USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 914 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 129 LYS NZ :NH3+ 168:sc= 1.24 (180deg=-0.212) USER MOD Set 1.2: A 135 THR OG1 : rot -57:sc= 1.03 USER MOD Set 2.1: A 75 MET CE :methyl 143:sc= -0.122 (180deg=-0.0573) USER MOD Set 2.2: A 110 MET CE :methyl -176:sc= -0.187 (180deg=-0.275) USER MOD Set 2.3: A 112 MET CE :methyl 177:sc= 0 (180deg=-0.0181) USER MOD Set 3.1: A 71 SER OG : rot -68:sc= 0.0266 USER MOD Set 3.2: A 73 MET CE :methyl 176:sc= 0 (180deg=0) USER MOD Set 4.1: A 60 LYS NZ :NH3+ 147:sc= 0.874 (180deg=0.314) USER MOD Set 4.2: A 131 THR OG1 : rot 17:sc= 1.66 USER MOD Set 5.1: A 55 SER OG : rot -62:sc= 0.505 USER MOD Set 5.2: A 57 GLN :FLIP amide:sc= 0.79 F(o=0.47,f=1.3) USER MOD Set 6.1: A 52 THR OG1 : rot 180:sc=-0.00269 USER MOD Set 6.2: A 99 THR OG1 : rot 26:sc= 1.16 USER MOD Single : A 29 THR OG1 : rot -56:sc= 0.675 USER MOD Single : A 31 GLN : amide:sc= 0.316 X(o=0.32,f=0) USER MOD Single : A 34 THR OG1 : rot -39:sc= 1.07 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 159:sc= 1.25 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -134:sc= 0 (180deg=-0.0091) USER MOD Single : A 50 THR OG1 : rot 17:sc= 0.806 USER MOD Single : A 53 ASN : amide:sc= -1.19 K(o=-1.2,f=-4.6!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A 70 THR OG1 : rot 78:sc= 1.14 USER MOD Single : A 76 THR OG1 : rot 44:sc= 0.603 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.479 F(o=-1.1,f=-0.48) USER MOD Single : A 80 SER OG : rot 28:sc= 1.07 USER MOD Single : A 83 MET CE :methyl -173:sc= -0.0434 (180deg=-0.104) USER MOD Single : A 86 MET CE :methyl -168:sc= 0 (180deg=-0.15) USER MOD Single : A 87 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00846) USER MOD Single : A 88 MET CE :methyl 169:sc= 0 (180deg=-0.145) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.907 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 108 HIS : no HE2:sc= -0.014 K(o=-0.014,f=-2.4) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.12) USER MOD Single : A 141 THR OG1 : rot 77:sc= 0.85 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 369 N VAL A 28 -3.079 0.526 -2.082 1.00 10.00 N ATOM 370 CA VAL A 28 -1.745 0.076 -2.450 1.00 10.00 C ATOM 371 C VAL A 28 -0.716 0.435 -1.368 1.00 10.00 C ATOM 372 O VAL A 28 0.227 1.185 -1.594 1.00 10.00 O ATOM 373 CB VAL A 28 -1.421 0.638 -3.849 1.00 10.00 C ATOM 374 CG1 VAL A 28 -1.164 2.153 -3.869 1.00 10.00 C ATOM 375 CG2 VAL A 28 -0.269 -0.124 -4.505 1.00 10.00 C ATOM 0 HA VAL A 28 -1.701 -1.011 -2.510 1.00 10.00 H new ATOM 0 HB VAL A 28 -2.324 0.482 -4.440 1.00 10.00 H new ATOM 0 HG11 VAL A 28 -0.943 2.471 -4.888 1.00 10.00 H new ATOM 0 HG12 VAL A 28 -2.049 2.677 -3.509 1.00 10.00 H new ATOM 0 HG13 VAL A 28 -0.317 2.387 -3.224 1.00 10.00 H new ATOM 0 HG21 VAL A 28 -0.067 0.298 -5.489 1.00 10.00 H new ATOM 0 HG22 VAL A 28 0.623 -0.040 -3.884 1.00 10.00 H new ATOM 0 HG23 VAL A 28 -0.540 -1.174 -4.610 1.00 10.00 H new ATOM 385 N THR A 29 -0.890 -0.110 -0.167 1.00 10.00 N ATOM 386 CA THR A 29 -0.006 0.175 0.954 1.00 10.00 C ATOM 387 C THR A 29 -0.076 -0.968 1.962 1.00 10.00 C ATOM 388 O THR A 29 -0.403 -0.753 3.129 1.00 10.00 O ATOM 389 CB THR A 29 -0.319 1.569 1.540 1.00 10.00 C ATOM 390 OG1 THR A 29 0.386 1.790 2.744 1.00 10.00 O ATOM 391 CG2 THR A 29 -1.813 1.802 1.793 1.00 10.00 C ATOM 0 H THR A 29 -1.645 -0.759 0.054 1.00 10.00 H new ATOM 0 HA THR A 29 1.032 0.226 0.626 1.00 10.00 H new ATOM 0 HB THR A 29 0.006 2.278 0.779 1.00 10.00 H new ATOM 0 HG1 THR A 29 0.172 1.079 3.384 1.00 10.00 H new ATOM 0 HG21 THR A 29 -1.961 2.800 2.205 1.00 10.00 H new ATOM 0 HG22 THR A 29 -2.359 1.712 0.854 1.00 10.00 H new ATOM 0 HG23 THR A 29 -2.182 1.060 2.500 1.00 10.00 H new ATOM 399 N VAL A 30 0.265 -2.178 1.510 1.00 10.00 N ATOM 400 CA VAL A 30 0.320 -3.361 2.359 1.00 10.00 C ATOM 401 C VAL A 30 1.678 -4.048 2.225 1.00 10.00 C ATOM 402 O VAL A 30 1.806 -5.221 1.878 1.00 10.00 O ATOM 403 CB VAL A 30 -0.927 -4.236 2.115 1.00 10.00 C ATOM 404 CG1 VAL A 30 -0.967 -4.880 0.721 1.00 10.00 C ATOM 405 CG2 VAL A 30 -1.083 -5.314 3.195 1.00 10.00 C ATOM 0 H VAL A 30 0.512 -2.361 0.537 1.00 10.00 H new ATOM 0 HA VAL A 30 0.265 -3.100 3.416 1.00 10.00 H new ATOM 0 HB VAL A 30 -1.771 -3.548 2.171 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -1.872 -5.480 0.623 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -0.965 -4.100 -0.040 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -0.093 -5.518 0.590 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -1.972 -5.910 2.989 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -0.205 -5.960 3.194 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -1.183 -4.839 4.171 1.00 10.00 H new ATOM 415 N GLN A 31 2.729 -3.293 2.532 1.00 10.00 N ATOM 416 CA GLN A 31 4.081 -3.803 2.524 1.00 10.00 C ATOM 417 C GLN A 31 4.945 -2.979 3.483 1.00 10.00 C ATOM 418 O GLN A 31 4.817 -1.757 3.525 1.00 10.00 O ATOM 419 CB GLN A 31 4.575 -3.696 1.082 1.00 10.00 C ATOM 420 CG GLN A 31 5.739 -4.646 0.786 1.00 10.00 C ATOM 421 CD GLN A 31 5.302 -6.054 0.376 1.00 10.00 C ATOM 422 OE1 GLN A 31 6.082 -6.775 -0.236 1.00 10.00 O ATOM 423 NE2 GLN A 31 4.079 -6.481 0.688 1.00 10.00 N ATOM 0 H GLN A 31 2.658 -2.309 2.793 1.00 10.00 H new ATOM 0 HA GLN A 31 4.133 -4.839 2.860 1.00 10.00 H new ATOM 0 HB2 GLN A 31 3.751 -3.914 0.403 1.00 10.00 H new ATOM 0 HB3 GLN A 31 4.888 -2.671 0.884 1.00 10.00 H new ATOM 0 HG2 GLN A 31 6.350 -4.220 -0.010 1.00 10.00 H new ATOM 0 HG3 GLN A 31 6.372 -4.716 1.671 1.00 10.00 H new ATOM 0 HE21 GLN A 31 3.440 -5.871 1.198 1.00 10.00 H new ATOM 0 HE22 GLN A 31 3.782 -7.418 0.417 1.00 10.00 H new ATOM 432 N GLY A 32 5.818 -3.645 4.247 1.00 10.00 N ATOM 433 CA GLY A 32 6.869 -2.978 5.004 1.00 10.00 C ATOM 434 C GLY A 32 7.978 -2.531 4.050 1.00 10.00 C ATOM 435 O GLY A 32 8.013 -2.979 2.904 1.00 10.00 O ATOM 0 H GLY A 32 5.811 -4.659 4.354 1.00 10.00 H new ATOM 0 HA2 GLY A 32 6.461 -2.117 5.533 1.00 10.00 H new ATOM 0 HA3 GLY A 32 7.273 -3.653 5.758 1.00 10.00 H new ATOM 439 N ALA A 33 8.885 -1.661 4.505 1.00 10.00 N ATOM 440 CA ALA A 33 9.965 -1.138 3.681 1.00 10.00 C ATOM 441 C ALA A 33 11.316 -1.657 4.165 1.00 10.00 C ATOM 442 O ALA A 33 11.497 -2.013 5.333 1.00 10.00 O ATOM 443 CB ALA A 33 9.922 0.394 3.692 1.00 10.00 C ATOM 0 H ALA A 33 8.886 -1.302 5.460 1.00 10.00 H new ATOM 0 HA ALA A 33 9.832 -1.484 2.656 1.00 10.00 H new ATOM 0 HB1 ALA A 33 10.731 0.785 3.075 1.00 10.00 H new ATOM 0 HB2 ALA A 33 8.966 0.734 3.295 1.00 10.00 H new ATOM 0 HB3 ALA A 33 10.039 0.754 4.714 1.00 10.00 H new ATOM 449 N THR A 34 12.290 -1.670 3.257 1.00 10.00 N ATOM 450 CA THR A 34 13.687 -1.873 3.586 1.00 10.00 C ATOM 451 C THR A 34 14.451 -0.670 3.038 1.00 10.00 C ATOM 452 O THR A 34 13.940 0.000 2.144 1.00 10.00 O ATOM 453 CB THR A 34 14.166 -3.218 3.025 1.00 10.00 C ATOM 454 OG1 THR A 34 14.223 -3.199 1.620 1.00 10.00 O ATOM 455 CG2 THR A 34 13.223 -4.355 3.426 1.00 10.00 C ATOM 0 H THR A 34 12.122 -1.537 2.260 1.00 10.00 H new ATOM 0 HA THR A 34 13.858 -1.931 4.661 1.00 10.00 H new ATOM 0 HB THR A 34 15.160 -3.383 3.441 1.00 10.00 H new ATOM 0 HG1 THR A 34 13.458 -2.698 1.268 1.00 10.00 H new ATOM 0 HG21 THR A 34 13.590 -5.295 3.013 1.00 10.00 H new ATOM 0 HG22 THR A 34 13.182 -4.428 4.513 1.00 10.00 H new ATOM 0 HG23 THR A 34 12.225 -4.154 3.038 1.00 10.00 H new ATOM 463 N VAL A 35 15.628 -0.360 3.583 1.00 10.00 N ATOM 464 CA VAL A 35 16.471 0.741 3.136 1.00 10.00 C ATOM 465 C VAL A 35 17.887 0.208 2.984 1.00 10.00 C ATOM 466 O VAL A 35 18.346 -0.583 3.812 1.00 10.00 O ATOM 467 CB VAL A 35 16.382 1.922 4.120 1.00 10.00 C ATOM 468 CG1 VAL A 35 17.446 2.992 3.839 1.00 10.00 C ATOM 469 CG2 VAL A 35 14.998 2.575 4.032 1.00 10.00 C ATOM 0 H VAL A 35 16.027 -0.881 4.364 1.00 10.00 H new ATOM 0 HA VAL A 35 16.136 1.127 2.173 1.00 10.00 H new ATOM 0 HB VAL A 35 16.554 1.518 5.118 1.00 10.00 H new ATOM 0 HG11 VAL A 35 17.344 3.805 4.558 1.00 10.00 H new ATOM 0 HG12 VAL A 35 18.439 2.551 3.929 1.00 10.00 H new ATOM 0 HG13 VAL A 35 17.312 3.382 2.830 1.00 10.00 H new ATOM 0 HG21 VAL A 35 14.944 3.409 4.731 1.00 10.00 H new ATOM 0 HG22 VAL A 35 14.832 2.940 3.018 1.00 10.00 H new ATOM 0 HG23 VAL A 35 14.233 1.841 4.283 1.00 10.00 H new ATOM 479 N ALA A 36 18.591 0.639 1.933 1.00 10.00 N ATOM 480 CA ALA A 36 19.865 0.045 1.547 1.00 10.00 C ATOM 481 C ALA A 36 21.046 0.523 2.402 1.00 10.00 C ATOM 482 O ALA A 36 22.150 0.697 1.889 1.00 10.00 O ATOM 483 CB ALA A 36 20.105 0.312 0.063 1.00 10.00 C ATOM 0 H ALA A 36 18.292 1.406 1.331 1.00 10.00 H new ATOM 0 HA ALA A 36 19.801 -1.028 1.727 1.00 10.00 H new ATOM 0 HB1 ALA A 36 21.056 -0.128 -0.237 1.00 10.00 H new ATOM 0 HB2 ALA A 36 19.299 -0.132 -0.522 1.00 10.00 H new ATOM 0 HB3 ALA A 36 20.131 1.387 -0.114 1.00 10.00 H new ATOM 489 N ALA A 37 20.833 0.698 3.710 1.00 10.00 N ATOM 490 CA ALA A 37 21.791 1.310 4.626 1.00 10.00 C ATOM 491 C ALA A 37 22.346 2.604 4.015 1.00 10.00 C ATOM 492 O ALA A 37 21.622 3.289 3.293 1.00 10.00 O ATOM 493 CB ALA A 37 22.865 0.282 5.007 1.00 10.00 C ATOM 0 H ALA A 37 19.968 0.410 4.168 1.00 10.00 H new ATOM 0 HA ALA A 37 21.306 1.604 5.557 1.00 10.00 H new ATOM 0 HB1 ALA A 37 23.580 0.739 5.691 1.00 10.00 H new ATOM 0 HB2 ALA A 37 22.394 -0.573 5.492 1.00 10.00 H new ATOM 0 HB3 ALA A 37 23.384 -0.051 4.109 1.00 10.00 H new ATOM 499 N VAL A 38 23.620 2.920 4.264 1.00 10.00 N ATOM 500 CA VAL A 38 24.389 3.768 3.365 1.00 10.00 C ATOM 501 C VAL A 38 25.088 2.804 2.402 1.00 10.00 C ATOM 502 O VAL A 38 25.991 2.088 2.839 1.00 10.00 O ATOM 503 CB VAL A 38 25.400 4.632 4.144 1.00 10.00 C ATOM 504 CG1 VAL A 38 26.334 5.386 3.194 1.00 10.00 C ATOM 505 CG2 VAL A 38 24.666 5.672 4.999 1.00 10.00 C ATOM 0 H VAL A 38 24.136 2.598 5.083 1.00 10.00 H new ATOM 0 HA VAL A 38 23.755 4.475 2.829 1.00 10.00 H new ATOM 0 HB VAL A 38 25.980 3.957 4.773 1.00 10.00 H new ATOM 0 HG11 VAL A 38 27.035 5.986 3.774 1.00 10.00 H new ATOM 0 HG12 VAL A 38 26.886 4.672 2.584 1.00 10.00 H new ATOM 0 HG13 VAL A 38 25.746 6.038 2.547 1.00 10.00 H new ATOM 0 HG21 VAL A 38 25.393 6.274 5.543 1.00 10.00 H new ATOM 0 HG22 VAL A 38 24.070 6.318 4.354 1.00 10.00 H new ATOM 0 HG23 VAL A 38 24.012 5.164 5.708 1.00 10.00 H new ATOM 515 N PRO A 39 24.683 2.724 1.126 1.00 10.00 N ATOM 516 CA PRO A 39 25.420 1.951 0.143 1.00 10.00 C ATOM 517 C PRO A 39 26.737 2.684 -0.147 1.00 10.00 C ATOM 518 O PRO A 39 26.883 3.846 0.233 1.00 10.00 O ATOM 519 CB PRO A 39 24.492 1.880 -1.074 1.00 10.00 C ATOM 520 CG PRO A 39 23.678 3.170 -0.989 1.00 10.00 C ATOM 521 CD PRO A 39 23.595 3.462 0.507 1.00 10.00 C ATOM 0 HA PRO A 39 25.687 0.944 0.463 1.00 10.00 H new ATOM 0 HB2 PRO A 39 25.057 1.824 -2.005 1.00 10.00 H new ATOM 0 HB3 PRO A 39 23.851 0.999 -1.037 1.00 10.00 H new ATOM 0 HG2 PRO A 39 24.164 3.984 -1.527 1.00 10.00 H new ATOM 0 HG3 PRO A 39 22.687 3.045 -1.426 1.00 10.00 H new ATOM 0 HD2 PRO A 39 23.690 4.530 0.701 1.00 10.00 H new ATOM 0 HD3 PRO A 39 22.633 3.149 0.912 1.00 10.00 H new ATOM 529 N PRO A 40 27.713 2.047 -0.813 1.00 10.00 N ATOM 530 CA PRO A 40 28.982 2.682 -1.142 1.00 10.00 C ATOM 531 C PRO A 40 28.797 3.689 -2.287 1.00 10.00 C ATOM 532 O PRO A 40 29.336 3.511 -3.377 1.00 10.00 O ATOM 533 CB PRO A 40 29.916 1.519 -1.502 1.00 10.00 C ATOM 534 CG PRO A 40 28.959 0.478 -2.085 1.00 10.00 C ATOM 535 CD PRO A 40 27.707 0.652 -1.223 1.00 10.00 C ATOM 0 HA PRO A 40 29.398 3.267 -0.322 1.00 10.00 H new ATOM 0 HB2 PRO A 40 30.675 1.819 -2.225 1.00 10.00 H new ATOM 0 HB3 PRO A 40 30.442 1.138 -0.627 1.00 10.00 H new ATOM 0 HG2 PRO A 40 28.753 0.663 -3.139 1.00 10.00 H new ATOM 0 HG3 PRO A 40 29.364 -0.531 -2.011 1.00 10.00 H new ATOM 0 HD2 PRO A 40 26.805 0.412 -1.786 1.00 10.00 H new ATOM 0 HD3 PRO A 40 27.729 -0.012 -0.359 1.00 10.00 H new ATOM 543 N SER A 41 28.017 4.748 -2.045 1.00 10.00 N ATOM 544 CA SER A 41 27.701 5.789 -3.008 1.00 10.00 C ATOM 545 C SER A 41 27.063 6.970 -2.266 1.00 10.00 C ATOM 546 O SER A 41 25.941 7.368 -2.568 1.00 10.00 O ATOM 547 CB SER A 41 26.798 5.227 -4.120 1.00 10.00 C ATOM 548 OG SER A 41 26.793 6.086 -5.245 1.00 10.00 O ATOM 0 H SER A 41 27.576 4.902 -1.138 1.00 10.00 H new ATOM 0 HA SER A 41 28.607 6.148 -3.497 1.00 10.00 H new ATOM 0 HB2 SER A 41 27.148 4.237 -4.414 1.00 10.00 H new ATOM 0 HB3 SER A 41 25.782 5.107 -3.744 1.00 10.00 H new ATOM 0 HG SER A 41 26.214 5.710 -5.941 1.00 10.00 H new ATOM 554 N ILE A 42 27.806 7.530 -1.302 1.00 10.00 N ATOM 555 CA ILE A 42 27.460 8.727 -0.546 1.00 10.00 C ATOM 556 C ILE A 42 26.398 8.401 0.511 1.00 10.00 C ATOM 557 O ILE A 42 25.800 7.331 0.490 1.00 10.00 O ATOM 558 CB ILE A 42 27.094 9.910 -1.475 1.00 10.00 C ATOM 559 CG1 ILE A 42 28.048 10.066 -2.680 1.00 10.00 C ATOM 560 CG2 ILE A 42 27.078 11.232 -0.700 1.00 10.00 C ATOM 561 CD1 ILE A 42 29.521 10.244 -2.293 1.00 10.00 C ATOM 0 H ILE A 42 28.704 7.138 -1.020 1.00 10.00 H new ATOM 0 HA ILE A 42 28.339 9.070 -0.000 1.00 10.00 H new ATOM 0 HB ILE A 42 26.101 9.675 -1.858 1.00 10.00 H new ATOM 0 HG12 ILE A 42 27.955 9.188 -3.319 1.00 10.00 H new ATOM 0 HG13 ILE A 42 27.732 10.926 -3.271 1.00 10.00 H new ATOM 0 HG21 ILE A 42 26.818 12.047 -1.376 1.00 10.00 H new ATOM 0 HG22 ILE A 42 26.341 11.175 0.101 1.00 10.00 H new ATOM 0 HG23 ILE A 42 28.064 11.415 -0.273 1.00 10.00 H new ATOM 0 HD11 ILE A 42 30.124 10.347 -3.195 1.00 10.00 H new ATOM 0 HD12 ILE A 42 29.631 11.138 -1.680 1.00 10.00 H new ATOM 0 HD13 ILE A 42 29.857 9.374 -1.729 1.00 10.00 H new ATOM 573 N ARG A 43 26.219 9.300 1.486 1.00 10.00 N ATOM 574 CA ARG A 43 25.304 9.140 2.608 1.00 10.00 C ATOM 575 C ARG A 43 23.879 8.825 2.139 1.00 10.00 C ATOM 576 O ARG A 43 23.154 8.080 2.795 1.00 10.00 O ATOM 577 CB ARG A 43 25.321 10.428 3.449 1.00 10.00 C ATOM 578 CG ARG A 43 24.918 10.153 4.906 1.00 10.00 C ATOM 579 CD ARG A 43 26.023 10.543 5.902 1.00 10.00 C ATOM 580 NE ARG A 43 25.955 9.775 7.158 1.00 10.00 N ATOM 581 CZ ARG A 43 25.363 10.152 8.304 1.00 10.00 C ATOM 582 NH1 ARG A 43 24.533 11.191 8.346 1.00 10.00 N ATOM 583 NH2 ARG A 43 25.601 9.480 9.433 1.00 10.00 N ATOM 0 H ARG A 43 26.726 10.185 1.511 1.00 10.00 H new ATOM 0 HA ARG A 43 25.635 8.295 3.212 1.00 10.00 H new ATOM 0 HB2 ARG A 43 26.318 10.868 3.423 1.00 10.00 H new ATOM 0 HB3 ARG A 43 24.639 11.158 3.013 1.00 10.00 H new ATOM 0 HG2 ARG A 43 24.009 10.708 5.140 1.00 10.00 H new ATOM 0 HG3 ARG A 43 24.684 9.095 5.022 1.00 10.00 H new ATOM 0 HD2 ARG A 43 26.997 10.386 5.438 1.00 10.00 H new ATOM 0 HD3 ARG A 43 25.945 11.607 6.127 1.00 10.00 H new ATOM 0 HE ARG A 43 26.405 8.860 7.157 1.00 10.00 H new ATOM 0 HH11 ARG A 43 24.334 11.720 7.497 1.00 10.00 H new ATOM 0 HH12 ARG A 43 24.095 11.459 9.228 1.00 10.00 H new ATOM 0 HH21 ARG A 43 26.233 8.679 9.426 1.00 10.00 H new ATOM 0 HH22 ARG A 43 25.151 9.767 10.302 1.00 10.00 H new ATOM 597 N ASP A 44 23.480 9.450 1.030 1.00 10.00 N ATOM 598 CA ASP A 44 22.212 9.260 0.349 1.00 10.00 C ATOM 599 C ASP A 44 21.889 7.779 0.170 1.00 10.00 C ATOM 600 O ASP A 44 22.784 6.955 -0.004 1.00 10.00 O ATOM 601 CB ASP A 44 22.295 9.927 -1.030 1.00 10.00 C ATOM 602 CG ASP A 44 22.568 11.424 -0.970 1.00 10.00 C ATOM 603 OD1 ASP A 44 22.411 11.993 0.132 1.00 10.00 O ATOM 604 OD2 ASP A 44 22.908 11.973 -2.036 1.00 10.00 O ATOM 0 H ASP A 44 24.070 10.139 0.563 1.00 10.00 H new ATOM 0 HA ASP A 44 21.422 9.707 0.953 1.00 10.00 H new ATOM 0 HB2 ASP A 44 23.083 9.446 -1.610 1.00 10.00 H new ATOM 0 HB3 ASP A 44 21.359 9.758 -1.562 1.00 10.00 H new ATOM 609 N THR A 45 20.603 7.430 0.173 1.00 10.00 N ATOM 610 CA THR A 45 20.196 6.053 -0.039 1.00 10.00 C ATOM 611 C THR A 45 18.786 6.032 -0.617 1.00 10.00 C ATOM 612 O THR A 45 18.280 7.062 -1.065 1.00 10.00 O ATOM 613 CB THR A 45 20.372 5.248 1.263 1.00 10.00 C ATOM 614 OG1 THR A 45 20.135 3.869 1.062 1.00 10.00 O ATOM 615 CG2 THR A 45 19.459 5.731 2.390 1.00 10.00 C ATOM 0 H THR A 45 19.833 8.083 0.320 1.00 10.00 H new ATOM 0 HA THR A 45 20.832 5.558 -0.773 1.00 10.00 H new ATOM 0 HB THR A 45 21.409 5.410 1.558 1.00 10.00 H new ATOM 0 HG1 THR A 45 20.569 3.355 1.775 1.00 10.00 H new ATOM 0 HG21 THR A 45 19.629 5.126 3.280 1.00 10.00 H new ATOM 0 HG22 THR A 45 19.678 6.775 2.614 1.00 10.00 H new ATOM 0 HG23 THR A 45 18.418 5.637 2.081 1.00 10.00 H new ATOM 623 N ALA A 46 18.153 4.861 -0.629 1.00 10.00 N ATOM 624 CA ALA A 46 16.819 4.671 -1.145 1.00 10.00 C ATOM 625 C ALA A 46 16.172 3.509 -0.411 1.00 10.00 C ATOM 626 O ALA A 46 16.870 2.654 0.147 1.00 10.00 O ATOM 627 CB ALA A 46 16.879 4.406 -2.653 1.00 10.00 C ATOM 0 H ALA A 46 18.572 4.004 -0.269 1.00 10.00 H new ATOM 0 HA ALA A 46 16.221 5.568 -0.986 1.00 10.00 H new ATOM 0 HB1 ALA A 46 15.869 4.263 -3.038 1.00 10.00 H new ATOM 0 HB2 ALA A 46 17.341 5.257 -3.154 1.00 10.00 H new ATOM 0 HB3 ALA A 46 17.469 3.509 -2.842 1.00 10.00 H new ATOM 633 N ALA A 47 14.839 3.487 -0.432 1.00 10.00 N ATOM 634 CA ALA A 47 14.084 2.352 0.054 1.00 10.00 C ATOM 635 C ALA A 47 13.998 1.301 -1.045 1.00 10.00 C ATOM 636 O ALA A 47 14.060 1.625 -2.231 1.00 10.00 O ATOM 637 CB ALA A 47 12.688 2.762 0.527 1.00 10.00 C ATOM 0 H ALA A 47 14.265 4.252 -0.785 1.00 10.00 H new ATOM 0 HA ALA A 47 14.600 1.934 0.918 1.00 10.00 H new ATOM 0 HB1 ALA A 47 12.152 1.883 0.884 1.00 10.00 H new ATOM 0 HB2 ALA A 47 12.776 3.487 1.336 1.00 10.00 H new ATOM 0 HB3 ALA A 47 12.140 3.209 -0.302 1.00 10.00 H new ATOM 643 N TYR A 48 13.834 0.048 -0.630 1.00 10.00 N ATOM 644 CA TYR A 48 13.454 -1.064 -1.467 1.00 10.00 C ATOM 645 C TYR A 48 12.176 -1.584 -0.818 1.00 10.00 C ATOM 646 O TYR A 48 12.155 -1.829 0.393 1.00 10.00 O ATOM 647 CB TYR A 48 14.563 -2.120 -1.529 1.00 10.00 C ATOM 648 CG TYR A 48 15.712 -1.802 -2.466 1.00 10.00 C ATOM 649 CD1 TYR A 48 16.630 -0.782 -2.150 1.00 10.00 C ATOM 650 CD2 TYR A 48 15.929 -2.605 -3.602 1.00 10.00 C ATOM 651 CE1 TYR A 48 17.772 -0.594 -2.946 1.00 10.00 C ATOM 652 CE2 TYR A 48 17.084 -2.430 -4.381 1.00 10.00 C ATOM 653 CZ TYR A 48 18.036 -1.468 -4.012 1.00 10.00 C ATOM 654 OH TYR A 48 19.201 -1.350 -4.708 1.00 10.00 O ATOM 0 H TYR A 48 13.971 -0.222 0.344 1.00 10.00 H new ATOM 0 HA TYR A 48 13.293 -0.784 -2.508 1.00 10.00 H new ATOM 0 HB2 TYR A 48 14.963 -2.261 -0.525 1.00 10.00 H new ATOM 0 HB3 TYR A 48 14.121 -3.069 -1.832 1.00 10.00 H new ATOM 0 HD1 TYR A 48 16.456 -0.144 -1.296 1.00 10.00 H new ATOM 0 HD2 TYR A 48 15.205 -3.358 -3.875 1.00 10.00 H new ATOM 0 HE1 TYR A 48 18.447 0.223 -2.738 1.00 10.00 H new ATOM 0 HE2 TYR A 48 17.239 -3.035 -5.262 1.00 10.00 H new ATOM 0 HH TYR A 48 19.231 -2.030 -5.413 1.00 10.00 H new ATOM 664 N MET A 49 11.094 -1.638 -1.590 1.00 10.00 N ATOM 665 CA MET A 49 9.751 -1.906 -1.098 1.00 10.00 C ATOM 666 C MET A 49 8.943 -2.446 -2.276 1.00 10.00 C ATOM 667 O MET A 49 9.480 -2.663 -3.361 1.00 10.00 O ATOM 668 CB MET A 49 9.160 -0.626 -0.467 1.00 10.00 C ATOM 669 CG MET A 49 7.912 -0.854 0.407 1.00 10.00 C ATOM 670 SD MET A 49 6.344 -0.203 -0.233 1.00 10.00 S ATOM 671 CE MET A 49 6.640 1.574 -0.086 1.00 10.00 C ATOM 0 H MET A 49 11.131 -1.493 -2.599 1.00 10.00 H new ATOM 0 HA MET A 49 9.738 -2.653 -0.304 1.00 10.00 H new ATOM 0 HB2 MET A 49 9.929 -0.148 0.140 1.00 10.00 H new ATOM 0 HB3 MET A 49 8.905 0.071 -1.265 1.00 10.00 H new ATOM 0 HG2 MET A 49 7.797 -1.926 0.564 1.00 10.00 H new ATOM 0 HG3 MET A 49 8.094 -0.406 1.384 1.00 10.00 H new ATOM 0 HE1 MET A 49 5.768 2.052 0.360 1.00 10.00 H new ATOM 0 HE2 MET A 49 7.511 1.747 0.546 1.00 10.00 H new ATOM 0 HE3 MET A 49 6.820 1.996 -1.075 1.00 10.00 H new ATOM 681 N THR A 50 7.658 -2.709 -2.084 1.00 10.00 N ATOM 682 CA THR A 50 6.762 -3.141 -3.136 1.00 10.00 C ATOM 683 C THR A 50 5.368 -2.615 -2.800 1.00 10.00 C ATOM 684 O THR A 50 4.869 -2.842 -1.703 1.00 10.00 O ATOM 685 CB THR A 50 6.864 -4.669 -3.261 1.00 10.00 C ATOM 686 OG1 THR A 50 8.044 -4.985 -3.975 1.00 10.00 O ATOM 687 CG2 THR A 50 5.674 -5.308 -3.971 1.00 10.00 C ATOM 0 H THR A 50 7.205 -2.625 -1.174 1.00 10.00 H new ATOM 0 HA THR A 50 7.020 -2.742 -4.117 1.00 10.00 H new ATOM 0 HB THR A 50 6.878 -5.071 -2.248 1.00 10.00 H new ATOM 0 HG1 THR A 50 8.640 -4.207 -3.982 1.00 10.00 H new ATOM 0 HG21 THR A 50 5.817 -6.387 -4.021 1.00 10.00 H new ATOM 0 HG22 THR A 50 4.760 -5.089 -3.419 1.00 10.00 H new ATOM 0 HG23 THR A 50 5.594 -4.905 -4.981 1.00 10.00 H new ATOM 695 N LEU A 51 4.754 -1.891 -3.733 1.00 10.00 N ATOM 696 CA LEU A 51 3.371 -1.465 -3.659 1.00 10.00 C ATOM 697 C LEU A 51 2.539 -2.633 -4.167 1.00 10.00 C ATOM 698 O LEU A 51 2.881 -3.229 -5.186 1.00 10.00 O ATOM 699 CB LEU A 51 3.180 -0.238 -4.565 1.00 10.00 C ATOM 700 CG LEU A 51 2.915 1.084 -3.824 1.00 10.00 C ATOM 701 CD1 LEU A 51 3.858 1.352 -2.643 1.00 10.00 C ATOM 702 CD2 LEU A 51 3.041 2.231 -4.828 1.00 10.00 C ATOM 0 H LEU A 51 5.224 -1.579 -4.583 1.00 10.00 H new ATOM 0 HA LEU A 51 3.076 -1.191 -2.646 1.00 10.00 H new ATOM 0 HB2 LEU A 51 4.071 -0.119 -5.182 1.00 10.00 H new ATOM 0 HB3 LEU A 51 2.347 -0.431 -5.241 1.00 10.00 H new ATOM 0 HG LEU A 51 1.914 1.009 -3.399 1.00 10.00 H new ATOM 0 HD11 LEU A 51 3.599 2.304 -2.180 1.00 10.00 H new ATOM 0 HD12 LEU A 51 3.758 0.552 -1.909 1.00 10.00 H new ATOM 0 HD13 LEU A 51 4.887 1.390 -3.000 1.00 10.00 H new ATOM 0 HD21 LEU A 51 2.857 3.179 -4.323 1.00 10.00 H new ATOM 0 HD22 LEU A 51 4.045 2.235 -5.252 1.00 10.00 H new ATOM 0 HD23 LEU A 51 2.311 2.098 -5.626 1.00 10.00 H new ATOM 714 N THR A 52 1.459 -2.950 -3.454 1.00 10.00 N ATOM 715 CA THR A 52 0.602 -4.099 -3.702 1.00 10.00 C ATOM 716 C THR A 52 -0.855 -3.652 -3.600 1.00 10.00 C ATOM 717 O THR A 52 -1.374 -3.547 -2.491 1.00 10.00 O ATOM 718 CB THR A 52 0.955 -5.167 -2.654 1.00 10.00 C ATOM 719 OG1 THR A 52 2.314 -5.517 -2.803 1.00 10.00 O ATOM 720 CG2 THR A 52 0.114 -6.439 -2.810 1.00 10.00 C ATOM 0 H THR A 52 1.149 -2.390 -2.660 1.00 10.00 H new ATOM 0 HA THR A 52 0.748 -4.519 -4.697 1.00 10.00 H new ATOM 0 HB THR A 52 0.751 -4.743 -1.671 1.00 10.00 H new ATOM 0 HG1 THR A 52 2.551 -6.197 -2.138 1.00 10.00 H new ATOM 0 HG21 THR A 52 0.402 -7.162 -2.046 1.00 10.00 H new ATOM 0 HG22 THR A 52 -0.942 -6.193 -2.697 1.00 10.00 H new ATOM 0 HG23 THR A 52 0.283 -6.868 -3.798 1.00 10.00 H new ATOM 728 N ASN A 53 -1.518 -3.357 -4.726 1.00 10.00 N ATOM 729 CA ASN A 53 -2.898 -2.885 -4.683 1.00 10.00 C ATOM 730 C ASN A 53 -3.850 -4.069 -4.601 1.00 10.00 C ATOM 731 O ASN A 53 -3.532 -5.153 -5.089 1.00 10.00 O ATOM 732 CB ASN A 53 -3.234 -2.033 -5.915 1.00 10.00 C ATOM 733 CG ASN A 53 -4.247 -0.938 -5.595 1.00 10.00 C ATOM 734 OD1 ASN A 53 -4.938 -0.981 -4.580 1.00 10.00 O ATOM 735 ND2 ASN A 53 -4.260 0.110 -6.409 1.00 10.00 N ATOM 0 H ASN A 53 -1.123 -3.437 -5.663 1.00 10.00 H new ATOM 0 HA ASN A 53 -3.013 -2.262 -3.796 1.00 10.00 H new ATOM 0 HB2 ASN A 53 -2.321 -1.580 -6.302 1.00 10.00 H new ATOM 0 HB3 ASN A 53 -3.630 -2.675 -6.702 1.00 10.00 H new ATOM 0 HD21 ASN A 53 -4.856 0.911 -6.200 1.00 10.00 H new ATOM 0 HD22 ASN A 53 -3.674 0.114 -7.244 1.00 10.00 H new ATOM 742 N LYS A 54 -5.027 -3.866 -4.012 1.00 10.00 N ATOM 743 CA LYS A 54 -6.102 -4.841 -4.037 1.00 10.00 C ATOM 744 C LYS A 54 -7.388 -4.053 -4.252 1.00 10.00 C ATOM 745 O LYS A 54 -8.325 -4.132 -3.459 1.00 10.00 O ATOM 746 CB LYS A 54 -6.128 -5.613 -2.713 1.00 10.00 C ATOM 747 CG LYS A 54 -4.904 -6.504 -2.447 1.00 10.00 C ATOM 748 CD LYS A 54 -4.772 -7.713 -3.386 1.00 10.00 C ATOM 749 CE LYS A 54 -5.971 -8.667 -3.261 1.00 10.00 C ATOM 750 NZ LYS A 54 -5.738 -9.949 -3.957 1.00 10.00 N ATOM 0 H LYS A 54 -5.257 -3.013 -3.502 1.00 10.00 H new ATOM 0 HA LYS A 54 -5.973 -5.576 -4.831 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -6.220 -4.897 -1.896 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -7.022 -6.237 -2.693 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -4.004 -5.896 -2.532 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -4.950 -6.863 -1.419 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -4.690 -7.366 -4.416 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -3.853 -8.252 -3.157 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -6.172 -8.859 -2.207 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -6.859 -8.188 -3.673 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -6.572 -10.561 -3.846 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -5.572 -9.770 -4.968 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -4.906 -10.420 -3.547 1.00 10.00 H new ATOM 764 N SER A 55 -7.416 -3.290 -5.343 1.00 10.00 N ATOM 765 CA SER A 55 -8.537 -2.495 -5.786 1.00 10.00 C ATOM 766 C SER A 55 -8.088 -1.932 -7.123 1.00 10.00 C ATOM 767 O SER A 55 -6.894 -1.971 -7.425 1.00 10.00 O ATOM 768 CB SER A 55 -8.858 -1.356 -4.812 1.00 10.00 C ATOM 769 OG SER A 55 -10.166 -0.883 -5.074 1.00 10.00 O ATOM 0 H SER A 55 -6.612 -3.212 -5.966 1.00 10.00 H new ATOM 0 HA SER A 55 -9.448 -3.090 -5.851 1.00 10.00 H new ATOM 0 HB2 SER A 55 -8.784 -1.708 -3.783 1.00 10.00 H new ATOM 0 HB3 SER A 55 -8.135 -0.548 -4.926 1.00 10.00 H new ATOM 0 HG SER A 55 -10.206 -0.519 -5.983 1.00 10.00 H new ATOM 775 N ASP A 56 -9.034 -1.427 -7.904 1.00 10.00 N ATOM 776 CA ASP A 56 -8.777 -0.918 -9.234 1.00 10.00 C ATOM 777 C ASP A 56 -9.096 0.571 -9.264 1.00 10.00 C ATOM 778 O ASP A 56 -10.203 0.983 -9.611 1.00 10.00 O ATOM 779 CB ASP A 56 -9.538 -1.757 -10.266 1.00 10.00 C ATOM 780 CG ASP A 56 -8.712 -1.837 -11.533 1.00 10.00 C ATOM 781 OD1 ASP A 56 -7.679 -2.540 -11.462 1.00 10.00 O ATOM 782 OD2 ASP A 56 -9.075 -1.155 -12.512 1.00 10.00 O ATOM 0 H ASP A 56 -10.012 -1.361 -7.623 1.00 10.00 H new ATOM 0 HA ASP A 56 -7.725 -1.011 -9.503 1.00 10.00 H new ATOM 0 HB2 ASP A 56 -9.727 -2.757 -9.875 1.00 10.00 H new ATOM 0 HB3 ASP A 56 -10.509 -1.308 -10.476 1.00 10.00 H new ATOM 787 N GLN A 57 -8.142 1.378 -8.793 1.00 10.00 N ATOM 788 CA GLN A 57 -8.233 2.827 -8.749 1.00 10.00 C ATOM 789 C GLN A 57 -6.834 3.407 -8.975 1.00 10.00 C ATOM 790 O GLN A 57 -5.856 2.786 -8.558 1.00 10.00 O ATOM 791 CB GLN A 57 -8.735 3.282 -7.372 1.00 10.00 C ATOM 792 CG GLN A 57 -10.246 3.128 -7.151 1.00 10.00 C ATOM 793 CD GLN A 57 -10.577 1.873 -6.355 1.00 10.00 C ATOM 794 OE1 GLN A 57 -11.103 0.841 -7.001 1.00 10.00 O flip ATOM 795 NE2 GLN A 57 -10.345 1.820 -5.148 1.00 10.00 N flip ATOM 0 H GLN A 57 -7.261 1.023 -8.422 1.00 10.00 H new ATOM 0 HA GLN A 57 -8.926 3.171 -9.517 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -8.211 2.713 -6.604 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -8.467 4.329 -7.232 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -10.627 4.003 -6.625 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -10.752 3.091 -8.116 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -9.940 2.625 -4.671 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -10.558 0.971 -4.625 1.00 10.00 H new ATOM 804 N PRO A 58 -6.716 4.597 -9.587 1.00 10.00 N ATOM 805 CA PRO A 58 -5.450 5.297 -9.740 1.00 10.00 C ATOM 806 C PRO A 58 -5.010 5.874 -8.389 1.00 10.00 C ATOM 807 O PRO A 58 -5.080 7.081 -8.154 1.00 10.00 O ATOM 808 CB PRO A 58 -5.718 6.374 -10.796 1.00 10.00 C ATOM 809 CG PRO A 58 -7.190 6.719 -10.564 1.00 10.00 C ATOM 810 CD PRO A 58 -7.800 5.372 -10.175 1.00 10.00 C ATOM 0 HA PRO A 58 -4.632 4.652 -10.060 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -5.073 7.242 -10.661 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -5.544 6.002 -11.806 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -7.311 7.460 -9.774 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -7.655 7.129 -11.461 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -8.616 5.504 -9.464 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -8.215 4.865 -11.046 1.00 10.00 H new ATOM 818 N ILE A 59 -4.567 5.000 -7.487 1.00 10.00 N ATOM 819 CA ILE A 59 -4.134 5.382 -6.150 1.00 10.00 C ATOM 820 C ILE A 59 -2.676 5.853 -6.221 1.00 10.00 C ATOM 821 O ILE A 59 -1.949 5.551 -7.168 1.00 10.00 O ATOM 822 CB ILE A 59 -4.396 4.222 -5.165 1.00 10.00 C ATOM 823 CG1 ILE A 59 -5.919 4.056 -4.998 1.00 10.00 C ATOM 824 CG2 ILE A 59 -3.784 4.491 -3.781 1.00 10.00 C ATOM 825 CD1 ILE A 59 -6.325 2.676 -4.476 1.00 10.00 C ATOM 0 H ILE A 59 -4.499 3.999 -7.668 1.00 10.00 H new ATOM 0 HA ILE A 59 -4.709 6.222 -5.762 1.00 10.00 H new ATOM 0 HB ILE A 59 -3.934 3.323 -5.573 1.00 10.00 H new ATOM 0 HG12 ILE A 59 -6.287 4.819 -4.312 1.00 10.00 H new ATOM 0 HG13 ILE A 59 -6.404 4.230 -5.959 1.00 10.00 H new ATOM 0 HG21 ILE A 59 -3.993 3.649 -3.121 1.00 10.00 H new ATOM 0 HG22 ILE A 59 -2.706 4.617 -3.878 1.00 10.00 H new ATOM 0 HG23 ILE A 59 -4.219 5.398 -3.361 1.00 10.00 H new ATOM 0 HD11 ILE A 59 -7.410 2.627 -4.382 1.00 10.00 H new ATOM 0 HD12 ILE A 59 -5.986 1.909 -5.173 1.00 10.00 H new ATOM 0 HD13 ILE A 59 -5.868 2.507 -3.501 1.00 10.00 H new ATOM 837 N LYS A 60 -2.261 6.663 -5.245 1.00 10.00 N ATOM 838 CA LYS A 60 -0.950 7.273 -5.218 1.00 10.00 C ATOM 839 C LYS A 60 -0.457 7.394 -3.787 1.00 10.00 C ATOM 840 O LYS A 60 -1.246 7.279 -2.852 1.00 10.00 O ATOM 841 CB LYS A 60 -1.032 8.638 -5.903 1.00 10.00 C ATOM 842 CG LYS A 60 -1.824 9.720 -5.148 1.00 10.00 C ATOM 843 CD LYS A 60 -2.933 10.321 -6.028 1.00 10.00 C ATOM 844 CE LYS A 60 -4.209 9.465 -6.044 1.00 10.00 C ATOM 845 NZ LYS A 60 -4.941 9.511 -4.758 1.00 10.00 N ATOM 0 H LYS A 60 -2.842 6.911 -4.444 1.00 10.00 H new ATOM 0 HA LYS A 60 -0.233 6.652 -5.755 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -0.018 9.003 -6.065 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -1.483 8.504 -6.886 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -2.264 9.290 -4.249 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -1.146 10.510 -4.824 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -3.176 11.320 -5.667 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -2.562 10.432 -7.047 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -4.864 9.811 -6.843 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -3.946 8.432 -6.272 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -5.963 9.435 -4.937 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -4.635 8.720 -4.156 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -4.740 10.410 -4.276 1.00 10.00 H new ATOM 859 N LEU A 61 0.838 7.655 -3.629 1.00 10.00 N ATOM 860 CA LEU A 61 1.504 7.828 -2.362 1.00 10.00 C ATOM 861 C LEU A 61 2.457 8.995 -2.596 1.00 10.00 C ATOM 862 O LEU A 61 3.186 8.966 -3.585 1.00 10.00 O ATOM 863 CB LEU A 61 2.183 6.486 -2.056 1.00 10.00 C ATOM 864 CG LEU A 61 3.280 6.468 -0.989 1.00 10.00 C ATOM 865 CD1 LEU A 61 4.593 7.061 -1.512 1.00 10.00 C ATOM 866 CD2 LEU A 61 2.827 7.112 0.321 1.00 10.00 C ATOM 0 H LEU A 61 1.471 7.754 -4.423 1.00 10.00 H new ATOM 0 HA LEU A 61 0.878 8.065 -1.501 1.00 10.00 H new ATOM 0 HB2 LEU A 61 1.409 5.781 -1.753 1.00 10.00 H new ATOM 0 HB3 LEU A 61 2.612 6.109 -2.984 1.00 10.00 H new ATOM 0 HG LEU A 61 3.480 5.422 -0.758 1.00 10.00 H new ATOM 0 HD11 LEU A 61 5.346 7.030 -0.724 1.00 10.00 H new ATOM 0 HD12 LEU A 61 4.939 6.481 -2.368 1.00 10.00 H new ATOM 0 HD13 LEU A 61 4.430 8.095 -1.817 1.00 10.00 H new ATOM 0 HD21 LEU A 61 3.641 7.074 1.045 1.00 10.00 H new ATOM 0 HD22 LEU A 61 2.551 8.151 0.139 1.00 10.00 H new ATOM 0 HD23 LEU A 61 1.966 6.571 0.714 1.00 10.00 H new ATOM 878 N VAL A 62 2.426 10.025 -1.742 1.00 10.00 N ATOM 879 CA VAL A 62 3.315 11.179 -1.833 1.00 10.00 C ATOM 880 C VAL A 62 3.814 11.530 -0.429 1.00 10.00 C ATOM 881 O VAL A 62 3.773 12.674 0.018 1.00 10.00 O ATOM 882 CB VAL A 62 2.577 12.331 -2.552 1.00 10.00 C ATOM 883 CG1 VAL A 62 1.229 12.704 -1.921 1.00 10.00 C ATOM 884 CG2 VAL A 62 3.432 13.598 -2.711 1.00 10.00 C ATOM 0 H VAL A 62 1.773 10.077 -0.960 1.00 10.00 H new ATOM 0 HA VAL A 62 4.200 10.965 -2.432 1.00 10.00 H new ATOM 0 HB VAL A 62 2.378 11.919 -3.541 1.00 10.00 H new ATOM 0 HG11 VAL A 62 0.777 13.520 -2.485 1.00 10.00 H new ATOM 0 HG12 VAL A 62 0.566 11.839 -1.940 1.00 10.00 H new ATOM 0 HG13 VAL A 62 1.385 13.019 -0.889 1.00 10.00 H new ATOM 0 HG21 VAL A 62 2.853 14.366 -3.223 1.00 10.00 H new ATOM 0 HG22 VAL A 62 3.728 13.963 -1.728 1.00 10.00 H new ATOM 0 HG23 VAL A 62 4.322 13.365 -3.295 1.00 10.00 H new ATOM 894 N GLY A 63 4.352 10.531 0.270 1.00 10.00 N ATOM 895 CA GLY A 63 5.130 10.772 1.466 1.00 10.00 C ATOM 896 C GLY A 63 5.992 9.569 1.815 1.00 10.00 C ATOM 897 O GLY A 63 5.624 8.430 1.541 1.00 10.00 O ATOM 0 H GLY A 63 4.258 9.547 0.020 1.00 10.00 H new ATOM 0 HA2 GLY A 63 5.764 11.647 1.320 1.00 10.00 H new ATOM 0 HA3 GLY A 63 4.462 10.997 2.298 1.00 10.00 H new ATOM 901 N ALA A 64 7.121 9.857 2.454 1.00 10.00 N ATOM 902 CA ALA A 64 8.041 8.935 3.094 1.00 10.00 C ATOM 903 C ALA A 64 8.800 9.749 4.144 1.00 10.00 C ATOM 904 O ALA A 64 10.010 9.949 4.058 1.00 10.00 O ATOM 905 CB ALA A 64 8.974 8.314 2.053 1.00 10.00 C ATOM 0 H ALA A 64 7.438 10.822 2.542 1.00 10.00 H new ATOM 0 HA ALA A 64 7.524 8.102 3.570 1.00 10.00 H new ATOM 0 HB1 ALA A 64 9.660 7.624 2.545 1.00 10.00 H new ATOM 0 HB2 ALA A 64 8.384 7.774 1.312 1.00 10.00 H new ATOM 0 HB3 ALA A 64 9.544 9.101 1.559 1.00 10.00 H new ATOM 911 N ALA A 65 8.058 10.279 5.114 1.00 10.00 N ATOM 912 CA ALA A 65 8.563 11.207 6.107 1.00 10.00 C ATOM 913 C ALA A 65 9.231 10.382 7.199 1.00 10.00 C ATOM 914 O ALA A 65 8.582 9.916 8.135 1.00 10.00 O ATOM 915 CB ALA A 65 7.422 12.074 6.648 1.00 10.00 C ATOM 0 H ALA A 65 7.067 10.066 5.229 1.00 10.00 H new ATOM 0 HA ALA A 65 9.293 11.893 5.677 1.00 10.00 H new ATOM 0 HB1 ALA A 65 7.813 12.767 7.393 1.00 10.00 H new ATOM 0 HB2 ALA A 65 6.973 12.637 5.830 1.00 10.00 H new ATOM 0 HB3 ALA A 65 6.667 11.436 7.107 1.00 10.00 H new ATOM 921 N THR A 66 10.532 10.162 7.020 1.00 10.00 N ATOM 922 CA THR A 66 11.367 9.375 7.905 1.00 10.00 C ATOM 923 C THR A 66 12.252 10.312 8.741 1.00 10.00 C ATOM 924 O THR A 66 12.864 11.224 8.180 1.00 10.00 O ATOM 925 CB THR A 66 12.178 8.384 7.057 1.00 10.00 C ATOM 926 OG1 THR A 66 13.069 7.659 7.873 1.00 10.00 O ATOM 927 CG2 THR A 66 12.960 9.009 5.900 1.00 10.00 C ATOM 0 H THR A 66 11.045 10.543 6.225 1.00 10.00 H new ATOM 0 HA THR A 66 10.767 8.798 8.608 1.00 10.00 H new ATOM 0 HB THR A 66 11.433 7.731 6.603 1.00 10.00 H new ATOM 0 HG1 THR A 66 13.579 7.029 7.322 1.00 10.00 H new ATOM 0 HG21 THR A 66 13.499 8.229 5.362 1.00 10.00 H new ATOM 0 HG22 THR A 66 12.268 9.507 5.220 1.00 10.00 H new ATOM 0 HG23 THR A 66 13.670 9.737 6.292 1.00 10.00 H new ATOM 935 N PRO A 67 12.364 10.114 10.067 1.00 10.00 N ATOM 936 CA PRO A 67 13.254 10.893 10.921 1.00 10.00 C ATOM 937 C PRO A 67 14.697 10.414 10.708 1.00 10.00 C ATOM 938 O PRO A 67 15.334 9.878 11.617 1.00 10.00 O ATOM 939 CB PRO A 67 12.742 10.637 12.343 1.00 10.00 C ATOM 940 CG PRO A 67 12.232 9.198 12.264 1.00 10.00 C ATOM 941 CD PRO A 67 11.646 9.121 10.853 1.00 10.00 C ATOM 0 HA PRO A 67 13.258 11.962 10.706 1.00 10.00 H new ATOM 0 HB2 PRO A 67 13.534 10.746 13.084 1.00 10.00 H new ATOM 0 HB3 PRO A 67 11.950 11.333 12.619 1.00 10.00 H new ATOM 0 HG2 PRO A 67 13.036 8.476 12.408 1.00 10.00 H new ATOM 0 HG3 PRO A 67 11.480 8.993 13.026 1.00 10.00 H new ATOM 0 HD2 PRO A 67 11.772 8.124 10.432 1.00 10.00 H new ATOM 0 HD3 PRO A 67 10.576 9.330 10.863 1.00 10.00 H new ATOM 949 N LEU A 68 15.191 10.571 9.476 1.00 10.00 N ATOM 950 CA LEU A 68 16.349 9.840 8.981 1.00 10.00 C ATOM 951 C LEU A 68 16.927 10.505 7.739 1.00 10.00 C ATOM 952 O LEU A 68 18.133 10.715 7.671 1.00 10.00 O ATOM 953 CB LEU A 68 15.928 8.408 8.638 1.00 10.00 C ATOM 954 CG LEU A 68 17.111 7.441 8.504 1.00 10.00 C ATOM 955 CD1 LEU A 68 17.669 7.075 9.880 1.00 10.00 C ATOM 956 CD2 LEU A 68 16.658 6.181 7.756 1.00 10.00 C ATOM 0 H LEU A 68 14.792 11.215 8.793 1.00 10.00 H new ATOM 0 HA LEU A 68 17.115 9.836 9.757 1.00 10.00 H new ATOM 0 HB2 LEU A 68 15.254 8.040 9.411 1.00 10.00 H new ATOM 0 HB3 LEU A 68 15.367 8.416 7.703 1.00 10.00 H new ATOM 0 HG LEU A 68 17.905 7.928 7.939 1.00 10.00 H new ATOM 0 HD11 LEU A 68 18.507 6.388 9.762 1.00 10.00 H new ATOM 0 HD12 LEU A 68 18.009 7.978 10.387 1.00 10.00 H new ATOM 0 HD13 LEU A 68 16.889 6.597 10.473 1.00 10.00 H new ATOM 0 HD21 LEU A 68 17.498 5.493 7.660 1.00 10.00 H new ATOM 0 HD22 LEU A 68 15.854 5.697 8.311 1.00 10.00 H new ATOM 0 HD23 LEU A 68 16.299 6.456 6.764 1.00 10.00 H new ATOM 968 N ALA A 69 16.081 10.837 6.763 1.00 10.00 N ATOM 969 CA ALA A 69 16.481 11.510 5.539 1.00 10.00 C ATOM 970 C ALA A 69 16.236 13.001 5.708 1.00 10.00 C ATOM 971 O ALA A 69 15.137 13.399 6.086 1.00 10.00 O ATOM 972 CB ALA A 69 15.659 10.976 4.365 1.00 10.00 C ATOM 0 H ALA A 69 15.081 10.639 6.807 1.00 10.00 H new ATOM 0 HA ALA A 69 17.537 11.328 5.337 1.00 10.00 H new ATOM 0 HB1 ALA A 69 15.962 11.483 3.449 1.00 10.00 H new ATOM 0 HB2 ALA A 69 15.828 9.904 4.260 1.00 10.00 H new ATOM 0 HB3 ALA A 69 14.600 11.160 4.549 1.00 10.00 H new ATOM 978 N THR A 70 17.235 13.832 5.420 1.00 10.00 N ATOM 979 CA THR A 70 17.009 15.263 5.287 1.00 10.00 C ATOM 980 C THR A 70 16.202 15.526 4.011 1.00 10.00 C ATOM 981 O THR A 70 15.396 16.451 3.971 1.00 10.00 O ATOM 982 CB THR A 70 18.350 16.014 5.285 1.00 10.00 C ATOM 983 OG1 THR A 70 19.140 15.573 6.372 1.00 10.00 O ATOM 984 CG2 THR A 70 18.153 17.525 5.423 1.00 10.00 C ATOM 0 H THR A 70 18.201 13.539 5.276 1.00 10.00 H new ATOM 0 HA THR A 70 16.435 15.633 6.137 1.00 10.00 H new ATOM 0 HB THR A 70 18.840 15.807 4.333 1.00 10.00 H new ATOM 0 HG1 THR A 70 19.546 14.709 6.152 1.00 10.00 H new ATOM 0 HG21 THR A 70 19.124 18.021 5.417 1.00 10.00 H new ATOM 0 HG22 THR A 70 17.554 17.891 4.589 1.00 10.00 H new ATOM 0 HG23 THR A 70 17.641 17.741 6.361 1.00 10.00 H new ATOM 992 N SER A 71 16.433 14.717 2.970 1.00 10.00 N ATOM 993 CA SER A 71 15.904 14.934 1.634 1.00 10.00 C ATOM 994 C SER A 71 15.208 13.663 1.116 1.00 10.00 C ATOM 995 O SER A 71 15.742 12.984 0.238 1.00 10.00 O ATOM 996 CB SER A 71 17.085 15.376 0.759 1.00 10.00 C ATOM 997 OG SER A 71 16.658 15.757 -0.529 1.00 10.00 O ATOM 0 H SER A 71 17.007 13.877 3.043 1.00 10.00 H new ATOM 0 HA SER A 71 15.137 15.708 1.620 1.00 10.00 H new ATOM 0 HB2 SER A 71 17.600 16.211 1.235 1.00 10.00 H new ATOM 0 HB3 SER A 71 17.805 14.562 0.679 1.00 10.00 H new ATOM 0 HG SER A 71 16.327 14.970 -1.010 1.00 10.00 H new ATOM 1003 N PRO A 72 14.017 13.315 1.630 1.00 10.00 N ATOM 1004 CA PRO A 72 13.204 12.255 1.054 1.00 10.00 C ATOM 1005 C PRO A 72 12.639 12.732 -0.290 1.00 10.00 C ATOM 1006 O PRO A 72 11.984 13.771 -0.345 1.00 10.00 O ATOM 1007 CB PRO A 72 12.108 11.983 2.088 1.00 10.00 C ATOM 1008 CG PRO A 72 11.933 13.334 2.784 1.00 10.00 C ATOM 1009 CD PRO A 72 13.338 13.941 2.754 1.00 10.00 C ATOM 0 HA PRO A 72 13.761 11.341 0.847 1.00 10.00 H new ATOM 0 HB2 PRO A 72 11.183 11.652 1.615 1.00 10.00 H new ATOM 0 HB3 PRO A 72 12.403 11.204 2.791 1.00 10.00 H new ATOM 0 HG2 PRO A 72 11.213 13.964 2.261 1.00 10.00 H new ATOM 0 HG3 PRO A 72 11.570 13.215 3.805 1.00 10.00 H new ATOM 0 HD2 PRO A 72 13.294 15.023 2.631 1.00 10.00 H new ATOM 0 HD3 PRO A 72 13.867 13.748 3.687 1.00 10.00 H new ATOM 1017 N MET A 73 12.914 12.004 -1.378 1.00 10.00 N ATOM 1018 CA MET A 73 12.578 12.403 -2.739 1.00 10.00 C ATOM 1019 C MET A 73 12.208 11.174 -3.568 1.00 10.00 C ATOM 1020 O MET A 73 12.992 10.238 -3.693 1.00 10.00 O ATOM 1021 CB MET A 73 13.779 13.103 -3.379 1.00 10.00 C ATOM 1022 CG MET A 73 13.957 14.539 -2.879 1.00 10.00 C ATOM 1023 SD MET A 73 15.421 15.368 -3.540 1.00 10.00 S ATOM 1024 CE MET A 73 15.082 17.058 -2.996 1.00 10.00 C ATOM 0 H MET A 73 13.387 11.102 -1.330 1.00 10.00 H new ATOM 0 HA MET A 73 11.728 13.085 -2.709 1.00 10.00 H new ATOM 0 HB2 MET A 73 14.683 12.533 -3.166 1.00 10.00 H new ATOM 0 HB3 MET A 73 13.655 13.112 -4.462 1.00 10.00 H new ATOM 0 HG2 MET A 73 13.073 15.118 -3.145 1.00 10.00 H new ATOM 0 HG3 MET A 73 14.017 14.530 -1.791 1.00 10.00 H new ATOM 0 HE1 MET A 73 15.923 17.700 -3.258 1.00 10.00 H new ATOM 0 HE2 MET A 73 14.180 17.424 -3.486 1.00 10.00 H new ATOM 0 HE3 MET A 73 14.938 17.071 -1.916 1.00 10.00 H new ATOM 1034 N LEU A 74 11.019 11.187 -4.163 1.00 10.00 N ATOM 1035 CA LEU A 74 10.493 10.088 -4.957 1.00 10.00 C ATOM 1036 C LEU A 74 11.045 10.166 -6.391 1.00 10.00 C ATOM 1037 O LEU A 74 11.184 11.261 -6.944 1.00 10.00 O ATOM 1038 CB LEU A 74 8.950 10.217 -4.946 1.00 10.00 C ATOM 1039 CG LEU A 74 8.339 9.858 -3.573 1.00 10.00 C ATOM 1040 CD1 LEU A 74 6.878 10.303 -3.475 1.00 10.00 C ATOM 1041 CD2 LEU A 74 8.386 8.350 -3.320 1.00 10.00 C ATOM 0 H LEU A 74 10.382 11.981 -4.103 1.00 10.00 H new ATOM 0 HA LEU A 74 10.792 9.124 -4.546 1.00 10.00 H new ATOM 0 HB2 LEU A 74 8.672 11.237 -5.209 1.00 10.00 H new ATOM 0 HB3 LEU A 74 8.528 9.564 -5.710 1.00 10.00 H new ATOM 0 HG LEU A 74 8.937 10.382 -2.827 1.00 10.00 H new ATOM 0 HD11 LEU A 74 6.481 10.034 -2.496 1.00 10.00 H new ATOM 0 HD12 LEU A 74 6.817 11.383 -3.607 1.00 10.00 H new ATOM 0 HD13 LEU A 74 6.294 9.809 -4.252 1.00 10.00 H new ATOM 0 HD21 LEU A 74 7.949 8.131 -2.346 1.00 10.00 H new ATOM 0 HD22 LEU A 74 7.821 7.833 -4.096 1.00 10.00 H new ATOM 0 HD23 LEU A 74 9.422 8.010 -3.338 1.00 10.00 H new ATOM 1053 N MET A 75 11.375 9.011 -6.986 1.00 10.00 N ATOM 1054 CA MET A 75 11.953 8.902 -8.327 1.00 10.00 C ATOM 1055 C MET A 75 11.369 7.700 -9.066 1.00 10.00 C ATOM 1056 O MET A 75 10.986 6.729 -8.424 1.00 10.00 O ATOM 1057 CB MET A 75 13.472 8.766 -8.209 1.00 10.00 C ATOM 1058 CG MET A 75 14.185 8.762 -9.564 1.00 10.00 C ATOM 1059 SD MET A 75 15.954 9.134 -9.494 1.00 10.00 S ATOM 1060 CE MET A 75 15.927 10.914 -9.176 1.00 10.00 C ATOM 0 H MET A 75 11.243 8.106 -6.534 1.00 10.00 H new ATOM 0 HA MET A 75 11.711 9.799 -8.897 1.00 10.00 H new ATOM 0 HB2 MET A 75 13.858 9.587 -7.605 1.00 10.00 H new ATOM 0 HB3 MET A 75 13.707 7.843 -7.679 1.00 10.00 H new ATOM 0 HG2 MET A 75 14.052 7.783 -10.025 1.00 10.00 H new ATOM 0 HG3 MET A 75 13.701 9.490 -10.215 1.00 10.00 H new ATOM 0 HE1 MET A 75 16.741 11.175 -8.500 1.00 10.00 H new ATOM 0 HE2 MET A 75 16.049 11.453 -10.115 1.00 10.00 H new ATOM 0 HE3 MET A 75 14.975 11.188 -8.721 1.00 10.00 H new ATOM 1070 N THR A 76 11.325 7.770 -10.400 1.00 10.00 N ATOM 1071 CA THR A 76 10.488 6.934 -11.247 1.00 10.00 C ATOM 1072 C THR A 76 11.227 6.521 -12.526 1.00 10.00 C ATOM 1073 O THR A 76 11.509 7.384 -13.361 1.00 10.00 O ATOM 1074 CB THR A 76 9.296 7.799 -11.651 1.00 10.00 C ATOM 1075 OG1 THR A 76 9.785 9.038 -12.124 1.00 10.00 O ATOM 1076 CG2 THR A 76 8.300 8.029 -10.516 1.00 10.00 C ATOM 0 H THR A 76 11.891 8.433 -10.931 1.00 10.00 H new ATOM 0 HA THR A 76 10.201 6.029 -10.711 1.00 10.00 H new ATOM 0 HB THR A 76 8.748 7.267 -12.428 1.00 10.00 H new ATOM 0 HG1 THR A 76 10.552 8.883 -12.714 1.00 10.00 H new ATOM 0 HG21 THR A 76 7.479 8.651 -10.873 1.00 10.00 H new ATOM 0 HG22 THR A 76 7.908 7.070 -10.176 1.00 10.00 H new ATOM 0 HG23 THR A 76 8.801 8.530 -9.688 1.00 10.00 H new ATOM 1084 N THR A 77 11.494 5.229 -12.736 1.00 10.00 N ATOM 1085 CA THR A 77 11.893 4.734 -14.063 1.00 10.00 C ATOM 1086 C THR A 77 11.389 3.320 -14.388 1.00 10.00 C ATOM 1087 O THR A 77 12.149 2.408 -14.688 1.00 10.00 O ATOM 1088 CB THR A 77 13.385 5.014 -14.356 1.00 10.00 C ATOM 1089 OG1 THR A 77 13.524 5.474 -15.685 1.00 10.00 O ATOM 1090 CG2 THR A 77 14.424 3.913 -14.118 1.00 10.00 C ATOM 0 H THR A 77 11.443 4.510 -12.014 1.00 10.00 H new ATOM 0 HA THR A 77 11.354 5.328 -14.801 1.00 10.00 H new ATOM 0 HB THR A 77 13.627 5.751 -13.591 1.00 10.00 H new ATOM 0 HG1 THR A 77 14.469 5.654 -15.872 1.00 10.00 H new ATOM 0 HG21 THR A 77 15.415 4.286 -14.376 1.00 10.00 H new ATOM 0 HG22 THR A 77 14.409 3.619 -13.068 1.00 10.00 H new ATOM 0 HG23 THR A 77 14.188 3.049 -14.740 1.00 10.00 H new ATOM 1098 N THR A 78 10.073 3.128 -14.390 1.00 10.00 N ATOM 1099 CA THR A 78 9.477 1.885 -14.868 1.00 10.00 C ATOM 1100 C THR A 78 8.161 2.183 -15.587 1.00 10.00 C ATOM 1101 O THR A 78 7.240 2.779 -15.028 1.00 10.00 O ATOM 1102 CB THR A 78 9.371 0.848 -13.739 1.00 10.00 C ATOM 1103 OG1 THR A 78 8.508 -0.212 -14.104 1.00 10.00 O ATOM 1104 CG2 THR A 78 8.883 1.461 -12.432 1.00 10.00 C ATOM 0 H THR A 78 9.398 3.820 -14.065 1.00 10.00 H new ATOM 0 HA THR A 78 10.128 1.420 -15.608 1.00 10.00 H new ATOM 0 HB THR A 78 10.379 0.464 -13.581 1.00 10.00 H new ATOM 0 HG1 THR A 78 8.458 -0.860 -13.371 1.00 10.00 H new ATOM 0 HG21 THR A 78 8.825 0.687 -11.666 1.00 10.00 H new ATOM 0 HG22 THR A 78 9.578 2.237 -12.112 1.00 10.00 H new ATOM 0 HG23 THR A 78 7.896 1.898 -12.581 1.00 10.00 H new ATOM 1112 N HIS A 79 8.097 1.792 -16.864 1.00 10.00 N ATOM 1113 CA HIS A 79 7.004 2.085 -17.777 1.00 10.00 C ATOM 1114 C HIS A 79 5.824 1.154 -17.475 1.00 10.00 C ATOM 1115 O HIS A 79 5.427 0.350 -18.314 1.00 10.00 O ATOM 1116 CB HIS A 79 7.496 1.919 -19.228 1.00 10.00 C ATOM 1117 CG HIS A 79 8.557 2.877 -19.734 1.00 10.00 C ATOM 1118 ND1 HIS A 79 9.586 3.446 -19.029 1.00 10.00 N flip ATOM 1119 CD2 HIS A 79 8.668 3.254 -21.073 1.00 10.00 C flip ATOM 1120 CE1 HIS A 79 10.320 4.174 -19.937 1.00 10.00 C flip ATOM 1121 NE2 HIS A 79 9.749 4.043 -21.146 1.00 10.00 N flip ATOM 0 H HIS A 79 8.837 1.242 -17.300 1.00 10.00 H new ATOM 0 HA HIS A 79 6.666 3.113 -17.646 1.00 10.00 H new ATOM 0 HB2 HIS A 79 7.883 0.906 -19.336 1.00 10.00 H new ATOM 0 HB3 HIS A 79 6.631 2.002 -19.886 1.00 10.00 H new ATOM 0 HD2 HIS A 79 8.016 2.968 -21.885 1.00 10.00 H new ATOM 0 HE1 HIS A 79 11.205 4.752 -19.715 1.00 10.00 H new ATOM 0 HE2 HIS A 79 10.091 4.483 -22.001 1.00 10.00 H new ATOM 1129 N SER A 80 5.278 1.244 -16.260 1.00 10.00 N ATOM 1130 CA SER A 80 4.144 0.454 -15.790 1.00 10.00 C ATOM 1131 C SER A 80 3.556 1.113 -14.541 1.00 10.00 C ATOM 1132 O SER A 80 2.378 1.457 -14.514 1.00 10.00 O ATOM 1133 CB SER A 80 4.574 -0.990 -15.485 1.00 10.00 C ATOM 1134 OG SER A 80 4.759 -1.737 -16.671 1.00 10.00 O ATOM 0 H SER A 80 5.627 1.892 -15.554 1.00 10.00 H new ATOM 0 HA SER A 80 3.385 0.417 -16.572 1.00 10.00 H new ATOM 0 HB2 SER A 80 5.501 -0.981 -14.911 1.00 10.00 H new ATOM 0 HB3 SER A 80 3.819 -1.472 -14.864 1.00 10.00 H new ATOM 0 HG SER A 80 5.011 -1.134 -17.401 1.00 10.00 H new ATOM 1140 N GLY A 81 4.385 1.277 -13.507 1.00 10.00 N ATOM 1141 CA GLY A 81 4.006 1.975 -12.290 1.00 10.00 C ATOM 1142 C GLY A 81 4.459 3.427 -12.399 1.00 10.00 C ATOM 1143 O GLY A 81 3.758 4.269 -12.953 1.00 10.00 O ATOM 0 H GLY A 81 5.342 0.925 -13.497 1.00 10.00 H new ATOM 0 HA2 GLY A 81 2.927 1.926 -12.146 1.00 10.00 H new ATOM 0 HA3 GLY A 81 4.465 1.500 -11.423 1.00 10.00 H new ATOM 1147 N GLY A 82 5.657 3.704 -11.881 1.00 10.00 N ATOM 1148 CA GLY A 82 6.243 5.029 -11.838 1.00 10.00 C ATOM 1149 C GLY A 82 7.214 5.229 -12.997 1.00 10.00 C ATOM 1150 O GLY A 82 8.384 4.850 -12.910 1.00 10.00 O ATOM 0 H GLY A 82 6.256 2.988 -11.471 1.00 10.00 H new ATOM 0 HA2 GLY A 82 5.456 5.781 -11.883 1.00 10.00 H new ATOM 0 HA3 GLY A 82 6.765 5.170 -10.892 1.00 10.00 H new ATOM 1154 N MET A 83 6.752 5.871 -14.071 1.00 10.00 N ATOM 1155 CA MET A 83 7.605 6.299 -15.170 1.00 10.00 C ATOM 1156 C MET A 83 8.030 7.743 -14.947 1.00 10.00 C ATOM 1157 O MET A 83 7.203 8.560 -14.551 1.00 10.00 O ATOM 1158 CB MET A 83 6.834 6.226 -16.495 1.00 10.00 C ATOM 1159 CG MET A 83 7.697 5.707 -17.648 1.00 10.00 C ATOM 1160 SD MET A 83 9.020 6.773 -18.281 1.00 10.00 S ATOM 1161 CE MET A 83 8.055 8.114 -19.013 1.00 10.00 C ATOM 0 H MET A 83 5.768 6.108 -14.199 1.00 10.00 H new ATOM 0 HA MET A 83 8.476 5.645 -15.211 1.00 10.00 H new ATOM 0 HB2 MET A 83 5.968 5.575 -16.372 1.00 10.00 H new ATOM 0 HB3 MET A 83 6.455 7.217 -16.746 1.00 10.00 H new ATOM 0 HG2 MET A 83 8.151 4.769 -17.327 1.00 10.00 H new ATOM 0 HG3 MET A 83 7.033 5.472 -18.480 1.00 10.00 H new ATOM 0 HE1 MET A 83 8.720 8.788 -19.553 1.00 10.00 H new ATOM 0 HE2 MET A 83 7.320 7.699 -19.703 1.00 10.00 H new ATOM 0 HE3 MET A 83 7.542 8.665 -18.225 1.00 10.00 H new ATOM 1171 N ALA A 84 9.287 8.043 -15.278 1.00 10.00 N ATOM 1172 CA ALA A 84 9.731 9.311 -15.840 1.00 10.00 C ATOM 1173 C ALA A 84 11.253 9.368 -15.847 1.00 10.00 C ATOM 1174 O ALA A 84 11.856 10.223 -15.208 1.00 10.00 O ATOM 1175 CB ALA A 84 9.089 10.540 -15.195 1.00 10.00 C ATOM 0 H ALA A 84 10.052 7.379 -15.155 1.00 10.00 H new ATOM 0 HA ALA A 84 9.379 9.349 -16.871 1.00 10.00 H new ATOM 0 HB1 ALA A 84 9.473 11.443 -15.670 1.00 10.00 H new ATOM 0 HB2 ALA A 84 8.007 10.495 -15.322 1.00 10.00 H new ATOM 0 HB3 ALA A 84 9.328 10.560 -14.132 1.00 10.00 H new ATOM 1181 N GLY A 85 11.864 8.454 -16.602 1.00 10.00 N ATOM 1182 CA GLY A 85 13.284 8.446 -16.919 1.00 10.00 C ATOM 1183 C GLY A 85 14.208 8.738 -15.729 1.00 10.00 C ATOM 1184 O GLY A 85 15.219 9.416 -15.888 1.00 10.00 O ATOM 0 H GLY A 85 11.361 7.673 -17.023 1.00 10.00 H new ATOM 0 HA2 GLY A 85 13.544 7.472 -17.333 1.00 10.00 H new ATOM 0 HA3 GLY A 85 13.473 9.185 -17.698 1.00 10.00 H new ATOM 1188 N MET A 86 13.862 8.230 -14.544 1.00 10.00 N ATOM 1189 CA MET A 86 14.616 8.390 -13.308 1.00 10.00 C ATOM 1190 C MET A 86 14.786 9.873 -12.935 1.00 10.00 C ATOM 1191 O MET A 86 15.814 10.279 -12.398 1.00 10.00 O ATOM 1192 CB MET A 86 15.942 7.599 -13.384 1.00 10.00 C ATOM 1193 CG MET A 86 16.165 6.656 -12.194 1.00 10.00 C ATOM 1194 SD MET A 86 17.887 6.221 -11.834 1.00 10.00 S ATOM 1195 CE MET A 86 18.393 5.497 -13.409 1.00 10.00 C ATOM 0 H MET A 86 13.015 7.675 -14.419 1.00 10.00 H new ATOM 0 HA MET A 86 14.049 7.959 -12.483 1.00 10.00 H new ATOM 0 HB2 MET A 86 15.956 7.017 -14.305 1.00 10.00 H new ATOM 0 HB3 MET A 86 16.772 8.303 -13.439 1.00 10.00 H new ATOM 0 HG2 MET A 86 15.735 7.117 -11.305 1.00 10.00 H new ATOM 0 HG3 MET A 86 15.610 5.736 -12.376 1.00 10.00 H new ATOM 0 HE1 MET A 86 19.350 4.991 -13.286 1.00 10.00 H new ATOM 0 HE2 MET A 86 17.642 4.778 -13.737 1.00 10.00 H new ATOM 0 HE3 MET A 86 18.493 6.284 -14.156 1.00 10.00 H new ATOM 1205 N LYS A 87 13.752 10.683 -13.172 1.00 10.00 N ATOM 1206 CA LYS A 87 13.717 12.083 -12.757 1.00 10.00 C ATOM 1207 C LYS A 87 13.043 12.225 -11.389 1.00 10.00 C ATOM 1208 O LYS A 87 12.314 11.334 -10.956 1.00 10.00 O ATOM 1209 CB LYS A 87 13.067 12.941 -13.853 1.00 10.00 C ATOM 1210 CG LYS A 87 11.536 12.826 -13.969 1.00 10.00 C ATOM 1211 CD LYS A 87 10.795 13.927 -13.196 1.00 10.00 C ATOM 1212 CE LYS A 87 9.455 14.296 -13.844 1.00 10.00 C ATOM 1213 NZ LYS A 87 9.629 15.104 -15.070 1.00 10.00 N ATOM 0 H LYS A 87 12.910 10.381 -13.661 1.00 10.00 H new ATOM 0 HA LYS A 87 14.734 12.455 -12.631 1.00 10.00 H new ATOM 0 HB2 LYS A 87 13.322 13.985 -13.671 1.00 10.00 H new ATOM 0 HB3 LYS A 87 13.507 12.668 -14.812 1.00 10.00 H new ATOM 0 HG2 LYS A 87 11.252 12.872 -15.020 1.00 10.00 H new ATOM 0 HG3 LYS A 87 11.220 11.852 -13.596 1.00 10.00 H new ATOM 0 HD2 LYS A 87 10.621 13.594 -12.173 1.00 10.00 H new ATOM 0 HD3 LYS A 87 11.425 14.815 -13.140 1.00 10.00 H new ATOM 0 HE2 LYS A 87 8.908 13.385 -14.086 1.00 10.00 H new ATOM 0 HE3 LYS A 87 8.848 14.851 -13.128 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 8.697 15.386 -15.435 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 10.186 15.954 -14.849 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 10.126 14.541 -15.789 1.00 10.00 H new ATOM 1227 N MET A 88 13.264 13.358 -10.717 1.00 10.00 N ATOM 1228 CA MET A 88 12.684 13.644 -9.411 1.00 10.00 C ATOM 1229 C MET A 88 11.254 14.124 -9.653 1.00 10.00 C ATOM 1230 O MET A 88 11.056 15.142 -10.316 1.00 10.00 O ATOM 1231 CB MET A 88 13.522 14.734 -8.730 1.00 10.00 C ATOM 1232 CG MET A 88 12.970 15.117 -7.350 1.00 10.00 C ATOM 1233 SD MET A 88 13.839 16.471 -6.516 1.00 10.00 S ATOM 1234 CE MET A 88 13.433 17.867 -7.590 1.00 10.00 C ATOM 0 H MET A 88 13.858 14.108 -11.072 1.00 10.00 H new ATOM 0 HA MET A 88 12.675 12.767 -8.764 1.00 10.00 H new ATOM 0 HB2 MET A 88 14.549 14.386 -8.624 1.00 10.00 H new ATOM 0 HB3 MET A 88 13.549 15.619 -9.366 1.00 10.00 H new ATOM 0 HG2 MET A 88 11.922 15.394 -7.461 1.00 10.00 H new ATOM 0 HG3 MET A 88 13.001 14.237 -6.708 1.00 10.00 H new ATOM 0 HE1 MET A 88 13.730 18.797 -7.106 1.00 10.00 H new ATOM 0 HE2 MET A 88 13.965 17.765 -8.536 1.00 10.00 H new ATOM 0 HE3 MET A 88 12.359 17.882 -7.777 1.00 10.00 H new ATOM 1244 N VAL A 89 10.262 13.359 -9.193 1.00 10.00 N ATOM 1245 CA VAL A 89 8.872 13.551 -9.597 1.00 10.00 C ATOM 1246 C VAL A 89 8.048 14.306 -8.553 1.00 10.00 C ATOM 1247 O VAL A 89 8.479 14.427 -7.408 1.00 10.00 O ATOM 1248 CB VAL A 89 8.211 12.189 -9.887 1.00 10.00 C ATOM 1249 CG1 VAL A 89 8.615 11.680 -11.269 1.00 10.00 C ATOM 1250 CG2 VAL A 89 8.515 11.147 -8.805 1.00 10.00 C ATOM 0 H VAL A 89 10.401 12.593 -8.533 1.00 10.00 H new ATOM 0 HA VAL A 89 8.890 14.161 -10.500 1.00 10.00 H new ATOM 0 HB VAL A 89 7.132 12.346 -9.874 1.00 10.00 H new ATOM 0 HG11 VAL A 89 8.139 10.718 -11.456 1.00 10.00 H new ATOM 0 HG12 VAL A 89 8.297 12.395 -12.027 1.00 10.00 H new ATOM 0 HG13 VAL A 89 9.698 11.563 -11.311 1.00 10.00 H new ATOM 0 HG21 VAL A 89 8.026 10.206 -9.058 1.00 10.00 H new ATOM 0 HG22 VAL A 89 9.592 10.991 -8.743 1.00 10.00 H new ATOM 0 HG23 VAL A 89 8.144 11.502 -7.844 1.00 10.00 H new ATOM 1260 N PRO A 90 6.823 14.733 -8.926 1.00 10.00 N ATOM 1261 CA PRO A 90 5.714 14.896 -7.992 1.00 10.00 C ATOM 1262 C PRO A 90 5.712 13.805 -6.916 1.00 10.00 C ATOM 1263 O PRO A 90 5.757 14.116 -5.730 1.00 10.00 O ATOM 1264 CB PRO A 90 4.437 14.880 -8.851 1.00 10.00 C ATOM 1265 CG PRO A 90 4.872 14.421 -10.238 1.00 10.00 C ATOM 1266 CD PRO A 90 6.327 14.857 -10.293 1.00 10.00 C ATOM 0 HA PRO A 90 5.793 15.830 -7.436 1.00 10.00 H new ATOM 0 HB2 PRO A 90 3.692 14.203 -8.431 1.00 10.00 H new ATOM 0 HB3 PRO A 90 3.981 15.869 -8.892 1.00 10.00 H new ATOM 0 HG2 PRO A 90 4.768 13.343 -10.359 1.00 10.00 H new ATOM 0 HG3 PRO A 90 4.279 14.889 -11.024 1.00 10.00 H new ATOM 0 HD2 PRO A 90 6.899 14.230 -10.977 1.00 10.00 H new ATOM 0 HD3 PRO A 90 6.416 15.883 -10.651 1.00 10.00 H new ATOM 1274 N TRP A 91 5.643 12.543 -7.348 1.00 10.00 N ATOM 1275 CA TRP A 91 5.410 11.336 -6.579 1.00 10.00 C ATOM 1276 C TRP A 91 5.096 10.256 -7.620 1.00 10.00 C ATOM 1277 O TRP A 91 5.234 10.521 -8.817 1.00 10.00 O ATOM 1278 CB TRP A 91 4.261 11.508 -5.568 1.00 10.00 C ATOM 1279 CG TRP A 91 2.895 11.682 -6.143 1.00 10.00 C ATOM 1280 CD1 TRP A 91 2.066 10.663 -6.444 1.00 10.00 C ATOM 1281 CD2 TRP A 91 2.167 12.897 -6.485 1.00 10.00 C ATOM 1282 NE1 TRP A 91 0.974 11.146 -7.121 1.00 10.00 N ATOM 1283 CE2 TRP A 91 0.979 12.519 -7.166 1.00 10.00 C ATOM 1284 CE3 TRP A 91 2.388 14.278 -6.316 1.00 10.00 C ATOM 1285 CZ2 TRP A 91 0.106 13.455 -7.721 1.00 10.00 C ATOM 1286 CZ3 TRP A 91 1.492 15.234 -6.831 1.00 10.00 C ATOM 1287 CH2 TRP A 91 0.360 14.822 -7.555 1.00 10.00 C ATOM 0 H TRP A 91 5.761 12.330 -8.339 1.00 10.00 H new ATOM 0 HA TRP A 91 6.277 11.073 -5.972 1.00 10.00 H new ATOM 0 HB2 TRP A 91 4.248 10.637 -4.913 1.00 10.00 H new ATOM 0 HB3 TRP A 91 4.482 12.373 -4.943 1.00 10.00 H new ATOM 0 HD1 TRP A 91 2.235 9.627 -6.192 1.00 10.00 H new ATOM 0 HE1 TRP A 91 0.251 10.560 -7.538 1.00 10.00 H new ATOM 0 HE3 TRP A 91 3.264 14.611 -5.779 1.00 10.00 H new ATOM 0 HZ2 TRP A 91 -0.761 13.127 -8.276 1.00 10.00 H new ATOM 0 HZ3 TRP A 91 1.675 16.286 -6.669 1.00 10.00 H new ATOM 0 HH2 TRP A 91 -0.310 15.555 -7.980 1.00 10.00 H new ATOM 1298 N LEU A 92 4.640 9.076 -7.190 1.00 10.00 N ATOM 1299 CA LEU A 92 4.219 8.000 -8.080 1.00 10.00 C ATOM 1300 C LEU A 92 2.754 7.614 -7.833 1.00 10.00 C ATOM 1301 O LEU A 92 2.406 7.023 -6.814 1.00 10.00 O ATOM 1302 CB LEU A 92 5.237 6.842 -8.077 1.00 10.00 C ATOM 1303 CG LEU A 92 5.503 6.009 -6.806 1.00 10.00 C ATOM 1304 CD1 LEU A 92 5.493 6.790 -5.490 1.00 10.00 C ATOM 1305 CD2 LEU A 92 4.620 4.763 -6.695 1.00 10.00 C ATOM 0 H LEU A 92 4.553 8.842 -6.201 1.00 10.00 H new ATOM 0 HA LEU A 92 4.226 8.353 -9.111 1.00 10.00 H new ATOM 0 HB2 LEU A 92 4.926 6.144 -8.854 1.00 10.00 H new ATOM 0 HB3 LEU A 92 6.194 7.260 -8.388 1.00 10.00 H new ATOM 0 HG LEU A 92 6.534 5.686 -6.954 1.00 10.00 H new ATOM 0 HD11 LEU A 92 5.690 6.110 -4.662 1.00 10.00 H new ATOM 0 HD12 LEU A 92 6.264 7.560 -5.518 1.00 10.00 H new ATOM 0 HD13 LEU A 92 4.518 7.257 -5.352 1.00 10.00 H new ATOM 0 HD21 LEU A 92 4.862 4.226 -5.778 1.00 10.00 H new ATOM 0 HD22 LEU A 92 3.572 5.061 -6.676 1.00 10.00 H new ATOM 0 HD23 LEU A 92 4.797 4.114 -7.553 1.00 10.00 H new ATOM 1317 N THR A 93 1.874 7.998 -8.762 1.00 10.00 N ATOM 1318 CA THR A 93 0.533 7.435 -8.881 1.00 10.00 C ATOM 1319 C THR A 93 0.657 6.119 -9.649 1.00 10.00 C ATOM 1320 O THR A 93 1.293 6.101 -10.701 1.00 10.00 O ATOM 1321 CB THR A 93 -0.373 8.417 -9.644 1.00 10.00 C ATOM 1322 OG1 THR A 93 -0.387 9.679 -9.008 1.00 10.00 O ATOM 1323 CG2 THR A 93 -1.821 7.938 -9.787 1.00 10.00 C ATOM 0 H THR A 93 2.078 8.716 -9.458 1.00 10.00 H new ATOM 0 HA THR A 93 0.093 7.260 -7.899 1.00 10.00 H new ATOM 0 HB THR A 93 0.056 8.485 -10.644 1.00 10.00 H new ATOM 0 HG1 THR A 93 -0.967 10.291 -9.508 1.00 10.00 H new ATOM 0 HG21 THR A 93 -2.398 8.683 -10.335 1.00 10.00 H new ATOM 0 HG22 THR A 93 -1.840 6.993 -10.329 1.00 10.00 H new ATOM 0 HG23 THR A 93 -2.257 7.797 -8.798 1.00 10.00 H new ATOM 1331 N ILE A 94 0.061 5.034 -9.143 1.00 10.00 N ATOM 1332 CA ILE A 94 0.021 3.748 -9.833 1.00 10.00 C ATOM 1333 C ILE A 94 -1.404 3.527 -10.339 1.00 10.00 C ATOM 1334 O ILE A 94 -2.355 3.746 -9.589 1.00 10.00 O ATOM 1335 CB ILE A 94 0.513 2.596 -8.933 1.00 10.00 C ATOM 1336 CG1 ILE A 94 -0.306 2.422 -7.640 1.00 10.00 C ATOM 1337 CG2 ILE A 94 1.988 2.833 -8.585 1.00 10.00 C ATOM 1338 CD1 ILE A 94 -1.299 1.262 -7.728 1.00 10.00 C ATOM 0 H ILE A 94 -0.409 5.027 -8.238 1.00 10.00 H new ATOM 0 HA ILE A 94 0.706 3.760 -10.681 1.00 10.00 H new ATOM 0 HB ILE A 94 0.383 1.673 -9.498 1.00 10.00 H new ATOM 0 HG12 ILE A 94 0.372 2.253 -6.804 1.00 10.00 H new ATOM 0 HG13 ILE A 94 -0.847 3.344 -7.430 1.00 10.00 H new ATOM 0 HG21 ILE A 94 2.346 2.024 -7.949 1.00 10.00 H new ATOM 0 HG22 ILE A 94 2.578 2.862 -9.501 1.00 10.00 H new ATOM 0 HG23 ILE A 94 2.090 3.782 -8.058 1.00 10.00 H new ATOM 0 HD11 ILE A 94 -1.850 1.183 -6.791 1.00 10.00 H new ATOM 0 HD12 ILE A 94 -1.997 1.442 -8.546 1.00 10.00 H new ATOM 0 HD13 ILE A 94 -0.758 0.333 -7.910 1.00 10.00 H new ATOM 1350 N PRO A 95 -1.591 3.141 -11.608 1.00 10.00 N ATOM 1351 CA PRO A 95 -2.918 2.926 -12.141 1.00 10.00 C ATOM 1352 C PRO A 95 -3.487 1.614 -11.602 1.00 10.00 C ATOM 1353 O PRO A 95 -2.783 0.605 -11.554 1.00 10.00 O ATOM 1354 CB PRO A 95 -2.735 2.883 -13.660 1.00 10.00 C ATOM 1355 CG PRO A 95 -1.320 2.325 -13.826 1.00 10.00 C ATOM 1356 CD PRO A 95 -0.574 2.902 -12.622 1.00 10.00 C ATOM 0 HA PRO A 95 -3.622 3.707 -11.854 1.00 10.00 H new ATOM 0 HB2 PRO A 95 -3.478 2.244 -14.137 1.00 10.00 H new ATOM 0 HB3 PRO A 95 -2.832 3.873 -14.106 1.00 10.00 H new ATOM 0 HG2 PRO A 95 -1.314 1.235 -13.819 1.00 10.00 H new ATOM 0 HG3 PRO A 95 -0.870 2.641 -14.767 1.00 10.00 H new ATOM 0 HD2 PRO A 95 0.184 2.207 -12.261 1.00 10.00 H new ATOM 0 HD3 PRO A 95 -0.059 3.826 -12.886 1.00 10.00 H new ATOM 1364 N ALA A 96 -4.780 1.623 -11.265 1.00 10.00 N ATOM 1365 CA ALA A 96 -5.584 0.415 -11.155 1.00 10.00 C ATOM 1366 C ALA A 96 -5.025 -0.565 -10.112 1.00 10.00 C ATOM 1367 O ALA A 96 -4.351 -0.157 -9.162 1.00 10.00 O ATOM 1368 CB ALA A 96 -5.649 -0.206 -12.557 1.00 10.00 C ATOM 0 H ALA A 96 -5.297 2.478 -11.060 1.00 10.00 H new ATOM 0 HA ALA A 96 -6.585 0.658 -10.800 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -6.244 -1.118 -12.524 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -6.108 0.502 -13.247 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -4.641 -0.443 -12.897 1.00 10.00 H new ATOM 1374 N ARG A 97 -5.271 -1.866 -10.303 1.00 10.00 N ATOM 1375 CA ARG A 97 -4.643 -2.959 -9.566 1.00 10.00 C ATOM 1376 C ARG A 97 -3.121 -3.072 -9.803 1.00 10.00 C ATOM 1377 O ARG A 97 -2.610 -4.153 -10.089 1.00 10.00 O ATOM 1378 CB ARG A 97 -5.394 -4.269 -9.875 1.00 10.00 C ATOM 1379 CG ARG A 97 -5.470 -4.590 -11.381 1.00 10.00 C ATOM 1380 CD ARG A 97 -4.767 -5.896 -11.762 1.00 10.00 C ATOM 1381 NE ARG A 97 -5.502 -7.059 -11.245 1.00 10.00 N ATOM 1382 CZ ARG A 97 -5.144 -8.336 -11.445 1.00 10.00 C ATOM 1383 NH1 ARG A 97 -4.002 -8.611 -12.084 1.00 10.00 N ATOM 1384 NH2 ARG A 97 -5.930 -9.328 -11.011 1.00 10.00 N ATOM 0 H ARG A 97 -5.938 -2.194 -11.001 1.00 10.00 H new ATOM 0 HA ARG A 97 -4.727 -2.742 -8.501 1.00 10.00 H new ATOM 0 HB2 ARG A 97 -4.900 -5.093 -9.360 1.00 10.00 H new ATOM 0 HB3 ARG A 97 -6.405 -4.203 -9.474 1.00 10.00 H new ATOM 0 HG2 ARG A 97 -6.517 -4.649 -11.680 1.00 10.00 H new ATOM 0 HG3 ARG A 97 -5.024 -3.769 -11.943 1.00 10.00 H new ATOM 0 HD2 ARG A 97 -4.685 -5.966 -12.847 1.00 10.00 H new ATOM 0 HD3 ARG A 97 -3.752 -5.896 -11.365 1.00 10.00 H new ATOM 0 HE ARG A 97 -6.343 -6.883 -10.696 1.00 10.00 H new ATOM 0 HH11 ARG A 97 -3.408 -7.851 -12.417 1.00 10.00 H new ATOM 0 HH12 ARG A 97 -3.725 -9.580 -12.239 1.00 10.00 H new ATOM 0 HH21 ARG A 97 -6.802 -9.113 -10.528 1.00 10.00 H new ATOM 0 HH22 ARG A 97 -5.657 -10.299 -11.164 1.00 10.00 H new ATOM 1398 N GLY A 98 -2.377 -1.974 -9.652 1.00 10.00 N ATOM 1399 CA GLY A 98 -0.929 -1.941 -9.739 1.00 10.00 C ATOM 1400 C GLY A 98 -0.276 -2.793 -8.656 1.00 10.00 C ATOM 1401 O GLY A 98 -0.810 -2.977 -7.560 1.00 10.00 O ATOM 0 H GLY A 98 -2.785 -1.059 -9.460 1.00 10.00 H new ATOM 0 HA2 GLY A 98 -0.616 -2.298 -10.720 1.00 10.00 H new ATOM 0 HA3 GLY A 98 -0.583 -0.911 -9.649 1.00 10.00 H new ATOM 1405 N THR A 99 0.934 -3.264 -8.950 1.00 10.00 N ATOM 1406 CA THR A 99 1.839 -3.762 -7.939 1.00 10.00 C ATOM 1407 C THR A 99 3.269 -3.436 -8.368 1.00 10.00 C ATOM 1408 O THR A 99 3.895 -4.160 -9.135 1.00 10.00 O ATOM 1409 CB THR A 99 1.546 -5.225 -7.561 1.00 10.00 C ATOM 1410 OG1 THR A 99 2.350 -5.630 -6.468 1.00 10.00 O ATOM 1411 CG2 THR A 99 1.691 -6.229 -8.708 1.00 10.00 C ATOM 0 H THR A 99 1.307 -3.307 -9.899 1.00 10.00 H new ATOM 0 HA THR A 99 1.684 -3.253 -6.987 1.00 10.00 H new ATOM 0 HB THR A 99 0.491 -5.236 -7.286 1.00 10.00 H new ATOM 0 HG1 THR A 99 2.601 -4.845 -5.938 1.00 10.00 H new ATOM 0 HG21 THR A 99 1.465 -7.231 -8.345 1.00 10.00 H new ATOM 0 HG22 THR A 99 0.999 -5.968 -9.509 1.00 10.00 H new ATOM 0 HG23 THR A 99 2.712 -6.203 -9.088 1.00 10.00 H new ATOM 1419 N LEU A 100 3.734 -2.265 -7.935 1.00 10.00 N ATOM 1420 CA LEU A 100 5.050 -1.744 -8.274 1.00 10.00 C ATOM 1421 C LEU A 100 6.105 -2.306 -7.321 1.00 10.00 C ATOM 1422 O LEU A 100 5.772 -2.772 -6.235 1.00 10.00 O ATOM 1423 CB LEU A 100 4.990 -0.212 -8.245 1.00 10.00 C ATOM 1424 CG LEU A 100 6.173 0.479 -8.934 1.00 10.00 C ATOM 1425 CD1 LEU A 100 6.343 -0.038 -10.368 1.00 10.00 C ATOM 1426 CD2 LEU A 100 5.916 1.988 -8.910 1.00 10.00 C ATOM 0 H LEU A 100 3.196 -1.645 -7.330 1.00 10.00 H new ATOM 0 HA LEU A 100 5.340 -2.057 -9.277 1.00 10.00 H new ATOM 0 HB2 LEU A 100 4.066 0.113 -8.723 1.00 10.00 H new ATOM 0 HB3 LEU A 100 4.945 0.119 -7.207 1.00 10.00 H new ATOM 0 HG LEU A 100 7.101 0.257 -8.407 1.00 10.00 H new ATOM 0 HD11 LEU A 100 7.188 0.465 -10.838 1.00 10.00 H new ATOM 0 HD12 LEU A 100 6.526 -1.112 -10.348 1.00 10.00 H new ATOM 0 HD13 LEU A 100 5.436 0.165 -10.938 1.00 10.00 H new ATOM 0 HD21 LEU A 100 6.744 2.506 -9.395 1.00 10.00 H new ATOM 0 HD22 LEU A 100 4.990 2.208 -9.441 1.00 10.00 H new ATOM 0 HD23 LEU A 100 5.831 2.326 -7.877 1.00 10.00 H new ATOM 1438 N THR A 101 7.376 -2.251 -7.716 1.00 10.00 N ATOM 1439 CA THR A 101 8.491 -2.872 -7.022 1.00 10.00 C ATOM 1440 C THR A 101 9.555 -1.796 -6.896 1.00 10.00 C ATOM 1441 O THR A 101 10.263 -1.507 -7.857 1.00 10.00 O ATOM 1442 CB THR A 101 8.977 -4.092 -7.817 1.00 10.00 C ATOM 1443 OG1 THR A 101 7.892 -4.977 -8.010 1.00 10.00 O ATOM 1444 CG2 THR A 101 10.097 -4.836 -7.083 1.00 10.00 C ATOM 0 H THR A 101 7.662 -1.754 -8.559 1.00 10.00 H new ATOM 0 HA THR A 101 8.220 -3.242 -6.033 1.00 10.00 H new ATOM 0 HB THR A 101 9.369 -3.740 -8.771 1.00 10.00 H new ATOM 0 HG1 THR A 101 8.194 -5.758 -8.519 1.00 10.00 H new ATOM 0 HG21 THR A 101 10.414 -5.693 -7.677 1.00 10.00 H new ATOM 0 HG22 THR A 101 10.943 -4.165 -6.934 1.00 10.00 H new ATOM 0 HG23 THR A 101 9.732 -5.180 -6.115 1.00 10.00 H new ATOM 1452 N LEU A 102 9.624 -1.178 -5.722 1.00 10.00 N ATOM 1453 CA LEU A 102 10.425 0.002 -5.502 1.00 10.00 C ATOM 1454 C LEU A 102 11.852 -0.471 -5.261 1.00 10.00 C ATOM 1455 O LEU A 102 12.072 -1.309 -4.386 1.00 10.00 O ATOM 1456 CB LEU A 102 9.872 0.800 -4.314 1.00 10.00 C ATOM 1457 CG LEU A 102 8.518 1.459 -4.639 1.00 10.00 C ATOM 1458 CD1 LEU A 102 7.319 0.532 -4.399 1.00 10.00 C ATOM 1459 CD2 LEU A 102 8.342 2.729 -3.801 1.00 10.00 C ATOM 0 H LEU A 102 9.118 -1.492 -4.894 1.00 10.00 H new ATOM 0 HA LEU A 102 10.401 0.672 -6.361 1.00 10.00 H new ATOM 0 HB2 LEU A 102 9.756 0.138 -3.456 1.00 10.00 H new ATOM 0 HB3 LEU A 102 10.590 1.569 -4.029 1.00 10.00 H new ATOM 0 HG LEU A 102 8.538 1.695 -5.703 1.00 10.00 H new ATOM 0 HD11 LEU A 102 6.397 1.058 -4.647 1.00 10.00 H new ATOM 0 HD12 LEU A 102 7.412 -0.354 -5.028 1.00 10.00 H new ATOM 0 HD13 LEU A 102 7.295 0.232 -3.351 1.00 10.00 H new ATOM 0 HD21 LEU A 102 7.383 3.190 -4.036 1.00 10.00 H new ATOM 0 HD22 LEU A 102 8.372 2.473 -2.742 1.00 10.00 H new ATOM 0 HD23 LEU A 102 9.146 3.429 -4.028 1.00 10.00 H new ATOM 1471 N GLN A 103 12.795 0.011 -6.072 1.00 10.00 N ATOM 1472 CA GLN A 103 14.168 -0.463 -6.128 1.00 10.00 C ATOM 1473 C GLN A 103 15.052 0.653 -6.671 1.00 10.00 C ATOM 1474 O GLN A 103 14.572 1.506 -7.412 1.00 10.00 O ATOM 1475 CB GLN A 103 14.236 -1.686 -7.047 1.00 10.00 C ATOM 1476 CG GLN A 103 14.002 -1.283 -8.511 1.00 10.00 C ATOM 1477 CD GLN A 103 13.573 -2.479 -9.334 1.00 10.00 C ATOM 1478 OE1 GLN A 103 14.398 -3.191 -9.896 1.00 10.00 O ATOM 1479 NE2 GLN A 103 12.272 -2.722 -9.394 1.00 10.00 N ATOM 0 H GLN A 103 12.611 0.769 -6.729 1.00 10.00 H new ATOM 0 HA GLN A 103 14.515 -0.744 -5.134 1.00 10.00 H new ATOM 0 HB2 GLN A 103 15.209 -2.167 -6.949 1.00 10.00 H new ATOM 0 HB3 GLN A 103 13.487 -2.417 -6.742 1.00 10.00 H new ATOM 0 HG2 GLN A 103 13.238 -0.507 -8.562 1.00 10.00 H new ATOM 0 HG3 GLN A 103 14.916 -0.858 -8.927 1.00 10.00 H new ATOM 0 HE21 GLN A 103 11.616 -2.107 -8.913 1.00 10.00 H new ATOM 0 HE22 GLN A 103 11.927 -3.524 -9.921 1.00 10.00 H new ATOM 1488 N ARG A 104 16.342 0.644 -6.335 1.00 10.00 N ATOM 1489 CA ARG A 104 17.259 1.739 -6.662 1.00 10.00 C ATOM 1490 C ARG A 104 17.545 1.780 -8.171 1.00 10.00 C ATOM 1491 O ARG A 104 18.624 1.392 -8.614 1.00 10.00 O ATOM 1492 CB ARG A 104 18.526 1.643 -5.794 1.00 10.00 C ATOM 1493 CG ARG A 104 19.340 2.943 -5.676 1.00 10.00 C ATOM 1494 CD ARG A 104 20.022 3.349 -6.989 1.00 10.00 C ATOM 1495 NE ARG A 104 21.007 4.423 -6.801 1.00 10.00 N ATOM 1496 CZ ARG A 104 21.739 4.939 -7.804 1.00 10.00 C ATOM 1497 NH1 ARG A 104 21.577 4.471 -9.048 1.00 10.00 N ATOM 1498 NH2 ARG A 104 22.622 5.914 -7.559 1.00 10.00 N ATOM 0 H ARG A 104 16.782 -0.123 -5.828 1.00 10.00 H new ATOM 0 HA ARG A 104 16.791 2.694 -6.424 1.00 10.00 H new ATOM 0 HB2 ARG A 104 18.238 1.322 -4.793 1.00 10.00 H new ATOM 0 HB3 ARG A 104 19.170 0.866 -6.205 1.00 10.00 H new ATOM 0 HG2 ARG A 104 18.681 3.749 -5.352 1.00 10.00 H new ATOM 0 HG3 ARG A 104 20.098 2.821 -4.903 1.00 10.00 H new ATOM 0 HD2 ARG A 104 20.515 2.479 -7.423 1.00 10.00 H new ATOM 0 HD3 ARG A 104 19.265 3.675 -7.703 1.00 10.00 H new ATOM 0 HE ARG A 104 21.142 4.796 -5.861 1.00 10.00 H new ATOM 0 HH11 ARG A 104 20.902 3.728 -9.230 1.00 10.00 H new ATOM 0 HH12 ARG A 104 22.129 4.857 -9.814 1.00 10.00 H new ATOM 0 HH21 ARG A 104 22.741 6.267 -6.610 1.00 10.00 H new ATOM 0 HH22 ARG A 104 23.176 6.304 -8.322 1.00 10.00 H new ATOM 1512 N ASP A 105 16.567 2.295 -8.919 1.00 10.00 N ATOM 1513 CA ASP A 105 16.449 2.437 -10.362 1.00 10.00 C ATOM 1514 C ASP A 105 14.944 2.501 -10.665 1.00 10.00 C ATOM 1515 O ASP A 105 14.351 3.577 -10.558 1.00 10.00 O ATOM 1516 CB ASP A 105 17.171 1.316 -11.126 1.00 10.00 C ATOM 1517 CG ASP A 105 16.779 1.317 -12.592 1.00 10.00 C ATOM 1518 OD1 ASP A 105 17.162 2.284 -13.282 1.00 10.00 O ATOM 1519 OD2 ASP A 105 16.045 0.377 -12.962 1.00 10.00 O ATOM 0 H ASP A 105 15.735 2.669 -8.462 1.00 10.00 H new ATOM 0 HA ASP A 105 16.944 3.345 -10.706 1.00 10.00 H new ATOM 0 HB2 ASP A 105 18.249 1.445 -11.034 1.00 10.00 H new ATOM 0 HB3 ASP A 105 16.926 0.352 -10.681 1.00 10.00 H new ATOM 1524 N GLY A 106 14.328 1.360 -10.990 1.00 10.00 N ATOM 1525 CA GLY A 106 12.984 1.222 -11.534 1.00 10.00 C ATOM 1526 C GLY A 106 11.881 1.588 -10.552 1.00 10.00 C ATOM 1527 O GLY A 106 11.152 0.720 -10.082 1.00 10.00 O ATOM 0 H GLY A 106 14.787 0.457 -10.871 1.00 10.00 H new ATOM 0 HA2 GLY A 106 12.894 1.853 -12.418 1.00 10.00 H new ATOM 0 HA3 GLY A 106 12.839 0.192 -11.861 1.00 10.00 H new ATOM 1531 N ASP A 107 11.760 2.897 -10.322 1.00 10.00 N ATOM 1532 CA ASP A 107 10.916 3.559 -9.343 1.00 10.00 C ATOM 1533 C ASP A 107 11.377 3.257 -7.925 1.00 10.00 C ATOM 1534 O ASP A 107 11.747 2.130 -7.609 1.00 10.00 O ATOM 1535 CB ASP A 107 9.420 3.304 -9.540 1.00 10.00 C ATOM 1536 CG ASP A 107 8.618 4.066 -8.497 1.00 10.00 C ATOM 1537 OD1 ASP A 107 8.468 3.531 -7.381 1.00 10.00 O ATOM 1538 OD2 ASP A 107 8.164 5.174 -8.842 1.00 10.00 O ATOM 0 H ASP A 107 12.298 3.572 -10.865 1.00 10.00 H new ATOM 0 HA ASP A 107 11.038 4.629 -9.511 1.00 10.00 H new ATOM 0 HB2 ASP A 107 9.119 3.615 -10.540 1.00 10.00 H new ATOM 0 HB3 ASP A 107 9.212 2.237 -9.462 1.00 10.00 H new ATOM 1543 N HIS A 108 11.444 4.292 -7.090 1.00 10.00 N ATOM 1544 CA HIS A 108 11.867 4.159 -5.713 1.00 10.00 C ATOM 1545 C HIS A 108 11.625 5.436 -4.915 1.00 10.00 C ATOM 1546 O HIS A 108 11.356 6.505 -5.468 1.00 10.00 O ATOM 1547 CB HIS A 108 13.357 3.802 -5.646 1.00 10.00 C ATOM 1548 CG HIS A 108 14.254 4.636 -6.540 1.00 10.00 C ATOM 1549 ND1 HIS A 108 14.328 4.628 -7.921 1.00 10.00 N ATOM 1550 CD2 HIS A 108 15.176 5.541 -6.092 1.00 10.00 C ATOM 1551 CE1 HIS A 108 15.291 5.490 -8.278 1.00 10.00 C ATOM 1552 NE2 HIS A 108 15.823 6.103 -7.202 1.00 10.00 N ATOM 0 H HIS A 108 11.204 5.246 -7.358 1.00 10.00 H new ATOM 0 HA HIS A 108 11.270 3.361 -5.272 1.00 10.00 H new ATOM 0 HB2 HIS A 108 13.695 3.909 -4.615 1.00 10.00 H new ATOM 0 HB3 HIS A 108 13.477 2.752 -5.914 1.00 10.00 H new ATOM 0 HD1 HIS A 108 13.755 4.069 -8.553 1.00 10.00 H new ATOM 0 HD2 HIS A 108 15.373 5.782 -5.058 1.00 10.00 H new ATOM 0 HE1 HIS A 108 15.601 5.670 -9.297 1.00 10.00 H new ATOM 1560 N VAL A 109 11.823 5.317 -3.600 1.00 10.00 N ATOM 1561 CA VAL A 109 11.905 6.437 -2.690 1.00 10.00 C ATOM 1562 C VAL A 109 13.393 6.649 -2.473 1.00 10.00 C ATOM 1563 O VAL A 109 14.038 5.747 -1.940 1.00 10.00 O ATOM 1564 CB VAL A 109 11.214 6.091 -1.357 1.00 10.00 C ATOM 1565 CG1 VAL A 109 11.069 7.352 -0.501 1.00 10.00 C ATOM 1566 CG2 VAL A 109 9.849 5.414 -1.538 1.00 10.00 C ATOM 0 H VAL A 109 11.932 4.414 -3.138 1.00 10.00 H new ATOM 0 HA VAL A 109 11.413 7.327 -3.082 1.00 10.00 H new ATOM 0 HB VAL A 109 11.853 5.367 -0.851 1.00 10.00 H new ATOM 0 HG11 VAL A 109 10.580 7.099 0.440 1.00 10.00 H new ATOM 0 HG12 VAL A 109 12.055 7.768 -0.296 1.00 10.00 H new ATOM 0 HG13 VAL A 109 10.469 8.088 -1.036 1.00 10.00 H new ATOM 0 HG21 VAL A 109 9.418 5.198 -0.561 1.00 10.00 H new ATOM 0 HG22 VAL A 109 9.184 6.078 -2.089 1.00 10.00 H new ATOM 0 HG23 VAL A 109 9.975 4.484 -2.093 1.00 10.00 H new ATOM 1576 N MET A 110 13.945 7.798 -2.867 1.00 10.00 N ATOM 1577 CA MET A 110 15.254 8.171 -2.373 1.00 10.00 C ATOM 1578 C MET A 110 15.075 8.810 -1.014 1.00 10.00 C ATOM 1579 O MET A 110 14.119 9.533 -0.747 1.00 10.00 O ATOM 1580 CB MET A 110 16.020 9.143 -3.262 1.00 10.00 C ATOM 1581 CG MET A 110 16.190 8.568 -4.657 1.00 10.00 C ATOM 1582 SD MET A 110 17.274 9.504 -5.750 1.00 10.00 S ATOM 1583 CE MET A 110 16.505 11.136 -5.660 1.00 10.00 C ATOM 0 H MET A 110 13.514 8.464 -3.509 1.00 10.00 H new ATOM 0 HA MET A 110 15.846 7.256 -2.343 1.00 10.00 H new ATOM 0 HB2 MET A 110 15.487 10.092 -3.316 1.00 10.00 H new ATOM 0 HB3 MET A 110 16.997 9.350 -2.826 1.00 10.00 H new ATOM 0 HG2 MET A 110 16.579 7.553 -4.569 1.00 10.00 H new ATOM 0 HG3 MET A 110 15.208 8.494 -5.123 1.00 10.00 H new ATOM 0 HE1 MET A 110 17.017 11.817 -6.340 1.00 10.00 H new ATOM 0 HE2 MET A 110 15.456 11.060 -5.944 1.00 10.00 H new ATOM 0 HE3 MET A 110 16.578 11.517 -4.641 1.00 10.00 H new ATOM 1593 N LEU A 111 16.059 8.520 -0.190 1.00 10.00 N ATOM 1594 CA LEU A 111 16.293 9.037 1.133 1.00 10.00 C ATOM 1595 C LEU A 111 17.662 9.711 1.062 1.00 10.00 C ATOM 1596 O LEU A 111 18.672 9.120 1.443 1.00 10.00 O ATOM 1597 CB LEU A 111 16.254 7.854 2.110 1.00 10.00 C ATOM 1598 CG LEU A 111 14.910 7.101 2.111 1.00 10.00 C ATOM 1599 CD1 LEU A 111 14.975 5.977 3.148 1.00 10.00 C ATOM 1600 CD2 LEU A 111 13.720 8.017 2.421 1.00 10.00 C ATOM 0 H LEU A 111 16.781 7.852 -0.460 1.00 10.00 H new ATOM 0 HA LEU A 111 15.552 9.758 1.477 1.00 10.00 H new ATOM 0 HB2 LEU A 111 17.052 7.156 1.855 1.00 10.00 H new ATOM 0 HB3 LEU A 111 16.458 8.218 3.117 1.00 10.00 H new ATOM 0 HG LEU A 111 14.752 6.700 1.110 1.00 10.00 H new ATOM 0 HD11 LEU A 111 14.029 5.436 3.158 1.00 10.00 H new ATOM 0 HD12 LEU A 111 15.782 5.291 2.891 1.00 10.00 H new ATOM 0 HD13 LEU A 111 15.161 6.402 4.134 1.00 10.00 H new ATOM 0 HD21 LEU A 111 12.799 7.434 2.409 1.00 10.00 H new ATOM 0 HD22 LEU A 111 13.853 8.465 3.406 1.00 10.00 H new ATOM 0 HD23 LEU A 111 13.661 8.804 1.669 1.00 10.00 H new ATOM 1612 N MET A 112 17.707 10.926 0.507 1.00 10.00 N ATOM 1613 CA MET A 112 18.952 11.665 0.375 1.00 10.00 C ATOM 1614 C MET A 112 19.244 12.397 1.685 1.00 10.00 C ATOM 1615 O MET A 112 18.336 12.717 2.461 1.00 10.00 O ATOM 1616 CB MET A 112 18.886 12.626 -0.823 1.00 10.00 C ATOM 1617 CG MET A 112 19.244 11.934 -2.137 1.00 10.00 C ATOM 1618 SD MET A 112 19.033 12.957 -3.613 1.00 10.00 S ATOM 1619 CE MET A 112 20.039 12.004 -4.771 1.00 10.00 C ATOM 0 H MET A 112 16.889 11.414 0.143 1.00 10.00 H new ATOM 0 HA MET A 112 19.773 10.975 0.180 1.00 10.00 H new ATOM 0 HB2 MET A 112 17.882 13.044 -0.896 1.00 10.00 H new ATOM 0 HB3 MET A 112 19.568 13.460 -0.656 1.00 10.00 H new ATOM 0 HG2 MET A 112 20.281 11.603 -2.086 1.00 10.00 H new ATOM 0 HG3 MET A 112 18.629 11.040 -2.240 1.00 10.00 H new ATOM 0 HE1 MET A 112 19.985 12.459 -5.760 1.00 10.00 H new ATOM 0 HE2 MET A 112 21.075 11.996 -4.432 1.00 10.00 H new ATOM 0 HE3 MET A 112 19.666 10.981 -4.821 1.00 10.00 H new ATOM 1629 N GLY A 113 20.523 12.670 1.931 1.00 10.00 N ATOM 1630 CA GLY A 113 20.969 13.413 3.094 1.00 10.00 C ATOM 1631 C GLY A 113 20.627 12.655 4.372 1.00 10.00 C ATOM 1632 O GLY A 113 19.956 13.194 5.254 1.00 10.00 O ATOM 0 H GLY A 113 21.283 12.376 1.318 1.00 10.00 H new ATOM 0 HA2 GLY A 113 22.045 13.577 3.038 1.00 10.00 H new ATOM 0 HA3 GLY A 113 20.497 14.395 3.109 1.00 10.00 H new ATOM 1636 N LEU A 114 21.062 11.397 4.467 1.00 10.00 N ATOM 1637 CA LEU A 114 20.824 10.564 5.634 1.00 10.00 C ATOM 1638 C LEU A 114 21.476 11.205 6.862 1.00 10.00 C ATOM 1639 O LEU A 114 22.554 11.793 6.763 1.00 10.00 O ATOM 1640 CB LEU A 114 21.345 9.143 5.378 1.00 10.00 C ATOM 1641 CG LEU A 114 20.607 8.070 6.192 1.00 10.00 C ATOM 1642 CD1 LEU A 114 19.217 7.804 5.598 1.00 10.00 C ATOM 1643 CD2 LEU A 114 21.418 6.770 6.163 1.00 10.00 C ATOM 0 H LEU A 114 21.591 10.931 3.730 1.00 10.00 H new ATOM 0 HA LEU A 114 19.754 10.488 5.827 1.00 10.00 H new ATOM 0 HB2 LEU A 114 21.249 8.914 4.317 1.00 10.00 H new ATOM 0 HB3 LEU A 114 22.408 9.104 5.618 1.00 10.00 H new ATOM 0 HG LEU A 114 20.493 8.424 7.217 1.00 10.00 H new ATOM 0 HD11 LEU A 114 18.709 7.041 6.188 1.00 10.00 H new ATOM 0 HD12 LEU A 114 18.632 8.724 5.614 1.00 10.00 H new ATOM 0 HD13 LEU A 114 19.321 7.458 4.570 1.00 10.00 H new ATOM 0 HD21 LEU A 114 20.899 6.004 6.739 1.00 10.00 H new ATOM 0 HD22 LEU A 114 21.530 6.434 5.132 1.00 10.00 H new ATOM 0 HD23 LEU A 114 22.402 6.946 6.597 1.00 10.00 H new ATOM 1655 N LYS A 115 20.805 11.125 8.010 1.00 10.00 N ATOM 1656 CA LYS A 115 21.126 11.869 9.216 1.00 10.00 C ATOM 1657 C LYS A 115 21.799 10.938 10.225 1.00 10.00 C ATOM 1658 O LYS A 115 22.980 11.120 10.533 1.00 10.00 O ATOM 1659 CB LYS A 115 19.841 12.519 9.758 1.00 10.00 C ATOM 1660 CG LYS A 115 19.295 13.543 8.746 1.00 10.00 C ATOM 1661 CD LYS A 115 17.798 13.838 8.911 1.00 10.00 C ATOM 1662 CE LYS A 115 17.402 14.420 10.270 1.00 10.00 C ATOM 1663 NZ LYS A 115 17.999 15.753 10.491 1.00 10.00 N ATOM 0 H LYS A 115 19.994 10.517 8.125 1.00 10.00 H new ATOM 0 HA LYS A 115 21.833 12.671 9.007 1.00 10.00 H new ATOM 0 HB2 LYS A 115 19.091 11.752 9.951 1.00 10.00 H new ATOM 0 HB3 LYS A 115 20.047 13.011 10.709 1.00 10.00 H new ATOM 0 HG2 LYS A 115 19.853 14.474 8.848 1.00 10.00 H new ATOM 0 HG3 LYS A 115 19.474 13.173 7.736 1.00 10.00 H new ATOM 0 HD2 LYS A 115 17.492 14.535 8.131 1.00 10.00 H new ATOM 0 HD3 LYS A 115 17.241 12.915 8.751 1.00 10.00 H new ATOM 0 HE2 LYS A 115 16.316 14.493 10.332 1.00 10.00 H new ATOM 0 HE3 LYS A 115 17.721 13.743 11.062 1.00 10.00 H new ATOM 0 HZ1 LYS A 115 17.708 16.114 11.422 1.00 10.00 H new ATOM 0 HZ2 LYS A 115 19.036 15.679 10.457 1.00 10.00 H new ATOM 0 HZ3 LYS A 115 17.674 16.406 9.749 1.00 10.00 H new ATOM 1677 N ARG A 116 21.069 9.931 10.718 1.00 10.00 N ATOM 1678 CA ARG A 116 21.586 9.026 11.743 1.00 10.00 C ATOM 1679 C ARG A 116 22.847 8.303 11.250 1.00 10.00 C ATOM 1680 O ARG A 116 22.977 8.040 10.054 1.00 10.00 O ATOM 1681 CB ARG A 116 20.542 7.966 12.139 1.00 10.00 C ATOM 1682 CG ARG A 116 19.315 8.532 12.865 1.00 10.00 C ATOM 1683 CD ARG A 116 18.416 7.385 13.360 1.00 10.00 C ATOM 1684 NE ARG A 116 17.156 7.898 13.922 1.00 10.00 N ATOM 1685 CZ ARG A 116 16.248 7.167 14.593 1.00 10.00 C ATOM 1686 NH1 ARG A 116 16.358 5.839 14.679 1.00 10.00 N ATOM 1687 NH2 ARG A 116 15.222 7.781 15.192 1.00 10.00 N ATOM 0 H ARG A 116 20.115 9.724 10.420 1.00 10.00 H new ATOM 0 HA ARG A 116 21.825 9.640 12.612 1.00 10.00 H new ATOM 0 HB2 ARG A 116 20.210 7.446 11.241 1.00 10.00 H new ATOM 0 HB3 ARG A 116 21.019 7.224 12.779 1.00 10.00 H new ATOM 0 HG2 ARG A 116 19.633 9.145 13.708 1.00 10.00 H new ATOM 0 HG3 ARG A 116 18.753 9.181 12.193 1.00 10.00 H new ATOM 0 HD2 ARG A 116 18.199 6.708 12.534 1.00 10.00 H new ATOM 0 HD3 ARG A 116 18.945 6.806 14.117 1.00 10.00 H new ATOM 0 HE ARG A 116 16.955 8.889 13.792 1.00 10.00 H new ATOM 0 HH11 ARG A 116 17.141 5.362 14.231 1.00 10.00 H new ATOM 0 HH12 ARG A 116 15.659 5.302 15.192 1.00 10.00 H new ATOM 0 HH21 ARG A 116 15.133 8.796 15.138 1.00 10.00 H new ATOM 0 HH22 ARG A 116 14.529 7.235 15.703 1.00 10.00 H new ATOM 1701 N PRO A 117 23.773 7.938 12.151 1.00 10.00 N ATOM 1702 CA PRO A 117 24.745 6.900 11.864 1.00 10.00 C ATOM 1703 C PRO A 117 23.975 5.582 11.732 1.00 10.00 C ATOM 1704 O PRO A 117 23.528 5.023 12.732 1.00 10.00 O ATOM 1705 CB PRO A 117 25.711 6.909 13.051 1.00 10.00 C ATOM 1706 CG PRO A 117 24.847 7.397 14.216 1.00 10.00 C ATOM 1707 CD PRO A 117 23.832 8.331 13.552 1.00 10.00 C ATOM 0 HA PRO A 117 25.308 7.044 10.942 1.00 10.00 H new ATOM 0 HB2 PRO A 117 26.119 5.917 13.243 1.00 10.00 H new ATOM 0 HB3 PRO A 117 26.557 7.573 12.874 1.00 10.00 H new ATOM 0 HG2 PRO A 117 24.355 6.568 14.724 1.00 10.00 H new ATOM 0 HG3 PRO A 117 25.443 7.920 14.964 1.00 10.00 H new ATOM 0 HD2 PRO A 117 22.853 8.240 14.023 1.00 10.00 H new ATOM 0 HD3 PRO A 117 24.138 9.372 13.651 1.00 10.00 H new ATOM 1715 N LEU A 118 23.769 5.128 10.493 1.00 10.00 N ATOM 1716 CA LEU A 118 22.963 3.958 10.188 1.00 10.00 C ATOM 1717 C LEU A 118 23.413 2.709 10.943 1.00 10.00 C ATOM 1718 O LEU A 118 24.551 2.619 11.406 1.00 10.00 O ATOM 1719 CB LEU A 118 22.918 3.730 8.669 1.00 10.00 C ATOM 1720 CG LEU A 118 24.204 3.249 7.964 1.00 10.00 C ATOM 1721 CD1 LEU A 118 25.433 4.137 8.194 1.00 10.00 C ATOM 1722 CD2 LEU A 118 24.556 1.775 8.211 1.00 10.00 C ATOM 0 H LEU A 118 24.166 5.574 9.666 1.00 10.00 H new ATOM 0 HA LEU A 118 21.950 4.157 10.539 1.00 10.00 H new ATOM 0 HB2 LEU A 118 22.134 3.001 8.465 1.00 10.00 H new ATOM 0 HB3 LEU A 118 22.612 4.666 8.201 1.00 10.00 H new ATOM 0 HG LEU A 118 23.934 3.344 6.912 1.00 10.00 H new ATOM 0 HD11 LEU A 118 26.288 3.721 7.661 1.00 10.00 H new ATOM 0 HD12 LEU A 118 25.230 5.142 7.825 1.00 10.00 H new ATOM 0 HD13 LEU A 118 25.656 4.180 9.260 1.00 10.00 H new ATOM 0 HD21 LEU A 118 25.473 1.526 7.677 1.00 10.00 H new ATOM 0 HD22 LEU A 118 24.701 1.609 9.279 1.00 10.00 H new ATOM 0 HD23 LEU A 118 23.744 1.142 7.853 1.00 10.00 H new ATOM 1734 N LYS A 119 22.515 1.726 11.025 1.00 10.00 N ATOM 1735 CA LYS A 119 22.784 0.400 11.547 1.00 10.00 C ATOM 1736 C LYS A 119 22.193 -0.601 10.560 1.00 10.00 C ATOM 1737 O LYS A 119 21.029 -0.483 10.188 1.00 10.00 O ATOM 1738 CB LYS A 119 22.143 0.243 12.939 1.00 10.00 C ATOM 1739 CG LYS A 119 23.153 0.019 14.072 1.00 10.00 C ATOM 1740 CD LYS A 119 24.100 1.214 14.240 1.00 10.00 C ATOM 1741 CE LYS A 119 24.910 1.090 15.537 1.00 10.00 C ATOM 1742 NZ LYS A 119 25.860 2.211 15.689 1.00 10.00 N ATOM 0 H LYS A 119 21.550 1.843 10.717 1.00 10.00 H new ATOM 0 HA LYS A 119 23.855 0.231 11.659 1.00 10.00 H new ATOM 0 HB2 LYS A 119 21.557 1.135 13.160 1.00 10.00 H new ATOM 0 HB3 LYS A 119 21.448 -0.597 12.915 1.00 10.00 H new ATOM 0 HG2 LYS A 119 22.618 -0.154 15.006 1.00 10.00 H new ATOM 0 HG3 LYS A 119 23.735 -0.879 13.867 1.00 10.00 H new ATOM 0 HD2 LYS A 119 24.777 1.270 13.387 1.00 10.00 H new ATOM 0 HD3 LYS A 119 23.525 2.140 14.252 1.00 10.00 H new ATOM 0 HE2 LYS A 119 24.232 1.067 16.390 1.00 10.00 H new ATOM 0 HE3 LYS A 119 25.455 0.146 15.538 1.00 10.00 H new ATOM 0 HZ1 LYS A 119 26.392 2.097 16.575 1.00 10.00 H new ATOM 0 HZ2 LYS A 119 26.522 2.217 14.887 1.00 10.00 H new ATOM 0 HZ3 LYS A 119 25.336 3.109 15.712 1.00 10.00 H new ATOM 1756 N VAL A 120 22.995 -1.583 10.149 1.00 10.00 N ATOM 1757 CA VAL A 120 22.518 -2.753 9.433 1.00 10.00 C ATOM 1758 C VAL A 120 21.628 -3.529 10.408 1.00 10.00 C ATOM 1759 O VAL A 120 22.133 -4.289 11.231 1.00 10.00 O ATOM 1760 CB VAL A 120 23.714 -3.581 8.924 1.00 10.00 C ATOM 1761 CG1 VAL A 120 23.243 -4.827 8.160 1.00 10.00 C ATOM 1762 CG2 VAL A 120 24.596 -2.742 7.988 1.00 10.00 C ATOM 0 H VAL A 120 24.003 -1.583 10.308 1.00 10.00 H new ATOM 0 HA VAL A 120 21.939 -2.489 8.548 1.00 10.00 H new ATOM 0 HB VAL A 120 24.287 -3.888 9.799 1.00 10.00 H new ATOM 0 HG11 VAL A 120 24.109 -5.390 7.814 1.00 10.00 H new ATOM 0 HG12 VAL A 120 22.643 -5.453 8.820 1.00 10.00 H new ATOM 0 HG13 VAL A 120 22.642 -4.523 7.303 1.00 10.00 H new ATOM 0 HG21 VAL A 120 25.434 -3.345 7.640 1.00 10.00 H new ATOM 0 HG22 VAL A 120 24.007 -2.412 7.132 1.00 10.00 H new ATOM 0 HG23 VAL A 120 24.973 -1.873 8.526 1.00 10.00 H new ATOM 1772 N GLY A 121 20.318 -3.283 10.357 1.00 10.00 N ATOM 1773 CA GLY A 121 19.343 -3.808 11.296 1.00 10.00 C ATOM 1774 C GLY A 121 18.706 -2.702 12.137 1.00 10.00 C ATOM 1775 O GLY A 121 18.063 -3.010 13.138 1.00 10.00 O ATOM 0 H GLY A 121 19.900 -2.694 9.637 1.00 10.00 H new ATOM 0 HA2 GLY A 121 18.565 -4.342 10.750 1.00 10.00 H new ATOM 0 HA3 GLY A 121 19.825 -4.531 11.953 1.00 10.00 H new ATOM 1779 N GLU A 122 18.836 -1.428 11.740 1.00 10.00 N ATOM 1780 CA GLU A 122 17.923 -0.411 12.211 1.00 10.00 C ATOM 1781 C GLU A 122 16.561 -0.684 11.588 1.00 10.00 C ATOM 1782 O GLU A 122 16.405 -1.451 10.633 1.00 10.00 O ATOM 1783 CB GLU A 122 18.410 0.993 11.825 1.00 10.00 C ATOM 1784 CG GLU A 122 18.767 1.918 12.995 1.00 10.00 C ATOM 1785 CD GLU A 122 17.597 2.808 13.369 1.00 10.00 C ATOM 1786 OE1 GLU A 122 16.479 2.258 13.466 1.00 10.00 O ATOM 1787 OE2 GLU A 122 17.830 4.031 13.511 1.00 10.00 O ATOM 0 H GLU A 122 19.558 -1.094 11.102 1.00 10.00 H new ATOM 0 HA GLU A 122 17.863 -0.446 13.299 1.00 10.00 H new ATOM 0 HB2 GLU A 122 19.287 0.890 11.186 1.00 10.00 H new ATOM 0 HB3 GLU A 122 17.636 1.475 11.228 1.00 10.00 H new ATOM 0 HG2 GLU A 122 19.062 1.320 13.857 1.00 10.00 H new ATOM 0 HG3 GLU A 122 19.625 2.535 12.726 1.00 10.00 H new ATOM 1794 N THR A 123 15.606 0.029 12.147 1.00 10.00 N ATOM 1795 CA THR A 123 14.176 -0.225 12.031 1.00 10.00 C ATOM 1796 C THR A 123 13.447 1.092 12.262 1.00 10.00 C ATOM 1797 O THR A 123 12.910 1.349 13.340 1.00 10.00 O ATOM 1798 CB THR A 123 13.746 -1.313 13.032 1.00 10.00 C ATOM 1799 OG1 THR A 123 14.554 -2.462 12.871 1.00 10.00 O ATOM 1800 CG2 THR A 123 12.288 -1.737 12.811 1.00 10.00 C ATOM 0 H THR A 123 15.811 0.844 12.725 1.00 10.00 H new ATOM 0 HA THR A 123 13.924 -0.599 11.039 1.00 10.00 H new ATOM 0 HB THR A 123 13.855 -0.892 14.031 1.00 10.00 H new ATOM 0 HG1 THR A 123 14.276 -3.150 13.512 1.00 10.00 H new ATOM 0 HG21 THR A 123 12.019 -2.506 13.535 1.00 10.00 H new ATOM 0 HG22 THR A 123 11.635 -0.874 12.939 1.00 10.00 H new ATOM 0 HG23 THR A 123 12.173 -2.133 11.802 1.00 10.00 H new ATOM 1808 N VAL A 124 13.448 1.946 11.243 1.00 10.00 N ATOM 1809 CA VAL A 124 13.002 3.318 11.382 1.00 10.00 C ATOM 1810 C VAL A 124 11.522 3.393 11.020 1.00 10.00 C ATOM 1811 O VAL A 124 11.128 2.960 9.941 1.00 10.00 O ATOM 1812 CB VAL A 124 13.878 4.219 10.504 1.00 10.00 C ATOM 1813 CG1 VAL A 124 13.442 5.680 10.642 1.00 10.00 C ATOM 1814 CG2 VAL A 124 15.350 4.088 10.921 1.00 10.00 C ATOM 0 H VAL A 124 13.758 1.702 10.302 1.00 10.00 H new ATOM 0 HA VAL A 124 13.105 3.669 12.409 1.00 10.00 H new ATOM 0 HB VAL A 124 13.764 3.907 9.466 1.00 10.00 H new ATOM 0 HG11 VAL A 124 14.072 6.309 10.013 1.00 10.00 H new ATOM 0 HG12 VAL A 124 12.403 5.781 10.330 1.00 10.00 H new ATOM 0 HG13 VAL A 124 13.540 5.992 11.682 1.00 10.00 H new ATOM 0 HG21 VAL A 124 15.965 4.732 10.292 1.00 10.00 H new ATOM 0 HG22 VAL A 124 15.461 4.387 11.963 1.00 10.00 H new ATOM 0 HG23 VAL A 124 15.671 3.053 10.804 1.00 10.00 H new ATOM 1824 N ASN A 125 10.694 3.949 11.906 1.00 10.00 N ATOM 1825 CA ASN A 125 9.296 4.212 11.592 1.00 10.00 C ATOM 1826 C ASN A 125 9.232 5.428 10.671 1.00 10.00 C ATOM 1827 O ASN A 125 9.750 6.486 11.026 1.00 10.00 O ATOM 1828 CB ASN A 125 8.484 4.450 12.870 1.00 10.00 C ATOM 1829 CG ASN A 125 8.255 3.151 13.635 1.00 10.00 C ATOM 1830 OD1 ASN A 125 7.340 2.398 13.323 1.00 10.00 O ATOM 1831 ND2 ASN A 125 9.078 2.868 14.642 1.00 10.00 N ATOM 0 H ASN A 125 10.972 4.225 12.848 1.00 10.00 H new ATOM 0 HA ASN A 125 8.861 3.347 11.092 1.00 10.00 H new ATOM 0 HB2 ASN A 125 9.008 5.162 13.508 1.00 10.00 H new ATOM 0 HB3 ASN A 125 7.523 4.897 12.614 1.00 10.00 H new ATOM 0 HD21 ASN A 125 8.955 2.007 15.175 1.00 10.00 H new ATOM 0 HD22 ASN A 125 9.832 3.512 14.881 1.00 10.00 H new ATOM 1838 N ILE A 126 8.621 5.278 9.495 1.00 10.00 N ATOM 1839 CA ILE A 126 8.449 6.332 8.506 1.00 10.00 C ATOM 1840 C ILE A 126 6.962 6.620 8.360 1.00 10.00 C ATOM 1841 O ILE A 126 6.179 5.678 8.256 1.00 10.00 O ATOM 1842 CB ILE A 126 9.111 5.943 7.171 1.00 10.00 C ATOM 1843 CG1 ILE A 126 8.369 4.918 6.301 1.00 10.00 C ATOM 1844 CG2 ILE A 126 10.530 5.442 7.461 1.00 10.00 C ATOM 1845 CD1 ILE A 126 9.074 4.743 4.954 1.00 10.00 C ATOM 0 H ILE A 126 8.220 4.388 9.199 1.00 10.00 H new ATOM 0 HA ILE A 126 8.946 7.245 8.834 1.00 10.00 H new ATOM 0 HB ILE A 126 9.095 6.853 6.571 1.00 10.00 H new ATOM 0 HG12 ILE A 126 8.321 3.960 6.819 1.00 10.00 H new ATOM 0 HG13 ILE A 126 7.342 5.245 6.140 1.00 10.00 H new ATOM 0 HG21 ILE A 126 11.015 5.162 6.526 1.00 10.00 H new ATOM 0 HG22 ILE A 126 11.103 6.233 7.944 1.00 10.00 H new ATOM 0 HG23 ILE A 126 10.482 4.575 8.119 1.00 10.00 H new ATOM 0 HD11 ILE A 126 8.533 4.013 4.352 1.00 10.00 H new ATOM 0 HD12 ILE A 126 9.099 5.698 4.430 1.00 10.00 H new ATOM 0 HD13 ILE A 126 10.093 4.393 5.119 1.00 10.00 H new ATOM 1857 N THR A 127 6.558 7.893 8.361 1.00 10.00 N ATOM 1858 CA THR A 127 5.167 8.236 8.111 1.00 10.00 C ATOM 1859 C THR A 127 4.972 8.467 6.618 1.00 10.00 C ATOM 1860 O THR A 127 5.659 9.288 6.015 1.00 10.00 O ATOM 1861 CB THR A 127 4.721 9.445 8.940 1.00 10.00 C ATOM 1862 OG1 THR A 127 5.241 9.356 10.250 1.00 10.00 O ATOM 1863 CG2 THR A 127 3.188 9.483 9.017 1.00 10.00 C ATOM 0 H THR A 127 7.171 8.691 8.531 1.00 10.00 H new ATOM 0 HA THR A 127 4.534 7.406 8.426 1.00 10.00 H new ATOM 0 HB THR A 127 5.093 10.351 8.462 1.00 10.00 H new ATOM 0 HG1 THR A 127 4.951 10.134 10.770 1.00 10.00 H new ATOM 0 HG21 THR A 127 2.875 10.344 9.607 1.00 10.00 H new ATOM 0 HG22 THR A 127 2.775 9.563 8.011 1.00 10.00 H new ATOM 0 HG23 THR A 127 2.825 8.569 9.487 1.00 10.00 H new ATOM 1871 N LEU A 128 4.019 7.769 6.014 1.00 10.00 N ATOM 1872 CA LEU A 128 3.641 8.006 4.637 1.00 10.00 C ATOM 1873 C LEU A 128 2.685 9.193 4.589 1.00 10.00 C ATOM 1874 O LEU A 128 2.223 9.649 5.632 1.00 10.00 O ATOM 1875 CB LEU A 128 2.887 6.792 4.110 1.00 10.00 C ATOM 1876 CG LEU A 128 3.598 5.442 4.225 1.00 10.00 C ATOM 1877 CD1 LEU A 128 2.752 4.486 3.384 1.00 10.00 C ATOM 1878 CD2 LEU A 128 5.039 5.475 3.701 1.00 10.00 C ATOM 0 H LEU A 128 3.490 7.025 6.469 1.00 10.00 H new ATOM 0 HA LEU A 128 4.534 8.195 4.042 1.00 10.00 H new ATOM 0 HB2 LEU A 128 1.938 6.724 4.641 1.00 10.00 H new ATOM 0 HB3 LEU A 128 2.653 6.966 3.060 1.00 10.00 H new ATOM 0 HG LEU A 128 3.683 5.141 5.269 1.00 10.00 H new ATOM 0 HD11 LEU A 128 3.193 3.490 3.412 1.00 10.00 H new ATOM 0 HD12 LEU A 128 1.740 4.446 3.786 1.00 10.00 H new ATOM 0 HD13 LEU A 128 2.719 4.840 2.354 1.00 10.00 H new ATOM 0 HD21 LEU A 128 5.489 4.488 3.810 1.00 10.00 H new ATOM 0 HD22 LEU A 128 5.037 5.758 2.648 1.00 10.00 H new ATOM 0 HD23 LEU A 128 5.617 6.202 4.271 1.00 10.00 H new ATOM 1890 N LYS A 129 2.341 9.650 3.383 1.00 10.00 N ATOM 1891 CA LYS A 129 1.220 10.541 3.131 1.00 10.00 C ATOM 1892 C LYS A 129 0.742 10.311 1.700 1.00 10.00 C ATOM 1893 O LYS A 129 1.346 10.793 0.749 1.00 10.00 O ATOM 1894 CB LYS A 129 1.575 12.020 3.378 1.00 10.00 C ATOM 1895 CG LYS A 129 1.668 12.331 4.876 1.00 10.00 C ATOM 1896 CD LYS A 129 1.622 13.826 5.208 1.00 10.00 C ATOM 1897 CE LYS A 129 1.184 14.071 6.664 1.00 10.00 C ATOM 1898 NZ LYS A 129 1.725 13.079 7.622 1.00 10.00 N ATOM 0 H LYS A 129 2.852 9.400 2.536 1.00 10.00 H new ATOM 0 HA LYS A 129 0.419 10.313 3.834 1.00 10.00 H new ATOM 0 HB2 LYS A 129 2.525 12.253 2.897 1.00 10.00 H new ATOM 0 HB3 LYS A 129 0.820 12.658 2.919 1.00 10.00 H new ATOM 0 HG2 LYS A 129 0.849 11.830 5.392 1.00 10.00 H new ATOM 0 HG3 LYS A 129 2.595 11.911 5.267 1.00 10.00 H new ATOM 0 HD2 LYS A 129 2.606 14.266 5.045 1.00 10.00 H new ATOM 0 HD3 LYS A 129 0.932 14.329 4.530 1.00 10.00 H new ATOM 0 HE2 LYS A 129 1.503 15.068 6.968 1.00 10.00 H new ATOM 0 HE3 LYS A 129 0.095 14.056 6.714 1.00 10.00 H new ATOM 0 HZ1 LYS A 129 1.565 13.412 8.594 1.00 10.00 H new ATOM 0 HZ2 LYS A 129 1.245 12.167 7.485 1.00 10.00 H new ATOM 0 HZ3 LYS A 129 2.746 12.961 7.460 1.00 10.00 H new ATOM 1912 N ALA A 130 -0.353 9.577 1.529 1.00 10.00 N ATOM 1913 CA ALA A 130 -1.079 9.628 0.268 1.00 10.00 C ATOM 1914 C ALA A 130 -2.004 10.842 0.291 1.00 10.00 C ATOM 1915 O ALA A 130 -2.529 11.194 1.349 1.00 10.00 O ATOM 1916 CB ALA A 130 -1.894 8.353 0.075 1.00 10.00 C ATOM 0 H ALA A 130 -0.749 8.953 2.232 1.00 10.00 H new ATOM 0 HA ALA A 130 -0.375 9.711 -0.560 1.00 10.00 H new ATOM 0 HB1 ALA A 130 -2.432 8.405 -0.872 1.00 10.00 H new ATOM 0 HB2 ALA A 130 -1.226 7.492 0.066 1.00 10.00 H new ATOM 0 HB3 ALA A 130 -2.608 8.250 0.892 1.00 10.00 H new ATOM 1922 N THR A 131 -2.253 11.431 -0.885 1.00 10.00 N ATOM 1923 CA THR A 131 -3.293 12.444 -1.097 1.00 10.00 C ATOM 1924 C THR A 131 -4.585 12.079 -0.372 1.00 10.00 C ATOM 1925 O THR A 131 -5.302 12.928 0.147 1.00 10.00 O ATOM 1926 CB THR A 131 -3.576 12.583 -2.601 1.00 10.00 C ATOM 1927 OG1 THR A 131 -3.799 11.320 -3.214 1.00 10.00 O ATOM 1928 CG2 THR A 131 -2.405 13.258 -3.321 1.00 10.00 C ATOM 0 H THR A 131 -1.727 11.212 -1.731 1.00 10.00 H new ATOM 0 HA THR A 131 -2.930 13.389 -0.693 1.00 10.00 H new ATOM 0 HB THR A 131 -4.475 13.194 -2.689 1.00 10.00 H new ATOM 0 HG1 THR A 131 -3.991 10.651 -2.524 1.00 10.00 H new ATOM 0 HG21 THR A 131 -2.632 13.344 -4.384 1.00 10.00 H new ATOM 0 HG22 THR A 131 -2.245 14.252 -2.903 1.00 10.00 H new ATOM 0 HG23 THR A 131 -1.503 12.660 -3.190 1.00 10.00 H new ATOM 1936 N ASP A 132 -4.845 10.777 -0.358 1.00 10.00 N ATOM 1937 CA ASP A 132 -6.007 10.099 0.145 1.00 10.00 C ATOM 1938 C ASP A 132 -6.208 10.328 1.650 1.00 10.00 C ATOM 1939 O ASP A 132 -7.232 9.923 2.194 1.00 10.00 O ATOM 1940 CB ASP A 132 -5.815 8.594 -0.134 1.00 10.00 C ATOM 1941 CG ASP A 132 -5.323 8.190 -1.529 1.00 10.00 C ATOM 1942 OD1 ASP A 132 -4.711 9.022 -2.250 1.00 10.00 O ATOM 1943 OD2 ASP A 132 -5.527 6.998 -1.841 1.00 10.00 O ATOM 0 H ASP A 132 -4.171 10.114 -0.740 1.00 10.00 H new ATOM 0 HA ASP A 132 -6.895 10.491 -0.352 1.00 10.00 H new ATOM 0 HB2 ASP A 132 -5.108 8.204 0.598 1.00 10.00 H new ATOM 0 HB3 ASP A 132 -6.767 8.095 0.045 1.00 10.00 H new ATOM 1948 N GLY A 133 -5.213 10.896 2.343 1.00 10.00 N ATOM 1949 CA GLY A 133 -5.227 11.063 3.788 1.00 10.00 C ATOM 1950 C GLY A 133 -4.640 9.838 4.488 1.00 10.00 C ATOM 1951 O GLY A 133 -4.654 9.752 5.715 1.00 10.00 O ATOM 0 H GLY A 133 -4.366 11.255 1.902 1.00 10.00 H new ATOM 0 HA2 GLY A 133 -4.655 11.950 4.060 1.00 10.00 H new ATOM 0 HA3 GLY A 133 -6.250 11.225 4.129 1.00 10.00 H new ATOM 1955 N ARG A 134 -4.068 8.900 3.726 1.00 10.00 N ATOM 1956 CA ARG A 134 -3.491 7.685 4.276 1.00 10.00 C ATOM 1957 C ARG A 134 -2.087 8.023 4.767 1.00 10.00 C ATOM 1958 O ARG A 134 -1.078 7.676 4.152 1.00 10.00 O ATOM 1959 CB ARG A 134 -3.517 6.561 3.232 1.00 10.00 C ATOM 1960 CG ARG A 134 -4.972 6.178 2.909 1.00 10.00 C ATOM 1961 CD ARG A 134 -5.118 5.305 1.654 1.00 10.00 C ATOM 1962 NE ARG A 134 -6.497 4.793 1.564 1.00 10.00 N ATOM 1963 CZ ARG A 134 -7.285 4.671 0.479 1.00 10.00 C ATOM 1964 NH1 ARG A 134 -6.935 5.129 -0.727 1.00 10.00 N ATOM 1965 NH2 ARG A 134 -8.467 4.056 0.614 1.00 10.00 N ATOM 0 H ARG A 134 -3.996 8.969 2.711 1.00 10.00 H new ATOM 0 HA ARG A 134 -4.071 7.313 5.120 1.00 10.00 H new ATOM 0 HB2 ARG A 134 -3.007 6.884 2.324 1.00 10.00 H new ATOM 0 HB3 ARG A 134 -2.978 5.691 3.608 1.00 10.00 H new ATOM 0 HG2 ARG A 134 -5.396 5.647 3.761 1.00 10.00 H new ATOM 0 HG3 ARG A 134 -5.557 7.088 2.777 1.00 10.00 H new ATOM 0 HD2 ARG A 134 -4.877 5.887 0.764 1.00 10.00 H new ATOM 0 HD3 ARG A 134 -4.413 4.475 1.693 1.00 10.00 H new ATOM 0 HE ARG A 134 -6.912 4.489 2.445 1.00 10.00 H new ATOM 0 HH11 ARG A 134 -6.036 5.595 -0.855 1.00 10.00 H new ATOM 0 HH12 ARG A 134 -7.566 5.013 -1.520 1.00 10.00 H new ATOM 0 HH21 ARG A 134 -8.752 3.693 1.524 1.00 10.00 H new ATOM 0 HH22 ARG A 134 -9.082 3.951 -0.193 1.00 10.00 H new ATOM 1979 N THR A 135 -2.046 8.743 5.889 1.00 10.00 N ATOM 1980 CA THR A 135 -0.824 9.158 6.549 1.00 10.00 C ATOM 1981 C THR A 135 -0.340 8.021 7.447 1.00 10.00 C ATOM 1982 O THR A 135 -0.324 8.137 8.671 1.00 10.00 O ATOM 1983 CB THR A 135 -0.999 10.522 7.253 1.00 10.00 C ATOM 1984 OG1 THR A 135 0.198 10.883 7.922 1.00 10.00 O ATOM 1985 CG2 THR A 135 -2.163 10.593 8.250 1.00 10.00 C ATOM 0 H THR A 135 -2.888 9.058 6.370 1.00 10.00 H new ATOM 0 HA THR A 135 -0.033 9.341 5.821 1.00 10.00 H new ATOM 0 HB THR A 135 -1.238 11.222 6.452 1.00 10.00 H new ATOM 0 HG1 THR A 135 0.443 10.179 8.558 1.00 10.00 H new ATOM 0 HG21 THR A 135 -2.204 11.589 8.692 1.00 10.00 H new ATOM 0 HG22 THR A 135 -3.099 10.388 7.731 1.00 10.00 H new ATOM 0 HG23 THR A 135 -2.014 9.853 9.037 1.00 10.00 H new ATOM 1993 N LEU A 136 0.058 6.920 6.813 1.00 10.00 N ATOM 1994 CA LEU A 136 0.295 5.643 7.469 1.00 10.00 C ATOM 1995 C LEU A 136 1.663 5.673 8.141 1.00 10.00 C ATOM 1996 O LEU A 136 2.410 6.626 7.959 1.00 10.00 O ATOM 1997 CB LEU A 136 0.258 4.533 6.402 1.00 10.00 C ATOM 1998 CG LEU A 136 -0.778 3.420 6.635 1.00 10.00 C ATOM 1999 CD1 LEU A 136 -0.498 2.609 7.905 1.00 10.00 C ATOM 2000 CD2 LEU A 136 -2.212 3.964 6.643 1.00 10.00 C ATOM 0 H LEU A 136 0.227 6.894 5.807 1.00 10.00 H new ATOM 0 HA LEU A 136 -0.468 5.453 8.224 1.00 10.00 H new ATOM 0 HB2 LEU A 136 0.060 4.992 5.433 1.00 10.00 H new ATOM 0 HB3 LEU A 136 1.247 4.078 6.343 1.00 10.00 H new ATOM 0 HG LEU A 136 -0.680 2.739 5.789 1.00 10.00 H new ATOM 0 HD11 LEU A 136 -1.260 1.838 8.020 1.00 10.00 H new ATOM 0 HD12 LEU A 136 0.483 2.141 7.829 1.00 10.00 H new ATOM 0 HD13 LEU A 136 -0.518 3.271 8.771 1.00 10.00 H new ATOM 0 HD21 LEU A 136 -2.911 3.145 6.811 1.00 10.00 H new ATOM 0 HD22 LEU A 136 -2.318 4.700 7.440 1.00 10.00 H new ATOM 0 HD23 LEU A 136 -2.428 4.435 5.684 1.00 10.00 H new ATOM 2012 N ASN A 137 2.004 4.625 8.890 1.00 10.00 N ATOM 2013 CA ASN A 137 3.298 4.422 9.503 1.00 10.00 C ATOM 2014 C ASN A 137 3.816 3.107 8.942 1.00 10.00 C ATOM 2015 O ASN A 137 3.077 2.126 8.923 1.00 10.00 O ATOM 2016 CB ASN A 137 3.180 4.377 11.029 1.00 10.00 C ATOM 2017 CG ASN A 137 2.343 3.211 11.553 1.00 10.00 C ATOM 2018 OD1 ASN A 137 2.878 2.215 12.024 1.00 10.00 O ATOM 2019 ND2 ASN A 137 1.019 3.336 11.501 1.00 10.00 N ATOM 0 H ASN A 137 1.351 3.867 9.089 1.00 10.00 H new ATOM 0 HA ASN A 137 3.983 5.240 9.282 1.00 10.00 H new ATOM 0 HB2 ASN A 137 4.180 4.315 11.459 1.00 10.00 H new ATOM 0 HB3 ASN A 137 2.740 5.312 11.377 1.00 10.00 H new ATOM 0 HD21 ASN A 137 0.422 2.591 11.859 1.00 10.00 H new ATOM 0 HD22 ASN A 137 0.601 4.177 11.103 1.00 10.00 H new ATOM 2026 N VAL A 138 5.040 3.109 8.423 1.00 10.00 N ATOM 2027 CA VAL A 138 5.678 1.945 7.837 1.00 10.00 C ATOM 2028 C VAL A 138 7.024 1.744 8.532 1.00 10.00 C ATOM 2029 O VAL A 138 7.692 2.717 8.869 1.00 10.00 O ATOM 2030 CB VAL A 138 5.808 2.194 6.324 1.00 10.00 C ATOM 2031 CG1 VAL A 138 6.872 1.315 5.652 1.00 10.00 C ATOM 2032 CG2 VAL A 138 4.459 1.929 5.645 1.00 10.00 C ATOM 0 H VAL A 138 5.627 3.943 8.400 1.00 10.00 H new ATOM 0 HA VAL A 138 5.101 1.031 7.974 1.00 10.00 H new ATOM 0 HB VAL A 138 6.118 3.232 6.207 1.00 10.00 H new ATOM 0 HG11 VAL A 138 6.911 1.542 4.587 1.00 10.00 H new ATOM 0 HG12 VAL A 138 7.845 1.514 6.101 1.00 10.00 H new ATOM 0 HG13 VAL A 138 6.616 0.264 5.790 1.00 10.00 H new ATOM 0 HG21 VAL A 138 4.550 2.105 4.573 1.00 10.00 H new ATOM 0 HG22 VAL A 138 4.161 0.895 5.819 1.00 10.00 H new ATOM 0 HG23 VAL A 138 3.705 2.598 6.060 1.00 10.00 H new ATOM 2042 N ALA A 139 7.426 0.490 8.750 1.00 10.00 N ATOM 2043 CA ALA A 139 8.753 0.169 9.249 1.00 10.00 C ATOM 2044 C ALA A 139 9.717 0.108 8.066 1.00 10.00 C ATOM 2045 O ALA A 139 9.452 -0.603 7.095 1.00 10.00 O ATOM 2046 CB ALA A 139 8.717 -1.166 9.996 1.00 10.00 C ATOM 0 H ALA A 139 6.837 -0.326 8.584 1.00 10.00 H new ATOM 0 HA ALA A 139 9.091 0.935 9.947 1.00 10.00 H new ATOM 0 HB1 ALA A 139 9.714 -1.402 10.368 1.00 10.00 H new ATOM 0 HB2 ALA A 139 8.024 -1.095 10.835 1.00 10.00 H new ATOM 0 HB3 ALA A 139 8.387 -1.953 9.318 1.00 10.00 H new ATOM 2052 N ALA A 140 10.815 0.862 8.152 1.00 10.00 N ATOM 2053 CA ALA A 140 11.912 0.857 7.204 1.00 10.00 C ATOM 2054 C ALA A 140 13.099 0.117 7.810 1.00 10.00 C ATOM 2055 O ALA A 140 13.729 0.595 8.755 1.00 10.00 O ATOM 2056 CB ALA A 140 12.292 2.283 6.839 1.00 10.00 C ATOM 0 H ALA A 140 10.962 1.518 8.919 1.00 10.00 H new ATOM 0 HA ALA A 140 11.606 0.344 6.292 1.00 10.00 H new ATOM 0 HB1 ALA A 140 13.117 2.269 6.127 1.00 10.00 H new ATOM 0 HB2 ALA A 140 11.434 2.785 6.391 1.00 10.00 H new ATOM 0 HB3 ALA A 140 12.598 2.819 7.737 1.00 10.00 H new ATOM 2062 N THR A 141 13.383 -1.054 7.249 1.00 10.00 N ATOM 2063 CA THR A 141 14.388 -1.992 7.726 1.00 10.00 C ATOM 2064 C THR A 141 15.735 -1.652 7.077 1.00 10.00 C ATOM 2065 O THR A 141 15.926 -1.894 5.884 1.00 10.00 O ATOM 2066 CB THR A 141 13.937 -3.425 7.395 1.00 10.00 C ATOM 2067 OG1 THR A 141 12.529 -3.557 7.491 1.00 10.00 O ATOM 2068 CG2 THR A 141 14.588 -4.426 8.353 1.00 10.00 C ATOM 0 H THR A 141 12.898 -1.387 6.416 1.00 10.00 H new ATOM 0 HA THR A 141 14.506 -1.919 8.807 1.00 10.00 H new ATOM 0 HB THR A 141 14.247 -3.633 6.371 1.00 10.00 H new ATOM 0 HG1 THR A 141 12.108 -3.153 6.704 1.00 10.00 H new ATOM 0 HG21 THR A 141 14.258 -5.435 8.105 1.00 10.00 H new ATOM 0 HG22 THR A 141 15.672 -4.366 8.260 1.00 10.00 H new ATOM 0 HG23 THR A 141 14.298 -4.191 9.377 1.00 10.00 H new ATOM 2076 N VAL A 142 16.664 -1.059 7.823 1.00 10.00 N ATOM 2077 CA VAL A 142 17.867 -0.471 7.255 1.00 10.00 C ATOM 2078 C VAL A 142 18.912 -1.573 7.126 1.00 10.00 C ATOM 2079 O VAL A 142 19.581 -1.864 8.110 1.00 10.00 O ATOM 2080 CB VAL A 142 18.348 0.660 8.179 1.00 10.00 C ATOM 2081 CG1 VAL A 142 19.570 1.377 7.602 1.00 10.00 C ATOM 2082 CG2 VAL A 142 17.256 1.706 8.431 1.00 10.00 C ATOM 0 H VAL A 142 16.601 -0.974 8.838 1.00 10.00 H new ATOM 0 HA VAL A 142 17.681 -0.045 6.269 1.00 10.00 H new ATOM 0 HB VAL A 142 18.610 0.179 9.121 1.00 10.00 H new ATOM 0 HG11 VAL A 142 19.881 2.170 8.282 1.00 10.00 H new ATOM 0 HG12 VAL A 142 20.385 0.664 7.478 1.00 10.00 H new ATOM 0 HG13 VAL A 142 19.315 1.809 6.634 1.00 10.00 H new ATOM 0 HG21 VAL A 142 17.643 2.484 9.089 1.00 10.00 H new ATOM 0 HG22 VAL A 142 16.952 2.150 7.483 1.00 10.00 H new ATOM 0 HG23 VAL A 142 16.396 1.228 8.901 1.00 10.00 H new ATOM 2092 N LYS A 143 19.053 -2.227 5.968 1.00 10.00 N ATOM 2093 CA LYS A 143 20.000 -3.336 5.863 1.00 10.00 C ATOM 2094 C LYS A 143 20.458 -3.643 4.430 1.00 10.00 C ATOM 2095 O LYS A 143 20.369 -4.783 3.994 1.00 10.00 O ATOM 2096 CB LYS A 143 19.431 -4.570 6.600 1.00 10.00 C ATOM 2097 CG LYS A 143 18.223 -5.213 5.889 1.00 10.00 C ATOM 2098 CD LYS A 143 18.571 -6.620 5.370 1.00 10.00 C ATOM 2099 CE LYS A 143 18.031 -6.897 3.962 1.00 10.00 C ATOM 2100 NZ LYS A 143 16.575 -7.110 3.951 1.00 10.00 N ATOM 0 H LYS A 143 18.538 -2.014 5.114 1.00 10.00 H new ATOM 0 HA LYS A 143 20.922 -3.028 6.357 1.00 10.00 H new ATOM 0 HB2 LYS A 143 20.219 -5.316 6.704 1.00 10.00 H new ATOM 0 HB3 LYS A 143 19.135 -4.276 7.607 1.00 10.00 H new ATOM 0 HG2 LYS A 143 17.381 -5.274 6.579 1.00 10.00 H new ATOM 0 HG3 LYS A 143 17.908 -4.583 5.057 1.00 10.00 H new ATOM 0 HD2 LYS A 143 19.654 -6.741 5.367 1.00 10.00 H new ATOM 0 HD3 LYS A 143 18.169 -7.363 6.059 1.00 10.00 H new ATOM 0 HE2 LYS A 143 18.278 -6.059 3.310 1.00 10.00 H new ATOM 0 HE3 LYS A 143 18.527 -7.777 3.552 1.00 10.00 H new ATOM 0 HZ1 LYS A 143 16.258 -7.293 2.977 1.00 10.00 H new ATOM 0 HZ2 LYS A 143 16.339 -7.926 4.551 1.00 10.00 H new ATOM 0 HZ3 LYS A 143 16.097 -6.262 4.316 1.00 10.00 H new ATOM 2114 N LYS A 144 21.039 -2.669 3.721 1.00 10.00 N ATOM 2115 CA LYS A 144 21.693 -2.919 2.436 1.00 10.00 C ATOM 2116 C LYS A 144 20.747 -3.454 1.343 1.00 10.00 C ATOM 2117 O LYS A 144 19.571 -3.743 1.567 1.00 10.00 O ATOM 2118 CB LYS A 144 22.964 -3.761 2.632 1.00 10.00 C ATOM 2119 CG LYS A 144 23.993 -2.980 3.468 1.00 10.00 C ATOM 2120 CD LYS A 144 25.236 -3.814 3.798 1.00 10.00 C ATOM 2121 CE LYS A 144 26.090 -4.111 2.556 1.00 10.00 C ATOM 2122 NZ LYS A 144 27.156 -5.088 2.846 1.00 10.00 N ATOM 0 H LYS A 144 21.068 -1.694 4.020 1.00 10.00 H new ATOM 0 HA LYS A 144 22.005 -1.953 2.040 1.00 10.00 H new ATOM 0 HB2 LYS A 144 22.715 -4.698 3.130 1.00 10.00 H new ATOM 0 HB3 LYS A 144 23.392 -4.019 1.663 1.00 10.00 H new ATOM 0 HG2 LYS A 144 24.294 -2.085 2.924 1.00 10.00 H new ATOM 0 HG3 LYS A 144 23.526 -2.648 4.395 1.00 10.00 H new ATOM 0 HD2 LYS A 144 25.841 -3.283 4.533 1.00 10.00 H new ATOM 0 HD3 LYS A 144 24.928 -4.754 4.257 1.00 10.00 H new ATOM 0 HE2 LYS A 144 25.452 -4.494 1.759 1.00 10.00 H new ATOM 0 HE3 LYS A 144 26.535 -3.185 2.191 1.00 10.00 H new ATOM 0 HZ1 LYS A 144 27.711 -5.263 1.984 1.00 10.00 H new ATOM 0 HZ2 LYS A 144 27.779 -4.711 3.588 1.00 10.00 H new ATOM 0 HZ3 LYS A 144 26.731 -5.980 3.171 1.00 10.00 H new