYS A 98 -13.444 -2.721 -4.104 1.00 0.00 C ATOM 1604 O LYS A 98 -13.191 -3.851 -3.685 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.733 -1.724 -4.243 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.958 -1.295 -3.454 1.00 0.00 C ATOM 1607 CD LYS A 98 -18.169 -2.146 -3.795 1.00 0.00 C ATOM 1608 CE LYS A 98 -19.123 -2.258 -2.616 1.00 0.00 C ATOM 1609 NZ LYS A 98 -20.292 -3.124 -2.928 1.00 0.00 N ATOM 0 H LYS A 98 -14.393 0.246 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.714 -2.294 -2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.560 -1.008 -5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.933 -2.688 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.749 -1.370 -2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.178 -0.248 -3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -18.692 -1.711 -4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -17.842 -3.141 -4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -18.591 -2.663 -1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -19.472 -1.264 -2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -20.918 -3.174 -2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -20.815 -2.724 -3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -19.961 -4.080 -3.171 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.859 -2.199 -5.177 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.864 -2.941 -5.940 1.00 0.00 C ATOM 1625 C ILE A 99 -10.704 -3.378 -5.053 1.00 0.00 C ATOM 1626 O ILE A 99 -10.320 -4.549 -5.045 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.314 -2.104 -7.111 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.448 -1.703 -8.057 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.242 -2.881 -7.860 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -12.189 -0.409 -8.796 1.00 0.00 C ATOM 0 H ILE A 99 -13.057 -1.265 -5.537 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.365 -3.823 -6.338 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.863 -1.196 -6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.604 -2.501 -8.783 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.371 -1.607 -7.485 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.863 -2.276 -8.684 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.424 -3.121 -7.180 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.669 -3.804 -8.253 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -13.034 -0.187 -9.448 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -12.062 0.401 -8.078 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.284 -0.507 -9.396 1.00 0.00 H new ATOM 1642 N LEU A 100 -10.149 -2.430 -4.306 1.00 0.00 N ATOM 1643 CA LEU A 100 -9.032 -2.717 -3.412 1.00 0.00 C ATOM 1644 C LEU A 100 -9.406 -3.796 -2.401 1.00 0.00 C ATOM 1645 O LEU A 100 -8.642 -4.733 -2.165 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.599 -1.445 -2.680 1.00 0.00 C ATOM 1647 CG LEU A 100 -7.403 -1.586 -1.739 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -7.847 -2.125 -0.387 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -6.344 -2.491 -2.353 1.00 0.00 C ATOM 0 H LEU A 100 -10.454 -1.457 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.201 -3.083 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.363 -0.684 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.447 -1.075 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.966 -0.599 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.982 -2.219 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.568 -1.440 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.309 -3.103 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.500 -2.580 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.769 -3.478 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.003 -2.064 -3.296 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.587 -3.659 -1.808 1.00 0.00 N ATOM 1662 CA LEU A 101 -11.065 -4.624 -0.824 1.00 0.00 C ATOM 1663 C LEU A 101 -11.069 -6.036 -1.402 1.00 0.00 C ATOM 1664 O LEU A 101 -10.558 -6.971 -0.787 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.472 -4.249 -0.355 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.555 -3.165 0.720 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -14.006 -2.846 1.045 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -11.807 -3.597 1.973 1.00 0.00 C ATOM 0 H LEU A 101 -11.231 -2.889 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.386 -4.603 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.046 -3.918 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.958 -5.148 0.025 1.00 0.00 H new ATOM 0 HG LEU A 101 -12.084 -2.261 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -14.046 -2.073 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -14.511 -2.492 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -14.503 -3.745 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.877 -2.813 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.248 -4.515 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.759 -3.773 1.729 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.647 -6.182 -2.590 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.714 -7.477 -3.254 1.00 0.00 C ATOM 1682 C LYS A 102 -10.317 -8.056 -3.461 1.00 0.00 C ATOM 1683 O LYS A 102 -10.040 -9.187 -3.063 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.428 -7.346 -4.602 1.00 0.00 C ATOM 1685 CG LYS A 102 -12.561 -8.662 -5.350 1.00 0.00 C ATOM 1686 CD LYS A 102 -12.283 -8.489 -6.834 1.00 0.00 C ATOM 1687 CE LYS A 102 -13.319 -7.591 -7.494 1.00 0.00 C ATOM 1688 NZ LYS A 102 -13.707 -8.091 -8.843 1.00 0.00 N ATOM 0 H LYS A 102 -12.076 -5.418 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.279 -8.156 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.422 -6.929 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.883 -6.637 -5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.868 -9.391 -4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.566 -9.061 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.289 -8.062 -6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.282 -9.464 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.204 -7.531 -6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.921 -6.580 -7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.414 -7.452 -9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.867 -8.125 -9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.111 -9.045 -8.757 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.444 -7.273 -4.085 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.076 -7.707 -4.342 1.00 0.00 C ATOM 1704 C ASP A 103 -7.389 -8.135 -3.049 1.00 0.00 C ATOM 1705 O ASP A 103 -6.671 -9.135 -3.015 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.280 -6.585 -5.010 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.421 -6.595 -6.519 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -8.519 -6.929 -7.009 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -6.432 -6.267 -7.210 1.00 0.00 O ATOM 0 H ASP A 103 -9.659 -6.335 -4.422 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.113 -8.565 -5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.618 -5.624 -4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.227 -6.683 -4.746 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.614 -7.372 -1.985 1.00 0.00 N ATOM 1715 CA LEU A 104 -7.017 -7.671 -0.688 1.00 0.00 C ATOM 1716 C LEU A 104 -7.477 -9.032 -0.177 1.00 0.00 C ATOM 1717 O LEU A 104 -6.671 -9.838 0.287 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.379 -6.584 0.325 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.217 -6.011 1.139 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -5.157 -5.427 0.218 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -6.719 -4.956 2.115 1.00 0.00 C ATOM 0 H LEU A 104 -8.206 -6.541 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.934 -7.697 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.862 -5.765 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.115 -6.992 1.018 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.765 -6.821 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.339 -5.024 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.776 -6.208 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.595 -4.629 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.879 -4.559 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.197 -4.147 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.441 -5.405 2.797 1.00 0.00 H new ATOM 1733 N LYS A 105 -8.778 -9.283 -0.268 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.348 -10.548 0.182 1.00 0.00 C ATOM 1735 C LYS A 105 -8.748 -11.719 -0.590 1.00 0.00 C ATOM 1736 O LYS A 105 -8.434 -12.759 -0.012 1.00 0.00 O ATOM 1737 CB LYS A 105 -10.869 -10.535 0.010 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.629 -10.623 1.322 1.00 0.00 C ATOM 1739 CD LYS A 105 -12.639 -9.496 1.457 1.00 0.00 C ATOM 1740 CE LYS A 105 -13.869 -9.939 2.233 1.00 0.00 C ATOM 1741 NZ LYS A 105 -14.003 -9.210 3.525 1.00 0.00 N ATOM 0 H LYS A 105 -9.459 -8.627 -0.650 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.109 -10.671 1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.160 -9.621 -0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.162 -11.370 -0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.143 -11.582 1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.926 -10.585 2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.175 -8.649 1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.937 -9.153 0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.760 -9.772 1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.811 -11.010 2.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.854 -9.541 4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.165 -9.390 4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.084 -8.190 3.341 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.590 -11.542 -1.898 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.027 -12.585 -2.747 1.00 0.00 C ATOM 1757 C GLU A 106 -6.577 -12.871 -2.369 1.00 0.00 C ATOM 1758 O GLU A 106 -6.155 -14.026 -2.305 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.110 -12.175 -4.219 1.00 0.00 C ATOM 1760 CG GLU A 106 -7.991 -13.344 -5.184 1.00 0.00 C ATOM 1761 CD GLU A 106 -8.786 -13.131 -6.457 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -10.014 -13.360 -6.435 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -8.182 -12.736 -7.476 1.00 0.00 O ATOM 0 H GLU A 106 -8.844 -10.687 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.610 -13.494 -2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.058 -11.666 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.319 -11.456 -4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.942 -13.497 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -8.336 -14.253 -4.692 1.00 0.00 H new ATOM 1770 N THR A 107 -5.817 -11.809 -2.117 1.00 0.00 N ATOM 1771 CA THR A 107 -4.413 -11.944 -1.746 1.00 0.00 C ATOM 1772 C THR A 107 -4.263 -12.692 -0.426 1.00 0.00 C ATOM 1773 O THR A 107 -3.531 -13.678 -0.341 1.00 0.00 O ATOM 1774 CB THR A 107 -3.729 -10.570 -1.626 1.00 0.00 C ATOM 1775 OG1 THR A 107 -4.709 -9.555 -1.377 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.956 -10.237 -2.892 1.00 0.00 C ATOM 0 H THR A 107 -6.150 -10.846 -2.163 1.00 0.00 H new ATOM 0 HA THR A 107 -3.929 -12.513 -2.540 1.00 0.00 H new ATOM 0 HB THR A 107 -3.028 -10.610 -0.792 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.183 -9.755 -0.543 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.482 -9.262 -2.783 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.192 -10.995 -3.062 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.640 -10.215 -3.741 1.00 0.00 H new ATOM 1784 N GLU A 108 -4.962 -12.217 0.600 1.00 0.00 N ATOM 1785 CA GLU A 108 -4.905 -12.842 1.917 1.00 0.00 C ATOM 1786 C GLU A 108 -5.374 -14.292 1.851 1.00 0.00 C ATOM 1787 O GLU A 108 -4.843 -15.160 2.545 1.00 0.00 O ATOM 1788 CB GLU A 108 -5.763 -12.062 2.914 1.00 0.00 C ATOM 1789 CG GLU A 108 -7.242 -12.053 2.568 1.00 0.00 C ATOM 1790 CD GLU A 108 -8.077 -11.314 3.596 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -8.010 -10.068 3.632 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -8.799 -11.984 4.364 1.00 0.00 O ATOM 0 H GLU A 108 -5.574 -11.403 0.545 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.868 -12.828 2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.633 -12.493 3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.404 -11.034 2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.380 -11.589 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.598 -13.080 2.486 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.373 -14.548 1.012 1.00 0.00 N ATOM 1800 CA GLN A 109 -6.916 -15.892 0.856 1.00 0.00 C ATOM 1801 C GLN A 109 -5.882 -16.828 0.237 1.00 0.00 C ATOM 1802 O GLN A 109 -5.740 -17.977 0.655 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.175 -15.860 -0.010 1.00 0.00 C ATOM 1804 CG GLN A 109 -8.693 -17.240 -0.383 1.00 0.00 C ATOM 1805 CD GLN A 109 -10.156 -17.227 -0.779 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -10.554 -16.522 -1.707 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -10.967 -18.009 -0.075 1.00 0.00 N ATOM 0 H GLN A 109 -6.823 -13.842 0.430 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.175 -16.269 1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.958 -15.319 0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.964 -15.301 -0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.101 -17.635 -1.208 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.555 -17.916 0.461 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.594 -18.577 0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.962 -18.042 -0.295 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.161 -16.327 -0.761 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.140 -17.117 -1.438 1.00 0.00 C ATOM 1818 C LYS A 110 -2.973 -17.416 -0.502 1.00 0.00 C ATOM 1819 O LYS A 110 -2.538 -18.561 -0.382 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.635 -16.379 -2.680 1.00 0.00 C ATOM 1821 CG LYS A 110 -3.528 -17.262 -3.911 1.00 0.00 C ATOM 1822 CD LYS A 110 -4.887 -17.792 -4.337 1.00 0.00 C ATOM 1823 CE LYS A 110 -5.405 -17.070 -5.571 1.00 0.00 C ATOM 1824 NZ LYS A 110 -6.338 -15.965 -5.217 1.00 0.00 N ATOM 0 H LYS A 110 -5.265 -15.377 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.590 -18.062 -1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.306 -15.548 -2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.656 -15.950 -2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.085 -16.695 -4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.859 -18.097 -3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.814 -18.860 -4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.598 -17.673 -3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.564 -16.668 -6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.915 -17.781 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.747 -15.564 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.100 -16.334 -4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.819 -15.223 -4.705 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.471 -16.378 0.160 1.00 0.00 N ATOM 1839 CA VAL A 111 -1.357 -16.530 1.088 1.00 0.00 C ATOM 1840 C VAL A 111 -1.698 -17.515 2.200 1.00 0.00 C ATOM 1841 O VAL A 111 -0.906 -18.399 2.528 1.00 0.00 O ATOM 1842 CB VAL A 111 -0.962 -15.180 1.716 1.00 0.00 C ATOM 1843 CG1 VAL A 111 0.172 -15.366 2.712 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -0.573 -14.183 0.634 1.00 0.00 C ATOM 0 H VAL A 111 -2.818 -15.423 0.071 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.515 -16.915 0.512 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.824 -14.783 2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.437 -14.402 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.147 -16.044 3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.039 -15.786 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.297 -13.235 1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.274 -14.572 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.417 -14.027 -0.038 1.00 0.00 H new ATOM 1854 N LYS A 112 -2.884 -17.357 2.780 1.00 0.00 N ATOM 1855 CA LYS A 112 -3.333 -18.233 3.856 1.00 0.00 C ATOM 1856 C LYS A 112 -3.634 -19.632 3.328 1.00 0.00 C ATOM 1857 O LYS A 112 -3.505 -20.619 4.052 1.00 0.00 O ATOM 1858 CB LYS A 112 -4.579 -17.651 4.528 1.00 0.00 C ATOM 1859 CG LYS A 112 -5.845 -17.811 3.705 1.00 0.00 C ATOM 1860 CD LYS A 112 -7.064 -17.289 4.449 1.00 0.00 C ATOM 1861 CE LYS A 112 -8.296 -18.133 4.162 1.00 0.00 C ATOM 1862 NZ LYS A 112 -8.545 -19.133 5.237 1.00 0.00 N ATOM 0 H LYS A 112 -3.551 -16.630 2.522 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.531 -18.306 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -4.720 -18.135 5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.414 -16.591 4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.737 -17.276 2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -5.990 -18.863 3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.864 -17.287 5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.254 -16.256 4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.166 -17.484 4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.170 -18.647 3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.393 -19.689 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.726 -19.769 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.690 -18.641 6.142 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.034 -19.709 2.064 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.351 -20.988 1.438 1.00 0.00 C ATOM 1878 C ASP A 113 -3.098 -21.847 1.293 1.00 0.00 C ATOM 1879 O ASP A 113 -3.126 -23.050 1.550 1.00 0.00 O ATOM 1880 CB ASP A 113 -4.994 -20.765 0.069 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.122 -22.050 -0.727 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -5.941 -22.908 -0.338 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -4.403 -22.197 -1.737 1.00 0.00 O ATOM 0 H ASP A 113 -4.147 -18.901 1.452 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.058 -21.514 2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.982 -20.324 0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.398 -20.048 -0.497 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.002 -21.219 0.878 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.741 -21.926 0.698 1.00 0.00 C ATOM 1890 C ILE A 114 -0.319 -22.635 1.981 1.00 0.00 C ATOM 1891 O ILE A 114 -0.256 -22.023 3.047 1.00 0.00 O ATOM 1892 CB ILE A 114 0.383 -20.968 0.261 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.371 -20.791 -1.258 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.735 -21.490 0.728 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.152 -19.443 -1.704 1.00 0.00 C ATOM 0 H ILE A 114 -1.963 -20.223 0.661 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.903 -22.666 -0.086 1.00 0.00 H new ATOM 0 HB ILE A 114 0.211 -19.996 0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.383 -20.923 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.242 -21.575 -1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.519 -20.802 0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.739 -21.569 1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.916 -22.472 0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.132 -19.387 -2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.176 -19.316 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.475 -18.654 -1.289 1.00 0.00 H new ATOM 1907 N GLN A 115 -0.031 -23.927 1.869 1.00 0.00 N ATOM 1908 CA GLN A 115 0.386 -24.719 3.021 1.00 0.00 C ATOM 1909 C GLN A 115 1.888 -24.597 3.250 1.00 0.00 C ATOM 1910 O GLN A 115 2.679 -24.662 2.308 1.00 0.00 O ATOM 1911 CB GLN A 115 0.005 -26.187 2.822 1.00 0.00 C ATOM 1912 CG GLN A 115 0.521 -26.778 1.520 1.00 0.00 C ATOM 1913 CD GLN A 115 -0.591 -27.319 0.643 1.00 0.00 C ATOM 1914 OE1 GLN A 115 -0.855 -26.795 -0.439 1.00 0.00 O ATOM 1915 NE2 GLN A 115 -1.250 -28.375 1.106 1.00 0.00 N ATOM 0 H GLN A 115 -0.078 -24.448 0.993 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.129 -24.334 3.901 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.394 -26.771 3.656 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.081 -26.279 2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.072 -26.014 0.972 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.225 -27.580 1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -0.998 -28.778 2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -2.008 -28.783 0.559 1.00 0.00 H new ATOM 1924 N THR A 116 2.277 -24.419 4.509 1.00 0.00 N ATOM 1925 CA THR A 116 3.686 -24.287 4.862 1.00 0.00 C ATOM 1926 C THR A 116 3.957 -24.841 6.257 1.00 0.00 C ATOM 1927 O THR A 116 3.029 -25.099 7.022 1.00 0.00 O ATOM 1928 CB THR A 116 4.143 -22.817 4.808 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.482 -22.061 5.829 1.00 0.00 O ATOM 1930 CG2 THR A 116 3.845 -22.208 3.446 1.00 0.00 C ATOM 0 H THR A 116 1.637 -24.363 5.301 1.00 0.00 H new ATOM 0 HA THR A 116 4.251 -24.863 4.129 1.00 0.00 H new ATOM 0 HB THR A 116 5.220 -22.787 4.974 1.00 0.00 H new ATOM 0 HG1 THR A 116 2.773 -21.517 5.426 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.176 -21.170 3.431 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.372 -22.768 2.674 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.773 -22.249 3.256 1.00 0.00 H new ATOM 1938 N GLN A 117 5.234 -25.020 6.579 1.00 0.00 N ATOM 1939 CA GLN A 117 5.626 -25.543 7.882 1.00 0.00 C ATOM 1940 C GLN A 117 5.994 -24.410 8.835 1.00 0.00 C ATOM 1941 O GLN A 117 5.800 -24.517 10.047 1.00 0.00 O ATOM 1942 CB GLN A 117 6.807 -26.505 7.735 1.00 0.00 C ATOM 1943 CG GLN A 117 6.464 -27.776 6.973 1.00 0.00 C ATOM 1944 CD GLN A 117 7.600 -28.250 6.088 1.00 0.00 C ATOM 1945 OE1 GLN A 117 8.399 -27.448 5.601 1.00 0.00 O ATOM 1946 NE2 GLN A 117 7.679 -29.558 5.876 1.00 0.00 N ATOM 0 H GLN A 117 6.014 -24.811 5.956 1.00 0.00 H new ATOM 0 HA GLN A 117 4.776 -26.083 8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.621 -25.992 7.223 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.173 -26.773 8.726 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.209 -28.563 7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.580 -27.600 6.360 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.995 -30.186 6.300 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.423 -29.936 5.290 1.00 0.00 H new