USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 802 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= 2.17 K(o=3.4,f=-2) USER MOD Set 1.2: A 116 THR OG1 : rot -134:sc= 1.22 USER MOD Set 2.1: A 70 GLN : amide:sc= -3.1! C(o=-2.4!,f=-3.3!) USER MOD Set 2.2: A 97 SER OG : rot -87:sc= 0.736 USER MOD Set 3.1: A 35 TYR OH : rot -96:sc= 0.511 USER MOD Set 3.2: A 39 GLN : amide:sc= -0.721 X(o=-0.21,f=0.26) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.687 K(o=-0.69,f=0) USER MOD Single : A 24 HIS : no HE2:sc= 0.906 K(o=0.91,f=-3.7!) USER MOD Single : A 28 LYS NZ :NH3+ -129:sc= -0.262 (180deg=-1.56!) USER MOD Single : A 31 HIS : no HD1:sc= -1.48! C(o=-1.5!,f=-2.5!) USER MOD Single : A 32 GLN : amide:sc= -2.61! K(o=-2.6!,f=-0.54) USER MOD Single : A 37 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.4) USER MOD Single : A 38 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.1!) USER MOD Single : A 44 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.2) USER MOD Single : A 46 ASN : amide:sc= 0.835 K(o=0.83,f=-0.22) USER MOD Single : A 47 LYS NZ :NH3+ -130:sc= 1.06 (180deg=-0.0851) USER MOD Single : A 48 SER OG : rot 180:sc= 0.384 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc=-0.00391 (180deg=-0.116) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -106:sc= -0.111 (180deg=-1.56) USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= -0.0194 (180deg=-0.179) USER MOD Single : A 89 ASN : amide:sc= 0.0959 K(o=0.096,f=-0.81) USER MOD Single : A 90 TYR OH : rot 36:sc= 1.21 USER MOD Single : A 94 GLN : amide:sc= 1.35 K(o=1.4,f=-0.11) USER MOD Single : A 95 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= -0.0138 (180deg=-0.192) USER MOD Single : A 102 LYS NZ :NH3+ -103:sc= 1.15 (180deg=-0.769) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 71:sc= 0.267 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 110 LYS NZ :NH3+ 174:sc= 0.732 (180deg=0.664) USER MOD Single : A 112 LYS NZ :NH3+ -170:sc=-0.00839 (180deg=-0.159) USER MOD Single : A 115 GLN : amide:sc=-0.00996 K(o=-0.01,f=-0.81) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 297 N LEU A 18 1.613 17.972 -0.350 1.00 0.00 N ATOM 298 CA LEU A 18 0.622 16.896 -0.390 1.00 0.00 C ATOM 299 C LEU A 18 1.087 15.741 -1.267 1.00 0.00 C ATOM 300 O LEU A 18 1.068 14.574 -0.847 1.00 0.00 O ATOM 301 CB LEU A 18 -0.714 17.444 -0.892 1.00 0.00 C ATOM 302 CG LEU A 18 -1.308 18.586 -0.061 1.00 0.00 C ATOM 303 CD1 LEU A 18 -2.500 19.201 -0.770 1.00 0.00 C ATOM 304 CD2 LEU A 18 -1.708 18.090 1.321 1.00 0.00 C ATOM 0 HA LEU A 18 0.497 16.509 0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.583 17.792 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.434 16.627 -0.923 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.545 19.355 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.907 20.010 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.185 19.595 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.266 18.440 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.128 18.915 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.453 17.300 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.830 17.699 1.835 1.00 0.00 H new ATOM 316 N ILE A 19 1.517 16.070 -2.477 1.00 0.00 N ATOM 317 CA ILE A 19 2.010 15.071 -3.413 1.00 0.00 C ATOM 318 C ILE A 19 3.208 14.311 -2.834 1.00 0.00 C ATOM 319 O ILE A 19 3.357 13.119 -3.070 1.00 0.00 O ATOM 320 CB ILE A 19 2.369 15.710 -4.789 1.00 0.00 C ATOM 321 CG1 ILE A 19 1.093 16.056 -5.550 1.00 0.00 C ATOM 322 CG2 ILE A 19 3.233 14.785 -5.632 1.00 0.00 C ATOM 323 CD1 ILE A 19 0.243 14.841 -5.878 1.00 0.00 C ATOM 0 H ILE A 19 1.534 17.025 -2.834 1.00 0.00 H new ATOM 0 HA ILE A 19 1.206 14.354 -3.578 1.00 0.00 H new ATOM 0 HB ILE A 19 2.941 16.617 -4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.503 16.755 -4.957 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.357 16.567 -6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.461 15.267 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.161 14.570 -5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.697 13.854 -5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.649 15.156 -6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.818 14.151 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.050 14.342 -4.954 1.00 0.00 H new ATOM 335 N GLU A 20 4.022 14.999 -2.042 1.00 0.00 N ATOM 336 CA GLU A 20 5.197 14.391 -1.415 1.00 0.00 C ATOM 337 C GLU A 20 4.768 13.218 -0.539 1.00 0.00 C ATOM 338 O GLU A 20 5.283 12.107 -0.675 1.00 0.00 O ATOM 339 CB GLU A 20 5.918 15.424 -0.556 1.00 0.00 C ATOM 340 CG GLU A 20 7.431 15.262 -0.464 1.00 0.00 C ATOM 341 CD GLU A 20 7.870 13.857 -0.099 1.00 0.00 C ATOM 342 OE1 GLU A 20 7.823 13.504 1.097 1.00 0.00 O ATOM 343 OE2 GLU A 20 8.264 13.100 -1.007 1.00 0.00 O ATOM 0 H GLU A 20 3.891 15.985 -1.816 1.00 0.00 H new ATOM 0 HA GLU A 20 5.869 14.035 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.700 16.416 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.504 15.385 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.876 15.536 -1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.818 15.959 0.279 1.00 0.00 H new ATOM 350 N GLN A 21 3.804 13.471 0.350 1.00 0.00 N ATOM 351 CA GLN A 21 3.311 12.430 1.256 1.00 0.00 C ATOM 352 C GLN A 21 2.732 11.246 0.481 1.00 0.00 C ATOM 353 O GLN A 21 2.937 10.082 0.852 1.00 0.00 O ATOM 354 CB GLN A 21 2.267 12.985 2.225 1.00 0.00 C ATOM 355 CG GLN A 21 2.804 14.036 3.182 1.00 0.00 C ATOM 356 CD GLN A 21 1.804 14.394 4.264 1.00 0.00 C ATOM 357 OE1 GLN A 21 1.786 13.786 5.335 1.00 0.00 O ATOM 358 NE2 GLN A 21 0.963 15.373 3.992 1.00 0.00 N ATOM 0 H GLN A 21 3.353 14.379 0.462 1.00 0.00 H new ATOM 0 HA GLN A 21 4.165 12.078 1.835 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.448 13.417 1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.850 12.161 2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.720 13.669 3.644 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.067 14.933 2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.011 15.852 3.092 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.265 15.652 4.681 1.00 0.00 H new ATOM 367 N ALA A 22 2.042 11.544 -0.616 1.00 0.00 N ATOM 368 CA ALA A 22 1.431 10.501 -1.428 1.00 0.00 C ATOM 369 C ALA A 22 2.512 9.729 -2.186 1.00 0.00 C ATOM 370 O ALA A 22 2.443 8.509 -2.341 1.00 0.00 O ATOM 371 CB ALA A 22 0.428 11.108 -2.401 1.00 0.00 C ATOM 0 H ALA A 22 1.894 12.493 -0.960 1.00 0.00 H new ATOM 0 HA ALA A 22 0.900 9.809 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.021 10.317 -3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.352 11.627 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.938 11.815 -3.055 1.00 0.00 H new ATOM 377 N ASN A 23 3.514 10.475 -2.639 1.00 0.00 N ATOM 378 CA ASN A 23 4.651 9.906 -3.360 1.00 0.00 C ATOM 379 C ASN A 23 5.444 8.984 -2.466 1.00 0.00 C ATOM 380 O ASN A 23 5.972 7.975 -2.916 1.00 0.00 O ATOM 381 CB ASN A 23 5.566 10.996 -3.931 1.00 0.00 C ATOM 382 CG ASN A 23 5.133 11.477 -5.305 1.00 0.00 C ATOM 383 OD1 ASN A 23 5.963 11.863 -6.128 1.00 0.00 O ATOM 384 ND2 ASN A 23 3.841 11.462 -5.565 1.00 0.00 N ATOM 0 H ASN A 23 3.563 11.487 -2.518 1.00 0.00 H new ATOM 0 HA ASN A 23 4.248 9.333 -4.195 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.584 11.843 -3.245 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.585 10.612 -3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.500 11.777 -6.473 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.182 11.135 -4.858 1.00 0.00 H new ATOM 391 N HIS A 24 5.523 9.327 -1.194 1.00 0.00 N ATOM 392 CA HIS A 24 6.236 8.501 -0.252 1.00 0.00 C ATOM 393 C HIS A 24 5.523 7.175 -0.027 1.00 0.00 C ATOM 394 O HIS A 24 6.161 6.118 -0.028 1.00 0.00 O ATOM 395 CB HIS A 24 6.466 9.222 1.078 1.00 0.00 C ATOM 396 CG HIS A 24 7.899 9.583 1.327 1.00 0.00 C ATOM 397 ND1 HIS A 24 8.386 10.871 1.251 1.00 0.00 N ATOM 398 CD2 HIS A 24 8.956 8.808 1.666 1.00 0.00 C ATOM 399 CE1 HIS A 24 9.673 10.870 1.533 1.00 0.00 C ATOM 400 NE2 HIS A 24 10.043 9.632 1.789 1.00 0.00 N ATOM 0 H HIS A 24 5.104 10.167 -0.796 1.00 0.00 H new ATOM 0 HA HIS A 24 7.213 8.293 -0.689 1.00 0.00 H new ATOM 0 HB2 HIS A 24 5.863 10.130 1.098 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.114 8.587 1.891 1.00 0.00 H new ATOM 0 HD1 HIS A 24 7.835 11.696 1.013 1.00 0.00 H new ATOM 0 HD2 HIS A 24 8.944 7.738 1.812 1.00 0.00 H new ATOM 0 HE1 HIS A 24 10.316 11.738 1.551 1.00 0.00 H new ATOM 409 N ALA A 25 4.203 7.214 0.174 1.00 0.00 N ATOM 410 CA ALA A 25 3.424 5.994 0.373 1.00 0.00 C ATOM 411 C ALA A 25 3.492 5.048 -0.829 1.00 0.00 C ATOM 412 O ALA A 25 3.694 3.848 -0.662 1.00 0.00 O ATOM 413 CB ALA A 25 1.979 6.339 0.690 1.00 0.00 C ATOM 0 H ALA A 25 3.656 8.074 0.203 1.00 0.00 H new ATOM 0 HA ALA A 25 3.867 5.467 1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.409 5.421 0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.939 6.939 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.550 6.904 -0.137 1.00 0.00 H new ATOM 419 N ILE A 26 3.318 5.574 -2.037 1.00 0.00 N ATOM 420 CA ILE A 26 3.375 4.720 -3.223 1.00 0.00 C ATOM 421 C ILE A 26 4.768 4.114 -3.386 1.00 0.00 C ATOM 422 O ILE A 26 4.910 2.967 -3.798 1.00 0.00 O ATOM 423 CB ILE A 26 2.951 5.456 -4.524 1.00 0.00 C ATOM 424 CG1 ILE A 26 3.829 6.686 -4.776 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.481 5.853 -4.450 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.536 7.394 -6.084 1.00 0.00 C ATOM 0 H ILE A 26 3.141 6.561 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 26 2.650 3.922 -3.062 1.00 0.00 H new ATOM 0 HB ILE A 26 3.088 4.772 -5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.694 7.390 -3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.875 6.381 -4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.197 6.368 -5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.868 4.959 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.326 6.516 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.198 8.253 -6.189 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.699 6.707 -6.914 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.500 7.732 -6.091 1.00 0.00 H new ATOM 438 N GLU A 27 5.785 4.894 -3.028 1.00 0.00 N ATOM 439 CA GLU A 27 7.169 4.437 -3.071 1.00 0.00 C ATOM 440 C GLU A 27 7.353 3.223 -2.150 1.00 0.00 C ATOM 441 O GLU A 27 7.872 2.172 -2.576 1.00 0.00 O ATOM 442 CB GLU A 27 8.106 5.579 -2.639 1.00 0.00 C ATOM 443 CG GLU A 27 9.585 5.212 -2.557 1.00 0.00 C ATOM 444 CD GLU A 27 10.180 4.807 -3.888 1.00 0.00 C ATOM 445 OE1 GLU A 27 9.616 5.175 -4.939 1.00 0.00 O ATOM 446 OE2 GLU A 27 11.227 4.121 -3.887 1.00 0.00 O ATOM 0 H GLU A 27 5.673 5.854 -2.702 1.00 0.00 H new ATOM 0 HA GLU A 27 7.416 4.141 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.992 6.406 -3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.784 5.942 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.141 6.063 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.710 4.394 -1.848 1.00 0.00 H new ATOM 453 N LYS A 28 6.896 3.347 -0.900 1.00 0.00 N ATOM 454 CA LYS A 28 7.026 2.249 0.045 1.00 0.00 C ATOM 455 C LYS A 28 6.202 1.052 -0.432 1.00 0.00 C ATOM 456 O LYS A 28 6.669 -0.087 -0.389 1.00 0.00 O ATOM 457 CB LYS A 28 6.620 2.672 1.485 1.00 0.00 C ATOM 458 CG LYS A 28 5.127 2.856 1.708 1.00 0.00 C ATOM 459 CD LYS A 28 4.773 3.129 3.174 1.00 0.00 C ATOM 460 CE LYS A 28 5.405 4.418 3.699 1.00 0.00 C ATOM 461 NZ LYS A 28 6.783 4.204 4.217 1.00 0.00 N ATOM 0 H LYS A 28 6.442 4.182 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 28 8.076 1.960 0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.986 1.920 2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.126 3.606 1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.772 3.683 1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.602 1.962 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.690 3.191 3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.104 2.290 3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.431 5.158 2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.781 4.828 4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.862 4.610 5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.985 3.184 4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.467 4.668 3.586 1.00 0.00 H new ATOM 475 N GLY A 29 4.981 1.324 -0.914 1.00 0.00 N ATOM 476 CA GLY A 29 4.112 0.279 -1.411 1.00 0.00 C ATOM 477 C GLY A 29 4.721 -0.507 -2.551 1.00 0.00 C ATOM 478 O GLY A 29 4.635 -1.733 -2.579 1.00 0.00 O ATOM 0 H GLY A 29 4.584 2.262 -0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.871 -0.403 -0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.174 0.723 -1.744 1.00 0.00 H new ATOM 482 N GLU A 30 5.340 0.204 -3.495 1.00 0.00 N ATOM 483 CA GLU A 30 5.978 -0.426 -4.648 1.00 0.00 C ATOM 484 C GLU A 30 7.022 -1.424 -4.216 1.00 0.00 C ATOM 485 O GLU A 30 7.033 -2.561 -4.679 1.00 0.00 O ATOM 486 CB GLU A 30 6.614 0.610 -5.574 1.00 0.00 C ATOM 487 CG GLU A 30 5.628 1.366 -6.436 1.00 0.00 C ATOM 488 CD GLU A 30 6.311 2.251 -7.454 1.00 0.00 C ATOM 489 OE1 GLU A 30 6.847 3.304 -7.071 1.00 0.00 O ATOM 490 OE2 GLU A 30 6.324 1.887 -8.654 1.00 0.00 O ATOM 0 H GLU A 30 5.412 1.221 -3.482 1.00 0.00 H new ATOM 0 HA GLU A 30 5.194 -0.948 -5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.173 1.325 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.334 0.108 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.982 0.656 -6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.987 1.977 -5.800 1.00 0.00 H new ATOM 497 N HIS A 31 7.888 -1.011 -3.303 1.00 0.00 N ATOM 498 CA HIS A 31 8.960 -1.886 -2.851 1.00 0.00 C ATOM 499 C HIS A 31 8.413 -3.075 -2.070 1.00 0.00 C ATOM 500 O HIS A 31 8.965 -4.167 -2.129 1.00 0.00 O ATOM 501 CB HIS A 31 10.003 -1.122 -2.038 1.00 0.00 C ATOM 502 CG HIS A 31 10.797 -0.149 -2.862 1.00 0.00 C ATOM 503 ND1 HIS A 31 12.150 -0.275 -3.096 1.00 0.00 N ATOM 504 CD2 HIS A 31 10.418 0.974 -3.495 1.00 0.00 C ATOM 505 CE1 HIS A 31 12.559 0.738 -3.837 1.00 0.00 C ATOM 506 NE2 HIS A 31 11.524 1.511 -4.092 1.00 0.00 N ATOM 0 H HIS A 31 7.872 -0.090 -2.866 1.00 0.00 H new ATOM 0 HA HIS A 31 9.459 -2.274 -3.739 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.504 -0.584 -1.232 1.00 0.00 H new ATOM 0 HB3 HIS A 31 10.684 -1.834 -1.572 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.418 1.380 -3.526 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.571 0.904 -4.176 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.544 2.369 -4.644 1.00 0.00 H new ATOM 515 N GLN A 32 7.313 -2.863 -1.350 1.00 0.00 N ATOM 516 CA GLN A 32 6.651 -3.937 -0.608 1.00 0.00 C ATOM 517 C GLN A 32 6.018 -4.920 -1.577 1.00 0.00 C ATOM 518 O GLN A 32 6.147 -6.133 -1.413 1.00 0.00 O ATOM 519 CB GLN A 32 5.555 -3.347 0.282 1.00 0.00 C ATOM 520 CG GLN A 32 6.065 -2.483 1.416 1.00 0.00 C ATOM 521 CD GLN A 32 6.709 -3.282 2.541 1.00 0.00 C ATOM 522 OE1 GLN A 32 7.626 -2.808 3.206 1.00 0.00 O ATOM 523 NE2 GLN A 32 6.217 -4.491 2.779 1.00 0.00 N ATOM 0 H GLN A 32 6.859 -1.954 -1.264 1.00 0.00 H new ATOM 0 HA GLN A 32 7.392 -4.451 0.005 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.883 -2.753 -0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.966 -4.163 0.700 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.792 -1.772 1.023 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.237 -1.901 1.821 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.455 -4.853 2.206 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.601 -5.058 3.535 1.00 0.00 H new ATOM 532 N LEU A 33 5.338 -4.395 -2.578 1.00 0.00 N ATOM 533 CA LEU A 33 4.682 -5.222 -3.582 1.00 0.00 C ATOM 534 C LEU A 33 5.701 -6.076 -4.327 1.00 0.00 C ATOM 535 O LEU A 33 5.548 -7.297 -4.409 1.00 0.00 O ATOM 536 CB LEU A 33 3.857 -4.343 -4.550 1.00 0.00 C ATOM 537 CG LEU A 33 3.108 -5.056 -5.707 1.00 0.00 C ATOM 538 CD1 LEU A 33 3.992 -5.171 -6.940 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.608 -6.438 -5.278 1.00 0.00 C ATOM 0 H LEU A 33 5.223 -3.392 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 33 3.992 -5.901 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.122 -3.794 -3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.529 -3.605 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 33 2.241 -4.446 -5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.443 -5.674 -7.736 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.282 -4.175 -7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.885 -5.746 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.088 -6.911 -6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.456 -7.056 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.924 -6.332 -4.436 1.00 0.00 H new ATOM 551 N LEU A 34 6.755 -5.452 -4.841 1.00 0.00 N ATOM 552 CA LEU A 34 7.776 -6.176 -5.584 1.00 0.00 C ATOM 553 C LEU A 34 8.482 -7.179 -4.676 1.00 0.00 C ATOM 554 O LEU A 34 8.957 -8.229 -5.134 1.00 0.00 O ATOM 555 CB LEU A 34 8.785 -5.185 -6.167 1.00 0.00 C ATOM 556 CG LEU A 34 8.189 -4.084 -7.053 1.00 0.00 C ATOM 557 CD1 LEU A 34 9.222 -3.010 -7.348 1.00 0.00 C ATOM 558 CD2 LEU A 34 7.645 -4.669 -8.348 1.00 0.00 C ATOM 0 H LEU A 34 6.923 -4.450 -4.757 1.00 0.00 H new ATOM 0 HA LEU A 34 7.303 -6.725 -6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.323 -4.714 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.518 -5.741 -6.751 1.00 0.00 H new ATOM 0 HG LEU A 34 7.363 -3.625 -6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.777 -2.240 -7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.560 -2.563 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.072 -3.455 -7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.227 -3.870 -8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.452 -5.160 -8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.866 -5.396 -8.120 1.00 0.00 H new ATOM 570 N TYR A 35 8.546 -6.855 -3.390 1.00 0.00 N ATOM 571 CA TYR A 35 9.140 -7.745 -2.417 1.00 0.00 C ATOM 572 C TYR A 35 8.303 -9.007 -2.278 1.00 0.00 C ATOM 573 O TYR A 35 8.804 -10.122 -2.427 1.00 0.00 O ATOM 574 CB TYR A 35 9.300 -7.073 -1.048 1.00 0.00 C ATOM 575 CG TYR A 35 9.835 -8.017 0.006 1.00 0.00 C ATOM 576 CD1 TYR A 35 11.187 -8.325 0.066 1.00 0.00 C ATOM 577 CD2 TYR A 35 8.986 -8.620 0.928 1.00 0.00 C ATOM 578 CE1 TYR A 35 11.678 -9.203 1.007 1.00 0.00 C ATOM 579 CE2 TYR A 35 9.470 -9.496 1.876 1.00 0.00 C ATOM 580 CZ TYR A 35 10.818 -9.785 1.911 1.00 0.00 C ATOM 581 OH TYR A 35 11.306 -10.669 2.848 1.00 0.00 O ATOM 0 H TYR A 35 8.192 -5.980 -3.003 1.00 0.00 H new ATOM 0 HA TYR A 35 10.135 -8.005 -2.779 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.973 -6.221 -1.142 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.335 -6.683 -0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.867 -7.868 -0.638 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.929 -8.398 0.901 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.733 -9.434 1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.798 -9.953 2.587 1.00 0.00 H new ATOM 0 HH TYR A 35 11.185 -11.587 2.526 1.00 0.00 H new ATOM 591 N LEU A 36 7.009 -8.817 -2.000 1.00 0.00 N ATOM 592 CA LEU A 36 6.083 -9.922 -1.818 1.00 0.00 C ATOM 593 C LEU A 36 5.978 -10.775 -3.071 1.00 0.00 C ATOM 594 O LEU A 36 5.777 -11.982 -2.983 1.00 0.00 O ATOM 595 CB LEU A 36 4.704 -9.402 -1.412 1.00 0.00 C ATOM 596 CG LEU A 36 4.645 -8.641 -0.083 1.00 0.00 C ATOM 597 CD1 LEU A 36 3.260 -8.063 0.139 1.00 0.00 C ATOM 598 CD2 LEU A 36 5.033 -9.552 1.075 1.00 0.00 C ATOM 0 H LEU A 36 6.583 -7.896 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 36 6.473 -10.552 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.336 -8.746 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.019 -10.248 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 36 5.359 -7.819 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.237 -7.526 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.018 -7.376 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.528 -8.870 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.985 -8.993 2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.344 -10.396 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.048 -9.920 0.924 1.00 0.00 H new ATOM 610 N GLN A 37 6.118 -10.152 -4.239 1.00 0.00 N ATOM 611 CA GLN A 37 6.082 -10.895 -5.493 1.00 0.00 C ATOM 612 C GLN A 37 7.229 -11.912 -5.541 1.00 0.00 C ATOM 613 O GLN A 37 7.085 -13.014 -6.082 1.00 0.00 O ATOM 614 CB GLN A 37 6.138 -9.961 -6.702 1.00 0.00 C ATOM 615 CG GLN A 37 4.872 -9.144 -6.896 1.00 0.00 C ATOM 616 CD GLN A 37 4.863 -8.374 -8.200 1.00 0.00 C ATOM 617 OE1 GLN A 37 5.909 -7.982 -8.710 1.00 0.00 O ATOM 618 NE2 GLN A 37 3.681 -8.153 -8.746 1.00 0.00 N ATOM 0 H GLN A 37 6.256 -9.147 -4.342 1.00 0.00 H new ATOM 0 HA GLN A 37 5.134 -11.431 -5.537 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.984 -9.283 -6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.321 -10.552 -7.599 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.008 -9.808 -6.866 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.766 -8.445 -6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.836 -8.496 -8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.613 -7.639 -9.624 1.00 0.00 H new ATOM 627 N HIS A 38 8.362 -11.539 -4.949 1.00 0.00 N ATOM 628 CA HIS A 38 9.507 -12.435 -4.873 1.00 0.00 C ATOM 629 C HIS A 38 9.218 -13.569 -3.910 1.00 0.00 C ATOM 630 O HIS A 38 9.569 -14.731 -4.165 1.00 0.00 O ATOM 631 CB HIS A 38 10.768 -11.690 -4.453 1.00 0.00 C ATOM 632 CG HIS A 38 11.429 -11.007 -5.592 1.00 0.00 C ATOM 633 ND1 HIS A 38 11.075 -9.756 -6.023 1.00 0.00 N ATOM 634 CD2 HIS A 38 12.403 -11.428 -6.430 1.00 0.00 C ATOM 635 CE1 HIS A 38 11.792 -9.438 -7.070 1.00 0.00 C ATOM 636 NE2 HIS A 38 12.610 -10.433 -7.342 1.00 0.00 N ATOM 0 H HIS A 38 8.509 -10.626 -4.518 1.00 0.00 H new ATOM 0 HA HIS A 38 9.680 -12.847 -5.867 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.514 -10.954 -3.690 1.00 0.00 H new ATOM 0 HB3 HIS A 38 11.467 -12.392 -3.999 1.00 0.00 H new ATOM 0 HD1 HIS A 38 10.363 -9.164 -5.594 1.00 0.00 H new ATOM 0 HD2 HIS A 38 12.921 -12.375 -6.386 1.00 0.00 H new ATOM 0 HE1 HIS A 38 11.724 -8.511 -7.621 1.00 0.00 H new ATOM 645 N GLN A 39 8.547 -13.236 -2.803 1.00 0.00 N ATOM 646 CA GLN A 39 8.160 -14.224 -1.818 1.00 0.00 C ATOM 647 C GLN A 39 7.205 -15.213 -2.451 1.00 0.00 C ATOM 648 O GLN A 39 7.282 -16.408 -2.208 1.00 0.00 O ATOM 649 CB GLN A 39 7.487 -13.549 -0.616 1.00 0.00 C ATOM 650 CG GLN A 39 8.408 -12.661 0.206 1.00 0.00 C ATOM 651 CD GLN A 39 9.491 -13.441 0.942 1.00 0.00 C ATOM 652 OE1 GLN A 39 10.583 -12.934 1.172 1.00 0.00 O ATOM 653 NE2 GLN A 39 9.186 -14.668 1.331 1.00 0.00 N ATOM 0 H GLN A 39 8.264 -12.283 -2.575 1.00 0.00 H new ATOM 0 HA GLN A 39 9.051 -14.745 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.650 -12.950 -0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.073 -14.321 0.033 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.878 -11.929 -0.451 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.814 -12.104 0.930 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.266 -15.056 1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.871 -15.226 1.841 1.00 0.00 H new ATOM 662 N LEU A 40 6.279 -14.670 -3.243 1.00 0.00 N ATOM 663 CA LEU A 40 5.310 -15.443 -4.007 1.00 0.00 C ATOM 664 C LEU A 40 6.010 -16.545 -4.801 1.00 0.00 C ATOM 665 O LEU A 40 5.624 -17.711 -4.718 1.00 0.00 O ATOM 666 CB LEU A 40 4.536 -14.480 -4.949 1.00 0.00 C ATOM 667 CG LEU A 40 3.294 -15.026 -5.687 1.00 0.00 C ATOM 668 CD1 LEU A 40 3.670 -15.979 -6.806 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.338 -15.685 -4.712 1.00 0.00 C ATOM 0 H LEU A 40 6.183 -13.663 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 40 4.606 -15.927 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.222 -13.618 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.236 -14.114 -5.700 1.00 0.00 H new ATOM 0 HG LEU A 40 2.789 -14.176 -6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.766 -16.338 -7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.295 -15.459 -7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.220 -16.825 -6.394 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.470 -16.063 -5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.842 -16.512 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.014 -14.955 -3.970 1.00 0.00 H new ATOM 681 N ASP A 41 7.044 -16.176 -5.562 1.00 0.00 N ATOM 682 CA ASP A 41 7.796 -17.157 -6.352 1.00 0.00 C ATOM 683 C ASP A 41 8.341 -18.269 -5.465 1.00 0.00 C ATOM 684 O ASP A 41 8.263 -19.457 -5.811 1.00 0.00 O ATOM 685 CB ASP A 41 8.949 -16.484 -7.102 1.00 0.00 C ATOM 686 CG ASP A 41 9.775 -17.476 -7.900 1.00 0.00 C ATOM 687 OD1 ASP A 41 9.396 -17.779 -9.054 1.00 0.00 O ATOM 688 OD2 ASP A 41 10.798 -17.959 -7.384 1.00 0.00 O ATOM 0 H ASP A 41 7.378 -15.216 -5.648 1.00 0.00 H new ATOM 0 HA ASP A 41 7.108 -17.592 -7.077 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.548 -15.725 -7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.593 -15.970 -6.388 1.00 0.00 H new ATOM 693 N GLU A 42 8.880 -17.880 -4.317 1.00 0.00 N ATOM 694 CA GLU A 42 9.427 -18.826 -3.359 1.00 0.00 C ATOM 695 C GLU A 42 8.310 -19.731 -2.811 1.00 0.00 C ATOM 696 O GLU A 42 8.460 -20.952 -2.714 1.00 0.00 O ATOM 697 CB GLU A 42 10.089 -18.058 -2.211 1.00 0.00 C ATOM 698 CG GLU A 42 10.906 -18.912 -1.271 1.00 0.00 C ATOM 699 CD GLU A 42 12.116 -19.502 -1.946 1.00 0.00 C ATOM 700 OE1 GLU A 42 13.062 -18.747 -2.232 1.00 0.00 O ATOM 701 OE2 GLU A 42 12.131 -20.719 -2.190 1.00 0.00 O ATOM 0 H GLU A 42 8.949 -16.905 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 42 10.170 -19.451 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.733 -17.286 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.314 -17.549 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.224 -18.310 -0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.283 -19.716 -0.878 1.00 0.00 H new ATOM 708 N LEU A 43 7.207 -19.103 -2.452 1.00 0.00 N ATOM 709 CA LEU A 43 6.045 -19.798 -1.912 1.00 0.00 C ATOM 710 C LEU A 43 5.542 -20.883 -2.855 1.00 0.00 C ATOM 711 O LEU A 43 5.195 -21.972 -2.414 1.00 0.00 O ATOM 712 CB LEU A 43 4.914 -18.826 -1.601 1.00 0.00 C ATOM 713 CG LEU A 43 3.693 -19.445 -0.920 1.00 0.00 C ATOM 714 CD1 LEU A 43 4.033 -19.904 0.484 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.535 -18.469 -0.908 1.00 0.00 C ATOM 0 H LEU A 43 7.087 -18.093 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 43 6.370 -20.272 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.303 -18.033 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.593 -18.358 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 43 3.390 -20.321 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.149 -20.341 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.826 -20.650 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.369 -19.051 1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.676 -18.929 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.823 -17.569 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.271 -18.205 -1.932 1.00 0.00 H new ATOM 727 N ASN A 44 5.514 -20.589 -4.149 1.00 0.00 N ATOM 728 CA ASN A 44 5.050 -21.559 -5.152 1.00 0.00 C ATOM 729 C ASN A 44 5.872 -22.843 -5.096 1.00 0.00 C ATOM 730 O ASN A 44 5.353 -23.934 -5.321 1.00 0.00 O ATOM 731 CB ASN A 44 5.122 -20.968 -6.561 1.00 0.00 C ATOM 732 CG ASN A 44 4.207 -19.789 -6.771 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.203 -19.643 -6.101 1.00 0.00 O ATOM 734 ND2 ASN A 44 4.544 -18.953 -7.725 1.00 0.00 N ATOM 0 H ASN A 44 5.805 -19.691 -4.535 1.00 0.00 H new ATOM 0 HA ASN A 44 4.012 -21.794 -4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.148 -20.661 -6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.872 -21.744 -7.284 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.955 -18.145 -7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.395 -19.111 -8.265 1.00 0.00 H new ATOM 741 N GLU A 45 7.149 -22.698 -4.797 1.00 0.00 N ATOM 742 CA GLU A 45 8.055 -23.837 -4.722 1.00 0.00 C ATOM 743 C GLU A 45 7.927 -24.583 -3.400 1.00 0.00 C ATOM 744 O GLU A 45 7.863 -25.806 -3.378 1.00 0.00 O ATOM 745 CB GLU A 45 9.496 -23.365 -4.901 1.00 0.00 C ATOM 746 CG GLU A 45 9.770 -22.745 -6.253 1.00 0.00 C ATOM 747 CD GLU A 45 9.552 -23.722 -7.379 1.00 0.00 C ATOM 748 OE1 GLU A 45 10.492 -24.480 -7.701 1.00 0.00 O ATOM 749 OE2 GLU A 45 8.449 -23.739 -7.946 1.00 0.00 O ATOM 0 H GLU A 45 7.588 -21.798 -4.600 1.00 0.00 H new ATOM 0 HA GLU A 45 7.782 -24.525 -5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.730 -22.638 -4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.167 -24.212 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.121 -21.880 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.797 -22.381 -6.283 1.00 0.00 H new ATOM 756 N ASN A 46 7.875 -23.849 -2.307 1.00 0.00 N ATOM 757 CA ASN A 46 7.838 -24.459 -0.976 1.00 0.00 C ATOM 758 C ASN A 46 6.456 -25.002 -0.633 1.00 0.00 C ATOM 759 O ASN A 46 6.332 -26.026 0.033 1.00 0.00 O ATOM 760 CB ASN A 46 8.283 -23.453 0.088 1.00 0.00 C ATOM 761 CG ASN A 46 9.758 -23.119 -0.006 1.00 0.00 C ATOM 762 OD1 ASN A 46 10.588 -23.753 0.634 1.00 0.00 O ATOM 763 ND2 ASN A 46 10.090 -22.128 -0.807 1.00 0.00 N ATOM 0 H ASN A 46 7.857 -22.829 -2.305 1.00 0.00 H new ATOM 0 HA ASN A 46 8.531 -25.300 -0.990 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.700 -22.538 -0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.068 -23.857 1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.069 -21.863 -0.912 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.368 -21.625 -1.323 1.00 0.00 H new ATOM 770 N LYS A 47 5.420 -24.286 -1.090 1.00 0.00 N ATOM 771 CA LYS A 47 4.020 -24.626 -0.770 1.00 0.00 C ATOM 772 C LYS A 47 3.822 -24.615 0.761 1.00 0.00 C ATOM 773 O LYS A 47 2.893 -25.216 1.281 1.00 0.00 O ATOM 774 CB LYS A 47 3.666 -26.021 -1.326 1.00 0.00 C ATOM 775 CG LYS A 47 3.514 -26.091 -2.848 1.00 0.00 C ATOM 776 CD LYS A 47 2.320 -25.274 -3.333 1.00 0.00 C ATOM 777 CE LYS A 47 1.917 -25.644 -4.758 1.00 0.00 C ATOM 778 NZ LYS A 47 2.991 -25.364 -5.748 1.00 0.00 N ATOM 0 H LYS A 47 5.522 -23.464 -1.685 1.00 0.00 H new ATOM 0 HA LYS A 47 3.364 -23.886 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.440 -26.725 -1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.735 -26.353 -0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.424 -25.723 -3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.393 -27.130 -3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.475 -25.434 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.565 -24.213 -3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.661 -26.703 -4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.020 -25.089 -5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.597 -24.822 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.747 -24.813 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.381 -26.261 -6.100 1.00 0.00 H new ATOM 792 N SER A 48 4.713 -23.908 1.455 1.00 0.00 N ATOM 793 CA SER A 48 4.725 -23.843 2.916 1.00 0.00 C ATOM 794 C SER A 48 3.530 -23.081 3.470 1.00 0.00 C ATOM 795 O SER A 48 3.294 -21.930 3.106 1.00 0.00 O ATOM 796 CB SER A 48 6.033 -23.205 3.398 1.00 0.00 C ATOM 797 OG SER A 48 5.990 -22.915 4.787 1.00 0.00 O ATOM 0 H SER A 48 5.453 -23.360 1.016 1.00 0.00 H new ATOM 0 HA SER A 48 4.655 -24.864 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.865 -23.878 3.191 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.219 -22.288 2.839 1.00 0.00 H new ATOM 0 HG SER A 48 6.839 -22.511 5.063 1.00 0.00 H new ATOM 803 N LYS A 49 2.786 -23.730 4.359 1.00 0.00 N ATOM 804 CA LYS A 49 1.658 -23.093 5.023 1.00 0.00 C ATOM 805 C LYS A 49 2.133 -21.925 5.886 1.00 0.00 C ATOM 806 O LYS A 49 1.497 -20.878 5.928 1.00 0.00 O ATOM 807 CB LYS A 49 0.841 -24.100 5.878 1.00 0.00 C ATOM 808 CG LYS A 49 1.618 -24.779 7.004 1.00 0.00 C ATOM 809 CD LYS A 49 2.364 -26.014 6.518 1.00 0.00 C ATOM 810 CE LYS A 49 3.230 -26.605 7.609 1.00 0.00 C ATOM 811 NZ LYS A 49 3.964 -27.810 7.151 1.00 0.00 N ATOM 0 H LYS A 49 2.945 -24.699 4.636 1.00 0.00 H new ATOM 0 HA LYS A 49 0.997 -22.713 4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.011 -23.576 6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.441 -24.870 5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.328 -24.072 7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.930 -25.061 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.648 -26.761 6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.985 -25.751 5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.943 -25.855 7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.607 -26.865 8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.544 -28.181 7.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.284 -28.537 6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.579 -27.559 6.351 1.00 0.00 H new ATOM 825 N GLU A 50 3.265 -22.110 6.564 1.00 0.00 N ATOM 826 CA GLU A 50 3.824 -21.069 7.412 1.00 0.00 C ATOM 827 C GLU A 50 4.264 -19.872 6.590 1.00 0.00 C ATOM 828 O GLU A 50 3.974 -18.728 6.948 1.00 0.00 O ATOM 829 CB GLU A 50 5.005 -21.605 8.208 1.00 0.00 C ATOM 830 CG GLU A 50 4.656 -22.791 9.089 1.00 0.00 C ATOM 831 CD GLU A 50 5.880 -23.460 9.656 1.00 0.00 C ATOM 832 OE1 GLU A 50 6.460 -22.927 10.618 1.00 0.00 O ATOM 833 OE2 GLU A 50 6.273 -24.526 9.135 1.00 0.00 O ATOM 0 H GLU A 50 3.810 -22.972 6.540 1.00 0.00 H new ATOM 0 HA GLU A 50 3.043 -20.749 8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.796 -21.897 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.405 -20.805 8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.015 -22.458 9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.084 -23.516 8.510 1.00 0.00 H new ATOM 840 N LEU A 51 4.961 -20.123 5.495 1.00 0.00 N ATOM 841 CA LEU A 51 5.398 -19.045 4.627 1.00 0.00 C ATOM 842 C LEU A 51 4.189 -18.323 4.047 1.00 0.00 C ATOM 843 O LEU A 51 4.166 -17.097 3.980 1.00 0.00 O ATOM 844 CB LEU A 51 6.288 -19.586 3.504 1.00 0.00 C ATOM 845 CG LEU A 51 6.916 -18.536 2.580 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.868 -17.636 3.355 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.639 -19.208 1.423 1.00 0.00 C ATOM 0 H LEU A 51 5.234 -21.057 5.188 1.00 0.00 H new ATOM 0 HA LEU A 51 5.983 -18.337 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.090 -20.172 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.696 -20.269 2.895 1.00 0.00 H new ATOM 0 HG LEU A 51 6.116 -17.917 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.302 -16.899 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.321 -17.125 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.663 -18.239 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.078 -18.447 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.427 -19.853 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.931 -19.806 0.849 1.00 0.00 H new ATOM 859 N GLN A 52 3.178 -19.097 3.656 1.00 0.00 N ATOM 860 CA GLN A 52 1.944 -18.534 3.115 1.00 0.00 C ATOM 861 C GLN A 52 1.318 -17.593 4.128 1.00 0.00 C ATOM 862 O GLN A 52 0.891 -16.490 3.789 1.00 0.00 O ATOM 863 CB GLN A 52 0.954 -19.649 2.775 1.00 0.00 C ATOM 864 CG GLN A 52 -0.274 -19.164 2.015 1.00 0.00 C ATOM 865 CD GLN A 52 -1.350 -20.222 1.905 1.00 0.00 C ATOM 866 OE1 GLN A 52 -1.518 -21.050 2.796 1.00 0.00 O ATOM 867 NE2 GLN A 52 -2.066 -20.217 0.806 1.00 0.00 N ATOM 0 H GLN A 52 3.190 -20.116 3.704 1.00 0.00 H new ATOM 0 HA GLN A 52 2.183 -17.983 2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.464 -20.407 2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.633 -20.132 3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.683 -18.287 2.516 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.024 -18.850 1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.895 -19.512 0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.794 -20.918 0.668 1.00 0.00 H new ATOM 876 N GLU A 53 1.298 -18.031 5.378 1.00 0.00 N ATOM 877 CA GLU A 53 0.741 -17.256 6.468 1.00 0.00 C ATOM 878 C GLU A 53 1.446 -15.920 6.622 1.00 0.00 C ATOM 879 O GLU A 53 0.807 -14.884 6.622 1.00 0.00 O ATOM 880 CB GLU A 53 0.853 -18.053 7.764 1.00 0.00 C ATOM 881 CG GLU A 53 -0.391 -18.829 8.121 1.00 0.00 C ATOM 882 CD GLU A 53 -1.502 -17.920 8.578 1.00 0.00 C ATOM 883 OE1 GLU A 53 -1.359 -17.310 9.661 1.00 0.00 O ATOM 884 OE2 GLU A 53 -2.521 -17.808 7.872 1.00 0.00 O ATOM 0 H GLU A 53 1.670 -18.937 5.662 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.306 -17.054 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.689 -18.747 7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.088 -17.369 8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.723 -19.403 7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.159 -19.546 8.909 1.00 0.00 H new ATOM 891 N LYS A 54 2.767 -15.952 6.694 1.00 0.00 N ATOM 892 CA LYS A 54 3.551 -14.730 6.908 1.00 0.00 C ATOM 893 C LYS A 54 3.378 -13.772 5.741 1.00 0.00 C ATOM 894 O LYS A 54 3.219 -12.567 5.935 1.00 0.00 O ATOM 895 CB LYS A 54 5.031 -15.062 7.094 1.00 0.00 C ATOM 896 CG LYS A 54 5.327 -15.971 8.277 1.00 0.00 C ATOM 897 CD LYS A 54 4.793 -15.387 9.577 1.00 0.00 C ATOM 898 CE LYS A 54 5.227 -16.211 10.775 1.00 0.00 C ATOM 899 NZ LYS A 54 6.686 -16.090 11.038 1.00 0.00 N ATOM 0 H LYS A 54 3.323 -16.803 6.609 1.00 0.00 H new ATOM 0 HA LYS A 54 3.184 -14.250 7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.401 -15.536 6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.587 -14.132 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.879 -16.950 8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.403 -16.123 8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.148 -14.363 9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.705 -15.344 9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.672 -15.889 11.656 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.975 -17.258 10.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.903 -16.481 11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.214 -16.617 10.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.962 -15.088 11.008 1.00 0.00 H new ATOM 913 N ILE A 55 3.387 -14.316 4.539 1.00 0.00 N ATOM 914 CA ILE A 55 3.211 -13.508 3.347 1.00 0.00 C ATOM 915 C ILE A 55 1.863 -12.777 3.393 1.00 0.00 C ATOM 916 O ILE A 55 1.777 -11.599 3.063 1.00 0.00 O ATOM 917 CB ILE A 55 3.322 -14.353 2.054 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.737 -14.930 1.923 1.00 0.00 C ATOM 919 CG2 ILE A 55 2.978 -13.510 0.829 1.00 0.00 C ATOM 920 CD1 ILE A 55 4.918 -15.848 0.735 1.00 0.00 C ATOM 0 H ILE A 55 3.514 -15.312 4.362 1.00 0.00 H new ATOM 0 HA ILE A 55 4.016 -12.773 3.327 1.00 0.00 H new ATOM 0 HB ILE A 55 2.609 -15.175 2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.448 -14.108 1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.981 -15.478 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.062 -14.122 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.958 -13.136 0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.668 -12.669 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.944 -16.215 0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.233 -16.692 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.708 -15.300 -0.184 1.00 0.00 H new ATOM 932 N ILE A 56 0.828 -13.480 3.842 1.00 0.00 N ATOM 933 CA ILE A 56 -0.502 -12.893 3.965 1.00 0.00 C ATOM 934 C ILE A 56 -0.558 -11.903 5.138 1.00 0.00 C ATOM 935 O ILE A 56 -1.201 -10.854 5.046 1.00 0.00 O ATOM 936 CB ILE A 56 -1.591 -13.989 4.158 1.00 0.00 C ATOM 937 CG1 ILE A 56 -1.652 -14.902 2.928 1.00 0.00 C ATOM 938 CG2 ILE A 56 -2.960 -13.360 4.423 1.00 0.00 C ATOM 939 CD1 ILE A 56 -2.636 -16.050 3.060 1.00 0.00 C ATOM 0 H ILE A 56 0.885 -14.458 4.127 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.705 -12.359 3.037 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.319 -14.588 5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.922 -14.304 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.658 -15.308 2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.703 -14.147 4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.912 -12.752 5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.242 -12.732 3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.620 -16.649 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.356 -16.673 3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.639 -15.653 3.216 1.00 0.00 H new ATOM 951 N ARG A 57 0.147 -12.221 6.219 1.00 0.00 N ATOM 952 CA ARG A 57 0.142 -11.380 7.416 1.00 0.00 C ATOM 953 C ARG A 57 0.799 -10.039 7.142 1.00 0.00 C ATOM 954 O ARG A 57 0.207 -8.989 7.402 1.00 0.00 O ATOM 955 CB ARG A 57 0.849 -12.081 8.589 1.00 0.00 C ATOM 956 CG ARG A 57 0.224 -13.405 8.997 1.00 0.00 C ATOM 957 CD ARG A 57 -1.240 -13.249 9.337 1.00 0.00 C ATOM 958 NE ARG A 57 -1.894 -14.541 9.552 1.00 0.00 N ATOM 959 CZ ARG A 57 -3.184 -14.692 9.863 1.00 0.00 C ATOM 960 NH1 ARG A 57 -3.960 -13.635 10.044 1.00 0.00 N ATOM 961 NH2 ARG A 57 -3.690 -15.905 9.985 1.00 0.00 N ATOM 0 H ARG A 57 0.730 -13.055 6.293 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.899 -11.209 7.691 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.891 -12.253 8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.849 -11.412 9.450 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.335 -14.125 8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.757 -13.809 9.858 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.341 -12.638 10.234 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.745 -12.717 8.531 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.326 -15.383 9.458 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.574 -12.696 9.946 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.944 -13.759 10.281 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.096 -16.722 9.842 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.675 -16.025 10.222 1.00 0.00 H new ATOM 975 N GLU A 58 2.007 -10.065 6.601 1.00 0.00 N ATOM 976 CA GLU A 58 2.710 -8.835 6.292 1.00 0.00 C ATOM 977 C GLU A 58 2.003 -8.066 5.184 1.00 0.00 C ATOM 978 O GLU A 58 2.010 -6.831 5.177 1.00 0.00 O ATOM 979 CB GLU A 58 4.178 -9.104 5.930 1.00 0.00 C ATOM 980 CG GLU A 58 5.111 -9.236 7.138 1.00 0.00 C ATOM 981 CD GLU A 58 4.679 -10.304 8.127 1.00 0.00 C ATOM 982 OE1 GLU A 58 3.819 -10.009 8.984 1.00 0.00 O ATOM 983 OE2 GLU A 58 5.208 -11.423 8.067 1.00 0.00 O ATOM 0 H GLU A 58 2.516 -10.918 6.369 1.00 0.00 H new ATOM 0 HA GLU A 58 2.702 -8.215 7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.233 -10.020 5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.538 -8.295 5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.117 -9.464 6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.163 -8.276 7.652 1.00 0.00 H new ATOM 990 N LEU A 59 1.385 -8.794 4.258 1.00 0.00 N ATOM 991 CA LEU A 59 0.629 -8.184 3.170 1.00 0.00 C ATOM 992 C LEU A 59 -0.542 -7.391 3.749 1.00 0.00 C ATOM 993 O LEU A 59 -0.772 -6.240 3.381 1.00 0.00 O ATOM 994 CB LEU A 59 0.124 -9.278 2.207 1.00 0.00 C ATOM 995 CG LEU A 59 -0.302 -8.838 0.792 1.00 0.00 C ATOM 996 CD1 LEU A 59 -0.386 -10.045 -0.124 1.00 0.00 C ATOM 997 CD2 LEU A 59 -1.640 -8.111 0.815 1.00 0.00 C ATOM 0 H LEU A 59 1.394 -9.814 4.241 1.00 0.00 H new ATOM 0 HA LEU A 59 1.272 -7.504 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.911 -10.025 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.727 -9.773 2.676 1.00 0.00 H new ATOM 0 HG LEU A 59 0.452 -8.147 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.688 -9.725 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.589 -10.529 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.120 -10.749 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.911 -7.815 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.407 -8.773 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.561 -7.224 1.444 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.257 -8.019 4.681 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.428 -7.419 5.324 1.00 0.00 C ATOM 1011 C ASP A 60 -2.069 -6.118 6.032 1.00 0.00 C ATOM 1012 O ASP A 60 -2.777 -5.116 5.895 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.043 -8.400 6.326 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.290 -7.857 6.996 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.397 -8.029 6.434 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -4.180 -7.263 8.092 1.00 0.00 O ATOM 0 H ASP A 60 -1.042 -8.959 5.013 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.155 -7.193 4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.288 -9.330 5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.304 -8.643 7.089 1.00 0.00 H new ATOM 1021 N VAL A 61 -0.972 -6.137 6.778 1.00 0.00 N ATOM 1022 CA VAL A 61 -0.527 -4.956 7.519 1.00 0.00 C ATOM 1023 C VAL A 61 -0.198 -3.800 6.572 1.00 0.00 C ATOM 1024 O VAL A 61 -0.651 -2.668 6.770 1.00 0.00 O ATOM 1025 CB VAL A 61 0.715 -5.268 8.391 1.00 0.00 C ATOM 1026 CG1 VAL A 61 1.146 -4.039 9.182 1.00 0.00 C ATOM 1027 CG2 VAL A 61 0.434 -6.433 9.328 1.00 0.00 C ATOM 0 H VAL A 61 -0.372 -6.955 6.888 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.351 -4.664 8.169 1.00 0.00 H new ATOM 0 HB VAL A 61 1.532 -5.549 7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.020 -4.283 9.786 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.395 -3.232 8.493 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.332 -3.721 9.833 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.319 -6.636 9.932 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.401 -6.181 9.982 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.183 -7.318 8.743 1.00 0.00 H new ATOM 1037 N VAL A 62 0.571 -4.097 5.532 1.00 0.00 N ATOM 1038 CA VAL A 62 0.966 -3.087 4.557 1.00 0.00 C ATOM 1039 C VAL A 62 -0.247 -2.594 3.767 1.00 0.00 C ATOM 1040 O VAL A 62 -0.381 -1.398 3.506 1.00 0.00 O ATOM 1041 CB VAL A 62 2.059 -3.622 3.592 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.394 -2.593 2.520 1.00 0.00 C ATOM 1043 CG2 VAL A 62 3.306 -3.996 4.375 1.00 0.00 C ATOM 0 H VAL A 62 0.934 -5.031 5.341 1.00 0.00 H new ATOM 0 HA VAL A 62 1.389 -2.247 5.108 1.00 0.00 H new ATOM 0 HB VAL A 62 1.672 -4.511 3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.162 -2.994 1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.499 -2.366 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.761 -1.682 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.067 -4.370 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.686 -3.117 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.060 -4.770 5.102 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.137 -3.507 3.417 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.342 -3.147 2.689 1.00 0.00 C ATOM 1055 C CYS A 63 -3.196 -2.195 3.529 1.00 0.00 C ATOM 1056 O CYS A 63 -3.725 -1.208 3.026 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.147 -4.398 2.316 1.00 0.00 C ATOM 1058 SG CYS A 63 -4.603 -4.081 1.291 1.00 0.00 S ATOM 0 H CYS A 63 -1.048 -4.502 3.625 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.052 -2.643 1.767 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.492 -5.091 1.788 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.466 -4.895 3.232 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.206 -5.204 1.034 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.290 -2.489 4.823 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.074 -1.688 5.755 1.00 0.00 C ATOM 1066 C ALA A 64 -3.523 -0.270 5.879 1.00 0.00 C ATOM 1067 O ALA A 64 -4.276 0.701 5.765 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.087 -2.358 7.117 1.00 0.00 C ATOM 0 H ALA A 64 -2.825 -3.288 5.253 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.090 -1.617 5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.674 -1.758 7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.531 -3.350 7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.066 -2.448 7.488 1.00 0.00 H new ATOM 1074 N MET A 65 -2.221 -0.142 6.101 1.00 0.00 N ATOM 1075 CA MET A 65 -1.620 1.182 6.256 1.00 0.00 C ATOM 1076 C MET A 65 -1.734 1.980 4.958 1.00 0.00 C ATOM 1077 O MET A 65 -1.941 3.196 4.980 1.00 0.00 O ATOM 1078 CB MET A 65 -0.153 1.086 6.708 1.00 0.00 C ATOM 1079 CG MET A 65 0.808 0.624 5.625 1.00 0.00 C ATOM 1080 SD MET A 65 2.514 0.536 6.188 1.00 0.00 S ATOM 1081 CE MET A 65 2.391 -0.784 7.380 1.00 0.00 C ATOM 0 H MET A 65 -1.568 -0.922 6.177 1.00 0.00 H new ATOM 0 HA MET A 65 -2.172 1.707 7.036 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.168 2.063 7.069 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.089 0.398 7.551 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.498 -0.358 5.267 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.746 1.306 4.777 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.443 -0.371 8.387 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.442 -1.305 7.250 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.213 -1.485 7.233 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.618 1.288 3.830 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.739 1.924 2.532 1.00 0.00 C ATOM 1093 C ILE A 66 -3.168 2.414 2.290 1.00 0.00 C ATOM 1094 O ILE A 66 -3.373 3.560 1.901 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.257 0.989 1.376 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.194 1.307 1.000 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -2.146 1.105 0.150 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.192 1.121 2.126 1.00 0.00 C ATOM 0 H ILE A 66 -1.440 0.284 3.793 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.081 2.793 2.536 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.319 -0.037 1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.487 0.672 0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.248 2.338 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.778 0.440 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.166 0.826 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.133 2.133 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.192 1.368 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.930 1.776 2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.173 0.084 2.462 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.155 1.558 2.568 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.559 1.920 2.385 1.00 0.00 C ATOM 1112 C GLU A 67 -5.920 3.083 3.291 1.00 0.00 C ATOM 1113 O GLU A 67 -6.716 3.954 2.927 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.461 0.719 2.683 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.436 -0.357 1.608 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.304 -0.010 0.416 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -8.502 -0.372 0.429 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -6.809 0.618 -0.533 1.00 0.00 O ATOM 0 H GLU A 67 -4.006 0.612 2.920 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.710 2.221 1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.158 0.277 3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.486 1.070 2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.410 -0.508 1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.774 -1.301 2.036 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.318 3.094 4.473 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.542 4.162 5.410 1.00 0.00 C ATOM 1127 C GLY A 68 -5.018 5.483 4.890 1.00 0.00 C ATOM 1128 O GLY A 68 -5.688 6.514 4.987 1.00 0.00 O ATOM 0 H GLY A 68 -4.674 2.372 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.609 4.249 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.055 3.924 6.356 1.00 0.00 H new ATOM 1132 N ALA A 69 -3.817 5.446 4.315 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.190 6.634 3.772 1.00 0.00 C ATOM 1134 C ALA A 69 -3.907 7.105 2.516 1.00 0.00 C ATOM 1135 O ALA A 69 -4.131 8.289 2.349 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.717 6.379 3.482 1.00 0.00 C ATOM 0 H ALA A 69 -3.261 4.596 4.216 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.264 7.424 4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.264 7.283 3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.207 6.102 4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.624 5.569 2.758 1.00 0.00 H new ATOM 1142 N GLN A 70 -4.292 6.170 1.652 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.991 6.513 0.410 1.00 0.00 C ATOM 1144 C GLN A 70 -6.267 7.301 0.723 1.00 0.00 C ATOM 1145 O GLN A 70 -6.559 8.322 0.094 1.00 0.00 O ATOM 1146 CB GLN A 70 -5.355 5.235 -0.369 1.00 0.00 C ATOM 1147 CG GLN A 70 -4.156 4.471 -0.911 1.00 0.00 C ATOM 1148 CD GLN A 70 -3.613 5.043 -2.204 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -2.405 5.027 -2.438 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -4.498 5.503 -3.074 1.00 0.00 N ATOM 0 H GLN A 70 -4.134 5.171 1.785 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.329 7.127 -0.200 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.927 4.576 0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.007 5.503 -1.201 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.365 4.472 -0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.440 3.431 -1.073 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.491 5.499 -2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -4.187 5.862 -3.977 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.981 6.837 1.734 1.00 0.00 N ATOM 1160 CA GLY A 71 -8.217 7.476 2.140 1.00 0.00 C ATOM 1161 C GLY A 71 -7.997 8.871 2.715 1.00 0.00 C ATOM 1162 O GLY A 71 -8.675 9.835 2.331 1.00 0.00 O ATOM 0 H GLY A 71 -6.725 6.020 2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.886 7.543 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.715 6.855 2.885 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.018 8.979 3.609 1.00 0.00 N ATOM 1167 CA ALA A 72 -6.734 10.233 4.301 1.00 0.00 C ATOM 1168 C ALA A 72 -6.105 11.256 3.360 1.00 0.00 C ATOM 1169 O ALA A 72 -6.321 12.472 3.494 1.00 0.00 O ATOM 1170 CB ALA A 72 -5.823 9.980 5.492 1.00 0.00 C ATOM 0 H ALA A 72 -6.404 8.208 3.873 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.679 10.643 4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.618 10.922 6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.311 9.293 6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.886 9.543 5.147 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.384 10.752 2.364 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.639 11.599 1.457 1.00 0.00 C ATOM 1178 C LEU A 73 -5.592 12.293 0.530 1.00 0.00 C ATOM 1179 O LEU A 73 -5.635 13.519 0.475 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.629 10.772 0.643 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.146 10.928 1.022 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -1.652 12.328 0.705 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.917 10.602 2.491 1.00 0.00 C ATOM 0 H LEU A 73 -5.304 9.754 2.169 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.087 12.337 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.896 9.719 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.741 11.036 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.574 10.218 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.601 12.414 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.763 12.520 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.236 13.056 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.860 10.721 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.507 11.278 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.220 9.573 2.687 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.388 11.486 -0.172 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.356 11.990 -1.127 1.00 0.00 C ATOM 1197 C GLU A 74 -8.313 12.966 -0.469 1.00 0.00 C ATOM 1198 O GLU A 74 -8.564 14.035 -0.990 1.00 0.00 O ATOM 1199 CB GLU A 74 -8.109 10.827 -1.771 1.00 0.00 C ATOM 1200 CG GLU A 74 -7.282 10.008 -2.748 1.00 0.00 C ATOM 1201 CD GLU A 74 -8.149 9.143 -3.639 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -8.561 8.051 -3.203 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -8.449 9.567 -4.774 1.00 0.00 O ATOM 0 H GLU A 74 -6.375 10.469 -0.090 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.824 12.532 -1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.477 10.168 -0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.982 11.220 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.682 10.677 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.587 9.376 -2.194 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.810 12.600 0.701 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.749 13.440 1.440 1.00 0.00 C ATOM 1212 C ARG A 75 -9.177 14.853 1.637 1.00 0.00 C ATOM 1213 O ARG A 75 -9.860 15.853 1.378 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.035 12.798 2.799 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.030 13.552 3.660 1.00 0.00 C ATOM 1216 CD ARG A 75 -11.061 12.984 5.069 1.00 0.00 C ATOM 1217 NE ARG A 75 -9.755 13.104 5.725 1.00 0.00 N ATOM 1218 CZ ARG A 75 -9.297 12.278 6.667 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -10.045 11.275 7.102 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -8.093 12.467 7.174 1.00 0.00 N ATOM 0 H ARG A 75 -8.579 11.722 1.165 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.674 13.524 0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.409 11.787 2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.097 12.707 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.762 14.608 3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.023 13.490 3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.814 13.508 5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.357 11.935 5.033 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.152 13.876 5.440 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.978 11.130 6.716 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.688 10.648 7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.517 13.242 6.845 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.739 11.838 7.895 1.00 0.00 H new ATOM 1234 N GLU A 76 -7.936 14.929 2.075 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.302 16.228 2.317 1.00 0.00 C ATOM 1236 C GLU A 76 -6.856 16.923 1.036 1.00 0.00 C ATOM 1237 O GLU A 76 -7.276 18.055 0.774 1.00 0.00 O ATOM 1238 CB GLU A 76 -6.122 16.101 3.278 1.00 0.00 C ATOM 1239 CG GLU A 76 -6.469 16.428 4.720 1.00 0.00 C ATOM 1240 CD GLU A 76 -7.442 15.451 5.329 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -8.659 15.555 5.052 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -6.997 14.577 6.096 1.00 0.00 O ATOM 0 H GLU A 76 -7.345 14.121 2.272 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.070 16.852 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.733 15.084 3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.323 16.764 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.555 16.440 5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.893 17.431 4.767 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.028 16.265 0.228 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.487 16.895 -0.980 1.00 0.00 C ATOM 1251 C LEU A 77 -6.567 17.357 -1.934 1.00 0.00 C ATOM 1252 O LEU A 77 -6.372 18.298 -2.681 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.455 15.975 -1.689 1.00 0.00 C ATOM 1254 CG LEU A 77 -4.923 14.573 -2.136 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -5.756 14.631 -3.405 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -3.728 13.654 -2.329 1.00 0.00 C ATOM 0 H LEU A 77 -5.718 15.306 0.383 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.963 17.792 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.088 16.501 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.606 15.846 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.558 14.172 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.064 13.623 -3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.639 15.246 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.163 15.065 -4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.073 12.669 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.069 14.069 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.183 13.564 -1.389 1.00 0.00 H new ATOM 1268 N LYS A 78 -7.714 16.724 -1.883 1.00 0.00 N ATOM 1269 CA LYS A 78 -8.781 17.069 -2.778 1.00 0.00 C ATOM 1270 C LYS A 78 -9.410 18.412 -2.411 1.00 0.00 C ATOM 1271 O LYS A 78 -9.896 19.142 -3.273 1.00 0.00 O ATOM 1272 CB LYS A 78 -9.822 15.977 -2.819 1.00 0.00 C ATOM 1273 CG LYS A 78 -9.419 14.786 -3.696 1.00 0.00 C ATOM 1274 CD LYS A 78 -9.193 15.176 -5.152 1.00 0.00 C ATOM 1275 CE LYS A 78 -10.456 15.714 -5.796 1.00 0.00 C ATOM 1276 NZ LYS A 78 -11.541 14.694 -5.828 1.00 0.00 N ATOM 0 H LYS A 78 -7.928 15.969 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.354 17.170 -3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.009 15.625 -1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.759 16.392 -3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.508 14.339 -3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.196 14.023 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.408 15.930 -5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.842 14.308 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.798 16.591 -5.247 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.235 16.041 -6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.308 15.023 -6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.163 13.796 -6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.911 14.550 -4.867 1.00 0.00 H new ATOM 1290 N ARG A 79 -9.412 18.719 -1.115 1.00 0.00 N ATOM 1291 CA ARG A 79 -10.028 19.944 -0.619 1.00 0.00 C ATOM 1292 C ARG A 79 -9.101 21.131 -0.736 1.00 0.00 C ATOM 1293 O ARG A 79 -9.549 22.273 -0.850 1.00 0.00 O ATOM 1294 CB ARG A 79 -10.524 19.774 0.822 1.00 0.00 C ATOM 1295 CG ARG A 79 -11.837 19.010 0.927 1.00 0.00 C ATOM 1296 CD ARG A 79 -12.891 19.632 0.025 1.00 0.00 C ATOM 1297 NE ARG A 79 -14.224 19.091 0.255 1.00 0.00 N ATOM 1298 CZ ARG A 79 -15.241 19.243 -0.595 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -15.047 19.841 -1.772 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -16.444 18.781 -0.281 1.00 0.00 N ATOM 0 H ARG A 79 -8.993 18.135 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.892 20.144 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.762 19.252 1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.649 20.758 1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.681 17.968 0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.185 19.015 1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.909 20.710 0.185 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.613 19.469 -1.016 1.00 0.00 H new ATOM 0 HE ARG A 79 -14.389 18.567 1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.120 20.183 -2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -15.826 19.956 -2.420 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -16.592 18.309 0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -17.221 18.898 -0.932 1.00 0.00 H new ATOM 1392 N LEU A 85 -2.189 22.085 -12.682 1.00 0.00 N ATOM 1393 CA LEU A 85 -1.068 21.167 -12.590 1.00 0.00 C ATOM 1394 C LEU A 85 -1.249 20.246 -11.379 1.00 0.00 C ATOM 1395 O LEU A 85 -0.993 19.046 -11.458 1.00 0.00 O ATOM 1396 CB LEU A 85 0.256 21.954 -12.514 1.00 0.00 C ATOM 1397 CG LEU A 85 1.541 21.207 -12.924 1.00 0.00 C ATOM 1398 CD1 LEU A 85 1.999 20.252 -11.841 1.00 0.00 C ATOM 1399 CD2 LEU A 85 1.332 20.464 -14.237 1.00 0.00 C ATOM 0 HA LEU A 85 -1.032 20.544 -13.483 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.162 22.837 -13.146 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.382 22.307 -11.490 1.00 0.00 H new ATOM 0 HG LEU A 85 2.325 21.951 -13.063 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.907 19.743 -12.165 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.202 20.809 -10.926 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.218 19.515 -11.651 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.250 19.943 -14.510 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.525 19.741 -14.121 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.072 21.176 -15.020 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.717 20.816 -10.270 1.00 0.00 N ATOM 1412 CA GLU A 86 -1.978 20.037 -9.059 1.00 0.00 C ATOM 1413 C GLU A 86 -3.026 18.974 -9.307 1.00 0.00 C ATOM 1414 O GLU A 86 -2.837 17.825 -8.930 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.408 20.937 -7.902 1.00 0.00 C ATOM 1416 CG GLU A 86 -1.250 21.596 -7.171 1.00 0.00 C ATOM 1417 CD GLU A 86 -0.460 20.604 -6.330 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -0.827 20.398 -5.144 1.00 0.00 O ATOM 1419 OE2 GLU A 86 0.526 20.026 -6.843 1.00 0.00 O ATOM 0 H GLU A 86 -1.923 21.811 -10.184 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.045 19.546 -8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.071 21.712 -8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.985 20.347 -7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.585 22.065 -7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.633 22.390 -6.529 1.00 0.00 H new ATOM 1426 N ARG A 87 -4.122 19.338 -9.978 1.00 0.00 N ATOM 1427 CA ARG A 87 -5.182 18.371 -10.228 1.00 0.00 C ATOM 1428 C ARG A 87 -4.667 17.221 -11.094 1.00 0.00 C ATOM 1429 O ARG A 87 -5.091 16.075 -10.949 1.00 0.00 O ATOM 1430 CB ARG A 87 -6.458 19.039 -10.815 1.00 0.00 C ATOM 1431 CG ARG A 87 -6.390 19.457 -12.282 1.00 0.00 C ATOM 1432 CD ARG A 87 -6.812 18.321 -13.207 1.00 0.00 C ATOM 1433 NE ARG A 87 -6.918 18.753 -14.600 1.00 0.00 N ATOM 1434 CZ ARG A 87 -7.060 17.924 -15.636 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -7.114 16.610 -15.440 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -7.163 18.410 -16.868 1.00 0.00 N ATOM 0 H ARG A 87 -4.293 20.273 -10.348 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.485 17.948 -9.270 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.292 18.348 -10.695 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.687 19.922 -10.218 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.036 20.320 -12.446 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.374 19.768 -12.526 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.089 17.508 -13.134 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.772 17.924 -12.877 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.881 19.754 -14.792 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.047 16.232 -14.495 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.223 15.980 -16.235 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.134 19.418 -17.023 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.271 17.775 -17.659 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.725 17.547 -11.985 1.00 0.00 N ATOM 1451 CA PHE A 88 -3.092 16.555 -12.842 1.00 0.00 C ATOM 1452 C PHE A 88 -2.185 15.635 -12.015 1.00 0.00 C ATOM 1453 O PHE A 88 -2.171 14.419 -12.214 1.00 0.00 O ATOM 1454 CB PHE A 88 -2.290 17.251 -13.950 1.00 0.00 C ATOM 1455 CG PHE A 88 -1.538 16.308 -14.845 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -2.212 15.480 -15.728 1.00 0.00 C ATOM 1457 CD2 PHE A 88 -0.153 16.252 -14.804 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -1.521 14.613 -16.551 1.00 0.00 C ATOM 1459 CE2 PHE A 88 0.542 15.388 -15.625 1.00 0.00 C ATOM 1460 CZ PHE A 88 -0.142 14.567 -16.500 1.00 0.00 C ATOM 0 H PHE A 88 -3.386 18.499 -12.127 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.867 15.944 -13.305 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.971 17.847 -14.558 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.583 17.943 -13.492 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.291 15.513 -15.773 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.387 16.892 -14.122 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.058 13.972 -17.234 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.621 15.354 -15.583 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.401 13.890 -17.143 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.440 16.232 -11.080 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.563 15.468 -10.180 1.00 0.00 C ATOM 1472 C ASN A 89 -1.389 14.471 -9.394 1.00 0.00 C ATOM 1473 O ASN A 89 -1.050 13.290 -9.302 1.00 0.00 O ATOM 1474 CB ASN A 89 0.160 16.392 -9.187 1.00 0.00 C ATOM 1475 CG ASN A 89 1.205 17.277 -9.823 1.00 0.00 C ATOM 1476 OD1 ASN A 89 1.810 16.923 -10.834 1.00 0.00 O ATOM 1477 ND2 ASN A 89 1.438 18.433 -9.222 1.00 0.00 N ATOM 0 H ASN A 89 -1.425 17.240 -10.925 1.00 0.00 H new ATOM 0 HA ASN A 89 0.180 14.956 -10.792 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.578 17.020 -8.687 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.634 15.782 -8.418 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.142 19.069 -9.596 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.913 18.688 -8.385 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.466 14.975 -8.817 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.398 14.170 -8.043 1.00 0.00 C ATOM 1486 C TYR A 90 -3.918 13.013 -8.882 1.00 0.00 C ATOM 1487 O TYR A 90 -3.930 11.868 -8.432 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.561 15.038 -7.553 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.168 16.161 -6.607 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -2.832 16.475 -6.357 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.137 16.915 -5.976 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -2.487 17.500 -5.515 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -4.801 17.941 -5.128 1.00 0.00 C ATOM 1494 CZ TYR A 90 -3.464 18.233 -4.899 1.00 0.00 C ATOM 1495 OH TYR A 90 -3.106 19.270 -4.067 1.00 0.00 O ATOM 0 H TYR A 90 -2.721 15.961 -8.872 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.876 13.763 -7.177 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.062 15.471 -8.419 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.287 14.398 -7.052 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.054 15.899 -6.836 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.179 16.694 -6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.446 17.728 -5.338 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.574 18.518 -4.642 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.306 19.711 -4.420 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.336 13.329 -10.107 1.00 0.00 N ATOM 1506 CA GLU A 91 -4.828 12.339 -11.054 1.00 0.00 C ATOM 1507 C GLU A 91 -3.787 11.244 -11.281 1.00 0.00 C ATOM 1508 O GLU A 91 -4.108 10.056 -11.252 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.164 13.027 -12.382 1.00 0.00 C ATOM 1510 CG GLU A 91 -5.800 12.115 -13.419 1.00 0.00 C ATOM 1511 CD GLU A 91 -7.150 11.597 -12.985 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -8.093 12.408 -12.872 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -7.286 10.375 -12.769 1.00 0.00 O ATOM 0 H GLU A 91 -4.342 14.283 -10.468 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.726 11.876 -10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.839 13.860 -12.185 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.250 13.450 -12.799 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.908 12.658 -14.358 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.136 11.272 -13.612 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.538 11.656 -11.501 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.457 10.712 -11.735 1.00 0.00 C ATOM 1522 C GLU A 92 -1.227 9.832 -10.518 1.00 0.00 C ATOM 1523 O GLU A 92 -1.140 8.609 -10.638 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.160 11.430 -12.106 1.00 0.00 C ATOM 1525 CG GLU A 92 0.989 10.477 -12.422 1.00 0.00 C ATOM 1526 CD GLU A 92 0.823 9.772 -13.751 1.00 0.00 C ATOM 1527 OE1 GLU A 92 -0.174 9.047 -13.929 1.00 0.00 O ATOM 1528 OE2 GLU A 92 1.686 9.951 -14.633 1.00 0.00 O ATOM 0 H GLU A 92 -2.255 12.636 -11.521 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.756 10.083 -12.573 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.341 12.069 -12.970 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.134 12.082 -11.284 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.926 11.035 -12.427 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.065 9.733 -11.629 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.125 10.451 -9.335 1.00 0.00 N ATOM 1536 CA ALA A 93 -0.924 9.706 -8.105 1.00 0.00 C ATOM 1537 C ALA A 93 -2.037 8.700 -7.906 1.00 0.00 C ATOM 1538 O ALA A 93 -1.795 7.543 -7.569 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.842 10.655 -6.917 1.00 0.00 C ATOM 0 H ALA A 93 -1.179 11.462 -9.213 1.00 0.00 H new ATOM 0 HA ALA A 93 0.019 9.164 -8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.691 10.081 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.007 11.341 -7.057 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.769 11.223 -6.840 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.265 9.155 -8.134 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.446 8.312 -8.034 1.00 0.00 C ATOM 1547 C GLN A 94 -4.345 7.158 -9.028 1.00 0.00 C ATOM 1548 O GLN A 94 -4.657 6.012 -8.704 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.699 9.155 -8.300 1.00 0.00 C ATOM 1550 CG GLN A 94 -7.007 8.386 -8.237 1.00 0.00 C ATOM 1551 CD GLN A 94 -8.210 9.276 -8.495 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -8.617 9.471 -9.639 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -8.799 9.807 -7.439 1.00 0.00 N ATOM 0 H GLN A 94 -3.467 10.121 -8.394 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.515 7.893 -7.030 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.735 9.967 -7.573 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.610 9.613 -9.285 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.989 7.581 -8.972 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.106 7.920 -7.256 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.433 9.623 -6.505 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.620 10.401 -7.558 1.00 0.00 H new ATOM 1562 N THR A 95 -3.888 7.475 -10.231 1.00 0.00 N ATOM 1563 CA THR A 95 -3.690 6.480 -11.267 1.00 0.00 C ATOM 1564 C THR A 95 -2.703 5.394 -10.815 1.00 0.00 C ATOM 1565 O THR A 95 -3.029 4.201 -10.819 1.00 0.00 O ATOM 1566 CB THR A 95 -3.147 7.135 -12.563 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.113 8.055 -13.098 1.00 0.00 O ATOM 1568 CG2 THR A 95 -2.807 6.081 -13.608 1.00 0.00 C ATOM 0 H THR A 95 -3.646 8.425 -10.512 1.00 0.00 H new ATOM 0 HA THR A 95 -4.661 6.025 -11.463 1.00 0.00 H new ATOM 0 HB THR A 95 -2.236 7.676 -12.309 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.194 8.828 -12.501 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.429 6.568 -14.507 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.046 5.408 -13.212 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.703 5.511 -13.854 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.527 5.815 -10.369 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.477 4.881 -9.996 1.00 0.00 C ATOM 1578 C LEU A 96 -0.829 4.107 -8.741 1.00 0.00 C ATOM 1579 O LEU A 96 -0.557 2.909 -8.649 1.00 0.00 O ATOM 1580 CB LEU A 96 0.855 5.612 -9.800 1.00 0.00 C ATOM 1581 CG LEU A 96 1.366 6.402 -11.009 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.660 7.121 -10.666 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.563 5.486 -12.208 1.00 0.00 C ATOM 0 H LEU A 96 -1.278 6.798 -10.257 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.378 4.168 -10.815 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.751 6.298 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.613 4.879 -9.522 1.00 0.00 H new ATOM 0 HG LEU A 96 0.616 7.148 -11.272 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.009 7.677 -11.536 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.485 7.811 -9.841 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.416 6.391 -10.375 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.926 6.068 -13.055 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.291 4.713 -11.960 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.613 5.019 -12.469 1.00 0.00 H new ATOM 1595 N SER A 97 -1.442 4.784 -7.782 1.00 0.00 N ATOM 1596 CA SER A 97 -1.785 4.162 -6.521 1.00 0.00 C ATOM 1597 C SER A 97 -2.740 2.989 -6.702 1.00 0.00 C ATOM 1598 O SER A 97 -2.477 1.892 -6.219 1.00 0.00 O ATOM 1599 CB SER A 97 -2.342 5.188 -5.535 1.00 0.00 C ATOM 1600 OG SER A 97 -3.403 5.930 -6.104 1.00 0.00 O ATOM 0 H SER A 97 -1.711 5.765 -7.857 1.00 0.00 H new ATOM 0 HA SER A 97 -0.864 3.758 -6.100 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.693 4.679 -4.638 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.547 5.866 -5.226 1.00 0.00 H new ATOM 0 HG SER A 97 -3.040 6.701 -6.589 1.00 0.00 H new ATOM 1606 N LYS A 98 -3.842 3.210 -7.427 1.00 0.00 N ATOM 1607 CA LYS A 98 -4.825 2.155 -7.619 1.00 0.00 C ATOM 1608 C LYS A 98 -4.265 1.022 -8.472 1.00 0.00 C ATOM 1609 O LYS A 98 -4.659 -0.135 -8.306 1.00 0.00 O ATOM 1610 CB LYS A 98 -6.137 2.702 -8.190 1.00 0.00 C ATOM 1611 CG LYS A 98 -6.020 3.294 -9.569 1.00 0.00 C ATOM 1612 CD LYS A 98 -7.349 3.875 -10.025 1.00 0.00 C ATOM 1613 CE LYS A 98 -7.279 4.379 -11.451 1.00 0.00 C ATOM 1614 NZ LYS A 98 -7.079 3.277 -12.422 1.00 0.00 N ATOM 0 H LYS A 98 -4.067 4.095 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.054 1.739 -6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.871 1.897 -8.215 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.523 3.464 -7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.258 4.073 -9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.694 2.527 -10.272 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.125 3.114 -9.945 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.635 4.693 -9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.199 4.912 -11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.462 5.095 -11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.272 3.623 -13.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.097 2.939 -12.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.728 2.495 -12.199 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.332 1.348 -9.381 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.667 0.314 -10.164 1.00 0.00 C ATOM 1630 C ILE A 99 -1.855 -0.579 -9.222 1.00 0.00 C ATOM 1631 O ILE A 99 -1.912 -1.808 -9.294 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.717 0.911 -11.244 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -2.519 1.652 -12.320 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.870 -0.186 -11.878 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -1.659 2.326 -13.371 1.00 0.00 C ATOM 0 H ILE A 99 -3.031 2.301 -9.584 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.437 -0.259 -10.680 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.053 1.624 -10.756 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.189 0.946 -12.811 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.145 2.404 -11.840 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.213 0.251 -12.630 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.269 -0.672 -11.109 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.521 -0.922 -12.349 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.298 2.829 -14.097 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.007 3.058 -12.893 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.052 1.577 -13.880 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.133 0.073 -8.317 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.300 -0.603 -7.335 1.00 0.00 C ATOM 1649 C LEU A 100 -1.144 -1.472 -6.400 1.00 0.00 C ATOM 1650 O LEU A 100 -0.810 -2.628 -6.133 1.00 0.00 O ATOM 1651 CB LEU A 100 0.492 0.431 -6.530 1.00 0.00 C ATOM 1652 CG LEU A 100 1.379 -0.118 -5.413 1.00 0.00 C ATOM 1653 CD1 LEU A 100 2.455 -1.034 -5.978 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.003 1.021 -4.626 1.00 0.00 C ATOM 0 H LEU A 100 -1.111 1.090 -8.246 1.00 0.00 H new ATOM 0 HA LEU A 100 0.394 -1.257 -7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.120 0.995 -7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.213 1.137 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 100 0.757 -0.705 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.074 -1.413 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.986 -1.870 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.077 -0.476 -6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.632 0.614 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.610 1.634 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.216 1.633 -4.186 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.246 -0.902 -5.914 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.164 -1.606 -5.019 1.00 0.00 C ATOM 1668 C LEU A 101 -3.737 -2.843 -5.691 1.00 0.00 C ATOM 1669 O LEU A 101 -3.827 -3.908 -5.074 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.302 -0.672 -4.574 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.081 0.099 -3.263 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -4.053 -0.860 -2.083 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -2.792 0.909 -3.318 1.00 0.00 C ATOM 0 H LEU A 101 -2.527 0.055 -6.128 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.602 -1.922 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.481 0.051 -5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.211 -1.265 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.912 0.792 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.896 -0.299 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.002 -1.394 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.242 -1.576 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.659 1.445 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.947 0.238 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.846 1.624 -4.139 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.121 -2.701 -6.948 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.651 -3.811 -7.720 1.00 0.00 C ATOM 1687 C LYS A 102 -3.611 -4.927 -7.824 1.00 0.00 C ATOM 1688 O LYS A 102 -3.902 -6.084 -7.510 1.00 0.00 O ATOM 1689 CB LYS A 102 -5.043 -3.334 -9.114 1.00 0.00 C ATOM 1690 CG LYS A 102 -5.603 -4.419 -10.013 1.00 0.00 C ATOM 1691 CD LYS A 102 -5.759 -3.927 -11.444 1.00 0.00 C ATOM 1692 CE LYS A 102 -4.412 -3.545 -12.051 1.00 0.00 C ATOM 1693 NZ LYS A 102 -3.480 -4.699 -12.115 1.00 0.00 N ATOM 0 H LYS A 102 -4.075 -1.819 -7.459 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.535 -4.200 -7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.784 -2.540 -9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.168 -2.897 -9.595 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.943 -5.286 -9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.570 -4.747 -9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.225 -4.705 -12.049 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.426 -3.065 -11.463 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.567 -3.149 -13.055 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.961 -2.748 -11.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.778 -4.621 -11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.015 -5.584 -12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.993 -4.701 -13.034 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.403 -4.580 -8.257 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.321 -5.560 -8.397 1.00 0.00 C ATOM 1709 C ASP A 103 -1.006 -6.255 -7.071 1.00 0.00 C ATOM 1710 O ASP A 103 -0.654 -7.446 -7.054 1.00 0.00 O ATOM 1711 CB ASP A 103 -0.058 -4.900 -8.970 1.00 0.00 C ATOM 1712 CG ASP A 103 -0.116 -4.717 -10.480 1.00 0.00 C ATOM 1713 OD1 ASP A 103 -1.134 -4.205 -10.992 1.00 0.00 O ATOM 1714 OD2 ASP A 103 0.857 -5.098 -11.163 1.00 0.00 O ATOM 0 H ASP A 103 -2.145 -3.628 -8.518 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.665 -6.323 -9.095 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.084 -3.928 -8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.810 -5.508 -8.716 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.133 -5.538 -5.960 1.00 0.00 N ATOM 1720 CA LEU A 104 -0.906 -6.136 -4.651 1.00 0.00 C ATOM 1721 C LEU A 104 -1.932 -7.237 -4.391 1.00 0.00 C ATOM 1722 O LEU A 104 -1.582 -8.349 -3.983 1.00 0.00 O ATOM 1723 CB LEU A 104 -0.988 -5.061 -3.559 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.737 -5.535 -2.123 1.00 0.00 C ATOM 1725 CD1 LEU A 104 0.678 -6.071 -1.970 1.00 0.00 C ATOM 1726 CD2 LEU A 104 -0.990 -4.404 -1.137 1.00 0.00 C ATOM 0 H LEU A 104 -1.390 -4.551 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 104 0.091 -6.577 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.266 -4.279 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.977 -4.604 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.432 -6.346 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.833 -6.401 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.824 -6.912 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.393 -5.284 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.807 -4.758 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.321 -3.573 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.024 -4.070 -1.224 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.196 -6.913 -4.643 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.300 -7.857 -4.475 1.00 0.00 C ATOM 1740 C LYS A 105 -4.125 -9.080 -5.382 1.00 0.00 C ATOM 1741 O LYS A 105 -4.514 -10.189 -5.020 1.00 0.00 O ATOM 1742 CB LYS A 105 -5.632 -7.156 -4.758 1.00 0.00 C ATOM 1743 CG LYS A 105 -5.889 -5.969 -3.842 1.00 0.00 C ATOM 1744 CD LYS A 105 -7.139 -5.202 -4.240 1.00 0.00 C ATOM 1745 CE LYS A 105 -7.317 -3.968 -3.365 1.00 0.00 C ATOM 1746 NZ LYS A 105 -8.531 -3.194 -3.724 1.00 0.00 N ATOM 0 H LYS A 105 -3.486 -5.991 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.299 -8.210 -3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.644 -6.817 -5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.444 -7.875 -4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.990 -6.319 -2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.029 -5.299 -3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.071 -4.905 -5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.012 -5.848 -4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.378 -4.272 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.440 -3.328 -3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.610 -2.364 -3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.463 -2.880 -4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.372 -3.794 -3.609 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.515 -8.866 -6.548 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.224 -9.946 -7.493 1.00 0.00 C ATOM 1762 C GLU A 106 -2.261 -10.942 -6.849 1.00 0.00 C ATOM 1763 O GLU A 106 -2.426 -12.163 -6.956 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.599 -9.349 -8.767 1.00 0.00 C ATOM 1765 CG GLU A 106 -2.065 -10.369 -9.769 1.00 0.00 C ATOM 1766 CD GLU A 106 -3.147 -11.216 -10.392 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -3.993 -10.662 -11.123 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -3.144 -12.448 -10.176 1.00 0.00 O ATOM 0 H GLU A 106 -3.210 -7.945 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.145 -10.466 -7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.347 -8.732 -9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.783 -8.688 -8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.524 -9.845 -10.557 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.348 -11.019 -9.268 1.00 0.00 H new ATOM 1775 N THR A 107 -1.274 -10.402 -6.161 1.00 0.00 N ATOM 1776 CA THR A 107 -0.288 -11.216 -5.485 1.00 0.00 C ATOM 1777 C THR A 107 -0.945 -11.988 -4.338 1.00 0.00 C ATOM 1778 O THR A 107 -0.732 -13.190 -4.196 1.00 0.00 O ATOM 1779 CB THR A 107 0.875 -10.363 -4.949 1.00 0.00 C ATOM 1780 OG1 THR A 107 1.321 -9.459 -5.976 1.00 0.00 O ATOM 1781 CG2 THR A 107 2.040 -11.248 -4.522 1.00 0.00 C ATOM 0 H THR A 107 -1.135 -9.397 -6.056 1.00 0.00 H new ATOM 0 HA THR A 107 0.120 -11.921 -6.210 1.00 0.00 H new ATOM 0 HB THR A 107 0.522 -9.802 -4.084 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.642 -8.767 -6.120 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.852 -10.625 -4.146 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.711 -11.928 -3.736 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.392 -11.825 -5.378 1.00 0.00 H new ATOM 1789 N GLU A 108 -1.747 -11.287 -3.525 1.00 0.00 N ATOM 1790 CA GLU A 108 -2.481 -11.908 -2.415 1.00 0.00 C ATOM 1791 C GLU A 108 -3.281 -13.128 -2.885 1.00 0.00 C ATOM 1792 O GLU A 108 -3.176 -14.212 -2.305 1.00 0.00 O ATOM 1793 CB GLU A 108 -3.431 -10.894 -1.780 1.00 0.00 C ATOM 1794 CG GLU A 108 -4.179 -11.436 -0.573 1.00 0.00 C ATOM 1795 CD GLU A 108 -5.214 -10.475 -0.048 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -4.839 -9.519 0.652 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -6.413 -10.674 -0.330 1.00 0.00 O ATOM 0 H GLU A 108 -1.904 -10.283 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.748 -12.239 -1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.862 -10.014 -1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.153 -10.567 -2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.664 -12.374 -0.843 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.465 -11.663 0.219 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.084 -12.930 -3.932 1.00 0.00 N ATOM 1805 CA GLN A 109 -4.891 -14.003 -4.509 1.00 0.00 C ATOM 1806 C GLN A 109 -4.032 -15.196 -4.886 1.00 0.00 C ATOM 1807 O GLN A 109 -4.408 -16.334 -4.652 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.646 -13.507 -5.736 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.634 -12.396 -5.448 1.00 0.00 C ATOM 1810 CD GLN A 109 -7.296 -11.874 -6.703 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -7.501 -12.613 -7.669 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -7.628 -10.601 -6.704 1.00 0.00 N ATOM 0 H GLN A 109 -4.192 -12.030 -4.399 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.608 -14.318 -3.751 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -4.926 -13.155 -6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -6.179 -14.345 -6.184 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -7.398 -12.762 -4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -6.120 -11.578 -4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -7.441 -10.024 -5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -8.073 -10.191 -7.525 1.00 0.00 H new ATOM 1821 N LYS A 110 -2.880 -14.925 -5.461 1.00 0.00 N ATOM 1822 CA LYS A 110 -1.963 -15.959 -5.859 1.00 0.00 C ATOM 1823 C LYS A 110 -1.471 -16.749 -4.632 1.00 0.00 C ATOM 1824 O LYS A 110 -1.458 -17.988 -4.625 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.807 -15.305 -6.576 1.00 0.00 C ATOM 1826 CG LYS A 110 -0.311 -16.054 -7.785 1.00 0.00 C ATOM 1827 CD LYS A 110 0.616 -15.176 -8.601 1.00 0.00 C ATOM 1828 CE LYS A 110 -0.120 -13.984 -9.215 1.00 0.00 C ATOM 1829 NZ LYS A 110 -1.235 -14.406 -10.100 1.00 0.00 N ATOM 0 H LYS A 110 -2.557 -13.979 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.459 -16.667 -6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.108 -14.304 -6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.019 -15.188 -5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.213 -16.957 -7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.155 -16.371 -8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.426 -14.815 -7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 110 1.072 -15.768 -9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.511 -13.351 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.585 -13.379 -9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.767 -13.568 -10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.851 -14.901 -10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.869 -15.044 -9.579 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.107 -16.002 -3.586 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.613 -16.573 -2.333 1.00 0.00 C ATOM 1845 C VAL A 111 -1.649 -17.506 -1.722 1.00 0.00 C ATOM 1846 O VAL A 111 -1.355 -18.654 -1.390 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.285 -15.457 -1.300 1.00 0.00 C ATOM 1848 CG1 VAL A 111 0.148 -16.050 0.032 1.00 0.00 C ATOM 1849 CG2 VAL A 111 0.784 -14.523 -1.831 1.00 0.00 C ATOM 0 H VAL A 111 -1.147 -14.983 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 111 0.295 -17.129 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.197 -14.882 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.370 -15.246 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.655 -16.669 0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.039 -16.661 -0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.995 -13.752 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.693 -15.089 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.434 -14.055 -2.751 1.00 0.00 H new ATOM 1859 N LYS A 112 -2.861 -17.003 -1.581 1.00 0.00 N ATOM 1860 CA LYS A 112 -3.951 -17.761 -0.985 1.00 0.00 C ATOM 1861 C LYS A 112 -4.392 -18.915 -1.891 1.00 0.00 C ATOM 1862 O LYS A 112 -4.986 -19.885 -1.427 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.128 -16.828 -0.686 1.00 0.00 C ATOM 1864 CG LYS A 112 -5.775 -16.235 -1.927 1.00 0.00 C ATOM 1865 CD LYS A 112 -6.644 -15.026 -1.605 1.00 0.00 C ATOM 1866 CE LYS A 112 -7.774 -15.368 -0.660 1.00 0.00 C ATOM 1867 NZ LYS A 112 -8.663 -16.424 -1.210 1.00 0.00 N ATOM 0 H LYS A 112 -3.120 -16.061 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.595 -18.197 -0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.882 -17.379 -0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.782 -16.017 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.999 -15.943 -2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.383 -16.996 -2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.026 -14.245 -1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.056 -14.621 -2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.361 -15.702 0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.360 -14.472 -0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.512 -16.508 -0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.943 -16.172 -2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.157 -17.333 -1.221 1.00 0.00 H new ATOM 1881 N ASP A 113 -4.092 -18.804 -3.178 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.469 -19.838 -4.135 1.00 0.00 C ATOM 1883 C ASP A 113 -3.532 -21.036 -4.099 1.00 0.00 C ATOM 1884 O ASP A 113 -3.898 -22.123 -4.548 1.00 0.00 O ATOM 1885 CB ASP A 113 -4.597 -19.297 -5.557 1.00 0.00 C ATOM 1886 CG ASP A 113 -6.023 -18.886 -5.892 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -6.974 -19.555 -5.418 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -6.208 -17.917 -6.656 1.00 0.00 O ATOM 0 H ASP A 113 -3.591 -18.013 -3.583 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.455 -20.182 -3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.936 -18.439 -5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.265 -20.057 -6.264 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.318 -20.846 -3.596 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.402 -21.970 -3.422 1.00 0.00 C ATOM 1895 C ILE A 114 -1.893 -22.852 -2.266 1.00 0.00 C ATOM 1896 O ILE A 114 -2.086 -22.374 -1.145 1.00 0.00 O ATOM 1897 CB ILE A 114 0.072 -21.481 -3.157 1.00 0.00 C ATOM 1898 CG1 ILE A 114 0.903 -21.517 -4.442 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.763 -22.300 -2.070 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.423 -20.578 -5.524 1.00 0.00 C ATOM 0 H ILE A 114 -1.948 -19.941 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.389 -22.551 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 114 0.001 -20.451 -2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.937 -21.272 -4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.900 -22.534 -4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.776 -21.927 -1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.204 -22.213 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.802 -23.346 -2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.069 -20.669 -6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.600 -20.834 -5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.453 -19.553 -5.156 1.00 0.00 H new ATOM 1912 N GLN A 115 -2.169 -24.117 -2.562 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.598 -25.064 -1.541 1.00 0.00 C ATOM 1914 C GLN A 115 -1.449 -25.425 -0.610 1.00 0.00 C ATOM 1915 O GLN A 115 -0.385 -25.873 -1.053 1.00 0.00 O ATOM 1916 CB GLN A 115 -3.163 -26.330 -2.191 1.00 0.00 C ATOM 1917 CG GLN A 115 -2.189 -27.011 -3.143 1.00 0.00 C ATOM 1918 CD GLN A 115 -2.671 -28.361 -3.618 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -3.374 -29.077 -2.904 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -2.301 -28.724 -4.827 1.00 0.00 N ATOM 0 H GLN A 115 -2.103 -24.510 -3.501 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.380 -24.588 -0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.447 -27.034 -1.409 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -4.072 -26.075 -2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.024 -26.367 -4.006 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.227 -27.130 -2.645 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -1.718 -28.104 -5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -2.597 -29.625 -5.202 1.00 0.00 H new ATOM 1929 N THR A 116 -1.648 -25.204 0.660 1.00 0.00 N ATOM 1930 CA THR A 116 -0.660 -25.546 1.645 1.00 0.00 C ATOM 1931 C THR A 116 -1.188 -26.627 2.589 1.00 0.00 C ATOM 1932 O THR A 116 -2.290 -27.151 2.383 1.00 0.00 O ATOM 1933 CB THR A 116 -0.243 -24.302 2.437 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.397 -23.697 3.036 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.429 -23.300 1.515 1.00 0.00 C ATOM 0 H THR A 116 -2.496 -24.784 1.040 1.00 0.00 H new ATOM 0 HA THR A 116 0.215 -25.940 1.129 1.00 0.00 H new ATOM 0 HB THR A 116 0.457 -24.600 3.217 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.371 -22.728 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.722 -22.419 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.314 -23.753 1.068 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.266 -23.007 0.728 1.00 0.00 H new ATOM 1943 N GLN A 117 -0.400 -26.948 3.620 1.00 0.00 N ATOM 1944 CA GLN A 117 -0.748 -27.969 4.605 1.00 0.00 C ATOM 1945 C GLN A 117 -0.852 -29.348 3.949 1.00 0.00 C ATOM 1946 O GLN A 117 -1.983 -29.811 3.672 1.00 0.00 O ATOM 1947 CB GLN A 117 -2.047 -27.605 5.342 1.00 0.00 C ATOM 1948 CG GLN A 117 -2.411 -28.565 6.462 1.00 0.00 C ATOM 1949 CD GLN A 117 -3.765 -28.267 7.068 1.00 0.00 C ATOM 1950 OE1 GLN A 117 -4.790 -28.783 6.611 1.00 0.00 O ATOM 1951 NE2 GLN A 117 -3.786 -27.439 8.093 1.00 0.00 N ATOM 1952 OXT GLN A 117 0.207 -29.959 3.697 1.00 0.00 O ATOM 0 H GLN A 117 0.501 -26.503 3.793 1.00 0.00 H new ATOM 0 HA GLN A 117 0.052 -28.010 5.344 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.949 -26.601 5.755 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.865 -27.575 4.622 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -2.406 -29.585 6.077 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -1.650 -28.514 7.240 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.916 -27.034 8.440 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -4.672 -27.203 8.540 1.00 0.00 H new