USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=15 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= 1.01 K(o=1,f=-0.034) USER MOD Set 1.2: A 116 THR OG1 : rot 170:sc= 0 USER MOD Set 2.1: A 63 CYS SG : rot 65:sc= -0.353! USER MOD Set 2.2: A 105 LYS NZ :NH3+ -155:sc= 1.28 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.927 F(o=-2.8!,f=-0.93) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc=-0.000495 (180deg=-0.0662) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 32 GLN : amide:sc= -3.57! C(o=-3.6!,f=-4.4!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.369 K(o=0.37,f=-0.49) USER MOD Single : A 38 HIS :FLIP no HE2:sc= 0.581 F(o=-1.9!,f=0.58) USER MOD Single : A 39 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.15) USER MOD Single : A 44 ASN : amide:sc= 0.106 K(o=0.11,f=-1.7!) USER MOD Single : A 46 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ -157:sc= -0.542 (180deg=-1.23!) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0781 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -109:sc= -0.538 (180deg=-1.25) USER MOD Single : A 70 GLN : amide:sc= 1.07 K(o=1.1,f=-0.58) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.5!) USER MOD Single : A 90 TYR OH : rot 54:sc= 1.18 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 70:sc= 1.22 USER MOD Single : A 97 SER OG : rot -12:sc= 0.134 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 40:sc= 0.337 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -159:sc= 1.17 (180deg=0.876) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 117 GLN : amide:sc= -0.0255 X(o=-0.026,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 297 N LEU A 18 1.080 17.381 0.454 1.00 0.00 N ATOM 298 CA LEU A 18 0.201 16.220 0.285 1.00 0.00 C ATOM 299 C LEU A 18 0.729 15.226 -0.751 1.00 0.00 C ATOM 300 O LEU A 18 0.793 14.025 -0.491 1.00 0.00 O ATOM 301 CB LEU A 18 -1.200 16.687 -0.098 1.00 0.00 C ATOM 302 CG LEU A 18 -1.853 17.667 0.883 1.00 0.00 C ATOM 303 CD1 LEU A 18 -3.167 18.175 0.329 1.00 0.00 C ATOM 304 CD2 LEU A 18 -2.069 17.006 2.237 1.00 0.00 C ATOM 0 HA LEU A 18 0.170 15.694 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.153 17.158 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.843 15.812 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.182 18.515 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.617 18.870 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.990 18.687 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.842 17.335 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.533 17.718 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.719 16.139 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.109 16.687 2.643 1.00 0.00 H new ATOM 316 N ILE A 19 1.109 15.727 -1.917 1.00 0.00 N ATOM 317 CA ILE A 19 1.624 14.867 -2.972 1.00 0.00 C ATOM 318 C ILE A 19 2.935 14.195 -2.552 1.00 0.00 C ATOM 319 O ILE A 19 3.164 13.033 -2.856 1.00 0.00 O ATOM 320 CB ILE A 19 1.808 15.639 -4.304 1.00 0.00 C ATOM 321 CG1 ILE A 19 0.443 15.980 -4.900 1.00 0.00 C ATOM 322 CG2 ILE A 19 2.636 14.835 -5.300 1.00 0.00 C ATOM 323 CD1 ILE A 19 -0.402 14.755 -5.214 1.00 0.00 C ATOM 0 H ILE A 19 1.071 16.718 -2.156 1.00 0.00 H new ATOM 0 HA ILE A 19 0.880 14.088 -3.140 1.00 0.00 H new ATOM 0 HB ILE A 19 2.348 16.562 -4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.100 16.618 -4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.587 16.557 -5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.747 15.403 -6.223 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.620 14.635 -4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.134 13.891 -5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.357 15.070 -5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.122 14.127 -5.934 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.577 14.189 -4.299 1.00 0.00 H new ATOM 335 N GLU A 20 3.764 14.926 -1.822 1.00 0.00 N ATOM 336 CA GLU A 20 5.039 14.401 -1.330 1.00 0.00 C ATOM 337 C GLU A 20 4.787 13.206 -0.411 1.00 0.00 C ATOM 338 O GLU A 20 5.424 12.159 -0.540 1.00 0.00 O ATOM 339 CB GLU A 20 5.781 15.496 -0.574 1.00 0.00 C ATOM 340 CG GLU A 20 7.139 15.101 -0.039 1.00 0.00 C ATOM 341 CD GLU A 20 8.132 14.759 -1.145 1.00 0.00 C ATOM 342 OE1 GLU A 20 8.637 15.696 -1.808 1.00 0.00 O ATOM 343 OE2 GLU A 20 8.414 13.557 -1.357 1.00 0.00 O ATOM 0 H GLU A 20 3.579 15.892 -1.553 1.00 0.00 H new ATOM 0 HA GLU A 20 5.647 14.074 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.904 16.353 -1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.161 15.824 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.539 15.917 0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.028 14.242 0.622 1.00 0.00 H new ATOM 350 N GLN A 21 3.832 13.369 0.497 1.00 0.00 N ATOM 351 CA GLN A 21 3.460 12.311 1.425 1.00 0.00 C ATOM 352 C GLN A 21 2.913 11.103 0.663 1.00 0.00 C ATOM 353 O GLN A 21 3.090 9.950 1.081 1.00 0.00 O ATOM 354 CB GLN A 21 2.419 12.827 2.424 1.00 0.00 C ATOM 355 CG GLN A 21 2.882 14.040 3.221 1.00 0.00 C ATOM 356 CD GLN A 21 1.812 14.580 4.148 1.00 0.00 C ATOM 357 OE1 GLN A 21 1.007 15.430 3.763 1.00 0.00 O ATOM 358 NE2 GLN A 21 1.802 14.104 5.381 1.00 0.00 N ATOM 0 H GLN A 21 3.298 14.231 0.610 1.00 0.00 H new ATOM 0 HA GLN A 21 4.348 12.000 1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.507 13.084 1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.164 12.025 3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.761 13.770 3.807 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.189 14.826 2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.485 13.401 5.662 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.111 14.440 6.052 1.00 0.00 H new ATOM 367 N ALA A 22 2.272 11.372 -0.472 1.00 0.00 N ATOM 368 CA ALA A 22 1.721 10.319 -1.308 1.00 0.00 C ATOM 369 C ALA A 22 2.833 9.623 -2.076 1.00 0.00 C ATOM 370 O ALA A 22 2.842 8.401 -2.225 1.00 0.00 O ATOM 371 CB ALA A 22 0.687 10.887 -2.270 1.00 0.00 C ATOM 0 H ALA A 22 2.123 12.315 -0.831 1.00 0.00 H new ATOM 0 HA ALA A 22 1.228 9.588 -0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.285 10.084 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.122 11.349 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.156 11.636 -2.908 1.00 0.00 H new ATOM 377 N ASN A 23 3.786 10.430 -2.544 1.00 0.00 N ATOM 378 CA ASN A 23 4.931 9.935 -3.293 1.00 0.00 C ATOM 379 C ASN A 23 5.791 9.062 -2.412 1.00 0.00 C ATOM 380 O ASN A 23 6.316 8.046 -2.858 1.00 0.00 O ATOM 381 CB ASN A 23 5.765 11.086 -3.880 1.00 0.00 C ATOM 382 CG ASN A 23 5.097 11.776 -5.068 1.00 0.00 C ATOM 383 OD1 ASN A 23 4.303 11.033 -5.828 1.00 0.00 O flip ATOM 384 ND2 ASN A 23 5.306 12.966 -5.309 1.00 0.00 N flip ATOM 0 H ASN A 23 3.782 11.441 -2.413 1.00 0.00 H new ATOM 0 HA ASN A 23 4.553 9.342 -4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.952 11.824 -3.100 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.735 10.699 -4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.922 13.508 -4.704 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.863 13.409 -6.114 1.00 0.00 H new ATOM 391 N HIS A 24 5.924 9.453 -1.151 1.00 0.00 N ATOM 392 CA HIS A 24 6.680 8.667 -0.198 1.00 0.00 C ATOM 393 C HIS A 24 6.005 7.313 0.017 1.00 0.00 C ATOM 394 O HIS A 24 6.666 6.272 -0.019 1.00 0.00 O ATOM 395 CB HIS A 24 6.827 9.407 1.145 1.00 0.00 C ATOM 396 CG HIS A 24 7.626 8.664 2.178 1.00 0.00 C ATOM 397 ND1 HIS A 24 7.088 8.198 3.358 1.00 0.00 N ATOM 398 CD2 HIS A 24 8.932 8.319 2.207 1.00 0.00 C ATOM 399 CE1 HIS A 24 8.028 7.600 4.065 1.00 0.00 C ATOM 400 NE2 HIS A 24 9.155 7.660 3.386 1.00 0.00 N ATOM 0 H HIS A 24 5.518 10.308 -0.770 1.00 0.00 H new ATOM 0 HA HIS A 24 7.679 8.509 -0.606 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.298 10.373 0.964 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.834 9.607 1.546 1.00 0.00 H new ATOM 0 HD2 HIS A 24 9.665 8.525 1.441 1.00 0.00 H new ATOM 0 HE1 HIS A 24 7.896 7.141 5.033 1.00 0.00 H new ATOM 0 HE2 HIS A 24 10.050 7.277 3.690 1.00 0.00 H new ATOM 409 N ALA A 25 4.690 7.329 0.253 1.00 0.00 N ATOM 410 CA ALA A 25 3.928 6.104 0.461 1.00 0.00 C ATOM 411 C ALA A 25 3.996 5.160 -0.738 1.00 0.00 C ATOM 412 O ALA A 25 4.297 3.980 -0.578 1.00 0.00 O ATOM 413 CB ALA A 25 2.480 6.439 0.787 1.00 0.00 C ATOM 0 H ALA A 25 4.133 8.182 0.304 1.00 0.00 H new ATOM 0 HA ALA A 25 4.382 5.581 1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.919 5.517 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.441 7.043 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.041 6.998 -0.040 1.00 0.00 H new ATOM 419 N ILE A 26 3.723 5.677 -1.940 1.00 0.00 N ATOM 420 CA ILE A 26 3.741 4.836 -3.143 1.00 0.00 C ATOM 421 C ILE A 26 5.142 4.305 -3.428 1.00 0.00 C ATOM 422 O ILE A 26 5.297 3.216 -3.969 1.00 0.00 O ATOM 423 CB ILE A 26 3.181 5.556 -4.398 1.00 0.00 C ATOM 424 CG1 ILE A 26 4.017 6.790 -4.745 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.722 5.935 -4.186 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.587 7.485 -6.022 1.00 0.00 C ATOM 0 H ILE A 26 3.491 6.656 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 26 3.078 3.998 -2.929 1.00 0.00 H new ATOM 0 HB ILE A 26 3.241 4.866 -5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.959 7.500 -3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.062 6.494 -4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.344 6.439 -5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.135 5.035 -4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.640 6.603 -3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.227 8.349 -6.199 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.672 6.793 -6.859 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.552 7.814 -5.927 1.00 0.00 H new ATOM 438 N GLU A 27 6.154 5.085 -3.064 1.00 0.00 N ATOM 439 CA GLU A 27 7.545 4.670 -3.214 1.00 0.00 C ATOM 440 C GLU A 27 7.804 3.439 -2.342 1.00 0.00 C ATOM 441 O GLU A 27 8.301 2.403 -2.824 1.00 0.00 O ATOM 442 CB GLU A 27 8.471 5.812 -2.782 1.00 0.00 C ATOM 443 CG GLU A 27 9.950 5.509 -2.859 1.00 0.00 C ATOM 444 CD GLU A 27 10.784 6.683 -2.396 1.00 0.00 C ATOM 445 OE1 GLU A 27 11.071 6.780 -1.185 1.00 0.00 O ATOM 446 OE2 GLU A 27 11.148 7.530 -3.239 1.00 0.00 O ATOM 0 H GLU A 27 6.036 6.014 -2.660 1.00 0.00 H new ATOM 0 HA GLU A 27 7.741 4.424 -4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.262 6.682 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.226 6.088 -1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.176 4.637 -2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.217 5.254 -3.885 1.00 0.00 H new ATOM 453 N LYS A 28 7.439 3.553 -1.071 1.00 0.00 N ATOM 454 CA LYS A 28 7.590 2.465 -0.119 1.00 0.00 C ATOM 455 C LYS A 28 6.757 1.267 -0.559 1.00 0.00 C ATOM 456 O LYS A 28 7.238 0.130 -0.562 1.00 0.00 O ATOM 457 CB LYS A 28 7.144 2.922 1.276 1.00 0.00 C ATOM 458 CG LYS A 28 7.288 1.859 2.355 1.00 0.00 C ATOM 459 CD LYS A 28 6.632 2.298 3.656 1.00 0.00 C ATOM 460 CE LYS A 28 6.766 1.235 4.740 1.00 0.00 C ATOM 461 NZ LYS A 28 8.172 1.051 5.171 1.00 0.00 N ATOM 0 H LYS A 28 7.032 4.400 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 28 8.640 2.175 -0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.727 3.797 1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.101 3.236 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.836 0.928 2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.345 1.655 2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.088 3.227 3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.577 2.507 3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.158 1.516 5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.374 0.288 4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.201 0.435 6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.717 0.613 4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.587 1.975 5.407 1.00 0.00 H new ATOM 475 N GLY A 29 5.508 1.537 -0.944 1.00 0.00 N ATOM 476 CA GLY A 29 4.606 0.493 -1.380 1.00 0.00 C ATOM 477 C GLY A 29 5.129 -0.268 -2.575 1.00 0.00 C ATOM 478 O GLY A 29 5.022 -1.489 -2.638 1.00 0.00 O ATOM 0 H GLY A 29 5.107 2.475 -0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.437 -0.202 -0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.641 0.933 -1.629 1.00 0.00 H new ATOM 482 N GLU A 30 5.690 0.470 -3.523 1.00 0.00 N ATOM 483 CA GLU A 30 6.250 -0.090 -4.744 1.00 0.00 C ATOM 484 C GLU A 30 7.321 -1.128 -4.429 1.00 0.00 C ATOM 485 O GLU A 30 7.226 -2.283 -4.843 1.00 0.00 O ATOM 486 CB GLU A 30 6.863 1.043 -5.575 1.00 0.00 C ATOM 487 CG GLU A 30 7.271 0.653 -6.981 1.00 0.00 C ATOM 488 CD GLU A 30 6.086 0.386 -7.874 1.00 0.00 C ATOM 489 OE1 GLU A 30 5.341 1.342 -8.175 1.00 0.00 O ATOM 490 OE2 GLU A 30 5.890 -0.774 -8.278 1.00 0.00 O ATOM 0 H GLU A 30 5.770 1.485 -3.465 1.00 0.00 H new ATOM 0 HA GLU A 30 5.454 -0.582 -5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.144 1.860 -5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.739 1.426 -5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.876 1.450 -7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.898 -0.237 -6.940 1.00 0.00 H new ATOM 497 N HIS A 31 8.324 -0.717 -3.663 1.00 0.00 N ATOM 498 CA HIS A 31 9.455 -1.591 -3.357 1.00 0.00 C ATOM 499 C HIS A 31 9.024 -2.836 -2.565 1.00 0.00 C ATOM 500 O HIS A 31 9.482 -3.944 -2.844 1.00 0.00 O ATOM 501 CB HIS A 31 10.536 -0.817 -2.594 1.00 0.00 C ATOM 502 CG HIS A 31 11.878 -1.497 -2.587 1.00 0.00 C ATOM 503 ND1 HIS A 31 12.560 -1.813 -1.437 1.00 0.00 N ATOM 504 CD2 HIS A 31 12.669 -1.900 -3.609 1.00 0.00 C ATOM 505 CE1 HIS A 31 13.711 -2.378 -1.749 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.799 -2.442 -3.059 1.00 0.00 N ATOM 0 H HIS A 31 8.380 0.211 -3.243 1.00 0.00 H new ATOM 0 HA HIS A 31 9.867 -1.937 -4.305 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.643 0.173 -3.038 1.00 0.00 H new ATOM 0 HB3 HIS A 31 10.207 -0.671 -1.565 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.449 -1.810 -4.663 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.454 -2.728 -1.048 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.583 -2.833 -3.581 1.00 0.00 H new ATOM 515 N GLN A 32 8.136 -2.648 -1.591 1.00 0.00 N ATOM 516 CA GLN A 32 7.673 -3.761 -0.756 1.00 0.00 C ATOM 517 C GLN A 32 6.785 -4.722 -1.561 1.00 0.00 C ATOM 518 O GLN A 32 6.786 -5.926 -1.310 1.00 0.00 O ATOM 519 CB GLN A 32 6.940 -3.225 0.500 1.00 0.00 C ATOM 520 CG GLN A 32 5.586 -2.580 0.234 1.00 0.00 C ATOM 521 CD GLN A 32 4.453 -3.590 0.169 1.00 0.00 C ATOM 522 OE1 GLN A 32 4.473 -4.605 0.853 1.00 0.00 O ATOM 523 NE2 GLN A 32 3.478 -3.329 -0.676 1.00 0.00 N ATOM 0 H GLN A 32 7.724 -1.744 -1.359 1.00 0.00 H new ATOM 0 HA GLN A 32 8.542 -4.328 -0.421 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.801 -4.049 1.199 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.582 -2.495 0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.374 -1.854 1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.630 -2.029 -0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.498 -2.472 -1.228 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.703 -3.984 -0.778 1.00 0.00 H new ATOM 532 N LEU A 33 6.051 -4.197 -2.540 1.00 0.00 N ATOM 533 CA LEU A 33 5.205 -5.035 -3.380 1.00 0.00 C ATOM 534 C LEU A 33 6.076 -5.941 -4.231 1.00 0.00 C ATOM 535 O LEU A 33 5.836 -7.147 -4.319 1.00 0.00 O ATOM 536 CB LEU A 33 4.255 -4.166 -4.242 1.00 0.00 C ATOM 537 CG LEU A 33 3.337 -4.890 -5.266 1.00 0.00 C ATOM 538 CD1 LEU A 33 4.029 -5.020 -6.612 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.895 -6.269 -4.756 1.00 0.00 C ATOM 0 H LEU A 33 6.026 -3.203 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 33 4.575 -5.663 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.618 -3.596 -3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.864 -3.446 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 33 2.443 -4.279 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.368 -5.530 -7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.269 -4.028 -6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.947 -5.596 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.255 -6.744 -5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.773 -6.891 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.343 -6.152 -3.823 1.00 0.00 H new ATOM 551 N LEU A 34 7.119 -5.370 -4.818 1.00 0.00 N ATOM 552 CA LEU A 34 8.042 -6.142 -5.635 1.00 0.00 C ATOM 553 C LEU A 34 8.729 -7.189 -4.773 1.00 0.00 C ATOM 554 O LEU A 34 9.053 -8.279 -5.242 1.00 0.00 O ATOM 555 CB LEU A 34 9.095 -5.224 -6.260 1.00 0.00 C ATOM 556 CG LEU A 34 8.560 -4.032 -7.055 1.00 0.00 C ATOM 557 CD1 LEU A 34 9.706 -3.214 -7.624 1.00 0.00 C ATOM 558 CD2 LEU A 34 7.632 -4.498 -8.162 1.00 0.00 C ATOM 0 H LEU A 34 7.346 -4.378 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 34 7.483 -6.631 -6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.737 -4.846 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.724 -5.822 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 34 7.989 -3.397 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.307 -2.370 -8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.329 -2.845 -6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.306 -3.839 -8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.263 -3.634 -8.715 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.175 -5.157 -8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.790 -5.038 -7.728 1.00 0.00 H new ATOM 570 N TYR A 35 8.922 -6.857 -3.504 1.00 0.00 N ATOM 571 CA TYR A 35 9.539 -7.767 -2.565 1.00 0.00 C ATOM 572 C TYR A 35 8.662 -8.997 -2.356 1.00 0.00 C ATOM 573 O TYR A 35 9.120 -10.136 -2.491 1.00 0.00 O ATOM 574 CB TYR A 35 9.811 -7.068 -1.228 1.00 0.00 C ATOM 575 CG TYR A 35 10.279 -8.001 -0.133 1.00 0.00 C ATOM 576 CD1 TYR A 35 11.561 -8.536 -0.146 1.00 0.00 C ATOM 577 CD2 TYR A 35 9.435 -8.348 0.914 1.00 0.00 C ATOM 578 CE1 TYR A 35 11.987 -9.390 0.851 1.00 0.00 C ATOM 579 CE2 TYR A 35 9.853 -9.200 1.914 1.00 0.00 C ATOM 580 CZ TYR A 35 11.129 -9.719 1.880 1.00 0.00 C ATOM 581 OH TYR A 35 11.553 -10.569 2.880 1.00 0.00 O ATOM 0 H TYR A 35 8.656 -5.957 -3.105 1.00 0.00 H new ATOM 0 HA TYR A 35 10.493 -8.090 -2.981 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.564 -6.295 -1.380 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.901 -6.566 -0.900 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.235 -8.279 -0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.434 -7.943 0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.986 -9.798 0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.183 -9.460 2.721 1.00 0.00 H new ATOM 0 HH TYR A 35 10.830 -10.698 3.528 1.00 0.00 H new ATOM 591 N LEU A 36 7.384 -8.761 -2.033 1.00 0.00 N ATOM 592 CA LEU A 36 6.432 -9.839 -1.801 1.00 0.00 C ATOM 593 C LEU A 36 6.243 -10.696 -3.047 1.00 0.00 C ATOM 594 O LEU A 36 6.012 -11.903 -2.944 1.00 0.00 O ATOM 595 CB LEU A 36 5.084 -9.275 -1.340 1.00 0.00 C ATOM 596 CG LEU A 36 5.104 -8.461 -0.042 1.00 0.00 C ATOM 597 CD1 LEU A 36 3.724 -7.903 0.256 1.00 0.00 C ATOM 598 CD2 LEU A 36 5.596 -9.313 1.121 1.00 0.00 C ATOM 0 H LEU A 36 6.990 -7.826 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 36 6.840 -10.474 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.686 -8.644 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.389 -10.105 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 36 5.795 -7.628 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.756 -7.328 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.408 -7.256 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.015 -8.724 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.602 -8.715 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.933 -10.168 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.606 -9.666 0.912 1.00 0.00 H new ATOM 610 N GLN A 37 6.331 -10.071 -4.226 1.00 0.00 N ATOM 611 CA GLN A 37 6.206 -10.805 -5.487 1.00 0.00 C ATOM 612 C GLN A 37 7.272 -11.899 -5.569 1.00 0.00 C ATOM 613 O GLN A 37 7.004 -13.018 -6.023 1.00 0.00 O ATOM 614 CB GLN A 37 6.336 -9.872 -6.691 1.00 0.00 C ATOM 615 CG GLN A 37 5.215 -8.855 -6.825 1.00 0.00 C ATOM 616 CD GLN A 37 5.320 -8.048 -8.102 1.00 0.00 C ATOM 617 OE1 GLN A 37 6.413 -7.837 -8.630 1.00 0.00 O ATOM 618 NE2 GLN A 37 4.198 -7.580 -8.602 1.00 0.00 N ATOM 0 H GLN A 37 6.487 -9.069 -4.332 1.00 0.00 H new ATOM 0 HA GLN A 37 5.215 -11.258 -5.510 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.285 -9.340 -6.622 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.373 -10.474 -7.599 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.255 -9.371 -6.802 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.235 -8.181 -5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.312 -7.776 -8.137 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.214 -7.021 -9.455 1.00 0.00 H new ATOM 627 N HIS A 38 8.475 -11.574 -5.104 1.00 0.00 N ATOM 628 CA HIS A 38 9.574 -12.532 -5.091 1.00 0.00 C ATOM 629 C HIS A 38 9.295 -13.658 -4.109 1.00 0.00 C ATOM 630 O HIS A 38 9.618 -14.823 -4.365 1.00 0.00 O ATOM 631 CB HIS A 38 10.900 -11.846 -4.762 1.00 0.00 C ATOM 632 CG HIS A 38 11.493 -11.136 -5.931 1.00 0.00 C ATOM 633 ND1 HIS A 38 11.174 -9.957 -6.506 1.00 0.00 N flip ATOM 634 CD2 HIS A 38 12.522 -11.654 -6.677 1.00 0.00 C flip ATOM 635 CE1 HIS A 38 12.005 -9.791 -7.580 1.00 0.00 C flip ATOM 636 NE2 HIS A 38 12.807 -10.832 -7.658 1.00 0.00 N flip ATOM 0 H HIS A 38 8.713 -10.655 -4.732 1.00 0.00 H new ATOM 0 HA HIS A 38 9.656 -12.960 -6.090 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.743 -11.133 -3.952 1.00 0.00 H new ATOM 0 HB3 HIS A 38 11.608 -12.591 -4.399 1.00 0.00 H new ATOM 0 HD1 HIS A 38 10.448 -9.310 -6.197 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.020 -12.593 -6.486 1.00 0.00 H new ATOM 0 HE1 HIS A 38 12.003 -8.946 -8.252 1.00 0.00 H new ATOM 645 N GLN A 39 8.671 -13.312 -2.985 1.00 0.00 N ATOM 646 CA GLN A 39 8.313 -14.301 -1.987 1.00 0.00 C ATOM 647 C GLN A 39 7.257 -15.241 -2.538 1.00 0.00 C ATOM 648 O GLN A 39 7.317 -16.444 -2.320 1.00 0.00 O ATOM 649 CB GLN A 39 7.825 -13.630 -0.703 1.00 0.00 C ATOM 650 CG GLN A 39 8.928 -12.959 0.102 1.00 0.00 C ATOM 651 CD GLN A 39 9.966 -13.950 0.605 1.00 0.00 C ATOM 652 OE1 GLN A 39 9.822 -14.521 1.684 1.00 0.00 O ATOM 653 NE2 GLN A 39 11.018 -14.153 -0.165 1.00 0.00 N ATOM 0 H GLN A 39 8.406 -12.356 -2.749 1.00 0.00 H new ATOM 0 HA GLN A 39 9.202 -14.882 -1.742 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.071 -12.885 -0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.336 -14.377 -0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.418 -12.206 -0.516 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.487 -12.437 0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.102 -13.660 -1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.747 -14.803 0.129 1.00 0.00 H new ATOM 662 N LEU A 40 6.270 -14.667 -3.236 1.00 0.00 N ATOM 663 CA LEU A 40 5.227 -15.435 -3.913 1.00 0.00 C ATOM 664 C LEU A 40 5.845 -16.520 -4.785 1.00 0.00 C ATOM 665 O LEU A 40 5.406 -17.676 -4.759 1.00 0.00 O ATOM 666 CB LEU A 40 4.329 -14.476 -4.749 1.00 0.00 C ATOM 667 CG LEU A 40 3.159 -15.096 -5.563 1.00 0.00 C ATOM 668 CD1 LEU A 40 3.643 -15.683 -6.883 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.425 -16.154 -4.750 1.00 0.00 C ATOM 0 H LEU A 40 6.175 -13.657 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 40 4.602 -15.929 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.907 -13.736 -4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.972 -13.939 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 40 2.462 -14.289 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.797 -16.107 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.102 -14.898 -7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.377 -16.465 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.612 -16.570 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.119 -16.949 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.018 -15.701 -3.846 1.00 0.00 H new ATOM 681 N ASP A 41 6.858 -16.152 -5.564 1.00 0.00 N ATOM 682 CA ASP A 41 7.555 -17.110 -6.418 1.00 0.00 C ATOM 683 C ASP A 41 8.137 -18.250 -5.592 1.00 0.00 C ATOM 684 O ASP A 41 7.978 -19.416 -5.936 1.00 0.00 O ATOM 685 CB ASP A 41 8.661 -16.411 -7.209 1.00 0.00 C ATOM 686 CG ASP A 41 9.496 -17.375 -8.023 1.00 0.00 C ATOM 687 OD1 ASP A 41 9.011 -17.861 -9.064 1.00 0.00 O ATOM 688 OD2 ASP A 41 10.650 -17.639 -7.634 1.00 0.00 O ATOM 0 H ASP A 41 7.215 -15.198 -5.622 1.00 0.00 H new ATOM 0 HA ASP A 41 6.833 -17.529 -7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.215 -15.672 -7.874 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.308 -15.869 -6.519 1.00 0.00 H new ATOM 693 N GLU A 42 8.776 -17.904 -4.478 1.00 0.00 N ATOM 694 CA GLU A 42 9.370 -18.904 -3.599 1.00 0.00 C ATOM 695 C GLU A 42 8.277 -19.791 -2.992 1.00 0.00 C ATOM 696 O GLU A 42 8.425 -21.012 -2.889 1.00 0.00 O ATOM 697 CB GLU A 42 10.174 -18.228 -2.491 1.00 0.00 C ATOM 698 CG GLU A 42 10.855 -19.202 -1.555 1.00 0.00 C ATOM 699 CD GLU A 42 11.573 -18.510 -0.427 1.00 0.00 C ATOM 700 OE1 GLU A 42 10.925 -18.203 0.591 1.00 0.00 O ATOM 701 OE2 GLU A 42 12.796 -18.279 -0.545 1.00 0.00 O ATOM 0 H GLU A 42 8.895 -16.941 -4.164 1.00 0.00 H new ATOM 0 HA GLU A 42 10.043 -19.528 -4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.928 -17.584 -2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.510 -17.585 -1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.112 -19.886 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.566 -19.806 -2.118 1.00 0.00 H new ATOM 708 N LEU A 43 7.192 -19.150 -2.590 1.00 0.00 N ATOM 709 CA LEU A 43 6.038 -19.842 -2.027 1.00 0.00 C ATOM 710 C LEU A 43 5.525 -20.909 -2.983 1.00 0.00 C ATOM 711 O LEU A 43 5.110 -21.977 -2.555 1.00 0.00 O ATOM 712 CB LEU A 43 4.916 -18.861 -1.700 1.00 0.00 C ATOM 713 CG LEU A 43 3.675 -19.481 -1.054 1.00 0.00 C ATOM 714 CD1 LEU A 43 3.989 -20.006 0.332 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.540 -18.481 -1.010 1.00 0.00 C ATOM 0 H LEU A 43 7.084 -18.137 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 43 6.363 -20.322 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.309 -18.094 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.615 -18.359 -2.619 1.00 0.00 H new ATOM 0 HG LEU A 43 3.360 -20.326 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.090 -20.441 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.765 -20.768 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.338 -19.187 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.667 -18.941 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.844 -17.611 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.291 -18.169 -2.024 1.00 0.00 H new ATOM 727 N ASN A 44 5.559 -20.616 -4.270 1.00 0.00 N ATOM 728 CA ASN A 44 5.142 -21.577 -5.288 1.00 0.00 C ATOM 729 C ASN A 44 5.978 -22.849 -5.229 1.00 0.00 C ATOM 730 O ASN A 44 5.455 -23.951 -5.378 1.00 0.00 O ATOM 731 CB ASN A 44 5.216 -20.950 -6.677 1.00 0.00 C ATOM 732 CG ASN A 44 3.931 -20.251 -7.069 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.055 -20.844 -7.698 1.00 0.00 O ATOM 734 ND2 ASN A 44 3.802 -18.997 -6.694 1.00 0.00 N ATOM 0 H ASN A 44 5.871 -19.719 -4.641 1.00 0.00 H new ATOM 0 HA ASN A 44 4.107 -21.851 -5.083 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.038 -20.235 -6.705 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.442 -21.725 -7.410 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.953 -18.481 -6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.551 -18.541 -6.174 1.00 0.00 H new ATOM 741 N GLU A 45 7.267 -22.697 -4.967 1.00 0.00 N ATOM 742 CA GLU A 45 8.176 -23.831 -4.903 1.00 0.00 C ATOM 743 C GLU A 45 8.106 -24.543 -3.558 1.00 0.00 C ATOM 744 O GLU A 45 7.993 -25.766 -3.502 1.00 0.00 O ATOM 745 CB GLU A 45 9.617 -23.374 -5.142 1.00 0.00 C ATOM 746 CG GLU A 45 10.067 -23.399 -6.592 1.00 0.00 C ATOM 747 CD GLU A 45 9.233 -22.528 -7.496 1.00 0.00 C ATOM 748 OE1 GLU A 45 9.450 -21.306 -7.515 1.00 0.00 O ATOM 749 OE2 GLU A 45 8.381 -23.070 -8.218 1.00 0.00 O ATOM 0 H GLU A 45 7.709 -21.794 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 45 7.867 -24.528 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.728 -22.359 -4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.285 -24.009 -4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.106 -23.076 -6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.033 -24.425 -6.957 1.00 0.00 H new ATOM 756 N ASN A 46 8.159 -23.780 -2.478 1.00 0.00 N ATOM 757 CA ASN A 46 8.205 -24.357 -1.133 1.00 0.00 C ATOM 758 C ASN A 46 6.820 -24.852 -0.689 1.00 0.00 C ATOM 759 O ASN A 46 6.707 -25.845 0.022 1.00 0.00 O ATOM 760 CB ASN A 46 8.777 -23.323 -0.142 1.00 0.00 C ATOM 761 CG ASN A 46 9.123 -23.911 1.219 1.00 0.00 C ATOM 762 OD1 ASN A 46 9.375 -25.106 1.351 1.00 0.00 O ATOM 763 ND2 ASN A 46 9.189 -23.062 2.231 1.00 0.00 N ATOM 0 H ASN A 46 8.171 -22.760 -2.500 1.00 0.00 H new ATOM 0 HA ASN A 46 8.863 -25.226 -1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.672 -22.875 -0.573 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.052 -22.520 -0.008 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.456 -23.393 3.158 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.973 -22.076 2.084 1.00 0.00 H new ATOM 770 N LYS A 47 5.774 -24.131 -1.125 1.00 0.00 N ATOM 771 CA LYS A 47 4.368 -24.465 -0.792 1.00 0.00 C ATOM 772 C LYS A 47 4.167 -24.462 0.740 1.00 0.00 C ATOM 773 O LYS A 47 3.269 -25.114 1.262 1.00 0.00 O ATOM 774 CB LYS A 47 4.020 -25.852 -1.346 1.00 0.00 C ATOM 775 CG LYS A 47 2.552 -26.039 -1.725 1.00 0.00 C ATOM 776 CD LYS A 47 2.168 -25.301 -3.018 1.00 0.00 C ATOM 777 CE LYS A 47 2.552 -26.081 -4.282 1.00 0.00 C ATOM 778 NZ LYS A 47 4.016 -26.115 -4.536 1.00 0.00 N ATOM 0 H LYS A 47 5.871 -23.304 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 47 3.715 -23.716 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.635 -26.041 -2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.287 -26.603 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.346 -27.103 -1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.923 -25.683 -0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.093 -25.118 -3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.657 -24.327 -3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.183 -27.103 -4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.052 -25.633 -5.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.189 -26.293 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.436 -25.202 -4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.449 -26.874 -3.972 1.00 0.00 H new ATOM 792 N SER A 48 5.014 -23.720 1.436 1.00 0.00 N ATOM 793 CA SER A 48 4.985 -23.660 2.895 1.00 0.00 C ATOM 794 C SER A 48 3.756 -22.928 3.416 1.00 0.00 C ATOM 795 O SER A 48 3.519 -21.772 3.063 1.00 0.00 O ATOM 796 CB SER A 48 6.253 -22.994 3.426 1.00 0.00 C ATOM 797 OG SER A 48 6.205 -22.838 4.835 1.00 0.00 O ATOM 0 H SER A 48 5.740 -23.143 1.010 1.00 0.00 H new ATOM 0 HA SER A 48 4.935 -24.687 3.257 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.122 -23.594 3.154 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.378 -22.019 2.955 1.00 0.00 H new ATOM 0 HG SER A 48 7.031 -22.411 5.145 1.00 0.00 H new ATOM 803 N LYS A 49 2.977 -23.605 4.261 1.00 0.00 N ATOM 804 CA LYS A 49 1.813 -22.984 4.888 1.00 0.00 C ATOM 805 C LYS A 49 2.240 -21.775 5.728 1.00 0.00 C ATOM 806 O LYS A 49 1.583 -20.741 5.728 1.00 0.00 O ATOM 807 CB LYS A 49 1.023 -23.999 5.757 1.00 0.00 C ATOM 808 CG LYS A 49 1.835 -24.674 6.857 1.00 0.00 C ATOM 809 CD LYS A 49 2.412 -26.011 6.401 1.00 0.00 C ATOM 810 CE LYS A 49 3.255 -26.636 7.493 1.00 0.00 C ATOM 811 NZ LYS A 49 3.662 -28.026 7.160 1.00 0.00 N ATOM 0 H LYS A 49 3.131 -24.578 4.525 1.00 0.00 H new ATOM 0 HA LYS A 49 1.149 -22.644 4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.178 -23.483 6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.611 -24.769 5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.647 -24.015 7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.202 -24.831 7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.602 -26.688 6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.018 -25.864 5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.145 -26.028 7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.694 -26.637 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.237 -28.414 7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.814 -28.614 7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.220 -28.024 6.282 1.00 0.00 H new ATOM 825 N GLU A 50 3.362 -21.917 6.426 1.00 0.00 N ATOM 826 CA GLU A 50 3.889 -20.836 7.250 1.00 0.00 C ATOM 827 C GLU A 50 4.281 -19.641 6.402 1.00 0.00 C ATOM 828 O GLU A 50 3.964 -18.501 6.747 1.00 0.00 O ATOM 829 CB GLU A 50 5.083 -21.300 8.081 1.00 0.00 C ATOM 830 CG GLU A 50 4.740 -22.373 9.096 1.00 0.00 C ATOM 831 CD GLU A 50 3.686 -21.919 10.079 1.00 0.00 C ATOM 832 OE1 GLU A 50 4.018 -21.145 11.004 1.00 0.00 O ATOM 833 OE2 GLU A 50 2.524 -22.334 9.938 1.00 0.00 O ATOM 0 H GLU A 50 3.923 -22.769 6.437 1.00 0.00 H new ATOM 0 HA GLU A 50 3.093 -20.534 7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.855 -21.679 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.507 -20.442 8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.388 -23.263 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.641 -22.657 9.639 1.00 0.00 H new ATOM 840 N LEU A 51 4.951 -19.890 5.289 1.00 0.00 N ATOM 841 CA LEU A 51 5.357 -18.802 4.412 1.00 0.00 C ATOM 842 C LEU A 51 4.130 -18.089 3.856 1.00 0.00 C ATOM 843 O LEU A 51 4.089 -16.864 3.812 1.00 0.00 O ATOM 844 CB LEU A 51 6.233 -19.318 3.271 1.00 0.00 C ATOM 845 CG LEU A 51 6.790 -18.245 2.327 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.710 -17.290 3.074 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.520 -18.887 1.162 1.00 0.00 C ATOM 0 H LEU A 51 5.223 -20.821 4.974 1.00 0.00 H new ATOM 0 HA LEU A 51 5.944 -18.093 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.070 -19.869 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.652 -20.028 2.683 1.00 0.00 H new ATOM 0 HG LEU A 51 5.951 -17.670 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.092 -16.538 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.154 -16.799 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.543 -17.847 3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.908 -18.110 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.346 -19.490 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.831 -19.523 0.606 1.00 0.00 H new ATOM 859 N GLN A 52 3.127 -18.868 3.464 1.00 0.00 N ATOM 860 CA GLN A 52 1.883 -18.314 2.932 1.00 0.00 C ATOM 861 C GLN A 52 1.244 -17.353 3.933 1.00 0.00 C ATOM 862 O GLN A 52 0.894 -16.220 3.592 1.00 0.00 O ATOM 863 CB GLN A 52 0.898 -19.436 2.601 1.00 0.00 C ATOM 864 CG GLN A 52 -0.497 -18.945 2.278 1.00 0.00 C ATOM 865 CD GLN A 52 -1.485 -20.070 2.141 1.00 0.00 C ATOM 866 OE1 GLN A 52 -1.725 -20.572 1.054 1.00 0.00 O ATOM 867 NE2 GLN A 52 -2.047 -20.492 3.253 1.00 0.00 N ATOM 0 H GLN A 52 3.150 -19.887 3.504 1.00 0.00 H new ATOM 0 HA GLN A 52 2.123 -17.765 2.021 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.279 -20.004 1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.845 -20.122 3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.831 -18.266 3.063 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.472 -18.373 1.351 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.819 -20.045 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.711 -21.266 3.227 1.00 0.00 H new ATOM 876 N GLU A 53 1.130 -17.806 5.168 1.00 0.00 N ATOM 877 CA GLU A 53 0.514 -17.027 6.222 1.00 0.00 C ATOM 878 C GLU A 53 1.289 -15.741 6.501 1.00 0.00 C ATOM 879 O GLU A 53 0.697 -14.680 6.663 1.00 0.00 O ATOM 880 CB GLU A 53 0.373 -17.876 7.477 1.00 0.00 C ATOM 881 CG GLU A 53 -1.041 -18.398 7.709 1.00 0.00 C ATOM 882 CD GLU A 53 -1.720 -18.909 6.447 1.00 0.00 C ATOM 883 OE1 GLU A 53 -1.285 -19.932 5.903 1.00 0.00 O ATOM 884 OE2 GLU A 53 -2.721 -18.295 6.019 1.00 0.00 O ATOM 0 H GLU A 53 1.462 -18.723 5.467 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.480 -16.727 5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.057 -18.722 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.679 -17.285 8.341 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.006 -19.203 8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.647 -17.601 8.139 1.00 0.00 H new ATOM 891 N LYS A 54 2.614 -15.834 6.531 1.00 0.00 N ATOM 892 CA LYS A 54 3.456 -14.654 6.749 1.00 0.00 C ATOM 893 C LYS A 54 3.268 -13.657 5.609 1.00 0.00 C ATOM 894 O LYS A 54 3.133 -12.455 5.835 1.00 0.00 O ATOM 895 CB LYS A 54 4.933 -15.060 6.845 1.00 0.00 C ATOM 896 CG LYS A 54 5.288 -15.898 8.075 1.00 0.00 C ATOM 897 CD LYS A 54 5.715 -15.036 9.268 1.00 0.00 C ATOM 898 CE LYS A 54 4.587 -14.157 9.791 1.00 0.00 C ATOM 899 NZ LYS A 54 4.995 -13.395 10.991 1.00 0.00 N ATOM 0 H LYS A 54 3.129 -16.706 6.409 1.00 0.00 H new ATOM 0 HA LYS A 54 3.158 -14.185 7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.200 -15.622 5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.544 -14.157 6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.428 -16.504 8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.094 -16.587 7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.068 -15.683 10.071 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.555 -14.406 8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.274 -13.464 9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.724 -14.778 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.200 -12.809 11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.270 -14.056 11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.803 -12.783 10.756 1.00 0.00 H new ATOM 913 N ILE A 55 3.250 -14.169 4.394 1.00 0.00 N ATOM 914 CA ILE A 55 3.070 -13.324 3.226 1.00 0.00 C ATOM 915 C ILE A 55 1.720 -12.606 3.284 1.00 0.00 C ATOM 916 O ILE A 55 1.653 -11.393 3.121 1.00 0.00 O ATOM 917 CB ILE A 55 3.196 -14.111 1.899 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.606 -14.693 1.760 1.00 0.00 C ATOM 919 CG2 ILE A 55 2.880 -13.205 0.713 1.00 0.00 C ATOM 920 CD1 ILE A 55 4.791 -15.560 0.531 1.00 0.00 C ATOM 0 H ILE A 55 3.357 -15.162 4.188 1.00 0.00 H new ATOM 0 HA ILE A 55 3.873 -12.587 3.244 1.00 0.00 H new ATOM 0 HB ILE A 55 2.478 -14.931 1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.325 -13.875 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.835 -15.283 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.973 -13.772 -0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.862 -12.826 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.579 -12.369 0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.814 -15.936 0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.097 -16.400 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.595 -14.969 -0.364 1.00 0.00 H new ATOM 932 N ILE A 56 0.657 -13.360 3.553 1.00 0.00 N ATOM 933 CA ILE A 56 -0.690 -12.794 3.639 1.00 0.00 C ATOM 934 C ILE A 56 -0.800 -11.780 4.783 1.00 0.00 C ATOM 935 O ILE A 56 -1.406 -10.720 4.623 1.00 0.00 O ATOM 936 CB ILE A 56 -1.765 -13.901 3.825 1.00 0.00 C ATOM 937 CG1 ILE A 56 -1.782 -14.830 2.608 1.00 0.00 C ATOM 938 CG2 ILE A 56 -3.148 -13.287 4.048 1.00 0.00 C ATOM 939 CD1 ILE A 56 -2.769 -15.972 2.720 1.00 0.00 C ATOM 0 H ILE A 56 0.701 -14.366 3.716 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.874 -12.282 2.694 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.508 -14.484 4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.019 -14.244 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.783 -15.240 2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.883 -14.082 4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.129 -12.663 4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.419 -12.677 3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.721 -16.584 1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.521 -16.583 3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.777 -15.572 2.834 1.00 0.00 H new ATOM 951 N ARG A 57 -0.188 -12.088 5.918 1.00 0.00 N ATOM 952 CA ARG A 57 -0.273 -11.209 7.080 1.00 0.00 C ATOM 953 C ARG A 57 0.467 -9.897 6.857 1.00 0.00 C ATOM 954 O ARG A 57 -0.031 -8.829 7.230 1.00 0.00 O ATOM 955 CB ARG A 57 0.220 -11.914 8.350 1.00 0.00 C ATOM 956 CG ARG A 57 -0.900 -12.569 9.154 1.00 0.00 C ATOM 957 CD ARG A 57 -1.576 -13.690 8.380 1.00 0.00 C ATOM 958 NE ARG A 57 -2.824 -14.132 9.007 1.00 0.00 N ATOM 959 CZ ARG A 57 -2.970 -15.262 9.704 1.00 0.00 C ATOM 960 NH1 ARG A 57 -1.915 -16.034 9.964 1.00 0.00 N ATOM 961 NH2 ARG A 57 -4.171 -15.609 10.158 1.00 0.00 N ATOM 0 H ARG A 57 0.368 -12.931 6.061 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.326 -10.965 7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.951 -12.674 8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.735 -11.190 8.982 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.494 -12.965 10.085 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.641 -11.816 9.423 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.783 -13.352 7.365 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.893 -14.536 8.302 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.642 -13.532 8.904 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.990 -15.763 9.630 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.033 -16.896 10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.978 -15.013 9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.285 -16.471 10.691 1.00 0.00 H new ATOM 975 N GLU A 58 1.640 -9.958 6.249 1.00 0.00 N ATOM 976 CA GLU A 58 2.382 -8.739 5.967 1.00 0.00 C ATOM 977 C GLU A 58 1.749 -7.974 4.819 1.00 0.00 C ATOM 978 O GLU A 58 1.740 -6.745 4.810 1.00 0.00 O ATOM 979 CB GLU A 58 3.862 -9.014 5.685 1.00 0.00 C ATOM 980 CG GLU A 58 4.732 -9.030 6.935 1.00 0.00 C ATOM 981 CD GLU A 58 4.334 -10.100 7.923 1.00 0.00 C ATOM 982 OE1 GLU A 58 3.426 -9.853 8.738 1.00 0.00 O ATOM 983 OE2 GLU A 58 4.938 -11.193 7.896 1.00 0.00 O ATOM 0 H GLU A 58 2.093 -10.820 5.946 1.00 0.00 H new ATOM 0 HA GLU A 58 2.335 -8.122 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.953 -9.974 5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.239 -8.254 5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.772 -9.181 6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.676 -8.056 7.422 1.00 0.00 H new ATOM 990 N LEU A 59 1.203 -8.698 3.862 1.00 0.00 N ATOM 991 CA LEU A 59 0.534 -8.091 2.727 1.00 0.00 C ATOM 992 C LEU A 59 -0.667 -7.277 3.227 1.00 0.00 C ATOM 993 O LEU A 59 -0.882 -6.133 2.814 1.00 0.00 O ATOM 994 CB LEU A 59 0.097 -9.200 1.750 1.00 0.00 C ATOM 995 CG LEU A 59 -0.197 -8.788 0.305 1.00 0.00 C ATOM 996 CD1 LEU A 59 -0.038 -9.978 -0.620 1.00 0.00 C ATOM 997 CD2 LEU A 59 -1.594 -8.206 0.182 1.00 0.00 C ATOM 0 H LEU A 59 1.210 -9.718 3.848 1.00 0.00 H new ATOM 0 HA LEU A 59 1.207 -7.415 2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.878 -9.960 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.798 -9.672 2.155 1.00 0.00 H new ATOM 0 HG LEU A 59 0.518 -8.018 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.250 -9.673 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.983 -10.354 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.733 -10.764 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.779 -7.921 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.327 -8.952 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.680 -7.327 0.821 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.424 -7.881 4.141 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.610 -7.259 4.740 1.00 0.00 C ATOM 1011 C ASP A 60 -2.264 -5.989 5.520 1.00 0.00 C ATOM 1012 O ASP A 60 -2.897 -4.949 5.328 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.310 -8.259 5.670 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.513 -7.671 6.387 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -4.332 -7.031 7.440 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -5.650 -7.872 5.914 1.00 0.00 O ATOM 0 H ASP A 60 -1.234 -8.820 4.491 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.276 -6.976 3.925 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.629 -9.124 5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.595 -8.619 6.410 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.247 -6.068 6.380 1.00 0.00 N ATOM 1022 CA VAL A 61 -0.880 -4.924 7.222 1.00 0.00 C ATOM 1023 C VAL A 61 -0.437 -3.722 6.372 1.00 0.00 C ATOM 1024 O VAL A 61 -0.741 -2.569 6.698 1.00 0.00 O ATOM 1025 CB VAL A 61 0.212 -5.284 8.281 1.00 0.00 C ATOM 1026 CG1 VAL A 61 1.542 -5.617 7.632 1.00 0.00 C ATOM 1027 CG2 VAL A 61 0.377 -4.162 9.291 1.00 0.00 C ATOM 0 H VAL A 61 -0.669 -6.898 6.512 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.780 -4.645 7.771 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.130 -6.177 8.805 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.272 -5.861 8.403 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.418 -6.471 6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.893 -4.758 7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.142 -4.436 10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.676 -3.249 8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.569 -3.994 9.806 1.00 0.00 H new ATOM 1037 N VAL A 62 0.244 -3.999 5.268 1.00 0.00 N ATOM 1038 CA VAL A 62 0.684 -2.947 4.366 1.00 0.00 C ATOM 1039 C VAL A 62 -0.502 -2.392 3.590 1.00 0.00 C ATOM 1040 O VAL A 62 -0.603 -1.183 3.383 1.00 0.00 O ATOM 1041 CB VAL A 62 1.767 -3.442 3.377 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.174 -2.327 2.426 1.00 0.00 C ATOM 1043 CG2 VAL A 62 2.981 -3.959 4.134 1.00 0.00 C ATOM 0 H VAL A 62 0.503 -4.942 4.977 1.00 0.00 H new ATOM 0 HA VAL A 62 1.127 -2.161 4.978 1.00 0.00 H new ATOM 0 HB VAL A 62 1.347 -4.260 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.936 -2.695 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.304 -1.996 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.575 -1.490 2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.733 -4.303 3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.398 -3.158 4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.683 -4.787 4.777 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.418 -3.262 3.195 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.597 -2.823 2.465 1.00 0.00 C ATOM 1055 C CYS A 63 -3.433 -1.894 3.323 1.00 0.00 C ATOM 1056 O CYS A 63 -3.902 -0.869 2.860 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.438 -4.005 1.992 1.00 0.00 C ATOM 1058 SG CYS A 63 -2.648 -5.001 0.712 1.00 0.00 S ATOM 0 H CYS A 63 -1.370 -4.267 3.365 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.257 -2.283 1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.663 -4.643 2.847 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.389 -3.632 1.613 1.00 0.00 H new ATOM 0 HG CYS A 63 -1.581 -5.564 1.197 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.561 -2.242 4.594 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.361 -1.475 5.531 1.00 0.00 C ATOM 1066 C ALA A 64 -3.766 -0.098 5.768 1.00 0.00 C ATOM 1067 O ALA A 64 -4.489 0.903 5.766 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.463 -2.222 6.841 1.00 0.00 C ATOM 0 H ALA A 64 -3.114 -3.063 5.003 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.355 -1.343 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.064 -1.644 7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.933 -3.191 6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.465 -2.370 7.254 1.00 0.00 H new ATOM 1074 N MET A 65 -2.459 -0.031 5.969 1.00 0.00 N ATOM 1075 CA MET A 65 -1.819 1.253 6.207 1.00 0.00 C ATOM 1076 C MET A 65 -1.856 2.108 4.941 1.00 0.00 C ATOM 1077 O MET A 65 -2.006 3.328 5.007 1.00 0.00 O ATOM 1078 CB MET A 65 -0.376 1.080 6.707 1.00 0.00 C ATOM 1079 CG MET A 65 0.606 0.651 5.639 1.00 0.00 C ATOM 1080 SD MET A 65 2.298 0.533 6.245 1.00 0.00 S ATOM 1081 CE MET A 65 2.142 -0.847 7.369 1.00 0.00 C ATOM 0 H MET A 65 -1.831 -0.834 5.972 1.00 0.00 H new ATOM 0 HA MET A 65 -2.377 1.765 6.991 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.038 2.022 7.138 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.368 0.342 7.509 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.301 -0.316 5.240 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.570 1.362 4.814 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.219 -0.490 8.396 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.174 -1.327 7.223 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.937 -1.567 7.174 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.735 1.456 3.788 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.790 2.148 2.511 1.00 0.00 C ATOM 1093 C ILE A 66 -3.200 2.670 2.233 1.00 0.00 C ATOM 1094 O ILE A 66 -3.369 3.832 1.861 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.280 1.245 1.333 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.206 1.516 1.045 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -2.105 1.450 0.062 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.130 1.298 2.226 1.00 0.00 C ATOM 0 H ILE A 66 -1.598 0.448 3.715 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.117 3.003 2.576 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.399 0.208 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.527 0.872 0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.314 2.545 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.720 0.807 -0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.147 1.198 0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.037 2.492 -0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.157 1.513 1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.841 1.962 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.058 0.262 2.558 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.212 1.830 2.466 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.593 2.219 2.230 1.00 0.00 C ATOM 1112 C GLU A 67 -6.011 3.324 3.192 1.00 0.00 C ATOM 1113 O GLU A 67 -6.770 4.227 2.833 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.539 1.016 2.329 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.367 0.019 1.193 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.350 -1.130 1.259 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -7.055 -2.131 1.931 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -8.426 -1.038 0.622 1.00 0.00 O ATOM 0 H GLU A 67 -4.095 0.879 2.817 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.662 2.606 1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.370 0.507 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.569 1.372 2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.486 0.537 0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.352 -0.377 1.216 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.489 3.256 4.411 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.802 4.251 5.413 1.00 0.00 C ATOM 1127 C GLY A 68 -5.204 5.608 5.091 1.00 0.00 C ATOM 1128 O GLY A 68 -5.882 6.635 5.174 1.00 0.00 O ATOM 0 H GLY A 68 -4.851 2.524 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.884 4.346 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.432 3.915 6.382 1.00 0.00 H new ATOM 1132 N ALA A 69 -3.934 5.607 4.702 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.229 6.837 4.374 1.00 0.00 C ATOM 1134 C ALA A 69 -3.753 7.436 3.079 1.00 0.00 C ATOM 1135 O ALA A 69 -3.945 8.646 2.990 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.731 6.588 4.281 1.00 0.00 C ATOM 0 H ALA A 69 -3.370 4.762 4.606 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.410 7.553 5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.222 7.520 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.364 6.216 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.532 5.850 3.504 1.00 0.00 H new ATOM 1142 N GLN A 70 -3.998 6.593 2.079 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.500 7.087 0.801 1.00 0.00 C ATOM 1144 C GLN A 70 -5.874 7.728 0.996 1.00 0.00 C ATOM 1145 O GLN A 70 -6.166 8.764 0.430 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.545 6.002 -0.282 1.00 0.00 C ATOM 1147 CG GLN A 70 -5.653 4.995 -0.120 1.00 0.00 C ATOM 1148 CD GLN A 70 -5.826 4.135 -1.342 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -5.263 3.050 -1.440 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -6.575 4.638 -2.302 1.00 0.00 N ATOM 0 H GLN A 70 -3.860 5.583 2.126 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.798 7.840 0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.649 6.483 -1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.591 5.474 -0.288 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.442 4.361 0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.587 5.516 0.090 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.024 5.545 -2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.706 4.120 -3.171 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.687 7.109 1.856 1.00 0.00 N ATOM 1160 CA GLY A 71 -8.019 7.619 2.132 1.00 0.00 C ATOM 1161 C GLY A 71 -7.960 8.973 2.798 1.00 0.00 C ATOM 1162 O GLY A 71 -8.731 9.888 2.472 1.00 0.00 O ATOM 0 H GLY A 71 -6.442 6.260 2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.583 7.693 1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.553 6.918 2.774 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.015 9.102 3.719 1.00 0.00 N ATOM 1167 CA ALA A 72 -6.808 10.338 4.439 1.00 0.00 C ATOM 1168 C ALA A 72 -6.340 11.406 3.469 1.00 0.00 C ATOM 1169 O ALA A 72 -6.917 12.490 3.390 1.00 0.00 O ATOM 1170 CB ALA A 72 -5.791 10.142 5.556 1.00 0.00 C ATOM 0 H ALA A 72 -6.376 8.352 3.983 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.747 10.653 4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.648 11.083 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.155 9.385 6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.841 9.818 5.131 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.291 11.070 2.720 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.721 11.957 1.720 1.00 0.00 C ATOM 1178 C LEU A 73 -5.750 12.423 0.727 1.00 0.00 C ATOM 1179 O LEU A 73 -5.879 13.613 0.495 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.594 11.262 0.969 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.290 11.093 1.727 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -1.319 10.280 0.896 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.698 12.453 2.060 1.00 0.00 C ATOM 0 H LEU A 73 -4.815 10.171 2.794 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.335 12.826 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.943 10.276 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.391 11.825 0.058 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.483 10.565 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.384 10.160 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.748 9.299 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.126 10.795 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.763 12.319 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.507 13.002 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.400 13.014 2.677 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.487 11.479 0.147 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.469 11.797 -0.877 1.00 0.00 C ATOM 1197 C GLU A 74 -8.455 12.867 -0.396 1.00 0.00 C ATOM 1198 O GLU A 74 -8.636 13.897 -1.050 1.00 0.00 O ATOM 1199 CB GLU A 74 -8.208 10.527 -1.346 1.00 0.00 C ATOM 1200 CG GLU A 74 -7.358 9.587 -2.202 1.00 0.00 C ATOM 1201 CD GLU A 74 -8.104 8.327 -2.624 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -9.048 8.435 -3.437 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -7.741 7.219 -2.155 1.00 0.00 O ATOM 0 H GLU A 74 -6.420 10.486 0.372 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.933 12.209 -1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.562 9.982 -0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.089 10.822 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.022 10.119 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.465 9.304 -1.644 1.00 0.00 H new ATOM 1210 N ARG A 75 -9.059 12.634 0.765 1.00 0.00 N ATOM 1211 CA ARG A 75 -10.022 13.584 1.333 1.00 0.00 C ATOM 1212 C ARG A 75 -9.376 14.957 1.560 1.00 0.00 C ATOM 1213 O ARG A 75 -9.996 15.994 1.304 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.583 13.045 2.648 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.375 11.760 2.491 1.00 0.00 C ATOM 1216 CD ARG A 75 -11.734 11.159 3.839 1.00 0.00 C ATOM 1217 NE ARG A 75 -12.470 9.903 3.693 1.00 0.00 N ATOM 1218 CZ ARG A 75 -12.056 8.717 4.157 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -10.896 8.613 4.805 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -12.803 7.635 3.967 1.00 0.00 N ATOM 0 H ARG A 75 -8.903 11.801 1.332 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.837 13.705 0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.759 12.872 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.223 13.804 3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.286 11.959 1.926 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.793 11.041 1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.824 10.983 4.413 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.336 11.870 4.406 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.364 9.933 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.317 9.440 4.950 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.587 7.706 5.156 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.690 7.709 3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.490 6.731 4.320 1.00 0.00 H new ATOM 1234 N GLU A 76 -8.140 14.958 2.022 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.412 16.194 2.295 1.00 0.00 C ATOM 1236 C GLU A 76 -7.030 16.922 1.013 1.00 0.00 C ATOM 1237 O GLU A 76 -7.348 18.093 0.848 1.00 0.00 O ATOM 1238 CB GLU A 76 -6.158 15.886 3.106 1.00 0.00 C ATOM 1239 CG GLU A 76 -6.445 15.445 4.525 1.00 0.00 C ATOM 1240 CD GLU A 76 -6.973 16.573 5.371 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -6.149 17.336 5.923 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -8.208 16.712 5.481 1.00 0.00 O ATOM 0 H GLU A 76 -7.610 14.109 2.220 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.071 16.848 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.591 15.105 2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.525 16.773 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.170 14.632 4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.533 15.052 4.974 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.332 16.242 0.116 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.903 16.858 -1.137 1.00 0.00 C ATOM 1251 C LEU A 77 -7.063 17.395 -1.952 1.00 0.00 C ATOM 1252 O LEU A 77 -6.884 18.283 -2.775 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.988 15.913 -1.963 1.00 0.00 C ATOM 1254 CG LEU A 77 -5.512 14.507 -2.302 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -6.559 14.548 -3.405 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -4.354 13.598 -2.697 1.00 0.00 C ATOM 0 H LEU A 77 -6.050 15.268 0.228 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.300 17.725 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.751 16.415 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.051 15.797 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.993 14.105 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.905 13.536 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.402 15.160 -3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.121 14.977 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.736 12.605 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.848 14.011 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.649 13.527 -1.869 1.00 0.00 H new ATOM 1268 N LYS A 78 -8.258 16.895 -1.698 1.00 0.00 N ATOM 1269 CA LYS A 78 -9.426 17.354 -2.405 1.00 0.00 C ATOM 1270 C LYS A 78 -9.785 18.805 -2.041 1.00 0.00 C ATOM 1271 O LYS A 78 -10.574 19.450 -2.732 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.590 16.419 -2.146 1.00 0.00 C ATOM 1273 CG LYS A 78 -10.554 15.187 -3.034 1.00 0.00 C ATOM 1274 CD LYS A 78 -10.783 15.546 -4.493 1.00 0.00 C ATOM 1275 CE LYS A 78 -10.425 14.392 -5.408 1.00 0.00 C ATOM 1276 NZ LYS A 78 -10.705 14.711 -6.830 1.00 0.00 N ATOM 0 H LYS A 78 -8.439 16.169 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.200 17.345 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.578 16.110 -1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.525 16.954 -2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.591 14.688 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.317 14.480 -2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.827 15.821 -4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.184 16.418 -4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.369 14.149 -5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.990 13.507 -5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.447 13.898 -7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.717 14.918 -6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.147 15.540 -7.116 1.00 0.00 H new ATOM 1290 N ARG A 79 -9.208 19.300 -0.946 1.00 0.00 N ATOM 1291 CA ARG A 79 -9.471 20.661 -0.479 1.00 0.00 C ATOM 1292 C ARG A 79 -8.725 21.676 -1.340 1.00 0.00 C ATOM 1293 O ARG A 79 -9.059 22.862 -1.351 1.00 0.00 O ATOM 1294 CB ARG A 79 -9.021 20.830 0.979 1.00 0.00 C ATOM 1295 CG ARG A 79 -9.594 19.810 1.952 1.00 0.00 C ATOM 1296 CD ARG A 79 -11.073 20.017 2.204 1.00 0.00 C ATOM 1297 NE ARG A 79 -11.571 19.067 3.199 1.00 0.00 N ATOM 1298 CZ ARG A 79 -11.780 19.356 4.486 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -11.590 20.592 4.937 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -12.174 18.406 5.321 1.00 0.00 N ATOM 0 H ARG A 79 -8.553 18.777 -0.364 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.545 20.834 -0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.933 20.774 1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.300 21.828 1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.433 18.806 1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.055 19.872 2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.248 21.036 2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.625 19.897 1.272 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.773 18.117 2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.283 21.326 4.299 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.751 20.806 5.921 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.317 17.455 4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.334 18.625 6.304 1.00 0.00 H new ATOM 1392 N LEU A 85 -1.369 21.699 -12.546 1.00 0.00 N ATOM 1393 CA LEU A 85 -0.425 20.711 -12.059 1.00 0.00 C ATOM 1394 C LEU A 85 -1.088 19.860 -10.985 1.00 0.00 C ATOM 1395 O LEU A 85 -0.954 18.637 -10.985 1.00 0.00 O ATOM 1396 CB LEU A 85 0.829 21.420 -11.498 1.00 0.00 C ATOM 1397 CG LEU A 85 2.123 20.585 -11.390 1.00 0.00 C ATOM 1398 CD1 LEU A 85 3.299 21.489 -11.071 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.005 19.499 -10.330 1.00 0.00 C ATOM 0 HA LEU A 85 -0.117 20.062 -12.879 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.037 22.286 -12.127 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.587 21.798 -10.505 1.00 0.00 H new ATOM 0 HG LEU A 85 2.285 20.098 -12.352 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.208 20.891 -10.997 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.415 22.229 -11.863 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.121 21.997 -10.123 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.935 18.933 -10.284 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.810 19.957 -9.360 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.185 18.828 -10.586 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.823 20.518 -10.084 1.00 0.00 N ATOM 1412 CA GLU A 86 -2.506 19.830 -8.993 1.00 0.00 C ATOM 1413 C GLU A 86 -3.395 18.712 -9.518 1.00 0.00 C ATOM 1414 O GLU A 86 -3.230 17.559 -9.143 1.00 0.00 O ATOM 1415 CB GLU A 86 -3.349 20.811 -8.171 1.00 0.00 C ATOM 1416 CG GLU A 86 -2.541 21.846 -7.407 1.00 0.00 C ATOM 1417 CD GLU A 86 -1.632 21.230 -6.364 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -2.146 20.744 -5.332 1.00 0.00 O ATOM 1419 OE2 GLU A 86 -0.402 21.253 -6.557 1.00 0.00 O ATOM 0 H GLU A 86 -1.958 21.529 -10.092 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.738 19.396 -8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.038 21.327 -8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.955 20.246 -7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.940 22.423 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.222 22.545 -6.921 1.00 0.00 H new ATOM 1426 N ARG A 87 -4.311 19.050 -10.419 1.00 0.00 N ATOM 1427 CA ARG A 87 -5.240 18.075 -10.965 1.00 0.00 C ATOM 1428 C ARG A 87 -4.506 16.930 -11.648 1.00 0.00 C ATOM 1429 O ARG A 87 -4.805 15.761 -11.414 1.00 0.00 O ATOM 1430 CB ARG A 87 -6.216 18.742 -11.940 1.00 0.00 C ATOM 1431 CG ARG A 87 -7.239 17.790 -12.549 1.00 0.00 C ATOM 1432 CD ARG A 87 -8.215 18.533 -13.450 1.00 0.00 C ATOM 1433 NE ARG A 87 -7.527 19.270 -14.513 1.00 0.00 N ATOM 1434 CZ ARG A 87 -7.942 20.442 -15.011 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -9.085 20.985 -14.587 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -7.227 21.057 -15.947 1.00 0.00 N ATOM 0 H ARG A 87 -4.428 19.995 -10.786 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.809 17.660 -10.133 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.744 19.540 -11.419 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.647 19.209 -12.744 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.725 17.019 -13.123 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.787 17.284 -11.754 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.912 17.822 -13.894 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.805 19.227 -12.851 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.675 18.863 -14.900 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.646 20.507 -13.881 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.398 21.878 -14.969 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.362 20.637 -16.286 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.543 21.950 -16.326 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.526 17.286 -12.480 1.00 0.00 N ATOM 1451 CA PHE A 88 -2.755 16.303 -13.235 1.00 0.00 C ATOM 1452 C PHE A 88 -1.994 15.353 -12.307 1.00 0.00 C ATOM 1453 O PHE A 88 -1.992 14.139 -12.516 1.00 0.00 O ATOM 1454 CB PHE A 88 -1.780 17.021 -14.181 1.00 0.00 C ATOM 1455 CG PHE A 88 -0.962 16.096 -15.039 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -1.531 15.456 -16.130 1.00 0.00 C ATOM 1457 CD2 PHE A 88 0.379 15.871 -14.760 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -0.781 14.609 -16.922 1.00 0.00 C ATOM 1459 CE2 PHE A 88 1.132 15.024 -15.548 1.00 0.00 C ATOM 1460 CZ PHE A 88 0.550 14.393 -16.631 1.00 0.00 C ATOM 0 H PHE A 88 -3.248 18.253 -12.647 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.451 15.703 -13.821 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.346 17.693 -14.827 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.106 17.640 -13.589 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.572 15.622 -16.363 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.839 16.364 -13.916 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.236 14.116 -17.768 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.174 14.855 -15.319 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.137 13.731 -17.250 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.368 15.911 -11.282 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.580 15.120 -10.337 1.00 0.00 C ATOM 1472 C ASN A 89 -1.487 14.221 -9.496 1.00 0.00 C ATOM 1473 O ASN A 89 -1.228 13.030 -9.352 1.00 0.00 O ATOM 1474 CB ASN A 89 0.262 16.033 -9.433 1.00 0.00 C ATOM 1475 CG ASN A 89 1.414 15.300 -8.750 1.00 0.00 C ATOM 1476 OD1 ASN A 89 1.335 14.108 -8.465 1.00 0.00 O ATOM 1477 ND2 ASN A 89 2.495 16.016 -8.493 1.00 0.00 N ATOM 0 H ASN A 89 -1.388 16.910 -11.079 1.00 0.00 H new ATOM 0 HA ASN A 89 0.097 14.485 -10.908 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.663 16.854 -10.028 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -0.382 16.475 -8.672 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.300 15.580 -8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.524 17.004 -8.744 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.553 14.802 -8.949 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.528 14.052 -8.143 1.00 0.00 C ATOM 1486 C TYR A 90 -4.058 12.848 -8.918 1.00 0.00 C ATOM 1487 O TYR A 90 -4.004 11.714 -8.437 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.699 14.961 -7.751 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.383 16.007 -6.698 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -3.084 16.427 -6.456 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.399 16.578 -5.957 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -2.809 17.386 -5.508 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -5.137 17.534 -5.005 1.00 0.00 C ATOM 1494 CZ TYR A 90 -3.837 17.937 -4.783 1.00 0.00 C ATOM 1495 OH TYR A 90 -3.565 18.904 -3.842 1.00 0.00 O ATOM 0 H TYR A 90 -2.768 15.794 -9.047 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.024 13.699 -7.243 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.060 15.468 -8.646 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.515 14.337 -7.387 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.273 15.993 -7.022 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.419 16.267 -6.129 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.791 17.703 -5.335 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.945 17.967 -4.434 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.052 19.629 -4.257 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.563 13.111 -10.115 1.00 0.00 N ATOM 1506 CA GLU A 91 -5.082 12.065 -10.988 1.00 0.00 C ATOM 1507 C GLU A 91 -4.021 11.006 -11.286 1.00 0.00 C ATOM 1508 O GLU A 91 -4.325 9.817 -11.376 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.623 12.676 -12.281 1.00 0.00 C ATOM 1510 CG GLU A 91 -6.978 13.353 -12.122 1.00 0.00 C ATOM 1511 CD GLU A 91 -8.064 12.387 -11.678 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -8.454 11.512 -12.482 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -8.533 12.495 -10.524 1.00 0.00 O ATOM 0 H GLU A 91 -4.625 14.050 -10.508 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.900 11.566 -10.469 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.905 13.405 -12.655 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.705 11.893 -13.035 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.894 14.160 -11.394 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.266 13.808 -13.070 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.769 11.444 -11.415 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.665 10.535 -11.702 1.00 0.00 C ATOM 1522 C GLU A 92 -1.332 9.665 -10.498 1.00 0.00 C ATOM 1523 O GLU A 92 -1.177 8.448 -10.626 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.420 11.305 -12.149 1.00 0.00 C ATOM 1525 CG GLU A 92 0.802 10.421 -12.364 1.00 0.00 C ATOM 1526 CD GLU A 92 2.026 11.203 -12.774 1.00 0.00 C ATOM 1527 OE1 GLU A 92 2.758 11.688 -11.887 1.00 0.00 O ATOM 1528 OE2 GLU A 92 2.272 11.324 -13.994 1.00 0.00 O ATOM 0 H GLU A 92 -2.496 12.423 -11.325 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.987 9.886 -12.516 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.643 11.833 -13.076 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.183 12.061 -11.401 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.016 9.876 -11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.577 9.679 -13.130 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.237 10.286 -9.322 1.00 0.00 N ATOM 1536 CA ALA A 93 -0.906 9.565 -8.105 1.00 0.00 C ATOM 1537 C ALA A 93 -1.990 8.555 -7.801 1.00 0.00 C ATOM 1538 O ALA A 93 -1.714 7.423 -7.408 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.732 10.534 -6.942 1.00 0.00 C ATOM 0 H ALA A 93 -1.386 11.287 -9.192 1.00 0.00 H new ATOM 0 HA ALA A 93 0.037 9.038 -8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.484 9.977 -6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.072 11.234 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.659 11.085 -6.786 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.232 8.983 -8.005 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.395 8.143 -7.800 1.00 0.00 C ATOM 1547 C GLN A 94 -4.368 6.973 -8.773 1.00 0.00 C ATOM 1548 O GLN A 94 -4.748 5.853 -8.434 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.658 8.968 -8.005 1.00 0.00 C ATOM 1550 CG GLN A 94 -6.940 8.238 -7.682 1.00 0.00 C ATOM 1551 CD GLN A 94 -8.157 9.064 -8.008 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -8.639 9.836 -7.183 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -8.658 8.918 -9.215 1.00 0.00 N ATOM 0 H GLN A 94 -3.455 9.928 -8.319 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.385 7.751 -6.783 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.598 9.862 -7.385 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.695 9.301 -9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.976 7.303 -8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.952 7.977 -6.624 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.227 8.266 -9.870 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.477 9.457 -9.496 1.00 0.00 H new ATOM 1562 N THR A 95 -3.935 7.251 -9.989 1.00 0.00 N ATOM 1563 CA THR A 95 -3.782 6.217 -10.981 1.00 0.00 C ATOM 1564 C THR A 95 -2.793 5.161 -10.498 1.00 0.00 C ATOM 1565 O THR A 95 -3.085 3.965 -10.532 1.00 0.00 O ATOM 1566 CB THR A 95 -3.329 6.786 -12.346 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.364 7.620 -12.882 1.00 0.00 O ATOM 1568 CG2 THR A 95 -3.025 5.663 -13.336 1.00 0.00 C ATOM 0 H THR A 95 -3.684 8.187 -10.308 1.00 0.00 H new ATOM 0 HA THR A 95 -4.760 5.757 -11.124 1.00 0.00 H new ATOM 0 HB THR A 95 -2.420 7.367 -12.191 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.431 8.441 -12.351 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.709 6.092 -14.287 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.228 5.034 -12.939 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.921 5.061 -13.489 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.644 5.598 -9.990 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.627 4.671 -9.545 1.00 0.00 C ATOM 1578 C LEU A 96 -1.074 3.900 -8.310 1.00 0.00 C ATOM 1579 O LEU A 96 -0.833 2.698 -8.208 1.00 0.00 O ATOM 1580 CB LEU A 96 0.690 5.397 -9.252 1.00 0.00 C ATOM 1581 CG LEU A 96 1.290 6.188 -10.419 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.546 6.922 -9.980 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.594 5.268 -11.593 1.00 0.00 C ATOM 0 H LEU A 96 -1.402 6.583 -9.880 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.467 3.960 -10.356 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.528 6.081 -8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.423 4.661 -8.922 1.00 0.00 H new ATOM 0 HG LEU A 96 0.556 6.926 -10.742 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.956 7.477 -10.823 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.300 7.614 -9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.284 6.202 -9.627 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.019 5.850 -12.411 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.307 4.505 -11.282 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.674 4.790 -11.928 1.00 0.00 H new ATOM 1595 N SER A 97 -1.736 4.591 -7.376 1.00 0.00 N ATOM 1596 CA SER A 97 -2.175 3.962 -6.143 1.00 0.00 C ATOM 1597 C SER A 97 -3.121 2.801 -6.420 1.00 0.00 C ATOM 1598 O SER A 97 -2.934 1.701 -5.904 1.00 0.00 O ATOM 1599 CB SER A 97 -2.808 4.982 -5.184 1.00 0.00 C ATOM 1600 OG SER A 97 -3.884 5.673 -5.792 1.00 0.00 O ATOM 0 H SER A 97 -1.975 5.579 -7.457 1.00 0.00 H new ATOM 0 HA SER A 97 -1.291 3.557 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.163 4.470 -4.290 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.051 5.697 -4.862 1.00 0.00 H new ATOM 0 HG SER A 97 -3.879 5.503 -6.757 1.00 0.00 H new ATOM 1606 N LYS A 98 -4.125 3.045 -7.267 1.00 0.00 N ATOM 1607 CA LYS A 98 -5.096 2.019 -7.613 1.00 0.00 C ATOM 1608 C LYS A 98 -4.425 0.842 -8.302 1.00 0.00 C ATOM 1609 O LYS A 98 -4.788 -0.310 -8.066 1.00 0.00 O ATOM 1610 CB LYS A 98 -6.204 2.596 -8.493 1.00 0.00 C ATOM 1611 CG LYS A 98 -7.060 3.638 -7.793 1.00 0.00 C ATOM 1612 CD LYS A 98 -8.159 4.156 -8.701 1.00 0.00 C ATOM 1613 CE LYS A 98 -9.031 5.177 -7.990 1.00 0.00 C ATOM 1614 NZ LYS A 98 -10.110 5.698 -8.866 1.00 0.00 N ATOM 0 H LYS A 98 -4.281 3.944 -7.722 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.545 1.658 -6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.755 3.043 -9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.844 1.783 -8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.502 3.204 -6.896 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.432 4.468 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.717 4.608 -9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.775 3.323 -9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.473 4.721 -7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.412 6.006 -7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.680 6.391 -8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.690 6.156 -9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.718 4.912 -9.173 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.438 1.126 -9.152 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.703 0.065 -9.824 1.00 0.00 C ATOM 1630 C ILE A 99 -1.958 -0.791 -8.799 1.00 0.00 C ATOM 1631 O ILE A 99 -1.949 -2.024 -8.890 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.719 0.619 -10.910 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -2.428 0.751 -12.272 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.483 -0.271 -11.049 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -3.657 1.635 -12.267 1.00 0.00 C ATOM 0 H ILE A 99 -3.135 2.071 -9.387 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.429 -0.558 -10.346 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.394 1.607 -10.583 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.717 1.145 -12.998 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.715 -0.243 -12.614 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.179 0.142 -11.810 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.043 -0.314 -10.095 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.789 -1.276 -11.340 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.087 1.666 -13.268 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.392 1.233 -11.569 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.379 2.643 -11.960 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.364 -0.126 -7.810 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.653 -0.812 -6.743 1.00 0.00 C ATOM 1649 C LEU A 100 -1.594 -1.731 -5.979 1.00 0.00 C ATOM 1650 O LEU A 100 -1.302 -2.905 -5.772 1.00 0.00 O ATOM 1651 CB LEU A 100 0.002 0.191 -5.786 1.00 0.00 C ATOM 1652 CG LEU A 100 1.100 1.076 -6.390 1.00 0.00 C ATOM 1653 CD1 LEU A 100 1.598 2.078 -5.365 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.251 0.225 -6.907 1.00 0.00 C ATOM 0 H LEU A 100 -1.363 0.891 -7.729 1.00 0.00 H new ATOM 0 HA LEU A 100 0.133 -1.415 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.776 0.837 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.427 -0.361 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 100 0.675 1.624 -7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.376 2.698 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.771 2.710 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.005 1.547 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.019 0.871 -7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.675 -0.351 -6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.884 -0.455 -7.676 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.742 -1.186 -5.578 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.750 -1.951 -4.851 1.00 0.00 C ATOM 1668 C LEU A 101 -4.192 -3.170 -5.646 1.00 0.00 C ATOM 1669 O LEU A 101 -4.327 -4.261 -5.081 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.968 -1.081 -4.502 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.913 -0.326 -3.161 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -4.804 -1.300 -1.999 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -3.764 0.665 -3.135 1.00 0.00 C ATOM 0 H LEU A 101 -2.996 -0.213 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.291 -2.289 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.105 -0.350 -5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.852 -1.718 -4.498 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.842 0.234 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.767 -0.745 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.671 -1.961 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.896 -1.894 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.751 1.182 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.822 0.134 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.892 1.392 -3.937 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.410 -2.998 -6.952 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.790 -4.117 -7.808 1.00 0.00 C ATOM 1687 C LYS A 102 -3.724 -5.203 -7.789 1.00 0.00 C ATOM 1688 O LYS A 102 -4.050 -6.391 -7.706 1.00 0.00 O ATOM 1689 CB LYS A 102 -5.021 -3.664 -9.253 1.00 0.00 C ATOM 1690 CG LYS A 102 -6.214 -2.739 -9.453 1.00 0.00 C ATOM 1691 CD LYS A 102 -6.482 -2.497 -10.936 1.00 0.00 C ATOM 1692 CE LYS A 102 -5.291 -1.842 -11.628 1.00 0.00 C ATOM 1693 NZ LYS A 102 -5.459 -1.795 -13.102 1.00 0.00 N ATOM 0 H LYS A 102 -4.330 -2.102 -7.433 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.723 -4.519 -7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.123 -3.157 -9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.156 -4.547 -9.878 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.098 -3.175 -8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.028 -1.788 -8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.709 -3.445 -11.424 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.361 -1.862 -11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.162 -0.829 -11.246 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.383 -2.393 -11.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.627 -1.342 -13.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.556 -2.762 -13.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.311 -1.247 -13.337 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.454 -4.813 -7.865 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.380 -5.798 -7.877 1.00 0.00 C ATOM 1709 C ASP A 103 -1.266 -6.496 -6.525 1.00 0.00 C ATOM 1710 O ASP A 103 -0.980 -7.693 -6.471 1.00 0.00 O ATOM 1711 CB ASP A 103 -0.042 -5.170 -8.271 1.00 0.00 C ATOM 1712 CG ASP A 103 0.936 -6.200 -8.823 1.00 0.00 C ATOM 1713 OD1 ASP A 103 1.559 -6.932 -8.027 1.00 0.00 O ATOM 1714 OD2 ASP A 103 1.077 -6.287 -10.072 1.00 0.00 O ATOM 0 H ASP A 103 -2.149 -3.841 -7.918 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.632 -6.543 -8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.212 -4.396 -9.019 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.399 -4.682 -7.402 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.505 -5.767 -5.420 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.499 -6.393 -4.095 1.00 0.00 C ATOM 1721 C LEU A 104 -2.616 -7.425 -4.001 1.00 0.00 C ATOM 1722 O LEU A 104 -2.412 -8.532 -3.516 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.671 -5.341 -2.979 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.383 -4.712 -2.406 1.00 0.00 C ATOM 1725 CD1 LEU A 104 0.514 -5.773 -1.788 1.00 0.00 C ATOM 1726 CD2 LEU A 104 0.370 -3.929 -3.465 1.00 0.00 C ATOM 0 H LEU A 104 -1.700 -4.766 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.535 -6.883 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.298 -4.537 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.216 -5.805 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.681 -4.015 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.414 -5.303 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.019 -6.274 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.791 -6.503 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.271 -3.500 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.645 -4.595 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.265 -3.129 -3.846 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.810 -7.036 -4.452 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.957 -7.944 -4.482 1.00 0.00 C ATOM 1740 C LYS A 105 -4.640 -9.189 -5.304 1.00 0.00 C ATOM 1741 O LYS A 105 -5.087 -10.295 -4.973 1.00 0.00 O ATOM 1742 CB LYS A 105 -6.194 -7.232 -5.053 1.00 0.00 C ATOM 1743 CG LYS A 105 -7.161 -6.638 -4.011 1.00 0.00 C ATOM 1744 CD LYS A 105 -6.552 -5.496 -3.188 1.00 0.00 C ATOM 1745 CE LYS A 105 -5.711 -6.011 -2.028 1.00 0.00 C ATOM 1746 NZ LYS A 105 -5.227 -4.915 -1.157 1.00 0.00 N ATOM 0 H LYS A 105 -4.007 -6.098 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.172 -8.252 -3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.858 -6.429 -5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.745 -7.940 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.052 -6.272 -4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.484 -7.430 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.934 -4.873 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.350 -4.862 -2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.302 -6.710 -1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.858 -6.566 -2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.361 -5.217 -0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.022 -4.076 -1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.958 -4.681 -0.455 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.866 -9.009 -6.362 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.476 -10.121 -7.199 1.00 0.00 C ATOM 1762 C GLU A 106 -2.485 -11.026 -6.470 1.00 0.00 C ATOM 1763 O GLU A 106 -2.620 -12.248 -6.502 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.868 -9.634 -8.511 1.00 0.00 C ATOM 1765 CG GLU A 106 -2.579 -10.758 -9.489 1.00 0.00 C ATOM 1766 CD GLU A 106 -1.853 -10.290 -10.720 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -2.520 -9.793 -11.656 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -0.613 -10.414 -10.765 1.00 0.00 O ATOM 0 H GLU A 106 -3.499 -8.104 -6.657 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.375 -10.694 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.549 -8.921 -8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.943 -9.099 -8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.983 -11.522 -8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.518 -11.227 -9.783 1.00 0.00 H new ATOM 1775 N THR A 107 -1.506 -10.429 -5.794 1.00 0.00 N ATOM 1776 CA THR A 107 -0.499 -11.205 -5.092 1.00 0.00 C ATOM 1777 C THR A 107 -1.113 -12.026 -3.971 1.00 0.00 C ATOM 1778 O THR A 107 -0.925 -13.241 -3.929 1.00 0.00 O ATOM 1779 CB THR A 107 0.647 -10.326 -4.540 1.00 0.00 C ATOM 1780 OG1 THR A 107 0.171 -9.010 -4.271 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.803 -10.256 -5.520 1.00 0.00 C ATOM 0 H THR A 107 -1.393 -9.418 -5.720 1.00 0.00 H new ATOM 0 HA THR A 107 -0.069 -11.883 -5.829 1.00 0.00 H new ATOM 0 HB THR A 107 1.003 -10.781 -3.616 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.727 -9.060 -3.882 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.594 -9.631 -5.105 1.00 0.00 H new ATOM 0 HG22 THR A 107 2.189 -11.259 -5.699 1.00 0.00 H new ATOM 0 HG23 THR A 107 1.457 -9.827 -6.460 1.00 0.00 H new ATOM 1789 N GLU A 108 -1.856 -11.369 -3.070 1.00 0.00 N ATOM 1790 CA GLU A 108 -2.527 -12.066 -1.966 1.00 0.00 C ATOM 1791 C GLU A 108 -3.353 -13.243 -2.485 1.00 0.00 C ATOM 1792 O GLU A 108 -3.242 -14.355 -1.978 1.00 0.00 O ATOM 1793 CB GLU A 108 -3.403 -11.100 -1.150 1.00 0.00 C ATOM 1794 CG GLU A 108 -4.438 -10.349 -1.959 1.00 0.00 C ATOM 1795 CD GLU A 108 -5.393 -9.558 -1.101 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -4.996 -8.502 -0.580 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -6.564 -9.988 -0.956 1.00 0.00 O ATOM 0 H GLU A 108 -2.007 -10.360 -3.084 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.756 -12.459 -1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.912 -11.664 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.757 -10.377 -0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.932 -9.673 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.003 -11.058 -2.564 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.159 -12.983 -3.517 1.00 0.00 N ATOM 1805 CA GLN A 109 -4.985 -13.997 -4.158 1.00 0.00 C ATOM 1806 C GLN A 109 -4.140 -15.174 -4.650 1.00 0.00 C ATOM 1807 O GLN A 109 -4.514 -16.322 -4.457 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.743 -13.368 -5.322 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.639 -14.315 -6.098 1.00 0.00 C ATOM 1810 CD GLN A 109 -7.246 -13.650 -7.319 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -6.684 -13.699 -8.413 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -8.378 -13.006 -7.137 1.00 0.00 N ATOM 0 H GLN A 109 -4.254 -12.056 -3.931 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.693 -14.383 -3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -6.352 -12.550 -4.938 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.020 -12.931 -6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -6.063 -15.187 -6.409 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -7.436 -14.675 -5.447 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -8.812 -12.989 -6.214 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -8.822 -12.524 -7.919 1.00 0.00 H new ATOM 1821 N LYS A 110 -3.009 -14.880 -5.285 1.00 0.00 N ATOM 1822 CA LYS A 110 -2.113 -15.924 -5.775 1.00 0.00 C ATOM 1823 C LYS A 110 -1.491 -16.706 -4.614 1.00 0.00 C ATOM 1824 O LYS A 110 -1.370 -17.938 -4.661 1.00 0.00 O ATOM 1825 CB LYS A 110 -1.034 -15.330 -6.686 1.00 0.00 C ATOM 1826 CG LYS A 110 -1.606 -14.729 -7.964 1.00 0.00 C ATOM 1827 CD LYS A 110 -0.531 -14.134 -8.866 1.00 0.00 C ATOM 1828 CE LYS A 110 0.172 -12.951 -8.225 1.00 0.00 C ATOM 1829 NZ LYS A 110 0.972 -12.183 -9.217 1.00 0.00 N ATOM 0 H LYS A 110 -2.691 -13.929 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.702 -16.626 -6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.488 -14.560 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.315 -16.108 -6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.149 -15.499 -8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.327 -13.954 -7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.203 -14.903 -9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.983 -13.819 -9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.567 -12.294 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.824 -13.304 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.698 -11.627 -8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.431 -12.842 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.347 -11.543 -9.746 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.114 -15.973 -3.572 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.554 -16.561 -2.362 1.00 0.00 C ATOM 1845 C VAL A 111 -1.538 -17.551 -1.749 1.00 0.00 C ATOM 1846 O VAL A 111 -1.193 -18.694 -1.477 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.206 -15.463 -1.319 1.00 0.00 C ATOM 1848 CG1 VAL A 111 0.207 -16.076 0.007 1.00 0.00 C ATOM 1849 CG2 VAL A 111 0.893 -14.559 -1.843 1.00 0.00 C ATOM 0 H VAL A 111 -1.188 -14.956 -3.543 1.00 0.00 H new ATOM 0 HA VAL A 111 0.361 -17.084 -2.638 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.103 -14.866 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.444 -15.283 0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.611 -16.680 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.085 -16.705 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.123 -13.797 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.786 -15.151 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.561 -14.079 -2.764 1.00 0.00 H new ATOM 1859 N LYS A 112 -2.773 -17.104 -1.574 1.00 0.00 N ATOM 1860 CA LYS A 112 -3.821 -17.943 -1.005 1.00 0.00 C ATOM 1861 C LYS A 112 -4.308 -18.979 -2.012 1.00 0.00 C ATOM 1862 O LYS A 112 -5.017 -19.922 -1.662 1.00 0.00 O ATOM 1863 CB LYS A 112 -4.981 -17.085 -0.489 1.00 0.00 C ATOM 1864 CG LYS A 112 -5.555 -16.112 -1.496 1.00 0.00 C ATOM 1865 CD LYS A 112 -6.494 -15.129 -0.820 1.00 0.00 C ATOM 1866 CE LYS A 112 -7.793 -15.794 -0.433 1.00 0.00 C ATOM 1867 NZ LYS A 112 -8.573 -14.988 0.543 1.00 0.00 N ATOM 0 H LYS A 112 -3.076 -16.161 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.397 -18.483 -0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.779 -17.746 -0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.639 -16.524 0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.746 -15.571 -1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.091 -16.659 -2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.015 -14.716 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.695 -14.294 -1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.394 -15.959 -1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.583 -16.774 -0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.456 -15.486 0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.012 -14.852 1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.798 -14.062 0.127 1.00 0.00 H new ATOM 1881 N ASP A 113 -3.942 -18.777 -3.265 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.286 -19.712 -4.332 1.00 0.00 C ATOM 1883 C ASP A 113 -3.437 -20.968 -4.216 1.00 0.00 C ATOM 1884 O ASP A 113 -3.873 -22.064 -4.593 1.00 0.00 O ATOM 1885 CB ASP A 113 -4.093 -19.065 -5.708 1.00 0.00 C ATOM 1886 CG ASP A 113 -4.424 -19.994 -6.855 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -5.620 -20.160 -7.164 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -3.489 -20.557 -7.459 1.00 0.00 O ATOM 0 H ASP A 113 -3.402 -17.969 -3.575 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.337 -19.982 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.721 -18.177 -5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.059 -18.733 -5.804 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.229 -20.815 -3.677 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.346 -21.949 -3.447 1.00 0.00 C ATOM 1895 C ILE A 114 -1.904 -22.792 -2.297 1.00 0.00 C ATOM 1896 O ILE A 114 -2.124 -22.291 -1.197 1.00 0.00 O ATOM 1897 CB ILE A 114 0.122 -21.471 -3.119 1.00 0.00 C ATOM 1898 CG1 ILE A 114 1.004 -21.487 -4.372 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.767 -22.298 -2.014 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.573 -20.515 -5.446 1.00 0.00 C ATOM 0 H ILE A 114 -1.842 -19.915 -3.392 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.300 -22.551 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 114 0.040 -20.445 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.030 -21.260 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.005 -22.494 -4.789 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.775 -21.930 -1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.174 -22.214 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.814 -23.343 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.250 -20.590 -6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.441 -20.753 -5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.599 -19.500 -5.050 1.00 0.00 H new ATOM 1912 N GLN A 115 -2.184 -24.053 -2.578 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.694 -24.945 -1.554 1.00 0.00 C ATOM 1914 C GLN A 115 -1.581 -25.373 -0.615 1.00 0.00 C ATOM 1915 O GLN A 115 -0.545 -25.877 -1.048 1.00 0.00 O ATOM 1916 CB GLN A 115 -3.368 -26.170 -2.169 1.00 0.00 C ATOM 1917 CG GLN A 115 -2.446 -27.043 -2.995 1.00 0.00 C ATOM 1918 CD GLN A 115 -3.097 -28.345 -3.385 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -4.317 -28.422 -3.539 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -2.295 -29.378 -3.552 1.00 0.00 N ATOM 0 H GLN A 115 -2.068 -24.478 -3.498 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.444 -24.398 -0.983 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.799 -26.772 -1.369 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -4.194 -25.838 -2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.147 -26.504 -3.894 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.538 -27.248 -2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -1.290 -29.271 -3.414 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -2.680 -30.284 -3.819 1.00 0.00 H new ATOM 1929 N THR A 116 -1.781 -25.156 0.655 1.00 0.00 N ATOM 1930 CA THR A 116 -0.810 -25.546 1.637 1.00 0.00 C ATOM 1931 C THR A 116 -1.386 -26.589 2.585 1.00 0.00 C ATOM 1932 O THR A 116 -2.507 -27.069 2.379 1.00 0.00 O ATOM 1933 CB THR A 116 -0.297 -24.328 2.406 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.409 -23.552 2.885 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.575 -23.476 1.495 1.00 0.00 C ATOM 0 H THR A 116 -2.614 -24.708 1.036 1.00 0.00 H new ATOM 0 HA THR A 116 0.036 -25.997 1.118 1.00 0.00 H new ATOM 0 HB THR A 116 0.296 -24.663 3.257 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.086 -22.868 3.508 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.939 -22.609 2.046 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.423 -24.066 1.146 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.011 -23.142 0.639 1.00 0.00 H new ATOM 1943 N GLN A 117 -0.636 -26.938 3.613 1.00 0.00 N ATOM 1944 CA GLN A 117 -1.077 -27.939 4.556 1.00 0.00 C ATOM 1945 C GLN A 117 -1.179 -27.342 5.952 1.00 0.00 C ATOM 1946 O GLN A 117 -2.200 -26.697 6.251 1.00 0.00 O ATOM 1947 CB GLN A 117 -0.102 -29.116 4.555 1.00 0.00 C ATOM 1948 CG GLN A 117 -0.762 -30.483 4.659 1.00 0.00 C ATOM 1949 CD GLN A 117 -1.597 -30.663 5.916 1.00 0.00 C ATOM 1950 OE1 GLN A 117 -2.797 -30.372 5.931 1.00 0.00 O ATOM 1951 NE2 GLN A 117 -0.978 -31.146 6.969 1.00 0.00 N ATOM 1952 OXT GLN A 117 -0.239 -27.534 6.748 1.00 0.00 O ATOM 0 H GLN A 117 0.282 -26.541 3.813 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.064 -28.294 4.259 1.00 0.00 H new ATOM 0 HB2 GLN A 117 0.489 -29.081 3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 117 0.592 -28.997 5.387 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -1.397 -30.638 3.786 1.00 0.00 H new ATOM 0 HG3 GLN A 117 0.010 -31.252 4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 117 0.015 -31.374 6.917 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -1.490 -31.293 7.839 1.00 0.00 H new