USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=12 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 37 GLN : amide:sc= -1.81! C(o=-0.58!,f=1.7!) USER MOD Set 1.2: A 107 THR OG1 : rot -94:sc= 1.23 USER MOD Set 2.1: A 70 GLN : amide:sc= -3.71 K(o=-3.7,f=-5.3!) USER MOD Set 2.2: A 97 SER OG : rot -61:sc=-0.00716 USER MOD Single : A 21 GLN : amide:sc= -0.207 K(o=-0.21,f=-0.8) USER MOD Single : A 23 ASN : amide:sc= -0.481 X(o=-0.48,f=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) 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=-0.008) USER MOD Single : A 32 GLN : amide:sc= -6.6! C(o=-6.6!,f=-9.9!) 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= -0.154 K(o=-0.15,f=-1.9!) USER MOD Single : A 44 ASN : amide:sc= -1.95 K(o=-2,f=-3.4!) USER MOD Single : A 46 ASN : amide:sc= -0.031 K(o=-0.031,f=-1.4) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 150:sc= 0.295 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.17! C(o=-2.2!,f=-3.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.436 USER MOD Single : A 65 MET CE :methyl -158:sc= -1.16 (180deg=-1.84!) USER MOD Single : A 78 LYS NZ :NH3+ -155:sc= -0.172 (180deg=-0.765) USER MOD Single : A 83 ASN : amide:sc= -0.475 X(o=-0.48,f=-0.075) USER MOD Single : A 89 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.4!) USER MOD Single : A 90 TYR OH : rot -171:sc= 0.0265 USER MOD Single : A 94 GLN : amide:sc= -0.0582 K(o=-0.058,f=0.63) USER MOD Single : A 95 THR OG1 : rot 68:sc= 1.2 USER MOD Single : A 98 LYS NZ :NH3+ -120:sc= -0.0347 (180deg=-0.734) 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 109 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.1) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 147:sc= -0.34 (180deg=-1.64) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot -140:sc= -0.626 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 295 N LEU A 18 -14.128 14.133 4.146 1.00 0.00 N ATOM 296 CA LEU A 18 -14.520 12.744 3.944 1.00 0.00 C ATOM 297 C LEU A 18 -13.748 12.123 2.784 1.00 0.00 C ATOM 298 O LEU A 18 -12.972 11.186 2.973 1.00 0.00 O ATOM 299 CB LEU A 18 -16.024 12.652 3.677 1.00 0.00 C ATOM 300 CG LEU A 18 -16.933 13.265 4.743 1.00 0.00 C ATOM 301 CD1 LEU A 18 -16.262 13.221 6.107 1.00 0.00 C ATOM 302 CD2 LEU A 18 -17.301 14.694 4.372 1.00 0.00 C ATOM 0 HA LEU A 18 -14.283 12.190 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.234 13.139 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.289 11.601 3.563 1.00 0.00 H new ATOM 0 HG LEU A 18 -17.849 12.677 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -16.924 13.662 6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.051 12.186 6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -15.329 13.784 6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.948 15.115 5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.395 15.294 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -17.824 14.698 3.416 1.00 0.00 H new ATOM 314 N ILE A 19 -13.965 12.653 1.585 1.00 0.00 N ATOM 315 CA ILE A 19 -13.286 12.153 0.396 1.00 0.00 C ATOM 316 C ILE A 19 -11.774 12.133 0.593 1.00 0.00 C ATOM 317 O ILE A 19 -11.089 11.228 0.119 1.00 0.00 O ATOM 318 CB ILE A 19 -13.620 13.005 -0.843 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.106 12.882 -1.188 1.00 0.00 C ATOM 320 CG2 ILE A 19 -12.759 12.582 -2.025 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.519 11.483 -1.587 1.00 0.00 C ATOM 0 H ILE A 19 -14.605 13.428 1.411 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.642 11.136 0.234 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.404 14.049 -0.617 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.698 13.196 -0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.340 13.568 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.007 13.193 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.707 12.716 -1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.946 11.533 -2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.584 11.470 -1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.954 11.173 -2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.317 10.796 -0.765 1.00 0.00 H new ATOM 333 N GLU A 20 -11.261 13.138 1.296 1.00 0.00 N ATOM 334 CA GLU A 20 -9.830 13.235 1.557 1.00 0.00 C ATOM 335 C GLU A 20 -9.319 11.983 2.264 1.00 0.00 C ATOM 336 O GLU A 20 -8.371 11.344 1.808 1.00 0.00 O ATOM 337 CB GLU A 20 -9.526 14.472 2.405 1.00 0.00 C ATOM 338 CG GLU A 20 -10.192 15.738 1.895 1.00 0.00 C ATOM 339 CD GLU A 20 -10.038 15.916 0.396 1.00 0.00 C ATOM 340 OE1 GLU A 20 -8.958 16.368 -0.038 1.00 0.00 O ATOM 341 OE2 GLU A 20 -10.996 15.603 -0.341 1.00 0.00 O ATOM 0 H GLU A 20 -11.815 13.896 1.695 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.318 13.325 0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.850 14.288 3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.447 14.626 2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.252 15.713 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.763 16.600 2.405 1.00 0.00 H new ATOM 348 N GLN A 21 -9.955 11.639 3.379 1.00 0.00 N ATOM 349 CA GLN A 21 -9.565 10.464 4.150 1.00 0.00 C ATOM 350 C GLN A 21 -9.759 9.190 3.335 1.00 0.00 C ATOM 351 O GLN A 21 -8.941 8.273 3.394 1.00 0.00 O ATOM 352 CB GLN A 21 -10.375 10.385 5.445 1.00 0.00 C ATOM 353 CG GLN A 21 -10.071 11.509 6.422 1.00 0.00 C ATOM 354 CD GLN A 21 -8.665 11.432 6.982 1.00 0.00 C ATOM 355 OE1 GLN A 21 -7.699 11.815 6.322 1.00 0.00 O ATOM 356 NE2 GLN A 21 -8.543 10.935 8.207 1.00 0.00 N ATOM 0 H GLN A 21 -10.742 12.157 3.769 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.508 10.557 4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.437 10.404 5.201 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.177 9.429 5.930 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.206 12.467 5.921 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.787 11.475 7.243 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.371 10.629 8.718 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.621 10.859 8.637 1.00 0.00 H new ATOM 365 N ALA A 22 -10.850 9.139 2.576 1.00 0.00 N ATOM 366 CA ALA A 22 -11.152 7.978 1.749 1.00 0.00 C ATOM 367 C ALA A 22 -10.088 7.778 0.674 1.00 0.00 C ATOM 368 O ALA A 22 -9.644 6.657 0.429 1.00 0.00 O ATOM 369 CB ALA A 22 -12.526 8.126 1.113 1.00 0.00 C ATOM 0 H ALA A 22 -11.539 9.889 2.517 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.154 7.097 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.738 7.251 0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.281 8.212 1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.544 9.021 0.490 1.00 0.00 H new ATOM 375 N ASN A 23 -9.685 8.872 0.036 1.00 0.00 N ATOM 376 CA ASN A 23 -8.675 8.816 -1.013 1.00 0.00 C ATOM 377 C ASN A 23 -7.328 8.375 -0.448 1.00 0.00 C ATOM 378 O ASN A 23 -6.612 7.585 -1.066 1.00 0.00 O ATOM 379 CB ASN A 23 -8.535 10.183 -1.688 1.00 0.00 C ATOM 380 CG ASN A 23 -9.137 10.204 -3.079 1.00 0.00 C ATOM 381 OD1 ASN A 23 -8.490 9.823 -4.055 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.383 10.653 -3.178 1.00 0.00 N ATOM 0 H ASN A 23 -10.043 9.808 0.228 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.996 8.083 -1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.021 10.940 -1.073 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.480 10.450 -1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.840 10.692 -4.089 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.883 10.959 -2.343 1.00 0.00 H new ATOM 389 N HIS A 24 -6.988 8.889 0.729 1.00 0.00 N ATOM 390 CA HIS A 24 -5.728 8.547 1.378 1.00 0.00 C ATOM 391 C HIS A 24 -5.696 7.069 1.758 1.00 0.00 C ATOM 392 O HIS A 24 -4.682 6.395 1.583 1.00 0.00 O ATOM 393 CB HIS A 24 -5.521 9.410 2.624 1.00 0.00 C ATOM 394 CG HIS A 24 -4.080 9.618 2.975 1.00 0.00 C ATOM 395 ND1 HIS A 24 -3.516 9.154 4.145 1.00 0.00 N ATOM 396 CD2 HIS A 24 -3.085 10.242 2.302 1.00 0.00 C ATOM 397 CE1 HIS A 24 -2.237 9.486 4.177 1.00 0.00 C ATOM 398 NE2 HIS A 24 -1.950 10.147 3.069 1.00 0.00 N ATOM 0 H HIS A 24 -7.568 9.544 1.253 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.920 8.741 0.672 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.992 10.380 2.466 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.028 8.943 3.468 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.168 10.725 1.340 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.544 9.256 4.973 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -1.035 10.525 2.824 1.00 0.00 H new ATOM 406 N ALA A 25 -6.813 6.573 2.281 1.00 0.00 N ATOM 407 CA ALA A 25 -6.913 5.176 2.684 1.00 0.00 C ATOM 408 C ALA A 25 -6.782 4.247 1.482 1.00 0.00 C ATOM 409 O ALA A 25 -5.980 3.313 1.492 1.00 0.00 O ATOM 410 CB ALA A 25 -8.229 4.927 3.404 1.00 0.00 C ATOM 0 H ALA A 25 -7.661 7.118 2.435 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.091 4.962 3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.290 3.879 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.283 5.558 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.059 5.165 2.738 1.00 0.00 H new ATOM 416 N ILE A 26 -7.574 4.509 0.449 1.00 0.00 N ATOM 417 CA ILE A 26 -7.545 3.696 -0.761 1.00 0.00 C ATOM 418 C ILE A 26 -6.193 3.796 -1.459 1.00 0.00 C ATOM 419 O ILE A 26 -5.737 2.843 -2.089 1.00 0.00 O ATOM 420 CB ILE A 26 -8.651 4.115 -1.749 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.395 5.534 -2.261 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.016 4.025 -1.083 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.440 6.020 -3.241 1.00 0.00 C ATOM 0 H ILE A 26 -8.244 5.278 0.425 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.717 2.665 -0.451 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.637 3.433 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.359 6.217 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.416 5.568 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.787 4.324 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.197 2.999 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.043 4.687 -0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.195 7.032 -3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.461 5.360 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.418 6.019 -2.760 1.00 0.00 H new ATOM 435 N GLU A 27 -5.555 4.957 -1.340 1.00 0.00 N ATOM 436 CA GLU A 27 -4.254 5.179 -1.958 1.00 0.00 C ATOM 437 C GLU A 27 -3.188 4.297 -1.316 1.00 0.00 C ATOM 438 O GLU A 27 -2.507 3.529 -1.997 1.00 0.00 O ATOM 439 CB GLU A 27 -3.853 6.651 -1.838 1.00 0.00 C ATOM 440 CG GLU A 27 -4.221 7.484 -3.055 1.00 0.00 C ATOM 441 CD GLU A 27 -3.674 8.896 -2.983 1.00 0.00 C ATOM 442 OE1 GLU A 27 -3.104 9.259 -1.933 1.00 0.00 O ATOM 443 OE2 GLU A 27 -3.816 9.639 -3.977 1.00 0.00 O ATOM 0 H GLU A 27 -5.918 5.757 -0.822 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.332 4.915 -3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.332 7.079 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.777 6.714 -1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.841 6.996 -3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.306 7.523 -3.149 1.00 0.00 H new ATOM 450 N LYS A 28 -3.047 4.411 0.000 1.00 0.00 N ATOM 451 CA LYS A 28 -2.066 3.624 0.737 1.00 0.00 C ATOM 452 C LYS A 28 -2.311 2.131 0.546 1.00 0.00 C ATOM 453 O LYS A 28 -1.385 1.369 0.272 1.00 0.00 O ATOM 454 CB LYS A 28 -2.115 3.974 2.225 1.00 0.00 C ATOM 455 CG LYS A 28 -1.098 3.216 3.063 1.00 0.00 C ATOM 456 CD LYS A 28 -1.504 3.169 4.526 1.00 0.00 C ATOM 457 CE LYS A 28 -0.336 2.776 5.416 1.00 0.00 C ATOM 458 NZ LYS A 28 0.098 1.373 5.176 1.00 0.00 N ATOM 0 H LYS A 28 -3.601 5.042 0.579 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.077 3.864 0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.946 5.044 2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.115 3.765 2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.995 2.201 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.122 3.692 2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.883 4.144 4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.318 2.456 4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.501 3.451 5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.621 2.894 6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.896 1.145 5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.693 0.727 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.394 1.266 4.185 1.00 0.00 H new ATOM 472 N GLY A 29 -3.567 1.719 0.691 1.00 0.00 N ATOM 473 CA GLY A 29 -3.912 0.318 0.529 1.00 0.00 C ATOM 474 C GLY A 29 -3.677 -0.177 -0.883 1.00 0.00 C ATOM 475 O GLY A 29 -3.297 -1.329 -1.088 1.00 0.00 O ATOM 0 H GLY A 29 -4.352 2.330 0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.323 -0.281 1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.960 0.172 0.792 1.00 0.00 H new ATOM 479 N GLU A 30 -3.907 0.695 -1.861 1.00 0.00 N ATOM 480 CA GLU A 30 -3.720 0.338 -3.262 1.00 0.00 C ATOM 481 C GLU A 30 -2.241 0.134 -3.580 1.00 0.00 C ATOM 482 O GLU A 30 -1.876 -0.764 -4.339 1.00 0.00 O ATOM 483 CB GLU A 30 -4.304 1.422 -4.170 1.00 0.00 C ATOM 484 CG GLU A 30 -3.993 1.215 -5.643 1.00 0.00 C ATOM 485 CD GLU A 30 -4.813 2.117 -6.544 1.00 0.00 C ATOM 486 OE1 GLU A 30 -4.481 3.318 -6.642 1.00 0.00 O ATOM 487 OE2 GLU A 30 -5.785 1.624 -7.153 1.00 0.00 O ATOM 0 H GLU A 30 -4.223 1.653 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.245 -0.600 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.385 1.452 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.917 2.392 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.933 1.401 -5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.182 0.175 -5.908 1.00 0.00 H new ATOM 494 N HIS A 31 -1.395 0.976 -2.994 1.00 0.00 N ATOM 495 CA HIS A 31 0.044 0.890 -3.213 1.00 0.00 C ATOM 496 C HIS A 31 0.618 -0.368 -2.568 1.00 0.00 C ATOM 497 O HIS A 31 1.296 -1.158 -3.223 1.00 0.00 O ATOM 498 CB HIS A 31 0.742 2.130 -2.652 1.00 0.00 C ATOM 499 CG HIS A 31 2.182 2.238 -3.050 1.00 0.00 C ATOM 500 ND1 HIS A 31 3.222 2.108 -2.155 1.00 0.00 N ATOM 501 CD2 HIS A 31 2.752 2.464 -4.257 1.00 0.00 C ATOM 502 CE1 HIS A 31 4.370 2.250 -2.793 1.00 0.00 C ATOM 503 NE2 HIS A 31 4.112 2.468 -4.070 1.00 0.00 N ATOM 0 H HIS A 31 -1.682 1.725 -2.364 1.00 0.00 H new ATOM 0 HA HIS A 31 0.220 0.838 -4.287 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.212 3.020 -2.991 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.674 2.114 -1.564 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.233 2.613 -5.193 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.352 2.197 -2.347 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.810 2.615 -4.799 1.00 0.00 H new ATOM 511 N GLN A 32 0.341 -0.545 -1.280 1.00 0.00 N ATOM 512 CA GLN A 32 0.831 -1.706 -0.546 1.00 0.00 C ATOM 513 C GLN A 32 0.287 -2.998 -1.146 1.00 0.00 C ATOM 514 O GLN A 32 0.978 -4.018 -1.181 1.00 0.00 O ATOM 515 CB GLN A 32 0.436 -1.608 0.929 1.00 0.00 C ATOM 516 CG GLN A 32 -1.064 -1.689 1.163 1.00 0.00 C ATOM 517 CD GLN A 32 -1.563 -3.118 1.261 1.00 0.00 C ATOM 518 OE1 GLN A 32 -2.510 -3.504 0.577 1.00 0.00 O ATOM 519 NE2 GLN A 32 -0.925 -3.910 2.113 1.00 0.00 N ATOM 0 H GLN A 32 -0.220 0.100 -0.724 1.00 0.00 H new ATOM 0 HA GLN A 32 1.918 -1.721 -0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.926 -2.410 1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.809 -0.667 1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.314 -1.157 2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.583 -1.182 0.349 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.144 -3.547 2.660 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.215 -4.882 2.221 1.00 0.00 H new ATOM 528 N LEU A 33 -0.954 -2.950 -1.618 1.00 0.00 N ATOM 529 CA LEU A 33 -1.591 -4.117 -2.216 1.00 0.00 C ATOM 530 C LEU A 33 -0.929 -4.479 -3.542 1.00 0.00 C ATOM 531 O LEU A 33 -0.603 -5.641 -3.789 1.00 0.00 O ATOM 532 CB LEU A 33 -3.082 -3.853 -2.433 1.00 0.00 C ATOM 533 CG LEU A 33 -3.880 -4.991 -3.071 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.765 -4.939 -4.587 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.403 -6.337 -2.544 1.00 0.00 C ATOM 0 H LEU A 33 -1.539 -2.115 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.473 -4.956 -1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.533 -3.616 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.186 -2.967 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.929 -4.869 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.339 -5.756 -5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.155 -3.988 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.718 -5.036 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.982 -7.135 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.347 -6.468 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.538 -6.373 -1.463 1.00 0.00 H new ATOM 547 N LEU A 34 -0.732 -3.477 -4.391 1.00 0.00 N ATOM 548 CA LEU A 34 -0.106 -3.689 -5.693 1.00 0.00 C ATOM 549 C LEU A 34 1.287 -4.293 -5.535 1.00 0.00 C ATOM 550 O LEU A 34 1.647 -5.238 -6.236 1.00 0.00 O ATOM 551 CB LEU A 34 -0.018 -2.368 -6.459 1.00 0.00 C ATOM 552 CG LEU A 34 -1.304 -1.901 -7.141 1.00 0.00 C ATOM 553 CD1 LEU A 34 -1.122 -0.511 -7.729 1.00 0.00 C ATOM 554 CD2 LEU A 34 -1.725 -2.887 -8.220 1.00 0.00 C ATOM 0 H LEU A 34 -0.996 -2.510 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.723 -4.388 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.305 -1.591 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.759 -2.462 -7.218 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.094 -1.856 -6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.048 -0.195 -8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.869 0.190 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.318 -0.530 -8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.642 -2.538 -8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.937 -2.966 -8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.898 -3.865 -7.771 1.00 0.00 H new ATOM 566 N TYR A 35 2.064 -3.741 -4.610 1.00 0.00 N ATOM 567 CA TYR A 35 3.416 -4.225 -4.361 1.00 0.00 C ATOM 568 C TYR A 35 3.390 -5.586 -3.672 1.00 0.00 C ATOM 569 O TYR A 35 4.256 -6.430 -3.906 1.00 0.00 O ATOM 570 CB TYR A 35 4.189 -3.221 -3.502 1.00 0.00 C ATOM 571 CG TYR A 35 5.546 -3.721 -3.061 1.00 0.00 C ATOM 572 CD1 TYR A 35 6.647 -3.637 -3.904 1.00 0.00 C ATOM 573 CD2 TYR A 35 5.728 -4.276 -1.800 1.00 0.00 C ATOM 574 CE1 TYR A 35 7.889 -4.093 -3.505 1.00 0.00 C ATOM 575 CE2 TYR A 35 6.966 -4.733 -1.392 1.00 0.00 C ATOM 576 CZ TYR A 35 8.043 -4.640 -2.249 1.00 0.00 C ATOM 577 OH TYR A 35 9.278 -5.094 -1.847 1.00 0.00 O ATOM 0 H TYR A 35 1.781 -2.958 -4.021 1.00 0.00 H new ATOM 0 HA TYR A 35 3.918 -4.334 -5.322 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.317 -2.296 -4.065 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.596 -2.978 -2.620 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.530 -3.208 -4.888 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.887 -4.351 -1.127 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.734 -4.021 -4.173 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.090 -5.161 -0.408 1.00 0.00 H new ATOM 0 HH TYR A 35 9.215 -5.449 -0.936 1.00 0.00 H new ATOM 587 N LEU A 36 2.390 -5.792 -2.822 1.00 0.00 N ATOM 588 CA LEU A 36 2.248 -7.051 -2.098 1.00 0.00 C ATOM 589 C LEU A 36 1.870 -8.184 -3.048 1.00 0.00 C ATOM 590 O LEU A 36 2.225 -9.341 -2.819 1.00 0.00 O ATOM 591 CB LEU A 36 1.191 -6.915 -1.002 1.00 0.00 C ATOM 592 CG LEU A 36 0.968 -8.149 -0.127 1.00 0.00 C ATOM 593 CD1 LEU A 36 2.293 -8.663 0.418 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.009 -7.832 1.011 1.00 0.00 C ATOM 0 H LEU A 36 1.666 -5.104 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 36 3.208 -7.290 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.471 -6.083 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.243 -6.650 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 36 0.523 -8.931 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.115 -9.541 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.948 -8.931 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.766 -7.885 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.137 -8.722 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.425 -7.034 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.949 -7.512 0.601 1.00 0.00 H new ATOM 606 N GLN A 37 1.151 -7.843 -4.112 1.00 0.00 N ATOM 607 CA GLN A 37 0.727 -8.833 -5.096 1.00 0.00 C ATOM 608 C GLN A 37 1.913 -9.663 -5.579 1.00 0.00 C ATOM 609 O GLN A 37 1.775 -10.852 -5.866 1.00 0.00 O ATOM 610 CB GLN A 37 0.053 -8.145 -6.283 1.00 0.00 C ATOM 611 CG GLN A 37 -1.270 -8.781 -6.683 1.00 0.00 C ATOM 612 CD GLN A 37 -2.239 -8.891 -5.523 1.00 0.00 C ATOM 613 OE1 GLN A 37 -2.266 -9.898 -4.815 1.00 0.00 O ATOM 614 NE2 GLN A 37 -3.041 -7.852 -5.322 1.00 0.00 N ATOM 0 H GLN A 37 0.850 -6.890 -4.315 1.00 0.00 H new ATOM 0 HA GLN A 37 0.011 -9.501 -4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.117 -7.097 -6.037 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.730 -8.166 -7.137 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.726 -8.191 -7.478 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.083 -9.775 -7.090 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.984 -7.038 -5.934 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.714 -7.868 -4.556 1.00 0.00 H new ATOM 623 N HIS A 38 3.077 -9.027 -5.667 1.00 0.00 N ATOM 624 CA HIS A 38 4.287 -9.707 -6.117 1.00 0.00 C ATOM 625 C HIS A 38 4.703 -10.787 -5.122 1.00 0.00 C ATOM 626 O HIS A 38 4.929 -11.936 -5.501 1.00 0.00 O ATOM 627 CB HIS A 38 5.424 -8.701 -6.300 1.00 0.00 C ATOM 628 CG HIS A 38 5.470 -8.093 -7.668 1.00 0.00 C ATOM 629 ND1 HIS A 38 4.389 -7.461 -8.248 1.00 0.00 N ATOM 630 CD2 HIS A 38 6.475 -8.021 -8.572 1.00 0.00 C ATOM 631 CE1 HIS A 38 4.728 -7.028 -9.449 1.00 0.00 C ATOM 632 NE2 HIS A 38 5.988 -7.355 -9.671 1.00 0.00 N ATOM 0 H HIS A 38 3.208 -8.043 -5.433 1.00 0.00 H new ATOM 0 HA HIS A 38 4.074 -10.181 -7.075 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.318 -7.906 -5.561 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.373 -9.198 -6.100 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.474 -8.414 -8.452 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.084 -6.496 -10.134 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.514 -7.147 -10.520 1.00 0.00 H new ATOM 640 N GLN A 39 4.803 -10.408 -3.852 1.00 0.00 N ATOM 641 CA GLN A 39 5.194 -11.345 -2.805 1.00 0.00 C ATOM 642 C GLN A 39 4.245 -12.538 -2.760 1.00 0.00 C ATOM 643 O GLN A 39 4.674 -13.679 -2.583 1.00 0.00 O ATOM 644 CB GLN A 39 5.215 -10.644 -1.446 1.00 0.00 C ATOM 645 CG GLN A 39 6.195 -9.485 -1.375 1.00 0.00 C ATOM 646 CD GLN A 39 7.636 -9.926 -1.545 1.00 0.00 C ATOM 647 OE1 GLN A 39 8.156 -10.704 -0.745 1.00 0.00 O ATOM 648 NE2 GLN A 39 8.287 -9.431 -2.590 1.00 0.00 N ATOM 0 H GLN A 39 4.619 -9.460 -3.523 1.00 0.00 H new ATOM 0 HA GLN A 39 6.196 -11.709 -3.034 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.214 -10.277 -1.220 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.469 -11.372 -0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.948 -8.758 -2.149 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.085 -8.980 -0.416 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.816 -8.789 -3.227 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.259 -9.693 -2.756 1.00 0.00 H new ATOM 657 N LEU A 40 2.955 -12.269 -2.922 1.00 0.00 N ATOM 658 CA LEU A 40 1.944 -13.320 -2.900 1.00 0.00 C ATOM 659 C LEU A 40 2.118 -14.268 -4.083 1.00 0.00 C ATOM 660 O LEU A 40 2.162 -15.486 -3.912 1.00 0.00 O ATOM 661 CB LEU A 40 0.543 -12.708 -2.924 1.00 0.00 C ATOM 662 CG LEU A 40 -0.620 -13.697 -3.022 1.00 0.00 C ATOM 663 CD1 LEU A 40 -0.900 -14.050 -4.474 1.00 0.00 C ATOM 664 CD2 LEU A 40 -0.323 -14.951 -2.213 1.00 0.00 C ATOM 0 H LEU A 40 2.584 -11.331 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 40 2.069 -13.890 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.413 -12.113 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.482 -12.022 -3.769 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.510 -13.224 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.730 -14.754 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.158 -13.146 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.013 -14.503 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.161 -15.643 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.579 -15.427 -2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.174 -14.683 -1.167 1.00 0.00 H new ATOM 676 N ASP A 41 2.219 -13.699 -5.278 1.00 0.00 N ATOM 677 CA ASP A 41 2.393 -14.493 -6.490 1.00 0.00 C ATOM 678 C ASP A 41 3.584 -15.436 -6.356 1.00 0.00 C ATOM 679 O ASP A 41 3.500 -16.611 -6.709 1.00 0.00 O ATOM 680 CB ASP A 41 2.582 -13.579 -7.702 1.00 0.00 C ATOM 681 CG ASP A 41 1.309 -12.849 -8.080 1.00 0.00 C ATOM 682 OD1 ASP A 41 0.215 -13.352 -7.752 1.00 0.00 O ATOM 683 OD2 ASP A 41 1.408 -11.771 -8.705 1.00 0.00 O ATOM 0 H ASP A 41 2.184 -12.692 -5.435 1.00 0.00 H new ATOM 0 HA ASP A 41 1.494 -15.092 -6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.364 -12.851 -7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.923 -14.172 -8.551 1.00 0.00 H new ATOM 688 N GLU A 42 4.693 -14.911 -5.843 1.00 0.00 N ATOM 689 CA GLU A 42 5.902 -15.706 -5.665 1.00 0.00 C ATOM 690 C GLU A 42 5.762 -16.650 -4.475 1.00 0.00 C ATOM 691 O GLU A 42 6.366 -17.723 -4.444 1.00 0.00 O ATOM 692 CB GLU A 42 7.114 -14.793 -5.467 1.00 0.00 C ATOM 693 CG GLU A 42 7.077 -14.005 -4.169 1.00 0.00 C ATOM 694 CD GLU A 42 8.357 -13.230 -3.920 1.00 0.00 C ATOM 695 OE1 GLU A 42 9.288 -13.803 -3.316 1.00 0.00 O ATOM 696 OE2 GLU A 42 8.426 -12.052 -4.328 1.00 0.00 O ATOM 0 H GLU A 42 4.779 -13.940 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 42 6.049 -16.304 -6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.021 -15.397 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.174 -14.097 -6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.236 -13.312 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.903 -14.689 -3.338 1.00 0.00 H new ATOM 703 N LEU A 43 4.961 -16.243 -3.496 1.00 0.00 N ATOM 704 CA LEU A 43 4.741 -17.051 -2.302 1.00 0.00 C ATOM 705 C LEU A 43 3.959 -18.317 -2.638 1.00 0.00 C ATOM 706 O LEU A 43 4.144 -19.357 -2.009 1.00 0.00 O ATOM 707 CB LEU A 43 3.992 -16.240 -1.244 1.00 0.00 C ATOM 708 CG LEU A 43 3.604 -16.993 0.029 1.00 0.00 C ATOM 709 CD1 LEU A 43 4.627 -16.746 1.127 1.00 0.00 C ATOM 710 CD2 LEU A 43 2.214 -16.581 0.490 1.00 0.00 C ATOM 0 H LEU A 43 4.453 -15.358 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 43 5.714 -17.342 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.610 -15.387 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.085 -15.840 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 43 3.589 -18.060 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.335 -17.290 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.606 -17.092 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.674 -15.680 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.955 -17.127 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.201 -15.510 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.489 -16.810 -0.291 1.00 0.00 H new ATOM 722 N ASN A 44 3.086 -18.220 -3.635 1.00 0.00 N ATOM 723 CA ASN A 44 2.277 -19.357 -4.057 1.00 0.00 C ATOM 724 C ASN A 44 3.158 -20.558 -4.390 1.00 0.00 C ATOM 725 O ASN A 44 2.872 -21.683 -3.980 1.00 0.00 O ATOM 726 CB ASN A 44 1.426 -18.983 -5.272 1.00 0.00 C ATOM 727 CG ASN A 44 0.481 -17.832 -4.982 1.00 0.00 C ATOM 728 OD1 ASN A 44 0.380 -16.887 -5.765 1.00 0.00 O ATOM 729 ND2 ASN A 44 -0.215 -17.906 -3.854 1.00 0.00 N ATOM 0 H ASN A 44 2.921 -17.365 -4.166 1.00 0.00 H new ATOM 0 HA ASN A 44 1.619 -19.628 -3.231 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.080 -18.713 -6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.850 -19.852 -5.590 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.866 -17.161 -3.606 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.099 -18.708 -3.235 1.00 0.00 H new ATOM 736 N GLU A 45 4.230 -20.310 -5.135 1.00 0.00 N ATOM 737 CA GLU A 45 5.152 -21.371 -5.523 1.00 0.00 C ATOM 738 C GLU A 45 6.266 -21.528 -4.491 1.00 0.00 C ATOM 739 O GLU A 45 6.651 -22.643 -4.142 1.00 0.00 O ATOM 740 CB GLU A 45 5.754 -21.076 -6.898 1.00 0.00 C ATOM 741 CG GLU A 45 6.515 -19.763 -6.962 1.00 0.00 C ATOM 742 CD GLU A 45 6.998 -19.436 -8.361 1.00 0.00 C ATOM 743 OE1 GLU A 45 6.789 -20.266 -9.270 1.00 0.00 O ATOM 744 OE2 GLU A 45 7.585 -18.348 -8.547 1.00 0.00 O ATOM 0 H GLU A 45 4.482 -19.384 -5.482 1.00 0.00 H new ATOM 0 HA GLU A 45 4.591 -22.305 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.426 -21.889 -7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.955 -21.059 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.873 -18.958 -6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.370 -19.810 -6.288 1.00 0.00 H new ATOM 751 N ASN A 46 6.781 -20.402 -4.009 1.00 0.00 N ATOM 752 CA ASN A 46 7.852 -20.412 -3.019 1.00 0.00 C ATOM 753 C ASN A 46 7.437 -21.195 -1.777 1.00 0.00 C ATOM 754 O ASN A 46 8.250 -21.883 -1.162 1.00 0.00 O ATOM 755 CB ASN A 46 8.231 -18.982 -2.631 1.00 0.00 C ATOM 756 CG ASN A 46 9.505 -18.924 -1.810 1.00 0.00 C ATOM 757 OD1 ASN A 46 10.218 -19.919 -1.679 1.00 0.00 O ATOM 758 ND2 ASN A 46 9.795 -17.755 -1.252 1.00 0.00 N ATOM 0 H ASN A 46 6.474 -19.470 -4.288 1.00 0.00 H new ATOM 0 HA ASN A 46 8.719 -20.902 -3.463 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.356 -18.385 -3.534 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.415 -18.534 -2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.639 -17.655 -0.687 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.174 -16.957 -1.388 1.00 0.00 H new ATOM 765 N LYS A 47 6.163 -21.086 -1.415 1.00 0.00 N ATOM 766 CA LYS A 47 5.637 -21.784 -0.248 1.00 0.00 C ATOM 767 C LYS A 47 6.509 -21.530 0.977 1.00 0.00 C ATOM 768 O LYS A 47 6.650 -22.395 1.841 1.00 0.00 O ATOM 769 CB LYS A 47 5.550 -23.287 -0.523 1.00 0.00 C ATOM 770 CG LYS A 47 4.696 -23.636 -1.730 1.00 0.00 C ATOM 771 CD LYS A 47 3.226 -23.745 -1.359 1.00 0.00 C ATOM 772 CE LYS A 47 2.486 -24.696 -2.288 1.00 0.00 C ATOM 773 NZ LYS A 47 1.426 -25.458 -1.572 1.00 0.00 N ATOM 0 H LYS A 47 5.476 -20.521 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 47 4.637 -21.400 -0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.556 -23.679 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.143 -23.786 0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.823 -22.874 -2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.036 -24.580 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.134 -24.094 -0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.764 -22.759 -1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.038 -24.130 -3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.195 -25.393 -2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.945 -26.095 -2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.857 -26.018 -0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.735 -24.795 -1.167 1.00 0.00 H new ATOM 787 N SER A 48 7.090 -20.337 1.046 1.00 0.00 N ATOM 788 CA SER A 48 7.950 -19.969 2.166 1.00 0.00 C ATOM 789 C SER A 48 7.131 -19.768 3.437 1.00 0.00 C ATOM 790 O SER A 48 6.178 -18.989 3.459 1.00 0.00 O ATOM 791 CB SER A 48 8.730 -18.694 1.840 1.00 0.00 C ATOM 792 OG SER A 48 9.074 -17.991 3.021 1.00 0.00 O ATOM 0 H SER A 48 6.981 -19.609 0.340 1.00 0.00 H new ATOM 0 HA SER A 48 8.654 -20.784 2.334 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.635 -18.949 1.288 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.131 -18.053 1.193 1.00 0.00 H new ATOM 0 HG SER A 48 9.913 -17.504 2.879 1.00 0.00 H new ATOM 798 N LYS A 49 7.510 -20.475 4.496 1.00 0.00 N ATOM 799 CA LYS A 49 6.813 -20.375 5.773 1.00 0.00 C ATOM 800 C LYS A 49 6.905 -18.959 6.332 1.00 0.00 C ATOM 801 O LYS A 49 5.903 -18.384 6.757 1.00 0.00 O ATOM 802 CB LYS A 49 7.400 -21.371 6.776 1.00 0.00 C ATOM 803 CG LYS A 49 8.911 -21.279 6.912 1.00 0.00 C ATOM 804 CD LYS A 49 9.544 -22.655 7.022 1.00 0.00 C ATOM 805 CE LYS A 49 10.865 -22.722 6.272 1.00 0.00 C ATOM 806 NZ LYS A 49 11.980 -23.173 7.149 1.00 0.00 N ATOM 0 H LYS A 49 8.297 -21.124 4.495 1.00 0.00 H new ATOM 0 HA LYS A 49 5.762 -20.613 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.945 -21.202 7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.132 -22.382 6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.324 -20.755 6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.163 -20.690 7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.708 -22.899 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.860 -23.404 6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.769 -23.405 5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.100 -21.740 5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.863 -23.205 6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.089 -22.508 7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.768 -24.121 7.520 1.00 0.00 H new ATOM 820 N GLU A 50 8.112 -18.403 6.329 1.00 0.00 N ATOM 821 CA GLU A 50 8.333 -17.053 6.836 1.00 0.00 C ATOM 822 C GLU A 50 7.638 -16.020 5.954 1.00 0.00 C ATOM 823 O GLU A 50 6.972 -15.111 6.450 1.00 0.00 O ATOM 824 CB GLU A 50 9.831 -16.751 6.911 1.00 0.00 C ATOM 825 CG GLU A 50 10.563 -16.973 5.599 1.00 0.00 C ATOM 826 CD GLU A 50 12.067 -16.828 5.737 1.00 0.00 C ATOM 827 OE1 GLU A 50 12.733 -17.833 6.057 1.00 0.00 O ATOM 828 OE2 GLU A 50 12.576 -15.707 5.525 1.00 0.00 O ATOM 0 H GLU A 50 8.952 -18.866 5.981 1.00 0.00 H new ATOM 0 HA GLU A 50 7.908 -16.995 7.838 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.969 -15.716 7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.282 -17.379 7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.331 -17.969 5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.199 -16.260 4.859 1.00 0.00 H new ATOM 835 N LEU A 51 7.799 -16.166 4.643 1.00 0.00 N ATOM 836 CA LEU A 51 7.188 -15.247 3.690 1.00 0.00 C ATOM 837 C LEU A 51 5.673 -15.210 3.863 1.00 0.00 C ATOM 838 O LEU A 51 5.055 -14.149 3.774 1.00 0.00 O ATOM 839 CB LEU A 51 7.541 -15.655 2.259 1.00 0.00 C ATOM 840 CG LEU A 51 7.135 -14.672 1.161 1.00 0.00 C ATOM 841 CD1 LEU A 51 7.703 -13.290 1.445 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.598 -15.171 -0.200 1.00 0.00 C ATOM 0 H LEU A 51 8.348 -16.912 4.216 1.00 0.00 H new ATOM 0 HA LEU A 51 7.581 -14.249 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.619 -15.808 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.071 -16.616 2.050 1.00 0.00 H new ATOM 0 HG LEU A 51 6.047 -14.600 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.404 -12.604 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.322 -12.929 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.791 -13.345 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.300 -14.459 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.683 -15.273 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.143 -16.140 -0.407 1.00 0.00 H new ATOM 854 N GLN A 52 5.083 -16.375 4.111 1.00 0.00 N ATOM 855 CA GLN A 52 3.640 -16.475 4.298 1.00 0.00 C ATOM 856 C GLN A 52 3.213 -15.814 5.604 1.00 0.00 C ATOM 857 O GLN A 52 2.373 -14.915 5.610 1.00 0.00 O ATOM 858 CB GLN A 52 3.204 -17.942 4.288 1.00 0.00 C ATOM 859 CG GLN A 52 1.698 -18.128 4.365 1.00 0.00 C ATOM 860 CD GLN A 52 1.286 -19.106 5.449 1.00 0.00 C ATOM 861 OE1 GLN A 52 1.604 -18.918 6.624 1.00 0.00 O ATOM 862 NE2 GLN A 52 0.574 -20.156 5.059 1.00 0.00 N ATOM 0 H GLN A 52 5.581 -17.262 4.187 1.00 0.00 H new ATOM 0 HA GLN A 52 3.155 -15.953 3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.575 -18.417 3.379 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.669 -18.457 5.129 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.226 -17.164 4.552 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.330 -18.482 3.402 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.333 -20.272 4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.268 -20.847 5.744 1.00 0.00 H new ATOM 871 N GLU A 53 3.796 -16.267 6.710 1.00 0.00 N ATOM 872 CA GLU A 53 3.474 -15.720 8.022 1.00 0.00 C ATOM 873 C GLU A 53 3.634 -14.201 8.032 1.00 0.00 C ATOM 874 O GLU A 53 2.913 -13.495 8.736 1.00 0.00 O ATOM 875 CB GLU A 53 4.369 -16.345 9.094 1.00 0.00 C ATOM 876 CG GLU A 53 3.783 -17.600 9.719 1.00 0.00 C ATOM 877 CD GLU A 53 4.788 -18.349 10.573 1.00 0.00 C ATOM 878 OE1 GLU A 53 5.818 -18.795 10.025 1.00 0.00 O ATOM 879 OE2 GLU A 53 4.543 -18.490 11.790 1.00 0.00 O ATOM 0 H GLU A 53 4.493 -17.011 6.723 1.00 0.00 H new ATOM 0 HA GLU A 53 2.434 -15.961 8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.336 -16.586 8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.551 -15.610 9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.922 -17.329 10.330 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.419 -18.259 8.930 1.00 0.00 H new ATOM 886 N LYS A 54 4.585 -13.708 7.247 1.00 0.00 N ATOM 887 CA LYS A 54 4.841 -12.275 7.164 1.00 0.00 C ATOM 888 C LYS A 54 3.718 -11.564 6.414 1.00 0.00 C ATOM 889 O LYS A 54 3.124 -10.614 6.923 1.00 0.00 O ATOM 890 CB LYS A 54 6.179 -12.015 6.468 1.00 0.00 C ATOM 891 CG LYS A 54 7.385 -12.275 7.353 1.00 0.00 C ATOM 892 CD LYS A 54 8.102 -10.984 7.711 1.00 0.00 C ATOM 893 CE LYS A 54 7.405 -10.257 8.850 1.00 0.00 C ATOM 894 NZ LYS A 54 7.878 -10.727 10.181 1.00 0.00 N ATOM 0 H LYS A 54 5.192 -14.280 6.659 1.00 0.00 H new ATOM 0 HA LYS A 54 4.883 -11.879 8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.247 -12.646 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.206 -10.980 6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.066 -12.780 8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.075 -12.946 6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.131 -11.205 7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.145 -10.335 6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.583 -9.185 8.759 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.328 -10.409 8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.379 -10.207 10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.686 -11.744 10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.901 -10.559 10.265 1.00 0.00 H new ATOM 908 N ILE A 55 3.435 -12.031 5.203 1.00 0.00 N ATOM 909 CA ILE A 55 2.383 -11.441 4.384 1.00 0.00 C ATOM 910 C ILE A 55 1.044 -11.456 5.116 1.00 0.00 C ATOM 911 O ILE A 55 0.252 -10.521 4.999 1.00 0.00 O ATOM 912 CB ILE A 55 2.231 -12.182 3.043 1.00 0.00 C ATOM 913 CG1 ILE A 55 3.519 -12.069 2.224 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.050 -11.625 2.261 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.656 -13.139 1.165 1.00 0.00 C ATOM 0 H ILE A 55 3.919 -12.816 4.767 1.00 0.00 H new ATOM 0 HA ILE A 55 2.676 -10.410 4.188 1.00 0.00 H new ATOM 0 HB ILE A 55 2.043 -13.236 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.552 -11.090 1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.374 -12.124 2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.955 -12.159 1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.137 -11.752 2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.211 -10.565 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.591 -12.997 0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.655 -14.121 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.820 -13.071 0.469 1.00 0.00 H new ATOM 927 N ILE A 56 0.801 -12.523 5.870 1.00 0.00 N ATOM 928 CA ILE A 56 -0.440 -12.658 6.622 1.00 0.00 C ATOM 929 C ILE A 56 -0.567 -11.562 7.674 1.00 0.00 C ATOM 930 O ILE A 56 -1.625 -10.949 7.822 1.00 0.00 O ATOM 931 CB ILE A 56 -0.532 -14.030 7.314 1.00 0.00 C ATOM 932 CG1 ILE A 56 -0.522 -15.153 6.273 1.00 0.00 C ATOM 933 CG2 ILE A 56 -1.786 -14.109 8.171 1.00 0.00 C ATOM 934 CD1 ILE A 56 0.017 -16.463 6.802 1.00 0.00 C ATOM 0 H ILE A 56 1.447 -13.306 5.976 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.255 -12.566 5.904 1.00 0.00 H new ATOM 0 HB ILE A 56 0.336 -14.151 7.962 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.537 -15.308 5.908 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.079 -14.840 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.836 -15.085 8.653 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.756 -13.329 8.932 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.666 -13.969 7.543 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.006 -17.212 6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.044 -16.324 7.140 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.598 -16.799 7.637 1.00 0.00 H new ATOM 946 N ARG A 57 0.518 -11.318 8.402 1.00 0.00 N ATOM 947 CA ARG A 57 0.528 -10.295 9.440 1.00 0.00 C ATOM 948 C ARG A 57 0.317 -8.909 8.838 1.00 0.00 C ATOM 949 O ARG A 57 -0.560 -8.162 9.271 1.00 0.00 O ATOM 950 CB ARG A 57 1.849 -10.334 10.210 1.00 0.00 C ATOM 951 CG ARG A 57 1.742 -11.006 11.569 1.00 0.00 C ATOM 952 CD ARG A 57 1.661 -12.519 11.437 1.00 0.00 C ATOM 953 NE ARG A 57 1.167 -13.149 12.658 1.00 0.00 N ATOM 954 CZ ARG A 57 0.849 -14.436 12.743 1.00 0.00 C ATOM 955 NH1 ARG A 57 0.972 -15.225 11.686 1.00 0.00 N ATOM 956 NH2 ARG A 57 0.406 -14.936 13.890 1.00 0.00 N ATOM 0 H ARG A 57 1.402 -11.815 8.292 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.292 -10.501 10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.593 -10.860 9.612 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.211 -9.315 10.346 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.606 -10.738 12.178 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.858 -10.637 12.090 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.005 -12.776 10.606 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.648 -12.915 11.198 1.00 0.00 H new ATOM 0 HE ARG A 57 1.060 -12.570 13.491 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.312 -14.845 10.803 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.727 -16.213 11.756 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.310 -14.332 14.706 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.162 -15.924 13.955 1.00 0.00 H new ATOM 970 N GLU A 58 1.128 -8.572 7.840 1.00 0.00 N ATOM 971 CA GLU A 58 1.030 -7.275 7.182 1.00 0.00 C ATOM 972 C GLU A 58 -0.341 -7.094 6.536 1.00 0.00 C ATOM 973 O GLU A 58 -0.982 -6.054 6.694 1.00 0.00 O ATOM 974 CB GLU A 58 2.126 -7.131 6.124 1.00 0.00 C ATOM 975 CG GLU A 58 2.738 -5.742 6.066 1.00 0.00 C ATOM 976 CD GLU A 58 4.081 -5.724 5.363 1.00 0.00 C ATOM 977 OE1 GLU A 58 4.551 -6.805 4.952 1.00 0.00 O ATOM 978 OE2 GLU A 58 4.662 -4.627 5.223 1.00 0.00 O ATOM 0 H GLU A 58 1.860 -9.179 7.470 1.00 0.00 H new ATOM 0 HA GLU A 58 1.161 -6.502 7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.913 -7.857 6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.710 -7.377 5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.053 -5.069 5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.858 -5.359 7.080 1.00 0.00 H new ATOM 985 N LEU A 59 -0.786 -8.114 5.810 1.00 0.00 N ATOM 986 CA LEU A 59 -2.080 -8.069 5.140 1.00 0.00 C ATOM 987 C LEU A 59 -3.218 -8.016 6.155 1.00 0.00 C ATOM 988 O LEU A 59 -4.271 -7.435 5.893 1.00 0.00 O ATOM 989 CB LEU A 59 -2.249 -9.288 4.231 1.00 0.00 C ATOM 990 CG LEU A 59 -3.378 -9.207 3.203 1.00 0.00 C ATOM 991 CD1 LEU A 59 -3.216 -7.974 2.328 1.00 0.00 C ATOM 992 CD2 LEU A 59 -3.414 -10.468 2.351 1.00 0.00 C ATOM 0 H LEU A 59 -0.269 -8.982 5.671 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.116 -7.164 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.312 -9.453 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.418 -10.163 4.858 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.325 -9.126 3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.029 -7.933 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.241 -7.080 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.262 -8.024 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.223 -10.393 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.465 -10.580 1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.579 -11.335 2.991 1.00 0.00 H new ATOM 1004 N ASP A 60 -2.996 -8.624 7.315 1.00 0.00 N ATOM 1005 CA ASP A 60 -4.001 -8.643 8.372 1.00 0.00 C ATOM 1006 C ASP A 60 -4.212 -7.245 8.947 1.00 0.00 C ATOM 1007 O ASP A 60 -5.335 -6.745 8.992 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.586 -9.608 9.483 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.558 -9.607 10.646 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.758 -9.869 10.415 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -4.120 -9.347 11.785 1.00 0.00 O ATOM 0 H ASP A 60 -2.130 -9.110 7.547 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.941 -8.984 7.939 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.513 -10.616 9.075 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.593 -9.337 9.843 1.00 0.00 H new ATOM 1016 N VAL A 61 -3.124 -6.622 9.387 1.00 0.00 N ATOM 1017 CA VAL A 61 -3.189 -5.283 9.960 1.00 0.00 C ATOM 1018 C VAL A 61 -3.682 -4.269 8.933 1.00 0.00 C ATOM 1019 O VAL A 61 -4.469 -3.378 9.253 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.815 -4.832 10.491 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -1.406 -5.670 11.693 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -0.766 -4.913 9.392 1.00 0.00 C ATOM 0 H VAL A 61 -2.187 -7.023 9.358 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.894 -5.328 10.790 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.892 -3.793 10.812 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.433 -5.337 12.054 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.146 -5.556 12.485 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.346 -6.719 11.402 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.198 -4.591 9.785 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.688 -5.941 9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.055 -4.265 8.564 1.00 0.00 H new ATOM 1032 N VAL A 62 -3.214 -4.412 7.697 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.609 -3.510 6.622 1.00 0.00 C ATOM 1034 C VAL A 62 -5.081 -3.688 6.269 1.00 0.00 C ATOM 1035 O VAL A 62 -5.858 -2.732 6.304 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.758 -3.737 5.358 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.299 -2.917 4.196 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.300 -3.397 5.629 1.00 0.00 C ATOM 0 H VAL A 62 -2.561 -5.144 7.416 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.445 -2.495 6.984 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.816 -4.791 5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.685 -3.090 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.327 -3.214 3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.273 -1.858 4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.714 -3.563 4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.219 -2.352 5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.921 -4.032 6.429 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.458 -4.915 5.928 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.839 -5.218 5.568 1.00 0.00 C ATOM 1050 C CYS A 63 -7.785 -4.899 6.721 1.00 0.00 C ATOM 1051 O CYS A 63 -8.955 -4.583 6.508 1.00 0.00 O ATOM 1052 CB CYS A 63 -6.974 -6.690 5.175 1.00 0.00 C ATOM 1053 SG CYS A 63 -8.645 -7.173 4.684 1.00 0.00 S ATOM 0 H CYS A 63 -4.827 -5.716 5.893 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.111 -4.595 4.716 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.290 -6.899 4.352 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.661 -7.309 6.015 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.657 -8.434 4.368 1.00 0.00 H new ATOM 1059 N ALA A 64 -7.270 -4.985 7.944 1.00 0.00 N ATOM 1060 CA ALA A 64 -8.067 -4.705 9.130 1.00 0.00 C ATOM 1061 C ALA A 64 -8.373 -3.215 9.248 1.00 0.00 C ATOM 1062 O ALA A 64 -9.534 -2.811 9.290 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.350 -5.199 10.377 1.00 0.00 C ATOM 0 H ALA A 64 -6.303 -5.247 8.138 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.014 -5.237 9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.958 -4.983 11.256 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.190 -6.275 10.302 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.388 -4.694 10.468 1.00 0.00 H new ATOM 1069 N MET A 65 -7.321 -2.403 9.302 1.00 0.00 N ATOM 1070 CA MET A 65 -7.478 -0.958 9.415 1.00 0.00 C ATOM 1071 C MET A 65 -8.233 -0.398 8.213 1.00 0.00 C ATOM 1072 O MET A 65 -9.020 0.541 8.345 1.00 0.00 O ATOM 1073 CB MET A 65 -6.111 -0.283 9.533 1.00 0.00 C ATOM 1074 CG MET A 65 -5.291 -0.341 8.254 1.00 0.00 C ATOM 1075 SD MET A 65 -3.686 0.464 8.420 1.00 0.00 S ATOM 1076 CE MET A 65 -2.726 -0.847 9.176 1.00 0.00 C ATOM 0 H MET A 65 -6.352 -2.721 9.269 1.00 0.00 H new ATOM 0 HA MET A 65 -8.057 -0.749 10.315 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.253 0.760 9.816 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.549 -0.758 10.337 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.143 -1.383 7.969 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.849 0.134 7.447 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.866 -0.418 9.690 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.346 -1.385 9.893 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.381 -1.536 8.405 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.986 -0.977 7.043 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.643 -0.535 5.819 1.00 0.00 C ATOM 1088 C ILE A 66 -10.132 -0.862 5.845 1.00 0.00 C ATOM 1089 O ILE A 66 -10.969 -0.015 5.535 1.00 0.00 O ATOM 1090 CB ILE A 66 -8.008 -1.182 4.574 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.980 -0.237 3.949 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -9.083 -1.549 3.561 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.892 0.192 4.909 1.00 0.00 C ATOM 0 H ILE A 66 -7.336 -1.753 6.917 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.512 0.546 5.763 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.496 -2.095 4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.523 -0.728 3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.493 0.649 3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.619 -2.005 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.781 -2.255 4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.620 -0.650 3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.199 0.861 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.339 0.711 5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.353 -0.686 5.264 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.455 -2.096 6.220 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.844 -2.535 6.287 1.00 0.00 C ATOM 1107 C GLU A 67 -12.641 -1.669 7.259 1.00 0.00 C ATOM 1108 O GLU A 67 -13.690 -1.130 6.909 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.919 -4.002 6.715 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.768 -4.981 5.563 1.00 0.00 C ATOM 1111 CD GLU A 67 -13.077 -5.238 4.841 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -13.948 -4.343 4.853 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -13.230 -6.335 4.264 1.00 0.00 O ATOM 0 H GLU A 67 -9.774 -2.809 6.482 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.279 -2.432 5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.139 -4.197 7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.875 -4.179 7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.037 -4.593 4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.375 -5.924 5.942 1.00 0.00 H new ATOM 1120 N GLY A 68 -12.136 -1.542 8.481 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.812 -0.742 9.484 1.00 0.00 C ATOM 1122 C GLY A 68 -12.897 0.722 9.099 1.00 0.00 C ATOM 1123 O GLY A 68 -13.928 1.364 9.297 1.00 0.00 O ATOM 0 H GLY A 68 -11.270 -1.979 8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.818 -1.133 9.638 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.285 -0.835 10.434 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.811 1.251 8.546 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.767 2.647 8.131 1.00 0.00 C ATOM 1129 C ALA A 69 -12.785 2.925 7.029 1.00 0.00 C ATOM 1130 O ALA A 69 -13.635 3.804 7.165 1.00 0.00 O ATOM 1131 CB ALA A 69 -10.367 3.016 7.664 1.00 0.00 C ATOM 0 H ALA A 69 -10.949 0.733 8.375 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.025 3.264 8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.350 4.062 7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.660 2.865 8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.087 2.386 6.820 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.691 2.169 5.940 1.00 0.00 N ATOM 1138 CA GLN A 70 -13.603 2.336 4.814 1.00 0.00 C ATOM 1139 C GLN A 70 -15.054 2.226 5.269 1.00 0.00 C ATOM 1140 O GLN A 70 -15.881 3.080 4.949 1.00 0.00 O ATOM 1141 CB GLN A 70 -13.313 1.288 3.737 1.00 0.00 C ATOM 1142 CG GLN A 70 -13.306 1.854 2.326 1.00 0.00 C ATOM 1143 CD GLN A 70 -14.632 1.669 1.616 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -15.205 2.622 1.086 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -15.128 0.437 1.600 1.00 0.00 N ATOM 0 H GLN A 70 -11.993 1.436 5.813 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.447 3.330 4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.346 0.828 3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.061 0.498 3.799 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.065 2.916 2.366 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.518 1.370 1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.620 -0.323 2.052 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.017 0.251 1.136 1.00 0.00 H new ATOM 1154 N GLY A 71 -15.358 1.171 6.018 1.00 0.00 N ATOM 1155 CA GLY A 71 -16.710 0.969 6.504 1.00 0.00 C ATOM 1156 C GLY A 71 -17.223 2.154 7.300 1.00 0.00 C ATOM 1157 O GLY A 71 -18.303 2.673 7.025 1.00 0.00 O ATOM 0 H GLY A 71 -14.691 0.452 6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.374 0.788 5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.739 0.076 7.128 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.445 2.581 8.290 1.00 0.00 N ATOM 1162 CA ALA A 72 -16.827 3.712 9.127 1.00 0.00 C ATOM 1163 C ALA A 72 -16.936 4.991 8.305 1.00 0.00 C ATOM 1164 O ALA A 72 -17.982 5.640 8.282 1.00 0.00 O ATOM 1165 CB ALA A 72 -15.825 3.892 10.258 1.00 0.00 C ATOM 0 H ALA A 72 -15.547 2.161 8.532 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.807 3.502 9.554 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.122 4.740 10.876 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -15.800 2.989 10.869 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.835 4.076 9.841 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.848 5.350 7.630 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.821 6.553 6.806 1.00 0.00 C ATOM 1173 C LEU A 73 -16.999 6.577 5.838 1.00 0.00 C ATOM 1174 O LEU A 73 -17.639 7.612 5.649 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.506 6.634 6.030 1.00 0.00 C ATOM 1176 CG LEU A 73 -13.890 8.027 5.895 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -12.373 7.949 5.971 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -14.327 8.679 4.591 1.00 0.00 C ATOM 0 H LEU A 73 -14.974 4.825 7.638 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.900 7.417 7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.780 5.983 6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.672 6.234 5.030 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.244 8.642 6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.952 8.950 5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.078 7.523 6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.000 7.318 5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.879 9.670 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.002 8.065 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.413 8.769 4.576 1.00 0.00 H new ATOM 1190 N GLU A 74 -17.282 5.430 5.230 1.00 0.00 N ATOM 1191 CA GLU A 74 -18.385 5.320 4.283 1.00 0.00 C ATOM 1192 C GLU A 74 -19.719 5.623 4.962 1.00 0.00 C ATOM 1193 O GLU A 74 -20.516 6.415 4.461 1.00 0.00 O ATOM 1194 CB GLU A 74 -18.421 3.919 3.667 1.00 0.00 C ATOM 1195 CG GLU A 74 -17.520 3.766 2.453 1.00 0.00 C ATOM 1196 CD GLU A 74 -17.976 2.656 1.525 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -18.584 1.683 2.018 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -17.725 2.761 0.306 1.00 0.00 O ATOM 0 H GLU A 74 -16.763 4.564 5.376 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.224 6.053 3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.126 3.191 4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.446 3.683 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.494 4.707 1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.502 3.562 2.784 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.952 4.985 6.104 1.00 0.00 N ATOM 1206 CA ARG A 75 -21.188 5.184 6.851 1.00 0.00 C ATOM 1207 C ARG A 75 -21.320 6.634 7.307 1.00 0.00 C ATOM 1208 O ARG A 75 -22.427 7.149 7.459 1.00 0.00 O ATOM 1209 CB ARG A 75 -21.232 4.252 8.063 1.00 0.00 C ATOM 1210 CG ARG A 75 -21.430 2.789 7.700 1.00 0.00 C ATOM 1211 CD ARG A 75 -22.883 2.491 7.362 1.00 0.00 C ATOM 1212 NE ARG A 75 -23.188 2.771 5.962 1.00 0.00 N ATOM 1213 CZ ARG A 75 -24.364 2.513 5.399 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -25.339 1.971 6.116 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -24.565 2.797 4.119 1.00 0.00 N ATOM 0 H ARG A 75 -19.302 4.326 6.532 1.00 0.00 H new ATOM 0 HA ARG A 75 -22.023 4.951 6.191 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.303 4.356 8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -22.040 4.566 8.723 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -20.798 2.535 6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -21.112 2.160 8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.098 1.444 7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -23.534 3.088 8.001 1.00 0.00 H new ATOM 0 HE ARG A 75 -22.458 3.188 5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -25.187 1.752 7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -26.241 1.773 5.683 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -23.817 3.214 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -25.468 2.598 3.688 1.00 0.00 H new ATOM 1229 N GLU A 76 -20.183 7.288 7.523 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.173 8.678 7.962 1.00 0.00 C ATOM 1231 C GLU A 76 -20.458 9.619 6.796 1.00 0.00 C ATOM 1232 O GLU A 76 -21.371 10.444 6.858 1.00 0.00 O ATOM 1233 CB GLU A 76 -18.823 9.026 8.595 1.00 0.00 C ATOM 1234 CG GLU A 76 -18.662 8.503 10.012 1.00 0.00 C ATOM 1235 CD GLU A 76 -19.184 9.473 11.055 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -20.264 10.059 10.831 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -18.513 9.645 12.093 1.00 0.00 O ATOM 0 H GLU A 76 -19.257 6.877 7.401 1.00 0.00 H new ATOM 0 HA GLU A 76 -20.959 8.803 8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.025 8.620 7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.702 10.109 8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.190 7.554 10.107 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.608 8.302 10.204 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.671 9.491 5.733 1.00 0.00 N ATOM 1245 CA LEU A 77 -19.838 10.330 4.552 1.00 0.00 C ATOM 1246 C LEU A 77 -21.185 10.069 3.884 1.00 0.00 C ATOM 1247 O LEU A 77 -21.706 10.916 3.159 1.00 0.00 O ATOM 1248 CB LEU A 77 -18.705 10.075 3.557 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.553 8.635 3.066 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.333 8.426 1.777 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -17.085 8.292 2.865 1.00 0.00 C ATOM 0 H LEU A 77 -18.911 8.814 5.665 1.00 0.00 H new ATOM 0 HA LEU A 77 -19.807 11.372 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -18.858 10.719 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.767 10.381 4.020 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.960 7.967 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -19.213 7.396 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.389 8.630 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.956 9.103 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.996 7.263 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.652 8.965 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.553 8.401 3.810 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.745 8.890 4.135 1.00 0.00 N ATOM 1264 CA LYS A 78 -23.032 8.516 3.561 1.00 0.00 C ATOM 1265 C LYS A 78 -24.151 9.388 4.124 1.00 0.00 C ATOM 1266 O LYS A 78 -25.264 9.401 3.597 1.00 0.00 O ATOM 1267 CB LYS A 78 -23.330 7.042 3.842 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.954 6.117 2.696 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.879 6.302 1.504 1.00 0.00 C ATOM 1270 CE LYS A 78 -23.123 6.187 0.190 1.00 0.00 C ATOM 1271 NZ LYS A 78 -22.082 7.244 0.054 1.00 0.00 N ATOM 0 H LYS A 78 -21.327 8.177 4.733 1.00 0.00 H new ATOM 0 HA LYS A 78 -22.980 8.671 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.790 6.735 4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -24.393 6.929 4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.925 6.311 2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.997 5.082 3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -24.670 5.553 1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -24.361 7.278 1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.654 5.205 0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -23.825 6.260 -0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -21.890 7.414 -0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.420 8.123 0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -21.209 6.934 0.526 1.00 0.00 H new ATOM 1354 N ASN A 83 -25.216 15.970 -4.251 1.00 0.00 N ATOM 1355 CA ASN A 83 -24.445 16.967 -4.984 1.00 0.00 C ATOM 1356 C ASN A 83 -23.697 16.326 -6.149 1.00 0.00 C ATOM 1357 O ASN A 83 -23.208 15.201 -6.043 1.00 0.00 O ATOM 1358 CB ASN A 83 -23.454 17.665 -4.050 1.00 0.00 C ATOM 1359 CG ASN A 83 -23.182 19.098 -4.462 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -22.029 19.513 -4.585 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -24.245 19.864 -4.678 1.00 0.00 N ATOM 0 HA ASN A 83 -25.140 17.706 -5.383 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.846 17.650 -3.033 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -22.517 17.109 -4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -24.124 20.837 -4.958 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -25.183 19.479 -4.564 1.00 0.00 H new ATOM 1368 N ILE A 84 -23.612 17.051 -7.261 1.00 0.00 N ATOM 1369 CA ILE A 84 -22.923 16.553 -8.445 1.00 0.00 C ATOM 1370 C ILE A 84 -21.476 16.192 -8.128 1.00 0.00 C ATOM 1371 O ILE A 84 -21.029 15.077 -8.399 1.00 0.00 O ATOM 1372 CB ILE A 84 -22.944 17.588 -9.585 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -24.369 18.093 -9.818 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -22.374 16.984 -10.860 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -24.616 19.481 -9.268 1.00 0.00 C ATOM 0 H ILE A 84 -24.011 17.984 -7.366 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.456 15.658 -8.767 1.00 0.00 H new ATOM 0 HB ILE A 84 -22.321 18.435 -9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -24.575 18.093 -10.888 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -25.072 17.398 -9.358 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -22.396 17.728 -11.656 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -21.345 16.669 -10.685 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -22.972 16.121 -11.153 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -25.646 19.774 -9.469 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -24.442 19.482 -8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -23.938 20.188 -9.746 1.00 0.00 H new ATOM 1387 N LEU A 85 -20.749 17.142 -7.550 1.00 0.00 N ATOM 1388 CA LEU A 85 -19.351 16.924 -7.193 1.00 0.00 C ATOM 1389 C LEU A 85 -19.221 15.812 -6.156 1.00 0.00 C ATOM 1390 O LEU A 85 -18.401 14.906 -6.304 1.00 0.00 O ATOM 1391 CB LEU A 85 -18.735 18.215 -6.653 1.00 0.00 C ATOM 1392 CG LEU A 85 -17.240 18.164 -6.333 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -17.006 17.518 -4.976 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -16.487 17.410 -7.420 1.00 0.00 C ATOM 0 H LEU A 85 -21.104 18.070 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 85 -18.815 16.621 -8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.903 19.007 -7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -19.271 18.498 -5.747 1.00 0.00 H new ATOM 0 HG LEU A 85 -16.861 19.185 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.937 17.491 -4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -17.513 18.098 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.400 16.502 -4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.425 17.384 -7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.869 16.391 -7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.627 17.914 -8.376 1.00 0.00 H new ATOM 1406 N GLU A 86 -20.035 15.888 -5.109 1.00 0.00 N ATOM 1407 CA GLU A 86 -20.012 14.887 -4.050 1.00 0.00 C ATOM 1408 C GLU A 86 -20.265 13.492 -4.612 1.00 0.00 C ATOM 1409 O GLU A 86 -19.596 12.529 -4.238 1.00 0.00 O ATOM 1410 CB GLU A 86 -21.059 15.216 -2.983 1.00 0.00 C ATOM 1411 CG GLU A 86 -20.782 16.510 -2.237 1.00 0.00 C ATOM 1412 CD GLU A 86 -21.855 16.837 -1.217 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -22.241 15.931 -0.450 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -22.310 18.001 -1.188 1.00 0.00 O ATOM 0 H GLU A 86 -20.719 16.632 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 86 -19.022 14.902 -3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -22.039 15.282 -3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.105 14.396 -2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.818 16.435 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -20.705 17.328 -2.953 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.236 13.391 -5.515 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.580 12.114 -6.129 1.00 0.00 C ATOM 1423 C ARG A 87 -20.400 11.558 -6.923 1.00 0.00 C ATOM 1424 O ARG A 87 -20.067 10.377 -6.813 1.00 0.00 O ATOM 1425 CB ARG A 87 -22.794 12.275 -7.044 1.00 0.00 C ATOM 1426 CG ARG A 87 -24.117 12.337 -6.297 1.00 0.00 C ATOM 1427 CD ARG A 87 -24.750 10.960 -6.172 1.00 0.00 C ATOM 1428 NE ARG A 87 -25.969 10.990 -5.369 1.00 0.00 N ATOM 1429 CZ ARG A 87 -26.550 9.903 -4.873 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -26.024 8.706 -5.096 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -27.658 10.011 -4.151 1.00 0.00 N ATOM 0 H ARG A 87 -21.798 14.179 -5.837 1.00 0.00 H new ATOM 0 HA ARG A 87 -21.825 11.410 -5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -22.676 13.185 -7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -22.822 11.442 -7.746 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -23.956 12.756 -5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -24.800 13.007 -6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -24.980 10.575 -7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -24.035 10.272 -5.721 1.00 0.00 H new ATOM 0 HE ARG A 87 -26.398 11.895 -5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -25.172 8.619 -5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -26.472 7.873 -4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -28.065 10.930 -3.976 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -28.103 9.175 -3.771 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.774 12.416 -7.720 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.634 12.011 -8.533 1.00 0.00 C ATOM 1447 C PHE A 88 -17.513 11.453 -7.660 1.00 0.00 C ATOM 1448 O PHE A 88 -17.060 10.327 -7.858 1.00 0.00 O ATOM 1449 CB PHE A 88 -18.116 13.196 -9.351 1.00 0.00 C ATOM 1450 CG PHE A 88 -16.862 12.891 -10.121 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -16.794 11.780 -10.946 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -15.754 13.716 -10.020 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -15.642 11.497 -11.655 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -14.599 13.438 -10.726 1.00 0.00 C ATOM 1455 CZ PHE A 88 -14.543 12.328 -11.545 1.00 0.00 C ATOM 0 H PHE A 88 -20.037 13.396 -7.820 1.00 0.00 H new ATOM 0 HA PHE A 88 -18.966 11.226 -9.213 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.892 13.513 -10.047 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -17.926 14.035 -8.681 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.650 11.128 -11.036 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -15.793 14.587 -9.382 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.600 10.628 -12.294 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.741 14.088 -10.637 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.642 12.109 -12.099 1.00 0.00 H new ATOM 1465 N ASN A 89 -17.072 12.251 -6.693 1.00 0.00 N ATOM 1466 CA ASN A 89 -16.005 11.838 -5.790 1.00 0.00 C ATOM 1467 C ASN A 89 -16.405 10.591 -5.007 1.00 0.00 C ATOM 1468 O ASN A 89 -15.605 9.672 -4.831 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.660 12.972 -4.821 1.00 0.00 C ATOM 1470 CG ASN A 89 -15.239 14.239 -5.541 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -15.199 14.283 -6.772 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -14.921 15.276 -4.776 1.00 0.00 N ATOM 0 H ASN A 89 -17.437 13.187 -6.515 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.127 11.602 -6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.525 13.185 -4.192 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -14.856 12.649 -4.159 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -14.629 16.155 -5.204 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -14.969 15.194 -3.760 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.649 10.567 -4.541 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.156 9.434 -3.776 1.00 0.00 C ATOM 1481 C TYR A 90 -18.137 8.159 -4.613 1.00 0.00 C ATOM 1482 O TYR A 90 -17.704 7.104 -4.149 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.578 9.716 -3.288 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.631 10.467 -1.977 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.716 11.475 -1.694 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.595 10.169 -1.022 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.759 12.163 -0.497 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.646 10.854 0.177 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.727 11.849 0.435 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.775 12.532 1.628 1.00 0.00 O ATOM 0 H TYR A 90 -18.324 11.319 -4.680 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.505 9.291 -2.914 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -20.106 10.291 -4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.109 8.771 -3.177 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -17.959 11.724 -2.423 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.316 9.390 -1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.039 12.942 -0.292 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.402 10.611 0.909 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.418 12.099 2.227 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.611 8.264 -5.851 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.649 7.120 -6.754 1.00 0.00 C ATOM 1502 C GLU A 91 -17.250 6.552 -6.972 1.00 0.00 C ATOM 1503 O GLU A 91 -17.013 5.362 -6.764 1.00 0.00 O ATOM 1504 CB GLU A 91 -19.262 7.522 -8.098 1.00 0.00 C ATOM 1505 CG GLU A 91 -19.874 6.359 -8.860 1.00 0.00 C ATOM 1506 CD GLU A 91 -20.631 6.805 -10.095 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -20.499 7.987 -10.477 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -21.356 5.973 -10.680 1.00 0.00 O ATOM 0 H GLU A 91 -18.974 9.129 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.269 6.349 -6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.029 8.277 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.492 7.985 -8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.085 5.666 -9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.550 5.813 -8.201 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.327 7.412 -7.390 1.00 0.00 N ATOM 1516 CA GLU A 92 -14.951 6.995 -7.637 1.00 0.00 C ATOM 1517 C GLU A 92 -14.318 6.430 -6.369 1.00 0.00 C ATOM 1518 O GLU A 92 -13.705 5.363 -6.389 1.00 0.00 O ATOM 1519 CB GLU A 92 -14.122 8.172 -8.154 1.00 0.00 C ATOM 1520 CG GLU A 92 -12.851 7.753 -8.873 1.00 0.00 C ATOM 1521 CD GLU A 92 -13.083 7.444 -10.338 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -13.160 8.399 -11.141 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -13.189 6.249 -10.684 1.00 0.00 O ATOM 0 H GLU A 92 -16.506 8.401 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.967 6.212 -8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.734 8.766 -8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.859 8.816 -7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.110 8.548 -8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.434 6.874 -8.382 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.469 7.156 -5.266 1.00 0.00 N ATOM 1531 CA ALA A 93 -13.913 6.729 -3.988 1.00 0.00 C ATOM 1532 C ALA A 93 -14.322 5.297 -3.663 1.00 0.00 C ATOM 1533 O ALA A 93 -13.479 4.462 -3.333 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.357 7.671 -2.878 1.00 0.00 C ATOM 0 H ALA A 93 -14.972 8.043 -5.232 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.826 6.761 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.934 7.340 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.010 8.681 -3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.445 7.668 -2.811 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.617 5.020 -3.760 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.136 3.687 -3.474 1.00 0.00 C ATOM 1542 C GLN A 94 -15.613 2.671 -4.484 1.00 0.00 C ATOM 1543 O GLN A 94 -15.350 1.518 -4.143 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.666 3.698 -3.490 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.281 4.469 -2.333 1.00 0.00 C ATOM 1546 CD GLN A 94 -19.706 4.044 -2.042 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.008 3.542 -0.958 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -20.594 4.245 -3.009 1.00 0.00 N ATOM 0 H GLN A 94 -16.327 5.700 -4.034 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.792 3.396 -2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.008 4.134 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.029 2.670 -3.465 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -17.673 4.324 -1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -18.263 5.535 -2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -20.301 4.664 -3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.569 3.981 -2.869 1.00 0.00 H new ATOM 1557 N THR A 95 -15.463 3.108 -5.732 1.00 0.00 N ATOM 1558 CA THR A 95 -14.972 2.236 -6.791 1.00 0.00 C ATOM 1559 C THR A 95 -13.591 1.687 -6.457 1.00 0.00 C ATOM 1560 O THR A 95 -13.364 0.476 -6.507 1.00 0.00 O ATOM 1561 CB THR A 95 -14.904 2.977 -8.141 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.195 3.498 -8.479 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.421 2.048 -9.244 1.00 0.00 C ATOM 0 H THR A 95 -15.675 4.059 -6.032 1.00 0.00 H new ATOM 0 HA THR A 95 -15.678 1.409 -6.872 1.00 0.00 H new ATOM 0 HB THR A 95 -14.195 3.799 -8.045 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.435 4.211 -7.850 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.381 2.593 -10.187 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.426 1.676 -8.997 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.109 1.208 -9.339 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.671 2.581 -6.114 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.310 2.184 -5.769 1.00 0.00 C ATOM 1573 C LEU A 96 -11.289 1.372 -4.479 1.00 0.00 C ATOM 1574 O LEU A 96 -10.598 0.358 -4.382 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.419 3.419 -5.623 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.129 4.194 -6.908 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.318 5.445 -6.606 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.396 3.312 -7.909 1.00 0.00 C ATOM 0 H LEU A 96 -12.842 3.585 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 96 -10.925 1.559 -6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.888 4.098 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.469 3.107 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.079 4.498 -7.348 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.121 5.984 -7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.878 6.086 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.373 5.163 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.198 3.880 -8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.453 2.978 -7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.012 2.446 -8.150 1.00 0.00 H new ATOM 1590 N SER A 97 -12.053 1.825 -3.489 1.00 0.00 N ATOM 1591 CA SER A 97 -12.121 1.140 -2.203 1.00 0.00 C ATOM 1592 C SER A 97 -12.627 -0.288 -2.373 1.00 0.00 C ATOM 1593 O SER A 97 -12.097 -1.223 -1.773 1.00 0.00 O ATOM 1594 CB SER A 97 -13.035 1.905 -1.243 1.00 0.00 C ATOM 1595 OG SER A 97 -14.362 1.413 -1.301 1.00 0.00 O ATOM 0 H SER A 97 -12.633 2.662 -3.553 1.00 0.00 H new ATOM 0 HA SER A 97 -11.115 1.103 -1.786 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.655 1.816 -0.225 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.026 2.966 -1.495 1.00 0.00 H new ATOM 0 HG SER A 97 -14.718 1.537 -2.206 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.657 -0.451 -3.197 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.236 -1.765 -3.451 1.00 0.00 C ATOM 1603 C LYS A 98 -13.233 -2.676 -4.151 1.00 0.00 C ATOM 1604 O LYS A 98 -13.006 -3.809 -3.725 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.502 -1.632 -4.301 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.730 -1.231 -3.504 1.00 0.00 C ATOM 1607 CD LYS A 98 -18.004 -1.416 -4.312 1.00 0.00 C ATOM 1608 CE LYS A 98 -18.058 -0.461 -5.494 1.00 0.00 C ATOM 1609 NZ LYS A 98 -17.488 -1.070 -6.727 1.00 0.00 N ATOM 0 H LYS A 98 -14.108 0.312 -3.701 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.496 -2.211 -2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.329 -0.892 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.697 -2.582 -4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.785 -1.828 -2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.641 -0.189 -3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -18.063 -2.444 -4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -18.870 -1.252 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -19.092 -0.169 -5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.509 0.449 -5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -16.682 -0.500 -7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.167 -2.037 -6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.216 -1.099 -7.469 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.634 -2.173 -5.226 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.654 -2.941 -5.984 1.00 0.00 C ATOM 1625 C ILE A 99 -10.509 -3.404 -5.090 1.00 0.00 C ATOM 1626 O ILE A 99 -10.117 -4.571 -5.118 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.079 -2.121 -7.153 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.198 -1.699 -8.109 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.019 -2.924 -7.893 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -11.907 -0.414 -8.851 1.00 0.00 C ATOM 0 H ILE A 99 -12.810 -1.237 -5.591 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.175 -3.811 -6.383 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.612 -1.222 -6.751 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.366 -2.497 -8.833 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.122 -1.581 -7.544 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.622 -2.331 -8.717 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.211 -3.179 -7.207 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.464 -3.838 -8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.743 -0.177 -9.510 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.768 0.396 -8.135 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.000 -0.534 -9.444 1.00 0.00 H new ATOM 1642 N LEU A 100 -9.976 -2.481 -4.296 1.00 0.00 N ATOM 1643 CA LEU A 100 -8.876 -2.793 -3.390 1.00 0.00 C ATOM 1644 C LEU A 100 -9.288 -3.859 -2.380 1.00 0.00 C ATOM 1645 O LEU A 100 -8.557 -4.822 -2.144 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.416 -1.531 -2.660 1.00 0.00 C ATOM 1647 CG LEU A 100 -7.105 -1.646 -1.880 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -7.322 -2.407 -0.581 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -6.040 -2.325 -2.727 1.00 0.00 C ATOM 0 H LEU A 100 -10.288 -1.511 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.049 -3.182 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.311 -0.730 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.202 -1.229 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.760 -0.642 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.379 -2.479 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.053 -1.880 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.690 -3.409 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.114 -2.399 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.377 -3.324 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.865 -1.739 -3.629 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.463 -3.681 -1.788 1.00 0.00 N ATOM 1662 CA LEU A 101 -10.975 -4.629 -0.804 1.00 0.00 C ATOM 1663 C LEU A 101 -11.002 -6.043 -1.372 1.00 0.00 C ATOM 1664 O LEU A 101 -10.525 -6.987 -0.741 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.380 -4.221 -0.356 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.454 -3.110 0.693 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -13.902 -2.778 1.018 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -11.701 -3.515 1.953 1.00 0.00 C ATOM 0 H LEU A 101 -11.080 -2.889 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.307 -4.616 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.941 -3.902 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.883 -5.102 0.041 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.982 -2.217 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -13.935 -1.986 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -14.411 -2.444 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -14.400 -3.666 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.764 -2.713 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.144 -4.421 2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.655 -3.701 1.708 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.561 -6.185 -2.570 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.647 -7.483 -3.226 1.00 0.00 C ATOM 1682 C LYS A 102 -10.259 -8.075 -3.446 1.00 0.00 C ATOM 1683 O LYS A 102 -9.994 -9.217 -3.072 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.376 -7.352 -4.566 1.00 0.00 C ATOM 1685 CG LYS A 102 -12.503 -8.665 -5.319 1.00 0.00 C ATOM 1686 CD LYS A 102 -13.136 -8.464 -6.685 1.00 0.00 C ATOM 1687 CE LYS A 102 -12.159 -7.834 -7.666 1.00 0.00 C ATOM 1688 NZ LYS A 102 -12.647 -7.924 -9.070 1.00 0.00 N ATOM 0 H LYS A 102 -11.961 -5.415 -3.106 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.209 -8.154 -2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.372 -6.946 -4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.845 -6.634 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.517 -9.115 -5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.105 -9.363 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.476 -9.424 -7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.017 -7.829 -6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.003 -6.788 -7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.192 -8.331 -7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.953 -7.484 -9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.772 -8.923 -9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.557 -7.428 -9.154 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.376 -7.290 -4.054 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.013 -7.736 -4.322 1.00 0.00 C ATOM 1704 C ASP A 103 -7.339 -8.218 -3.042 1.00 0.00 C ATOM 1705 O ASP A 103 -6.710 -9.278 -3.019 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.198 -6.604 -4.947 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.269 -6.607 -6.462 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -6.981 -7.662 -7.066 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -7.611 -5.556 -7.043 1.00 0.00 O ATOM 0 H ASP A 103 -9.579 -6.342 -4.371 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.060 -8.569 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.562 -5.648 -4.571 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.158 -6.694 -4.635 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.471 -7.435 -1.978 1.00 0.00 N ATOM 1715 CA LEU A 104 -6.873 -7.781 -0.692 1.00 0.00 C ATOM 1716 C LEU A 104 -7.383 -9.132 -0.201 1.00 0.00 C ATOM 1717 O LEU A 104 -6.598 -10.011 0.158 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.183 -6.699 0.344 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.020 -6.283 1.246 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -4.855 -5.770 0.413 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -6.471 -5.226 2.244 1.00 0.00 C ATOM 0 H LEU A 104 -7.987 -6.555 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.793 -7.848 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.545 -5.815 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.999 -7.051 0.975 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.685 -7.159 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.037 -5.479 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.516 -6.556 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.177 -4.907 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.631 -4.942 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.833 -4.349 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.272 -5.629 2.863 1.00 0.00 H new ATOM 1733 N LYS A 105 -8.701 -9.294 -0.191 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.318 -10.538 0.252 1.00 0.00 C ATOM 1735 C LYS A 105 -8.733 -11.731 -0.497 1.00 0.00 C ATOM 1736 O LYS A 105 -8.321 -12.718 0.112 1.00 0.00 O ATOM 1737 CB LYS A 105 -10.833 -10.485 0.043 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.550 -9.573 1.024 1.00 0.00 C ATOM 1739 CD LYS A 105 -12.928 -9.182 0.516 1.00 0.00 C ATOM 1740 CE LYS A 105 -13.971 -10.227 0.881 1.00 0.00 C ATOM 1741 NZ LYS A 105 -15.295 -9.925 0.269 1.00 0.00 N ATOM 0 H LYS A 105 -9.364 -8.577 -0.486 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.109 -10.659 1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.040 -10.147 -0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.239 -11.492 0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.645 -10.075 1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.954 -8.676 1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.213 -8.218 0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.897 -9.059 -0.567 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.633 -11.209 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.074 -10.274 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.979 -10.660 0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.630 -8.999 0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.202 -9.905 -0.767 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.698 -11.633 -1.823 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.163 -12.705 -2.654 1.00 0.00 C ATOM 1757 C GLU A 106 -6.731 -13.045 -2.248 1.00 0.00 C ATOM 1758 O GLU A 106 -6.399 -14.207 -2.014 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.203 -12.304 -4.130 1.00 0.00 C ATOM 1760 CG GLU A 106 -8.180 -13.488 -5.083 1.00 0.00 C ATOM 1761 CD GLU A 106 -9.558 -14.080 -5.309 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -10.441 -13.875 -4.452 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -9.752 -14.749 -6.346 1.00 0.00 O ATOM 0 H GLU A 106 -9.034 -10.823 -2.344 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.784 -13.588 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.103 -11.717 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.352 -11.658 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.763 -13.172 -6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.519 -14.258 -4.685 1.00 0.00 H new ATOM 1770 N THR A 107 -5.886 -12.022 -2.166 1.00 0.00 N ATOM 1771 CA THR A 107 -4.491 -12.211 -1.790 1.00 0.00 C ATOM 1772 C THR A 107 -4.373 -13.013 -0.499 1.00 0.00 C ATOM 1773 O THR A 107 -3.674 -14.024 -0.447 1.00 0.00 O ATOM 1774 CB THR A 107 -3.769 -10.862 -1.610 1.00 0.00 C ATOM 1775 OG1 THR A 107 -4.009 -10.023 -2.746 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.273 -11.068 -1.432 1.00 0.00 C ATOM 0 H THR A 107 -6.144 -11.053 -2.355 1.00 0.00 H new ATOM 0 HA THR A 107 -4.018 -12.763 -2.602 1.00 0.00 H new ATOM 0 HB THR A 107 -4.162 -10.381 -0.714 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.277 -10.126 -3.389 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.785 -10.101 -1.307 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.093 -11.682 -0.550 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.867 -11.568 -2.312 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.063 -12.556 0.542 1.00 0.00 N ATOM 1785 CA GLU A 108 -5.034 -13.232 1.833 1.00 0.00 C ATOM 1786 C GLU A 108 -5.415 -14.703 1.686 1.00 0.00 C ATOM 1787 O GLU A 108 -4.701 -15.588 2.156 1.00 0.00 O ATOM 1788 CB GLU A 108 -5.985 -12.544 2.816 1.00 0.00 C ATOM 1789 CG GLU A 108 -5.775 -12.964 4.261 1.00 0.00 C ATOM 1790 CD GLU A 108 -4.777 -12.082 4.985 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -5.063 -10.879 5.159 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -3.708 -12.595 5.378 1.00 0.00 O ATOM 0 H GLU A 108 -5.648 -11.721 0.516 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.017 -13.174 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.856 -11.464 2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.013 -12.764 2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.729 -12.934 4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.428 -13.997 4.289 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.543 -14.952 1.030 1.00 0.00 N ATOM 1800 CA GLN A 109 -7.019 -16.315 0.822 1.00 0.00 C ATOM 1801 C GLN A 109 -5.911 -17.199 0.258 1.00 0.00 C ATOM 1802 O GLN A 109 -5.633 -18.276 0.787 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.221 -16.318 -0.125 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.021 -17.611 -0.088 1.00 0.00 C ATOM 1805 CD GLN A 109 -10.517 -17.371 -0.040 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -10.983 -16.402 0.561 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -11.279 -18.253 -0.676 1.00 0.00 N ATOM 0 H GLN A 109 -7.144 -14.229 0.634 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.324 -16.718 1.788 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.878 -15.487 0.132 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.872 -16.146 -1.143 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.781 -18.208 -0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.722 -18.194 0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.850 -19.041 -1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.293 -18.142 -0.679 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.281 -16.737 -0.816 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.202 -17.484 -1.451 1.00 0.00 C ATOM 1818 C LYS A 110 -3.076 -17.763 -0.460 1.00 0.00 C ATOM 1819 O LYS A 110 -2.580 -18.886 -0.368 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.657 -16.709 -2.653 1.00 0.00 C ATOM 1821 CG LYS A 110 -4.656 -16.561 -3.786 1.00 0.00 C ATOM 1822 CD LYS A 110 -4.672 -17.789 -4.681 1.00 0.00 C ATOM 1823 CE LYS A 110 -5.832 -17.749 -5.662 1.00 0.00 C ATOM 1824 NZ LYS A 110 -5.822 -18.922 -6.580 1.00 0.00 N ATOM 0 H LYS A 110 -5.499 -15.848 -1.266 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.606 -18.437 -1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.344 -15.718 -2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.768 -17.216 -3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.652 -16.397 -3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.407 -15.681 -4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.732 -17.853 -5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.744 -18.687 -4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.773 -17.726 -5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.782 -16.830 -6.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.628 -18.858 -7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.935 -18.930 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.895 -19.798 -6.025 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.679 -16.734 0.283 1.00 0.00 N ATOM 1839 CA VAL A 111 -1.615 -16.870 1.270 1.00 0.00 C ATOM 1840 C VAL A 111 -1.985 -17.890 2.341 1.00 0.00 C ATOM 1841 O VAL A 111 -1.290 -18.889 2.531 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.300 -15.522 1.946 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -0.229 -15.696 3.012 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -0.871 -14.494 0.910 1.00 0.00 C ATOM 0 H VAL A 111 -3.078 -15.798 0.220 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.730 -17.215 0.735 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.206 -15.159 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.020 -14.733 3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.580 -16.397 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.681 -16.082 2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.652 -13.548 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.021 -14.848 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.674 -14.348 0.188 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.084 -17.631 3.041 1.00 0.00 N ATOM 1855 CA LYS A 112 -3.551 -18.526 4.093 1.00 0.00 C ATOM 1856 C LYS A 112 -3.838 -19.917 3.537 1.00 0.00 C ATOM 1857 O LYS A 112 -3.847 -20.902 4.276 1.00 0.00 O ATOM 1858 CB LYS A 112 -4.810 -17.959 4.753 1.00 0.00 C ATOM 1859 CG LYS A 112 -6.100 -18.426 4.103 1.00 0.00 C ATOM 1860 CD LYS A 112 -7.187 -17.369 4.196 1.00 0.00 C ATOM 1861 CE LYS A 112 -7.843 -17.364 5.569 1.00 0.00 C ATOM 1862 NZ LYS A 112 -6.954 -16.773 6.607 1.00 0.00 N ATOM 0 H LYS A 112 -3.669 -16.807 2.899 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.762 -18.609 4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -4.819 -18.245 5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.769 -16.870 4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.914 -18.667 3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.440 -19.342 4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.760 -16.387 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.942 -17.553 3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.774 -16.799 5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.102 -18.384 5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.531 -16.281 7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.407 -17.529 7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.302 -16.096 6.161 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.072 -19.990 2.232 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.357 -21.261 1.576 1.00 0.00 C ATOM 1878 C ASP A 113 -3.095 -22.111 1.466 1.00 0.00 C ATOM 1879 O ASP A 113 -3.088 -23.281 1.848 1.00 0.00 O ATOM 1880 CB ASP A 113 -4.948 -21.021 0.186 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.196 -22.312 -0.569 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -6.028 -23.120 -0.106 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -4.559 -22.515 -1.623 1.00 0.00 O ATOM 0 H ASP A 113 -4.070 -19.184 1.607 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.084 -21.800 2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.886 -20.474 0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.270 -20.391 -0.390 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.030 -21.515 0.941 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.763 -22.217 0.781 1.00 0.00 C ATOM 1890 C ILE A 114 -0.266 -22.766 2.114 1.00 0.00 C ATOM 1891 O ILE A 114 -0.269 -22.064 3.124 1.00 0.00 O ATOM 1892 CB ILE A 114 0.319 -21.299 0.182 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.268 -21.344 -1.347 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.696 -21.705 0.683 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.952 -20.667 -1.931 1.00 0.00 C ATOM 0 H ILE A 114 -2.019 -20.547 0.619 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.946 -23.044 0.095 1.00 0.00 H new ATOM 0 HB ILE A 114 0.124 -20.276 0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.164 -20.868 -1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.287 -22.384 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.449 -21.047 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.726 -21.626 1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.901 -22.734 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.922 -20.737 -3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.852 -21.157 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.962 -19.618 -1.636 1.00 0.00 H new ATOM 1907 N GLN A 115 0.160 -24.024 2.108 1.00 0.00 N ATOM 1908 CA GLN A 115 0.660 -24.667 3.317 1.00 0.00 C ATOM 1909 C GLN A 115 2.179 -24.560 3.402 1.00 0.00 C ATOM 1910 O GLN A 115 2.878 -24.659 2.391 1.00 0.00 O ATOM 1911 CB GLN A 115 0.238 -26.137 3.351 1.00 0.00 C ATOM 1912 CG GLN A 115 0.739 -26.942 2.162 1.00 0.00 C ATOM 1913 CD GLN A 115 -0.315 -27.878 1.606 1.00 0.00 C ATOM 1914 OE1 GLN A 115 -1.214 -27.458 0.878 1.00 0.00 O ATOM 1915 NE2 GLN A 115 -0.210 -29.158 1.949 1.00 0.00 N ATOM 0 H GLN A 115 0.169 -24.619 1.279 1.00 0.00 H new ATOM 0 HA GLN A 115 0.229 -24.153 4.176 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.609 -26.592 4.269 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.850 -26.193 3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.064 -26.259 1.377 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.612 -27.521 2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.552 -29.463 2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -0.891 -29.835 1.606 1.00 0.00 H new ATOM 1924 N THR A 116 2.687 -24.356 4.613 1.00 0.00 N ATOM 1925 CA THR A 116 4.124 -24.234 4.830 1.00 0.00 C ATOM 1926 C THR A 116 4.528 -24.819 6.178 1.00 0.00 C ATOM 1927 O THR A 116 3.696 -25.367 6.901 1.00 0.00 O ATOM 1928 CB THR A 116 4.578 -22.763 4.764 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.958 -22.011 5.814 1.00 0.00 O ATOM 1930 CG2 THR A 116 4.227 -22.148 3.418 1.00 0.00 C ATOM 0 H THR A 116 2.124 -24.272 5.460 1.00 0.00 H new ATOM 0 HA THR A 116 4.613 -24.794 4.033 1.00 0.00 H new ATOM 0 HB THR A 116 5.661 -22.734 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 116 3.695 -21.130 5.474 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.557 -21.109 3.395 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.724 -22.704 2.623 1.00 0.00 H new ATOM 0 HG23 THR A 116 3.148 -22.189 3.270 1.00 0.00 H new ATOM 1938 N GLN A 117 5.809 -24.698 6.510 1.00 0.00 N ATOM 1939 CA GLN A 117 6.323 -25.216 7.772 1.00 0.00 C ATOM 1940 C GLN A 117 6.866 -24.088 8.643 1.00 0.00 C ATOM 1941 O GLN A 117 7.495 -24.332 9.673 1.00 0.00 O ATOM 1942 CB GLN A 117 7.419 -26.251 7.514 1.00 0.00 C ATOM 1943 CG GLN A 117 6.909 -27.532 6.876 1.00 0.00 C ATOM 1944 CD GLN A 117 6.398 -28.528 7.897 1.00 0.00 C ATOM 1945 OE1 GLN A 117 7.159 -29.042 8.717 1.00 0.00 O ATOM 1946 NE2 GLN A 117 5.099 -28.808 7.853 1.00 0.00 N ATOM 0 H GLN A 117 6.510 -24.246 5.923 1.00 0.00 H new ATOM 0 HA GLN A 117 5.499 -25.694 8.302 1.00 0.00 H new ATOM 0 HB2 GLN A 117 8.178 -25.810 6.868 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.907 -26.494 8.458 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.109 -27.291 6.176 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.711 -27.990 6.297 1.00 0.00 H new ATOM 0 HE21 GLN A 117 4.504 -28.359 7.157 1.00 0.00 H new ATOM 0 HE22 GLN A 117 4.698 -29.472 8.515 1.00 0.00 H new