USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 937 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 31 GLN : amide:sc= -1.1 K(o=-1.2,f=-0.11) USER MOD Set 1.2: A 49 MET CE :methyl -155:sc= -0.1 (180deg=-0.541) USER MOD Single : A 29 THR OG1 : rot -140:sc= 0.214 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -145:sc= 1.35 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.828 X(o=-0.83,f=-0.56) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.00614 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -154:sc= -0.0993 (180deg=-1.31) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 130:sc= 1.31 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 79 HIS : no HE2:sc= 0.461 K(o=0.46,f=-4.4!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -157:sc= 0 (180deg=-0.244) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 177:sc= 0 (180deg=-0.0281) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.042) USER MOD Single : A 108 HIS : no HD1:sc= -0.0415 X(o=-0.042,f=-0.44) USER MOD Single : A 110 MET CE :methyl 176:sc= 0 (180deg=-0.0182) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 166:sc= 0.941 (180deg=0.803) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -120:sc= 0.665 (180deg=0.441) USER MOD Single : A 131 THR OG1 : rot -37:sc= 0.558 USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 THR OG1 : rot 86:sc= 0.0903 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 Single : A 145 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 369 N VAL A 28 -11.518 8.074 -7.322 1.00 4.87 N ATOM 370 CA VAL A 28 -12.573 7.160 -6.854 1.00 3.15 C ATOM 371 C VAL A 28 -11.901 5.848 -6.429 1.00 3.69 C ATOM 372 O VAL A 28 -11.177 5.233 -7.209 1.00 5.35 O ATOM 373 CB VAL A 28 -13.713 7.005 -7.890 1.00 2.50 C ATOM 374 CG1 VAL A 28 -13.265 6.441 -9.250 1.00 3.79 C ATOM 375 CG2 VAL A 28 -14.878 6.199 -7.296 1.00 2.83 C ATOM 0 HA VAL A 28 -13.086 7.570 -5.984 1.00 3.15 H new ATOM 0 HB VAL A 28 -14.057 8.016 -8.110 1.00 2.50 H new ATOM 0 HG11 VAL A 28 -14.126 6.366 -9.914 1.00 3.79 H new ATOM 0 HG12 VAL A 28 -12.522 7.105 -9.692 1.00 3.79 H new ATOM 0 HG13 VAL A 28 -12.829 5.452 -9.108 1.00 3.79 H new ATOM 0 HG21 VAL A 28 -15.669 6.101 -8.039 1.00 2.83 H new ATOM 0 HG22 VAL A 28 -14.526 5.208 -7.008 1.00 2.83 H new ATOM 0 HG23 VAL A 28 -15.267 6.715 -6.418 1.00 2.83 H new ATOM 385 N THR A 29 -12.052 5.497 -5.145 1.00 2.92 N ATOM 386 CA THR A 29 -11.347 4.431 -4.405 1.00 3.43 C ATOM 387 C THR A 29 -12.197 4.063 -3.185 1.00 2.14 C ATOM 388 O THR A 29 -13.133 4.798 -2.868 1.00 2.57 O ATOM 389 CB THR A 29 -9.905 4.817 -3.969 1.00 5.09 C ATOM 390 OG1 THR A 29 -9.870 5.248 -2.631 1.00 5.78 O ATOM 391 CG2 THR A 29 -9.193 5.928 -4.748 1.00 6.79 C ATOM 0 H THR A 29 -12.719 5.985 -4.548 1.00 2.92 H new ATOM 0 HA THR A 29 -11.225 3.581 -5.076 1.00 3.43 H new ATOM 0 HB THR A 29 -9.382 3.881 -4.164 1.00 5.09 H new ATOM 0 HG1 THR A 29 -9.258 6.009 -2.548 1.00 5.78 H new ATOM 0 HG21 THR A 29 -8.199 6.086 -4.330 1.00 6.79 H new ATOM 0 HG22 THR A 29 -9.105 5.639 -5.795 1.00 6.79 H new ATOM 0 HG23 THR A 29 -9.768 6.851 -4.673 1.00 6.79 H new ATOM 399 N VAL A 30 -11.802 3.024 -2.433 1.00 2.89 N ATOM 400 CA VAL A 30 -12.197 2.897 -1.019 1.00 3.49 C ATOM 401 C VAL A 30 -10.981 2.509 -0.153 1.00 2.73 C ATOM 402 O VAL A 30 -11.059 1.657 0.729 1.00 3.43 O ATOM 403 CB VAL A 30 -13.428 1.963 -0.806 1.00 6.04 C ATOM 404 CG1 VAL A 30 -14.121 2.261 0.540 1.00 7.16 C ATOM 405 CG2 VAL A 30 -14.506 2.059 -1.905 1.00 7.21 C ATOM 0 H VAL A 30 -11.214 2.264 -2.776 1.00 2.89 H new ATOM 0 HA VAL A 30 -12.539 3.876 -0.684 1.00 3.49 H new ATOM 0 HB VAL A 30 -13.006 0.958 -0.833 1.00 6.04 H new ATOM 0 HG11 VAL A 30 -14.976 1.596 0.664 1.00 7.16 H new ATOM 0 HG12 VAL A 30 -13.416 2.101 1.356 1.00 7.16 H new ATOM 0 HG13 VAL A 30 -14.462 3.296 0.553 1.00 7.16 H new ATOM 0 HG21 VAL A 30 -15.323 1.375 -1.674 1.00 7.21 H new ATOM 0 HG22 VAL A 30 -14.888 3.079 -1.952 1.00 7.21 H new ATOM 0 HG23 VAL A 30 -14.070 1.791 -2.867 1.00 7.21 H new ATOM 415 N GLN A 31 -9.800 3.065 -0.469 1.00 1.91 N ATOM 416 CA GLN A 31 -8.548 2.366 -0.162 1.00 1.77 C ATOM 417 C GLN A 31 -8.006 2.505 1.262 1.00 2.06 C ATOM 418 O GLN A 31 -7.156 1.702 1.636 1.00 3.35 O ATOM 419 CB GLN A 31 -7.485 2.735 -1.203 1.00 2.11 C ATOM 420 CG GLN A 31 -6.915 4.165 -1.107 1.00 2.37 C ATOM 421 CD GLN A 31 -5.795 4.441 -2.106 1.00 2.48 C ATOM 422 OE1 GLN A 31 -4.936 5.285 -1.894 1.00 3.16 O ATOM 423 NE2 GLN A 31 -5.707 3.749 -3.227 1.00 2.37 N ATOM 0 H GLN A 31 -9.689 3.971 -0.924 1.00 1.91 H new ATOM 0 HA GLN A 31 -8.802 1.307 -0.217 1.00 1.77 H new ATOM 0 HB2 GLN A 31 -6.659 2.029 -1.116 1.00 2.11 H new ATOM 0 HB3 GLN A 31 -7.915 2.602 -2.196 1.00 2.11 H new ATOM 0 HG2 GLN A 31 -7.721 4.881 -1.270 1.00 2.37 H new ATOM 0 HG3 GLN A 31 -6.540 4.331 -0.097 1.00 2.37 H new ATOM 0 HE21 GLN A 31 -6.403 3.035 -3.442 1.00 2.37 H new ATOM 0 HE22 GLN A 31 -4.943 3.928 -3.878 1.00 2.37 H new ATOM 432 N GLY A 32 -8.437 3.510 2.032 1.00 1.65 N ATOM 433 CA GLY A 32 -8.169 3.637 3.472 1.00 2.07 C ATOM 434 C GLY A 32 -6.716 3.882 3.907 1.00 1.71 C ATOM 435 O GLY A 32 -6.523 4.307 5.045 1.00 2.29 O ATOM 0 H GLY A 32 -8.997 4.279 1.663 1.00 1.65 H new ATOM 0 HA2 GLY A 32 -8.777 4.456 3.856 1.00 2.07 H new ATOM 0 HA3 GLY A 32 -8.517 2.726 3.960 1.00 2.07 H new ATOM 439 N ALA A 33 -5.722 3.576 3.061 1.00 1.17 N ATOM 440 CA ALA A 33 -4.282 3.706 3.311 1.00 1.23 C ATOM 441 C ALA A 33 -3.916 3.185 4.712 1.00 1.10 C ATOM 442 O ALA A 33 -3.591 3.960 5.615 1.00 1.29 O ATOM 443 CB ALA A 33 -3.863 5.159 3.050 1.00 1.95 C ATOM 0 H ALA A 33 -5.915 3.209 2.129 1.00 1.17 H new ATOM 0 HA ALA A 33 -3.714 3.079 2.623 1.00 1.23 H new ATOM 0 HB1 ALA A 33 -2.794 5.268 3.233 1.00 1.95 H new ATOM 0 HB2 ALA A 33 -4.083 5.421 2.015 1.00 1.95 H new ATOM 0 HB3 ALA A 33 -4.414 5.822 3.717 1.00 1.95 H new ATOM 449 N THR A 34 -4.087 1.870 4.917 1.00 1.01 N ATOM 450 CA THR A 34 -4.132 1.259 6.251 1.00 0.96 C ATOM 451 C THR A 34 -2.897 0.414 6.535 1.00 0.89 C ATOM 452 O THR A 34 -2.541 -0.441 5.731 1.00 1.03 O ATOM 453 CB THR A 34 -5.393 0.422 6.419 1.00 1.08 C ATOM 454 OG1 THR A 34 -6.523 1.215 6.116 1.00 1.67 O ATOM 455 CG2 THR A 34 -5.576 -0.104 7.839 1.00 1.24 C ATOM 0 H THR A 34 -4.198 1.199 4.157 1.00 1.01 H new ATOM 0 HA THR A 34 -4.148 2.073 6.975 1.00 0.96 H new ATOM 0 HB THR A 34 -5.291 -0.429 5.745 1.00 1.08 H new ATOM 0 HG1 THR A 34 -7.337 0.679 6.221 1.00 1.67 H new ATOM 0 HG21 THR A 34 -6.492 -0.692 7.894 1.00 1.24 H new ATOM 0 HG22 THR A 34 -4.725 -0.731 8.107 1.00 1.24 H new ATOM 0 HG23 THR A 34 -5.642 0.735 8.532 1.00 1.24 H new ATOM 463 N VAL A 35 -2.294 0.618 7.703 1.00 0.76 N ATOM 464 CA VAL A 35 -1.161 -0.169 8.234 1.00 0.70 C ATOM 465 C VAL A 35 -1.644 -1.294 9.161 1.00 0.71 C ATOM 466 O VAL A 35 -2.589 -1.113 9.932 1.00 0.75 O ATOM 467 CB VAL A 35 -0.152 0.704 9.019 1.00 0.67 C ATOM 468 CG1 VAL A 35 1.185 -0.016 9.279 1.00 0.77 C ATOM 469 CG2 VAL A 35 0.178 2.017 8.282 1.00 0.85 C ATOM 0 H VAL A 35 -2.585 1.362 8.337 1.00 0.76 H new ATOM 0 HA VAL A 35 -0.663 -0.591 7.361 1.00 0.70 H new ATOM 0 HB VAL A 35 -0.651 0.912 9.966 1.00 0.67 H new ATOM 0 HG11 VAL A 35 1.852 0.645 9.833 1.00 0.77 H new ATOM 0 HG12 VAL A 35 1.004 -0.920 9.861 1.00 0.77 H new ATOM 0 HG13 VAL A 35 1.646 -0.283 8.328 1.00 0.77 H new ATOM 0 HG21 VAL A 35 0.889 2.596 8.871 1.00 0.85 H new ATOM 0 HG22 VAL A 35 0.613 1.789 7.309 1.00 0.85 H new ATOM 0 HG23 VAL A 35 -0.735 2.596 8.144 1.00 0.85 H new ATOM 479 N ALA A 36 -0.935 -2.423 9.118 1.00 0.75 N ATOM 480 CA ALA A 36 -0.994 -3.510 10.090 1.00 0.86 C ATOM 481 C ALA A 36 -0.355 -3.085 11.435 1.00 0.97 C ATOM 482 O ALA A 36 0.870 -3.111 11.585 1.00 1.57 O ATOM 483 CB ALA A 36 -0.301 -4.727 9.460 1.00 1.06 C ATOM 0 H ALA A 36 -0.272 -2.611 8.366 1.00 0.75 H new ATOM 0 HA ALA A 36 -2.026 -3.769 10.327 1.00 0.86 H new ATOM 0 HB1 ALA A 36 -0.325 -5.562 10.160 1.00 1.06 H new ATOM 0 HB2 ALA A 36 -0.819 -5.007 8.543 1.00 1.06 H new ATOM 0 HB3 ALA A 36 0.735 -4.477 9.229 1.00 1.06 H new ATOM 489 N ALA A 37 -1.182 -2.702 12.417 1.00 0.77 N ATOM 490 CA ALA A 37 -0.767 -2.396 13.792 1.00 0.89 C ATOM 491 C ALA A 37 0.042 -3.539 14.415 1.00 0.91 C ATOM 492 O ALA A 37 -0.469 -4.651 14.506 1.00 1.07 O ATOM 493 CB ALA A 37 -2.001 -2.175 14.672 1.00 1.04 C ATOM 0 H ALA A 37 -2.186 -2.594 12.272 1.00 0.77 H new ATOM 0 HA ALA A 37 -0.147 -1.501 13.743 1.00 0.89 H new ATOM 0 HB1 ALA A 37 -1.686 -1.948 15.691 1.00 1.04 H new ATOM 0 HB2 ALA A 37 -2.584 -1.342 14.279 1.00 1.04 H new ATOM 0 HB3 ALA A 37 -2.613 -3.077 14.674 1.00 1.04 H new ATOM 499 N VAL A 38 1.254 -3.262 14.891 1.00 1.08 N ATOM 500 CA VAL A 38 2.147 -4.268 15.480 1.00 1.10 C ATOM 501 C VAL A 38 2.560 -3.842 16.905 1.00 1.18 C ATOM 502 O VAL A 38 2.806 -2.648 17.110 1.00 1.29 O ATOM 503 CB VAL A 38 3.355 -4.505 14.537 1.00 1.17 C ATOM 504 CG1 VAL A 38 4.400 -3.374 14.553 1.00 2.65 C ATOM 505 CG2 VAL A 38 4.005 -5.856 14.836 1.00 1.83 C ATOM 0 H VAL A 38 1.652 -2.323 14.880 1.00 1.08 H new ATOM 0 HA VAL A 38 1.630 -5.222 15.582 1.00 1.10 H new ATOM 0 HB VAL A 38 2.951 -4.509 13.525 1.00 1.17 H new ATOM 0 HG11 VAL A 38 5.211 -3.618 13.867 1.00 2.65 H new ATOM 0 HG12 VAL A 38 3.931 -2.441 14.242 1.00 2.65 H new ATOM 0 HG13 VAL A 38 4.799 -3.262 15.561 1.00 2.65 H new ATOM 0 HG21 VAL A 38 4.851 -6.009 14.166 1.00 1.83 H new ATOM 0 HG22 VAL A 38 4.352 -5.872 15.869 1.00 1.83 H new ATOM 0 HG23 VAL A 38 3.276 -6.652 14.686 1.00 1.83 H new ATOM 515 N PRO A 39 2.617 -4.764 17.892 1.00 1.26 N ATOM 516 CA PRO A 39 3.076 -4.471 19.254 1.00 1.42 C ATOM 517 C PRO A 39 4.589 -4.172 19.312 1.00 1.37 C ATOM 518 O PRO A 39 5.287 -4.384 18.319 1.00 1.32 O ATOM 519 CB PRO A 39 2.702 -5.717 20.077 1.00 1.61 C ATOM 520 CG PRO A 39 2.712 -6.846 19.053 1.00 1.54 C ATOM 521 CD PRO A 39 2.174 -6.154 17.806 1.00 1.37 C ATOM 0 HA PRO A 39 2.607 -3.569 19.648 1.00 1.42 H new ATOM 0 HB2 PRO A 39 3.419 -5.897 20.878 1.00 1.61 H new ATOM 0 HB3 PRO A 39 1.723 -5.609 20.544 1.00 1.61 H new ATOM 0 HG2 PRO A 39 3.714 -7.245 18.897 1.00 1.54 H new ATOM 0 HG3 PRO A 39 2.081 -7.680 19.360 1.00 1.54 H new ATOM 0 HD2 PRO A 39 2.554 -6.629 16.902 1.00 1.37 H new ATOM 0 HD3 PRO A 39 1.086 -6.215 17.765 1.00 1.37 H new ATOM 529 N PRO A 40 5.119 -3.703 20.464 1.00 1.56 N ATOM 530 CA PRO A 40 6.557 -3.521 20.681 1.00 1.73 C ATOM 531 C PRO A 40 7.336 -4.845 20.624 1.00 1.88 C ATOM 532 O PRO A 40 6.763 -5.926 20.551 1.00 3.02 O ATOM 533 CB PRO A 40 6.689 -2.819 22.040 1.00 2.07 C ATOM 534 CG PRO A 40 5.423 -3.241 22.779 1.00 2.08 C ATOM 535 CD PRO A 40 4.387 -3.295 21.659 1.00 1.79 C ATOM 0 HA PRO A 40 6.998 -2.921 19.885 1.00 1.73 H new ATOM 0 HB2 PRO A 40 7.588 -3.134 22.570 1.00 2.07 H new ATOM 0 HB3 PRO A 40 6.748 -1.736 21.929 1.00 2.07 H new ATOM 0 HG2 PRO A 40 5.542 -4.208 23.268 1.00 2.08 H new ATOM 0 HG3 PRO A 40 5.147 -2.524 23.553 1.00 2.08 H new ATOM 0 HD2 PRO A 40 3.593 -4.004 21.893 1.00 1.79 H new ATOM 0 HD3 PRO A 40 3.914 -2.323 21.516 1.00 1.79 H new ATOM 543 N SER A 41 8.669 -4.740 20.598 1.00 1.73 N ATOM 544 CA SER A 41 9.652 -5.815 20.308 1.00 1.85 C ATOM 545 C SER A 41 9.706 -6.211 18.816 1.00 1.70 C ATOM 546 O SER A 41 10.748 -6.625 18.300 1.00 1.90 O ATOM 547 CB SER A 41 9.412 -7.054 21.184 1.00 2.08 C ATOM 548 OG SER A 41 10.637 -7.754 21.331 1.00 2.41 O ATOM 0 H SER A 41 9.129 -3.850 20.790 1.00 1.73 H new ATOM 0 HA SER A 41 10.626 -5.393 20.557 1.00 1.85 H new ATOM 0 HB2 SER A 41 9.027 -6.758 22.160 1.00 2.08 H new ATOM 0 HB3 SER A 41 8.661 -7.699 20.728 1.00 2.08 H new ATOM 0 HG SER A 41 10.496 -8.546 21.890 1.00 2.41 H new ATOM 554 N ILE A 42 8.605 -6.052 18.076 1.00 1.51 N ATOM 555 CA ILE A 42 8.536 -6.405 16.656 1.00 1.41 C ATOM 556 C ILE A 42 8.964 -5.210 15.779 1.00 1.33 C ATOM 557 O ILE A 42 8.418 -4.114 15.890 1.00 1.55 O ATOM 558 CB ILE A 42 7.122 -6.895 16.290 1.00 1.43 C ATOM 559 CG1 ILE A 42 6.484 -7.870 17.308 1.00 1.85 C ATOM 560 CG2 ILE A 42 7.161 -7.542 14.896 1.00 1.42 C ATOM 561 CD1 ILE A 42 7.295 -9.144 17.597 1.00 2.34 C ATOM 0 H ILE A 42 7.733 -5.673 18.447 1.00 1.51 H new ATOM 0 HA ILE A 42 9.231 -7.222 16.465 1.00 1.41 H new ATOM 0 HB ILE A 42 6.483 -6.012 16.304 1.00 1.43 H new ATOM 0 HG12 ILE A 42 6.328 -7.338 18.247 1.00 1.85 H new ATOM 0 HG13 ILE A 42 5.500 -8.161 16.939 1.00 1.85 H new ATOM 0 HG21 ILE A 42 6.164 -7.892 14.629 1.00 1.42 H new ATOM 0 HG22 ILE A 42 7.496 -6.808 14.163 1.00 1.42 H new ATOM 0 HG23 ILE A 42 7.851 -8.386 14.906 1.00 1.42 H new ATOM 0 HD11 ILE A 42 6.761 -9.758 18.322 1.00 2.34 H new ATOM 0 HD12 ILE A 42 7.430 -9.707 16.673 1.00 2.34 H new ATOM 0 HD13 ILE A 42 8.270 -8.871 18.001 1.00 2.34 H new ATOM 573 N ARG A 43 9.931 -5.454 14.886 1.00 1.25 N ATOM 574 CA ARG A 43 10.518 -4.494 13.935 1.00 1.30 C ATOM 575 C ARG A 43 10.232 -4.943 12.485 1.00 1.30 C ATOM 576 O ARG A 43 11.068 -4.843 11.578 1.00 1.76 O ATOM 577 CB ARG A 43 12.016 -4.328 14.254 1.00 1.60 C ATOM 578 CG ARG A 43 12.248 -3.589 15.591 1.00 2.52 C ATOM 579 CD ARG A 43 13.751 -3.439 15.862 1.00 2.86 C ATOM 580 NE ARG A 43 14.076 -2.360 16.826 1.00 4.44 N ATOM 581 CZ ARG A 43 15.322 -2.040 17.173 1.00 4.96 C ATOM 582 NH1 ARG A 43 16.339 -2.801 16.845 1.00 4.16 N ATOM 583 NH2 ARG A 43 15.598 -0.944 17.851 1.00 6.85 N ATOM 0 H ARG A 43 10.351 -6.380 14.801 1.00 1.25 H new ATOM 0 HA ARG A 43 10.060 -3.510 14.037 1.00 1.30 H new ATOM 0 HB2 ARG A 43 12.488 -5.310 14.296 1.00 1.60 H new ATOM 0 HB3 ARG A 43 12.499 -3.777 13.447 1.00 1.60 H new ATOM 0 HG2 ARG A 43 11.778 -2.606 15.558 1.00 2.52 H new ATOM 0 HG3 ARG A 43 11.778 -4.140 16.405 1.00 2.52 H new ATOM 0 HD2 ARG A 43 14.139 -4.384 16.243 1.00 2.86 H new ATOM 0 HD3 ARG A 43 14.263 -3.240 14.921 1.00 2.86 H new ATOM 0 HE ARG A 43 13.307 -1.837 17.244 1.00 4.44 H new ATOM 0 HH11 ARG A 43 16.184 -3.658 16.313 1.00 4.16 H new ATOM 0 HH12 ARG A 43 17.284 -2.536 17.122 1.00 4.16 H new ATOM 0 HH21 ARG A 43 14.846 -0.311 18.126 1.00 6.85 H new ATOM 0 HH22 ARG A 43 16.563 -0.728 18.101 1.00 6.85 H new ATOM 597 N ASP A 44 8.996 -5.402 12.268 1.00 0.98 N ATOM 598 CA ASP A 44 8.444 -6.020 11.064 1.00 1.10 C ATOM 599 C ASP A 44 6.933 -5.676 11.006 1.00 0.86 C ATOM 600 O ASP A 44 6.237 -5.939 11.985 1.00 0.95 O ATOM 601 CB ASP A 44 8.591 -7.565 11.161 1.00 1.55 C ATOM 602 CG ASP A 44 10.013 -8.141 11.334 1.00 2.08 C ATOM 603 OD1 ASP A 44 10.620 -7.986 12.419 1.00 2.91 O ATOM 604 OD2 ASP A 44 10.461 -8.853 10.397 1.00 2.78 O ATOM 0 H ASP A 44 8.291 -5.343 13.003 1.00 0.98 H new ATOM 0 HA ASP A 44 8.967 -5.656 10.180 1.00 1.10 H new ATOM 0 HB2 ASP A 44 7.986 -7.907 12.001 1.00 1.55 H new ATOM 0 HB3 ASP A 44 8.160 -8.000 10.259 1.00 1.55 H new ATOM 609 N THR A 45 6.405 -5.136 9.889 1.00 0.79 N ATOM 610 CA THR A 45 4.944 -5.064 9.600 1.00 0.75 C ATOM 611 C THR A 45 4.645 -4.767 8.123 1.00 0.60 C ATOM 612 O THR A 45 5.562 -4.712 7.306 1.00 0.71 O ATOM 613 CB THR A 45 4.154 -4.178 10.594 1.00 1.04 C ATOM 614 OG1 THR A 45 2.829 -4.657 10.593 1.00 2.57 O ATOM 615 CG2 THR A 45 4.131 -2.686 10.258 1.00 1.35 C ATOM 0 H THR A 45 6.980 -4.731 9.150 1.00 0.79 H new ATOM 0 HA THR A 45 4.559 -6.068 9.776 1.00 0.75 H new ATOM 0 HB THR A 45 4.653 -4.249 11.560 1.00 1.04 H new ATOM 0 HG1 THR A 45 2.210 -3.906 10.708 1.00 2.57 H new ATOM 0 HG21 THR A 45 3.554 -2.152 11.013 1.00 1.35 H new ATOM 0 HG22 THR A 45 5.151 -2.301 10.242 1.00 1.35 H new ATOM 0 HG23 THR A 45 3.672 -2.540 9.280 1.00 1.35 H new ATOM 623 N ALA A 46 3.373 -4.601 7.760 1.00 0.73 N ATOM 624 CA ALA A 46 2.906 -4.367 6.389 1.00 0.89 C ATOM 625 C ALA A 46 1.767 -3.332 6.316 1.00 0.84 C ATOM 626 O ALA A 46 1.226 -2.920 7.340 1.00 0.98 O ATOM 627 CB ALA A 46 2.500 -5.730 5.804 1.00 1.11 C ATOM 0 H ALA A 46 2.610 -4.626 8.436 1.00 0.73 H new ATOM 0 HA ALA A 46 3.708 -3.929 5.795 1.00 0.89 H new ATOM 0 HB1 ALA A 46 2.146 -5.596 4.782 1.00 1.11 H new ATOM 0 HB2 ALA A 46 3.362 -6.398 5.805 1.00 1.11 H new ATOM 0 HB3 ALA A 46 1.704 -6.163 6.410 1.00 1.11 H new ATOM 633 N ALA A 47 1.389 -2.924 5.102 1.00 0.83 N ATOM 634 CA ALA A 47 0.219 -2.085 4.835 1.00 0.75 C ATOM 635 C ALA A 47 -0.556 -2.552 3.587 1.00 0.83 C ATOM 636 O ALA A 47 -0.006 -3.206 2.693 1.00 1.00 O ATOM 637 CB ALA A 47 0.659 -0.617 4.753 1.00 0.86 C ATOM 0 H ALA A 47 1.901 -3.175 4.256 1.00 0.83 H new ATOM 0 HA ALA A 47 -0.487 -2.183 5.660 1.00 0.75 H new ATOM 0 HB1 ALA A 47 -0.209 0.012 4.554 1.00 0.86 H new ATOM 0 HB2 ALA A 47 1.114 -0.320 5.698 1.00 0.86 H new ATOM 0 HB3 ALA A 47 1.385 -0.499 3.948 1.00 0.86 H new ATOM 643 N TYR A 48 -1.850 -2.213 3.582 1.00 0.86 N ATOM 644 CA TYR A 48 -2.934 -2.696 2.712 1.00 0.96 C ATOM 645 C TYR A 48 -3.601 -1.573 1.884 1.00 1.06 C ATOM 646 O TYR A 48 -3.558 -0.395 2.264 1.00 1.49 O ATOM 647 CB TYR A 48 -4.044 -3.288 3.602 1.00 1.43 C ATOM 648 CG TYR A 48 -3.625 -4.267 4.681 1.00 1.39 C ATOM 649 CD1 TYR A 48 -3.484 -5.632 4.371 1.00 1.92 C ATOM 650 CD2 TYR A 48 -3.469 -3.828 6.012 1.00 2.87 C ATOM 651 CE1 TYR A 48 -3.193 -6.557 5.389 1.00 2.42 C ATOM 652 CE2 TYR A 48 -3.192 -4.753 7.036 1.00 3.39 C ATOM 653 CZ TYR A 48 -3.052 -6.124 6.724 1.00 2.71 C ATOM 654 OH TYR A 48 -2.818 -7.038 7.707 1.00 3.54 O ATOM 0 H TYR A 48 -2.201 -1.527 4.251 1.00 0.86 H new ATOM 0 HA TYR A 48 -2.487 -3.418 2.029 1.00 0.96 H new ATOM 0 HB2 TYR A 48 -4.568 -2.461 4.082 1.00 1.43 H new ATOM 0 HB3 TYR A 48 -4.764 -3.788 2.954 1.00 1.43 H new ATOM 0 HD1 TYR A 48 -3.599 -5.969 3.351 1.00 1.92 H new ATOM 0 HD2 TYR A 48 -3.562 -2.778 6.247 1.00 2.87 H new ATOM 0 HE1 TYR A 48 -3.077 -7.603 5.148 1.00 2.42 H new ATOM 0 HE2 TYR A 48 -3.087 -4.416 8.057 1.00 3.39 H new ATOM 0 HH TYR A 48 -2.745 -6.579 8.570 1.00 3.54 H new ATOM 664 N MET A 49 -4.304 -1.941 0.798 1.00 0.94 N ATOM 665 CA MET A 49 -4.910 -0.978 -0.135 1.00 1.27 C ATOM 666 C MET A 49 -6.007 -1.616 -1.024 1.00 1.08 C ATOM 667 O MET A 49 -5.922 -2.781 -1.397 1.00 1.14 O ATOM 668 CB MET A 49 -3.738 -0.306 -0.887 1.00 1.78 C ATOM 669 CG MET A 49 -4.081 0.725 -1.957 1.00 3.26 C ATOM 670 SD MET A 49 -2.933 2.125 -2.011 1.00 4.26 S ATOM 671 CE MET A 49 -3.242 2.897 -0.399 1.00 4.43 C ATOM 0 H MET A 49 -4.467 -2.915 0.544 1.00 0.94 H new ATOM 0 HA MET A 49 -5.475 -0.205 0.386 1.00 1.27 H new ATOM 0 HB2 MET A 49 -3.099 0.177 -0.148 1.00 1.78 H new ATOM 0 HB3 MET A 49 -3.146 -1.092 -1.356 1.00 1.78 H new ATOM 0 HG2 MET A 49 -4.090 0.236 -2.931 1.00 3.26 H new ATOM 0 HG3 MET A 49 -5.089 1.099 -1.779 1.00 3.26 H new ATOM 0 HE1 MET A 49 -2.981 3.954 -0.446 1.00 4.43 H new ATOM 0 HE2 MET A 49 -4.297 2.795 -0.143 1.00 4.43 H new ATOM 0 HE3 MET A 49 -2.635 2.406 0.362 1.00 4.43 H new ATOM 681 N THR A 50 -7.070 -0.863 -1.344 1.00 1.16 N ATOM 682 CA THR A 50 -8.249 -1.338 -2.112 1.00 1.14 C ATOM 683 C THR A 50 -8.896 -0.207 -2.900 1.00 1.32 C ATOM 684 O THR A 50 -9.676 0.595 -2.380 1.00 1.85 O ATOM 685 CB THR A 50 -9.309 -2.009 -1.214 1.00 1.41 C ATOM 686 OG1 THR A 50 -9.262 -1.479 0.089 1.00 2.76 O ATOM 687 CG2 THR A 50 -9.127 -3.523 -1.115 1.00 2.00 C ATOM 0 H THR A 50 -7.143 0.118 -1.073 1.00 1.16 H new ATOM 0 HA THR A 50 -7.869 -2.087 -2.807 1.00 1.14 H new ATOM 0 HB THR A 50 -10.272 -1.803 -1.682 1.00 1.41 H new ATOM 0 HG1 THR A 50 -9.942 -1.915 0.644 1.00 2.76 H new ATOM 0 HG21 THR A 50 -9.900 -3.941 -0.471 1.00 2.00 H new ATOM 0 HG22 THR A 50 -9.204 -3.965 -2.109 1.00 2.00 H new ATOM 0 HG23 THR A 50 -8.146 -3.745 -0.695 1.00 2.00 H new ATOM 695 N LEU A 51 -8.584 -0.109 -4.191 1.00 1.24 N ATOM 696 CA LEU A 51 -9.154 0.898 -5.081 1.00 1.41 C ATOM 697 C LEU A 51 -10.255 0.212 -5.903 1.00 1.39 C ATOM 698 O LEU A 51 -9.986 -0.563 -6.818 1.00 1.88 O ATOM 699 CB LEU A 51 -7.997 1.480 -5.923 1.00 1.80 C ATOM 700 CG LEU A 51 -8.277 2.775 -6.709 1.00 2.68 C ATOM 701 CD1 LEU A 51 -6.971 3.277 -7.336 1.00 3.75 C ATOM 702 CD2 LEU A 51 -9.340 2.627 -7.800 1.00 3.88 C ATOM 0 H LEU A 51 -7.922 -0.733 -4.652 1.00 1.24 H new ATOM 0 HA LEU A 51 -9.620 1.736 -4.562 1.00 1.41 H new ATOM 0 HB2 LEU A 51 -7.155 1.665 -5.256 1.00 1.80 H new ATOM 0 HB3 LEU A 51 -7.679 0.716 -6.633 1.00 1.80 H new ATOM 0 HG LEU A 51 -8.675 3.491 -5.991 1.00 2.68 H new ATOM 0 HD11 LEU A 51 -7.164 4.194 -7.894 1.00 3.75 H new ATOM 0 HD12 LEU A 51 -6.243 3.477 -6.550 1.00 3.75 H new ATOM 0 HD13 LEU A 51 -6.576 2.518 -8.011 1.00 3.75 H new ATOM 0 HD21 LEU A 51 -9.478 3.583 -8.306 1.00 3.88 H new ATOM 0 HD22 LEU A 51 -9.018 1.877 -8.523 1.00 3.88 H new ATOM 0 HD23 LEU A 51 -10.283 2.316 -7.350 1.00 3.88 H new ATOM 714 N THR A 52 -11.503 0.521 -5.559 1.00 1.36 N ATOM 715 CA THR A 52 -12.684 0.208 -6.360 1.00 1.52 C ATOM 716 C THR A 52 -13.168 1.539 -6.908 1.00 1.33 C ATOM 717 O THR A 52 -13.357 2.481 -6.137 1.00 1.62 O ATOM 718 CB THR A 52 -13.732 -0.485 -5.482 1.00 2.09 C ATOM 719 OG1 THR A 52 -13.179 -1.703 -5.047 1.00 2.64 O ATOM 720 CG2 THR A 52 -15.026 -0.816 -6.220 1.00 3.50 C ATOM 0 H THR A 52 -11.727 1.009 -4.692 1.00 1.36 H new ATOM 0 HA THR A 52 -12.475 -0.480 -7.179 1.00 1.52 H new ATOM 0 HB THR A 52 -13.980 0.200 -4.671 1.00 2.09 H new ATOM 0 HG1 THR A 52 -13.826 -2.172 -4.480 1.00 2.64 H new ATOM 0 HG21 THR A 52 -15.720 -1.304 -5.536 1.00 3.50 H new ATOM 0 HG22 THR A 52 -15.475 0.103 -6.598 1.00 3.50 H new ATOM 0 HG23 THR A 52 -14.809 -1.483 -7.054 1.00 3.50 H new ATOM 728 N ASN A 53 -13.315 1.635 -8.227 1.00 1.30 N ATOM 729 CA ASN A 53 -14.029 2.732 -8.865 1.00 1.37 C ATOM 730 C ASN A 53 -15.546 2.501 -8.753 1.00 1.64 C ATOM 731 O ASN A 53 -15.997 1.390 -8.484 1.00 2.01 O ATOM 732 CB ASN A 53 -13.557 2.920 -10.319 1.00 1.52 C ATOM 733 CG ASN A 53 -13.913 1.740 -11.212 1.00 2.12 C ATOM 734 OD1 ASN A 53 -15.063 1.538 -11.565 1.00 3.69 O ATOM 735 ND2 ASN A 53 -12.945 0.918 -11.568 1.00 2.31 N ATOM 0 H ASN A 53 -12.940 0.950 -8.884 1.00 1.30 H new ATOM 0 HA ASN A 53 -13.803 3.665 -8.348 1.00 1.37 H new ATOM 0 HB2 ASN A 53 -14.004 3.826 -10.727 1.00 1.52 H new ATOM 0 HB3 ASN A 53 -12.477 3.065 -10.330 1.00 1.52 H new ATOM 0 HD21 ASN A 53 -13.154 0.103 -12.145 1.00 2.31 H new ATOM 0 HD22 ASN A 53 -11.987 1.097 -11.267 1.00 2.31 H new ATOM 742 N LYS A 54 -16.336 3.555 -8.951 1.00 1.76 N ATOM 743 CA LYS A 54 -17.806 3.471 -8.793 1.00 2.11 C ATOM 744 C LYS A 54 -18.552 4.401 -9.762 1.00 2.11 C ATOM 745 O LYS A 54 -19.631 4.921 -9.475 1.00 2.54 O ATOM 746 CB LYS A 54 -18.168 3.665 -7.307 1.00 2.68 C ATOM 747 CG LYS A 54 -19.439 2.886 -6.944 1.00 3.09 C ATOM 748 CD LYS A 54 -19.766 2.993 -5.449 1.00 3.82 C ATOM 749 CE LYS A 54 -21.064 2.234 -5.127 1.00 4.42 C ATOM 750 NZ LYS A 54 -22.277 3.037 -5.421 1.00 4.84 N ATOM 0 H LYS A 54 -15.995 4.478 -9.220 1.00 1.76 H new ATOM 0 HA LYS A 54 -18.150 2.477 -9.079 1.00 2.11 H new ATOM 0 HB2 LYS A 54 -17.341 3.330 -6.681 1.00 2.68 H new ATOM 0 HB3 LYS A 54 -18.315 4.725 -7.100 1.00 2.68 H new ATOM 0 HG2 LYS A 54 -20.277 3.266 -7.527 1.00 3.09 H new ATOM 0 HG3 LYS A 54 -19.312 1.838 -7.214 1.00 3.09 H new ATOM 0 HD2 LYS A 54 -18.944 2.586 -4.861 1.00 3.82 H new ATOM 0 HD3 LYS A 54 -19.871 4.041 -5.168 1.00 3.82 H new ATOM 0 HE2 LYS A 54 -21.094 1.310 -5.705 1.00 4.42 H new ATOM 0 HE3 LYS A 54 -21.065 1.952 -4.074 1.00 4.42 H new ATOM 0 HZ1 LYS A 54 -23.125 2.483 -5.188 1.00 4.84 H new ATOM 0 HZ2 LYS A 54 -22.264 3.907 -4.851 1.00 4.84 H new ATOM 0 HZ3 LYS A 54 -22.293 3.285 -6.431 1.00 4.84 H new ATOM 764 N SER A 55 -17.918 4.617 -10.911 1.00 1.87 N ATOM 765 CA SER A 55 -18.246 5.446 -12.074 1.00 1.97 C ATOM 766 C SER A 55 -17.024 5.434 -13.025 1.00 1.99 C ATOM 767 O SER A 55 -15.986 4.862 -12.688 1.00 2.39 O ATOM 768 CB SER A 55 -18.698 6.878 -11.720 1.00 2.36 C ATOM 769 OG SER A 55 -19.529 7.328 -12.773 1.00 2.61 O ATOM 0 H SER A 55 -17.029 4.144 -11.073 1.00 1.87 H new ATOM 0 HA SER A 55 -19.117 5.017 -12.569 1.00 1.97 H new ATOM 0 HB2 SER A 55 -19.238 6.888 -10.773 1.00 2.36 H new ATOM 0 HB3 SER A 55 -17.836 7.535 -11.602 1.00 2.36 H new ATOM 0 HG SER A 55 -19.837 8.238 -12.580 1.00 2.61 H new ATOM 775 N ASP A 56 -17.161 6.037 -14.204 1.00 2.10 N ATOM 776 CA ASP A 56 -16.407 5.770 -15.443 1.00 2.13 C ATOM 777 C ASP A 56 -14.981 6.383 -15.482 1.00 1.86 C ATOM 778 O ASP A 56 -14.488 6.790 -16.537 1.00 2.02 O ATOM 779 CB ASP A 56 -17.284 6.225 -16.639 1.00 2.61 C ATOM 780 CG ASP A 56 -18.804 6.119 -16.413 1.00 3.88 C ATOM 781 OD1 ASP A 56 -19.363 7.074 -15.828 1.00 5.06 O ATOM 782 OD2 ASP A 56 -19.429 5.105 -16.801 1.00 4.47 O ATOM 0 H ASP A 56 -17.849 6.779 -14.336 1.00 2.10 H new ATOM 0 HA ASP A 56 -16.212 4.699 -15.497 1.00 2.13 H new ATOM 0 HB2 ASP A 56 -17.039 7.260 -16.876 1.00 2.61 H new ATOM 0 HB3 ASP A 56 -17.020 5.627 -17.511 1.00 2.61 H new ATOM 787 N GLN A 57 -14.318 6.497 -14.325 1.00 1.78 N ATOM 788 CA GLN A 57 -13.028 7.175 -14.151 1.00 1.72 C ATOM 789 C GLN A 57 -11.918 6.160 -13.808 1.00 1.67 C ATOM 790 O GLN A 57 -11.927 5.615 -12.702 1.00 1.85 O ATOM 791 CB GLN A 57 -13.124 8.219 -13.020 1.00 1.96 C ATOM 792 CG GLN A 57 -14.205 9.303 -13.214 1.00 2.46 C ATOM 793 CD GLN A 57 -13.657 10.733 -13.137 1.00 3.22 C ATOM 794 OE1 GLN A 57 -13.618 11.491 -14.099 1.00 4.07 O ATOM 795 NE2 GLN A 57 -13.195 11.192 -11.985 1.00 3.76 N ATOM 0 H GLN A 57 -14.677 6.106 -13.454 1.00 1.78 H new ATOM 0 HA GLN A 57 -12.780 7.671 -15.089 1.00 1.72 H new ATOM 0 HB2 GLN A 57 -13.319 7.698 -12.083 1.00 1.96 H new ATOM 0 HB3 GLN A 57 -12.156 8.709 -12.917 1.00 1.96 H new ATOM 0 HG2 GLN A 57 -14.685 9.158 -14.182 1.00 2.46 H new ATOM 0 HG3 GLN A 57 -14.976 9.176 -12.454 1.00 2.46 H new ATOM 0 HE21 GLN A 57 -13.207 10.597 -11.157 1.00 3.76 H new ATOM 0 HE22 GLN A 57 -12.827 12.141 -11.925 1.00 3.76 H new ATOM 804 N PRO A 58 -10.933 5.925 -14.696 1.00 1.65 N ATOM 805 CA PRO A 58 -9.743 5.157 -14.355 1.00 1.77 C ATOM 806 C PRO A 58 -8.786 6.015 -13.516 1.00 1.79 C ATOM 807 O PRO A 58 -8.741 7.239 -13.642 1.00 2.24 O ATOM 808 CB PRO A 58 -9.132 4.743 -15.693 1.00 1.89 C ATOM 809 CG PRO A 58 -9.498 5.912 -16.612 1.00 1.85 C ATOM 810 CD PRO A 58 -10.854 6.387 -16.078 1.00 1.69 C ATOM 0 HA PRO A 58 -9.965 4.279 -13.749 1.00 1.77 H new ATOM 0 HB2 PRO A 58 -8.053 4.609 -15.620 1.00 1.89 H new ATOM 0 HB3 PRO A 58 -9.547 3.801 -16.052 1.00 1.89 H new ATOM 0 HG2 PRO A 58 -8.751 6.704 -16.568 1.00 1.85 H new ATOM 0 HG3 PRO A 58 -9.566 5.596 -17.653 1.00 1.85 H new ATOM 0 HD2 PRO A 58 -10.934 7.473 -16.130 1.00 1.69 H new ATOM 0 HD3 PRO A 58 -11.671 5.978 -16.672 1.00 1.69 H new ATOM 818 N ILE A 59 -8.005 5.358 -12.656 1.00 1.64 N ATOM 819 CA ILE A 59 -7.029 5.987 -11.757 1.00 1.77 C ATOM 820 C ILE A 59 -5.677 5.295 -11.952 1.00 1.77 C ATOM 821 O ILE A 59 -5.641 4.095 -12.211 1.00 2.22 O ATOM 822 CB ILE A 59 -7.512 5.898 -10.286 1.00 2.22 C ATOM 823 CG1 ILE A 59 -8.933 6.468 -10.041 1.00 2.81 C ATOM 824 CG2 ILE A 59 -6.512 6.565 -9.321 1.00 2.38 C ATOM 825 CD1 ILE A 59 -9.091 7.978 -10.262 1.00 2.93 C ATOM 0 H ILE A 59 -8.033 4.343 -12.561 1.00 1.64 H new ATOM 0 HA ILE A 59 -6.924 7.046 -11.993 1.00 1.77 H new ATOM 0 HB ILE A 59 -7.567 4.829 -10.081 1.00 2.22 H new ATOM 0 HG12 ILE A 59 -9.631 5.948 -10.697 1.00 2.81 H new ATOM 0 HG13 ILE A 59 -9.226 6.237 -9.017 1.00 2.81 H new ATOM 0 HG21 ILE A 59 -6.883 6.484 -8.299 1.00 2.38 H new ATOM 0 HG22 ILE A 59 -5.546 6.067 -9.397 1.00 2.38 H new ATOM 0 HG23 ILE A 59 -6.399 7.617 -9.583 1.00 2.38 H new ATOM 0 HD11 ILE A 59 -10.122 8.269 -10.063 1.00 2.93 H new ATOM 0 HD12 ILE A 59 -8.426 8.516 -9.587 1.00 2.93 H new ATOM 0 HD13 ILE A 59 -8.837 8.223 -11.293 1.00 2.93 H new ATOM 837 N LYS A 60 -4.566 6.035 -11.827 1.00 1.63 N ATOM 838 CA LYS A 60 -3.197 5.524 -12.046 1.00 1.84 C ATOM 839 C LYS A 60 -2.179 6.024 -11.014 1.00 1.54 C ATOM 840 O LYS A 60 -2.222 7.191 -10.621 1.00 1.63 O ATOM 841 CB LYS A 60 -2.736 5.820 -13.488 1.00 2.41 C ATOM 842 CG LYS A 60 -2.682 7.323 -13.823 1.00 3.05 C ATOM 843 CD LYS A 60 -2.759 7.596 -15.334 1.00 3.81 C ATOM 844 CE LYS A 60 -2.822 9.115 -15.539 1.00 4.50 C ATOM 845 NZ LYS A 60 -3.374 9.504 -16.857 1.00 5.08 N ATOM 0 H LYS A 60 -4.589 7.021 -11.567 1.00 1.63 H new ATOM 0 HA LYS A 60 -3.242 4.444 -11.904 1.00 1.84 H new ATOM 0 HB2 LYS A 60 -1.747 5.387 -13.640 1.00 2.41 H new ATOM 0 HB3 LYS A 60 -3.412 5.325 -14.185 1.00 2.41 H new ATOM 0 HG2 LYS A 60 -3.506 7.832 -13.323 1.00 3.05 H new ATOM 0 HG3 LYS A 60 -1.759 7.746 -13.428 1.00 3.05 H new ATOM 0 HD2 LYS A 60 -1.889 7.179 -15.841 1.00 3.81 H new ATOM 0 HD3 LYS A 60 -3.639 7.117 -15.763 1.00 3.81 H new ATOM 0 HE2 LYS A 60 -3.433 9.556 -14.752 1.00 4.50 H new ATOM 0 HE3 LYS A 60 -1.820 9.531 -15.435 1.00 4.50 H new ATOM 0 HZ1 LYS A 60 -3.390 10.541 -16.934 1.00 5.08 H new ATOM 0 HZ2 LYS A 60 -2.778 9.110 -17.613 1.00 5.08 H new ATOM 0 HZ3 LYS A 60 -4.342 9.135 -16.951 1.00 5.08 H new ATOM 859 N LEU A 61 -1.235 5.160 -10.622 1.00 1.64 N ATOM 860 CA LEU A 61 -0.188 5.397 -9.613 1.00 1.56 C ATOM 861 C LEU A 61 0.712 4.148 -9.561 1.00 1.59 C ATOM 862 O LEU A 61 0.368 3.105 -10.123 1.00 2.04 O ATOM 863 CB LEU A 61 -0.811 5.722 -8.218 1.00 1.63 C ATOM 864 CG LEU A 61 -0.332 6.942 -7.418 1.00 1.95 C ATOM 865 CD1 LEU A 61 1.173 6.865 -7.165 1.00 3.74 C ATOM 866 CD2 LEU A 61 -0.732 8.268 -8.067 1.00 3.05 C ATOM 0 H LEU A 61 -1.175 4.223 -11.021 1.00 1.64 H new ATOM 0 HA LEU A 61 0.410 6.266 -9.888 1.00 1.56 H new ATOM 0 HB2 LEU A 61 -1.886 5.834 -8.363 1.00 1.63 H new ATOM 0 HB3 LEU A 61 -0.664 4.845 -7.587 1.00 1.63 H new ATOM 0 HG LEU A 61 -0.841 6.915 -6.454 1.00 1.95 H new ATOM 0 HD11 LEU A 61 1.492 7.739 -6.597 1.00 3.74 H new ATOM 0 HD12 LEU A 61 1.401 5.962 -6.599 1.00 3.74 H new ATOM 0 HD13 LEU A 61 1.701 6.840 -8.118 1.00 3.74 H new ATOM 0 HD21 LEU A 61 -0.367 9.096 -7.459 1.00 3.05 H new ATOM 0 HD22 LEU A 61 -0.296 8.331 -9.064 1.00 3.05 H new ATOM 0 HD23 LEU A 61 -1.818 8.324 -8.141 1.00 3.05 H new ATOM 878 N VAL A 62 1.820 4.249 -8.830 1.00 1.40 N ATOM 879 CA VAL A 62 2.693 3.123 -8.468 1.00 1.48 C ATOM 880 C VAL A 62 2.081 2.417 -7.246 1.00 1.53 C ATOM 881 O VAL A 62 1.426 1.390 -7.393 1.00 2.51 O ATOM 882 CB VAL A 62 4.152 3.582 -8.213 1.00 1.87 C ATOM 883 CG1 VAL A 62 5.074 2.394 -7.900 1.00 3.41 C ATOM 884 CG2 VAL A 62 4.715 4.347 -9.425 1.00 2.11 C ATOM 0 H VAL A 62 2.149 5.141 -8.460 1.00 1.40 H new ATOM 0 HA VAL A 62 2.752 2.420 -9.299 1.00 1.48 H new ATOM 0 HB VAL A 62 4.123 4.244 -7.348 1.00 1.87 H new ATOM 0 HG11 VAL A 62 6.088 2.756 -7.727 1.00 3.41 H new ATOM 0 HG12 VAL A 62 4.715 1.880 -7.008 1.00 3.41 H new ATOM 0 HG13 VAL A 62 5.074 1.702 -8.742 1.00 3.41 H new ATOM 0 HG21 VAL A 62 5.739 4.656 -9.216 1.00 2.11 H new ATOM 0 HG22 VAL A 62 4.703 3.699 -10.302 1.00 2.11 H new ATOM 0 HG23 VAL A 62 4.102 5.228 -9.616 1.00 2.11 H new ATOM 894 N GLY A 63 2.217 3.001 -6.045 1.00 1.38 N ATOM 895 CA GLY A 63 1.653 2.447 -4.809 1.00 1.43 C ATOM 896 C GLY A 63 2.031 3.246 -3.564 1.00 1.17 C ATOM 897 O GLY A 63 2.547 4.357 -3.679 1.00 1.33 O ATOM 0 H GLY A 63 2.724 3.875 -5.906 1.00 1.38 H new ATOM 0 HA2 GLY A 63 0.567 2.414 -4.896 1.00 1.43 H new ATOM 0 HA3 GLY A 63 1.995 1.419 -4.690 1.00 1.43 H new ATOM 901 N ALA A 64 1.725 2.694 -2.385 1.00 1.30 N ATOM 902 CA ALA A 64 1.983 3.322 -1.089 1.00 1.23 C ATOM 903 C ALA A 64 3.325 2.876 -0.486 1.00 1.23 C ATOM 904 O ALA A 64 3.569 1.683 -0.298 1.00 1.58 O ATOM 905 CB ALA A 64 0.800 3.044 -0.154 1.00 1.54 C ATOM 0 H ALA A 64 1.282 1.779 -2.306 1.00 1.30 H new ATOM 0 HA ALA A 64 2.073 4.399 -1.228 1.00 1.23 H new ATOM 0 HB1 ALA A 64 0.985 3.509 0.814 1.00 1.54 H new ATOM 0 HB2 ALA A 64 -0.111 3.457 -0.587 1.00 1.54 H new ATOM 0 HB3 ALA A 64 0.684 1.968 -0.024 1.00 1.54 H new ATOM 911 N ALA A 65 4.165 3.855 -0.146 1.00 0.98 N ATOM 912 CA ALA A 65 5.469 3.684 0.504 1.00 0.97 C ATOM 913 C ALA A 65 5.530 4.468 1.830 1.00 0.95 C ATOM 914 O ALA A 65 4.616 5.231 2.156 1.00 0.90 O ATOM 915 CB ALA A 65 6.559 4.126 -0.487 1.00 1.06 C ATOM 0 H ALA A 65 3.946 4.835 -0.324 1.00 0.98 H new ATOM 0 HA ALA A 65 5.630 2.638 0.765 1.00 0.97 H new ATOM 0 HB1 ALA A 65 7.540 4.008 -0.026 1.00 1.06 H new ATOM 0 HB2 ALA A 65 6.504 3.512 -1.386 1.00 1.06 H new ATOM 0 HB3 ALA A 65 6.407 5.172 -0.753 1.00 1.06 H new ATOM 921 N THR A 66 6.604 4.296 2.619 1.00 1.08 N ATOM 922 CA THR A 66 6.717 4.895 3.965 1.00 1.17 C ATOM 923 C THR A 66 8.156 4.860 4.498 1.00 1.33 C ATOM 924 O THR A 66 8.802 3.819 4.368 1.00 1.39 O ATOM 925 CB THR A 66 5.722 4.236 4.937 1.00 1.22 C ATOM 926 OG1 THR A 66 5.844 4.840 6.201 1.00 1.49 O ATOM 927 CG2 THR A 66 5.894 2.723 5.105 1.00 1.36 C ATOM 0 H THR A 66 7.415 3.741 2.346 1.00 1.08 H new ATOM 0 HA THR A 66 6.453 5.949 3.882 1.00 1.17 H new ATOM 0 HB THR A 66 4.736 4.388 4.497 1.00 1.22 H new ATOM 0 HG1 THR A 66 5.211 4.425 6.824 1.00 1.49 H new ATOM 0 HG21 THR A 66 5.150 2.348 5.808 1.00 1.36 H new ATOM 0 HG22 THR A 66 5.762 2.233 4.141 1.00 1.36 H new ATOM 0 HG23 THR A 66 6.893 2.510 5.486 1.00 1.36 H new ATOM 935 N PRO A 67 8.664 5.951 5.115 1.00 1.45 N ATOM 936 CA PRO A 67 10.007 6.024 5.696 1.00 1.51 C ATOM 937 C PRO A 67 10.078 5.520 7.153 1.00 1.46 C ATOM 938 O PRO A 67 11.104 5.702 7.809 1.00 1.46 O ATOM 939 CB PRO A 67 10.383 7.507 5.589 1.00 1.66 C ATOM 940 CG PRO A 67 9.050 8.204 5.847 1.00 1.69 C ATOM 941 CD PRO A 67 8.048 7.276 5.159 1.00 1.55 C ATOM 0 HA PRO A 67 10.700 5.370 5.167 1.00 1.51 H new ATOM 0 HB2 PRO A 67 11.137 7.789 6.324 1.00 1.66 H new ATOM 0 HB3 PRO A 67 10.787 7.754 4.607 1.00 1.66 H new ATOM 0 HG2 PRO A 67 8.844 8.303 6.913 1.00 1.69 H new ATOM 0 HG3 PRO A 67 9.029 9.208 5.423 1.00 1.69 H new ATOM 0 HD2 PRO A 67 7.107 7.247 5.708 1.00 1.55 H new ATOM 0 HD3 PRO A 67 7.820 7.630 4.154 1.00 1.55 H new ATOM 949 N LEU A 68 9.013 4.906 7.691 1.00 1.48 N ATOM 950 CA LEU A 68 8.995 4.363 9.061 1.00 1.47 C ATOM 951 C LEU A 68 9.739 3.016 9.191 1.00 1.41 C ATOM 952 O LEU A 68 10.079 2.583 10.296 1.00 1.58 O ATOM 953 CB LEU A 68 7.531 4.266 9.529 1.00 1.60 C ATOM 954 CG LEU A 68 6.791 5.623 9.561 1.00 1.72 C ATOM 955 CD1 LEU A 68 5.324 5.392 9.927 1.00 3.25 C ATOM 956 CD2 LEU A 68 7.424 6.614 10.552 1.00 2.41 C ATOM 0 H LEU A 68 8.136 4.771 7.188 1.00 1.48 H new ATOM 0 HA LEU A 68 9.544 5.044 9.712 1.00 1.47 H new ATOM 0 HB2 LEU A 68 6.993 3.586 8.868 1.00 1.60 H new ATOM 0 HB3 LEU A 68 7.507 3.827 10.526 1.00 1.60 H new ATOM 0 HG LEU A 68 6.870 6.065 8.568 1.00 1.72 H new ATOM 0 HD11 LEU A 68 4.800 6.347 9.950 1.00 3.25 H new ATOM 0 HD12 LEU A 68 4.862 4.742 9.184 1.00 3.25 H new ATOM 0 HD13 LEU A 68 5.264 4.921 10.908 1.00 3.25 H new ATOM 0 HD21 LEU A 68 6.867 7.551 10.536 1.00 2.41 H new ATOM 0 HD22 LEU A 68 7.396 6.192 11.557 1.00 2.41 H new ATOM 0 HD23 LEU A 68 8.459 6.803 10.267 1.00 2.41 H new ATOM 968 N ALA A 69 10.044 2.388 8.055 1.00 1.30 N ATOM 969 CA ALA A 69 10.983 1.280 7.930 1.00 1.26 C ATOM 970 C ALA A 69 12.430 1.796 7.845 1.00 1.40 C ATOM 971 O ALA A 69 12.663 2.972 7.554 1.00 1.93 O ATOM 972 CB ALA A 69 10.590 0.494 6.673 1.00 1.39 C ATOM 0 H ALA A 69 9.625 2.650 7.163 1.00 1.30 H new ATOM 0 HA ALA A 69 10.939 0.633 8.806 1.00 1.26 H new ATOM 0 HB1 ALA A 69 11.271 -0.347 6.542 1.00 1.39 H new ATOM 0 HB2 ALA A 69 9.571 0.123 6.780 1.00 1.39 H new ATOM 0 HB3 ALA A 69 10.649 1.147 5.802 1.00 1.39 H new ATOM 978 N THR A 70 13.399 0.894 8.026 1.00 1.32 N ATOM 979 CA THR A 70 14.771 1.090 7.537 1.00 1.34 C ATOM 980 C THR A 70 14.818 0.753 6.050 1.00 1.14 C ATOM 981 O THR A 70 15.415 1.484 5.270 1.00 1.21 O ATOM 982 CB THR A 70 15.771 0.271 8.363 1.00 1.51 C ATOM 983 OG1 THR A 70 15.609 0.604 9.726 1.00 2.03 O ATOM 984 CG2 THR A 70 17.215 0.604 7.990 1.00 1.67 C ATOM 0 H THR A 70 13.257 0.009 8.514 1.00 1.32 H new ATOM 0 HA THR A 70 15.065 2.132 7.659 1.00 1.34 H new ATOM 0 HB THR A 70 15.580 -0.784 8.168 1.00 1.51 H new ATOM 0 HG1 THR A 70 14.769 0.224 10.058 1.00 2.03 H new ATOM 0 HG21 THR A 70 17.895 0.005 8.596 1.00 1.67 H new ATOM 0 HG22 THR A 70 17.378 0.383 6.935 1.00 1.67 H new ATOM 0 HG23 THR A 70 17.403 1.662 8.173 1.00 1.67 H new ATOM 992 N SER A 71 14.093 -0.291 5.642 1.00 1.08 N ATOM 993 CA SER A 71 13.919 -0.680 4.239 1.00 1.08 C ATOM 994 C SER A 71 12.422 -0.894 3.906 1.00 1.01 C ATOM 995 O SER A 71 11.840 -1.886 4.359 1.00 1.00 O ATOM 996 CB SER A 71 14.685 -1.992 3.980 1.00 1.14 C ATOM 997 OG SER A 71 16.091 -1.797 4.011 1.00 1.98 O ATOM 0 H SER A 71 13.599 -0.903 6.291 1.00 1.08 H new ATOM 0 HA SER A 71 14.306 0.119 3.606 1.00 1.08 H new ATOM 0 HB2 SER A 71 14.404 -2.731 4.730 1.00 1.14 H new ATOM 0 HB3 SER A 71 14.395 -2.396 3.010 1.00 1.14 H new ATOM 0 HG SER A 71 16.543 -2.650 3.845 1.00 1.98 H new ATOM 1003 N PRO A 72 11.766 -0.025 3.109 1.00 1.01 N ATOM 1004 CA PRO A 72 10.461 -0.342 2.533 1.00 1.00 C ATOM 1005 C PRO A 72 10.632 -1.345 1.380 1.00 1.00 C ATOM 1006 O PRO A 72 11.538 -1.207 0.556 1.00 1.26 O ATOM 1007 CB PRO A 72 9.873 0.996 2.078 1.00 1.04 C ATOM 1008 CG PRO A 72 11.108 1.841 1.762 1.00 1.09 C ATOM 1009 CD PRO A 72 12.168 1.327 2.739 1.00 1.07 C ATOM 0 HA PRO A 72 9.786 -0.819 3.243 1.00 1.00 H new ATOM 0 HB2 PRO A 72 9.234 0.877 1.203 1.00 1.04 H new ATOM 0 HB3 PRO A 72 9.263 1.452 2.858 1.00 1.04 H new ATOM 0 HG2 PRO A 72 11.424 1.714 0.727 1.00 1.09 H new ATOM 0 HG3 PRO A 72 10.913 2.903 1.908 1.00 1.09 H new ATOM 0 HD2 PRO A 72 13.155 1.326 2.276 1.00 1.07 H new ATOM 0 HD3 PRO A 72 12.229 1.968 3.618 1.00 1.07 H new ATOM 1017 N MET A 73 9.755 -2.354 1.320 1.00 0.81 N ATOM 1018 CA MET A 73 9.823 -3.471 0.367 1.00 0.79 C ATOM 1019 C MET A 73 8.465 -3.678 -0.310 1.00 0.76 C ATOM 1020 O MET A 73 7.474 -3.939 0.372 1.00 0.87 O ATOM 1021 CB MET A 73 10.253 -4.732 1.137 1.00 0.87 C ATOM 1022 CG MET A 73 10.314 -6.021 0.300 1.00 1.12 C ATOM 1023 SD MET A 73 11.877 -6.399 -0.548 1.00 1.97 S ATOM 1024 CE MET A 73 11.918 -5.172 -1.877 1.00 3.13 C ATOM 0 H MET A 73 8.956 -2.419 1.950 1.00 0.81 H new ATOM 0 HA MET A 73 10.548 -3.255 -0.417 1.00 0.79 H new ATOM 0 HB2 MET A 73 11.236 -4.554 1.573 1.00 0.87 H new ATOM 0 HB3 MET A 73 9.560 -4.887 1.964 1.00 0.87 H new ATOM 0 HG2 MET A 73 10.076 -6.859 0.955 1.00 1.12 H new ATOM 0 HG3 MET A 73 9.527 -5.971 -0.452 1.00 1.12 H new ATOM 0 HE1 MET A 73 12.519 -5.551 -2.704 1.00 3.13 H new ATOM 0 HE2 MET A 73 10.903 -4.978 -2.225 1.00 3.13 H new ATOM 0 HE3 MET A 73 12.357 -4.246 -1.504 1.00 3.13 H new ATOM 1034 N LEU A 74 8.423 -3.580 -1.643 1.00 0.89 N ATOM 1035 CA LEU A 74 7.206 -3.485 -2.452 1.00 0.98 C ATOM 1036 C LEU A 74 6.925 -4.761 -3.288 1.00 0.94 C ATOM 1037 O LEU A 74 7.636 -5.082 -4.247 1.00 1.08 O ATOM 1038 CB LEU A 74 7.245 -2.181 -3.291 1.00 1.29 C ATOM 1039 CG LEU A 74 8.566 -1.563 -3.829 1.00 2.11 C ATOM 1040 CD1 LEU A 74 9.325 -0.745 -2.768 1.00 2.11 C ATOM 1041 CD2 LEU A 74 9.519 -2.561 -4.503 1.00 3.82 C ATOM 0 H LEU A 74 9.271 -3.564 -2.209 1.00 0.89 H new ATOM 0 HA LEU A 74 6.348 -3.426 -1.782 1.00 0.98 H new ATOM 0 HB2 LEU A 74 6.607 -2.351 -4.158 1.00 1.29 H new ATOM 0 HB3 LEU A 74 6.765 -1.410 -2.688 1.00 1.29 H new ATOM 0 HG LEU A 74 8.220 -0.886 -4.611 1.00 2.11 H new ATOM 0 HD11 LEU A 74 10.238 -0.340 -3.205 1.00 2.11 H new ATOM 0 HD12 LEU A 74 8.695 0.074 -2.420 1.00 2.11 H new ATOM 0 HD13 LEU A 74 9.580 -1.389 -1.926 1.00 2.11 H new ATOM 0 HD21 LEU A 74 10.411 -2.037 -4.846 1.00 3.82 H new ATOM 0 HD22 LEU A 74 9.803 -3.333 -3.788 1.00 3.82 H new ATOM 0 HD23 LEU A 74 9.020 -3.022 -5.355 1.00 3.82 H new ATOM 1053 N MET A 75 5.865 -5.486 -2.919 1.00 0.97 N ATOM 1054 CA MET A 75 5.526 -6.850 -3.364 1.00 1.23 C ATOM 1055 C MET A 75 4.261 -6.915 -4.247 1.00 1.22 C ATOM 1056 O MET A 75 3.399 -6.043 -4.150 1.00 1.86 O ATOM 1057 CB MET A 75 5.335 -7.691 -2.084 1.00 1.80 C ATOM 1058 CG MET A 75 5.009 -9.174 -2.311 1.00 2.60 C ATOM 1059 SD MET A 75 6.204 -10.099 -3.308 1.00 2.95 S ATOM 1060 CE MET A 75 7.378 -10.510 -1.992 1.00 3.20 C ATOM 0 H MET A 75 5.176 -5.119 -2.262 1.00 0.97 H new ATOM 0 HA MET A 75 6.330 -7.231 -3.994 1.00 1.23 H new ATOM 0 HB2 MET A 75 6.244 -7.624 -1.487 1.00 1.80 H new ATOM 0 HB3 MET A 75 4.533 -7.247 -1.494 1.00 1.80 H new ATOM 0 HG2 MET A 75 4.921 -9.660 -1.339 1.00 2.60 H new ATOM 0 HG3 MET A 75 4.033 -9.243 -2.791 1.00 2.60 H new ATOM 0 HE1 MET A 75 8.202 -11.089 -2.408 1.00 3.20 H new ATOM 0 HE2 MET A 75 7.766 -9.592 -1.551 1.00 3.20 H new ATOM 0 HE3 MET A 75 6.873 -11.097 -1.224 1.00 3.20 H new ATOM 1070 N THR A 76 4.136 -8.008 -5.020 1.00 1.36 N ATOM 1071 CA THR A 76 2.884 -8.525 -5.604 1.00 1.40 C ATOM 1072 C THR A 76 3.012 -9.966 -6.065 1.00 1.76 C ATOM 1073 O THR A 76 4.008 -10.339 -6.673 1.00 2.19 O ATOM 1074 CB THR A 76 2.261 -7.625 -6.682 1.00 1.86 C ATOM 1075 OG1 THR A 76 1.195 -8.329 -7.272 1.00 2.49 O ATOM 1076 CG2 THR A 76 3.227 -7.244 -7.803 1.00 2.81 C ATOM 0 H THR A 76 4.942 -8.582 -5.267 1.00 1.36 H new ATOM 0 HA THR A 76 2.171 -8.508 -4.780 1.00 1.40 H new ATOM 0 HB THR A 76 1.953 -6.705 -6.186 1.00 1.86 H new ATOM 0 HG1 THR A 76 0.397 -7.760 -7.290 1.00 2.49 H new ATOM 0 HG21 THR A 76 2.714 -6.608 -8.525 1.00 2.81 H new ATOM 0 HG22 THR A 76 4.076 -6.705 -7.384 1.00 2.81 H new ATOM 0 HG23 THR A 76 3.581 -8.147 -8.301 1.00 2.81 H new ATOM 1084 N THR A 77 1.987 -10.778 -5.797 1.00 1.78 N ATOM 1085 CA THR A 77 1.831 -12.140 -6.286 1.00 2.13 C ATOM 1086 C THR A 77 0.372 -12.429 -6.665 1.00 2.28 C ATOM 1087 O THR A 77 -0.215 -13.415 -6.224 1.00 3.62 O ATOM 1088 CB THR A 77 2.383 -13.136 -5.271 1.00 2.41 C ATOM 1089 OG1 THR A 77 1.934 -12.877 -3.962 1.00 2.91 O ATOM 1090 CG2 THR A 77 3.911 -13.216 -5.244 1.00 3.23 C ATOM 0 H THR A 77 1.210 -10.485 -5.205 1.00 1.78 H new ATOM 0 HA THR A 77 2.414 -12.254 -7.200 1.00 2.13 H new ATOM 0 HB THR A 77 1.995 -14.095 -5.616 1.00 2.41 H new ATOM 0 HG1 THR A 77 2.312 -13.541 -3.349 1.00 2.91 H new ATOM 0 HG21 THR A 77 4.224 -13.946 -4.497 1.00 3.23 H new ATOM 0 HG22 THR A 77 4.277 -13.521 -6.225 1.00 3.23 H new ATOM 0 HG23 THR A 77 4.322 -12.239 -4.991 1.00 3.23 H new ATOM 1098 N THR A 78 -0.224 -11.582 -7.511 1.00 1.91 N ATOM 1099 CA THR A 78 -1.538 -11.851 -8.121 1.00 1.99 C ATOM 1100 C THR A 78 -1.512 -11.668 -9.629 1.00 1.85 C ATOM 1101 O THR A 78 -0.568 -11.137 -10.212 1.00 3.02 O ATOM 1102 CB THR A 78 -2.664 -11.061 -7.436 1.00 3.59 C ATOM 1103 OG1 THR A 78 -3.893 -11.633 -7.828 1.00 3.88 O ATOM 1104 CG2 THR A 78 -2.693 -9.580 -7.789 1.00 5.05 C ATOM 0 H THR A 78 0.186 -10.692 -7.794 1.00 1.91 H new ATOM 0 HA THR A 78 -1.765 -12.903 -7.950 1.00 1.99 H new ATOM 0 HB THR A 78 -2.487 -11.121 -6.362 1.00 3.59 H new ATOM 0 HG1 THR A 78 -4.630 -11.147 -7.402 1.00 3.88 H new ATOM 0 HG21 THR A 78 -3.517 -9.097 -7.264 1.00 5.05 H new ATOM 0 HG22 THR A 78 -1.752 -9.117 -7.492 1.00 5.05 H new ATOM 0 HG23 THR A 78 -2.831 -9.465 -8.864 1.00 5.05 H new ATOM 1112 N HIS A 79 -2.563 -12.164 -10.260 1.00 1.77 N ATOM 1113 CA HIS A 79 -2.965 -11.876 -11.627 1.00 2.83 C ATOM 1114 C HIS A 79 -4.454 -11.481 -11.577 1.00 2.83 C ATOM 1115 O HIS A 79 -5.301 -12.284 -11.189 1.00 3.76 O ATOM 1116 CB HIS A 79 -2.753 -13.124 -12.518 1.00 4.32 C ATOM 1117 CG HIS A 79 -1.353 -13.707 -12.607 1.00 5.57 C ATOM 1118 ND1 HIS A 79 -0.197 -13.245 -12.020 1.00 6.93 N ATOM 1119 CD2 HIS A 79 -1.010 -14.842 -13.291 1.00 6.37 C ATOM 1120 CE1 HIS A 79 0.808 -14.076 -12.332 1.00 8.32 C ATOM 1121 NE2 HIS A 79 0.356 -15.088 -13.092 1.00 7.98 N ATOM 0 H HIS A 79 -3.198 -12.819 -9.803 1.00 1.77 H new ATOM 0 HA HIS A 79 -2.369 -11.070 -12.055 1.00 2.83 H new ATOM 0 HB2 HIS A 79 -3.419 -13.908 -12.158 1.00 4.32 H new ATOM 0 HB3 HIS A 79 -3.074 -12.871 -13.528 1.00 4.32 H new ATOM 0 HD1 HIS A 79 -0.118 -12.408 -11.443 1.00 6.93 H new ATOM 0 HD2 HIS A 79 -1.679 -15.447 -13.885 1.00 6.37 H new ATOM 0 HE1 HIS A 79 1.834 -13.950 -12.018 1.00 8.32 H new ATOM 1129 N SER A 80 -4.802 -10.246 -11.929 1.00 2.54 N ATOM 1130 CA SER A 80 -6.190 -9.785 -12.093 1.00 2.91 C ATOM 1131 C SER A 80 -6.549 -9.624 -13.588 1.00 3.29 C ATOM 1132 O SER A 80 -5.849 -10.141 -14.464 1.00 4.29 O ATOM 1133 CB SER A 80 -6.395 -8.484 -11.289 1.00 3.08 C ATOM 1134 OG SER A 80 -6.057 -8.645 -9.918 1.00 3.88 O ATOM 0 H SER A 80 -4.115 -9.516 -12.114 1.00 2.54 H new ATOM 0 HA SER A 80 -6.874 -10.535 -11.697 1.00 2.91 H new ATOM 0 HB2 SER A 80 -5.785 -7.691 -11.722 1.00 3.08 H new ATOM 0 HB3 SER A 80 -7.435 -8.167 -11.371 1.00 3.08 H new ATOM 0 HG SER A 80 -6.199 -7.799 -9.445 1.00 3.88 H new ATOM 1140 N GLY A 81 -7.647 -8.922 -13.913 1.00 3.06 N ATOM 1141 CA GLY A 81 -8.202 -8.905 -15.273 1.00 3.76 C ATOM 1142 C GLY A 81 -7.304 -8.240 -16.319 1.00 3.71 C ATOM 1143 O GLY A 81 -7.311 -8.676 -17.472 1.00 4.76 O ATOM 0 H GLY A 81 -8.170 -8.355 -13.245 1.00 3.06 H new ATOM 0 HA2 GLY A 81 -8.401 -9.931 -15.583 1.00 3.76 H new ATOM 0 HA3 GLY A 81 -9.161 -8.387 -15.254 1.00 3.76 H new ATOM 1147 N GLY A 82 -6.533 -7.215 -15.928 1.00 3.25 N ATOM 1148 CA GLY A 82 -5.651 -6.438 -16.819 1.00 3.76 C ATOM 1149 C GLY A 82 -4.222 -6.206 -16.312 1.00 3.51 C ATOM 1150 O GLY A 82 -3.411 -5.644 -17.049 1.00 4.13 O ATOM 0 H GLY A 82 -6.503 -6.893 -14.960 1.00 3.25 H new ATOM 0 HA2 GLY A 82 -5.596 -6.949 -17.780 1.00 3.76 H new ATOM 0 HA3 GLY A 82 -6.113 -5.468 -17.000 1.00 3.76 H new ATOM 1154 N MET A 83 -3.910 -6.628 -15.080 1.00 2.83 N ATOM 1155 CA MET A 83 -2.623 -6.430 -14.393 1.00 2.74 C ATOM 1156 C MET A 83 -2.226 -7.691 -13.617 1.00 2.34 C ATOM 1157 O MET A 83 -3.064 -8.297 -12.948 1.00 2.11 O ATOM 1158 CB MET A 83 -2.703 -5.238 -13.424 1.00 2.76 C ATOM 1159 CG MET A 83 -2.584 -3.880 -14.123 1.00 3.38 C ATOM 1160 SD MET A 83 -0.962 -3.586 -14.885 1.00 4.18 S ATOM 1161 CE MET A 83 -1.113 -1.814 -15.209 1.00 5.24 C ATOM 0 H MET A 83 -4.579 -7.142 -14.506 1.00 2.83 H new ATOM 0 HA MET A 83 -1.868 -6.224 -15.151 1.00 2.74 H new ATOM 0 HB2 MET A 83 -3.649 -5.280 -12.885 1.00 2.76 H new ATOM 0 HB3 MET A 83 -1.909 -5.328 -12.682 1.00 2.76 H new ATOM 0 HG2 MET A 83 -3.354 -3.809 -14.891 1.00 3.38 H new ATOM 0 HG3 MET A 83 -2.783 -3.090 -13.398 1.00 3.38 H new ATOM 0 HE1 MET A 83 -0.431 -1.531 -16.010 1.00 5.24 H new ATOM 0 HE2 MET A 83 -2.136 -1.584 -15.506 1.00 5.24 H new ATOM 0 HE3 MET A 83 -0.863 -1.256 -14.306 1.00 5.24 H new ATOM 1171 N ALA A 84 -0.962 -8.096 -13.730 1.00 2.58 N ATOM 1172 CA ALA A 84 -0.429 -9.386 -13.291 1.00 2.24 C ATOM 1173 C ALA A 84 1.104 -9.351 -13.329 1.00 2.35 C ATOM 1174 O ALA A 84 1.667 -8.675 -14.188 1.00 2.80 O ATOM 1175 CB ALA A 84 -0.958 -10.468 -14.248 1.00 2.44 C ATOM 0 H ALA A 84 -0.246 -7.504 -14.151 1.00 2.58 H new ATOM 0 HA ALA A 84 -0.743 -9.603 -12.270 1.00 2.24 H new ATOM 0 HB1 ALA A 84 -0.575 -11.442 -13.943 1.00 2.44 H new ATOM 0 HB2 ALA A 84 -2.047 -10.480 -14.217 1.00 2.44 H new ATOM 0 HB3 ALA A 84 -0.627 -10.249 -15.263 1.00 2.44 H new ATOM 1181 N GLY A 85 1.795 -10.092 -12.454 1.00 2.16 N ATOM 1182 CA GLY A 85 3.256 -10.154 -12.482 1.00 2.47 C ATOM 1183 C GLY A 85 3.832 -10.984 -11.349 1.00 2.03 C ATOM 1184 O GLY A 85 3.144 -11.807 -10.748 1.00 2.21 O ATOM 0 H GLY A 85 1.364 -10.655 -11.720 1.00 2.16 H new ATOM 0 HA2 GLY A 85 3.579 -10.574 -13.435 1.00 2.47 H new ATOM 0 HA3 GLY A 85 3.659 -9.143 -12.427 1.00 2.47 H new ATOM 1188 N MET A 86 5.110 -10.755 -11.073 1.00 2.27 N ATOM 1189 CA MET A 86 5.886 -11.498 -10.082 1.00 2.16 C ATOM 1190 C MET A 86 6.783 -10.579 -9.248 1.00 2.07 C ATOM 1191 O MET A 86 7.803 -10.069 -9.692 1.00 2.88 O ATOM 1192 CB MET A 86 6.674 -12.653 -10.739 1.00 3.02 C ATOM 1193 CG MET A 86 7.448 -12.328 -12.027 1.00 3.88 C ATOM 1194 SD MET A 86 6.445 -12.329 -13.541 1.00 4.70 S ATOM 1195 CE MET A 86 7.772 -12.468 -14.760 1.00 6.32 C ATOM 0 H MET A 86 5.651 -10.029 -11.543 1.00 2.27 H new ATOM 0 HA MET A 86 5.180 -11.949 -9.384 1.00 2.16 H new ATOM 0 HB2 MET A 86 7.383 -13.039 -10.006 1.00 3.02 H new ATOM 0 HB3 MET A 86 5.973 -13.458 -10.959 1.00 3.02 H new ATOM 0 HG2 MET A 86 7.913 -11.348 -11.917 1.00 3.88 H new ATOM 0 HG3 MET A 86 8.254 -13.052 -12.142 1.00 3.88 H new ATOM 0 HE1 MET A 86 7.345 -12.484 -15.763 1.00 6.32 H new ATOM 0 HE2 MET A 86 8.444 -11.615 -14.665 1.00 6.32 H new ATOM 0 HE3 MET A 86 8.329 -13.389 -14.588 1.00 6.32 H new ATOM 1205 N LYS A 87 6.388 -10.433 -7.987 1.00 1.66 N ATOM 1206 CA LYS A 87 7.164 -10.104 -6.778 1.00 2.25 C ATOM 1207 C LYS A 87 7.911 -8.762 -6.709 1.00 1.78 C ATOM 1208 O LYS A 87 8.668 -8.541 -5.761 1.00 2.70 O ATOM 1209 CB LYS A 87 8.001 -11.324 -6.333 1.00 3.65 C ATOM 1210 CG LYS A 87 9.196 -11.672 -7.240 1.00 4.15 C ATOM 1211 CD LYS A 87 9.943 -12.914 -6.746 1.00 5.90 C ATOM 1212 CE LYS A 87 10.773 -12.639 -5.487 1.00 6.88 C ATOM 1213 NZ LYS A 87 11.288 -13.902 -4.913 1.00 8.23 N ATOM 0 H LYS A 87 5.403 -10.555 -7.752 1.00 1.66 H new ATOM 0 HA LYS A 87 6.398 -9.890 -6.033 1.00 2.25 H new ATOM 0 HB2 LYS A 87 8.373 -11.140 -5.325 1.00 3.65 H new ATOM 0 HB3 LYS A 87 7.345 -12.192 -6.277 1.00 3.65 H new ATOM 0 HG2 LYS A 87 8.843 -11.841 -8.257 1.00 4.15 H new ATOM 0 HG3 LYS A 87 9.882 -10.826 -7.277 1.00 4.15 H new ATOM 0 HD2 LYS A 87 9.225 -13.707 -6.537 1.00 5.90 H new ATOM 0 HD3 LYS A 87 10.599 -13.278 -7.537 1.00 5.90 H new ATOM 0 HE2 LYS A 87 11.605 -11.979 -5.731 1.00 6.88 H new ATOM 0 HE3 LYS A 87 10.161 -12.121 -4.748 1.00 6.88 H new ATOM 0 HZ1 LYS A 87 11.847 -13.694 -4.061 1.00 8.23 H new ATOM 0 HZ2 LYS A 87 10.490 -14.519 -4.661 1.00 8.23 H new ATOM 0 HZ3 LYS A 87 11.889 -14.382 -5.613 1.00 8.23 H new ATOM 1227 N MET A 88 7.701 -7.846 -7.653 1.00 1.55 N ATOM 1228 CA MET A 88 8.504 -6.625 -7.814 1.00 1.75 C ATOM 1229 C MET A 88 7.607 -5.419 -8.114 1.00 1.67 C ATOM 1230 O MET A 88 7.308 -5.179 -9.275 1.00 2.57 O ATOM 1231 CB MET A 88 9.503 -6.838 -8.971 1.00 2.63 C ATOM 1232 CG MET A 88 10.609 -7.854 -8.657 1.00 3.24 C ATOM 1233 SD MET A 88 11.485 -8.477 -10.119 1.00 4.34 S ATOM 1234 CE MET A 88 12.154 -6.932 -10.792 1.00 4.35 C ATOM 0 H MET A 88 6.954 -7.929 -8.343 1.00 1.55 H new ATOM 0 HA MET A 88 9.041 -6.424 -6.887 1.00 1.75 H new ATOM 0 HB2 MET A 88 8.957 -7.171 -9.853 1.00 2.63 H new ATOM 0 HB3 MET A 88 9.962 -5.882 -9.223 1.00 2.63 H new ATOM 0 HG2 MET A 88 11.331 -7.391 -7.984 1.00 3.24 H new ATOM 0 HG3 MET A 88 10.171 -8.697 -8.123 1.00 3.24 H new ATOM 0 HE1 MET A 88 12.766 -7.151 -11.667 1.00 4.35 H new ATOM 0 HE2 MET A 88 11.333 -6.274 -11.078 1.00 4.35 H new ATOM 0 HE3 MET A 88 12.766 -6.440 -10.036 1.00 4.35 H new ATOM 1244 N VAL A 89 7.204 -4.663 -7.081 1.00 1.44 N ATOM 1245 CA VAL A 89 6.420 -3.406 -7.174 1.00 1.30 C ATOM 1246 C VAL A 89 4.921 -3.681 -7.466 1.00 1.28 C ATOM 1247 O VAL A 89 4.610 -4.372 -8.437 1.00 1.52 O ATOM 1248 CB VAL A 89 6.973 -2.375 -8.207 1.00 1.44 C ATOM 1249 CG1 VAL A 89 6.382 -0.980 -7.953 1.00 2.16 C ATOM 1250 CG2 VAL A 89 8.506 -2.194 -8.150 1.00 2.58 C ATOM 0 H VAL A 89 7.420 -4.914 -6.116 1.00 1.44 H new ATOM 0 HA VAL A 89 6.524 -2.951 -6.189 1.00 1.30 H new ATOM 0 HB VAL A 89 6.689 -2.784 -9.176 1.00 1.44 H new ATOM 0 HG11 VAL A 89 6.781 -0.277 -8.684 1.00 2.16 H new ATOM 0 HG12 VAL A 89 5.297 -1.022 -8.045 1.00 2.16 H new ATOM 0 HG13 VAL A 89 6.648 -0.649 -6.949 1.00 2.16 H new ATOM 0 HG21 VAL A 89 8.814 -1.462 -8.897 1.00 2.58 H new ATOM 0 HG22 VAL A 89 8.794 -1.844 -7.159 1.00 2.58 H new ATOM 0 HG23 VAL A 89 8.993 -3.148 -8.354 1.00 2.58 H new ATOM 1260 N PRO A 90 3.976 -3.152 -6.659 1.00 1.25 N ATOM 1261 CA PRO A 90 2.544 -3.236 -6.930 1.00 1.39 C ATOM 1262 C PRO A 90 2.109 -2.196 -7.973 1.00 1.43 C ATOM 1263 O PRO A 90 2.834 -1.254 -8.277 1.00 2.25 O ATOM 1264 CB PRO A 90 1.878 -2.972 -5.576 1.00 1.63 C ATOM 1265 CG PRO A 90 2.820 -1.953 -4.940 1.00 1.51 C ATOM 1266 CD PRO A 90 4.188 -2.453 -5.399 1.00 1.30 C ATOM 0 HA PRO A 90 2.264 -4.203 -7.346 1.00 1.39 H new ATOM 0 HB2 PRO A 90 0.869 -2.576 -5.690 1.00 1.63 H new ATOM 0 HB3 PRO A 90 1.799 -3.880 -4.978 1.00 1.63 H new ATOM 0 HG2 PRO A 90 2.619 -0.940 -5.287 1.00 1.51 H new ATOM 0 HG3 PRO A 90 2.734 -1.941 -3.853 1.00 1.51 H new ATOM 0 HD2 PRO A 90 4.880 -1.621 -5.529 1.00 1.30 H new ATOM 0 HD3 PRO A 90 4.626 -3.119 -4.656 1.00 1.30 H new ATOM 1274 N TRP A 91 0.888 -2.343 -8.482 1.00 1.72 N ATOM 1275 CA TRP A 91 0.224 -1.374 -9.355 1.00 1.74 C ATOM 1276 C TRP A 91 -0.863 -0.600 -8.597 1.00 2.12 C ATOM 1277 O TRP A 91 -1.571 -1.162 -7.757 1.00 2.78 O ATOM 1278 CB TRP A 91 -0.368 -2.126 -10.565 1.00 2.15 C ATOM 1279 CG TRP A 91 -0.924 -3.489 -10.268 1.00 2.39 C ATOM 1280 CD1 TRP A 91 -2.051 -3.760 -9.567 1.00 2.29 C ATOM 1281 CD2 TRP A 91 -0.295 -4.786 -10.517 1.00 2.98 C ATOM 1282 NE1 TRP A 91 -2.161 -5.120 -9.366 1.00 2.66 N ATOM 1283 CE2 TRP A 91 -1.102 -5.799 -9.923 1.00 3.13 C ATOM 1284 CE3 TRP A 91 0.904 -5.212 -11.135 1.00 3.57 C ATOM 1285 CZ2 TRP A 91 -0.744 -7.150 -9.931 1.00 3.78 C ATOM 1286 CZ3 TRP A 91 1.278 -6.570 -11.140 1.00 4.25 C ATOM 1287 CH2 TRP A 91 0.467 -7.537 -10.521 1.00 4.35 C ATOM 0 H TRP A 91 0.314 -3.165 -8.293 1.00 1.72 H new ATOM 0 HA TRP A 91 0.950 -0.640 -9.703 1.00 1.74 H new ATOM 0 HB2 TRP A 91 -1.160 -1.516 -10.998 1.00 2.15 H new ATOM 0 HB3 TRP A 91 0.408 -2.226 -11.324 1.00 2.15 H new ATOM 0 HD1 TRP A 91 -2.758 -3.022 -9.218 1.00 2.29 H new ATOM 0 HE1 TRP A 91 -2.931 -5.566 -8.867 1.00 2.66 H new ATOM 0 HE3 TRP A 91 1.544 -4.484 -11.611 1.00 3.57 H new ATOM 0 HZ2 TRP A 91 -1.394 -7.889 -9.487 1.00 3.78 H new ATOM 0 HZ3 TRP A 91 2.196 -6.871 -11.624 1.00 4.25 H new ATOM 0 HH2 TRP A 91 0.775 -8.572 -10.500 1.00 4.35 H new ATOM 1298 N LEU A 92 -1.093 0.665 -8.978 1.00 2.17 N ATOM 1299 CA LEU A 92 -2.327 1.391 -8.648 1.00 2.89 C ATOM 1300 C LEU A 92 -3.117 1.859 -9.882 1.00 2.44 C ATOM 1301 O LEU A 92 -3.986 2.723 -9.773 1.00 3.13 O ATOM 1302 CB LEU A 92 -2.036 2.555 -7.693 1.00 4.03 C ATOM 1303 CG LEU A 92 -3.181 2.736 -6.682 1.00 5.10 C ATOM 1304 CD1 LEU A 92 -2.971 1.815 -5.475 1.00 6.48 C ATOM 1305 CD2 LEU A 92 -3.295 4.188 -6.205 1.00 6.21 C ATOM 0 H LEU A 92 -0.428 1.213 -9.524 1.00 2.17 H new ATOM 0 HA LEU A 92 -2.975 0.676 -8.141 1.00 2.89 H new ATOM 0 HB2 LEU A 92 -1.102 2.370 -7.162 1.00 4.03 H new ATOM 0 HB3 LEU A 92 -1.901 3.474 -8.264 1.00 4.03 H new ATOM 0 HG LEU A 92 -4.109 2.473 -7.190 1.00 5.10 H new ATOM 0 HD11 LEU A 92 -3.788 1.952 -4.766 1.00 6.48 H new ATOM 0 HD12 LEU A 92 -2.950 0.777 -5.808 1.00 6.48 H new ATOM 0 HD13 LEU A 92 -2.026 2.060 -4.991 1.00 6.48 H new ATOM 0 HD21 LEU A 92 -4.115 4.274 -5.492 1.00 6.21 H new ATOM 0 HD22 LEU A 92 -2.364 4.487 -5.724 1.00 6.21 H new ATOM 0 HD23 LEU A 92 -3.487 4.838 -7.059 1.00 6.21 H new ATOM 1317 N THR A 93 -2.800 1.298 -11.049 1.00 2.06 N ATOM 1318 CA THR A 93 -3.469 1.588 -12.320 1.00 2.31 C ATOM 1319 C THR A 93 -4.632 0.637 -12.535 1.00 2.11 C ATOM 1320 O THR A 93 -4.437 -0.553 -12.778 1.00 2.57 O ATOM 1321 CB THR A 93 -2.465 1.608 -13.470 1.00 3.40 C ATOM 1322 OG1 THR A 93 -1.544 2.638 -13.191 1.00 3.84 O ATOM 1323 CG2 THR A 93 -3.106 1.920 -14.822 1.00 4.23 C ATOM 0 H THR A 93 -2.051 0.611 -11.140 1.00 2.06 H new ATOM 0 HA THR A 93 -3.898 2.589 -12.286 1.00 2.31 H new ATOM 0 HB THR A 93 -2.011 0.620 -13.541 1.00 3.40 H new ATOM 0 HG1 THR A 93 -0.877 2.684 -13.908 1.00 3.84 H new ATOM 0 HG21 THR A 93 -2.339 1.919 -15.597 1.00 4.23 H new ATOM 0 HG22 THR A 93 -3.856 1.163 -15.053 1.00 4.23 H new ATOM 0 HG23 THR A 93 -3.581 2.900 -14.782 1.00 4.23 H new ATOM 1331 N ILE A 94 -5.852 1.168 -12.427 1.00 1.83 N ATOM 1332 CA ILE A 94 -7.119 0.457 -12.651 1.00 1.80 C ATOM 1333 C ILE A 94 -7.726 0.790 -14.036 1.00 1.55 C ATOM 1334 O ILE A 94 -7.734 1.964 -14.430 1.00 1.65 O ATOM 1335 CB ILE A 94 -8.095 0.759 -11.483 1.00 2.33 C ATOM 1336 CG1 ILE A 94 -9.219 -0.298 -11.410 1.00 3.72 C ATOM 1337 CG2 ILE A 94 -8.661 2.190 -11.534 1.00 2.86 C ATOM 1338 CD1 ILE A 94 -10.080 -0.189 -10.150 1.00 4.71 C ATOM 0 H ILE A 94 -5.993 2.145 -12.171 1.00 1.83 H new ATOM 0 HA ILE A 94 -6.928 -0.616 -12.664 1.00 1.80 H new ATOM 0 HB ILE A 94 -7.514 0.696 -10.563 1.00 2.33 H new ATOM 0 HG12 ILE A 94 -9.858 -0.198 -12.287 1.00 3.72 H new ATOM 0 HG13 ILE A 94 -8.775 -1.292 -11.452 1.00 3.72 H new ATOM 0 HG21 ILE A 94 -9.337 2.344 -10.693 1.00 2.86 H new ATOM 0 HG22 ILE A 94 -7.842 2.907 -11.478 1.00 2.86 H new ATOM 0 HG23 ILE A 94 -9.205 2.333 -12.468 1.00 2.86 H new ATOM 0 HD11 ILE A 94 -10.848 -0.962 -10.166 1.00 4.71 H new ATOM 0 HD12 ILE A 94 -9.453 -0.319 -9.268 1.00 4.71 H new ATOM 0 HD13 ILE A 94 -10.553 0.792 -10.117 1.00 4.71 H new ATOM 1350 N PRO A 95 -8.278 -0.201 -14.766 1.00 1.93 N ATOM 1351 CA PRO A 95 -9.133 0.036 -15.931 1.00 2.25 C ATOM 1352 C PRO A 95 -10.501 0.601 -15.524 1.00 1.93 C ATOM 1353 O PRO A 95 -10.954 0.394 -14.400 1.00 2.24 O ATOM 1354 CB PRO A 95 -9.278 -1.325 -16.622 1.00 3.18 C ATOM 1355 CG PRO A 95 -9.019 -2.339 -15.518 1.00 3.23 C ATOM 1356 CD PRO A 95 -8.068 -1.629 -14.567 1.00 2.61 C ATOM 0 HA PRO A 95 -8.694 0.780 -16.597 1.00 2.25 H new ATOM 0 HB2 PRO A 95 -10.273 -1.449 -17.050 1.00 3.18 H new ATOM 0 HB3 PRO A 95 -8.564 -1.435 -17.438 1.00 3.18 H new ATOM 0 HG2 PRO A 95 -9.943 -2.624 -15.016 1.00 3.23 H new ATOM 0 HG3 PRO A 95 -8.576 -3.253 -15.914 1.00 3.23 H new ATOM 0 HD2 PRO A 95 -8.270 -1.911 -13.534 1.00 2.61 H new ATOM 0 HD3 PRO A 95 -7.034 -1.902 -14.776 1.00 2.61 H new ATOM 1364 N ALA A 96 -11.185 1.275 -16.459 1.00 2.32 N ATOM 1365 CA ALA A 96 -12.502 1.918 -16.292 1.00 2.38 C ATOM 1366 C ALA A 96 -13.685 0.920 -16.207 1.00 2.72 C ATOM 1367 O ALA A 96 -14.667 1.028 -16.937 1.00 3.91 O ATOM 1368 CB ALA A 96 -12.654 2.948 -17.422 1.00 2.69 C ATOM 0 H ALA A 96 -10.818 1.394 -17.403 1.00 2.32 H new ATOM 0 HA ALA A 96 -12.539 2.417 -15.324 1.00 2.38 H new ATOM 0 HB1 ALA A 96 -13.619 3.447 -17.332 1.00 2.69 H new ATOM 0 HB2 ALA A 96 -11.856 3.687 -17.351 1.00 2.69 H new ATOM 0 HB3 ALA A 96 -12.595 2.442 -18.386 1.00 2.69 H new ATOM 1374 N ARG A 97 -13.548 -0.067 -15.317 1.00 2.12 N ATOM 1375 CA ARG A 97 -14.437 -1.221 -15.093 1.00 2.31 C ATOM 1376 C ARG A 97 -14.006 -2.128 -13.926 1.00 2.47 C ATOM 1377 O ARG A 97 -14.821 -2.884 -13.403 1.00 3.10 O ATOM 1378 CB ARG A 97 -14.556 -2.102 -16.359 1.00 2.09 C ATOM 1379 CG ARG A 97 -13.207 -2.495 -17.001 1.00 3.06 C ATOM 1380 CD ARG A 97 -13.259 -3.829 -17.768 1.00 3.29 C ATOM 1381 NE ARG A 97 -12.848 -4.968 -16.920 1.00 4.16 N ATOM 1382 CZ ARG A 97 -13.324 -6.209 -16.913 1.00 4.65 C ATOM 1383 NH1 ARG A 97 -14.317 -6.608 -17.687 1.00 4.41 N ATOM 1384 NH2 ARG A 97 -12.769 -7.058 -16.081 1.00 6.09 N ATOM 0 H ARG A 97 -12.750 -0.085 -14.682 1.00 2.12 H new ATOM 0 HA ARG A 97 -15.398 -0.773 -14.840 1.00 2.31 H new ATOM 0 HB2 ARG A 97 -15.099 -3.011 -16.102 1.00 2.09 H new ATOM 0 HB3 ARG A 97 -15.154 -1.571 -17.100 1.00 2.09 H new ATOM 0 HG2 ARG A 97 -12.894 -1.704 -17.683 1.00 3.06 H new ATOM 0 HG3 ARG A 97 -12.448 -2.562 -16.221 1.00 3.06 H new ATOM 0 HD2 ARG A 97 -14.271 -3.997 -18.136 1.00 3.29 H new ATOM 0 HD3 ARG A 97 -12.608 -3.772 -18.640 1.00 3.29 H new ATOM 0 HE ARG A 97 -12.101 -4.776 -16.253 1.00 4.16 H new ATOM 0 HH11 ARG A 97 -14.758 -5.951 -18.331 1.00 4.41 H new ATOM 0 HH12 ARG A 97 -14.643 -7.573 -17.641 1.00 4.41 H new ATOM 0 HH21 ARG A 97 -12.006 -6.754 -15.476 1.00 6.09 H new ATOM 0 HH22 ARG A 97 -13.100 -8.022 -16.039 1.00 6.09 H new ATOM 1398 N GLY A 98 -12.711 -2.124 -13.577 1.00 2.17 N ATOM 1399 CA GLY A 98 -12.094 -3.224 -12.832 1.00 2.35 C ATOM 1400 C GLY A 98 -12.173 -3.097 -11.320 1.00 2.62 C ATOM 1401 O GLY A 98 -12.960 -2.328 -10.768 1.00 3.80 O ATOM 0 H GLY A 98 -12.069 -1.364 -13.802 1.00 2.17 H new ATOM 0 HA2 GLY A 98 -12.572 -4.158 -13.129 1.00 2.35 H new ATOM 0 HA3 GLY A 98 -11.046 -3.296 -13.122 1.00 2.35 H new ATOM 1405 N THR A 99 -11.317 -3.865 -10.640 1.00 2.19 N ATOM 1406 CA THR A 99 -11.195 -3.874 -9.168 1.00 2.43 C ATOM 1407 C THR A 99 -9.740 -4.103 -8.772 1.00 2.24 C ATOM 1408 O THR A 99 -9.274 -5.233 -8.696 1.00 2.38 O ATOM 1409 CB THR A 99 -12.119 -4.926 -8.537 1.00 2.88 C ATOM 1410 OG1 THR A 99 -13.453 -4.672 -8.920 1.00 3.85 O ATOM 1411 CG2 THR A 99 -12.080 -4.895 -7.007 1.00 3.11 C ATOM 0 H THR A 99 -10.675 -4.511 -11.099 1.00 2.19 H new ATOM 0 HA THR A 99 -11.511 -2.903 -8.786 1.00 2.43 H new ATOM 0 HB THR A 99 -11.769 -5.898 -8.885 1.00 2.88 H new ATOM 0 HG1 THR A 99 -14.042 -5.344 -8.519 1.00 3.85 H new ATOM 0 HG21 THR A 99 -12.750 -5.658 -6.610 1.00 3.11 H new ATOM 0 HG22 THR A 99 -11.064 -5.092 -6.665 1.00 3.11 H new ATOM 0 HG23 THR A 99 -12.398 -3.914 -6.655 1.00 3.11 H new ATOM 1419 N LEU A 100 -9.015 -3.014 -8.527 1.00 2.12 N ATOM 1420 CA LEU A 100 -7.621 -3.046 -8.107 1.00 2.03 C ATOM 1421 C LEU A 100 -7.506 -3.286 -6.586 1.00 1.78 C ATOM 1422 O LEU A 100 -7.560 -2.354 -5.777 1.00 1.39 O ATOM 1423 CB LEU A 100 -6.998 -1.743 -8.624 1.00 2.30 C ATOM 1424 CG LEU A 100 -5.487 -1.627 -8.373 1.00 2.55 C ATOM 1425 CD1 LEU A 100 -4.771 -1.280 -9.683 1.00 3.57 C ATOM 1426 CD2 LEU A 100 -5.207 -0.516 -7.360 1.00 3.31 C ATOM 0 H LEU A 100 -9.389 -2.069 -8.617 1.00 2.12 H new ATOM 0 HA LEU A 100 -7.064 -3.883 -8.527 1.00 2.03 H new ATOM 0 HB2 LEU A 100 -7.185 -1.664 -9.695 1.00 2.30 H new ATOM 0 HB3 LEU A 100 -7.500 -0.900 -8.150 1.00 2.30 H new ATOM 0 HG LEU A 100 -5.125 -2.580 -7.987 1.00 2.55 H new ATOM 0 HD11 LEU A 100 -3.699 -1.198 -9.501 1.00 3.57 H new ATOM 0 HD12 LEU A 100 -4.956 -2.064 -10.417 1.00 3.57 H new ATOM 0 HD13 LEU A 100 -5.148 -0.330 -10.063 1.00 3.57 H new ATOM 0 HD21 LEU A 100 -4.133 -0.442 -7.189 1.00 3.31 H new ATOM 0 HD22 LEU A 100 -5.579 0.432 -7.748 1.00 3.31 H new ATOM 0 HD23 LEU A 100 -5.709 -0.746 -6.420 1.00 3.31 H new ATOM 1438 N THR A 101 -7.350 -4.557 -6.209 1.00 2.25 N ATOM 1439 CA THR A 101 -7.044 -5.031 -4.849 1.00 1.97 C ATOM 1440 C THR A 101 -5.527 -5.003 -4.622 1.00 1.53 C ATOM 1441 O THR A 101 -4.788 -5.285 -5.556 1.00 1.96 O ATOM 1442 CB THR A 101 -7.581 -6.463 -4.699 1.00 2.69 C ATOM 1443 OG1 THR A 101 -8.988 -6.461 -4.837 1.00 3.58 O ATOM 1444 CG2 THR A 101 -7.287 -7.075 -3.329 1.00 2.97 C ATOM 0 H THR A 101 -7.437 -5.325 -6.874 1.00 2.25 H new ATOM 0 HA THR A 101 -7.515 -4.385 -4.108 1.00 1.97 H new ATOM 0 HB THR A 101 -7.082 -7.050 -5.470 1.00 2.69 H new ATOM 0 HG1 THR A 101 -9.327 -7.376 -4.743 1.00 3.58 H new ATOM 0 HG21 THR A 101 -7.692 -8.086 -3.288 1.00 2.97 H new ATOM 0 HG22 THR A 101 -6.209 -7.109 -3.169 1.00 2.97 H new ATOM 0 HG23 THR A 101 -7.750 -6.467 -2.552 1.00 2.97 H new ATOM 1452 N LEU A 102 -5.066 -4.715 -3.393 1.00 1.31 N ATOM 1453 CA LEU A 102 -3.666 -4.875 -2.953 1.00 1.47 C ATOM 1454 C LEU A 102 -3.619 -5.349 -1.488 1.00 1.12 C ATOM 1455 O LEU A 102 -3.941 -4.578 -0.581 1.00 1.19 O ATOM 1456 CB LEU A 102 -2.900 -3.537 -3.018 1.00 2.09 C ATOM 1457 CG LEU A 102 -2.816 -2.775 -4.349 1.00 3.16 C ATOM 1458 CD1 LEU A 102 -4.129 -2.027 -4.638 1.00 4.60 C ATOM 1459 CD2 LEU A 102 -1.659 -1.765 -4.243 1.00 3.55 C ATOM 0 H LEU A 102 -5.672 -4.354 -2.656 1.00 1.31 H new ATOM 0 HA LEU A 102 -3.206 -5.604 -3.620 1.00 1.47 H new ATOM 0 HB2 LEU A 102 -3.351 -2.867 -2.286 1.00 2.09 H new ATOM 0 HB3 LEU A 102 -1.879 -3.729 -2.687 1.00 2.09 H new ATOM 0 HG LEU A 102 -2.645 -3.479 -5.163 1.00 3.16 H new ATOM 0 HD11 LEU A 102 -4.044 -1.495 -5.586 1.00 4.60 H new ATOM 0 HD12 LEU A 102 -4.950 -2.742 -4.695 1.00 4.60 H new ATOM 0 HD13 LEU A 102 -4.325 -1.313 -3.838 1.00 4.60 H new ATOM 0 HD21 LEU A 102 -1.576 -1.208 -5.176 1.00 3.55 H new ATOM 0 HD22 LEU A 102 -1.854 -1.073 -3.424 1.00 3.55 H new ATOM 0 HD23 LEU A 102 -0.727 -2.298 -4.054 1.00 3.55 H new ATOM 1471 N GLN A 103 -3.236 -6.595 -1.204 1.00 0.98 N ATOM 1472 CA GLN A 103 -3.279 -7.138 0.166 1.00 1.09 C ATOM 1473 C GLN A 103 -2.032 -7.964 0.510 1.00 1.44 C ATOM 1474 O GLN A 103 -1.276 -8.357 -0.373 1.00 1.64 O ATOM 1475 CB GLN A 103 -4.544 -8.007 0.341 1.00 1.34 C ATOM 1476 CG GLN A 103 -5.880 -7.281 0.086 1.00 1.56 C ATOM 1477 CD GLN A 103 -6.213 -6.215 1.130 1.00 2.18 C ATOM 1478 OE1 GLN A 103 -6.405 -6.509 2.298 1.00 2.89 O ATOM 1479 NE2 GLN A 103 -6.292 -4.951 0.777 1.00 3.15 N ATOM 0 H GLN A 103 -2.891 -7.253 -1.903 1.00 0.98 H new ATOM 0 HA GLN A 103 -3.305 -6.290 0.851 1.00 1.09 H new ATOM 0 HB2 GLN A 103 -4.477 -8.859 -0.336 1.00 1.34 H new ATOM 0 HB3 GLN A 103 -4.554 -8.406 1.355 1.00 1.34 H new ATOM 0 HG2 GLN A 103 -5.847 -6.814 -0.898 1.00 1.56 H new ATOM 0 HG3 GLN A 103 -6.684 -8.017 0.063 1.00 1.56 H new ATOM 0 HE21 GLN A 103 -6.135 -4.682 -0.194 1.00 3.15 H new ATOM 0 HE22 GLN A 103 -6.510 -4.239 1.474 1.00 3.15 H new ATOM 1488 N ARG A 104 -1.875 -8.325 1.792 1.00 1.71 N ATOM 1489 CA ARG A 104 -0.899 -9.325 2.275 1.00 2.16 C ATOM 1490 C ARG A 104 -0.874 -10.635 1.452 1.00 2.47 C ATOM 1491 O ARG A 104 0.129 -11.342 1.429 1.00 3.00 O ATOM 1492 CB ARG A 104 -1.221 -9.640 3.752 1.00 2.19 C ATOM 1493 CG ARG A 104 -2.536 -10.431 3.912 1.00 2.59 C ATOM 1494 CD ARG A 104 -3.029 -10.588 5.353 1.00 3.57 C ATOM 1495 NE ARG A 104 -3.904 -11.768 5.433 1.00 4.29 N ATOM 1496 CZ ARG A 104 -3.544 -12.981 5.828 1.00 4.37 C ATOM 1497 NH1 ARG A 104 -2.387 -13.227 6.410 1.00 4.07 N ATOM 1498 NH2 ARG A 104 -4.367 -13.973 5.577 1.00 5.43 N ATOM 0 H ARG A 104 -2.435 -7.922 2.544 1.00 1.71 H new ATOM 0 HA ARG A 104 0.094 -8.889 2.161 1.00 2.16 H new ATOM 0 HB2 ARG A 104 -0.401 -10.212 4.186 1.00 2.19 H new ATOM 0 HB3 ARG A 104 -1.290 -8.708 4.313 1.00 2.19 H new ATOM 0 HG2 ARG A 104 -3.313 -9.935 3.331 1.00 2.59 H new ATOM 0 HG3 ARG A 104 -2.400 -11.423 3.481 1.00 2.59 H new ATOM 0 HD2 ARG A 104 -2.183 -10.700 6.031 1.00 3.57 H new ATOM 0 HD3 ARG A 104 -3.571 -9.695 5.665 1.00 3.57 H new ATOM 0 HE ARG A 104 -4.878 -11.641 5.159 1.00 4.29 H new ATOM 0 HH11 ARG A 104 -1.726 -12.467 6.573 1.00 4.07 H new ATOM 0 HH12 ARG A 104 -2.153 -14.177 6.697 1.00 4.07 H new ATOM 0 HH21 ARG A 104 -5.248 -13.795 5.094 1.00 5.43 H new ATOM 0 HH22 ARG A 104 -4.126 -14.921 5.865 1.00 5.43 H new ATOM 1512 N ASP A 105 -2.010 -10.947 0.820 1.00 2.33 N ATOM 1513 CA ASP A 105 -2.304 -12.160 0.054 1.00 2.68 C ATOM 1514 C ASP A 105 -2.113 -11.957 -1.470 1.00 2.16 C ATOM 1515 O ASP A 105 -2.715 -12.650 -2.295 1.00 2.10 O ATOM 1516 CB ASP A 105 -3.728 -12.609 0.438 1.00 3.19 C ATOM 1517 CG ASP A 105 -3.869 -14.128 0.547 1.00 4.09 C ATOM 1518 OD1 ASP A 105 -2.995 -14.775 1.179 1.00 5.61 O ATOM 1519 OD2 ASP A 105 -4.916 -14.662 0.142 1.00 4.01 O ATOM 0 H ASP A 105 -2.807 -10.310 0.832 1.00 2.33 H new ATOM 0 HA ASP A 105 -1.595 -12.950 0.304 1.00 2.68 H new ATOM 0 HB2 ASP A 105 -4.001 -12.155 1.391 1.00 3.19 H new ATOM 0 HB3 ASP A 105 -4.433 -12.237 -0.306 1.00 3.19 H new ATOM 1524 N GLY A 106 -1.299 -10.955 -1.832 1.00 2.10 N ATOM 1525 CA GLY A 106 -0.998 -10.515 -3.195 1.00 1.96 C ATOM 1526 C GLY A 106 -0.001 -9.356 -3.186 1.00 2.12 C ATOM 1527 O GLY A 106 1.196 -9.587 -3.019 1.00 2.82 O ATOM 0 H GLY A 106 -0.804 -10.398 -1.135 1.00 2.10 H new ATOM 0 HA2 GLY A 106 -0.589 -11.347 -3.768 1.00 1.96 H new ATOM 0 HA3 GLY A 106 -1.917 -10.206 -3.693 1.00 1.96 H new ATOM 1531 N ASP A 107 -0.503 -8.143 -3.440 1.00 2.16 N ATOM 1532 CA ASP A 107 0.215 -6.876 -3.624 1.00 2.64 C ATOM 1533 C ASP A 107 0.297 -6.080 -2.323 1.00 1.94 C ATOM 1534 O ASP A 107 -0.719 -5.717 -1.748 1.00 1.89 O ATOM 1535 CB ASP A 107 -0.461 -6.004 -4.708 1.00 3.76 C ATOM 1536 CG ASP A 107 -1.335 -6.760 -5.704 1.00 4.92 C ATOM 1537 OD1 ASP A 107 -2.361 -7.327 -5.260 1.00 5.79 O ATOM 1538 OD2 ASP A 107 -0.943 -6.817 -6.887 1.00 5.61 O ATOM 0 H ASP A 107 -1.510 -8.011 -3.530 1.00 2.16 H new ATOM 0 HA ASP A 107 1.225 -7.133 -3.944 1.00 2.64 H new ATOM 0 HB2 ASP A 107 -1.072 -5.249 -4.214 1.00 3.76 H new ATOM 0 HB3 ASP A 107 0.315 -5.474 -5.260 1.00 3.76 H new ATOM 1543 N HIS A 108 1.487 -5.725 -1.854 1.00 1.78 N ATOM 1544 CA HIS A 108 1.601 -5.028 -0.574 1.00 1.39 C ATOM 1545 C HIS A 108 2.947 -4.327 -0.390 1.00 1.31 C ATOM 1546 O HIS A 108 3.943 -4.692 -1.015 1.00 1.43 O ATOM 1547 CB HIS A 108 1.295 -6.002 0.584 1.00 1.33 C ATOM 1548 CG HIS A 108 2.257 -7.156 0.727 1.00 1.63 C ATOM 1549 ND1 HIS A 108 3.442 -7.155 1.431 1.00 2.25 N ATOM 1550 CD2 HIS A 108 2.084 -8.422 0.235 1.00 2.61 C ATOM 1551 CE1 HIS A 108 3.961 -8.392 1.372 1.00 2.54 C ATOM 1552 NE2 HIS A 108 3.168 -9.201 0.657 1.00 2.94 N ATOM 0 H HIS A 108 2.372 -5.903 -2.328 1.00 1.78 H new ATOM 0 HA HIS A 108 0.858 -4.230 -0.568 1.00 1.39 H new ATOM 0 HB2 HIS A 108 1.287 -5.439 1.518 1.00 1.33 H new ATOM 0 HB3 HIS A 108 0.291 -6.403 0.444 1.00 1.33 H new ATOM 0 HD2 HIS A 108 1.257 -8.760 -0.372 1.00 2.61 H new ATOM 0 HE1 HIS A 108 4.889 -8.693 1.836 1.00 2.54 H new ATOM 0 HE2 HIS A 108 3.323 -10.189 0.459 1.00 2.94 H new ATOM 1560 N VAL A 109 2.994 -3.373 0.547 1.00 1.23 N ATOM 1561 CA VAL A 109 4.261 -2.857 1.083 1.00 1.11 C ATOM 1562 C VAL A 109 4.524 -3.514 2.439 1.00 0.89 C ATOM 1563 O VAL A 109 3.617 -3.631 3.263 1.00 0.92 O ATOM 1564 CB VAL A 109 4.291 -1.309 1.127 1.00 1.35 C ATOM 1565 CG1 VAL A 109 3.266 -0.713 2.101 1.00 2.47 C ATOM 1566 CG2 VAL A 109 5.697 -0.782 1.466 1.00 2.23 C ATOM 0 H VAL A 109 2.164 -2.940 0.952 1.00 1.23 H new ATOM 0 HA VAL A 109 5.078 -3.123 0.413 1.00 1.11 H new ATOM 0 HB VAL A 109 4.017 -0.983 0.124 1.00 1.35 H new ATOM 0 HG11 VAL A 109 3.338 0.374 2.085 1.00 2.47 H new ATOM 0 HG12 VAL A 109 2.262 -1.015 1.802 1.00 2.47 H new ATOM 0 HG13 VAL A 109 3.469 -1.075 3.109 1.00 2.47 H new ATOM 0 HG21 VAL A 109 5.682 0.308 1.488 1.00 2.23 H new ATOM 0 HG22 VAL A 109 6.002 -1.161 2.441 1.00 2.23 H new ATOM 0 HG23 VAL A 109 6.404 -1.119 0.708 1.00 2.23 H new ATOM 1576 N MET A 110 5.760 -3.964 2.650 1.00 0.84 N ATOM 1577 CA MET A 110 6.312 -4.344 3.951 1.00 0.81 C ATOM 1578 C MET A 110 7.285 -3.285 4.457 1.00 0.77 C ATOM 1579 O MET A 110 7.962 -2.596 3.694 1.00 0.84 O ATOM 1580 CB MET A 110 6.993 -5.721 3.886 1.00 0.92 C ATOM 1581 CG MET A 110 5.988 -6.814 4.262 1.00 1.37 C ATOM 1582 SD MET A 110 6.650 -8.497 4.244 1.00 1.55 S ATOM 1583 CE MET A 110 7.647 -8.455 5.758 1.00 2.09 C ATOM 0 H MET A 110 6.431 -4.079 1.890 1.00 0.84 H new ATOM 0 HA MET A 110 5.484 -4.413 4.656 1.00 0.81 H new ATOM 0 HB2 MET A 110 7.379 -5.899 2.882 1.00 0.92 H new ATOM 0 HB3 MET A 110 7.845 -5.748 4.565 1.00 0.92 H new ATOM 0 HG2 MET A 110 5.600 -6.603 5.258 1.00 1.37 H new ATOM 0 HG3 MET A 110 5.144 -6.764 3.574 1.00 1.37 H new ATOM 0 HE1 MET A 110 8.073 -9.441 5.940 1.00 2.09 H new ATOM 0 HE2 MET A 110 8.451 -7.728 5.644 1.00 2.09 H new ATOM 0 HE3 MET A 110 7.017 -8.171 6.601 1.00 2.09 H new ATOM 1593 N LEU A 111 7.360 -3.193 5.777 1.00 0.89 N ATOM 1594 CA LEU A 111 8.235 -2.312 6.523 1.00 1.07 C ATOM 1595 C LEU A 111 9.318 -3.193 7.152 1.00 1.15 C ATOM 1596 O LEU A 111 9.143 -3.706 8.257 1.00 1.41 O ATOM 1597 CB LEU A 111 7.397 -1.547 7.576 1.00 1.34 C ATOM 1598 CG LEU A 111 6.409 -0.495 7.012 1.00 1.45 C ATOM 1599 CD1 LEU A 111 5.103 -1.087 6.448 1.00 2.07 C ATOM 1600 CD2 LEU A 111 6.030 0.505 8.118 1.00 2.68 C ATOM 0 H LEU A 111 6.777 -3.766 6.387 1.00 0.89 H new ATOM 0 HA LEU A 111 8.713 -1.560 5.895 1.00 1.07 H new ATOM 0 HB2 LEU A 111 6.832 -2.273 8.161 1.00 1.34 H new ATOM 0 HB3 LEU A 111 8.079 -1.046 8.263 1.00 1.34 H new ATOM 0 HG LEU A 111 6.935 -0.018 6.185 1.00 1.45 H new ATOM 0 HD11 LEU A 111 4.470 -0.282 6.075 1.00 2.07 H new ATOM 0 HD12 LEU A 111 5.336 -1.773 5.633 1.00 2.07 H new ATOM 0 HD13 LEU A 111 4.577 -1.626 7.236 1.00 2.07 H new ATOM 0 HD21 LEU A 111 5.335 1.244 7.718 1.00 2.68 H new ATOM 0 HD22 LEU A 111 5.558 -0.027 8.944 1.00 2.68 H new ATOM 0 HD23 LEU A 111 6.928 1.008 8.477 1.00 2.68 H new ATOM 1612 N MET A 112 10.419 -3.419 6.428 1.00 1.06 N ATOM 1613 CA MET A 112 11.538 -4.249 6.897 1.00 1.19 C ATOM 1614 C MET A 112 12.494 -3.407 7.754 1.00 1.26 C ATOM 1615 O MET A 112 12.830 -2.269 7.405 1.00 1.20 O ATOM 1616 CB MET A 112 12.229 -4.915 5.694 1.00 1.19 C ATOM 1617 CG MET A 112 13.291 -5.946 6.093 1.00 1.52 C ATOM 1618 SD MET A 112 13.998 -6.824 4.673 1.00 2.11 S ATOM 1619 CE MET A 112 15.198 -7.853 5.558 1.00 2.57 C ATOM 0 H MET A 112 10.562 -3.030 5.496 1.00 1.06 H new ATOM 0 HA MET A 112 11.172 -5.052 7.537 1.00 1.19 H new ATOM 0 HB2 MET A 112 11.475 -5.402 5.076 1.00 1.19 H new ATOM 0 HB3 MET A 112 12.695 -4.144 5.080 1.00 1.19 H new ATOM 0 HG2 MET A 112 14.091 -5.443 6.637 1.00 1.52 H new ATOM 0 HG3 MET A 112 12.847 -6.670 6.776 1.00 1.52 H new ATOM 0 HE1 MET A 112 15.741 -8.474 4.845 1.00 2.57 H new ATOM 0 HE2 MET A 112 15.902 -7.214 6.092 1.00 2.57 H new ATOM 0 HE3 MET A 112 14.675 -8.491 6.270 1.00 2.57 H new ATOM 1629 N GLY A 113 12.881 -3.932 8.920 1.00 1.46 N ATOM 1630 CA GLY A 113 13.653 -3.175 9.909 1.00 1.54 C ATOM 1631 C GLY A 113 12.866 -1.964 10.410 1.00 1.55 C ATOM 1632 O GLY A 113 13.392 -0.848 10.426 1.00 1.73 O ATOM 0 H GLY A 113 12.669 -4.889 9.204 1.00 1.46 H new ATOM 0 HA2 GLY A 113 13.906 -3.821 10.749 1.00 1.54 H new ATOM 0 HA3 GLY A 113 14.593 -2.844 9.466 1.00 1.54 H new ATOM 1636 N LEU A 114 11.590 -2.159 10.763 1.00 1.57 N ATOM 1637 CA LEU A 114 10.742 -1.124 11.337 1.00 1.62 C ATOM 1638 C LEU A 114 11.330 -0.545 12.630 1.00 1.76 C ATOM 1639 O LEU A 114 11.980 -1.212 13.428 1.00 2.69 O ATOM 1640 CB LEU A 114 9.302 -1.650 11.474 1.00 1.90 C ATOM 1641 CG LEU A 114 8.368 -0.624 12.141 1.00 2.07 C ATOM 1642 CD1 LEU A 114 6.961 -0.713 11.547 1.00 2.97 C ATOM 1643 CD2 LEU A 114 8.242 -0.876 13.656 1.00 2.86 C ATOM 0 H LEU A 114 11.117 -3.056 10.654 1.00 1.57 H new ATOM 0 HA LEU A 114 10.704 -0.272 10.658 1.00 1.62 H new ATOM 0 HB2 LEU A 114 8.914 -1.904 10.487 1.00 1.90 H new ATOM 0 HB3 LEU A 114 9.307 -2.569 12.060 1.00 1.90 H new ATOM 0 HG LEU A 114 8.805 0.359 11.962 1.00 2.07 H new ATOM 0 HD11 LEU A 114 6.315 0.020 12.031 1.00 2.97 H new ATOM 0 HD12 LEU A 114 7.004 -0.509 10.477 1.00 2.97 H new ATOM 0 HD13 LEU A 114 6.560 -1.714 11.709 1.00 2.97 H new ATOM 0 HD21 LEU A 114 7.575 -0.133 14.094 1.00 2.86 H new ATOM 0 HD22 LEU A 114 7.836 -1.873 13.826 1.00 2.86 H new ATOM 0 HD23 LEU A 114 9.225 -0.800 14.120 1.00 2.86 H new ATOM 1655 N LYS A 115 11.071 0.747 12.816 1.00 1.31 N ATOM 1656 CA LYS A 115 11.674 1.591 13.843 1.00 1.61 C ATOM 1657 C LYS A 115 10.692 1.977 14.966 1.00 1.72 C ATOM 1658 O LYS A 115 11.093 2.021 16.126 1.00 2.25 O ATOM 1659 CB LYS A 115 12.211 2.842 13.125 1.00 1.82 C ATOM 1660 CG LYS A 115 13.168 2.461 11.977 1.00 2.89 C ATOM 1661 CD LYS A 115 13.790 3.685 11.300 1.00 2.93 C ATOM 1662 CE LYS A 115 12.736 4.335 10.400 1.00 2.62 C ATOM 1663 NZ LYS A 115 13.289 5.476 9.635 1.00 3.43 N ATOM 0 H LYS A 115 10.408 1.255 12.231 1.00 1.31 H new ATOM 0 HA LYS A 115 12.470 1.040 14.344 1.00 1.61 H new ATOM 0 HB2 LYS A 115 11.378 3.423 12.729 1.00 1.82 H new ATOM 0 HB3 LYS A 115 12.732 3.479 13.840 1.00 1.82 H new ATOM 0 HG2 LYS A 115 13.961 1.823 12.367 1.00 2.89 H new ATOM 0 HG3 LYS A 115 12.625 1.876 11.235 1.00 2.89 H new ATOM 0 HD2 LYS A 115 14.137 4.396 12.050 1.00 2.93 H new ATOM 0 HD3 LYS A 115 14.660 3.391 10.712 1.00 2.93 H new ATOM 0 HE2 LYS A 115 12.342 3.591 9.708 1.00 2.62 H new ATOM 0 HE3 LYS A 115 11.900 4.678 11.010 1.00 2.62 H new ATOM 0 HZ1 LYS A 115 12.629 5.737 8.875 1.00 3.43 H new ATOM 0 HZ2 LYS A 115 13.423 6.288 10.271 1.00 3.43 H new ATOM 0 HZ3 LYS A 115 14.204 5.206 9.222 1.00 3.43 H new ATOM 1677 N ARG A 116 9.418 2.241 14.632 1.00 1.54 N ATOM 1678 CA ARG A 116 8.445 2.828 15.569 1.00 1.62 C ATOM 1679 C ARG A 116 7.065 2.146 15.452 1.00 1.23 C ATOM 1680 O ARG A 116 6.436 2.294 14.402 1.00 1.05 O ATOM 1681 CB ARG A 116 8.373 4.349 15.298 1.00 2.10 C ATOM 1682 CG ARG A 116 8.231 5.192 16.569 1.00 2.76 C ATOM 1683 CD ARG A 116 6.918 4.970 17.319 1.00 3.37 C ATOM 1684 NE ARG A 116 6.959 5.655 18.607 1.00 3.84 N ATOM 1685 CZ ARG A 116 5.986 5.751 19.501 1.00 4.88 C ATOM 1686 NH1 ARG A 116 4.764 5.285 19.316 1.00 5.76 N ATOM 1687 NH2 ARG A 116 6.260 6.331 20.642 1.00 5.58 N ATOM 0 H ARG A 116 9.034 2.054 13.706 1.00 1.54 H new ATOM 0 HA ARG A 116 8.769 2.662 16.596 1.00 1.62 H new ATOM 0 HB2 ARG A 116 9.273 4.658 14.766 1.00 2.10 H new ATOM 0 HB3 ARG A 116 7.528 4.553 14.640 1.00 2.10 H new ATOM 0 HG2 ARG A 116 9.062 4.966 17.237 1.00 2.76 H new ATOM 0 HG3 ARG A 116 8.313 6.246 16.304 1.00 2.76 H new ATOM 0 HD2 ARG A 116 6.083 5.343 16.726 1.00 3.37 H new ATOM 0 HD3 ARG A 116 6.751 3.903 17.470 1.00 3.37 H new ATOM 0 HE ARG A 116 7.838 6.113 18.847 1.00 3.84 H new ATOM 0 HH11 ARG A 116 4.523 4.818 18.442 1.00 5.76 H new ATOM 0 HH12 ARG A 116 4.061 5.393 20.047 1.00 5.76 H new ATOM 0 HH21 ARG A 116 7.198 6.691 20.819 1.00 5.58 H new ATOM 0 HH22 ARG A 116 5.536 6.423 21.354 1.00 5.58 H new ATOM 1701 N PRO A 117 6.581 1.407 16.479 1.00 1.49 N ATOM 1702 CA PRO A 117 5.231 0.842 16.503 1.00 1.42 C ATOM 1703 C PRO A 117 4.185 1.935 16.767 1.00 1.13 C ATOM 1704 O PRO A 117 4.514 2.999 17.294 1.00 1.46 O ATOM 1705 CB PRO A 117 5.245 -0.225 17.602 1.00 2.11 C ATOM 1706 CG PRO A 117 6.269 0.327 18.593 1.00 2.46 C ATOM 1707 CD PRO A 117 7.296 1.014 17.688 1.00 2.19 C ATOM 0 HA PRO A 117 4.956 0.402 15.545 1.00 1.42 H new ATOM 0 HB2 PRO A 117 4.263 -0.347 18.060 1.00 2.11 H new ATOM 0 HB3 PRO A 117 5.540 -1.200 17.216 1.00 2.11 H new ATOM 0 HG2 PRO A 117 5.815 1.029 19.292 1.00 2.46 H new ATOM 0 HG3 PRO A 117 6.723 -0.466 19.187 1.00 2.46 H new ATOM 0 HD2 PRO A 117 7.730 1.883 18.183 1.00 2.19 H new ATOM 0 HD3 PRO A 117 8.118 0.339 17.451 1.00 2.19 H new ATOM 1715 N LEU A 118 2.930 1.680 16.381 1.00 1.06 N ATOM 1716 CA LEU A 118 1.847 2.671 16.338 1.00 1.19 C ATOM 1717 C LEU A 118 0.549 2.062 16.886 1.00 1.38 C ATOM 1718 O LEU A 118 0.284 0.874 16.703 1.00 1.57 O ATOM 1719 CB LEU A 118 1.633 3.129 14.879 1.00 1.40 C ATOM 1720 CG LEU A 118 2.862 3.711 14.147 1.00 1.61 C ATOM 1721 CD1 LEU A 118 2.504 3.928 12.672 1.00 2.60 C ATOM 1722 CD2 LEU A 118 3.354 5.038 14.744 1.00 2.40 C ATOM 0 H LEU A 118 2.630 0.752 16.081 1.00 1.06 H new ATOM 0 HA LEU A 118 2.120 3.527 16.955 1.00 1.19 H new ATOM 0 HB2 LEU A 118 1.267 2.277 14.305 1.00 1.40 H new ATOM 0 HB3 LEU A 118 0.844 3.881 14.871 1.00 1.40 H new ATOM 0 HG LEU A 118 3.673 2.992 14.261 1.00 1.61 H new ATOM 0 HD11 LEU A 118 3.365 4.339 12.145 1.00 2.60 H new ATOM 0 HD12 LEU A 118 2.224 2.976 12.222 1.00 2.60 H new ATOM 0 HD13 LEU A 118 1.668 4.624 12.599 1.00 2.60 H new ATOM 0 HD21 LEU A 118 4.219 5.391 14.183 1.00 2.40 H new ATOM 0 HD22 LEU A 118 2.557 5.780 14.688 1.00 2.40 H new ATOM 0 HD23 LEU A 118 3.635 4.886 15.786 1.00 2.40 H new ATOM 1734 N LYS A 119 -0.287 2.885 17.520 1.00 1.55 N ATOM 1735 CA LYS A 119 -1.542 2.501 18.171 1.00 1.75 C ATOM 1736 C LYS A 119 -2.556 1.917 17.144 1.00 1.17 C ATOM 1737 O LYS A 119 -2.670 2.372 16.005 1.00 0.99 O ATOM 1738 CB LYS A 119 -2.041 3.756 18.939 1.00 2.36 C ATOM 1739 CG LYS A 119 -3.240 3.573 19.878 1.00 2.48 C ATOM 1740 CD LYS A 119 -3.457 4.777 20.820 1.00 3.58 C ATOM 1741 CE LYS A 119 -3.910 6.038 20.073 1.00 5.11 C ATOM 1742 NZ LYS A 119 -4.053 7.206 20.973 1.00 6.52 N ATOM 0 H LYS A 119 -0.100 3.885 17.598 1.00 1.55 H new ATOM 0 HA LYS A 119 -1.406 1.688 18.884 1.00 1.75 H new ATOM 0 HB2 LYS A 119 -1.209 4.146 19.526 1.00 2.36 H new ATOM 0 HB3 LYS A 119 -2.300 4.520 18.206 1.00 2.36 H new ATOM 0 HG2 LYS A 119 -4.140 3.417 19.283 1.00 2.48 H new ATOM 0 HG3 LYS A 119 -3.093 2.673 20.475 1.00 2.48 H new ATOM 0 HD2 LYS A 119 -4.203 4.516 21.570 1.00 3.58 H new ATOM 0 HD3 LYS A 119 -2.530 4.988 21.353 1.00 3.58 H new ATOM 0 HE2 LYS A 119 -3.189 6.272 19.290 1.00 5.11 H new ATOM 0 HE3 LYS A 119 -4.863 5.843 19.581 1.00 5.11 H new ATOM 0 HZ1 LYS A 119 -4.361 8.033 20.422 1.00 6.52 H new ATOM 0 HZ2 LYS A 119 -4.760 6.995 21.706 1.00 6.52 H new ATOM 0 HZ3 LYS A 119 -3.138 7.411 21.424 1.00 6.52 H new ATOM 1756 N VAL A 120 -3.341 0.939 17.574 1.00 1.32 N ATOM 1757 CA VAL A 120 -4.216 0.093 16.728 1.00 1.36 C ATOM 1758 C VAL A 120 -5.152 0.856 15.773 1.00 1.35 C ATOM 1759 O VAL A 120 -5.631 0.259 14.816 1.00 2.01 O ATOM 1760 CB VAL A 120 -4.957 -0.948 17.618 1.00 1.65 C ATOM 1761 CG1 VAL A 120 -6.304 -1.479 17.094 1.00 1.77 C ATOM 1762 CG2 VAL A 120 -4.042 -2.174 17.824 1.00 3.53 C ATOM 0 H VAL A 120 -3.398 0.691 18.562 1.00 1.32 H new ATOM 0 HA VAL A 120 -3.561 -0.435 16.035 1.00 1.36 H new ATOM 0 HB VAL A 120 -5.184 -0.396 18.530 1.00 1.65 H new ATOM 0 HG11 VAL A 120 -6.715 -2.195 17.806 1.00 1.77 H new ATOM 0 HG12 VAL A 120 -7.000 -0.649 16.972 1.00 1.77 H new ATOM 0 HG13 VAL A 120 -6.152 -1.970 16.133 1.00 1.77 H new ATOM 0 HG21 VAL A 120 -4.553 -2.909 18.446 1.00 3.53 H new ATOM 0 HG22 VAL A 120 -3.806 -2.619 16.857 1.00 3.53 H new ATOM 0 HG23 VAL A 120 -3.120 -1.862 18.314 1.00 3.53 H new ATOM 1772 N GLY A 121 -5.402 2.148 16.033 1.00 1.13 N ATOM 1773 CA GLY A 121 -6.307 3.058 15.340 1.00 1.49 C ATOM 1774 C GLY A 121 -5.632 4.367 14.968 1.00 1.49 C ATOM 1775 O GLY A 121 -6.343 5.339 14.771 1.00 1.80 O ATOM 0 H GLY A 121 -4.930 2.618 16.805 1.00 1.13 H new ATOM 0 HA2 GLY A 121 -6.683 2.576 14.438 1.00 1.49 H new ATOM 0 HA3 GLY A 121 -7.169 3.263 15.975 1.00 1.49 H new ATOM 1779 N GLU A 122 -4.308 4.464 15.004 1.00 1.24 N ATOM 1780 CA GLU A 122 -3.595 5.776 14.956 1.00 1.21 C ATOM 1781 C GLU A 122 -3.628 6.394 13.531 1.00 1.31 C ATOM 1782 O GLU A 122 -3.769 5.708 12.507 1.00 1.40 O ATOM 1783 CB GLU A 122 -2.107 5.540 15.361 1.00 1.23 C ATOM 1784 CG GLU A 122 -1.452 6.741 16.035 1.00 1.31 C ATOM 1785 CD GLU A 122 -0.038 6.477 16.547 1.00 1.44 C ATOM 1786 OE1 GLU A 122 0.131 5.722 17.543 1.00 1.94 O ATOM 1787 OE2 GLU A 122 0.881 7.134 16.021 1.00 2.46 O ATOM 0 H GLU A 122 -3.687 3.657 15.066 1.00 1.24 H new ATOM 0 HA GLU A 122 -4.092 6.465 15.639 1.00 1.21 H new ATOM 0 HB2 GLU A 122 -2.055 4.685 16.035 1.00 1.23 H new ATOM 0 HB3 GLU A 122 -1.535 5.279 14.470 1.00 1.23 H new ATOM 0 HG2 GLU A 122 -1.421 7.569 15.327 1.00 1.31 H new ATOM 0 HG3 GLU A 122 -2.075 7.059 16.871 1.00 1.31 H new ATOM 1794 N THR A 123 -3.427 7.708 13.454 1.00 1.49 N ATOM 1795 CA THR A 123 -3.146 8.467 12.223 1.00 1.71 C ATOM 1796 C THR A 123 -1.640 8.388 11.948 1.00 1.43 C ATOM 1797 O THR A 123 -0.828 8.476 12.866 1.00 1.46 O ATOM 1798 CB THR A 123 -3.554 9.941 12.398 1.00 2.20 C ATOM 1799 OG1 THR A 123 -4.848 10.043 12.945 1.00 3.16 O ATOM 1800 CG2 THR A 123 -3.599 10.653 11.041 1.00 2.79 C ATOM 0 H THR A 123 -3.455 8.305 14.281 1.00 1.49 H new ATOM 0 HA THR A 123 -3.714 8.046 11.393 1.00 1.71 H new ATOM 0 HB THR A 123 -2.815 10.396 13.058 1.00 2.20 H new ATOM 0 HG1 THR A 123 -5.086 10.988 13.049 1.00 3.16 H new ATOM 0 HG21 THR A 123 -3.889 11.694 11.186 1.00 2.79 H new ATOM 0 HG22 THR A 123 -2.614 10.612 10.576 1.00 2.79 H new ATOM 0 HG23 THR A 123 -4.326 10.160 10.395 1.00 2.79 H new ATOM 1808 N VAL A 124 -1.267 8.272 10.682 1.00 1.28 N ATOM 1809 CA VAL A 124 0.110 8.087 10.214 1.00 1.19 C ATOM 1810 C VAL A 124 0.313 8.789 8.864 1.00 1.09 C ATOM 1811 O VAL A 124 -0.647 9.032 8.133 1.00 1.15 O ATOM 1812 CB VAL A 124 0.476 6.582 10.214 1.00 1.31 C ATOM 1813 CG1 VAL A 124 -0.430 5.742 9.301 1.00 2.30 C ATOM 1814 CG2 VAL A 124 1.945 6.333 9.844 1.00 2.19 C ATOM 0 H VAL A 124 -1.940 8.305 9.916 1.00 1.28 H new ATOM 0 HA VAL A 124 0.810 8.563 10.901 1.00 1.19 H new ATOM 0 HB VAL A 124 0.315 6.259 11.242 1.00 1.31 H new ATOM 0 HG11 VAL A 124 -0.122 4.697 9.345 1.00 2.30 H new ATOM 0 HG12 VAL A 124 -1.464 5.830 9.634 1.00 2.30 H new ATOM 0 HG13 VAL A 124 -0.347 6.102 8.275 1.00 2.30 H new ATOM 0 HG21 VAL A 124 2.148 5.262 9.859 1.00 2.19 H new ATOM 0 HG22 VAL A 124 2.140 6.725 8.846 1.00 2.19 H new ATOM 0 HG23 VAL A 124 2.592 6.835 10.564 1.00 2.19 H new ATOM 1824 N ASN A 125 1.556 9.169 8.552 1.00 1.07 N ATOM 1825 CA ASN A 125 1.929 9.860 7.311 1.00 1.04 C ATOM 1826 C ASN A 125 2.397 8.830 6.253 1.00 0.91 C ATOM 1827 O ASN A 125 3.175 7.934 6.585 1.00 1.04 O ATOM 1828 CB ASN A 125 3.028 10.896 7.627 1.00 1.24 C ATOM 1829 CG ASN A 125 2.596 11.996 8.610 1.00 1.59 C ATOM 1830 OD1 ASN A 125 2.297 13.116 8.220 1.00 2.92 O ATOM 1831 ND2 ASN A 125 2.556 11.730 9.906 1.00 1.40 N ATOM 0 H ASN A 125 2.351 9.001 9.169 1.00 1.07 H new ATOM 0 HA ASN A 125 1.069 10.385 6.896 1.00 1.04 H new ATOM 0 HB2 ASN A 125 3.893 10.376 8.039 1.00 1.24 H new ATOM 0 HB3 ASN A 125 3.350 11.363 6.696 1.00 1.24 H new ATOM 0 HD21 ASN A 125 2.278 12.455 10.567 1.00 1.40 H new ATOM 0 HD22 ASN A 125 2.803 10.800 10.244 1.00 1.40 H new ATOM 1838 N ILE A 126 1.959 8.934 4.989 1.00 0.87 N ATOM 1839 CA ILE A 126 2.292 7.959 3.923 1.00 0.77 C ATOM 1840 C ILE A 126 2.518 8.631 2.559 1.00 0.76 C ATOM 1841 O ILE A 126 2.152 9.795 2.371 1.00 0.82 O ATOM 1842 CB ILE A 126 1.219 6.836 3.892 1.00 0.78 C ATOM 1843 CG1 ILE A 126 1.817 5.483 3.455 1.00 1.28 C ATOM 1844 CG2 ILE A 126 0.022 7.211 3.006 1.00 1.19 C ATOM 1845 CD1 ILE A 126 0.907 4.278 3.731 1.00 2.11 C ATOM 0 H ILE A 126 1.362 9.697 4.670 1.00 0.87 H new ATOM 0 HA ILE A 126 3.250 7.495 4.158 1.00 0.77 H new ATOM 0 HB ILE A 126 0.855 6.727 4.914 1.00 0.78 H new ATOM 0 HG12 ILE A 126 2.036 5.522 2.388 1.00 1.28 H new ATOM 0 HG13 ILE A 126 2.766 5.334 3.970 1.00 1.28 H new ATOM 0 HG21 ILE A 126 -0.704 6.398 3.013 1.00 1.19 H new ATOM 0 HG22 ILE A 126 -0.445 8.118 3.390 1.00 1.19 H new ATOM 0 HG23 ILE A 126 0.364 7.383 1.986 1.00 1.19 H new ATOM 0 HD11 ILE A 126 1.400 3.366 3.395 1.00 2.11 H new ATOM 0 HD12 ILE A 126 0.708 4.210 4.800 1.00 2.11 H new ATOM 0 HD13 ILE A 126 -0.033 4.402 3.194 1.00 2.11 H new ATOM 1857 N THR A 127 3.153 7.911 1.620 1.00 0.86 N ATOM 1858 CA THR A 127 3.643 8.456 0.345 1.00 0.93 C ATOM 1859 C THR A 127 3.045 7.716 -0.852 1.00 0.90 C ATOM 1860 O THR A 127 3.222 6.502 -0.942 1.00 1.19 O ATOM 1861 CB THR A 127 5.176 8.414 0.313 1.00 1.17 C ATOM 1862 OG1 THR A 127 5.689 8.924 1.526 1.00 1.37 O ATOM 1863 CG2 THR A 127 5.702 9.312 -0.804 1.00 1.69 C ATOM 0 H THR A 127 3.343 6.915 1.729 1.00 0.86 H new ATOM 0 HA THR A 127 3.319 9.494 0.271 1.00 0.93 H new ATOM 0 HB THR A 127 5.485 7.380 0.156 1.00 1.17 H new ATOM 0 HG1 THR A 127 6.668 8.895 1.505 1.00 1.37 H new ATOM 0 HG21 THR A 127 6.791 9.275 -0.818 1.00 1.69 H new ATOM 0 HG22 THR A 127 5.315 8.966 -1.762 1.00 1.69 H new ATOM 0 HG23 THR A 127 5.376 10.338 -0.630 1.00 1.69 H new ATOM 1871 N LEU A 128 2.388 8.429 -1.780 1.00 0.77 N ATOM 1872 CA LEU A 128 1.930 7.910 -3.084 1.00 0.85 C ATOM 1873 C LEU A 128 2.342 8.856 -4.234 1.00 1.01 C ATOM 1874 O LEU A 128 1.521 9.564 -4.807 1.00 2.10 O ATOM 1875 CB LEU A 128 0.397 7.679 -3.077 1.00 1.08 C ATOM 1876 CG LEU A 128 -0.083 6.469 -2.248 1.00 1.92 C ATOM 1877 CD1 LEU A 128 -0.418 6.836 -0.797 1.00 2.63 C ATOM 1878 CD2 LEU A 128 -1.320 5.830 -2.892 1.00 2.66 C ATOM 0 H LEU A 128 2.152 9.412 -1.642 1.00 0.77 H new ATOM 0 HA LEU A 128 2.416 6.949 -3.253 1.00 0.85 H new ATOM 0 HB2 LEU A 128 -0.088 8.577 -2.693 1.00 1.08 H new ATOM 0 HB3 LEU A 128 0.061 7.550 -4.106 1.00 1.08 H new ATOM 0 HG LEU A 128 0.747 5.763 -2.235 1.00 1.92 H new ATOM 0 HD11 LEU A 128 -0.750 5.945 -0.264 1.00 2.63 H new ATOM 0 HD12 LEU A 128 0.469 7.241 -0.310 1.00 2.63 H new ATOM 0 HD13 LEU A 128 -1.212 7.583 -0.785 1.00 2.63 H new ATOM 0 HD21 LEU A 128 -1.643 4.979 -2.293 1.00 2.66 H new ATOM 0 HD22 LEU A 128 -2.124 6.564 -2.943 1.00 2.66 H new ATOM 0 HD23 LEU A 128 -1.073 5.492 -3.898 1.00 2.66 H new ATOM 1890 N LYS A 129 3.617 8.910 -4.617 1.00 1.16 N ATOM 1891 CA LYS A 129 4.090 9.848 -5.646 1.00 1.34 C ATOM 1892 C LYS A 129 3.605 9.406 -7.048 1.00 1.39 C ATOM 1893 O LYS A 129 3.924 8.324 -7.534 1.00 1.75 O ATOM 1894 CB LYS A 129 5.630 9.946 -5.541 1.00 1.76 C ATOM 1895 CG LYS A 129 6.291 11.194 -6.159 1.00 2.33 C ATOM 1896 CD LYS A 129 6.021 11.380 -7.656 1.00 3.03 C ATOM 1897 CE LYS A 129 6.877 12.489 -8.270 1.00 4.14 C ATOM 1898 NZ LYS A 129 6.422 12.778 -9.650 1.00 5.47 N ATOM 0 H LYS A 129 4.348 8.313 -4.230 1.00 1.16 H new ATOM 0 HA LYS A 129 3.673 10.842 -5.486 1.00 1.34 H new ATOM 0 HB2 LYS A 129 5.902 9.905 -4.486 1.00 1.76 H new ATOM 0 HB3 LYS A 129 6.060 9.064 -6.016 1.00 1.76 H new ATOM 0 HG2 LYS A 129 5.939 12.078 -5.627 1.00 2.33 H new ATOM 0 HG3 LYS A 129 7.368 11.135 -6.001 1.00 2.33 H new ATOM 0 HD2 LYS A 129 6.217 10.443 -8.177 1.00 3.03 H new ATOM 0 HD3 LYS A 129 4.967 11.613 -7.806 1.00 3.03 H new ATOM 0 HE2 LYS A 129 6.810 13.390 -7.661 1.00 4.14 H new ATOM 0 HE3 LYS A 129 7.924 12.188 -8.280 1.00 4.14 H new ATOM 0 HZ1 LYS A 129 7.202 12.606 -10.316 1.00 5.47 H new ATOM 0 HZ2 LYS A 129 5.621 12.159 -9.888 1.00 5.47 H new ATOM 0 HZ3 LYS A 129 6.123 13.772 -9.716 1.00 5.47 H new ATOM 1912 N ALA A 130 2.821 10.262 -7.709 1.00 1.32 N ATOM 1913 CA ALA A 130 2.257 10.030 -9.047 1.00 1.30 C ATOM 1914 C ALA A 130 3.272 10.066 -10.213 1.00 1.34 C ATOM 1915 O ALA A 130 4.141 10.941 -10.264 1.00 1.63 O ATOM 1916 CB ALA A 130 1.125 11.037 -9.289 1.00 1.45 C ATOM 0 H ALA A 130 2.551 11.165 -7.318 1.00 1.32 H new ATOM 0 HA ALA A 130 1.887 9.005 -9.045 1.00 1.30 H new ATOM 0 HB1 ALA A 130 0.699 10.874 -10.279 1.00 1.45 H new ATOM 0 HB2 ALA A 130 0.351 10.902 -8.534 1.00 1.45 H new ATOM 0 HB3 ALA A 130 1.520 12.051 -9.226 1.00 1.45 H new ATOM 1922 N THR A 131 3.059 9.154 -11.180 1.00 1.32 N ATOM 1923 CA THR A 131 3.921 8.841 -12.346 1.00 1.51 C ATOM 1924 C THR A 131 4.116 9.961 -13.377 1.00 1.72 C ATOM 1925 O THR A 131 4.951 9.805 -14.266 1.00 2.32 O ATOM 1926 CB THR A 131 3.420 7.555 -13.027 1.00 1.70 C ATOM 1927 OG1 THR A 131 4.462 7.077 -13.838 1.00 2.24 O ATOM 1928 CG2 THR A 131 2.165 7.750 -13.884 1.00 2.13 C ATOM 0 H THR A 131 2.221 8.572 -11.171 1.00 1.32 H new ATOM 0 HA THR A 131 4.918 8.707 -11.926 1.00 1.51 H new ATOM 0 HB THR A 131 3.139 6.852 -12.243 1.00 1.70 H new ATOM 0 HG1 THR A 131 4.934 7.834 -14.244 1.00 2.24 H new ATOM 0 HG21 THR A 131 1.877 6.798 -14.329 1.00 2.13 H new ATOM 0 HG22 THR A 131 1.352 8.120 -13.259 1.00 2.13 H new ATOM 0 HG23 THR A 131 2.373 8.471 -14.674 1.00 2.13 H new ATOM 1936 N ASP A 132 3.359 11.047 -13.249 1.00 1.65 N ATOM 1937 CA ASP A 132 3.621 12.374 -13.819 1.00 2.07 C ATOM 1938 C ASP A 132 2.749 13.394 -13.071 1.00 2.34 C ATOM 1939 O ASP A 132 1.765 13.931 -13.581 1.00 2.91 O ATOM 1940 CB ASP A 132 3.440 12.440 -15.345 1.00 2.39 C ATOM 1941 CG ASP A 132 3.784 13.842 -15.864 1.00 3.08 C ATOM 1942 OD1 ASP A 132 4.772 14.434 -15.356 1.00 4.03 O ATOM 1943 OD2 ASP A 132 3.047 14.334 -16.751 1.00 3.86 O ATOM 0 H ASP A 132 2.492 11.027 -12.712 1.00 1.65 H new ATOM 0 HA ASP A 132 4.675 12.615 -13.676 1.00 2.07 H new ATOM 0 HB2 ASP A 132 4.080 11.700 -15.826 1.00 2.39 H new ATOM 0 HB3 ASP A 132 2.412 12.190 -15.607 1.00 2.39 H new ATOM 1948 N GLY A 133 3.059 13.585 -11.786 1.00 2.35 N ATOM 1949 CA GLY A 133 2.341 14.542 -10.946 1.00 2.74 C ATOM 1950 C GLY A 133 2.654 14.469 -9.456 1.00 2.62 C ATOM 1951 O GLY A 133 3.655 13.885 -9.025 1.00 3.29 O ATOM 0 H GLY A 133 3.807 13.086 -11.304 1.00 2.35 H new ATOM 0 HA2 GLY A 133 2.566 15.549 -11.298 1.00 2.74 H new ATOM 0 HA3 GLY A 133 1.271 14.388 -11.083 1.00 2.74 H new ATOM 1955 N ARG A 134 1.763 15.096 -8.682 1.00 2.72 N ATOM 1956 CA ARG A 134 1.948 15.475 -7.277 1.00 3.10 C ATOM 1957 C ARG A 134 0.862 14.835 -6.394 1.00 3.25 C ATOM 1958 O ARG A 134 -0.291 15.272 -6.390 1.00 4.12 O ATOM 1959 CB ARG A 134 1.901 17.013 -7.225 1.00 3.82 C ATOM 1960 CG ARG A 134 2.217 17.598 -5.846 1.00 5.20 C ATOM 1961 CD ARG A 134 1.974 19.110 -5.849 1.00 6.20 C ATOM 1962 NE ARG A 134 2.391 19.690 -4.566 1.00 7.51 N ATOM 1963 CZ ARG A 134 1.828 20.669 -3.873 1.00 8.88 C ATOM 1964 NH1 ARG A 134 0.889 21.437 -4.390 1.00 9.43 N ATOM 1965 NH2 ARG A 134 2.231 20.855 -2.633 1.00 10.10 N ATOM 0 H ARG A 134 0.846 15.367 -9.036 1.00 2.72 H new ATOM 0 HA ARG A 134 2.901 15.116 -6.890 1.00 3.10 H new ATOM 0 HB2 ARG A 134 2.610 17.413 -7.949 1.00 3.82 H new ATOM 0 HB3 ARG A 134 0.910 17.347 -7.532 1.00 3.82 H new ATOM 0 HG2 ARG A 134 1.593 17.123 -5.089 1.00 5.20 H new ATOM 0 HG3 ARG A 134 3.254 17.389 -5.582 1.00 5.20 H new ATOM 0 HD2 ARG A 134 2.529 19.574 -6.664 1.00 6.20 H new ATOM 0 HD3 ARG A 134 0.918 19.316 -6.024 1.00 6.20 H new ATOM 0 HE ARG A 134 3.229 19.283 -4.151 1.00 7.51 H new ATOM 0 HH11 ARG A 134 0.577 21.285 -5.349 1.00 9.43 H new ATOM 0 HH12 ARG A 134 0.475 22.183 -3.831 1.00 9.43 H new ATOM 0 HH21 ARG A 134 2.954 20.255 -2.236 1.00 10.10 H new ATOM 0 HH22 ARG A 134 1.820 21.599 -2.069 1.00 10.10 H new ATOM 1979 N THR A 135 1.250 13.781 -5.656 1.00 2.98 N ATOM 1980 CA THR A 135 0.369 12.964 -4.780 1.00 3.32 C ATOM 1981 C THR A 135 1.097 12.310 -3.601 1.00 2.43 C ATOM 1982 O THR A 135 0.487 11.574 -2.849 1.00 3.84 O ATOM 1983 CB THR A 135 -0.452 11.940 -5.598 1.00 4.85 C ATOM 1984 OG1 THR A 135 -0.953 12.557 -6.756 1.00 5.87 O ATOM 1985 CG2 THR A 135 -1.681 11.360 -4.889 1.00 5.83 C ATOM 0 H THR A 135 2.217 13.457 -5.647 1.00 2.98 H new ATOM 0 HA THR A 135 -0.330 13.667 -4.326 1.00 3.32 H new ATOM 0 HB THR A 135 0.252 11.129 -5.785 1.00 4.85 H new ATOM 0 HG1 THR A 135 -1.472 11.907 -7.275 1.00 5.87 H new ATOM 0 HG21 THR A 135 -2.183 10.654 -5.551 1.00 5.83 H new ATOM 0 HG22 THR A 135 -1.368 10.846 -3.980 1.00 5.83 H new ATOM 0 HG23 THR A 135 -2.367 12.167 -4.631 1.00 5.83 H new ATOM 1993 N LEU A 136 2.391 12.602 -3.421 1.00 1.35 N ATOM 1994 CA LEU A 136 3.280 12.086 -2.385 1.00 1.52 C ATOM 1995 C LEU A 136 2.661 12.143 -0.982 1.00 1.09 C ATOM 1996 O LEU A 136 2.152 11.121 -0.543 1.00 0.96 O ATOM 1997 CB LEU A 136 4.699 12.700 -2.487 1.00 2.91 C ATOM 1998 CG LEU A 136 4.843 14.234 -2.648 1.00 3.77 C ATOM 1999 CD1 LEU A 136 6.143 14.697 -1.972 1.00 4.95 C ATOM 2000 CD2 LEU A 136 4.872 14.662 -4.126 1.00 4.90 C ATOM 0 H LEU A 136 2.874 13.251 -4.042 1.00 1.35 H new ATOM 0 HA LEU A 136 3.411 11.020 -2.573 1.00 1.52 H new ATOM 0 HB2 LEU A 136 5.248 12.410 -1.591 1.00 2.91 H new ATOM 0 HB3 LEU A 136 5.200 12.232 -3.334 1.00 2.91 H new ATOM 0 HG LEU A 136 3.974 14.696 -2.179 1.00 3.77 H new ATOM 0 HD11 LEU A 136 6.247 15.776 -2.084 1.00 4.95 H new ATOM 0 HD12 LEU A 136 6.112 14.443 -0.912 1.00 4.95 H new ATOM 0 HD13 LEU A 136 6.993 14.200 -2.440 1.00 4.95 H new ATOM 0 HD21 LEU A 136 4.974 15.745 -4.189 1.00 4.90 H new ATOM 0 HD22 LEU A 136 5.717 14.188 -4.625 1.00 4.90 H new ATOM 0 HD23 LEU A 136 3.945 14.356 -4.612 1.00 4.90 H new ATOM 2012 N ASN A 137 2.716 13.262 -0.254 1.00 1.28 N ATOM 2013 CA ASN A 137 2.201 13.341 1.118 1.00 1.30 C ATOM 2014 C ASN A 137 0.697 13.039 1.172 1.00 1.49 C ATOM 2015 O ASN A 137 -0.124 13.861 0.763 1.00 2.03 O ATOM 2016 CB ASN A 137 2.495 14.709 1.758 1.00 1.68 C ATOM 2017 CG ASN A 137 1.935 14.741 3.182 1.00 2.15 C ATOM 2018 OD1 ASN A 137 2.424 14.050 4.060 1.00 3.01 O ATOM 2019 ND2 ASN A 137 0.854 15.457 3.445 1.00 2.83 N ATOM 0 H ASN A 137 3.117 14.135 -0.596 1.00 1.28 H new ATOM 0 HA ASN A 137 2.724 12.579 1.696 1.00 1.30 H new ATOM 0 HB2 ASN A 137 3.570 14.890 1.775 1.00 1.68 H new ATOM 0 HB3 ASN A 137 2.047 15.504 1.162 1.00 1.68 H new ATOM 0 HD21 ASN A 137 0.437 15.428 4.375 1.00 2.83 H new ATOM 0 HD22 ASN A 137 0.438 16.038 2.717 1.00 2.83 H new ATOM 2026 N VAL A 138 0.363 11.869 1.703 1.00 1.20 N ATOM 2027 CA VAL A 138 -1.007 11.435 2.012 1.00 1.34 C ATOM 2028 C VAL A 138 -1.161 11.182 3.519 1.00 1.07 C ATOM 2029 O VAL A 138 -0.253 10.648 4.159 1.00 1.01 O ATOM 2030 CB VAL A 138 -1.374 10.192 1.164 1.00 1.65 C ATOM 2031 CG1 VAL A 138 -2.664 9.481 1.610 1.00 1.82 C ATOM 2032 CG2 VAL A 138 -1.565 10.616 -0.303 1.00 2.17 C ATOM 0 H VAL A 138 1.061 11.165 1.942 1.00 1.20 H new ATOM 0 HA VAL A 138 -1.708 12.227 1.749 1.00 1.34 H new ATOM 0 HB VAL A 138 -0.549 9.492 1.296 1.00 1.65 H new ATOM 0 HG11 VAL A 138 -2.848 8.622 0.964 1.00 1.82 H new ATOM 0 HG12 VAL A 138 -2.556 9.143 2.641 1.00 1.82 H new ATOM 0 HG13 VAL A 138 -3.503 10.173 1.541 1.00 1.82 H new ATOM 0 HG21 VAL A 138 -1.823 9.744 -0.903 1.00 2.17 H new ATOM 0 HG22 VAL A 138 -2.367 11.351 -0.368 1.00 2.17 H new ATOM 0 HG23 VAL A 138 -0.640 11.054 -0.679 1.00 2.17 H new ATOM 2042 N ALA A 139 -2.319 11.540 4.086 1.00 1.29 N ATOM 2043 CA ALA A 139 -2.714 11.155 5.443 1.00 1.33 C ATOM 2044 C ALA A 139 -3.372 9.763 5.453 1.00 1.31 C ATOM 2045 O ALA A 139 -4.210 9.430 4.612 1.00 1.49 O ATOM 2046 CB ALA A 139 -3.641 12.222 6.034 1.00 1.75 C ATOM 0 H ALA A 139 -3.015 12.112 3.608 1.00 1.29 H new ATOM 0 HA ALA A 139 -1.823 11.090 6.067 1.00 1.33 H new ATOM 0 HB1 ALA A 139 -3.933 11.932 7.043 1.00 1.75 H new ATOM 0 HB2 ALA A 139 -3.120 13.179 6.068 1.00 1.75 H new ATOM 0 HB3 ALA A 139 -4.531 12.316 5.412 1.00 1.75 H new ATOM 2052 N ALA A 140 -3.002 8.950 6.440 1.00 1.34 N ATOM 2053 CA ALA A 140 -3.228 7.506 6.469 1.00 1.24 C ATOM 2054 C ALA A 140 -3.439 6.989 7.898 1.00 1.10 C ATOM 2055 O ALA A 140 -3.339 7.755 8.867 1.00 1.24 O ATOM 2056 CB ALA A 140 -2.010 6.867 5.792 1.00 1.33 C ATOM 0 H ALA A 140 -2.519 9.290 7.272 1.00 1.34 H new ATOM 0 HA ALA A 140 -4.143 7.242 5.939 1.00 1.24 H new ATOM 0 HB1 ALA A 140 -2.125 5.783 5.785 1.00 1.33 H new ATOM 0 HB2 ALA A 140 -1.931 7.230 4.767 1.00 1.33 H new ATOM 0 HB3 ALA A 140 -1.107 7.133 6.342 1.00 1.33 H new ATOM 2062 N THR A 141 -3.760 5.696 8.019 1.00 0.98 N ATOM 2063 CA THR A 141 -4.398 5.149 9.215 1.00 0.98 C ATOM 2064 C THR A 141 -3.799 3.813 9.600 1.00 0.86 C ATOM 2065 O THR A 141 -3.332 3.055 8.757 1.00 0.86 O ATOM 2066 CB THR A 141 -5.925 5.012 9.045 1.00 1.17 C ATOM 2067 OG1 THR A 141 -6.451 5.678 7.916 1.00 1.54 O ATOM 2068 CG2 THR A 141 -6.640 5.574 10.275 1.00 1.59 C ATOM 0 H THR A 141 -3.584 5.003 7.291 1.00 0.98 H new ATOM 0 HA THR A 141 -4.210 5.861 10.019 1.00 0.98 H new ATOM 0 HB THR A 141 -6.098 3.944 8.913 1.00 1.17 H new ATOM 0 HG1 THR A 141 -6.383 5.095 7.131 1.00 1.54 H new ATOM 0 HG21 THR A 141 -7.718 5.473 10.147 1.00 1.59 H new ATOM 0 HG22 THR A 141 -6.327 5.022 11.162 1.00 1.59 H new ATOM 0 HG23 THR A 141 -6.385 6.627 10.394 1.00 1.59 H new ATOM 2076 N VAL A 142 -3.900 3.471 10.871 1.00 0.93 N ATOM 2077 CA VAL A 142 -3.710 2.110 11.377 1.00 0.91 C ATOM 2078 C VAL A 142 -5.091 1.527 11.717 1.00 1.05 C ATOM 2079 O VAL A 142 -5.942 2.255 12.224 1.00 1.28 O ATOM 2080 CB VAL A 142 -2.791 2.146 12.620 1.00 1.03 C ATOM 2081 CG1 VAL A 142 -2.429 0.726 13.057 1.00 1.32 C ATOM 2082 CG2 VAL A 142 -1.480 2.924 12.393 1.00 1.33 C ATOM 0 H VAL A 142 -4.122 4.144 11.605 1.00 0.93 H new ATOM 0 HA VAL A 142 -3.232 1.478 10.628 1.00 0.91 H new ATOM 0 HB VAL A 142 -3.362 2.664 13.391 1.00 1.03 H new ATOM 0 HG11 VAL A 142 -1.782 0.769 13.933 1.00 1.32 H new ATOM 0 HG12 VAL A 142 -3.338 0.178 13.304 1.00 1.32 H new ATOM 0 HG13 VAL A 142 -1.908 0.217 12.246 1.00 1.32 H new ATOM 0 HG21 VAL A 142 -0.885 2.908 13.306 1.00 1.33 H new ATOM 0 HG22 VAL A 142 -0.916 2.459 11.584 1.00 1.33 H new ATOM 0 HG23 VAL A 142 -1.710 3.956 12.128 1.00 1.33 H new ATOM 2092 N LYS A 143 -5.332 0.235 11.439 1.00 1.07 N ATOM 2093 CA LYS A 143 -6.520 -0.514 11.929 1.00 1.24 C ATOM 2094 C LYS A 143 -6.192 -2.012 12.210 1.00 1.32 C ATOM 2095 O LYS A 143 -6.581 -2.904 11.457 1.00 1.91 O ATOM 2096 CB LYS A 143 -7.732 -0.405 10.959 1.00 1.40 C ATOM 2097 CG LYS A 143 -8.535 0.912 10.947 1.00 2.55 C ATOM 2098 CD LYS A 143 -8.178 1.866 9.796 1.00 3.68 C ATOM 2099 CE LYS A 143 -9.083 3.112 9.790 1.00 5.20 C ATOM 2100 NZ LYS A 143 -10.462 2.826 9.312 1.00 5.01 N ATOM 0 H LYS A 143 -4.708 -0.331 10.864 1.00 1.07 H new ATOM 0 HA LYS A 143 -6.801 -0.042 12.871 1.00 1.24 H new ATOM 0 HB2 LYS A 143 -7.367 -0.582 9.947 1.00 1.40 H new ATOM 0 HB3 LYS A 143 -8.422 -1.215 11.195 1.00 1.40 H new ATOM 0 HG2 LYS A 143 -9.597 0.675 10.889 1.00 2.55 H new ATOM 0 HG3 LYS A 143 -8.375 1.429 11.893 1.00 2.55 H new ATOM 0 HD2 LYS A 143 -7.136 2.173 9.887 1.00 3.68 H new ATOM 0 HD3 LYS A 143 -8.274 1.342 8.845 1.00 3.68 H new ATOM 0 HE2 LYS A 143 -9.132 3.524 10.798 1.00 5.20 H new ATOM 0 HE3 LYS A 143 -8.635 3.876 9.155 1.00 5.20 H new ATOM 0 HZ1 LYS A 143 -11.024 3.701 9.330 1.00 5.01 H new ATOM 0 HZ2 LYS A 143 -10.423 2.459 8.340 1.00 5.01 H new ATOM 0 HZ3 LYS A 143 -10.904 2.118 9.932 1.00 5.01 H new ATOM 2114 N LYS A 144 -5.473 -2.305 13.303 1.00 1.52 N ATOM 2115 CA LYS A 144 -5.123 -3.680 13.750 1.00 1.82 C ATOM 2116 C LYS A 144 -4.332 -4.508 12.697 1.00 2.20 C ATOM 2117 O LYS A 144 -3.787 -3.929 11.760 1.00 3.57 O ATOM 2118 CB LYS A 144 -6.387 -4.372 14.327 1.00 2.56 C ATOM 2119 CG LYS A 144 -6.134 -4.955 15.733 1.00 3.35 C ATOM 2120 CD LYS A 144 -7.438 -5.205 16.510 1.00 4.31 C ATOM 2121 CE LYS A 144 -7.176 -5.210 18.024 1.00 5.59 C ATOM 2122 NZ LYS A 144 -8.429 -5.314 18.808 1.00 6.62 N ATOM 0 H LYS A 144 -5.105 -1.582 13.922 1.00 1.52 H new ATOM 0 HA LYS A 144 -4.398 -3.608 14.561 1.00 1.82 H new ATOM 0 HB2 LYS A 144 -7.205 -3.653 14.374 1.00 2.56 H new ATOM 0 HB3 LYS A 144 -6.703 -5.170 13.655 1.00 2.56 H new ATOM 0 HG2 LYS A 144 -5.584 -5.892 15.641 1.00 3.35 H new ATOM 0 HG3 LYS A 144 -5.503 -4.270 16.299 1.00 3.35 H new ATOM 0 HD2 LYS A 144 -8.167 -4.433 16.265 1.00 4.31 H new ATOM 0 HD3 LYS A 144 -7.870 -6.159 16.208 1.00 4.31 H new ATOM 0 HE2 LYS A 144 -6.522 -6.045 18.275 1.00 5.59 H new ATOM 0 HE3 LYS A 144 -6.649 -4.297 18.303 1.00 5.59 H new ATOM 0 HZ1 LYS A 144 -8.204 -5.314 19.823 1.00 6.62 H new ATOM 0 HZ2 LYS A 144 -9.044 -4.504 18.589 1.00 6.62 H new ATOM 0 HZ3 LYS A 144 -8.920 -6.197 18.562 1.00 6.62 H new ATOM 2136 N ASN A 145 -4.185 -5.839 12.853 1.00 2.14 N ATOM 2137 CA ASN A 145 -3.320 -6.668 11.977 1.00 3.31 C ATOM 2138 C ASN A 145 -3.663 -8.168 11.852 1.00 2.75 C ATOM 2139 O ASN A 145 -2.818 -8.929 11.390 1.00 3.91 O ATOM 2140 CB ASN A 145 -1.828 -6.526 12.358 1.00 5.41 C ATOM 2141 CG ASN A 145 -1.404 -7.346 13.581 1.00 7.02 C ATOM 2142 OD1 ASN A 145 -2.236 -7.766 14.377 1.00 7.26 O ATOM 2143 ND2 ASN A 145 -0.126 -7.644 13.742 1.00 8.60 N ATOM 0 H ASN A 145 -4.658 -6.371 13.584 1.00 2.14 H new ATOM 0 HA ASN A 145 -3.528 -6.249 10.992 1.00 3.31 H new ATOM 0 HB2 ASN A 145 -1.218 -6.826 11.506 1.00 5.41 H new ATOM 0 HB3 ASN A 145 -1.613 -5.475 12.549 1.00 5.41 H new ATOM 0 HD21 ASN A 145 0.167 -8.223 14.529 1.00 8.60 H new ATOM 0 HD22 ASN A 145 0.567 -7.295 13.080 1.00 8.60 H new ATOM 2150 N ILE A 146 -4.849 -8.621 12.285 1.00 2.14 N ATOM 2151 CA ILE A 146 -5.352 -10.018 12.157 1.00 2.73 C ATOM 2152 C ILE A 146 -4.685 -10.993 13.156 1.00 3.07 C ATOM 2153 O ILE A 146 -5.342 -11.954 13.555 1.00 3.75 O ATOM 2154 CB ILE A 146 -5.321 -10.507 10.674 1.00 3.22 C ATOM 2155 CG1 ILE A 146 -6.216 -9.597 9.792 1.00 4.23 C ATOM 2156 CG2 ILE A 146 -5.773 -11.976 10.542 1.00 4.69 C ATOM 2157 CD1 ILE A 146 -6.102 -9.854 8.283 1.00 4.96 C ATOM 0 H ILE A 146 -5.518 -8.010 12.753 1.00 2.14 H new ATOM 0 HA ILE A 146 -6.403 -10.010 12.447 1.00 2.73 H new ATOM 0 HB ILE A 146 -4.288 -10.446 10.331 1.00 3.22 H new ATOM 0 HG12 ILE A 146 -7.255 -9.732 10.092 1.00 4.23 H new ATOM 0 HG13 ILE A 146 -5.959 -8.556 9.990 1.00 4.23 H new ATOM 0 HG21 ILE A 146 -5.736 -12.275 9.495 1.00 4.69 H new ATOM 0 HG22 ILE A 146 -5.110 -12.615 11.125 1.00 4.69 H new ATOM 0 HG23 ILE A 146 -6.793 -12.078 10.913 1.00 4.69 H new ATOM 0 HD11 ILE A 146 -6.762 -9.172 7.747 1.00 4.96 H new ATOM 0 HD12 ILE A 146 -5.073 -9.689 7.963 1.00 4.96 H new ATOM 0 HD13 ILE A 146 -6.389 -10.883 8.066 1.00 4.96 H new ATOM 2169 N GLU A 147 -3.471 -10.722 13.649 1.00 2.98 N ATOM 2170 CA GLU A 147 -2.956 -11.363 14.869 1.00 3.71 C ATOM 2171 C GLU A 147 -3.676 -10.792 16.103 1.00 4.02 C ATOM 2172 O GLU A 147 -4.369 -11.533 16.796 1.00 4.95 O ATOM 2173 CB GLU A 147 -1.422 -11.275 14.952 1.00 4.43 C ATOM 2174 CG GLU A 147 -0.873 -12.091 16.136 1.00 5.47 C ATOM 2175 CD GLU A 147 0.543 -12.610 15.880 1.00 6.52 C ATOM 2176 OE1 GLU A 147 0.692 -13.397 14.913 1.00 6.85 O ATOM 2177 OE2 GLU A 147 1.468 -12.299 16.663 1.00 7.71 O ATOM 0 H GLU A 147 -2.823 -10.061 13.221 1.00 2.98 H new ATOM 0 HA GLU A 147 -3.177 -12.430 14.836 1.00 3.71 H new ATOM 0 HB2 GLU A 147 -0.985 -11.641 14.023 1.00 4.43 H new ATOM 0 HB3 GLU A 147 -1.122 -10.232 15.057 1.00 4.43 H new ATOM 0 HG2 GLU A 147 -0.873 -11.471 17.032 1.00 5.47 H new ATOM 0 HG3 GLU A 147 -1.536 -12.934 16.331 1.00 5.47 H new