USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=13 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 52 GLN : amide:sc= 0.909 K(o=1.5,f=-5.4) USER MOD Set 1.2: A 116 THR OG1 : rot -116:sc= 0.611 USER MOD Set 2.1: A 70 GLN : amide:sc= -1.91 K(o=-2,f=-2.7) USER MOD Set 2.2: A 97 SER OG : rot -41:sc= -0.0879 USER MOD Set 3.1: A 94 GLN : amide:sc= -1.13 X(o=-2.2,f=-1.8) USER MOD Set 3.2: A 98 LYS NZ :NH3+ -130:sc= -1.08 (180deg=-1.44!) USER MOD Set 4.1: A 37 GLN : amide:sc= -0.0419 X(o=0.57,f=0.57) USER MOD Set 4.2: A 107 THR OG1 : rot 76:sc= 0.612 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.065 X(o=-0.065,f=-0.0047) USER MOD Single : A 28 LYS NZ :NH3+ -123:sc= -0.0918 (180deg=-1.32) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -3.81 K(o=-3.8,f=-7.3!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 44 ASN : amide:sc= -0.498 K(o=-0.5,f=-3.9!) USER MOD Single : A 46 ASN : amide:sc=-0.00864 K(o=-0.0086,f=-1.2) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 150:sc= 0.168 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 50:sc= -1.49 USER MOD Single : A 65 MET CE :methyl -132:sc= -0.762 (180deg=-2.17!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -1.44 K(o=-1.4,f=-2!) USER MOD Single : A 90 TYR OH : rot -162:sc= 0.682 USER MOD Single : A 95 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -168:sc= -0.0112 (180deg=-0.189) USER MOD Single : A 109 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.7) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -166:sc= -0.154 (180deg=-0.556) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 295 N LEU A 18 -13.681 14.080 4.775 1.00 0.00 N ATOM 296 CA LEU A 18 -14.259 12.806 4.363 1.00 0.00 C ATOM 297 C LEU A 18 -13.544 12.256 3.133 1.00 0.00 C ATOM 298 O LEU A 18 -12.749 11.321 3.232 1.00 0.00 O ATOM 299 CB LEU A 18 -15.750 12.972 4.068 1.00 0.00 C ATOM 300 CG LEU A 18 -16.648 13.240 5.277 1.00 0.00 C ATOM 301 CD1 LEU A 18 -18.073 13.528 4.830 1.00 0.00 C ATOM 302 CD2 LEU A 18 -16.616 12.061 6.238 1.00 0.00 C ATOM 0 HA LEU A 18 -14.133 12.097 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.871 13.793 3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.104 12.069 3.571 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.268 14.118 5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.697 13.716 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.081 14.405 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.463 12.670 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.261 12.270 7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.969 11.165 5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -15.595 11.902 6.585 1.00 0.00 H new ATOM 314 N ILE A 19 -13.831 12.843 1.976 1.00 0.00 N ATOM 315 CA ILE A 19 -13.213 12.414 0.728 1.00 0.00 C ATOM 316 C ILE A 19 -11.695 12.356 0.858 1.00 0.00 C ATOM 317 O ILE A 19 -11.059 11.411 0.390 1.00 0.00 O ATOM 318 CB ILE A 19 -13.582 13.354 -0.435 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.073 13.241 -0.758 1.00 0.00 C ATOM 320 CG2 ILE A 19 -12.742 13.032 -1.662 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.474 11.885 -1.297 1.00 0.00 C ATOM 0 H ILE A 19 -14.488 13.617 1.877 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.595 11.416 0.513 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.372 14.380 -0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.649 13.449 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.337 14.006 -1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.014 13.704 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.686 13.159 -1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.923 12.001 -1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.544 11.878 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.925 11.682 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.242 11.117 -0.559 1.00 0.00 H new ATOM 333 N GLU A 20 -11.121 13.370 1.498 1.00 0.00 N ATOM 334 CA GLU A 20 -9.678 13.433 1.690 1.00 0.00 C ATOM 335 C GLU A 20 -9.154 12.138 2.305 1.00 0.00 C ATOM 336 O GLU A 20 -8.239 11.512 1.771 1.00 0.00 O ATOM 337 CB GLU A 20 -9.310 14.620 2.582 1.00 0.00 C ATOM 338 CG GLU A 20 -9.241 15.943 1.838 1.00 0.00 C ATOM 339 CD GLU A 20 -8.449 16.994 2.591 1.00 0.00 C ATOM 340 OE1 GLU A 20 -7.947 16.685 3.691 1.00 0.00 O ATOM 341 OE2 GLU A 20 -8.332 18.128 2.078 1.00 0.00 O ATOM 0 H GLU A 20 -11.634 14.159 1.892 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.213 13.565 0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.044 14.702 3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.345 14.426 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.787 15.783 0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.252 16.311 1.664 1.00 0.00 H new ATOM 348 N GLN A 21 -9.740 11.746 3.432 1.00 0.00 N ATOM 349 CA GLN A 21 -9.333 10.527 4.120 1.00 0.00 C ATOM 350 C GLN A 21 -9.549 9.303 3.236 1.00 0.00 C ATOM 351 O GLN A 21 -8.735 8.381 3.226 1.00 0.00 O ATOM 352 CB GLN A 21 -10.111 10.371 5.428 1.00 0.00 C ATOM 353 CG GLN A 21 -9.472 11.088 6.606 1.00 0.00 C ATOM 354 CD GLN A 21 -8.438 10.238 7.316 1.00 0.00 C ATOM 355 OE1 GLN A 21 -7.802 9.375 6.707 1.00 0.00 O ATOM 356 NE2 GLN A 21 -8.262 10.475 8.611 1.00 0.00 N ATOM 0 H GLN A 21 -10.498 12.255 3.887 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.269 10.605 4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.122 10.752 5.287 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.200 9.311 5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.002 12.007 6.256 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.248 11.377 7.315 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.810 11.199 9.076 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.579 9.933 9.140 1.00 0.00 H new ATOM 365 N ALA A 22 -10.652 9.303 2.495 1.00 0.00 N ATOM 366 CA ALA A 22 -10.974 8.194 1.607 1.00 0.00 C ATOM 367 C ALA A 22 -9.914 8.033 0.521 1.00 0.00 C ATOM 368 O ALA A 22 -9.462 6.924 0.242 1.00 0.00 O ATOM 369 CB ALA A 22 -12.346 8.400 0.980 1.00 0.00 C ATOM 0 H ALA A 22 -11.337 10.059 2.492 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.991 7.280 2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.573 7.564 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.100 8.457 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.348 9.327 0.406 1.00 0.00 H new ATOM 375 N ASN A 23 -9.523 9.148 -0.087 1.00 0.00 N ATOM 376 CA ASN A 23 -8.516 9.130 -1.142 1.00 0.00 C ATOM 377 C ASN A 23 -7.175 8.640 -0.606 1.00 0.00 C ATOM 378 O ASN A 23 -6.485 7.855 -1.257 1.00 0.00 O ATOM 379 CB ASN A 23 -8.356 10.527 -1.746 1.00 0.00 C ATOM 380 CG ASN A 23 -9.121 10.686 -3.047 1.00 0.00 C ATOM 381 OD1 ASN A 23 -8.566 10.511 -4.131 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.403 11.018 -2.943 1.00 0.00 N ATOM 0 H ASN A 23 -9.888 10.075 0.132 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.851 8.441 -1.918 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.704 11.271 -1.030 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.299 10.724 -1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.969 11.138 -3.783 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.822 11.153 -2.023 1.00 0.00 H new ATOM 389 N HIS A 24 -6.812 9.107 0.584 1.00 0.00 N ATOM 390 CA HIS A 24 -5.554 8.714 1.208 1.00 0.00 C ATOM 391 C HIS A 24 -5.547 7.222 1.527 1.00 0.00 C ATOM 392 O HIS A 24 -4.534 6.546 1.356 1.00 0.00 O ATOM 393 CB HIS A 24 -5.321 9.521 2.486 1.00 0.00 C ATOM 394 CG HIS A 24 -3.898 9.505 2.953 1.00 0.00 C ATOM 395 ND1 HIS A 24 -3.544 9.476 4.286 1.00 0.00 N ATOM 396 CD2 HIS A 24 -2.737 9.513 2.257 1.00 0.00 C ATOM 397 CE1 HIS A 24 -2.226 9.468 4.388 1.00 0.00 C ATOM 398 NE2 HIS A 24 -1.714 9.490 3.171 1.00 0.00 N ATOM 0 H HIS A 24 -7.371 9.758 1.135 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.748 8.920 0.504 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.627 10.553 2.315 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -5.959 9.126 3.277 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.635 9.534 1.182 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.664 9.447 5.310 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -0.719 9.490 2.947 1.00 0.00 H new ATOM 406 N ALA A 25 -6.685 6.715 1.990 1.00 0.00 N ATOM 407 CA ALA A 25 -6.811 5.304 2.330 1.00 0.00 C ATOM 408 C ALA A 25 -6.655 4.425 1.094 1.00 0.00 C ATOM 409 O ALA A 25 -5.872 3.474 1.091 1.00 0.00 O ATOM 410 CB ALA A 25 -8.150 5.039 3.002 1.00 0.00 C ATOM 0 H ALA A 25 -7.533 7.262 2.138 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.011 5.052 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.229 3.981 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.223 5.632 3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.958 5.314 2.324 1.00 0.00 H new ATOM 416 N ILE A 26 -7.404 4.749 0.045 1.00 0.00 N ATOM 417 CA ILE A 26 -7.347 3.989 -1.197 1.00 0.00 C ATOM 418 C ILE A 26 -5.975 4.106 -1.853 1.00 0.00 C ATOM 419 O ILE A 26 -5.510 3.179 -2.514 1.00 0.00 O ATOM 420 CB ILE A 26 -8.422 4.459 -2.195 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.203 5.930 -2.558 1.00 0.00 C ATOM 422 CG2 ILE A 26 -9.812 4.254 -1.612 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.204 6.460 -3.560 1.00 0.00 C ATOM 0 H ILE A 26 -8.057 5.532 0.031 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.534 2.947 -0.937 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.339 3.863 -3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.256 6.532 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.198 6.050 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.561 4.591 -2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.964 3.196 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.908 4.828 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.988 7.508 -3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.136 5.883 -4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.210 6.372 -3.150 1.00 0.00 H new ATOM 435 N GLU A 27 -5.331 5.255 -1.663 1.00 0.00 N ATOM 436 CA GLU A 27 -4.011 5.493 -2.234 1.00 0.00 C ATOM 437 C GLU A 27 -2.970 4.575 -1.601 1.00 0.00 C ATOM 438 O GLU A 27 -2.228 3.883 -2.298 1.00 0.00 O ATOM 439 CB GLU A 27 -3.604 6.955 -2.041 1.00 0.00 C ATOM 440 CG GLU A 27 -2.339 7.338 -2.790 1.00 0.00 C ATOM 441 CD GLU A 27 -2.195 8.838 -2.964 1.00 0.00 C ATOM 442 OE1 GLU A 27 -3.139 9.466 -3.489 1.00 0.00 O ATOM 443 OE2 GLU A 27 -1.141 9.382 -2.577 1.00 0.00 O ATOM 0 H GLU A 27 -5.702 6.034 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.060 5.275 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.420 7.597 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.459 7.146 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.472 6.954 -2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.343 6.861 -3.770 1.00 0.00 H new ATOM 450 N LYS A 28 -2.920 4.575 -0.273 1.00 0.00 N ATOM 451 CA LYS A 28 -1.970 3.744 0.457 1.00 0.00 C ATOM 452 C LYS A 28 -2.319 2.265 0.313 1.00 0.00 C ATOM 453 O LYS A 28 -1.435 1.413 0.251 1.00 0.00 O ATOM 454 CB LYS A 28 -1.954 4.133 1.937 1.00 0.00 C ATOM 455 CG LYS A 28 -0.993 3.304 2.773 1.00 0.00 C ATOM 456 CD LYS A 28 -1.198 3.544 4.259 1.00 0.00 C ATOM 457 CE LYS A 28 -0.650 4.896 4.687 1.00 0.00 C ATOM 458 NZ LYS A 28 -1.663 5.978 4.538 1.00 0.00 N ATOM 0 H LYS A 28 -3.527 5.142 0.320 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.979 3.909 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.684 5.185 2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.960 4.027 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.135 2.246 2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.033 3.551 2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.261 3.491 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.706 2.755 4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.325 4.844 5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.229 5.137 4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.286 6.724 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.531 5.586 4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.881 6.381 5.472 1.00 0.00 H new ATOM 472 N GLY A 29 -3.615 1.970 0.260 1.00 0.00 N ATOM 473 CA GLY A 29 -4.056 0.595 0.122 1.00 0.00 C ATOM 474 C GLY A 29 -3.790 0.036 -1.262 1.00 0.00 C ATOM 475 O GLY A 29 -3.230 -1.050 -1.402 1.00 0.00 O ATOM 0 H GLY A 29 -4.366 2.658 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.548 -0.022 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.123 0.536 0.335 1.00 0.00 H new ATOM 479 N GLU A 30 -4.195 0.780 -2.286 1.00 0.00 N ATOM 480 CA GLU A 30 -4.000 0.350 -3.666 1.00 0.00 C ATOM 481 C GLU A 30 -2.513 0.239 -3.995 1.00 0.00 C ATOM 482 O GLU A 30 -2.093 -0.661 -4.723 1.00 0.00 O ATOM 483 CB GLU A 30 -4.676 1.328 -4.629 1.00 0.00 C ATOM 484 CG GLU A 30 -3.890 2.611 -4.844 1.00 0.00 C ATOM 485 CD GLU A 30 -2.844 2.478 -5.934 1.00 0.00 C ATOM 486 OE1 GLU A 30 -3.167 1.915 -7.001 1.00 0.00 O ATOM 487 OE2 GLU A 30 -1.703 2.939 -5.721 1.00 0.00 O ATOM 0 H GLU A 30 -4.660 1.683 -2.187 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.455 -0.634 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.822 0.836 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.665 1.578 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.578 3.416 -5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.403 2.895 -3.911 1.00 0.00 H new ATOM 494 N HIS A 31 -1.723 1.162 -3.456 1.00 0.00 N ATOM 495 CA HIS A 31 -0.285 1.169 -3.692 1.00 0.00 C ATOM 496 C HIS A 31 0.382 -0.028 -3.020 1.00 0.00 C ATOM 497 O HIS A 31 1.100 -0.792 -3.664 1.00 0.00 O ATOM 498 CB HIS A 31 0.333 2.469 -3.174 1.00 0.00 C ATOM 499 CG HIS A 31 1.810 2.561 -3.397 1.00 0.00 C ATOM 500 ND1 HIS A 31 2.726 2.605 -2.366 1.00 0.00 N ATOM 501 CD2 HIS A 31 2.532 2.614 -4.540 1.00 0.00 C ATOM 502 CE1 HIS A 31 3.946 2.684 -2.866 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.856 2.691 -4.184 1.00 0.00 N ATOM 0 H HIS A 31 -2.055 1.915 -2.853 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.118 1.100 -4.767 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.153 3.313 -3.664 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.129 2.559 -2.107 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.140 2.599 -5.546 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.861 2.734 -2.295 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.642 2.745 -4.832 1.00 0.00 H new ATOM 511 N GLN A 32 0.140 -0.182 -1.722 1.00 0.00 N ATOM 512 CA GLN A 32 0.718 -1.285 -0.963 1.00 0.00 C ATOM 513 C GLN A 32 0.228 -2.628 -1.495 1.00 0.00 C ATOM 514 O GLN A 32 0.961 -3.617 -1.482 1.00 0.00 O ATOM 515 CB GLN A 32 0.367 -1.150 0.519 1.00 0.00 C ATOM 516 CG GLN A 32 -1.072 -1.521 0.840 1.00 0.00 C ATOM 517 CD GLN A 32 -1.384 -1.422 2.320 1.00 0.00 C ATOM 518 OE1 GLN A 32 -2.339 -0.756 2.721 1.00 0.00 O ATOM 519 NE2 GLN A 32 -0.579 -2.086 3.141 1.00 0.00 N ATOM 0 H GLN A 32 -0.452 0.443 -1.174 1.00 0.00 H new ATOM 0 HA GLN A 32 1.801 -1.244 -1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.035 -1.784 1.101 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.547 -0.122 0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.744 -0.866 0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.266 -2.538 0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.201 -2.625 2.765 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.740 -2.057 4.148 1.00 0.00 H new ATOM 528 N LEU A 33 -1.015 -2.655 -1.962 1.00 0.00 N ATOM 529 CA LEU A 33 -1.604 -3.877 -2.498 1.00 0.00 C ATOM 530 C LEU A 33 -0.967 -4.248 -3.834 1.00 0.00 C ATOM 531 O LEU A 33 -0.591 -5.399 -4.057 1.00 0.00 O ATOM 532 CB LEU A 33 -3.114 -3.706 -2.670 1.00 0.00 C ATOM 533 CG LEU A 33 -3.873 -4.928 -3.191 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.815 -4.984 -4.709 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.309 -6.204 -2.584 1.00 0.00 C ATOM 0 H LEU A 33 -1.635 -1.845 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.414 -4.683 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.539 -3.422 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.290 -2.875 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.917 -4.839 -2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.360 -5.860 -5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.267 -4.083 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.776 -5.049 -5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.861 -7.063 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.257 -6.300 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.405 -6.164 -1.499 1.00 0.00 H new ATOM 547 N LEU A 34 -0.847 -3.264 -4.720 1.00 0.00 N ATOM 548 CA LEU A 34 -0.254 -3.486 -6.034 1.00 0.00 C ATOM 549 C LEU A 34 1.175 -4.004 -5.904 1.00 0.00 C ATOM 550 O LEU A 34 1.581 -4.921 -6.619 1.00 0.00 O ATOM 551 CB LEU A 34 -0.267 -2.190 -6.846 1.00 0.00 C ATOM 552 CG LEU A 34 -1.614 -1.792 -7.450 1.00 0.00 C ATOM 553 CD1 LEU A 34 -1.569 -0.357 -7.955 1.00 0.00 C ATOM 554 CD2 LEU A 34 -1.997 -2.742 -8.574 1.00 0.00 C ATOM 0 H LEU A 34 -1.153 -2.305 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.848 -4.238 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.075 -1.378 -6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.458 -2.284 -7.654 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.373 -1.859 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.536 -0.091 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.341 0.313 -7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.797 -0.264 -8.719 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.958 -2.443 -8.992 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.236 -2.708 -9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.071 -3.757 -8.183 1.00 0.00 H new ATOM 566 N TYR A 35 1.933 -3.412 -4.988 1.00 0.00 N ATOM 567 CA TYR A 35 3.317 -3.813 -4.766 1.00 0.00 C ATOM 568 C TYR A 35 3.386 -5.148 -4.031 1.00 0.00 C ATOM 569 O TYR A 35 4.287 -5.955 -4.264 1.00 0.00 O ATOM 570 CB TYR A 35 4.060 -2.740 -3.969 1.00 0.00 C ATOM 571 CG TYR A 35 5.348 -3.229 -3.348 1.00 0.00 C ATOM 572 CD1 TYR A 35 5.359 -3.798 -2.080 1.00 0.00 C ATOM 573 CD2 TYR A 35 6.555 -3.124 -4.028 1.00 0.00 C ATOM 574 CE1 TYR A 35 6.534 -4.246 -1.508 1.00 0.00 C ATOM 575 CE2 TYR A 35 7.734 -3.570 -3.465 1.00 0.00 C ATOM 576 CZ TYR A 35 7.719 -4.130 -2.205 1.00 0.00 C ATOM 577 OH TYR A 35 8.892 -4.575 -1.640 1.00 0.00 O ATOM 0 H TYR A 35 1.612 -2.653 -4.387 1.00 0.00 H new ATOM 0 HA TYR A 35 3.795 -3.929 -5.739 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.280 -1.899 -4.626 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.406 -2.367 -3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.433 -3.892 -1.532 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.571 -2.686 -5.015 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.525 -4.684 -0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.663 -3.481 -4.008 1.00 0.00 H new ATOM 0 HH TYR A 35 9.634 -4.421 -2.262 1.00 0.00 H new ATOM 587 N LEU A 36 2.427 -5.375 -3.140 1.00 0.00 N ATOM 588 CA LEU A 36 2.376 -6.612 -2.368 1.00 0.00 C ATOM 589 C LEU A 36 2.032 -7.798 -3.263 1.00 0.00 C ATOM 590 O LEU A 36 2.436 -8.929 -2.993 1.00 0.00 O ATOM 591 CB LEU A 36 1.347 -6.493 -1.243 1.00 0.00 C ATOM 592 CG LEU A 36 1.855 -5.896 0.071 1.00 0.00 C ATOM 593 CD1 LEU A 36 0.689 -5.460 0.945 1.00 0.00 C ATOM 594 CD2 LEU A 36 2.732 -6.897 0.808 1.00 0.00 C ATOM 0 H LEU A 36 1.674 -4.719 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 36 3.361 -6.781 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.517 -5.882 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.947 -7.486 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 36 2.457 -5.017 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.069 -5.038 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.101 -4.708 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.060 -6.321 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.084 -6.455 1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.154 -7.795 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.587 -7.159 0.185 1.00 0.00 H new ATOM 606 N GLN A 37 1.285 -7.531 -4.330 1.00 0.00 N ATOM 607 CA GLN A 37 0.889 -8.576 -5.266 1.00 0.00 C ATOM 608 C GLN A 37 2.096 -9.399 -5.707 1.00 0.00 C ATOM 609 O GLN A 37 2.013 -10.620 -5.840 1.00 0.00 O ATOM 610 CB GLN A 37 0.201 -7.964 -6.486 1.00 0.00 C ATOM 611 CG GLN A 37 -1.282 -7.700 -6.280 1.00 0.00 C ATOM 612 CD GLN A 37 -2.114 -8.966 -6.340 1.00 0.00 C ATOM 613 OE1 GLN A 37 -2.139 -9.659 -7.358 1.00 0.00 O ATOM 614 NE2 GLN A 37 -2.801 -9.275 -5.247 1.00 0.00 N ATOM 0 H GLN A 37 0.942 -6.600 -4.567 1.00 0.00 H new ATOM 0 HA GLN A 37 0.188 -9.237 -4.757 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.696 -7.027 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.328 -8.633 -7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.431 -7.218 -5.314 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.632 -7.003 -7.041 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.751 -8.672 -4.426 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.379 -10.115 -5.228 1.00 0.00 H new ATOM 623 N HIS A 38 3.217 -8.721 -5.931 1.00 0.00 N ATOM 624 CA HIS A 38 4.441 -9.389 -6.358 1.00 0.00 C ATOM 625 C HIS A 38 4.856 -10.457 -5.351 1.00 0.00 C ATOM 626 O HIS A 38 5.048 -11.619 -5.709 1.00 0.00 O ATOM 627 CB HIS A 38 5.568 -8.370 -6.533 1.00 0.00 C ATOM 628 CG HIS A 38 5.621 -7.764 -7.900 1.00 0.00 C ATOM 629 ND1 HIS A 38 4.539 -7.146 -8.492 1.00 0.00 N ATOM 630 CD2 HIS A 38 6.634 -7.681 -8.794 1.00 0.00 C ATOM 631 CE1 HIS A 38 4.885 -6.711 -9.691 1.00 0.00 C ATOM 632 NE2 HIS A 38 6.152 -7.023 -9.898 1.00 0.00 N ATOM 0 H HIS A 38 3.303 -7.710 -5.824 1.00 0.00 H new ATOM 0 HA HIS A 38 4.247 -9.873 -7.315 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.446 -7.575 -5.797 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.521 -8.855 -6.323 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.636 -8.062 -8.663 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.241 -6.189 -10.384 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.685 -6.810 -10.741 1.00 0.00 H new ATOM 640 N GLN A 39 4.993 -10.055 -4.091 1.00 0.00 N ATOM 641 CA GLN A 39 5.387 -10.978 -3.034 1.00 0.00 C ATOM 642 C GLN A 39 4.423 -12.156 -2.953 1.00 0.00 C ATOM 643 O GLN A 39 4.837 -13.299 -2.752 1.00 0.00 O ATOM 644 CB GLN A 39 5.439 -10.252 -1.688 1.00 0.00 C ATOM 645 CG GLN A 39 6.282 -8.987 -1.711 1.00 0.00 C ATOM 646 CD GLN A 39 7.579 -9.162 -2.475 1.00 0.00 C ATOM 647 OE1 GLN A 39 7.791 -8.536 -3.513 1.00 0.00 O ATOM 648 NE2 GLN A 39 8.455 -10.019 -1.964 1.00 0.00 N ATOM 0 H GLN A 39 4.837 -9.097 -3.778 1.00 0.00 H new ATOM 0 HA GLN A 39 6.380 -11.361 -3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.424 -9.997 -1.383 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.838 -10.931 -0.934 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.706 -8.179 -2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.506 -8.686 -0.688 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.238 -10.517 -1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.345 -10.180 -2.435 1.00 0.00 H new ATOM 657 N LEU A 40 3.134 -11.872 -3.109 1.00 0.00 N ATOM 658 CA LEU A 40 2.110 -12.909 -3.053 1.00 0.00 C ATOM 659 C LEU A 40 2.360 -13.979 -4.110 1.00 0.00 C ATOM 660 O LEU A 40 2.444 -15.167 -3.798 1.00 0.00 O ATOM 661 CB LEU A 40 0.723 -12.293 -3.252 1.00 0.00 C ATOM 662 CG LEU A 40 -0.409 -13.275 -3.553 1.00 0.00 C ATOM 663 CD1 LEU A 40 -0.748 -14.095 -2.318 1.00 0.00 C ATOM 664 CD2 LEU A 40 -1.640 -12.533 -4.056 1.00 0.00 C ATOM 0 H LEU A 40 2.774 -10.932 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 40 2.156 -13.378 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.463 -11.734 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.780 -11.574 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.074 -13.956 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.556 -14.788 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.131 -14.656 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.063 -13.429 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.436 -13.248 -4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.976 -11.828 -3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.391 -11.991 -4.968 1.00 0.00 H new ATOM 676 N ASP A 41 2.480 -13.551 -5.362 1.00 0.00 N ATOM 677 CA ASP A 41 2.725 -14.473 -6.465 1.00 0.00 C ATOM 678 C ASP A 41 3.983 -15.297 -6.216 1.00 0.00 C ATOM 679 O ASP A 41 4.012 -16.498 -6.482 1.00 0.00 O ATOM 680 CB ASP A 41 2.856 -13.703 -7.781 1.00 0.00 C ATOM 681 CG ASP A 41 2.656 -14.592 -8.993 1.00 0.00 C ATOM 682 OD1 ASP A 41 1.676 -15.364 -9.007 1.00 0.00 O ATOM 683 OD2 ASP A 41 3.482 -14.514 -9.928 1.00 0.00 O ATOM 0 H ASP A 41 2.412 -12.572 -5.638 1.00 0.00 H new ATOM 0 HA ASP A 41 1.876 -15.153 -6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.124 -12.896 -7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.842 -13.240 -7.832 1.00 0.00 H new ATOM 688 N GLU A 42 5.021 -14.643 -5.705 1.00 0.00 N ATOM 689 CA GLU A 42 6.284 -15.316 -5.422 1.00 0.00 C ATOM 690 C GLU A 42 6.124 -16.312 -4.277 1.00 0.00 C ATOM 691 O GLU A 42 6.728 -17.386 -4.285 1.00 0.00 O ATOM 692 CB GLU A 42 7.367 -14.293 -5.073 1.00 0.00 C ATOM 693 CG GLU A 42 8.619 -14.911 -4.476 1.00 0.00 C ATOM 694 CD GLU A 42 9.882 -14.174 -4.877 1.00 0.00 C ATOM 695 OE1 GLU A 42 10.007 -12.980 -4.532 1.00 0.00 O ATOM 696 OE2 GLU A 42 10.746 -14.790 -5.536 1.00 0.00 O ATOM 0 H GLU A 42 5.013 -13.649 -5.478 1.00 0.00 H new ATOM 0 HA GLU A 42 6.584 -15.861 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.638 -13.742 -5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.958 -13.570 -4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.535 -14.915 -3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.693 -15.951 -4.794 1.00 0.00 H new ATOM 703 N LEU A 43 5.307 -15.950 -3.294 1.00 0.00 N ATOM 704 CA LEU A 43 5.068 -16.811 -2.142 1.00 0.00 C ATOM 705 C LEU A 43 4.243 -18.032 -2.536 1.00 0.00 C ATOM 706 O LEU A 43 4.384 -19.104 -1.951 1.00 0.00 O ATOM 707 CB LEU A 43 4.350 -16.032 -1.038 1.00 0.00 C ATOM 708 CG LEU A 43 4.065 -16.802 0.251 1.00 0.00 C ATOM 709 CD1 LEU A 43 2.798 -17.631 0.110 1.00 0.00 C ATOM 710 CD2 LEU A 43 5.248 -17.690 0.614 1.00 0.00 C ATOM 0 H LEU A 43 4.799 -15.066 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 43 6.034 -17.152 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.950 -15.157 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.403 -15.667 -1.436 1.00 0.00 H new ATOM 0 HG LEU A 43 3.915 -16.082 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.612 -18.172 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.955 -16.974 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.918 -18.343 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.028 -18.231 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.429 -18.402 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.135 -17.073 0.759 1.00 0.00 H new ATOM 722 N ASN A 44 3.382 -17.861 -3.536 1.00 0.00 N ATOM 723 CA ASN A 44 2.535 -18.950 -4.010 1.00 0.00 C ATOM 724 C ASN A 44 3.377 -20.152 -4.424 1.00 0.00 C ATOM 725 O ASN A 44 3.052 -21.292 -4.094 1.00 0.00 O ATOM 726 CB ASN A 44 1.680 -18.481 -5.189 1.00 0.00 C ATOM 727 CG ASN A 44 0.361 -17.879 -4.743 1.00 0.00 C ATOM 728 OD1 ASN A 44 -0.692 -18.181 -5.303 1.00 0.00 O ATOM 729 ND2 ASN A 44 0.414 -17.022 -3.731 1.00 0.00 N ATOM 0 H ASN A 44 3.253 -16.979 -4.033 1.00 0.00 H new ATOM 0 HA ASN A 44 1.881 -19.252 -3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.236 -17.743 -5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.486 -19.324 -5.852 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.441 -16.585 -3.388 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.310 -16.801 -3.296 1.00 0.00 H new ATOM 736 N GLU A 45 4.461 -19.889 -5.148 1.00 0.00 N ATOM 737 CA GLU A 45 5.349 -20.951 -5.608 1.00 0.00 C ATOM 738 C GLU A 45 6.449 -21.219 -4.585 1.00 0.00 C ATOM 739 O GLU A 45 6.755 -22.370 -4.277 1.00 0.00 O ATOM 740 CB GLU A 45 5.969 -20.579 -6.956 1.00 0.00 C ATOM 741 CG GLU A 45 6.453 -21.778 -7.754 1.00 0.00 C ATOM 742 CD GLU A 45 5.322 -22.505 -8.455 1.00 0.00 C ATOM 743 OE1 GLU A 45 4.517 -21.837 -9.137 1.00 0.00 O ATOM 744 OE2 GLU A 45 5.243 -23.745 -8.322 1.00 0.00 O ATOM 0 H GLU A 45 4.745 -18.950 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 45 4.758 -21.859 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.233 -20.033 -7.547 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.807 -19.903 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.182 -21.447 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.967 -22.470 -7.087 1.00 0.00 H new ATOM 751 N ASN A 46 7.040 -20.148 -4.065 1.00 0.00 N ATOM 752 CA ASN A 46 8.107 -20.268 -3.079 1.00 0.00 C ATOM 753 C ASN A 46 7.642 -21.074 -1.869 1.00 0.00 C ATOM 754 O ASN A 46 8.422 -21.804 -1.257 1.00 0.00 O ATOM 755 CB ASN A 46 8.575 -18.881 -2.633 1.00 0.00 C ATOM 756 CG ASN A 46 9.819 -18.943 -1.766 1.00 0.00 C ATOM 757 OD1 ASN A 46 10.506 -19.963 -1.718 1.00 0.00 O ATOM 758 ND2 ASN A 46 10.113 -17.847 -1.076 1.00 0.00 N ATOM 0 H ASN A 46 6.798 -19.188 -4.310 1.00 0.00 H new ATOM 0 HA ASN A 46 8.941 -20.794 -3.544 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.778 -18.269 -3.512 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.774 -18.390 -2.080 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.937 -17.828 -0.476 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.514 -17.024 -1.147 1.00 0.00 H new ATOM 765 N LYS A 47 6.365 -20.935 -1.528 1.00 0.00 N ATOM 766 CA LYS A 47 5.793 -21.651 -0.393 1.00 0.00 C ATOM 767 C LYS A 47 6.634 -21.438 0.862 1.00 0.00 C ATOM 768 O LYS A 47 6.803 -22.352 1.668 1.00 0.00 O ATOM 769 CB LYS A 47 5.692 -23.145 -0.705 1.00 0.00 C ATOM 770 CG LYS A 47 4.916 -23.451 -1.975 1.00 0.00 C ATOM 771 CD LYS A 47 3.420 -23.510 -1.713 1.00 0.00 C ATOM 772 CE LYS A 47 2.705 -24.353 -2.759 1.00 0.00 C ATOM 773 NZ LYS A 47 2.531 -25.762 -2.310 1.00 0.00 N ATOM 0 H LYS A 47 5.706 -20.333 -2.022 1.00 0.00 H new ATOM 0 HA LYS A 47 4.793 -21.256 -0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.697 -23.557 -0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.214 -23.651 0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.125 -22.687 -2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.252 -24.402 -2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.239 -23.927 -0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.009 -22.500 -1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.729 -23.917 -2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.272 -24.336 -3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.040 -26.304 -3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.463 -26.187 -2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.968 -25.781 -1.436 1.00 0.00 H new ATOM 787 N SER A 48 7.154 -20.225 1.023 1.00 0.00 N ATOM 788 CA SER A 48 7.977 -19.895 2.179 1.00 0.00 C ATOM 789 C SER A 48 7.121 -19.750 3.433 1.00 0.00 C ATOM 790 O SER A 48 6.131 -19.017 3.442 1.00 0.00 O ATOM 791 CB SER A 48 8.754 -18.601 1.926 1.00 0.00 C ATOM 792 OG SER A 48 9.054 -17.939 3.142 1.00 0.00 O ATOM 0 H SER A 48 7.019 -19.455 0.367 1.00 0.00 H new ATOM 0 HA SER A 48 8.683 -20.710 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.678 -18.826 1.394 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.169 -17.942 1.284 1.00 0.00 H new ATOM 0 HG SER A 48 9.892 -17.440 3.045 1.00 0.00 H new ATOM 798 N LYS A 49 7.508 -20.454 4.491 1.00 0.00 N ATOM 799 CA LYS A 49 6.778 -20.405 5.752 1.00 0.00 C ATOM 800 C LYS A 49 6.822 -19.003 6.352 1.00 0.00 C ATOM 801 O LYS A 49 5.798 -18.467 6.775 1.00 0.00 O ATOM 802 CB LYS A 49 7.362 -21.415 6.743 1.00 0.00 C ATOM 803 CG LYS A 49 8.863 -21.280 6.933 1.00 0.00 C ATOM 804 CD LYS A 49 9.535 -22.638 7.042 1.00 0.00 C ATOM 805 CE LYS A 49 10.912 -22.633 6.394 1.00 0.00 C ATOM 806 NZ LYS A 49 11.359 -24.006 6.030 1.00 0.00 N ATOM 0 H LYS A 49 8.324 -21.066 4.500 1.00 0.00 H new ATOM 0 HA LYS A 49 5.738 -20.662 5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.869 -21.292 7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.137 -22.424 6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.289 -20.729 6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.066 -20.699 7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.627 -22.916 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.910 -23.393 6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.890 -22.009 5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.633 -22.186 7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.301 -23.960 5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.404 -24.595 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.684 -24.424 5.358 1.00 0.00 H new ATOM 820 N GLU A 50 8.015 -18.416 6.386 1.00 0.00 N ATOM 821 CA GLU A 50 8.190 -17.076 6.933 1.00 0.00 C ATOM 822 C GLU A 50 7.512 -16.033 6.049 1.00 0.00 C ATOM 823 O GLU A 50 6.829 -15.134 6.542 1.00 0.00 O ATOM 824 CB GLU A 50 9.678 -16.750 7.076 1.00 0.00 C ATOM 825 CG GLU A 50 10.461 -16.908 5.783 1.00 0.00 C ATOM 826 CD GLU A 50 11.954 -16.718 5.979 1.00 0.00 C ATOM 827 OE1 GLU A 50 12.586 -17.595 6.604 1.00 0.00 O ATOM 828 OE2 GLU A 50 12.488 -15.693 5.507 1.00 0.00 O ATOM 0 H GLU A 50 8.873 -18.847 6.042 1.00 0.00 H new ATOM 0 HA GLU A 50 7.723 -17.050 7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.785 -15.726 7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.113 -17.399 7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.276 -17.899 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.099 -16.185 5.052 1.00 0.00 H new ATOM 835 N LEU A 51 7.705 -16.159 4.742 1.00 0.00 N ATOM 836 CA LEU A 51 7.113 -15.229 3.787 1.00 0.00 C ATOM 837 C LEU A 51 5.591 -15.244 3.883 1.00 0.00 C ATOM 838 O LEU A 51 4.942 -14.205 3.767 1.00 0.00 O ATOM 839 CB LEU A 51 7.549 -15.581 2.364 1.00 0.00 C ATOM 840 CG LEU A 51 7.281 -14.517 1.297 1.00 0.00 C ATOM 841 CD1 LEU A 51 7.915 -13.193 1.692 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.803 -14.977 -0.057 1.00 0.00 C ATOM 0 H LEU A 51 8.267 -16.897 4.318 1.00 0.00 H new ATOM 0 HA LEU A 51 7.464 -14.226 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.618 -15.795 2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.043 -16.500 2.067 1.00 0.00 H new ATOM 0 HG LEU A 51 6.204 -14.371 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.714 -12.449 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.494 -12.857 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.992 -13.323 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.604 -14.208 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.877 -15.151 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.302 -15.901 -0.345 1.00 0.00 H new ATOM 854 N GLN A 52 5.029 -16.430 4.098 1.00 0.00 N ATOM 855 CA GLN A 52 3.583 -16.580 4.212 1.00 0.00 C ATOM 856 C GLN A 52 3.073 -15.962 5.509 1.00 0.00 C ATOM 857 O GLN A 52 2.177 -15.118 5.495 1.00 0.00 O ATOM 858 CB GLN A 52 3.196 -18.058 4.149 1.00 0.00 C ATOM 859 CG GLN A 52 1.696 -18.297 4.193 1.00 0.00 C ATOM 860 CD GLN A 52 1.337 -19.662 4.746 1.00 0.00 C ATOM 861 OE1 GLN A 52 1.862 -20.682 4.301 1.00 0.00 O ATOM 862 NE2 GLN A 52 0.439 -19.687 5.724 1.00 0.00 N ATOM 0 H GLN A 52 5.553 -17.300 4.197 1.00 0.00 H new ATOM 0 HA GLN A 52 3.121 -16.056 3.375 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.598 -18.491 3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.664 -18.583 4.982 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.227 -17.527 4.805 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.287 -18.198 3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.029 -18.816 6.062 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.159 -20.577 6.137 1.00 0.00 H new ATOM 871 N GLU A 53 3.647 -16.390 6.629 1.00 0.00 N ATOM 872 CA GLU A 53 3.248 -15.879 7.935 1.00 0.00 C ATOM 873 C GLU A 53 3.419 -14.365 8.002 1.00 0.00 C ATOM 874 O GLU A 53 2.694 -13.677 8.721 1.00 0.00 O ATOM 875 CB GLU A 53 4.068 -16.547 9.041 1.00 0.00 C ATOM 876 CG GLU A 53 3.464 -17.845 9.546 1.00 0.00 C ATOM 877 CD GLU A 53 4.364 -18.562 10.535 1.00 0.00 C ATOM 878 OE1 GLU A 53 5.555 -18.198 10.624 1.00 0.00 O ATOM 879 OE2 GLU A 53 3.876 -19.486 11.219 1.00 0.00 O ATOM 0 H GLU A 53 4.389 -17.089 6.658 1.00 0.00 H new ATOM 0 HA GLU A 53 2.194 -16.114 8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.073 -16.745 8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.169 -15.854 9.876 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.505 -17.635 10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.265 -18.502 8.699 1.00 0.00 H new ATOM 886 N LYS A 54 4.386 -13.850 7.249 1.00 0.00 N ATOM 887 CA LYS A 54 4.655 -12.418 7.222 1.00 0.00 C ATOM 888 C LYS A 54 3.591 -11.680 6.414 1.00 0.00 C ATOM 889 O LYS A 54 2.969 -10.738 6.905 1.00 0.00 O ATOM 890 CB LYS A 54 6.039 -12.150 6.626 1.00 0.00 C ATOM 891 CG LYS A 54 7.180 -12.447 7.584 1.00 0.00 C ATOM 892 CD LYS A 54 7.532 -11.233 8.426 1.00 0.00 C ATOM 893 CE LYS A 54 6.845 -11.278 9.783 1.00 0.00 C ATOM 894 NZ LYS A 54 7.676 -10.650 10.847 1.00 0.00 N ATOM 0 H LYS A 54 4.997 -14.405 6.649 1.00 0.00 H new ATOM 0 HA LYS A 54 4.629 -12.049 8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.162 -12.755 5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.097 -11.106 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.902 -13.275 8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.056 -12.766 7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.612 -11.186 8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.239 -10.325 7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.885 -10.765 9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.636 -12.314 10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.173 -10.701 11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.582 -11.155 10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.855 -9.654 10.606 1.00 0.00 H new ATOM 908 N ILE A 55 3.388 -12.115 5.175 1.00 0.00 N ATOM 909 CA ILE A 55 2.398 -11.497 4.302 1.00 0.00 C ATOM 910 C ILE A 55 1.011 -11.530 4.934 1.00 0.00 C ATOM 911 O ILE A 55 0.344 -10.501 5.046 1.00 0.00 O ATOM 912 CB ILE A 55 2.343 -12.196 2.931 1.00 0.00 C ATOM 913 CG1 ILE A 55 3.685 -12.062 2.211 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.221 -11.612 2.083 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.925 -13.136 1.173 1.00 0.00 C ATOM 0 H ILE A 55 3.896 -12.893 4.753 1.00 0.00 H new ATOM 0 HA ILE A 55 2.705 -10.461 4.160 1.00 0.00 H new ATOM 0 HB ILE A 55 2.141 -13.255 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.733 -11.085 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.488 -12.094 2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.195 -12.116 1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.268 -11.754 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.396 -10.547 1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.896 -12.977 0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.909 -14.115 1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.143 -13.090 0.415 1.00 0.00 H new ATOM 927 N ILE A 56 0.582 -12.719 5.346 1.00 0.00 N ATOM 928 CA ILE A 56 -0.724 -12.886 5.969 1.00 0.00 C ATOM 929 C ILE A 56 -0.889 -11.948 7.160 1.00 0.00 C ATOM 930 O ILE A 56 -1.981 -11.444 7.421 1.00 0.00 O ATOM 931 CB ILE A 56 -0.943 -14.337 6.438 1.00 0.00 C ATOM 932 CG1 ILE A 56 -2.354 -14.503 7.008 1.00 0.00 C ATOM 933 CG2 ILE A 56 0.102 -14.722 7.473 1.00 0.00 C ATOM 934 CD1 ILE A 56 -2.787 -15.947 7.134 1.00 0.00 C ATOM 0 H ILE A 56 1.121 -13.581 5.259 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.468 -12.642 5.211 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.837 -15.002 5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.399 -14.031 7.990 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.061 -13.974 6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.066 -15.750 7.795 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.097 -14.637 7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.026 -14.056 8.332 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.796 -15.990 7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.775 -16.418 6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.103 -16.475 7.798 1.00 0.00 H new ATOM 946 N ARG A 57 0.205 -11.718 7.881 1.00 0.00 N ATOM 947 CA ARG A 57 0.182 -10.840 9.044 1.00 0.00 C ATOM 948 C ARG A 57 -0.064 -9.392 8.629 1.00 0.00 C ATOM 949 O ARG A 57 -0.972 -8.737 9.139 1.00 0.00 O ATOM 950 CB ARG A 57 1.501 -10.943 9.813 1.00 0.00 C ATOM 951 CG ARG A 57 1.371 -11.652 11.151 1.00 0.00 C ATOM 952 CD ARG A 57 0.872 -13.078 10.980 1.00 0.00 C ATOM 953 NE ARG A 57 1.780 -14.052 11.580 1.00 0.00 N ATOM 954 CZ ARG A 57 1.449 -15.316 11.822 1.00 0.00 C ATOM 955 NH1 ARG A 57 0.236 -15.756 11.515 1.00 0.00 N ATOM 956 NH2 ARG A 57 2.330 -16.141 12.370 1.00 0.00 N ATOM 0 H ARG A 57 1.117 -12.128 7.679 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.635 -11.158 9.691 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.229 -11.473 9.199 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.894 -9.940 9.979 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.338 -11.662 11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.684 -11.099 11.792 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.114 -13.174 11.435 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.756 -13.297 9.918 1.00 0.00 H new ATOM 0 HE ARG A 57 2.721 -13.745 11.827 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.444 -15.124 11.093 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.017 -16.726 11.701 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.264 -15.806 12.607 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.074 -17.111 12.555 1.00 0.00 H new ATOM 970 N GLU A 58 0.751 -8.902 7.700 1.00 0.00 N ATOM 971 CA GLU A 58 0.621 -7.531 7.219 1.00 0.00 C ATOM 972 C GLU A 58 -0.725 -7.321 6.530 1.00 0.00 C ATOM 973 O GLU A 58 -1.353 -6.272 6.675 1.00 0.00 O ATOM 974 CB GLU A 58 1.758 -7.197 6.251 1.00 0.00 C ATOM 975 CG GLU A 58 2.121 -5.722 6.225 1.00 0.00 C ATOM 976 CD GLU A 58 2.892 -5.333 4.978 1.00 0.00 C ATOM 977 OE1 GLU A 58 3.913 -5.989 4.681 1.00 0.00 O ATOM 978 OE2 GLU A 58 2.473 -4.373 4.298 1.00 0.00 O ATOM 0 H GLU A 58 1.507 -9.432 7.266 1.00 0.00 H new ATOM 0 HA GLU A 58 0.677 -6.865 8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.640 -7.775 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.473 -7.510 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.210 -5.126 6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.717 -5.483 7.106 1.00 0.00 H new ATOM 985 N LEU A 59 -1.162 -8.328 5.780 1.00 0.00 N ATOM 986 CA LEU A 59 -2.432 -8.255 5.067 1.00 0.00 C ATOM 987 C LEU A 59 -3.601 -8.180 6.044 1.00 0.00 C ATOM 988 O LEU A 59 -4.526 -7.386 5.862 1.00 0.00 O ATOM 989 CB LEU A 59 -2.597 -9.469 4.151 1.00 0.00 C ATOM 990 CG LEU A 59 -3.650 -9.341 3.050 1.00 0.00 C ATOM 991 CD1 LEU A 59 -3.422 -10.388 1.970 1.00 0.00 C ATOM 992 CD2 LEU A 59 -5.049 -9.470 3.634 1.00 0.00 C ATOM 0 H LEU A 59 -0.655 -9.204 5.650 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.428 -7.349 4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.635 -9.680 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.848 -10.332 4.767 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.557 -8.354 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.181 -10.282 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.434 -10.250 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.488 -11.384 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.786 -9.376 2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.155 -10.443 4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.210 -8.683 4.371 1.00 0.00 H new ATOM 1004 N ASP A 60 -3.552 -9.007 7.082 1.00 0.00 N ATOM 1005 CA ASP A 60 -4.605 -9.032 8.091 1.00 0.00 C ATOM 1006 C ASP A 60 -4.704 -7.688 8.806 1.00 0.00 C ATOM 1007 O ASP A 60 -5.779 -7.094 8.887 1.00 0.00 O ATOM 1008 CB ASP A 60 -4.342 -10.146 9.105 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.558 -10.449 9.960 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.645 -10.672 9.388 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -5.420 -10.464 11.201 1.00 0.00 O ATOM 0 H ASP A 60 -2.794 -9.669 7.247 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.552 -9.226 7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.038 -11.050 8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.511 -9.859 9.749 1.00 0.00 H new ATOM 1016 N VAL A 61 -3.576 -7.216 9.326 1.00 0.00 N ATOM 1017 CA VAL A 61 -3.534 -5.943 10.036 1.00 0.00 C ATOM 1018 C VAL A 61 -4.050 -4.808 9.158 1.00 0.00 C ATOM 1019 O VAL A 61 -4.944 -4.060 9.554 1.00 0.00 O ATOM 1020 CB VAL A 61 -2.106 -5.606 10.502 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -2.090 -4.290 11.265 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -1.545 -6.734 11.356 1.00 0.00 C ATOM 0 H VAL A 61 -2.678 -7.696 9.269 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.178 -6.047 10.909 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.471 -5.496 9.623 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.072 -4.068 11.587 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.449 -3.490 10.618 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.738 -4.368 12.138 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.535 -6.480 11.677 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.179 -6.877 12.231 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.519 -7.654 10.772 1.00 0.00 H new ATOM 1032 N VAL A 62 -3.483 -4.686 7.962 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.886 -3.644 7.026 1.00 0.00 C ATOM 1034 C VAL A 62 -5.358 -3.781 6.652 1.00 0.00 C ATOM 1035 O VAL A 62 -6.144 -2.850 6.832 1.00 0.00 O ATOM 1036 CB VAL A 62 -3.036 -3.681 5.744 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.532 -2.649 4.743 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.567 -3.455 6.070 1.00 0.00 C ATOM 0 H VAL A 62 -2.742 -5.297 7.618 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.729 -2.690 7.528 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.137 -4.668 5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.918 -2.691 3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.569 -2.862 4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.464 -1.654 5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.982 -3.485 5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.446 -2.482 6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.220 -4.236 6.746 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.724 -4.947 6.132 1.00 0.00 N ATOM 1049 CA CYS A 63 -7.102 -5.206 5.732 1.00 0.00 C ATOM 1050 C CYS A 63 -8.065 -4.928 6.883 1.00 0.00 C ATOM 1051 O CYS A 63 -9.225 -4.582 6.664 1.00 0.00 O ATOM 1052 CB CYS A 63 -7.255 -6.655 5.263 1.00 0.00 C ATOM 1053 SG CYS A 63 -8.868 -7.029 4.539 1.00 0.00 S ATOM 0 H CYS A 63 -5.086 -5.728 5.978 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.346 -4.536 4.908 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.480 -6.872 4.528 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.086 -7.320 6.110 1.00 0.00 H new ATOM 0 HG CYS A 63 -9.159 -6.134 3.642 1.00 0.00 H new ATOM 1059 N ALA A 64 -7.574 -5.082 8.107 1.00 0.00 N ATOM 1060 CA ALA A 64 -8.389 -4.847 9.292 1.00 0.00 C ATOM 1061 C ALA A 64 -8.648 -3.357 9.494 1.00 0.00 C ATOM 1062 O ALA A 64 -9.797 -2.917 9.533 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.717 -5.438 10.522 1.00 0.00 C ATOM 0 H ALA A 64 -6.615 -5.369 8.305 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.350 -5.340 9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.338 -5.255 11.399 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.589 -6.512 10.386 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.742 -4.972 10.663 1.00 0.00 H new ATOM 1069 N MET A 65 -7.574 -2.587 9.622 1.00 0.00 N ATOM 1070 CA MET A 65 -7.685 -1.146 9.820 1.00 0.00 C ATOM 1071 C MET A 65 -8.342 -0.482 8.613 1.00 0.00 C ATOM 1072 O MET A 65 -9.055 0.513 8.754 1.00 0.00 O ATOM 1073 CB MET A 65 -6.304 -0.534 10.063 1.00 0.00 C ATOM 1074 CG MET A 65 -5.473 -0.385 8.800 1.00 0.00 C ATOM 1075 SD MET A 65 -3.853 0.341 9.114 1.00 0.00 S ATOM 1076 CE MET A 65 -2.978 -1.066 9.793 1.00 0.00 C ATOM 0 H MET A 65 -6.616 -2.936 9.592 1.00 0.00 H new ATOM 0 HA MET A 65 -8.310 -0.972 10.696 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.426 0.446 10.525 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.760 -1.156 10.774 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.344 -1.363 8.337 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.013 0.237 8.086 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.461 -0.767 10.705 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.688 -1.860 10.022 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.251 -1.428 9.066 1.00 0.00 H new ATOM 1086 N ILE A 66 -8.098 -1.037 7.432 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.667 -0.498 6.202 1.00 0.00 C ATOM 1088 C ILE A 66 -10.163 -0.780 6.119 1.00 0.00 C ATOM 1089 O ILE A 66 -10.957 0.112 5.823 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.976 -1.084 4.958 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.861 -0.151 4.479 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.991 -1.318 3.848 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.822 0.142 5.538 1.00 0.00 C ATOM 0 H ILE A 66 -7.510 -1.860 7.300 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.503 0.579 6.224 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.532 -2.043 5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.371 -0.598 3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.302 0.788 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.487 -1.733 2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.753 -2.017 4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.461 -0.372 3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.063 0.809 5.129 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.300 0.618 6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.353 -0.789 5.855 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.540 -2.026 6.385 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.942 -2.426 6.341 1.00 0.00 C ATOM 1107 C GLU A 67 -12.769 -1.616 7.335 1.00 0.00 C ATOM 1108 O GLU A 67 -13.837 -1.104 6.999 1.00 0.00 O ATOM 1109 CB GLU A 67 -12.079 -3.920 6.644 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.844 -4.809 5.435 1.00 0.00 C ATOM 1111 CD GLU A 67 -11.847 -6.284 5.788 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -11.639 -6.612 6.974 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -12.058 -7.111 4.876 1.00 0.00 O ATOM 0 H GLU A 67 -9.895 -2.776 6.633 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.318 -2.231 5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.370 -4.190 7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.077 -4.112 7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.616 -4.616 4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.889 -4.550 4.978 1.00 0.00 H new ATOM 1120 N GLY A 68 -12.269 -1.505 8.561 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.974 -0.757 9.586 1.00 0.00 C ATOM 1122 C GLY A 68 -13.006 0.731 9.299 1.00 0.00 C ATOM 1123 O GLY A 68 -14.062 1.359 9.364 1.00 0.00 O ATOM 0 H GLY A 68 -11.388 -1.920 8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.995 -1.130 9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.495 -0.928 10.550 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.846 1.296 8.982 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.745 2.720 8.684 1.00 0.00 C ATOM 1129 C ALA A 69 -12.595 3.088 7.472 1.00 0.00 C ATOM 1130 O ALA A 69 -13.449 3.970 7.546 1.00 0.00 O ATOM 1131 CB ALA A 69 -10.293 3.109 8.451 1.00 0.00 C ATOM 0 H ALA A 69 -10.962 0.790 8.925 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.124 3.274 9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.233 4.175 8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.710 2.891 9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.894 2.541 7.611 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.353 2.406 6.356 1.00 0.00 N ATOM 1138 CA GLN A 70 -13.095 2.664 5.128 1.00 0.00 C ATOM 1139 C GLN A 70 -14.592 2.474 5.347 1.00 0.00 C ATOM 1140 O GLN A 70 -15.398 3.326 4.975 1.00 0.00 O ATOM 1141 CB GLN A 70 -12.609 1.739 4.010 1.00 0.00 C ATOM 1142 CG GLN A 70 -12.812 2.310 2.617 1.00 0.00 C ATOM 1143 CD GLN A 70 -14.191 2.016 2.060 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -14.900 2.920 1.615 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -14.579 0.747 2.080 1.00 0.00 N ATOM 0 H GLN A 70 -11.650 1.672 6.278 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.918 3.699 4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.549 1.530 4.157 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.134 0.787 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.658 3.389 2.645 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.058 1.898 1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.960 0.030 2.458 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.497 0.489 1.717 1.00 0.00 H new ATOM 1154 N GLY A 71 -14.959 1.348 5.953 1.00 0.00 N ATOM 1155 CA GLY A 71 -16.359 1.066 6.210 1.00 0.00 C ATOM 1156 C GLY A 71 -17.044 2.181 6.973 1.00 0.00 C ATOM 1157 O GLY A 71 -18.092 2.674 6.558 1.00 0.00 O ATOM 0 H GLY A 71 -14.311 0.627 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.874 0.908 5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.442 0.138 6.776 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.452 2.580 8.095 1.00 0.00 N ATOM 1162 CA ALA A 72 -17.012 3.646 8.916 1.00 0.00 C ATOM 1163 C ALA A 72 -16.989 4.979 8.179 1.00 0.00 C ATOM 1164 O ALA A 72 -18.011 5.658 8.068 1.00 0.00 O ATOM 1165 CB ALA A 72 -16.251 3.753 10.230 1.00 0.00 C ATOM 0 H ALA A 72 -15.585 2.181 8.455 1.00 0.00 H new ATOM 0 HA ALA A 72 -18.052 3.399 9.129 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.679 4.553 10.834 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.325 2.810 10.771 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.203 3.973 10.027 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.817 5.352 7.676 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.660 6.606 6.948 1.00 0.00 C ATOM 1173 C LEU A 73 -16.696 6.722 5.834 1.00 0.00 C ATOM 1174 O LEU A 73 -17.450 7.692 5.774 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.250 6.706 6.362 1.00 0.00 C ATOM 1176 CG LEU A 73 -14.023 7.828 5.349 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -12.736 8.577 5.661 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -13.987 7.271 3.934 1.00 0.00 C ATOM 0 H LEU A 73 -14.961 4.803 7.759 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.814 7.426 7.649 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.545 6.837 7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.009 5.757 5.883 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.855 8.529 5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.591 9.372 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.800 9.010 6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.894 7.887 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.825 8.084 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.176 6.548 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.935 6.781 3.712 1.00 0.00 H new ATOM 1190 N GLU A 74 -16.726 5.726 4.954 1.00 0.00 N ATOM 1191 CA GLU A 74 -17.671 5.716 3.843 1.00 0.00 C ATOM 1192 C GLU A 74 -19.105 5.841 4.348 1.00 0.00 C ATOM 1193 O GLU A 74 -19.876 6.668 3.861 1.00 0.00 O ATOM 1194 CB GLU A 74 -17.515 4.434 3.024 1.00 0.00 C ATOM 1195 CG GLU A 74 -17.823 4.614 1.547 1.00 0.00 C ATOM 1196 CD GLU A 74 -19.055 3.845 1.110 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -20.067 3.879 1.841 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -19.008 3.211 0.035 1.00 0.00 O ATOM 0 H GLU A 74 -16.107 4.916 4.989 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.454 6.573 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -16.495 4.066 3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.175 3.669 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.967 5.674 1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.966 4.285 0.958 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.456 5.013 5.327 1.00 0.00 N ATOM 1206 CA ARG A 75 -20.798 5.029 5.897 1.00 0.00 C ATOM 1207 C ARG A 75 -21.110 6.390 6.514 1.00 0.00 C ATOM 1208 O ARG A 75 -22.270 6.794 6.592 1.00 0.00 O ATOM 1209 CB ARG A 75 -20.939 3.933 6.955 1.00 0.00 C ATOM 1210 CG ARG A 75 -21.044 2.534 6.372 1.00 0.00 C ATOM 1211 CD ARG A 75 -22.467 2.218 5.936 1.00 0.00 C ATOM 1212 NE ARG A 75 -23.408 2.287 7.051 1.00 0.00 N ATOM 1213 CZ ARG A 75 -24.670 1.878 6.973 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -25.138 1.374 5.839 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -25.465 1.972 8.030 1.00 0.00 N ATOM 0 H ARG A 75 -18.830 4.323 5.742 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.510 4.842 5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.081 3.975 7.626 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.825 4.134 7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -20.372 2.443 5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -20.719 1.804 7.113 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -22.773 2.919 5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -22.499 1.221 5.496 1.00 0.00 H new ATOM 0 HE ARG A 75 -23.079 2.670 7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -24.529 1.300 5.024 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -26.107 1.061 5.782 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -25.108 2.358 8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -26.434 1.658 7.969 1.00 0.00 H new ATOM 1229 N GLU A 76 -20.068 7.090 6.950 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.233 8.404 7.561 1.00 0.00 C ATOM 1231 C GLU A 76 -20.461 9.473 6.496 1.00 0.00 C ATOM 1232 O GLU A 76 -21.446 10.213 6.545 1.00 0.00 O ATOM 1233 CB GLU A 76 -19.003 8.758 8.400 1.00 0.00 C ATOM 1234 CG GLU A 76 -19.187 10.003 9.252 1.00 0.00 C ATOM 1235 CD GLU A 76 -20.080 9.763 10.453 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -19.562 9.321 11.499 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -21.299 10.016 10.346 1.00 0.00 O ATOM 0 H GLU A 76 -19.101 6.770 6.892 1.00 0.00 H new ATOM 0 HA GLU A 76 -21.108 8.369 8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.761 7.916 9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.151 8.904 7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.212 10.352 9.593 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.614 10.797 8.640 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.546 9.550 5.537 1.00 0.00 N ATOM 1245 CA LEU A 77 -19.647 10.530 4.461 1.00 0.00 C ATOM 1246 C LEU A 77 -20.890 10.282 3.613 1.00 0.00 C ATOM 1247 O LEU A 77 -21.483 11.216 3.074 1.00 0.00 O ATOM 1248 CB LEU A 77 -18.396 10.479 3.580 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.000 9.098 3.057 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -18.669 8.821 1.719 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -16.488 8.989 2.932 1.00 0.00 C ATOM 0 H LEU A 77 -18.726 8.946 5.482 1.00 0.00 H new ATOM 0 HA LEU A 77 -19.728 11.520 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -18.550 11.138 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.559 10.884 4.148 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.341 8.349 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.375 7.834 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -19.752 8.856 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.360 9.575 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.224 8.000 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.125 9.747 2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.030 9.142 3.909 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.281 9.017 3.502 1.00 0.00 N ATOM 1264 CA LYS A 78 -22.457 8.645 2.723 1.00 0.00 C ATOM 1265 C LYS A 78 -23.715 9.285 3.298 1.00 0.00 C ATOM 1266 O LYS A 78 -24.746 9.363 2.630 1.00 0.00 O ATOM 1267 CB LYS A 78 -22.613 7.123 2.693 1.00 0.00 C ATOM 1268 CG LYS A 78 -21.763 6.445 1.632 1.00 0.00 C ATOM 1269 CD LYS A 78 -22.242 6.786 0.232 1.00 0.00 C ATOM 1270 CE LYS A 78 -23.658 6.287 -0.010 1.00 0.00 C ATOM 1271 NZ LYS A 78 -23.726 5.348 -1.164 1.00 0.00 N ATOM 0 H LYS A 78 -20.801 8.232 3.942 1.00 0.00 H new ATOM 0 HA LYS A 78 -22.319 9.010 1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.349 6.720 3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -23.661 6.877 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -20.723 6.752 1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -21.794 5.365 1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -22.206 7.866 0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -21.569 6.343 -0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -24.025 5.788 0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -24.316 7.136 -0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -24.708 5.031 -1.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -23.400 5.832 -2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -23.118 4.525 -0.978 1.00 0.00 H new ATOM 1354 N ASN A 83 -25.199 15.611 -4.463 1.00 0.00 N ATOM 1355 CA ASN A 83 -24.426 16.632 -5.161 1.00 0.00 C ATOM 1356 C ASN A 83 -23.664 16.027 -6.337 1.00 0.00 C ATOM 1357 O ASN A 83 -23.220 14.880 -6.278 1.00 0.00 O ATOM 1358 CB ASN A 83 -23.449 17.309 -4.199 1.00 0.00 C ATOM 1359 CG ASN A 83 -23.692 18.802 -4.082 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -24.199 19.280 -3.068 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -23.332 19.543 -5.122 1.00 0.00 N ATOM 0 HA ASN A 83 -25.121 17.379 -5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.538 16.851 -3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -22.428 17.136 -4.540 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -23.472 20.553 -5.101 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -22.915 19.103 -5.942 1.00 0.00 H new ATOM 1368 N ILE A 84 -23.517 16.807 -7.403 1.00 0.00 N ATOM 1369 CA ILE A 84 -22.806 16.349 -8.591 1.00 0.00 C ATOM 1370 C ILE A 84 -21.362 15.986 -8.263 1.00 0.00 C ATOM 1371 O ILE A 84 -20.925 14.859 -8.497 1.00 0.00 O ATOM 1372 CB ILE A 84 -22.816 17.418 -9.699 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -24.254 17.784 -10.072 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -22.056 16.922 -10.920 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -25.046 16.625 -10.638 1.00 0.00 C ATOM 0 H ILE A 84 -23.880 17.758 -7.469 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.328 15.461 -8.948 1.00 0.00 H new ATOM 0 HB ILE A 84 -22.319 18.313 -9.325 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -24.764 18.165 -9.187 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -24.237 18.593 -10.803 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -22.072 17.689 -11.695 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -21.024 16.707 -10.643 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -22.527 16.015 -11.298 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -26.055 16.958 -10.880 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -24.559 16.258 -11.541 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -25.095 15.823 -9.901 1.00 0.00 H new ATOM 1387 N LEU A 85 -20.625 16.948 -7.717 1.00 0.00 N ATOM 1388 CA LEU A 85 -19.230 16.730 -7.353 1.00 0.00 C ATOM 1389 C LEU A 85 -19.108 15.642 -6.291 1.00 0.00 C ATOM 1390 O LEU A 85 -18.322 14.706 -6.436 1.00 0.00 O ATOM 1391 CB LEU A 85 -18.606 18.030 -6.843 1.00 0.00 C ATOM 1392 CG LEU A 85 -17.141 18.261 -7.213 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -16.260 17.176 -6.612 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -16.974 18.311 -8.725 1.00 0.00 C ATOM 0 H LEU A 85 -20.971 17.886 -7.517 1.00 0.00 H new ATOM 0 HA LEU A 85 -18.694 16.403 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -19.193 18.866 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.693 18.050 -5.757 1.00 0.00 H new ATOM 0 HG LEU A 85 -16.830 19.221 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.221 17.358 -6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.356 17.189 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -16.571 16.203 -6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.925 18.476 -8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -17.304 17.367 -9.159 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -17.574 19.126 -9.131 1.00 0.00 H new ATOM 1406 N GLU A 86 -19.892 15.772 -5.226 1.00 0.00 N ATOM 1407 CA GLU A 86 -19.870 14.798 -4.140 1.00 0.00 C ATOM 1408 C GLU A 86 -20.139 13.391 -4.666 1.00 0.00 C ATOM 1409 O GLU A 86 -19.471 12.433 -4.277 1.00 0.00 O ATOM 1410 CB GLU A 86 -20.908 15.164 -3.078 1.00 0.00 C ATOM 1411 CG GLU A 86 -20.685 16.532 -2.454 1.00 0.00 C ATOM 1412 CD GLU A 86 -21.736 16.879 -1.417 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -22.254 15.950 -0.761 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -22.040 18.081 -1.262 1.00 0.00 O ATOM 0 H GLU A 86 -20.549 16.540 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.877 14.815 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -21.901 15.137 -3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -20.893 14.409 -2.292 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.699 16.559 -1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -20.689 17.290 -3.238 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.123 13.275 -5.552 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.482 11.985 -6.130 1.00 0.00 C ATOM 1423 C ARG A 87 -20.312 11.395 -6.911 1.00 0.00 C ATOM 1424 O ARG A 87 -19.976 10.221 -6.755 1.00 0.00 O ATOM 1425 CB ARG A 87 -22.698 12.134 -7.047 1.00 0.00 C ATOM 1426 CG ARG A 87 -24.026 12.097 -6.306 1.00 0.00 C ATOM 1427 CD ARG A 87 -24.360 10.691 -5.832 1.00 0.00 C ATOM 1428 NE ARG A 87 -24.613 9.784 -6.949 1.00 0.00 N ATOM 1429 CZ ARG A 87 -24.957 8.509 -6.795 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -25.089 7.996 -5.580 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -25.170 7.746 -7.860 1.00 0.00 N ATOM 0 H ARG A 87 -21.686 14.058 -5.885 1.00 0.00 H new ATOM 0 HA ARG A 87 -21.731 11.306 -5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -22.620 13.076 -7.590 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -22.683 11.336 -7.789 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -23.985 12.771 -5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -24.819 12.460 -6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -23.536 10.306 -5.231 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -25.237 10.725 -5.186 1.00 0.00 H new ATOM 0 HE ARG A 87 -24.521 10.148 -7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -24.927 8.580 -4.760 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -25.353 7.017 -5.466 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -25.070 8.138 -8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -25.434 6.768 -7.742 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.696 12.218 -7.755 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.564 11.777 -8.563 1.00 0.00 C ATOM 1447 C PHE A 88 -17.448 11.227 -7.681 1.00 0.00 C ATOM 1448 O PHE A 88 -17.011 10.089 -7.852 1.00 0.00 O ATOM 1449 CB PHE A 88 -18.035 12.935 -9.411 1.00 0.00 C ATOM 1450 CG PHE A 88 -16.753 12.617 -10.127 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -16.617 11.437 -10.839 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -15.685 13.498 -10.087 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -15.438 11.141 -11.499 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -14.504 13.208 -10.743 1.00 0.00 C ATOM 1455 CZ PHE A 88 -14.381 12.029 -11.452 1.00 0.00 C ATOM 0 H PHE A 88 -19.961 13.193 -7.897 1.00 0.00 H new ATOM 0 HA PHE A 88 -18.908 10.980 -9.222 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.792 13.213 -10.144 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -17.878 13.802 -8.770 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.441 10.740 -10.879 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -15.776 14.423 -9.536 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.344 10.217 -12.050 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.678 13.902 -10.701 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.460 11.802 -11.969 1.00 0.00 H new ATOM 1465 N ASN A 89 -16.991 12.042 -6.736 1.00 0.00 N ATOM 1466 CA ASN A 89 -15.924 11.638 -5.827 1.00 0.00 C ATOM 1467 C ASN A 89 -16.346 10.429 -4.996 1.00 0.00 C ATOM 1468 O ASN A 89 -15.565 9.499 -4.795 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.546 12.799 -4.904 1.00 0.00 C ATOM 1470 CG ASN A 89 -14.633 13.802 -5.582 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -13.639 14.243 -5.003 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -14.967 14.168 -6.813 1.00 0.00 N ATOM 0 H ASN A 89 -17.343 12.987 -6.580 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.056 11.360 -6.425 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.452 13.304 -4.570 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.054 12.407 -4.014 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -14.391 14.841 -7.319 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -15.800 13.776 -7.253 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.585 10.451 -4.519 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.111 9.358 -3.708 1.00 0.00 C ATOM 1481 C TYR A 90 -18.095 8.047 -4.487 1.00 0.00 C ATOM 1482 O TYR A 90 -17.658 7.016 -3.976 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.535 9.675 -3.250 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.595 10.489 -1.977 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.623 11.441 -1.692 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.622 10.306 -1.059 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.674 12.187 -0.531 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.680 11.048 0.105 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.704 11.987 0.364 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.758 12.728 1.523 1.00 0.00 O ATOM 0 H TYR A 90 -18.244 11.213 -4.679 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.471 9.248 -2.832 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -20.050 10.217 -4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.076 8.741 -3.100 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -17.814 11.600 -2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.388 9.571 -1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -17.911 12.923 -0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.485 10.893 0.808 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.352 12.287 2.166 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.574 8.096 -5.727 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.615 6.911 -6.576 1.00 0.00 C ATOM 1502 C GLU A 91 -17.213 6.344 -6.787 1.00 0.00 C ATOM 1503 O GLU A 91 -16.965 5.166 -6.534 1.00 0.00 O ATOM 1504 CB GLU A 91 -19.249 7.247 -7.927 1.00 0.00 C ATOM 1505 CG GLU A 91 -19.333 6.061 -8.872 1.00 0.00 C ATOM 1506 CD GLU A 91 -19.779 6.456 -10.267 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -21.004 6.526 -10.498 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -18.904 6.694 -11.125 1.00 0.00 O ATOM 0 H GLU A 91 -18.938 8.942 -6.165 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.222 6.157 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.252 7.640 -7.760 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.671 8.040 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -18.358 5.578 -8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.029 5.327 -8.466 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.302 7.193 -7.253 1.00 0.00 N ATOM 1516 CA GLU A 92 -14.927 6.776 -7.499 1.00 0.00 C ATOM 1517 C GLU A 92 -14.278 6.256 -6.220 1.00 0.00 C ATOM 1518 O GLU A 92 -13.672 5.185 -6.209 1.00 0.00 O ATOM 1519 CB GLU A 92 -14.110 7.942 -8.062 1.00 0.00 C ATOM 1520 CG GLU A 92 -12.719 7.542 -8.523 1.00 0.00 C ATOM 1521 CD GLU A 92 -11.760 8.717 -8.571 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -11.815 9.566 -7.656 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -10.956 8.787 -9.524 1.00 0.00 O ATOM 0 H GLU A 92 -16.491 8.172 -7.467 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.945 5.968 -8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.650 8.381 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.023 8.716 -7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.322 6.781 -7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.784 7.090 -9.513 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.410 7.024 -5.142 1.00 0.00 N ATOM 1531 CA ALA A 93 -13.838 6.641 -3.857 1.00 0.00 C ATOM 1532 C ALA A 93 -14.248 5.224 -3.474 1.00 0.00 C ATOM 1533 O ALA A 93 -13.402 4.388 -3.160 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.262 7.626 -2.777 1.00 0.00 C ATOM 0 H ALA A 93 -14.908 7.914 -5.134 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.752 6.664 -3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.828 7.328 -1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -13.913 8.625 -3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.349 7.631 -2.696 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.551 4.962 -3.502 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.073 3.645 -3.156 1.00 0.00 C ATOM 1542 C GLN A 94 -15.585 2.590 -4.143 1.00 0.00 C ATOM 1543 O GLN A 94 -15.343 1.441 -3.772 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.602 3.669 -3.131 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.230 2.293 -2.983 1.00 0.00 C ATOM 1546 CD GLN A 94 -19.744 2.334 -3.030 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.390 2.877 -2.134 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -20.320 1.759 -4.080 1.00 0.00 N ATOM 0 H GLN A 94 -16.264 5.644 -3.761 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.705 3.386 -2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -17.934 4.301 -2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -17.965 4.128 -4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -17.863 1.643 -3.778 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.912 1.852 -2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -19.746 1.320 -4.800 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.336 1.756 -4.166 1.00 0.00 H new ATOM 1557 N THR A 95 -15.442 2.986 -5.404 1.00 0.00 N ATOM 1558 CA THR A 95 -14.986 2.075 -6.446 1.00 0.00 C ATOM 1559 C THR A 95 -13.602 1.522 -6.123 1.00 0.00 C ATOM 1560 O THR A 95 -13.389 0.308 -6.136 1.00 0.00 O ATOM 1561 CB THR A 95 -14.941 2.770 -7.819 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.240 3.267 -8.161 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.462 1.808 -8.897 1.00 0.00 C ATOM 0 H THR A 95 -15.636 3.933 -5.728 1.00 0.00 H new ATOM 0 HA THR A 95 -15.703 1.255 -6.486 1.00 0.00 H new ATOM 0 HB THR A 95 -14.239 3.602 -7.757 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.345 4.176 -7.810 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.438 2.321 -9.858 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.461 1.454 -8.650 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.143 0.959 -8.956 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.664 2.417 -5.834 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.300 2.017 -5.507 1.00 0.00 C ATOM 1573 C LEU A 96 -11.258 1.244 -4.193 1.00 0.00 C ATOM 1574 O LEU A 96 -10.554 0.241 -4.073 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.395 3.247 -5.417 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.105 3.965 -6.736 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.280 5.220 -6.490 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.390 3.035 -7.704 1.00 0.00 C ATOM 0 H LEU A 96 -12.823 3.424 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 96 -10.939 1.364 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.852 3.960 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.446 2.943 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.054 4.261 -7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.083 5.718 -7.439 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.830 5.894 -5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.335 4.948 -6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.192 3.563 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.447 2.708 -7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.017 2.167 -7.905 1.00 0.00 H new ATOM 1590 N SER A 97 -12.021 1.715 -3.212 1.00 0.00 N ATOM 1591 CA SER A 97 -12.070 1.070 -1.905 1.00 0.00 C ATOM 1592 C SER A 97 -12.588 -0.360 -2.026 1.00 0.00 C ATOM 1593 O SER A 97 -12.013 -1.291 -1.461 1.00 0.00 O ATOM 1594 CB SER A 97 -12.961 1.868 -0.951 1.00 0.00 C ATOM 1595 OG SER A 97 -14.332 1.682 -1.258 1.00 0.00 O ATOM 0 H SER A 97 -12.614 2.541 -3.297 1.00 0.00 H new ATOM 0 HA SER A 97 -11.057 1.040 -1.504 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.770 1.557 0.076 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.711 2.927 -1.015 1.00 0.00 H new ATOM 0 HG SER A 97 -14.453 1.689 -2.230 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.678 -0.528 -2.767 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.275 -1.843 -2.964 1.00 0.00 C ATOM 1603 C LYS A 98 -13.303 -2.781 -3.673 1.00 0.00 C ATOM 1604 O LYS A 98 -13.067 -3.902 -3.222 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.567 -1.724 -3.775 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.825 -1.772 -2.925 1.00 0.00 C ATOM 1607 CD LYS A 98 -16.815 -0.698 -1.851 1.00 0.00 C ATOM 1608 CE LYS A 98 -18.111 -0.693 -1.054 1.00 0.00 C ATOM 1609 NZ LYS A 98 -19.296 -0.457 -1.924 1.00 0.00 N ATOM 0 H LYS A 98 -14.166 0.231 -3.241 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.506 -2.259 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.551 -0.788 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.602 -2.531 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.700 -1.643 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.912 -2.753 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.974 -0.863 -1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -16.667 0.278 -2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -18.224 -1.646 -0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.063 0.081 -0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.881 0.300 -1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.979 -0.176 -2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -19.857 -1.330 -1.990 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.741 -2.314 -4.782 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.793 -3.111 -5.552 1.00 0.00 C ATOM 1625 C ILE A 99 -10.618 -3.554 -4.686 1.00 0.00 C ATOM 1626 O ILE A 99 -10.193 -4.709 -4.740 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.256 -2.329 -6.765 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.403 -1.951 -7.704 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.210 -3.152 -7.504 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -12.124 -0.716 -8.531 1.00 0.00 C ATOM 0 H ILE A 99 -12.925 -1.388 -5.168 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.332 -3.990 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.786 -1.413 -6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.606 -2.788 -8.372 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.305 -1.788 -7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.840 -2.586 -8.359 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.382 -3.377 -6.831 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.658 -4.083 -7.851 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.980 -0.507 -9.173 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.951 0.133 -7.870 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.240 -0.883 -9.147 1.00 0.00 H new ATOM 1642 N LEU A 100 -10.098 -2.629 -3.886 1.00 0.00 N ATOM 1643 CA LEU A 100 -8.973 -2.924 -3.005 1.00 0.00 C ATOM 1644 C LEU A 100 -9.338 -4.011 -2.000 1.00 0.00 C ATOM 1645 O LEU A 100 -8.592 -4.974 -1.810 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.531 -1.659 -2.268 1.00 0.00 C ATOM 1647 CG LEU A 100 -7.161 -1.101 -2.653 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -6.086 -2.164 -2.490 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -7.182 -0.576 -4.081 1.00 0.00 C ATOM 0 H LEU A 100 -10.437 -1.669 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.148 -3.286 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.278 -0.884 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.528 -1.868 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.927 -0.272 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.118 -1.748 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.054 -2.493 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.314 -3.014 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.199 -0.182 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.438 -1.387 -4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.924 0.218 -4.166 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.492 -3.854 -1.359 1.00 0.00 N ATOM 1662 CA LEU A 101 -10.959 -4.823 -0.375 1.00 0.00 C ATOM 1663 C LEU A 101 -11.029 -6.222 -0.977 1.00 0.00 C ATOM 1664 O LEU A 101 -10.599 -7.198 -0.363 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.333 -4.415 0.160 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.355 -3.218 1.110 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -13.783 -2.884 1.515 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -11.503 -3.497 2.340 1.00 0.00 C ATOM 0 H LEU A 101 -11.121 -3.064 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.245 -4.839 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.979 -4.192 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.769 -5.271 0.676 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.935 -2.358 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -13.779 -2.029 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -14.366 -2.641 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -14.229 -3.742 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.530 -2.634 3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -11.893 -4.370 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.474 -3.687 2.034 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.573 -6.313 -2.187 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.697 -7.591 -2.877 1.00 0.00 C ATOM 1682 C LYS A 102 -10.326 -8.213 -3.122 1.00 0.00 C ATOM 1683 O LYS A 102 -10.089 -9.369 -2.772 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.430 -7.406 -4.208 1.00 0.00 C ATOM 1685 CG LYS A 102 -13.939 -7.321 -4.065 1.00 0.00 C ATOM 1686 CD LYS A 102 -14.619 -7.159 -5.414 1.00 0.00 C ATOM 1687 CE LYS A 102 -14.202 -5.866 -6.096 1.00 0.00 C ATOM 1688 NZ LYS A 102 -15.241 -5.380 -7.047 1.00 0.00 N ATOM 0 H LYS A 102 -11.935 -5.515 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.273 -8.264 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -12.067 -6.498 -4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.182 -8.237 -4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.310 -8.221 -3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.198 -6.479 -3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -14.369 -8.006 -6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -15.701 -7.169 -5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.014 -5.102 -5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.265 -6.023 -6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.919 -4.497 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -15.402 -6.098 -7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -16.128 -5.205 -6.533 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.429 -7.439 -3.722 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.081 -7.914 -4.010 1.00 0.00 C ATOM 1704 C ASP A 103 -7.390 -8.395 -2.738 1.00 0.00 C ATOM 1705 O ASP A 103 -6.737 -9.440 -2.731 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.255 -6.804 -4.664 1.00 0.00 C ATOM 1707 CG ASP A 103 -6.207 -7.347 -5.615 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -5.627 -8.410 -5.314 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -5.966 -6.706 -6.661 1.00 0.00 O ATOM 0 H ASP A 103 -9.611 -6.480 -4.018 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.159 -8.754 -4.700 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.920 -6.132 -5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.767 -6.213 -3.889 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.538 -7.628 -1.664 1.00 0.00 N ATOM 1715 CA LEU A 104 -6.928 -7.976 -0.385 1.00 0.00 C ATOM 1716 C LEU A 104 -7.450 -9.317 0.121 1.00 0.00 C ATOM 1717 O LEU A 104 -6.678 -10.179 0.540 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.206 -6.884 0.649 1.00 0.00 C ATOM 1719 CG LEU A 104 -5.998 -6.389 1.444 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -4.921 -5.864 0.507 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -6.416 -5.312 2.435 1.00 0.00 C ATOM 0 H LEU A 104 -8.075 -6.761 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.852 -8.060 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.652 -6.032 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.950 -7.258 1.352 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.587 -7.229 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.069 -5.516 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.600 -6.662 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.321 -5.037 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.543 -4.972 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.853 -4.471 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.152 -5.721 3.128 1.00 0.00 H new ATOM 1733 N LYS A 105 -8.768 -9.486 0.077 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.396 -10.723 0.527 1.00 0.00 C ATOM 1735 C LYS A 105 -8.838 -11.924 -0.231 1.00 0.00 C ATOM 1736 O LYS A 105 -8.398 -12.901 0.374 1.00 0.00 O ATOM 1737 CB LYS A 105 -10.913 -10.647 0.339 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.700 -11.125 1.547 1.00 0.00 C ATOM 1739 CD LYS A 105 -12.979 -10.325 1.731 1.00 0.00 C ATOM 1740 CE LYS A 105 -13.801 -10.848 2.899 1.00 0.00 C ATOM 1741 NZ LYS A 105 -14.318 -12.221 2.642 1.00 0.00 N ATOM 0 H LYS A 105 -9.422 -8.782 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.174 -10.849 1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.192 -9.617 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.194 -11.246 -0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.944 -12.181 1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.084 -11.038 2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.733 -9.277 1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.572 -10.371 0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.189 -10.853 3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.637 -10.174 3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.032 -12.463 3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.750 -12.258 1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.534 -12.902 2.691 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.858 -11.841 -1.557 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.354 -12.922 -2.396 1.00 0.00 C ATOM 1757 C GLU A 106 -6.914 -13.269 -2.030 1.00 0.00 C ATOM 1758 O GLU A 106 -6.584 -14.430 -1.788 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.436 -12.531 -3.874 1.00 0.00 C ATOM 1760 CG GLU A 106 -8.347 -13.715 -4.823 1.00 0.00 C ATOM 1761 CD GLU A 106 -8.958 -13.422 -6.179 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -8.272 -12.803 -7.019 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -10.123 -13.814 -6.401 1.00 0.00 O ATOM 0 H GLU A 106 -9.217 -11.038 -2.073 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.976 -13.801 -2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.374 -12.005 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.631 -11.832 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.301 -13.994 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -8.853 -14.572 -4.378 1.00 0.00 H new ATOM 1770 N THR A 107 -6.058 -12.251 -1.992 1.00 0.00 N ATOM 1771 CA THR A 107 -4.653 -12.447 -1.657 1.00 0.00 C ATOM 1772 C THR A 107 -4.502 -13.186 -0.333 1.00 0.00 C ATOM 1773 O THR A 107 -3.710 -14.122 -0.221 1.00 0.00 O ATOM 1774 CB THR A 107 -3.904 -11.104 -1.571 1.00 0.00 C ATOM 1775 OG1 THR A 107 -3.989 -10.415 -2.824 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.444 -11.322 -1.203 1.00 0.00 C ATOM 0 H THR A 107 -6.314 -11.283 -2.189 1.00 0.00 H new ATOM 0 HA THR A 107 -4.218 -13.047 -2.456 1.00 0.00 H new ATOM 0 HB THR A 107 -4.372 -10.500 -0.793 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.884 -10.030 -2.926 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.935 -10.360 -1.148 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.383 -11.820 -0.236 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.966 -11.942 -1.961 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.265 -12.760 0.669 1.00 0.00 N ATOM 1785 CA GLU A 108 -5.214 -13.383 1.986 1.00 0.00 C ATOM 1786 C GLU A 108 -5.537 -14.871 1.896 1.00 0.00 C ATOM 1787 O GLU A 108 -4.765 -15.712 2.358 1.00 0.00 O ATOM 1788 CB GLU A 108 -6.194 -12.694 2.938 1.00 0.00 C ATOM 1789 CG GLU A 108 -5.744 -12.710 4.390 1.00 0.00 C ATOM 1790 CD GLU A 108 -6.713 -11.992 5.309 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -7.557 -11.226 4.798 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -6.627 -12.194 6.538 1.00 0.00 O ATOM 0 H GLU A 108 -5.925 -11.986 0.594 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.202 -13.271 2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.331 -11.660 2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.166 -13.182 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.633 -13.743 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.762 -12.243 4.467 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.682 -15.188 1.301 1.00 0.00 N ATOM 1800 CA GLN A 109 -7.107 -16.575 1.153 1.00 0.00 C ATOM 1801 C GLN A 109 -6.003 -17.419 0.526 1.00 0.00 C ATOM 1802 O GLN A 109 -5.685 -18.505 1.010 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.374 -16.654 0.298 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.104 -17.982 0.413 1.00 0.00 C ATOM 1805 CD GLN A 109 -8.466 -19.073 -0.424 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -8.165 -20.158 0.073 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -8.257 -18.790 -1.705 1.00 0.00 N ATOM 0 H GLN A 109 -7.332 -14.504 0.914 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.322 -16.971 2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.050 -15.851 0.590 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.109 -16.484 -0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.121 -18.294 1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.141 -17.851 0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -8.522 -17.877 -2.076 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.831 -19.485 -2.318 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.420 -16.913 -0.556 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.350 -17.619 -1.251 1.00 0.00 C ATOM 1818 C LYS A 110 -3.170 -17.871 -0.318 1.00 0.00 C ATOM 1819 O LYS A 110 -2.614 -18.969 -0.287 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.888 -16.816 -2.469 1.00 0.00 C ATOM 1821 CG LYS A 110 -3.333 -17.677 -3.590 1.00 0.00 C ATOM 1822 CD LYS A 110 -4.443 -18.243 -4.460 1.00 0.00 C ATOM 1823 CE LYS A 110 -5.028 -17.181 -5.379 1.00 0.00 C ATOM 1824 NZ LYS A 110 -6.195 -17.695 -6.149 1.00 0.00 N ATOM 0 H LYS A 110 -5.671 -16.016 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.740 -18.581 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.728 -16.235 -2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -3.124 -16.105 -2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.655 -17.084 -4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.748 -18.494 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.054 -19.068 -5.057 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.231 -18.651 -3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.335 -16.318 -4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.260 -16.836 -6.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.565 -16.942 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.897 -18.503 -6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.939 -18.000 -5.489 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.793 -16.849 0.443 1.00 0.00 N ATOM 1839 CA VAL A 111 -1.681 -16.961 1.378 1.00 0.00 C ATOM 1840 C VAL A 111 -1.940 -18.051 2.411 1.00 0.00 C ATOM 1841 O VAL A 111 -1.147 -18.981 2.563 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.424 -15.628 2.108 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -0.270 -15.770 3.088 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -1.151 -14.517 1.106 1.00 0.00 C ATOM 0 H VAL A 111 -3.242 -15.933 0.430 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.800 -17.221 0.792 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.318 -15.364 2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.103 -14.819 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.511 -16.536 3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.632 -16.057 2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.972 -13.583 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.273 -14.770 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.012 -14.400 0.448 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.055 -17.932 3.123 1.00 0.00 N ATOM 1855 CA LYS A 112 -3.422 -18.909 4.142 1.00 0.00 C ATOM 1856 C LYS A 112 -3.654 -20.282 3.521 1.00 0.00 C ATOM 1857 O LYS A 112 -3.558 -21.305 4.201 1.00 0.00 O ATOM 1858 CB LYS A 112 -4.682 -18.453 4.884 1.00 0.00 C ATOM 1859 CG LYS A 112 -5.971 -18.961 4.261 1.00 0.00 C ATOM 1860 CD LYS A 112 -7.110 -17.974 4.456 1.00 0.00 C ATOM 1861 CE LYS A 112 -7.452 -17.801 5.928 1.00 0.00 C ATOM 1862 NZ LYS A 112 -7.669 -19.110 6.604 1.00 0.00 N ATOM 0 H LYS A 112 -3.721 -17.168 3.013 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.597 -18.985 4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -4.629 -18.794 5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.705 -17.364 4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.818 -19.136 3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.238 -19.919 4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.834 -17.010 4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.990 -18.321 3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.646 -17.263 6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.350 -17.190 6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.125 -18.953 7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.280 -19.709 6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.754 -19.583 6.747 1.00 0.00 H new ATOM 1876 N ASP A 113 -3.956 -20.299 2.228 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.198 -21.547 1.515 1.00 0.00 C ATOM 1878 C ASP A 113 -2.897 -22.315 1.306 1.00 0.00 C ATOM 1879 O ASP A 113 -2.819 -23.512 1.582 1.00 0.00 O ATOM 1880 CB ASP A 113 -4.863 -21.269 0.166 1.00 0.00 C ATOM 1881 CG ASP A 113 -4.742 -22.438 -0.791 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -5.581 -23.359 -0.712 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -3.807 -22.432 -1.620 1.00 0.00 O ATOM 0 H ASP A 113 -4.039 -19.462 1.652 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.866 -22.158 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.917 -21.040 0.324 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.409 -20.386 -0.284 1.00 0.00 H new ATOM 1888 N ILE A 114 -1.877 -21.617 0.815 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.579 -22.234 0.570 1.00 0.00 C ATOM 1890 C ILE A 114 -0.019 -22.863 1.841 1.00 0.00 C ATOM 1891 O ILE A 114 0.127 -22.194 2.863 1.00 0.00 O ATOM 1892 CB ILE A 114 0.436 -21.210 0.027 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.307 -21.088 -1.492 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.851 -21.612 0.413 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.413 -19.834 -1.939 1.00 0.00 C ATOM 0 H ILE A 114 -1.925 -20.626 0.580 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.735 -23.012 -0.178 1.00 0.00 H new ATOM 0 HB ILE A 114 0.222 -20.238 0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.303 -21.103 -1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.226 -21.959 -1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.557 -20.879 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.934 -21.653 1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 114 2.078 -22.593 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.468 -19.814 -3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.421 -19.826 -1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.131 -18.957 -1.587 1.00 0.00 H new ATOM 1907 N GLN A 115 0.294 -24.153 1.768 1.00 0.00 N ATOM 1908 CA GLN A 115 0.839 -24.872 2.912 1.00 0.00 C ATOM 1909 C GLN A 115 2.344 -24.655 3.025 1.00 0.00 C ATOM 1910 O GLN A 115 3.068 -24.719 2.032 1.00 0.00 O ATOM 1911 CB GLN A 115 0.535 -26.366 2.794 1.00 0.00 C ATOM 1912 CG GLN A 115 1.090 -27.003 1.530 1.00 0.00 C ATOM 1913 CD GLN A 115 0.136 -28.007 0.915 1.00 0.00 C ATOM 1914 OE1 GLN A 115 -0.466 -27.751 -0.129 1.00 0.00 O ATOM 1915 NE2 GLN A 115 -0.007 -29.160 1.559 1.00 0.00 N ATOM 0 H GLN A 115 0.179 -24.721 0.928 1.00 0.00 H new ATOM 0 HA GLN A 115 0.366 -24.482 3.813 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.947 -26.882 3.661 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.545 -26.511 2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.310 -26.223 0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.033 -27.498 1.761 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.511 -29.330 2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -0.635 -29.875 1.192 1.00 0.00 H new ATOM 1924 N THR A 116 2.810 -24.397 4.243 1.00 0.00 N ATOM 1925 CA THR A 116 4.229 -24.169 4.486 1.00 0.00 C ATOM 1926 C THR A 116 4.648 -24.713 5.847 1.00 0.00 C ATOM 1927 O THR A 116 3.804 -25.049 6.678 1.00 0.00 O ATOM 1928 CB THR A 116 4.576 -22.669 4.418 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.851 -21.951 5.422 1.00 0.00 O ATOM 1930 CG2 THR A 116 4.249 -22.101 3.045 1.00 0.00 C ATOM 0 H THR A 116 2.225 -24.341 5.077 1.00 0.00 H new ATOM 0 HA THR A 116 4.773 -24.697 3.703 1.00 0.00 H new ATOM 0 HB THR A 116 5.646 -22.558 4.595 1.00 0.00 H new ATOM 0 HG1 THR A 116 3.230 -21.326 4.993 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.502 -21.041 3.020 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.825 -22.630 2.286 1.00 0.00 H new ATOM 0 HG23 THR A 116 3.185 -22.225 2.844 1.00 0.00 H new ATOM 1938 N GLN A 117 5.957 -24.798 6.068 1.00 0.00 N ATOM 1939 CA GLN A 117 6.487 -25.303 7.329 1.00 0.00 C ATOM 1940 C GLN A 117 7.003 -24.161 8.198 1.00 0.00 C ATOM 1941 O GLN A 117 7.938 -24.335 8.980 1.00 0.00 O ATOM 1942 CB GLN A 117 7.609 -26.308 7.068 1.00 0.00 C ATOM 1943 CG GLN A 117 7.811 -27.301 8.201 1.00 0.00 C ATOM 1944 CD GLN A 117 9.023 -28.188 7.991 1.00 0.00 C ATOM 1945 OE1 GLN A 117 8.996 -29.113 7.178 1.00 0.00 O ATOM 1946 NE2 GLN A 117 10.095 -27.911 8.724 1.00 0.00 N ATOM 0 H GLN A 117 6.669 -24.524 5.391 1.00 0.00 H new ATOM 0 HA GLN A 117 5.678 -25.803 7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.390 -26.855 6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 117 8.540 -25.766 6.901 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.921 -26.758 9.140 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.922 -27.924 8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.074 -27.135 9.386 1.00 0.00 H new ATOM 0 HE22 GLN A 117 10.940 -28.474 8.625 1.00 0.00 H new