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 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 86 MET CE :methyl -132:sc= 0 (180deg=0) USER MOD Set 2.1: A 70 THR OG1 : rot 120:sc= 0.554 USER MOD Set 2.2: A 115 LYS NZ :NH3+ -148:sc= 1.01 (180deg=0.528) USER MOD Set 3.1: A 50 THR OG1 : rot -109:sc= 0.418 USER MOD Set 3.2: A 103 GLN :FLIP amide:sc= 0.38 F(o=0.028,f=0.8) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.631 K(o=-0.63,f=-5.4!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -41:sc= 0.676 USER MOD Single : A 45 THR OG1 : rot -143:sc= 1.23 USER MOD Single : A 48 TYR OH : rot 164:sc= 0.948 USER MOD Single : A 49 MET CE :methyl -175:sc= -0.112 (180deg=-0.159) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0308 USER MOD Single : A 53 ASN : amide:sc= 0.668 K(o=0.67,f=-1.3) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 63:sc= 1.24 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= 0.461 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -126:sc= 0.553 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0748 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0203 USER MOD Single : A 79 HIS : no HD1:sc=-0.00692 X(o=-0.0069,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= 1.23 (180deg=0.8) USER MOD Single : A 88 MET CE :methyl 168:sc= -0.0343 (180deg=-0.282) 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 -77:sc= 1.26 USER MOD Single : A 108 HIS : no HE2:sc= -0.364 K(o=-0.36,f=-1.3) USER MOD Single : A 110 MET CE :methyl -126:sc= 0 (180deg=-0.014) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -110:sc= -0.139 USER MOD Single : A 125 ASN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= 0.25 K(o=0.25,f=-1.9!) USER MOD Single : A 141 THR OG1 : rot 180:sc= -0.0285 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= 0.611 K(o=0.61,f=0) USER MOD ----------------------------------------------------------------- ATOM 369 N VAL A 28 -13.029 7.332 -7.511 1.00 4.00 N ATOM 370 CA VAL A 28 -13.622 6.404 -6.536 1.00 2.63 C ATOM 371 C VAL A 28 -12.547 5.437 -6.017 1.00 3.32 C ATOM 372 O VAL A 28 -11.706 4.981 -6.786 1.00 5.01 O ATOM 373 CB VAL A 28 -14.865 5.709 -7.143 1.00 2.97 C ATOM 374 CG1 VAL A 28 -14.640 5.098 -8.535 1.00 4.40 C ATOM 375 CG2 VAL A 28 -15.469 4.674 -6.185 1.00 3.78 C ATOM 0 HA VAL A 28 -13.987 6.948 -5.665 1.00 2.63 H new ATOM 0 HB VAL A 28 -15.584 6.516 -7.286 1.00 2.97 H new ATOM 0 HG11 VAL A 28 -15.563 4.633 -8.882 1.00 4.40 H new ATOM 0 HG12 VAL A 28 -14.344 5.881 -9.233 1.00 4.40 H new ATOM 0 HG13 VAL A 28 -13.853 4.346 -8.479 1.00 4.40 H new ATOM 0 HG21 VAL A 28 -16.339 4.211 -6.651 1.00 3.78 H new ATOM 0 HG22 VAL A 28 -14.726 3.908 -5.961 1.00 3.78 H new ATOM 0 HG23 VAL A 28 -15.772 5.167 -5.261 1.00 3.78 H new ATOM 385 N THR A 29 -12.561 5.167 -4.704 1.00 2.56 N ATOM 386 CA THR A 29 -11.612 4.291 -3.990 1.00 3.17 C ATOM 387 C THR A 29 -12.238 3.768 -2.701 1.00 2.18 C ATOM 388 O THR A 29 -13.220 4.352 -2.233 1.00 2.71 O ATOM 389 CB THR A 29 -10.287 4.995 -3.627 1.00 4.73 C ATOM 390 OG1 THR A 29 -10.432 5.747 -2.447 1.00 5.41 O ATOM 391 CG2 THR A 29 -9.670 5.929 -4.666 1.00 6.47 C ATOM 0 H THR A 29 -13.262 5.568 -4.081 1.00 2.56 H new ATOM 0 HA THR A 29 -11.387 3.476 -4.678 1.00 3.17 H new ATOM 0 HB THR A 29 -9.605 4.150 -3.533 1.00 4.73 H new ATOM 0 HG1 THR A 29 -9.582 6.185 -2.232 1.00 5.41 H new ATOM 0 HG21 THR A 29 -8.745 6.350 -4.273 1.00 6.47 H new ATOM 0 HG22 THR A 29 -9.456 5.369 -5.577 1.00 6.47 H new ATOM 0 HG23 THR A 29 -10.369 6.735 -4.891 1.00 6.47 H new ATOM 399 N VAL A 30 -11.617 2.765 -2.067 1.00 2.99 N ATOM 400 CA VAL A 30 -11.955 2.360 -0.693 1.00 3.72 C ATOM 401 C VAL A 30 -10.690 2.059 0.131 1.00 2.94 C ATOM 402 O VAL A 30 -10.534 0.967 0.675 1.00 3.82 O ATOM 403 CB VAL A 30 -13.023 1.223 -0.621 1.00 6.30 C ATOM 404 CG1 VAL A 30 -13.576 1.035 0.811 1.00 7.62 C ATOM 405 CG2 VAL A 30 -14.264 1.485 -1.496 1.00 7.36 C ATOM 0 H VAL A 30 -10.870 2.213 -2.488 1.00 2.99 H new ATOM 0 HA VAL A 30 -12.441 3.217 -0.227 1.00 3.72 H new ATOM 0 HB VAL A 30 -12.482 0.345 -0.974 1.00 6.30 H new ATOM 0 HG11 VAL A 30 -14.315 0.234 0.813 1.00 7.62 H new ATOM 0 HG12 VAL A 30 -12.759 0.777 1.485 1.00 7.62 H new ATOM 0 HG13 VAL A 30 -14.043 1.961 1.145 1.00 7.62 H new ATOM 0 HG21 VAL A 30 -14.962 0.654 -1.396 1.00 7.36 H new ATOM 0 HG22 VAL A 30 -14.748 2.407 -1.174 1.00 7.36 H new ATOM 0 HG23 VAL A 30 -13.961 1.580 -2.539 1.00 7.36 H new ATOM 415 N GLN A 31 -9.765 3.023 0.235 1.00 2.09 N ATOM 416 CA GLN A 31 -8.610 2.906 1.129 1.00 1.89 C ATOM 417 C GLN A 31 -8.380 4.152 1.985 1.00 1.99 C ATOM 418 O GLN A 31 -8.416 5.276 1.491 1.00 3.21 O ATOM 419 CB GLN A 31 -7.359 2.567 0.309 1.00 2.07 C ATOM 420 CG GLN A 31 -6.909 3.665 -0.673 1.00 2.21 C ATOM 421 CD GLN A 31 -6.654 3.085 -2.051 1.00 2.39 C ATOM 422 OE1 GLN A 31 -7.492 3.143 -2.928 1.00 3.92 O ATOM 423 NE2 GLN A 31 -5.530 2.452 -2.299 1.00 1.90 N ATOM 0 H GLN A 31 -9.797 3.895 -0.293 1.00 2.09 H new ATOM 0 HA GLN A 31 -8.823 2.099 1.830 1.00 1.89 H new ATOM 0 HB2 GLN A 31 -6.539 2.356 0.995 1.00 2.07 H new ATOM 0 HB3 GLN A 31 -7.548 1.652 -0.253 1.00 2.07 H new ATOM 0 HG2 GLN A 31 -7.674 4.439 -0.735 1.00 2.21 H new ATOM 0 HG3 GLN A 31 -6.002 4.142 -0.301 1.00 2.21 H new ATOM 0 HE21 GLN A 31 -4.810 2.389 -1.579 1.00 1.90 H new ATOM 0 HE22 GLN A 31 -5.377 2.023 -3.212 1.00 1.90 H new ATOM 432 N GLY A 32 -8.048 3.935 3.264 1.00 1.85 N ATOM 433 CA GLY A 32 -7.520 4.952 4.184 1.00 1.81 C ATOM 434 C GLY A 32 -6.014 4.831 4.434 1.00 1.66 C ATOM 435 O GLY A 32 -5.549 5.321 5.459 1.00 2.22 O ATOM 0 H GLY A 32 -8.142 3.018 3.701 1.00 1.85 H new ATOM 0 HA2 GLY A 32 -7.734 5.941 3.780 1.00 1.81 H new ATOM 0 HA3 GLY A 32 -8.045 4.876 5.136 1.00 1.81 H new ATOM 439 N ALA A 33 -5.273 4.168 3.536 1.00 1.25 N ATOM 440 CA ALA A 33 -3.852 3.822 3.689 1.00 1.29 C ATOM 441 C ALA A 33 -3.597 3.068 5.015 1.00 1.08 C ATOM 442 O ALA A 33 -2.972 3.588 5.942 1.00 1.32 O ATOM 443 CB ALA A 33 -3.003 5.090 3.487 1.00 1.71 C ATOM 0 H ALA A 33 -5.661 3.845 2.649 1.00 1.25 H new ATOM 0 HA ALA A 33 -3.543 3.115 2.919 1.00 1.29 H new ATOM 0 HB1 ALA A 33 -1.947 4.843 3.599 1.00 1.71 H new ATOM 0 HB2 ALA A 33 -3.178 5.490 2.488 1.00 1.71 H new ATOM 0 HB3 ALA A 33 -3.281 5.837 4.231 1.00 1.71 H new ATOM 449 N THR A 34 -4.147 1.851 5.104 1.00 1.01 N ATOM 450 CA THR A 34 -4.250 1.061 6.336 1.00 0.89 C ATOM 451 C THR A 34 -2.963 0.275 6.587 1.00 0.83 C ATOM 452 O THR A 34 -2.323 -0.175 5.645 1.00 1.22 O ATOM 453 CB THR A 34 -5.441 0.099 6.267 1.00 1.01 C ATOM 454 OG1 THR A 34 -6.531 0.661 5.566 1.00 1.50 O ATOM 455 CG2 THR A 34 -5.952 -0.295 7.652 1.00 1.24 C ATOM 0 H THR A 34 -4.545 1.374 4.295 1.00 1.01 H new ATOM 0 HA THR A 34 -4.405 1.754 7.163 1.00 0.89 H new ATOM 0 HB THR A 34 -5.064 -0.781 5.745 1.00 1.01 H new ATOM 0 HG1 THR A 34 -7.270 0.018 5.541 1.00 1.50 H new ATOM 0 HG21 THR A 34 -6.796 -0.977 7.548 1.00 1.24 H new ATOM 0 HG22 THR A 34 -5.154 -0.787 8.208 1.00 1.24 H new ATOM 0 HG23 THR A 34 -6.271 0.598 8.190 1.00 1.24 H new ATOM 463 N VAL A 35 -2.609 0.046 7.851 1.00 0.74 N ATOM 464 CA VAL A 35 -1.452 -0.791 8.262 1.00 0.70 C ATOM 465 C VAL A 35 -1.858 -1.842 9.304 1.00 0.70 C ATOM 466 O VAL A 35 -2.898 -1.706 9.945 1.00 0.82 O ATOM 467 CB VAL A 35 -0.290 0.065 8.815 1.00 0.66 C ATOM 468 CG1 VAL A 35 1.060 -0.676 8.833 1.00 0.89 C ATOM 469 CG2 VAL A 35 -0.083 1.333 7.958 1.00 0.85 C ATOM 0 H VAL A 35 -3.119 0.438 8.642 1.00 0.74 H new ATOM 0 HA VAL A 35 -1.107 -1.302 7.363 1.00 0.70 H new ATOM 0 HB VAL A 35 -0.583 0.308 9.836 1.00 0.66 H new ATOM 0 HG11 VAL A 35 1.831 -0.017 9.233 1.00 0.89 H new ATOM 0 HG12 VAL A 35 0.980 -1.563 9.461 1.00 0.89 H new ATOM 0 HG13 VAL A 35 1.326 -0.972 7.818 1.00 0.89 H new ATOM 0 HG21 VAL A 35 0.740 1.919 8.368 1.00 0.85 H new ATOM 0 HG22 VAL A 35 0.151 1.045 6.933 1.00 0.85 H new ATOM 0 HG23 VAL A 35 -0.994 1.931 7.968 1.00 0.85 H new ATOM 479 N ALA A 36 -1.048 -2.888 9.499 1.00 0.69 N ATOM 480 CA ALA A 36 -1.206 -3.841 10.596 1.00 0.84 C ATOM 481 C ALA A 36 -0.274 -3.495 11.774 1.00 0.90 C ATOM 482 O ALA A 36 0.946 -3.637 11.692 1.00 1.50 O ATOM 483 CB ALA A 36 -0.957 -5.258 10.053 1.00 1.08 C ATOM 0 H ALA A 36 -0.256 -3.097 8.891 1.00 0.69 H new ATOM 0 HA ALA A 36 -2.221 -3.789 10.990 1.00 0.84 H new ATOM 0 HB1 ALA A 36 -1.071 -5.982 10.860 1.00 1.08 H new ATOM 0 HB2 ALA A 36 -1.677 -5.477 9.264 1.00 1.08 H new ATOM 0 HB3 ALA A 36 0.054 -5.321 9.650 1.00 1.08 H new ATOM 489 N ALA A 37 -0.845 -3.077 12.907 1.00 0.80 N ATOM 490 CA ALA A 37 -0.165 -3.212 14.200 1.00 0.99 C ATOM 491 C ALA A 37 0.226 -4.674 14.487 1.00 1.03 C ATOM 492 O ALA A 37 -0.400 -5.627 14.027 1.00 1.07 O ATOM 493 CB ALA A 37 -0.992 -2.634 15.357 1.00 1.33 C ATOM 0 H ALA A 37 -1.768 -2.646 12.957 1.00 0.80 H new ATOM 0 HA ALA A 37 0.750 -2.624 14.128 1.00 0.99 H new ATOM 0 HB1 ALA A 37 -0.446 -2.758 16.292 1.00 1.33 H new ATOM 0 HB2 ALA A 37 -1.173 -1.574 15.181 1.00 1.33 H new ATOM 0 HB3 ALA A 37 -1.945 -3.159 15.421 1.00 1.33 H new ATOM 499 N VAL A 38 1.255 -4.790 15.321 1.00 1.34 N ATOM 500 CA VAL A 38 2.164 -5.933 15.522 1.00 1.52 C ATOM 501 C VAL A 38 2.756 -5.817 16.950 1.00 1.86 C ATOM 502 O VAL A 38 2.810 -4.688 17.456 1.00 1.96 O ATOM 503 CB VAL A 38 3.260 -5.889 14.412 1.00 1.37 C ATOM 504 CG1 VAL A 38 4.197 -4.672 14.539 1.00 1.89 C ATOM 505 CG2 VAL A 38 4.109 -7.161 14.293 1.00 2.72 C ATOM 0 H VAL A 38 1.504 -4.016 15.936 1.00 1.34 H new ATOM 0 HA VAL A 38 1.653 -6.893 15.442 1.00 1.52 H new ATOM 0 HB VAL A 38 2.674 -5.802 13.497 1.00 1.37 H new ATOM 0 HG11 VAL A 38 4.937 -4.698 13.739 1.00 1.89 H new ATOM 0 HG12 VAL A 38 3.614 -3.754 14.464 1.00 1.89 H new ATOM 0 HG13 VAL A 38 4.704 -4.702 15.503 1.00 1.89 H new ATOM 0 HG21 VAL A 38 4.842 -7.036 13.496 1.00 2.72 H new ATOM 0 HG22 VAL A 38 4.625 -7.343 15.236 1.00 2.72 H new ATOM 0 HG23 VAL A 38 3.464 -8.009 14.063 1.00 2.72 H new ATOM 515 N PRO A 39 3.143 -6.912 17.640 1.00 2.12 N ATOM 516 CA PRO A 39 3.761 -6.846 18.967 1.00 2.45 C ATOM 517 C PRO A 39 5.117 -6.105 18.968 1.00 2.23 C ATOM 518 O PRO A 39 5.731 -5.934 17.911 1.00 1.86 O ATOM 519 CB PRO A 39 3.889 -8.298 19.453 1.00 2.79 C ATOM 520 CG PRO A 39 3.838 -9.114 18.168 1.00 2.63 C ATOM 521 CD PRO A 39 2.904 -8.303 17.279 1.00 2.21 C ATOM 0 HA PRO A 39 3.141 -6.259 19.644 1.00 2.45 H new ATOM 0 HB2 PRO A 39 4.822 -8.459 19.993 1.00 2.79 H new ATOM 0 HB3 PRO A 39 3.078 -8.567 20.130 1.00 2.79 H new ATOM 0 HG2 PRO A 39 4.826 -9.223 17.721 1.00 2.63 H new ATOM 0 HG3 PRO A 39 3.455 -10.119 18.344 1.00 2.63 H new ATOM 0 HD2 PRO A 39 3.115 -8.478 16.224 1.00 2.21 H new ATOM 0 HD3 PRO A 39 1.863 -8.580 17.446 1.00 2.21 H new ATOM 529 N PRO A 40 5.590 -5.657 20.150 1.00 2.54 N ATOM 530 CA PRO A 40 6.821 -4.885 20.283 1.00 2.42 C ATOM 531 C PRO A 40 8.063 -5.740 20.022 1.00 2.34 C ATOM 532 O PRO A 40 8.070 -6.948 20.242 1.00 3.33 O ATOM 533 CB PRO A 40 6.807 -4.320 21.709 1.00 2.84 C ATOM 534 CG PRO A 40 6.002 -5.360 22.483 1.00 3.29 C ATOM 535 CD PRO A 40 4.962 -5.813 21.458 1.00 3.13 C ATOM 0 HA PRO A 40 6.867 -4.087 19.542 1.00 2.42 H new ATOM 0 HB2 PRO A 40 7.815 -4.210 22.109 1.00 2.84 H new ATOM 0 HB3 PRO A 40 6.339 -3.336 21.749 1.00 2.84 H new ATOM 0 HG2 PRO A 40 6.627 -6.188 22.818 1.00 3.29 H new ATOM 0 HG3 PRO A 40 5.536 -4.932 23.371 1.00 3.29 H new ATOM 0 HD2 PRO A 40 4.671 -6.849 21.630 1.00 3.13 H new ATOM 0 HD3 PRO A 40 4.056 -5.211 21.530 1.00 3.13 H new ATOM 543 N SER A 41 9.121 -5.085 19.540 1.00 2.07 N ATOM 544 CA SER A 41 10.418 -5.672 19.163 1.00 2.30 C ATOM 545 C SER A 41 10.394 -6.480 17.848 1.00 2.14 C ATOM 546 O SER A 41 11.451 -6.926 17.404 1.00 2.34 O ATOM 547 CB SER A 41 11.046 -6.491 20.307 1.00 2.85 C ATOM 548 OG SER A 41 12.400 -6.771 19.986 1.00 3.45 O ATOM 0 H SER A 41 9.100 -4.076 19.392 1.00 2.07 H new ATOM 0 HA SER A 41 11.059 -4.811 18.971 1.00 2.30 H new ATOM 0 HB2 SER A 41 10.988 -5.936 21.243 1.00 2.85 H new ATOM 0 HB3 SER A 41 10.494 -7.419 20.452 1.00 2.85 H new ATOM 0 HG SER A 41 12.470 -7.003 19.036 1.00 3.45 H new ATOM 554 N ILE A 42 9.237 -6.637 17.198 1.00 1.95 N ATOM 555 CA ILE A 42 9.124 -7.048 15.781 1.00 1.87 C ATOM 556 C ILE A 42 9.252 -5.795 14.895 1.00 1.76 C ATOM 557 O ILE A 42 8.815 -4.716 15.283 1.00 1.85 O ATOM 558 CB ILE A 42 7.774 -7.773 15.545 1.00 1.89 C ATOM 559 CG1 ILE A 42 7.534 -8.954 16.518 1.00 2.24 C ATOM 560 CG2 ILE A 42 7.662 -8.274 14.091 1.00 1.91 C ATOM 561 CD1 ILE A 42 8.631 -10.027 16.547 1.00 2.78 C ATOM 0 H ILE A 42 8.332 -6.481 17.643 1.00 1.95 H new ATOM 0 HA ILE A 42 9.920 -7.746 15.523 1.00 1.87 H new ATOM 0 HB ILE A 42 7.002 -7.029 15.740 1.00 1.89 H new ATOM 0 HG12 ILE A 42 7.417 -8.553 17.525 1.00 2.24 H new ATOM 0 HG13 ILE A 42 6.591 -9.432 16.254 1.00 2.24 H new ATOM 0 HG21 ILE A 42 6.706 -8.779 13.953 1.00 1.91 H new ATOM 0 HG22 ILE A 42 7.727 -7.427 13.408 1.00 1.91 H new ATOM 0 HG23 ILE A 42 8.474 -8.971 13.883 1.00 1.91 H new ATOM 0 HD11 ILE A 42 8.360 -10.805 17.261 1.00 2.78 H new ATOM 0 HD12 ILE A 42 8.737 -10.466 15.555 1.00 2.78 H new ATOM 0 HD13 ILE A 42 9.576 -9.573 16.846 1.00 2.78 H new ATOM 573 N ARG A 43 9.873 -5.925 13.721 1.00 1.80 N ATOM 574 CA ARG A 43 10.351 -4.821 12.852 1.00 1.76 C ATOM 575 C ARG A 43 9.896 -4.996 11.390 1.00 1.63 C ATOM 576 O ARG A 43 10.395 -4.337 10.483 1.00 1.68 O ATOM 577 CB ARG A 43 11.887 -4.821 12.943 1.00 2.18 C ATOM 578 CG ARG A 43 12.345 -4.344 14.330 1.00 1.99 C ATOM 579 CD ARG A 43 13.865 -4.327 14.480 1.00 2.45 C ATOM 580 NE ARG A 43 14.231 -3.902 15.846 1.00 3.32 N ATOM 581 CZ ARG A 43 14.367 -2.649 16.258 1.00 4.29 C ATOM 582 NH1 ARG A 43 14.276 -1.612 15.450 1.00 4.61 N ATOM 583 NH2 ARG A 43 14.633 -2.411 17.520 1.00 5.76 N ATOM 0 H ARG A 43 10.071 -6.842 13.321 1.00 1.80 H new ATOM 0 HA ARG A 43 9.930 -3.873 13.188 1.00 1.76 H new ATOM 0 HB2 ARG A 43 12.268 -5.824 12.753 1.00 2.18 H new ATOM 0 HB3 ARG A 43 12.303 -4.171 12.173 1.00 2.18 H new ATOM 0 HG2 ARG A 43 11.956 -3.342 14.511 1.00 1.99 H new ATOM 0 HG3 ARG A 43 11.917 -4.995 15.092 1.00 1.99 H new ATOM 0 HD2 ARG A 43 14.270 -5.318 14.278 1.00 2.45 H new ATOM 0 HD3 ARG A 43 14.304 -3.648 13.749 1.00 2.45 H new ATOM 0 HE ARG A 43 14.394 -4.638 16.534 1.00 3.32 H new ATOM 0 HH11 ARG A 43 14.093 -1.754 14.457 1.00 4.61 H new ATOM 0 HH12 ARG A 43 14.389 -0.667 15.818 1.00 4.61 H new ATOM 0 HH21 ARG A 43 14.733 -3.186 18.175 1.00 5.76 H new ATOM 0 HH22 ARG A 43 14.739 -1.451 17.846 1.00 5.76 H new ATOM 597 N ASP A 44 8.957 -5.914 11.172 1.00 1.57 N ATOM 598 CA ASP A 44 8.439 -6.319 9.879 1.00 1.57 C ATOM 599 C ASP A 44 6.915 -6.460 10.035 1.00 1.50 C ATOM 600 O ASP A 44 6.472 -7.236 10.886 1.00 1.72 O ATOM 601 CB ASP A 44 9.040 -7.692 9.482 1.00 1.70 C ATOM 602 CG ASP A 44 10.566 -7.796 9.282 1.00 1.89 C ATOM 603 OD1 ASP A 44 11.346 -7.523 10.231 1.00 1.99 O ATOM 604 OD2 ASP A 44 10.961 -8.252 8.185 1.00 3.05 O ATOM 0 H ASP A 44 8.516 -6.420 11.940 1.00 1.57 H new ATOM 0 HA ASP A 44 8.696 -5.590 9.110 1.00 1.57 H new ATOM 0 HB2 ASP A 44 8.756 -8.413 10.249 1.00 1.70 H new ATOM 0 HB3 ASP A 44 8.562 -8.008 8.555 1.00 1.70 H new ATOM 609 N THR A 45 6.105 -5.740 9.246 1.00 1.31 N ATOM 610 CA THR A 45 4.629 -5.816 9.312 1.00 1.35 C ATOM 611 C THR A 45 3.976 -5.450 7.988 1.00 1.13 C ATOM 612 O THR A 45 4.598 -4.817 7.139 1.00 1.04 O ATOM 613 CB THR A 45 4.044 -5.024 10.492 1.00 1.69 C ATOM 614 OG1 THR A 45 2.686 -5.387 10.613 1.00 3.11 O ATOM 615 CG2 THR A 45 4.154 -3.507 10.328 1.00 1.52 C ATOM 0 H THR A 45 6.449 -5.087 8.542 1.00 1.31 H new ATOM 0 HA THR A 45 4.386 -6.861 9.503 1.00 1.35 H new ATOM 0 HB THR A 45 4.620 -5.271 11.384 1.00 1.69 H new ATOM 0 HG1 THR A 45 2.159 -4.602 10.871 1.00 3.11 H new ATOM 0 HG21 THR A 45 3.721 -3.015 11.199 1.00 1.52 H new ATOM 0 HG22 THR A 45 5.203 -3.226 10.237 1.00 1.52 H new ATOM 0 HG23 THR A 45 3.616 -3.198 9.431 1.00 1.52 H new ATOM 623 N ALA A 46 2.733 -5.891 7.817 1.00 1.44 N ATOM 624 CA ALA A 46 1.941 -5.821 6.591 1.00 1.56 C ATOM 625 C ALA A 46 0.976 -4.621 6.574 1.00 1.29 C ATOM 626 O ALA A 46 0.840 -3.885 7.553 1.00 0.88 O ATOM 627 CB ALA A 46 1.191 -7.157 6.463 1.00 1.85 C ATOM 0 H ALA A 46 2.219 -6.335 8.578 1.00 1.44 H new ATOM 0 HA ALA A 46 2.598 -5.663 5.736 1.00 1.56 H new ATOM 0 HB1 ALA A 46 0.584 -7.148 5.557 1.00 1.85 H new ATOM 0 HB2 ALA A 46 1.910 -7.974 6.410 1.00 1.85 H new ATOM 0 HB3 ALA A 46 0.546 -7.297 7.330 1.00 1.85 H new ATOM 633 N ALA A 47 0.283 -4.440 5.452 1.00 1.78 N ATOM 634 CA ALA A 47 -0.634 -3.323 5.233 1.00 1.53 C ATOM 635 C ALA A 47 -1.909 -3.710 4.465 1.00 1.92 C ATOM 636 O ALA A 47 -2.088 -4.854 4.037 1.00 2.90 O ATOM 637 CB ALA A 47 0.149 -2.221 4.507 1.00 1.58 C ATOM 0 H ALA A 47 0.344 -5.075 4.656 1.00 1.78 H new ATOM 0 HA ALA A 47 -0.997 -2.973 6.200 1.00 1.53 H new ATOM 0 HB1 ALA A 47 -0.506 -1.368 4.326 1.00 1.58 H new ATOM 0 HB2 ALA A 47 0.992 -1.907 5.123 1.00 1.58 H new ATOM 0 HB3 ALA A 47 0.518 -2.603 3.555 1.00 1.58 H new ATOM 643 N TYR A 48 -2.786 -2.723 4.264 1.00 1.32 N ATOM 644 CA TYR A 48 -4.020 -2.849 3.493 1.00 1.55 C ATOM 645 C TYR A 48 -4.330 -1.538 2.756 1.00 1.19 C ATOM 646 O TYR A 48 -4.316 -0.445 3.324 1.00 1.23 O ATOM 647 CB TYR A 48 -5.238 -3.273 4.344 1.00 2.19 C ATOM 648 CG TYR A 48 -5.018 -4.106 5.600 1.00 2.37 C ATOM 649 CD1 TYR A 48 -4.336 -3.561 6.708 1.00 3.50 C ATOM 650 CD2 TYR A 48 -5.603 -5.384 5.713 1.00 2.87 C ATOM 651 CE1 TYR A 48 -4.211 -4.295 7.898 1.00 4.16 C ATOM 652 CE2 TYR A 48 -5.505 -6.114 6.913 1.00 3.39 C ATOM 653 CZ TYR A 48 -4.803 -5.567 8.009 1.00 3.74 C ATOM 654 OH TYR A 48 -4.719 -6.235 9.188 1.00 4.59 O ATOM 0 H TYR A 48 -2.650 -1.787 4.646 1.00 1.32 H new ATOM 0 HA TYR A 48 -3.845 -3.649 2.773 1.00 1.55 H new ATOM 0 HB2 TYR A 48 -5.762 -2.364 4.641 1.00 2.19 H new ATOM 0 HB3 TYR A 48 -5.912 -3.832 3.695 1.00 2.19 H new ATOM 0 HD1 TYR A 48 -3.907 -2.572 6.640 1.00 3.50 H new ATOM 0 HD2 TYR A 48 -6.131 -5.807 4.871 1.00 2.87 H new ATOM 0 HE1 TYR A 48 -3.659 -3.883 8.730 1.00 4.16 H new ATOM 0 HE2 TYR A 48 -5.965 -7.088 6.995 1.00 3.39 H new ATOM 0 HH TYR A 48 -5.375 -6.963 9.199 1.00 4.59 H new ATOM 664 N MET A 49 -4.648 -1.658 1.474 1.00 1.13 N ATOM 665 CA MET A 49 -4.950 -0.553 0.573 1.00 1.30 C ATOM 666 C MET A 49 -5.796 -1.169 -0.524 1.00 1.20 C ATOM 667 O MET A 49 -5.267 -2.007 -1.238 1.00 1.31 O ATOM 668 CB MET A 49 -3.669 0.046 -0.052 1.00 1.51 C ATOM 669 CG MET A 49 -2.701 0.737 0.912 1.00 2.44 C ATOM 670 SD MET A 49 -1.407 -0.338 1.586 1.00 4.03 S ATOM 671 CE MET A 49 -0.623 0.871 2.678 1.00 5.07 C ATOM 0 H MET A 49 -4.705 -2.566 1.014 1.00 1.13 H new ATOM 0 HA MET A 49 -5.448 0.258 1.105 1.00 1.30 H new ATOM 0 HB2 MET A 49 -3.131 -0.754 -0.562 1.00 1.51 H new ATOM 0 HB3 MET A 49 -3.965 0.767 -0.814 1.00 1.51 H new ATOM 0 HG2 MET A 49 -2.228 1.571 0.394 1.00 2.44 H new ATOM 0 HG3 MET A 49 -3.272 1.158 1.739 1.00 2.44 H new ATOM 0 HE1 MET A 49 0.266 0.431 3.130 1.00 5.07 H new ATOM 0 HE2 MET A 49 -0.339 1.751 2.102 1.00 5.07 H new ATOM 0 HE3 MET A 49 -1.323 1.161 3.462 1.00 5.07 H new ATOM 681 N THR A 50 -7.065 -0.787 -0.651 1.00 1.22 N ATOM 682 CA THR A 50 -8.015 -1.412 -1.577 1.00 1.21 C ATOM 683 C THR A 50 -8.622 -0.336 -2.469 1.00 1.26 C ATOM 684 O THR A 50 -9.372 0.516 -1.981 1.00 1.69 O ATOM 685 CB THR A 50 -9.129 -2.116 -0.778 1.00 1.57 C ATOM 686 OG1 THR A 50 -8.576 -2.830 0.304 1.00 2.47 O ATOM 687 CG2 THR A 50 -9.887 -3.105 -1.656 1.00 1.61 C ATOM 0 H THR A 50 -7.471 -0.025 -0.108 1.00 1.22 H new ATOM 0 HA THR A 50 -7.499 -2.149 -2.193 1.00 1.21 H new ATOM 0 HB THR A 50 -9.811 -1.345 -0.418 1.00 1.57 H new ATOM 0 HG1 THR A 50 -8.646 -3.792 0.131 1.00 2.47 H new ATOM 0 HG21 THR A 50 -10.668 -3.589 -1.069 1.00 1.61 H new ATOM 0 HG22 THR A 50 -10.339 -2.575 -2.494 1.00 1.61 H new ATOM 0 HG23 THR A 50 -9.197 -3.860 -2.034 1.00 1.61 H new ATOM 695 N LEU A 51 -8.346 -0.337 -3.775 1.00 1.27 N ATOM 696 CA LEU A 51 -8.952 0.643 -4.687 1.00 1.40 C ATOM 697 C LEU A 51 -10.142 -0.007 -5.403 1.00 1.35 C ATOM 698 O LEU A 51 -10.147 -0.259 -6.607 1.00 1.75 O ATOM 699 CB LEU A 51 -7.871 1.299 -5.574 1.00 1.81 C ATOM 700 CG LEU A 51 -8.251 2.713 -6.063 1.00 2.52 C ATOM 701 CD1 LEU A 51 -7.003 3.588 -6.262 1.00 3.52 C ATOM 702 CD2 LEU A 51 -9.058 2.677 -7.362 1.00 3.60 C ATOM 0 H LEU A 51 -7.713 -0.998 -4.225 1.00 1.27 H new ATOM 0 HA LEU A 51 -9.380 1.491 -4.152 1.00 1.40 H new ATOM 0 HB2 LEU A 51 -6.938 1.355 -5.014 1.00 1.81 H new ATOM 0 HB3 LEU A 51 -7.686 0.662 -6.439 1.00 1.81 H new ATOM 0 HG LEU A 51 -8.876 3.149 -5.284 1.00 2.52 H new ATOM 0 HD11 LEU A 51 -7.304 4.577 -6.607 1.00 3.52 H new ATOM 0 HD12 LEU A 51 -6.469 3.680 -5.316 1.00 3.52 H new ATOM 0 HD13 LEU A 51 -6.351 3.128 -7.004 1.00 3.52 H new ATOM 0 HD21 LEU A 51 -9.302 3.695 -7.667 1.00 3.60 H new ATOM 0 HD22 LEU A 51 -8.469 2.196 -8.143 1.00 3.60 H new ATOM 0 HD23 LEU A 51 -9.978 2.115 -7.203 1.00 3.60 H new ATOM 714 N THR A 52 -11.186 -0.264 -4.609 1.00 1.91 N ATOM 715 CA THR A 52 -12.505 -0.683 -5.090 1.00 2.09 C ATOM 716 C THR A 52 -13.171 0.489 -5.805 1.00 2.05 C ATOM 717 O THR A 52 -13.801 1.338 -5.177 1.00 2.48 O ATOM 718 CB THR A 52 -13.327 -1.223 -3.914 1.00 2.59 C ATOM 719 OG1 THR A 52 -12.668 -2.365 -3.429 1.00 3.66 O ATOM 720 CG2 THR A 52 -14.744 -1.648 -4.292 1.00 3.63 C ATOM 0 H THR A 52 -11.136 -0.185 -3.593 1.00 1.91 H new ATOM 0 HA THR A 52 -12.421 -1.494 -5.814 1.00 2.09 H new ATOM 0 HB THR A 52 -13.411 -0.418 -3.184 1.00 2.59 H new ATOM 0 HG1 THR A 52 -13.169 -2.735 -2.672 1.00 3.66 H new ATOM 0 HG21 THR A 52 -15.261 -2.018 -3.407 1.00 3.63 H new ATOM 0 HG22 THR A 52 -15.285 -0.792 -4.697 1.00 3.63 H new ATOM 0 HG23 THR A 52 -14.699 -2.437 -5.043 1.00 3.63 H new ATOM 728 N ASN A 53 -13.022 0.536 -7.128 1.00 1.84 N ATOM 729 CA ASN A 53 -13.849 1.366 -7.996 1.00 1.89 C ATOM 730 C ASN A 53 -15.321 0.934 -7.960 1.00 2.21 C ATOM 731 O ASN A 53 -15.676 -0.242 -7.855 1.00 2.59 O ATOM 732 CB ASN A 53 -13.362 1.355 -9.460 1.00 1.80 C ATOM 733 CG ASN A 53 -12.381 2.462 -9.802 1.00 1.83 C ATOM 734 OD1 ASN A 53 -11.707 3.040 -8.969 1.00 3.11 O ATOM 735 ND2 ASN A 53 -12.338 2.831 -11.065 1.00 1.94 N ATOM 0 H ASN A 53 -12.318 -0.006 -7.629 1.00 1.84 H new ATOM 0 HA ASN A 53 -13.759 2.380 -7.606 1.00 1.89 H new ATOM 0 HB2 ASN A 53 -12.893 0.393 -9.667 1.00 1.80 H new ATOM 0 HB3 ASN A 53 -14.227 1.436 -10.119 1.00 1.80 H new ATOM 0 HD21 ASN A 53 -11.738 3.605 -11.350 1.00 1.94 H new ATOM 0 HD22 ASN A 53 -12.905 2.343 -11.758 1.00 1.94 H new ATOM 742 N LYS A 54 -16.170 1.931 -8.183 1.00 2.15 N ATOM 743 CA LYS A 54 -17.624 1.832 -8.316 1.00 2.38 C ATOM 744 C LYS A 54 -18.080 2.967 -9.253 1.00 2.26 C ATOM 745 O LYS A 54 -18.770 3.901 -8.859 1.00 2.73 O ATOM 746 CB LYS A 54 -18.276 1.812 -6.919 1.00 2.95 C ATOM 747 CG LYS A 54 -19.802 1.640 -6.971 1.00 3.13 C ATOM 748 CD LYS A 54 -20.389 1.487 -5.566 1.00 3.83 C ATOM 749 CE LYS A 54 -21.895 1.767 -5.618 1.00 4.43 C ATOM 750 NZ LYS A 54 -22.552 1.533 -4.309 1.00 4.90 N ATOM 0 H LYS A 54 -15.843 2.892 -8.282 1.00 2.15 H new ATOM 0 HA LYS A 54 -17.948 0.898 -8.775 1.00 2.38 H new ATOM 0 HB2 LYS A 54 -17.844 1.000 -6.334 1.00 2.95 H new ATOM 0 HB3 LYS A 54 -18.038 2.740 -6.400 1.00 2.95 H new ATOM 0 HG2 LYS A 54 -20.251 2.502 -7.464 1.00 3.13 H new ATOM 0 HG3 LYS A 54 -20.052 0.764 -7.570 1.00 3.13 H new ATOM 0 HD2 LYS A 54 -20.207 0.480 -5.190 1.00 3.83 H new ATOM 0 HD3 LYS A 54 -19.902 2.178 -4.878 1.00 3.83 H new ATOM 0 HE2 LYS A 54 -22.061 2.799 -5.927 1.00 4.43 H new ATOM 0 HE3 LYS A 54 -22.356 1.130 -6.373 1.00 4.43 H new ATOM 0 HZ1 LYS A 54 -23.569 1.734 -4.390 1.00 4.90 H new ATOM 0 HZ2 LYS A 54 -22.417 0.542 -4.025 1.00 4.90 H new ATOM 0 HZ3 LYS A 54 -22.131 2.159 -3.593 1.00 4.90 H new ATOM 764 N SER A 55 -17.592 2.908 -10.496 1.00 1.93 N ATOM 765 CA SER A 55 -17.774 3.810 -11.661 1.00 1.89 C ATOM 766 C SER A 55 -16.589 3.662 -12.643 1.00 1.79 C ATOM 767 O SER A 55 -15.497 3.239 -12.249 1.00 2.35 O ATOM 768 CB SER A 55 -17.938 5.302 -11.298 1.00 2.15 C ATOM 769 OG SER A 55 -19.243 5.576 -10.829 1.00 2.54 O ATOM 0 H SER A 55 -16.981 2.132 -10.751 1.00 1.93 H new ATOM 0 HA SER A 55 -18.711 3.495 -12.121 1.00 1.89 H new ATOM 0 HB2 SER A 55 -17.210 5.575 -10.534 1.00 2.15 H new ATOM 0 HB3 SER A 55 -17.727 5.917 -12.173 1.00 2.15 H new ATOM 0 HG SER A 55 -19.409 5.069 -10.007 1.00 2.54 H new ATOM 775 N ASP A 56 -16.817 4.026 -13.910 1.00 1.70 N ATOM 776 CA ASP A 56 -15.891 3.994 -15.054 1.00 1.68 C ATOM 777 C ASP A 56 -14.844 5.121 -14.914 1.00 1.72 C ATOM 778 O ASP A 56 -14.773 6.044 -15.722 1.00 2.06 O ATOM 779 CB ASP A 56 -16.779 4.120 -16.314 1.00 2.01 C ATOM 780 CG ASP A 56 -16.063 4.157 -17.669 1.00 2.61 C ATOM 781 OD1 ASP A 56 -15.649 3.075 -18.124 1.00 3.70 O ATOM 782 OD2 ASP A 56 -16.079 5.207 -18.354 1.00 3.44 O ATOM 0 H ASP A 56 -17.732 4.381 -14.188 1.00 1.70 H new ATOM 0 HA ASP A 56 -15.310 3.073 -15.113 1.00 1.68 H new ATOM 0 HB2 ASP A 56 -17.476 3.282 -16.322 1.00 2.01 H new ATOM 0 HB3 ASP A 56 -17.373 5.029 -16.220 1.00 2.01 H new ATOM 787 N GLN A 57 -14.065 5.103 -13.827 1.00 1.62 N ATOM 788 CA GLN A 57 -13.075 6.145 -13.540 1.00 1.75 C ATOM 789 C GLN A 57 -11.682 5.517 -13.439 1.00 1.64 C ATOM 790 O GLN A 57 -11.324 5.064 -12.350 1.00 1.75 O ATOM 791 CB GLN A 57 -13.442 6.898 -12.243 1.00 2.10 C ATOM 792 CG GLN A 57 -14.868 7.470 -12.242 1.00 2.13 C ATOM 793 CD GLN A 57 -14.988 8.692 -11.334 1.00 2.81 C ATOM 794 OE1 GLN A 57 -14.628 9.805 -11.688 1.00 3.29 O ATOM 795 NE2 GLN A 57 -15.470 8.520 -10.121 1.00 3.55 N ATOM 0 H GLN A 57 -14.103 4.366 -13.123 1.00 1.62 H new ATOM 0 HA GLN A 57 -13.071 6.870 -14.353 1.00 1.75 H new ATOM 0 HB2 GLN A 57 -13.332 6.220 -11.397 1.00 2.10 H new ATOM 0 HB3 GLN A 57 -12.733 7.713 -12.094 1.00 2.10 H new ATOM 0 HG2 GLN A 57 -15.151 7.743 -13.259 1.00 2.13 H new ATOM 0 HG3 GLN A 57 -15.568 6.702 -11.912 1.00 2.13 H new ATOM 0 HE21 GLN A 57 -15.772 7.594 -9.819 1.00 3.55 H new ATOM 0 HE22 GLN A 57 -15.541 9.313 -9.483 1.00 3.55 H new ATOM 804 N PRO A 58 -10.900 5.424 -14.536 1.00 1.67 N ATOM 805 CA PRO A 58 -9.559 4.875 -14.468 1.00 1.74 C ATOM 806 C PRO A 58 -8.593 5.927 -13.917 1.00 1.75 C ATOM 807 O PRO A 58 -8.538 7.069 -14.371 1.00 2.15 O ATOM 808 CB PRO A 58 -9.200 4.443 -15.886 1.00 1.96 C ATOM 809 CG PRO A 58 -10.003 5.415 -16.753 1.00 2.05 C ATOM 810 CD PRO A 58 -11.256 5.714 -15.919 1.00 1.85 C ATOM 0 HA PRO A 58 -9.496 4.020 -13.794 1.00 1.74 H new ATOM 0 HB2 PRO A 58 -8.129 4.524 -16.074 1.00 1.96 H new ATOM 0 HB3 PRO A 58 -9.480 3.407 -16.076 1.00 1.96 H new ATOM 0 HG2 PRO A 58 -9.437 6.323 -16.962 1.00 2.05 H new ATOM 0 HG3 PRO A 58 -10.261 4.971 -17.715 1.00 2.05 H new ATOM 0 HD2 PRO A 58 -11.561 6.754 -16.033 1.00 1.85 H new ATOM 0 HD3 PRO A 58 -12.095 5.099 -16.243 1.00 1.85 H new ATOM 818 N ILE A 59 -7.807 5.511 -12.930 1.00 1.55 N ATOM 819 CA ILE A 59 -6.745 6.305 -12.306 1.00 1.61 C ATOM 820 C ILE A 59 -5.373 5.788 -12.763 1.00 1.75 C ATOM 821 O ILE A 59 -5.203 4.597 -13.027 1.00 2.29 O ATOM 822 CB ILE A 59 -6.928 6.281 -10.762 1.00 1.95 C ATOM 823 CG1 ILE A 59 -8.282 6.926 -10.359 1.00 2.41 C ATOM 824 CG2 ILE A 59 -5.787 6.998 -10.016 1.00 2.23 C ATOM 825 CD1 ILE A 59 -9.308 5.885 -9.900 1.00 3.86 C ATOM 0 H ILE A 59 -7.892 4.579 -12.525 1.00 1.55 H new ATOM 0 HA ILE A 59 -6.804 7.347 -12.620 1.00 1.61 H new ATOM 0 HB ILE A 59 -6.912 5.231 -10.470 1.00 1.95 H new ATOM 0 HG12 ILE A 59 -8.115 7.646 -9.558 1.00 2.41 H new ATOM 0 HG13 ILE A 59 -8.684 7.480 -11.207 1.00 2.41 H new ATOM 0 HG21 ILE A 59 -5.968 6.950 -8.942 1.00 2.23 H new ATOM 0 HG22 ILE A 59 -4.839 6.512 -10.247 1.00 2.23 H new ATOM 0 HG23 ILE A 59 -5.746 8.041 -10.330 1.00 2.23 H new ATOM 0 HD11 ILE A 59 -10.238 6.385 -9.629 1.00 3.86 H new ATOM 0 HD12 ILE A 59 -9.498 5.180 -10.709 1.00 3.86 H new ATOM 0 HD13 ILE A 59 -8.919 5.348 -9.035 1.00 3.86 H new ATOM 837 N LYS A 60 -4.394 6.695 -12.826 1.00 1.59 N ATOM 838 CA LYS A 60 -2.952 6.413 -12.881 1.00 1.81 C ATOM 839 C LYS A 60 -2.204 7.233 -11.811 1.00 1.53 C ATOM 840 O LYS A 60 -2.561 8.381 -11.558 1.00 1.67 O ATOM 841 CB LYS A 60 -2.371 6.668 -14.287 1.00 2.54 C ATOM 842 CG LYS A 60 -2.747 8.033 -14.892 1.00 3.33 C ATOM 843 CD LYS A 60 -2.123 8.199 -16.280 1.00 4.23 C ATOM 844 CE LYS A 60 -2.578 9.520 -16.907 1.00 5.03 C ATOM 845 NZ LYS A 60 -2.068 9.646 -18.288 1.00 5.85 N ATOM 0 H LYS A 60 -4.593 7.695 -12.841 1.00 1.59 H new ATOM 0 HA LYS A 60 -2.810 5.354 -12.666 1.00 1.81 H new ATOM 0 HB2 LYS A 60 -1.285 6.593 -14.237 1.00 2.54 H new ATOM 0 HB3 LYS A 60 -2.714 5.880 -14.957 1.00 2.54 H new ATOM 0 HG2 LYS A 60 -3.831 8.119 -14.962 1.00 3.33 H new ATOM 0 HG3 LYS A 60 -2.406 8.834 -14.236 1.00 3.33 H new ATOM 0 HD2 LYS A 60 -1.036 8.179 -16.203 1.00 4.23 H new ATOM 0 HD3 LYS A 60 -2.413 7.365 -16.920 1.00 4.23 H new ATOM 0 HE2 LYS A 60 -3.667 9.571 -16.910 1.00 5.03 H new ATOM 0 HE3 LYS A 60 -2.222 10.356 -16.305 1.00 5.03 H new ATOM 0 HZ1 LYS A 60 -2.388 10.548 -18.695 1.00 5.85 H new ATOM 0 HZ2 LYS A 60 -1.028 9.620 -18.278 1.00 5.85 H new ATOM 0 HZ3 LYS A 60 -2.429 8.859 -18.864 1.00 5.85 H new ATOM 859 N LEU A 61 -1.142 6.664 -11.242 1.00 1.76 N ATOM 860 CA LEU A 61 -0.224 7.160 -10.199 1.00 1.78 C ATOM 861 C LEU A 61 0.852 6.054 -10.035 1.00 1.68 C ATOM 862 O LEU A 61 0.714 5.007 -10.663 1.00 2.07 O ATOM 863 CB LEU A 61 -1.002 7.436 -8.882 1.00 2.00 C ATOM 864 CG LEU A 61 -0.936 8.850 -8.269 1.00 2.53 C ATOM 865 CD1 LEU A 61 -1.700 9.908 -9.075 1.00 3.53 C ATOM 866 CD2 LEU A 61 -1.492 8.820 -6.836 1.00 2.77 C ATOM 0 H LEU A 61 -0.865 5.727 -11.533 1.00 1.76 H new ATOM 0 HA LEU A 61 0.243 8.108 -10.467 1.00 1.78 H new ATOM 0 HB2 LEU A 61 -2.051 7.202 -9.062 1.00 2.00 H new ATOM 0 HB3 LEU A 61 -0.642 6.732 -8.131 1.00 2.00 H new ATOM 0 HG LEU A 61 0.115 9.137 -8.280 1.00 2.53 H new ATOM 0 HD11 LEU A 61 -1.608 10.876 -8.583 1.00 3.53 H new ATOM 0 HD12 LEU A 61 -1.283 9.971 -10.080 1.00 3.53 H new ATOM 0 HD13 LEU A 61 -2.752 9.630 -9.135 1.00 3.53 H new ATOM 0 HD21 LEU A 61 -1.444 9.820 -6.406 1.00 2.77 H new ATOM 0 HD22 LEU A 61 -2.528 8.483 -6.855 1.00 2.77 H new ATOM 0 HD23 LEU A 61 -0.899 8.136 -6.230 1.00 2.77 H new ATOM 878 N VAL A 62 1.894 6.224 -9.217 1.00 1.49 N ATOM 879 CA VAL A 62 2.921 5.165 -9.026 1.00 1.48 C ATOM 880 C VAL A 62 2.482 4.142 -7.971 1.00 1.34 C ATOM 881 O VAL A 62 2.272 2.974 -8.291 1.00 1.91 O ATOM 882 CB VAL A 62 4.294 5.777 -8.658 1.00 1.79 C ATOM 883 CG1 VAL A 62 5.376 4.704 -8.444 1.00 2.38 C ATOM 884 CG2 VAL A 62 4.767 6.745 -9.750 1.00 2.45 C ATOM 0 H VAL A 62 2.059 7.072 -8.675 1.00 1.49 H new ATOM 0 HA VAL A 62 3.028 4.641 -9.976 1.00 1.48 H new ATOM 0 HB VAL A 62 4.150 6.312 -7.719 1.00 1.79 H new ATOM 0 HG11 VAL A 62 6.320 5.185 -8.188 1.00 2.38 H new ATOM 0 HG12 VAL A 62 5.075 4.041 -7.633 1.00 2.38 H new ATOM 0 HG13 VAL A 62 5.500 4.125 -9.359 1.00 2.38 H new ATOM 0 HG21 VAL A 62 5.734 7.164 -9.471 1.00 2.45 H new ATOM 0 HG22 VAL A 62 4.862 6.209 -10.695 1.00 2.45 H new ATOM 0 HG23 VAL A 62 4.041 7.551 -9.861 1.00 2.45 H new ATOM 894 N GLY A 63 2.344 4.594 -6.720 1.00 1.47 N ATOM 895 CA GLY A 63 1.997 3.798 -5.543 1.00 1.44 C ATOM 896 C GLY A 63 1.997 4.662 -4.278 1.00 1.20 C ATOM 897 O GLY A 63 2.053 5.889 -4.359 1.00 1.30 O ATOM 0 H GLY A 63 2.479 5.579 -6.492 1.00 1.47 H new ATOM 0 HA2 GLY A 63 1.014 3.348 -5.681 1.00 1.44 H new ATOM 0 HA3 GLY A 63 2.709 2.980 -5.430 1.00 1.44 H new ATOM 901 N ALA A 64 1.959 4.024 -3.109 1.00 1.23 N ATOM 902 CA ALA A 64 2.059 4.668 -1.798 1.00 1.27 C ATOM 903 C ALA A 64 3.346 4.219 -1.096 1.00 1.18 C ATOM 904 O ALA A 64 3.588 3.019 -0.978 1.00 1.33 O ATOM 905 CB ALA A 64 0.815 4.294 -0.978 1.00 1.62 C ATOM 0 H ALA A 64 1.854 3.011 -3.045 1.00 1.23 H new ATOM 0 HA ALA A 64 2.102 5.752 -1.905 1.00 1.27 H new ATOM 0 HB1 ALA A 64 0.871 4.765 0.003 1.00 1.62 H new ATOM 0 HB2 ALA A 64 -0.080 4.640 -1.496 1.00 1.62 H new ATOM 0 HB3 ALA A 64 0.770 3.211 -0.859 1.00 1.62 H new ATOM 911 N ALA A 65 4.144 5.176 -0.612 1.00 1.13 N ATOM 912 CA ALA A 65 5.417 4.936 0.063 1.00 1.08 C ATOM 913 C ALA A 65 5.563 5.812 1.327 1.00 1.15 C ATOM 914 O ALA A 65 4.608 6.461 1.777 1.00 1.14 O ATOM 915 CB ALA A 65 6.540 5.163 -0.968 1.00 1.05 C ATOM 0 H ALA A 65 3.912 6.167 -0.683 1.00 1.13 H new ATOM 0 HA ALA A 65 5.473 3.911 0.428 1.00 1.08 H new ATOM 0 HB1 ALA A 65 7.507 4.992 -0.496 1.00 1.05 H new ATOM 0 HB2 ALA A 65 6.415 4.471 -1.801 1.00 1.05 H new ATOM 0 HB3 ALA A 65 6.493 6.187 -1.338 1.00 1.05 H new ATOM 921 N THR A 66 6.779 5.813 1.904 1.00 1.29 N ATOM 922 CA THR A 66 7.115 6.489 3.165 1.00 1.44 C ATOM 923 C THR A 66 8.625 6.466 3.436 1.00 1.50 C ATOM 924 O THR A 66 9.247 5.440 3.154 1.00 1.53 O ATOM 925 CB THR A 66 6.331 5.870 4.332 1.00 1.52 C ATOM 926 OG1 THR A 66 6.764 6.456 5.530 1.00 1.79 O ATOM 927 CG2 THR A 66 6.479 4.351 4.481 1.00 1.48 C ATOM 0 H THR A 66 7.576 5.329 1.491 1.00 1.29 H new ATOM 0 HA THR A 66 6.823 7.535 3.072 1.00 1.44 H new ATOM 0 HB THR A 66 5.281 6.065 4.112 1.00 1.52 H new ATOM 0 HG1 THR A 66 6.268 6.069 6.281 1.00 1.79 H new ATOM 0 HG21 THR A 66 5.889 4.010 5.331 1.00 1.48 H new ATOM 0 HG22 THR A 66 6.126 3.860 3.574 1.00 1.48 H new ATOM 0 HG23 THR A 66 7.528 4.102 4.644 1.00 1.48 H new ATOM 935 N PRO A 67 9.211 7.536 4.014 1.00 1.58 N ATOM 936 CA PRO A 67 10.556 7.528 4.593 1.00 1.56 C ATOM 937 C PRO A 67 10.583 7.043 6.061 1.00 1.48 C ATOM 938 O PRO A 67 11.660 6.843 6.614 1.00 1.46 O ATOM 939 CB PRO A 67 11.024 8.982 4.472 1.00 1.77 C ATOM 940 CG PRO A 67 9.738 9.790 4.638 1.00 1.91 C ATOM 941 CD PRO A 67 8.643 8.877 4.086 1.00 1.73 C ATOM 0 HA PRO A 67 11.208 6.826 4.073 1.00 1.56 H new ATOM 0 HB2 PRO A 67 11.756 9.232 5.240 1.00 1.77 H new ATOM 0 HB3 PRO A 67 11.495 9.172 3.508 1.00 1.77 H new ATOM 0 HG2 PRO A 67 9.558 10.040 5.684 1.00 1.91 H new ATOM 0 HG3 PRO A 67 9.786 10.730 4.089 1.00 1.91 H new ATOM 0 HD2 PRO A 67 7.765 8.891 4.732 1.00 1.73 H new ATOM 0 HD3 PRO A 67 8.319 9.213 3.101 1.00 1.73 H new ATOM 949 N LEU A 68 9.424 6.841 6.704 1.00 1.56 N ATOM 950 CA LEU A 68 9.302 6.275 8.062 1.00 1.50 C ATOM 951 C LEU A 68 9.150 4.740 8.069 1.00 1.49 C ATOM 952 O LEU A 68 9.052 4.142 9.140 1.00 1.76 O ATOM 953 CB LEU A 68 8.178 7.008 8.828 1.00 2.19 C ATOM 954 CG LEU A 68 8.491 8.426 9.377 1.00 2.78 C ATOM 955 CD1 LEU A 68 9.627 8.438 10.409 1.00 3.71 C ATOM 956 CD2 LEU A 68 8.799 9.458 8.286 1.00 3.85 C ATOM 0 H LEU A 68 8.522 7.071 6.287 1.00 1.56 H new ATOM 0 HA LEU A 68 10.239 6.448 8.591 1.00 1.50 H new ATOM 0 HB2 LEU A 68 7.316 7.087 8.166 1.00 2.19 H new ATOM 0 HB3 LEU A 68 7.879 6.381 9.668 1.00 2.19 H new ATOM 0 HG LEU A 68 7.564 8.718 9.870 1.00 2.78 H new ATOM 0 HD11 LEU A 68 9.796 9.459 10.753 1.00 3.71 H new ATOM 0 HD12 LEU A 68 9.355 7.810 11.257 1.00 3.71 H new ATOM 0 HD13 LEU A 68 10.539 8.054 9.951 1.00 3.71 H new ATOM 0 HD21 LEU A 68 9.007 10.424 8.747 1.00 3.85 H new ATOM 0 HD22 LEU A 68 9.668 9.134 7.714 1.00 3.85 H new ATOM 0 HD23 LEU A 68 7.941 9.551 7.621 1.00 3.85 H new ATOM 968 N ALA A 69 9.254 4.077 6.913 1.00 1.56 N ATOM 969 CA ALA A 69 9.819 2.723 6.855 1.00 1.60 C ATOM 970 C ALA A 69 11.355 2.808 6.858 1.00 1.27 C ATOM 971 O ALA A 69 11.917 3.861 6.552 1.00 1.51 O ATOM 972 CB ALA A 69 9.292 1.983 5.618 1.00 1.93 C ATOM 0 H ALA A 69 8.958 4.451 6.011 1.00 1.56 H new ATOM 0 HA ALA A 69 9.509 2.155 7.732 1.00 1.60 H new ATOM 0 HB1 ALA A 69 9.718 0.980 5.585 1.00 1.93 H new ATOM 0 HB2 ALA A 69 8.205 1.915 5.670 1.00 1.93 H new ATOM 0 HB3 ALA A 69 9.578 2.528 4.719 1.00 1.93 H new ATOM 978 N THR A 70 12.046 1.722 7.214 1.00 1.37 N ATOM 979 CA THR A 70 13.512 1.644 7.069 1.00 1.31 C ATOM 980 C THR A 70 13.847 1.054 5.707 1.00 1.12 C ATOM 981 O THR A 70 14.607 1.667 4.966 1.00 1.26 O ATOM 982 CB THR A 70 14.138 0.938 8.269 1.00 1.74 C ATOM 983 OG1 THR A 70 13.861 1.790 9.359 1.00 2.28 O ATOM 984 CG2 THR A 70 15.656 0.801 8.156 1.00 1.83 C ATOM 0 H THR A 70 11.619 0.882 7.605 1.00 1.37 H new ATOM 0 HA THR A 70 13.964 2.636 7.082 1.00 1.31 H new ATOM 0 HB THR A 70 13.738 -0.072 8.359 1.00 1.74 H new ATOM 0 HG1 THR A 70 13.323 1.309 10.022 1.00 2.28 H new ATOM 0 HG21 THR A 70 16.042 0.291 9.039 1.00 1.83 H new ATOM 0 HG22 THR A 70 15.904 0.223 7.266 1.00 1.83 H new ATOM 0 HG23 THR A 70 16.106 1.791 8.083 1.00 1.83 H new ATOM 992 N SER A 71 13.136 0.006 5.291 1.00 0.97 N ATOM 993 CA SER A 71 12.939 -0.315 3.872 1.00 1.00 C ATOM 994 C SER A 71 11.427 -0.488 3.593 1.00 0.95 C ATOM 995 O SER A 71 10.782 -1.317 4.244 1.00 1.04 O ATOM 996 CB SER A 71 13.713 -1.589 3.492 1.00 1.09 C ATOM 997 OG SER A 71 15.112 -1.427 3.677 1.00 1.57 O ATOM 0 H SER A 71 12.679 -0.647 5.927 1.00 0.97 H new ATOM 0 HA SER A 71 13.324 0.502 3.261 1.00 1.00 H new ATOM 0 HB2 SER A 71 13.360 -2.424 4.097 1.00 1.09 H new ATOM 0 HB3 SER A 71 13.510 -1.842 2.451 1.00 1.09 H new ATOM 0 HG SER A 71 15.573 -2.255 3.428 1.00 1.57 H new ATOM 1003 N PRO A 72 10.815 0.284 2.671 1.00 0.95 N ATOM 1004 CA PRO A 72 9.487 -0.025 2.164 1.00 0.92 C ATOM 1005 C PRO A 72 9.600 -1.269 1.280 1.00 0.94 C ATOM 1006 O PRO A 72 10.424 -1.323 0.369 1.00 1.10 O ATOM 1007 CB PRO A 72 9.025 1.219 1.399 1.00 1.05 C ATOM 1008 CG PRO A 72 10.333 1.851 0.925 1.00 1.17 C ATOM 1009 CD PRO A 72 11.338 1.475 2.017 1.00 1.08 C ATOM 0 HA PRO A 72 8.756 -0.251 2.941 1.00 0.92 H new ATOM 0 HB2 PRO A 72 8.378 0.958 0.561 1.00 1.05 H new ATOM 0 HB3 PRO A 72 8.460 1.897 2.039 1.00 1.05 H new ATOM 0 HG2 PRO A 72 10.635 1.463 -0.048 1.00 1.17 H new ATOM 0 HG3 PRO A 72 10.240 2.932 0.822 1.00 1.17 H new ATOM 0 HD2 PRO A 72 12.321 1.282 1.589 1.00 1.08 H new ATOM 0 HD3 PRO A 72 11.456 2.289 2.732 1.00 1.08 H new ATOM 1017 N MET A 73 8.780 -2.281 1.558 1.00 1.02 N ATOM 1018 CA MET A 73 8.774 -3.556 0.838 1.00 1.15 C ATOM 1019 C MET A 73 7.393 -3.746 0.202 1.00 1.14 C ATOM 1020 O MET A 73 6.392 -3.379 0.809 1.00 1.36 O ATOM 1021 CB MET A 73 9.137 -4.651 1.846 1.00 1.38 C ATOM 1022 CG MET A 73 9.274 -6.033 1.208 1.00 1.86 C ATOM 1023 SD MET A 73 9.654 -7.322 2.420 1.00 3.62 S ATOM 1024 CE MET A 73 9.886 -8.718 1.299 1.00 4.30 C ATOM 0 H MET A 73 8.087 -2.238 2.305 1.00 1.02 H new ATOM 0 HA MET A 73 9.502 -3.591 0.028 1.00 1.15 H new ATOM 0 HB2 MET A 73 10.075 -4.389 2.336 1.00 1.38 H new ATOM 0 HB3 MET A 73 8.372 -4.690 2.622 1.00 1.38 H new ATOM 0 HG2 MET A 73 8.347 -6.285 0.693 1.00 1.86 H new ATOM 0 HG3 MET A 73 10.060 -6.005 0.454 1.00 1.86 H new ATOM 0 HE1 MET A 73 10.130 -9.611 1.875 1.00 4.30 H new ATOM 0 HE2 MET A 73 8.968 -8.889 0.736 1.00 4.30 H new ATOM 0 HE3 MET A 73 10.700 -8.499 0.608 1.00 4.30 H new ATOM 1034 N LEU A 74 7.297 -4.237 -1.039 1.00 1.39 N ATOM 1035 CA LEU A 74 6.049 -4.134 -1.813 1.00 1.37 C ATOM 1036 C LEU A 74 5.751 -5.403 -2.629 1.00 1.59 C ATOM 1037 O LEU A 74 6.584 -5.860 -3.418 1.00 1.84 O ATOM 1038 CB LEU A 74 6.085 -2.876 -2.705 1.00 1.40 C ATOM 1039 CG LEU A 74 6.544 -1.524 -2.098 1.00 1.84 C ATOM 1040 CD1 LEU A 74 8.066 -1.313 -2.208 1.00 2.02 C ATOM 1041 CD2 LEU A 74 5.885 -0.342 -2.829 1.00 2.80 C ATOM 0 H LEU A 74 8.060 -4.706 -1.528 1.00 1.39 H new ATOM 0 HA LEU A 74 5.226 -4.037 -1.105 1.00 1.37 H new ATOM 0 HB2 LEU A 74 6.738 -3.093 -3.550 1.00 1.40 H new ATOM 0 HB3 LEU A 74 5.082 -2.731 -3.106 1.00 1.40 H new ATOM 0 HG LEU A 74 6.249 -1.562 -1.049 1.00 1.84 H new ATOM 0 HD11 LEU A 74 8.333 -0.352 -1.768 1.00 2.02 H new ATOM 0 HD12 LEU A 74 8.583 -2.112 -1.676 1.00 2.02 H new ATOM 0 HD13 LEU A 74 8.360 -1.326 -3.257 1.00 2.02 H new ATOM 0 HD21 LEU A 74 6.223 0.594 -2.385 1.00 2.80 H new ATOM 0 HD22 LEU A 74 6.163 -0.365 -3.883 1.00 2.80 H new ATOM 0 HD23 LEU A 74 4.801 -0.417 -2.738 1.00 2.80 H new ATOM 1053 N MET A 75 4.551 -5.980 -2.473 1.00 1.66 N ATOM 1054 CA MET A 75 4.231 -7.304 -3.026 1.00 1.98 C ATOM 1055 C MET A 75 2.752 -7.464 -3.384 1.00 1.96 C ATOM 1056 O MET A 75 1.873 -7.311 -2.534 1.00 2.24 O ATOM 1057 CB MET A 75 4.688 -8.410 -2.061 1.00 2.29 C ATOM 1058 CG MET A 75 4.508 -9.810 -2.675 1.00 3.22 C ATOM 1059 SD MET A 75 5.185 -11.170 -1.693 1.00 3.82 S ATOM 1060 CE MET A 75 3.869 -11.342 -0.460 1.00 5.69 C ATOM 0 H MET A 75 3.781 -5.546 -1.964 1.00 1.66 H new ATOM 0 HA MET A 75 4.781 -7.397 -3.963 1.00 1.98 H new ATOM 0 HB2 MET A 75 5.736 -8.258 -1.803 1.00 2.29 H new ATOM 0 HB3 MET A 75 4.118 -8.343 -1.134 1.00 2.29 H new ATOM 0 HG2 MET A 75 3.444 -9.988 -2.829 1.00 3.22 H new ATOM 0 HG3 MET A 75 4.979 -9.822 -3.658 1.00 3.22 H new ATOM 0 HE1 MET A 75 4.123 -12.144 0.234 1.00 5.69 H new ATOM 0 HE2 MET A 75 3.761 -10.407 0.090 1.00 5.69 H new ATOM 0 HE3 MET A 75 2.930 -11.579 -0.961 1.00 5.69 H new ATOM 1070 N THR A 76 2.547 -7.850 -4.651 1.00 1.77 N ATOM 1071 CA THR A 76 1.245 -8.112 -5.284 1.00 1.70 C ATOM 1072 C THR A 76 1.325 -9.285 -6.263 1.00 1.82 C ATOM 1073 O THR A 76 1.441 -9.109 -7.479 1.00 2.59 O ATOM 1074 CB THR A 76 0.648 -6.825 -5.865 1.00 1.73 C ATOM 1075 OG1 THR A 76 -0.346 -7.159 -6.798 1.00 2.41 O ATOM 1076 CG2 THR A 76 1.670 -5.921 -6.552 1.00 1.93 C ATOM 0 H THR A 76 3.324 -7.996 -5.296 1.00 1.77 H new ATOM 0 HA THR A 76 0.536 -8.437 -4.522 1.00 1.70 H new ATOM 0 HB THR A 76 0.245 -6.267 -5.020 1.00 1.73 H new ATOM 0 HG1 THR A 76 -0.153 -6.720 -7.653 1.00 2.41 H new ATOM 0 HG21 THR A 76 1.169 -5.032 -6.936 1.00 1.93 H new ATOM 0 HG22 THR A 76 2.435 -5.625 -5.834 1.00 1.93 H new ATOM 0 HG23 THR A 76 2.136 -6.460 -7.377 1.00 1.93 H new ATOM 1084 N THR A 77 1.264 -10.492 -5.692 1.00 1.71 N ATOM 1085 CA THR A 77 1.421 -11.796 -6.340 1.00 1.93 C ATOM 1086 C THR A 77 0.074 -12.294 -6.860 1.00 2.12 C ATOM 1087 O THR A 77 -0.592 -13.101 -6.217 1.00 3.44 O ATOM 1088 CB THR A 77 2.088 -12.787 -5.365 1.00 2.17 C ATOM 1089 OG1 THR A 77 1.694 -12.512 -4.034 1.00 2.79 O ATOM 1090 CG2 THR A 77 3.610 -12.646 -5.415 1.00 2.97 C ATOM 0 H THR A 77 1.091 -10.589 -4.692 1.00 1.71 H new ATOM 0 HA THR A 77 2.077 -11.704 -7.206 1.00 1.93 H new ATOM 0 HB THR A 77 1.781 -13.790 -5.662 1.00 2.17 H new ATOM 0 HG1 THR A 77 2.124 -13.150 -3.427 1.00 2.79 H new ATOM 0 HG21 THR A 77 4.064 -13.353 -4.721 1.00 2.97 H new ATOM 0 HG22 THR A 77 3.962 -12.853 -6.426 1.00 2.97 H new ATOM 0 HG23 THR A 77 3.891 -11.631 -5.134 1.00 2.97 H new ATOM 1098 N THR A 78 -0.332 -11.792 -8.035 1.00 1.63 N ATOM 1099 CA THR A 78 -1.675 -12.005 -8.615 1.00 1.74 C ATOM 1100 C THR A 78 -1.651 -12.233 -10.124 1.00 1.78 C ATOM 1101 O THR A 78 -0.625 -12.044 -10.771 1.00 2.91 O ATOM 1102 CB THR A 78 -2.599 -10.853 -8.189 1.00 3.36 C ATOM 1103 OG1 THR A 78 -3.934 -11.230 -8.444 1.00 3.93 O ATOM 1104 CG2 THR A 78 -2.300 -9.532 -8.904 1.00 4.67 C ATOM 0 H THR A 78 0.271 -11.216 -8.623 1.00 1.63 H new ATOM 0 HA THR A 78 -2.079 -12.935 -8.216 1.00 1.74 H new ATOM 0 HB THR A 78 -2.427 -10.676 -7.127 1.00 3.36 H new ATOM 0 HG1 THR A 78 -4.536 -10.505 -8.175 1.00 3.93 H new ATOM 0 HG21 THR A 78 -2.990 -8.764 -8.554 1.00 4.67 H new ATOM 0 HG22 THR A 78 -1.277 -9.225 -8.688 1.00 4.67 H new ATOM 0 HG23 THR A 78 -2.420 -9.665 -9.979 1.00 4.67 H new ATOM 1112 N HIS A 79 -2.779 -12.640 -10.704 1.00 1.95 N ATOM 1113 CA HIS A 79 -2.947 -12.869 -12.147 1.00 3.23 C ATOM 1114 C HIS A 79 -4.323 -12.372 -12.641 1.00 3.58 C ATOM 1115 O HIS A 79 -5.285 -13.120 -12.806 1.00 4.66 O ATOM 1116 CB HIS A 79 -2.623 -14.343 -12.487 1.00 4.62 C ATOM 1117 CG HIS A 79 -3.373 -15.428 -11.742 1.00 4.77 C ATOM 1118 ND1 HIS A 79 -2.935 -16.113 -10.626 1.00 5.58 N ATOM 1119 CD2 HIS A 79 -4.542 -16.028 -12.137 1.00 5.06 C ATOM 1120 CE1 HIS A 79 -3.830 -17.076 -10.347 1.00 6.01 C ATOM 1121 NE2 HIS A 79 -4.836 -17.066 -11.241 1.00 5.73 N ATOM 0 H HIS A 79 -3.629 -12.826 -10.172 1.00 1.95 H new ATOM 0 HA HIS A 79 -2.229 -12.268 -12.705 1.00 3.23 H new ATOM 0 HB2 HIS A 79 -2.801 -14.486 -13.553 1.00 4.62 H new ATOM 0 HB3 HIS A 79 -1.557 -14.498 -12.318 1.00 4.62 H new ATOM 0 HD2 HIS A 79 -5.136 -15.748 -12.994 1.00 5.06 H new ATOM 0 HE1 HIS A 79 -3.753 -17.764 -9.518 1.00 6.01 H new ATOM 0 HE2 HIS A 79 -5.646 -17.686 -11.262 1.00 5.73 H new ATOM 1129 N SER A 80 -4.445 -11.068 -12.874 1.00 3.22 N ATOM 1130 CA SER A 80 -5.742 -10.409 -13.071 1.00 3.55 C ATOM 1131 C SER A 80 -5.597 -8.983 -13.646 1.00 3.62 C ATOM 1132 O SER A 80 -4.497 -8.438 -13.792 1.00 4.71 O ATOM 1133 CB SER A 80 -6.524 -10.417 -11.734 1.00 3.47 C ATOM 1134 OG SER A 80 -7.914 -10.311 -11.978 1.00 4.77 O ATOM 0 H SER A 80 -3.649 -10.433 -12.932 1.00 3.22 H new ATOM 0 HA SER A 80 -6.306 -10.969 -13.817 1.00 3.55 H new ATOM 0 HB2 SER A 80 -6.313 -11.336 -11.187 1.00 3.47 H new ATOM 0 HB3 SER A 80 -6.194 -9.589 -11.107 1.00 3.47 H new ATOM 0 HG SER A 80 -8.397 -10.319 -11.126 1.00 4.77 H new ATOM 1140 N GLY A 81 -6.726 -8.379 -14.033 1.00 3.32 N ATOM 1141 CA GLY A 81 -6.744 -7.156 -14.836 1.00 4.14 C ATOM 1142 C GLY A 81 -6.010 -7.418 -16.156 1.00 4.25 C ATOM 1143 O GLY A 81 -6.462 -8.234 -16.960 1.00 4.74 O ATOM 0 H GLY A 81 -7.655 -8.728 -13.796 1.00 3.32 H new ATOM 0 HA2 GLY A 81 -7.771 -6.848 -15.031 1.00 4.14 H new ATOM 0 HA3 GLY A 81 -6.264 -6.342 -14.293 1.00 4.14 H new ATOM 1147 N GLY A 82 -4.855 -6.772 -16.339 1.00 4.44 N ATOM 1148 CA GLY A 82 -3.953 -6.982 -17.477 1.00 4.79 C ATOM 1149 C GLY A 82 -2.583 -7.557 -17.111 1.00 4.34 C ATOM 1150 O GLY A 82 -1.757 -7.683 -18.010 1.00 4.81 O ATOM 0 H GLY A 82 -4.512 -6.070 -15.683 1.00 4.44 H new ATOM 0 HA2 GLY A 82 -4.436 -7.654 -18.186 1.00 4.79 H new ATOM 0 HA3 GLY A 82 -3.807 -6.030 -17.988 1.00 4.79 H new ATOM 1154 N MET A 83 -2.309 -7.889 -15.840 1.00 3.69 N ATOM 1155 CA MET A 83 -0.951 -8.182 -15.346 1.00 3.55 C ATOM 1156 C MET A 83 -0.909 -9.492 -14.550 1.00 3.07 C ATOM 1157 O MET A 83 -1.894 -9.876 -13.917 1.00 2.91 O ATOM 1158 CB MET A 83 -0.458 -6.998 -14.492 1.00 3.78 C ATOM 1159 CG MET A 83 1.063 -6.829 -14.573 1.00 4.45 C ATOM 1160 SD MET A 83 1.684 -5.414 -13.630 1.00 5.49 S ATOM 1161 CE MET A 83 3.331 -5.293 -14.362 1.00 6.26 C ATOM 0 H MET A 83 -3.027 -7.963 -15.120 1.00 3.69 H new ATOM 0 HA MET A 83 -0.287 -8.313 -16.201 1.00 3.55 H new ATOM 0 HB2 MET A 83 -0.943 -6.082 -14.827 1.00 3.78 H new ATOM 0 HB3 MET A 83 -0.751 -7.152 -13.454 1.00 3.78 H new ATOM 0 HG2 MET A 83 1.541 -7.737 -14.207 1.00 4.45 H new ATOM 0 HG3 MET A 83 1.353 -6.715 -15.618 1.00 4.45 H new ATOM 0 HE1 MET A 83 3.873 -4.467 -13.903 1.00 6.26 H new ATOM 0 HE2 MET A 83 3.874 -6.223 -14.192 1.00 6.26 H new ATOM 0 HE3 MET A 83 3.241 -5.117 -15.434 1.00 6.26 H new ATOM 1171 N ALA A 84 0.226 -10.206 -14.565 1.00 3.14 N ATOM 1172 CA ALA A 84 0.336 -11.526 -13.938 1.00 2.81 C ATOM 1173 C ALA A 84 1.734 -11.914 -13.428 1.00 3.18 C ATOM 1174 O ALA A 84 2.741 -11.719 -14.110 1.00 3.91 O ATOM 1175 CB ALA A 84 -0.200 -12.583 -14.914 1.00 2.87 C ATOM 0 H ALA A 84 1.086 -9.885 -15.009 1.00 3.14 H new ATOM 0 HA ALA A 84 -0.265 -11.476 -13.030 1.00 2.81 H new ATOM 0 HB1 ALA A 84 -0.124 -13.570 -14.459 1.00 2.87 H new ATOM 0 HB2 ALA A 84 -1.244 -12.369 -15.144 1.00 2.87 H new ATOM 0 HB3 ALA A 84 0.386 -12.561 -15.833 1.00 2.87 H new ATOM 1181 N GLY A 85 1.755 -12.544 -12.248 1.00 2.97 N ATOM 1182 CA GLY A 85 2.945 -13.087 -11.580 1.00 3.67 C ATOM 1183 C GLY A 85 3.802 -12.003 -10.936 1.00 2.42 C ATOM 1184 O GLY A 85 5.023 -12.121 -10.931 1.00 3.45 O ATOM 0 H GLY A 85 0.904 -12.697 -11.707 1.00 2.97 H new ATOM 0 HA2 GLY A 85 2.635 -13.801 -10.817 1.00 3.67 H new ATOM 0 HA3 GLY A 85 3.545 -13.636 -12.305 1.00 3.67 H new ATOM 1188 N MET A 86 3.192 -10.906 -10.478 1.00 2.01 N ATOM 1189 CA MET A 86 3.902 -9.646 -10.221 1.00 2.33 C ATOM 1190 C MET A 86 4.379 -9.478 -8.765 1.00 2.29 C ATOM 1191 O MET A 86 3.996 -10.223 -7.869 1.00 3.83 O ATOM 1192 CB MET A 86 3.026 -8.487 -10.724 1.00 4.89 C ATOM 1193 CG MET A 86 3.763 -7.148 -10.849 1.00 6.34 C ATOM 1194 SD MET A 86 5.348 -7.187 -11.730 1.00 7.13 S ATOM 1195 CE MET A 86 5.820 -5.455 -11.519 1.00 9.32 C ATOM 0 H MET A 86 2.193 -10.865 -10.275 1.00 2.01 H new ATOM 0 HA MET A 86 4.839 -9.652 -10.778 1.00 2.33 H new ATOM 0 HB2 MET A 86 2.614 -8.754 -11.697 1.00 4.89 H new ATOM 0 HB3 MET A 86 2.183 -8.362 -10.044 1.00 4.89 H new ATOM 0 HG2 MET A 86 3.106 -6.441 -11.356 1.00 6.34 H new ATOM 0 HG3 MET A 86 3.938 -6.758 -9.846 1.00 6.34 H new ATOM 0 HE1 MET A 86 6.138 -5.045 -12.478 1.00 9.32 H new ATOM 0 HE2 MET A 86 4.967 -4.888 -11.147 1.00 9.32 H new ATOM 0 HE3 MET A 86 6.641 -5.386 -10.805 1.00 9.32 H new ATOM 1205 N LYS A 87 5.302 -8.540 -8.534 1.00 2.07 N ATOM 1206 CA LYS A 87 5.958 -8.214 -7.260 1.00 2.16 C ATOM 1207 C LYS A 87 6.824 -6.942 -7.391 1.00 1.84 C ATOM 1208 O LYS A 87 7.024 -6.447 -8.497 1.00 2.68 O ATOM 1209 CB LYS A 87 6.694 -9.419 -6.609 1.00 2.99 C ATOM 1210 CG LYS A 87 7.656 -10.256 -7.480 1.00 3.40 C ATOM 1211 CD LYS A 87 6.953 -11.357 -8.297 1.00 4.84 C ATOM 1212 CE LYS A 87 7.912 -12.404 -8.873 1.00 6.06 C ATOM 1213 NZ LYS A 87 7.169 -13.418 -9.662 1.00 7.52 N ATOM 0 H LYS A 87 5.637 -7.942 -9.289 1.00 2.07 H new ATOM 0 HA LYS A 87 5.169 -7.982 -6.545 1.00 2.16 H new ATOM 0 HB2 LYS A 87 7.262 -9.040 -5.759 1.00 2.99 H new ATOM 0 HB3 LYS A 87 5.936 -10.094 -6.211 1.00 2.99 H new ATOM 0 HG2 LYS A 87 8.185 -9.591 -8.163 1.00 3.40 H new ATOM 0 HG3 LYS A 87 8.407 -10.716 -6.837 1.00 3.40 H new ATOM 0 HD2 LYS A 87 6.222 -11.857 -7.662 1.00 4.84 H new ATOM 0 HD3 LYS A 87 6.401 -10.894 -9.115 1.00 4.84 H new ATOM 0 HE2 LYS A 87 8.654 -11.916 -9.505 1.00 6.06 H new ATOM 0 HE3 LYS A 87 8.455 -12.892 -8.063 1.00 6.06 H new ATOM 0 HZ1 LYS A 87 7.832 -13.938 -10.271 1.00 7.52 H new ATOM 0 HZ2 LYS A 87 6.697 -14.083 -9.016 1.00 7.52 H new ATOM 0 HZ3 LYS A 87 6.456 -12.944 -10.253 1.00 7.52 H new ATOM 1227 N MET A 88 7.243 -6.366 -6.254 1.00 2.34 N ATOM 1228 CA MET A 88 8.166 -5.221 -6.062 1.00 2.54 C ATOM 1229 C MET A 88 7.504 -3.836 -5.975 1.00 2.65 C ATOM 1230 O MET A 88 8.162 -2.913 -5.515 1.00 4.09 O ATOM 1231 CB MET A 88 9.347 -5.158 -7.059 1.00 3.05 C ATOM 1232 CG MET A 88 10.310 -6.348 -6.971 1.00 3.33 C ATOM 1233 SD MET A 88 11.621 -6.342 -8.227 1.00 4.06 S ATOM 1234 CE MET A 88 12.490 -4.808 -7.805 1.00 5.08 C ATOM 0 H MET A 88 6.916 -6.720 -5.355 1.00 2.34 H new ATOM 0 HA MET A 88 8.564 -5.454 -5.075 1.00 2.54 H new ATOM 0 HB2 MET A 88 8.949 -5.101 -8.072 1.00 3.05 H new ATOM 0 HB3 MET A 88 9.906 -4.239 -6.884 1.00 3.05 H new ATOM 0 HG2 MET A 88 10.770 -6.356 -5.983 1.00 3.33 H new ATOM 0 HG3 MET A 88 9.738 -7.271 -7.064 1.00 3.33 H new ATOM 0 HE1 MET A 88 13.439 -4.768 -8.340 1.00 5.08 H new ATOM 0 HE2 MET A 88 11.877 -3.953 -8.089 1.00 5.08 H new ATOM 0 HE3 MET A 88 12.678 -4.780 -6.732 1.00 5.08 H new ATOM 1244 N VAL A 89 6.227 -3.702 -6.353 1.00 1.86 N ATOM 1245 CA VAL A 89 5.389 -2.480 -6.258 1.00 1.88 C ATOM 1246 C VAL A 89 3.947 -2.769 -6.725 1.00 1.62 C ATOM 1247 O VAL A 89 3.798 -3.402 -7.775 1.00 1.60 O ATOM 1248 CB VAL A 89 5.996 -1.258 -7.015 1.00 2.18 C ATOM 1249 CG1 VAL A 89 6.348 -1.561 -8.485 1.00 2.11 C ATOM 1250 CG2 VAL A 89 5.088 -0.018 -6.958 1.00 4.01 C ATOM 0 H VAL A 89 5.712 -4.484 -6.758 1.00 1.86 H new ATOM 0 HA VAL A 89 5.366 -2.199 -5.205 1.00 1.88 H new ATOM 0 HB VAL A 89 6.923 -1.044 -6.483 1.00 2.18 H new ATOM 0 HG11 VAL A 89 6.765 -0.668 -8.951 1.00 2.11 H new ATOM 0 HG12 VAL A 89 7.081 -2.367 -8.525 1.00 2.11 H new ATOM 0 HG13 VAL A 89 5.447 -1.862 -9.020 1.00 2.11 H new ATOM 0 HG21 VAL A 89 5.558 0.802 -7.500 1.00 4.01 H new ATOM 0 HG22 VAL A 89 4.126 -0.250 -7.414 1.00 4.01 H new ATOM 0 HG23 VAL A 89 4.936 0.274 -5.919 1.00 4.01 H new ATOM 1260 N PRO A 90 2.892 -2.340 -5.993 1.00 1.67 N ATOM 1261 CA PRO A 90 1.554 -2.209 -6.539 1.00 1.59 C ATOM 1262 C PRO A 90 1.470 -0.927 -7.366 1.00 1.60 C ATOM 1263 O PRO A 90 1.400 0.188 -6.847 1.00 2.93 O ATOM 1264 CB PRO A 90 0.603 -2.206 -5.344 1.00 2.03 C ATOM 1265 CG PRO A 90 1.444 -1.594 -4.224 1.00 2.30 C ATOM 1266 CD PRO A 90 2.876 -2.006 -4.575 1.00 2.09 C ATOM 0 HA PRO A 90 1.288 -3.025 -7.210 1.00 1.59 H new ATOM 0 HB2 PRO A 90 -0.291 -1.616 -5.544 1.00 2.03 H new ATOM 0 HB3 PRO A 90 0.270 -3.213 -5.092 1.00 2.03 H new ATOM 0 HG2 PRO A 90 1.337 -0.510 -4.190 1.00 2.30 H new ATOM 0 HG3 PRO A 90 1.146 -1.974 -3.247 1.00 2.30 H new ATOM 0 HD2 PRO A 90 3.573 -1.195 -4.363 1.00 2.09 H new ATOM 0 HD3 PRO A 90 3.189 -2.860 -3.975 1.00 2.09 H new ATOM 1274 N TRP A 91 1.487 -1.124 -8.681 1.00 1.11 N ATOM 1275 CA TRP A 91 1.147 -0.133 -9.685 1.00 1.27 C ATOM 1276 C TRP A 91 -0.191 0.539 -9.355 1.00 1.59 C ATOM 1277 O TRP A 91 -1.205 -0.120 -9.112 1.00 2.38 O ATOM 1278 CB TRP A 91 1.078 -0.850 -11.045 1.00 1.83 C ATOM 1279 CG TRP A 91 0.060 -1.962 -11.127 1.00 2.10 C ATOM 1280 CD1 TRP A 91 -1.242 -1.791 -11.459 1.00 2.49 C ATOM 1281 CD2 TRP A 91 0.162 -3.366 -10.717 1.00 2.51 C ATOM 1282 NE1 TRP A 91 -1.947 -2.949 -11.244 1.00 2.81 N ATOM 1283 CE2 TRP A 91 -1.136 -3.960 -10.784 1.00 2.83 C ATOM 1284 CE3 TRP A 91 1.199 -4.192 -10.223 1.00 3.09 C ATOM 1285 CZ2 TRP A 91 -1.400 -5.275 -10.392 1.00 3.44 C ATOM 1286 CZ3 TRP A 91 0.946 -5.517 -9.830 1.00 3.84 C ATOM 1287 CH2 TRP A 91 -0.344 -6.067 -9.916 1.00 3.93 C ATOM 0 H TRP A 91 1.751 -2.021 -9.089 1.00 1.11 H new ATOM 0 HA TRP A 91 1.902 0.652 -9.711 1.00 1.27 H new ATOM 0 HB2 TRP A 91 0.853 -0.114 -11.816 1.00 1.83 H new ATOM 0 HB3 TRP A 91 2.062 -1.260 -11.273 1.00 1.83 H new ATOM 0 HD1 TRP A 91 -1.666 -0.873 -11.839 1.00 2.49 H new ATOM 0 HE1 TRP A 91 -2.949 -3.048 -11.406 1.00 2.81 H new ATOM 0 HE3 TRP A 91 2.202 -3.798 -10.147 1.00 3.09 H new ATOM 0 HZ2 TRP A 91 -2.401 -5.675 -10.454 1.00 3.44 H new ATOM 0 HZ3 TRP A 91 1.757 -6.123 -9.455 1.00 3.84 H new ATOM 0 HH2 TRP A 91 -0.521 -7.090 -9.618 1.00 3.93 H new ATOM 1298 N LEU A 92 -0.225 1.870 -9.401 1.00 1.84 N ATOM 1299 CA LEU A 92 -1.460 2.619 -9.155 1.00 2.49 C ATOM 1300 C LEU A 92 -2.173 2.942 -10.474 1.00 2.16 C ATOM 1301 O LEU A 92 -2.452 4.103 -10.773 1.00 2.97 O ATOM 1302 CB LEU A 92 -1.220 3.778 -8.166 1.00 3.87 C ATOM 1303 CG LEU A 92 -2.368 4.009 -7.155 1.00 4.96 C ATOM 1304 CD1 LEU A 92 -1.838 4.728 -5.903 1.00 6.53 C ATOM 1305 CD2 LEU A 92 -3.546 4.830 -7.709 1.00 5.91 C ATOM 0 H LEU A 92 0.587 2.453 -9.606 1.00 1.84 H new ATOM 0 HA LEU A 92 -2.188 2.004 -8.627 1.00 2.49 H new ATOM 0 HB2 LEU A 92 -0.301 3.583 -7.614 1.00 3.87 H new ATOM 0 HB3 LEU A 92 -1.062 4.696 -8.733 1.00 3.87 H new ATOM 0 HG LEU A 92 -2.744 3.013 -6.922 1.00 4.96 H new ATOM 0 HD11 LEU A 92 -2.656 4.884 -5.200 1.00 6.53 H new ATOM 0 HD12 LEU A 92 -1.066 4.118 -5.433 1.00 6.53 H new ATOM 0 HD13 LEU A 92 -1.415 5.691 -6.188 1.00 6.53 H new ATOM 0 HD21 LEU A 92 -4.305 4.944 -6.936 1.00 5.91 H new ATOM 0 HD22 LEU A 92 -3.191 5.813 -8.017 1.00 5.91 H new ATOM 0 HD23 LEU A 92 -3.977 4.314 -8.567 1.00 5.91 H new ATOM 1317 N THR A 93 -2.467 1.897 -11.272 1.00 1.87 N ATOM 1318 CA THR A 93 -3.271 1.977 -12.504 1.00 2.26 C ATOM 1319 C THR A 93 -4.343 0.884 -12.588 1.00 2.01 C ATOM 1320 O THR A 93 -4.058 -0.301 -12.433 1.00 2.38 O ATOM 1321 CB THR A 93 -2.377 2.091 -13.746 1.00 3.40 C ATOM 1322 OG1 THR A 93 -3.190 2.326 -14.872 1.00 4.42 O ATOM 1323 CG2 THR A 93 -1.489 0.876 -14.023 1.00 4.60 C ATOM 0 H THR A 93 -2.143 0.951 -11.071 1.00 1.87 H new ATOM 0 HA THR A 93 -3.845 2.903 -12.467 1.00 2.26 H new ATOM 0 HB THR A 93 -1.695 2.917 -13.545 1.00 3.40 H new ATOM 0 HG1 THR A 93 -2.628 2.402 -15.671 1.00 4.42 H new ATOM 0 HG21 THR A 93 -0.897 1.055 -14.920 1.00 4.60 H new ATOM 0 HG22 THR A 93 -0.823 0.711 -13.176 1.00 4.60 H new ATOM 0 HG23 THR A 93 -2.114 -0.005 -14.170 1.00 4.60 H new ATOM 1331 N ILE A 94 -5.603 1.311 -12.744 1.00 1.82 N ATOM 1332 CA ILE A 94 -6.795 0.444 -12.720 1.00 1.75 C ATOM 1333 C ILE A 94 -7.508 0.384 -14.087 1.00 1.67 C ATOM 1334 O ILE A 94 -7.883 1.429 -14.624 1.00 1.84 O ATOM 1335 CB ILE A 94 -7.761 0.904 -11.598 1.00 2.17 C ATOM 1336 CG1 ILE A 94 -8.808 -0.189 -11.320 1.00 3.50 C ATOM 1337 CG2 ILE A 94 -8.412 2.276 -11.833 1.00 2.82 C ATOM 1338 CD1 ILE A 94 -9.594 0.030 -10.023 1.00 4.43 C ATOM 0 H ILE A 94 -5.831 2.294 -12.894 1.00 1.82 H new ATOM 0 HA ILE A 94 -6.463 -0.572 -12.506 1.00 1.75 H new ATOM 0 HB ILE A 94 -7.147 1.050 -10.709 1.00 2.17 H new ATOM 0 HG12 ILE A 94 -9.507 -0.232 -12.156 1.00 3.50 H new ATOM 0 HG13 ILE A 94 -8.308 -1.156 -11.273 1.00 3.50 H new ATOM 0 HG21 ILE A 94 -9.071 2.514 -10.998 1.00 2.82 H new ATOM 0 HG22 ILE A 94 -7.637 3.038 -11.912 1.00 2.82 H new ATOM 0 HG23 ILE A 94 -8.991 2.251 -12.756 1.00 2.82 H new ATOM 0 HD11 ILE A 94 -10.313 -0.779 -9.892 1.00 4.43 H new ATOM 0 HD12 ILE A 94 -8.905 0.043 -9.178 1.00 4.43 H new ATOM 0 HD13 ILE A 94 -10.123 0.982 -10.075 1.00 4.43 H new ATOM 1350 N PRO A 95 -7.785 -0.810 -14.644 1.00 1.97 N ATOM 1351 CA PRO A 95 -8.662 -0.947 -15.801 1.00 2.29 C ATOM 1352 C PRO A 95 -10.127 -0.866 -15.334 1.00 1.97 C ATOM 1353 O PRO A 95 -10.804 -1.889 -15.302 1.00 2.53 O ATOM 1354 CB PRO A 95 -8.262 -2.287 -16.430 1.00 3.03 C ATOM 1355 CG PRO A 95 -7.827 -3.129 -15.230 1.00 3.05 C ATOM 1356 CD PRO A 95 -7.236 -2.105 -14.261 1.00 2.48 C ATOM 0 HA PRO A 95 -8.565 -0.157 -16.546 1.00 2.29 H new ATOM 0 HB2 PRO A 95 -9.096 -2.746 -16.961 1.00 3.03 H new ATOM 0 HB3 PRO A 95 -7.453 -2.167 -17.150 1.00 3.03 H new ATOM 0 HG2 PRO A 95 -8.670 -3.659 -14.787 1.00 3.05 H new ATOM 0 HG3 PRO A 95 -7.091 -3.881 -15.515 1.00 3.05 H new ATOM 0 HD2 PRO A 95 -7.498 -2.349 -13.231 1.00 2.48 H new ATOM 0 HD3 PRO A 95 -6.148 -2.098 -14.320 1.00 2.48 H new ATOM 1364 N ALA A 96 -10.555 0.348 -14.931 1.00 1.80 N ATOM 1365 CA ALA A 96 -11.854 0.794 -14.366 1.00 1.98 C ATOM 1366 C ALA A 96 -13.003 -0.231 -14.215 1.00 2.03 C ATOM 1367 O ALA A 96 -14.100 -0.035 -14.733 1.00 2.89 O ATOM 1368 CB ALA A 96 -12.278 2.059 -15.124 1.00 2.50 C ATOM 0 H ALA A 96 -9.919 1.143 -15.002 1.00 1.80 H new ATOM 0 HA ALA A 96 -11.658 0.982 -13.310 1.00 1.98 H new ATOM 0 HB1 ALA A 96 -13.231 2.415 -14.733 1.00 2.50 H new ATOM 0 HB2 ALA A 96 -11.521 2.832 -14.993 1.00 2.50 H new ATOM 0 HB3 ALA A 96 -12.383 1.830 -16.184 1.00 2.50 H new ATOM 1374 N ARG A 97 -12.734 -1.293 -13.447 1.00 2.03 N ATOM 1375 CA ARG A 97 -13.485 -2.565 -13.356 1.00 1.94 C ATOM 1376 C ARG A 97 -12.647 -3.701 -12.737 1.00 1.96 C ATOM 1377 O ARG A 97 -13.169 -4.511 -11.973 1.00 2.52 O ATOM 1378 CB ARG A 97 -13.963 -3.029 -14.758 1.00 1.90 C ATOM 1379 CG ARG A 97 -15.468 -2.830 -14.979 1.00 2.20 C ATOM 1380 CD ARG A 97 -15.782 -2.703 -16.476 1.00 2.73 C ATOM 1381 NE ARG A 97 -17.220 -2.902 -16.724 1.00 3.52 N ATOM 1382 CZ ARG A 97 -17.814 -4.080 -16.882 1.00 3.84 C ATOM 1383 NH1 ARG A 97 -17.139 -5.206 -16.986 1.00 3.87 N ATOM 1384 NH2 ARG A 97 -19.122 -4.128 -16.933 1.00 4.86 N ATOM 0 H ARG A 97 -11.927 -1.293 -12.824 1.00 2.03 H new ATOM 0 HA ARG A 97 -14.339 -2.362 -12.709 1.00 1.94 H new ATOM 0 HB2 ARG A 97 -13.414 -2.479 -15.522 1.00 1.90 H new ATOM 0 HB3 ARG A 97 -13.719 -4.084 -14.887 1.00 1.90 H new ATOM 0 HG2 ARG A 97 -16.017 -3.671 -14.557 1.00 2.20 H new ATOM 0 HG3 ARG A 97 -15.803 -1.935 -14.454 1.00 2.20 H new ATOM 0 HD2 ARG A 97 -15.479 -1.719 -16.834 1.00 2.73 H new ATOM 0 HD3 ARG A 97 -15.206 -3.438 -17.037 1.00 2.73 H new ATOM 0 HE ARG A 97 -17.807 -2.069 -16.779 1.00 3.52 H new ATOM 0 HH11 ARG A 97 -16.120 -5.195 -16.946 1.00 3.87 H new ATOM 0 HH12 ARG A 97 -17.635 -6.089 -17.106 1.00 3.87 H new ATOM 0 HH21 ARG A 97 -19.667 -3.270 -16.852 1.00 4.86 H new ATOM 0 HH22 ARG A 97 -19.595 -5.023 -17.054 1.00 4.86 H new ATOM 1398 N GLY A 98 -11.357 -3.760 -13.094 1.00 1.69 N ATOM 1399 CA GLY A 98 -10.379 -4.738 -12.594 1.00 1.71 C ATOM 1400 C GLY A 98 -9.599 -4.220 -11.386 1.00 1.69 C ATOM 1401 O GLY A 98 -9.842 -3.110 -10.925 1.00 2.34 O ATOM 0 H GLY A 98 -10.951 -3.105 -13.762 1.00 1.69 H new ATOM 0 HA2 GLY A 98 -10.897 -5.658 -12.321 1.00 1.71 H new ATOM 0 HA3 GLY A 98 -9.681 -4.990 -13.392 1.00 1.71 H new ATOM 1405 N THR A 99 -8.677 -5.029 -10.860 1.00 2.44 N ATOM 1406 CA THR A 99 -8.134 -4.845 -9.506 1.00 2.76 C ATOM 1407 C THR A 99 -6.858 -4.010 -9.487 1.00 2.13 C ATOM 1408 O THR A 99 -5.833 -4.422 -10.022 1.00 2.77 O ATOM 1409 CB THR A 99 -7.878 -6.208 -8.849 1.00 4.14 C ATOM 1410 OG1 THR A 99 -9.024 -7.011 -9.041 1.00 5.09 O ATOM 1411 CG2 THR A 99 -7.640 -6.090 -7.341 1.00 4.20 C ATOM 0 H THR A 99 -8.284 -5.829 -11.356 1.00 2.44 H new ATOM 0 HA THR A 99 -8.884 -4.294 -8.938 1.00 2.76 H new ATOM 0 HB THR A 99 -6.986 -6.638 -9.305 1.00 4.14 H new ATOM 0 HG1 THR A 99 -8.881 -7.889 -8.630 1.00 5.09 H new ATOM 0 HG21 THR A 99 -7.464 -7.081 -6.922 1.00 4.20 H new ATOM 0 HG22 THR A 99 -6.771 -5.459 -7.158 1.00 4.20 H new ATOM 0 HG23 THR A 99 -8.516 -5.647 -6.868 1.00 4.20 H new ATOM 1419 N LEU A 100 -6.910 -2.856 -8.826 1.00 1.53 N ATOM 1420 CA LEU A 100 -5.772 -2.182 -8.231 1.00 1.38 C ATOM 1421 C LEU A 100 -5.879 -2.288 -6.691 1.00 1.32 C ATOM 1422 O LEU A 100 -6.772 -1.664 -6.116 1.00 1.34 O ATOM 1423 CB LEU A 100 -5.879 -0.741 -8.762 1.00 1.75 C ATOM 1424 CG LEU A 100 -4.634 0.139 -8.641 1.00 2.62 C ATOM 1425 CD1 LEU A 100 -5.007 1.557 -9.100 1.00 4.23 C ATOM 1426 CD2 LEU A 100 -4.041 0.244 -7.237 1.00 3.53 C ATOM 0 H LEU A 100 -7.784 -2.349 -8.688 1.00 1.53 H new ATOM 0 HA LEU A 100 -4.800 -2.606 -8.484 1.00 1.38 H new ATOM 0 HB2 LEU A 100 -6.159 -0.788 -9.814 1.00 1.75 H new ATOM 0 HB3 LEU A 100 -6.696 -0.246 -8.236 1.00 1.75 H new ATOM 0 HG LEU A 100 -3.871 -0.336 -9.258 1.00 2.62 H new ATOM 0 HD11 LEU A 100 -4.134 2.206 -9.023 1.00 4.23 H new ATOM 0 HD12 LEU A 100 -5.347 1.527 -10.135 1.00 4.23 H new ATOM 0 HD13 LEU A 100 -5.805 1.946 -8.468 1.00 4.23 H new ATOM 0 HD21 LEU A 100 -3.163 0.890 -7.260 1.00 3.53 H new ATOM 0 HD22 LEU A 100 -4.783 0.665 -6.559 1.00 3.53 H new ATOM 0 HD23 LEU A 100 -3.753 -0.748 -6.889 1.00 3.53 H new ATOM 1438 N THR A 101 -4.958 -3.027 -6.046 1.00 1.58 N ATOM 1439 CA THR A 101 -4.643 -3.032 -4.602 1.00 2.17 C ATOM 1440 C THR A 101 -5.696 -3.685 -3.709 1.00 1.97 C ATOM 1441 O THR A 101 -6.895 -3.513 -3.914 1.00 3.86 O ATOM 1442 CB THR A 101 -3.992 -1.721 -4.140 1.00 4.91 C ATOM 1443 OG1 THR A 101 -3.282 -1.950 -2.953 1.00 6.28 O ATOM 1444 CG2 THR A 101 -4.916 -0.534 -3.890 1.00 6.49 C ATOM 0 H THR A 101 -4.370 -3.686 -6.557 1.00 1.58 H new ATOM 0 HA THR A 101 -3.840 -3.753 -4.449 1.00 2.17 H new ATOM 0 HB THR A 101 -3.367 -1.436 -4.987 1.00 4.91 H new ATOM 0 HG1 THR A 101 -3.910 -2.012 -2.203 1.00 6.28 H new ATOM 0 HG21 THR A 101 -4.326 0.325 -3.569 1.00 6.49 H new ATOM 0 HG22 THR A 101 -5.447 -0.287 -4.809 1.00 6.49 H new ATOM 0 HG23 THR A 101 -5.636 -0.791 -3.113 1.00 6.49 H new ATOM 1452 N LEU A 102 -5.234 -4.477 -2.731 1.00 1.44 N ATOM 1453 CA LEU A 102 -6.068 -5.216 -1.782 1.00 3.26 C ATOM 1454 C LEU A 102 -5.522 -5.124 -0.341 1.00 2.49 C ATOM 1455 O LEU A 102 -5.877 -4.253 0.450 1.00 2.56 O ATOM 1456 CB LEU A 102 -6.221 -6.691 -2.247 1.00 5.14 C ATOM 1457 CG LEU A 102 -6.913 -6.932 -3.605 1.00 6.90 C ATOM 1458 CD1 LEU A 102 -6.772 -8.413 -3.987 1.00 8.37 C ATOM 1459 CD2 LEU A 102 -8.406 -6.570 -3.563 1.00 8.72 C ATOM 0 H LEU A 102 -4.236 -4.623 -2.577 1.00 1.44 H new ATOM 0 HA LEU A 102 -7.056 -4.756 -1.765 1.00 3.26 H new ATOM 0 HB2 LEU A 102 -5.227 -7.137 -2.290 1.00 5.14 H new ATOM 0 HB3 LEU A 102 -6.780 -7.231 -1.482 1.00 5.14 H new ATOM 0 HG LEU A 102 -6.430 -6.291 -4.343 1.00 6.90 H new ATOM 0 HD11 LEU A 102 -7.259 -8.589 -4.946 1.00 8.37 H new ATOM 0 HD12 LEU A 102 -5.716 -8.670 -4.064 1.00 8.37 H new ATOM 0 HD13 LEU A 102 -7.241 -9.032 -3.222 1.00 8.37 H new ATOM 0 HD21 LEU A 102 -8.853 -6.755 -4.540 1.00 8.72 H new ATOM 0 HD22 LEU A 102 -8.908 -7.181 -2.813 1.00 8.72 H new ATOM 0 HD23 LEU A 102 -8.518 -5.516 -3.307 1.00 8.72 H new ATOM 1471 N GLN A 103 -4.742 -6.112 0.071 1.00 2.12 N ATOM 1472 CA GLN A 103 -4.522 -6.516 1.463 1.00 2.12 C ATOM 1473 C GLN A 103 -3.313 -7.458 1.528 1.00 2.14 C ATOM 1474 O GLN A 103 -2.895 -7.999 0.505 1.00 2.12 O ATOM 1475 CB GLN A 103 -5.752 -7.292 2.011 1.00 2.51 C ATOM 1476 CG GLN A 103 -7.071 -6.540 2.274 1.00 3.13 C ATOM 1477 CD GLN A 103 -8.136 -6.776 1.204 1.00 2.43 C ATOM 1478 OE1 GLN A 103 -8.442 -5.814 0.367 1.00 2.45 O flip ATOM 1479 NE2 GLN A 103 -8.742 -7.833 1.113 1.00 3.21 N flip ATOM 0 H GLN A 103 -4.215 -6.687 -0.586 1.00 2.12 H new ATOM 0 HA GLN A 103 -4.358 -5.617 2.058 1.00 2.12 H new ATOM 0 HB2 GLN A 103 -5.970 -8.096 1.308 1.00 2.51 H new ATOM 0 HB3 GLN A 103 -5.451 -7.760 2.948 1.00 2.51 H new ATOM 0 HG2 GLN A 103 -7.467 -6.847 3.242 1.00 3.13 H new ATOM 0 HG3 GLN A 103 -6.863 -5.472 2.338 1.00 3.13 H new ATOM 0 HE21 GLN A 103 -8.527 -8.601 1.749 1.00 3.21 H new ATOM 0 HE22 GLN A 103 -9.463 -7.948 0.401 1.00 3.21 H new ATOM 1488 N ARG A 104 -2.855 -7.766 2.744 1.00 2.36 N ATOM 1489 CA ARG A 104 -2.112 -8.989 3.084 1.00 2.56 C ATOM 1490 C ARG A 104 -2.694 -10.308 2.521 1.00 2.79 C ATOM 1491 O ARG A 104 -1.998 -11.317 2.552 1.00 3.02 O ATOM 1492 CB ARG A 104 -1.949 -9.094 4.614 1.00 2.85 C ATOM 1493 CG ARG A 104 -3.221 -8.784 5.438 1.00 4.22 C ATOM 1494 CD ARG A 104 -3.475 -9.769 6.593 1.00 4.71 C ATOM 1495 NE ARG A 104 -3.982 -11.069 6.114 1.00 4.82 N ATOM 1496 CZ ARG A 104 -5.134 -11.290 5.495 1.00 5.75 C ATOM 1497 NH1 ARG A 104 -6.095 -10.394 5.432 1.00 6.89 N ATOM 1498 NH2 ARG A 104 -5.323 -12.445 4.906 1.00 6.22 N ATOM 0 H ARG A 104 -2.994 -7.153 3.547 1.00 2.36 H new ATOM 0 HA ARG A 104 -1.147 -8.878 2.590 1.00 2.56 H new ATOM 0 HB2 ARG A 104 -1.614 -10.102 4.859 1.00 2.85 H new ATOM 0 HB3 ARG A 104 -1.159 -8.411 4.926 1.00 2.85 H new ATOM 0 HG2 ARG A 104 -3.141 -7.776 5.845 1.00 4.22 H new ATOM 0 HG3 ARG A 104 -4.084 -8.791 4.772 1.00 4.22 H new ATOM 0 HD2 ARG A 104 -2.549 -9.924 7.147 1.00 4.71 H new ATOM 0 HD3 ARG A 104 -4.193 -9.334 7.288 1.00 4.71 H new ATOM 0 HE ARG A 104 -3.386 -11.881 6.275 1.00 4.82 H new ATOM 0 HH11 ARG A 104 -5.971 -9.482 5.871 1.00 6.89 H new ATOM 0 HH12 ARG A 104 -6.964 -10.611 4.944 1.00 6.89 H new ATOM 0 HH21 ARG A 104 -4.591 -13.155 4.929 1.00 6.22 H new ATOM 0 HH22 ARG A 104 -6.202 -12.634 4.425 1.00 6.22 H new ATOM 1512 N ASP A 105 -3.927 -10.324 2.002 1.00 2.87 N ATOM 1513 CA ASP A 105 -4.486 -11.451 1.238 1.00 3.12 C ATOM 1514 C ASP A 105 -3.786 -11.681 -0.112 1.00 2.87 C ATOM 1515 O ASP A 105 -3.891 -12.786 -0.648 1.00 2.98 O ATOM 1516 CB ASP A 105 -5.987 -11.220 0.997 1.00 3.36 C ATOM 1517 CG ASP A 105 -6.796 -11.191 2.286 1.00 4.23 C ATOM 1518 OD1 ASP A 105 -7.222 -12.259 2.770 1.00 4.80 O ATOM 1519 OD2 ASP A 105 -6.957 -10.087 2.861 1.00 4.91 O ATOM 0 H ASP A 105 -4.576 -9.544 2.101 1.00 2.87 H new ATOM 0 HA ASP A 105 -4.321 -12.345 1.839 1.00 3.12 H new ATOM 0 HB2 ASP A 105 -6.124 -10.278 0.467 1.00 3.36 H new ATOM 0 HB3 ASP A 105 -6.372 -12.009 0.350 1.00 3.36 H new ATOM 1524 N GLY A 106 -3.073 -10.685 -0.672 1.00 2.66 N ATOM 1525 CA GLY A 106 -2.321 -10.874 -1.920 1.00 2.53 C ATOM 1526 C GLY A 106 -1.803 -9.651 -2.687 1.00 2.45 C ATOM 1527 O GLY A 106 -1.143 -9.863 -3.698 1.00 2.68 O ATOM 0 H GLY A 106 -3.004 -9.746 -0.279 1.00 2.66 H new ATOM 0 HA2 GLY A 106 -1.461 -11.503 -1.690 1.00 2.53 H new ATOM 0 HA3 GLY A 106 -2.957 -11.440 -2.601 1.00 2.53 H new ATOM 1531 N ASP A 107 -2.064 -8.405 -2.260 1.00 2.62 N ATOM 1532 CA ASP A 107 -1.695 -7.178 -3.009 1.00 3.15 C ATOM 1533 C ASP A 107 -1.582 -5.962 -2.082 1.00 2.80 C ATOM 1534 O ASP A 107 -2.599 -5.409 -1.659 1.00 2.94 O ATOM 1535 CB ASP A 107 -2.677 -6.980 -4.189 1.00 4.38 C ATOM 1536 CG ASP A 107 -2.512 -5.702 -5.037 1.00 5.71 C ATOM 1537 OD1 ASP A 107 -1.672 -4.837 -4.699 1.00 6.20 O ATOM 1538 OD2 ASP A 107 -3.327 -5.568 -5.984 1.00 6.85 O ATOM 0 H ASP A 107 -2.541 -8.212 -1.379 1.00 2.62 H new ATOM 0 HA ASP A 107 -0.699 -7.294 -3.436 1.00 3.15 H new ATOM 0 HB2 ASP A 107 -2.585 -7.840 -4.853 1.00 4.38 H new ATOM 0 HB3 ASP A 107 -3.691 -6.992 -3.790 1.00 4.38 H new ATOM 1543 N HIS A 108 -0.347 -5.583 -1.709 1.00 2.53 N ATOM 1544 CA HIS A 108 -0.079 -4.647 -0.619 1.00 2.21 C ATOM 1545 C HIS A 108 1.400 -4.195 -0.529 1.00 1.89 C ATOM 1546 O HIS A 108 2.249 -4.572 -1.336 1.00 2.13 O ATOM 1547 CB HIS A 108 -0.534 -5.286 0.714 1.00 2.20 C ATOM 1548 CG HIS A 108 0.384 -6.354 1.263 1.00 2.19 C ATOM 1549 ND1 HIS A 108 1.268 -7.152 0.565 1.00 2.45 N ATOM 1550 CD2 HIS A 108 0.532 -6.660 2.586 1.00 2.90 C ATOM 1551 CE1 HIS A 108 1.941 -7.896 1.461 1.00 2.58 C ATOM 1552 NE2 HIS A 108 1.532 -7.627 2.711 1.00 2.82 N ATOM 0 H HIS A 108 0.498 -5.926 -2.165 1.00 2.53 H new ATOM 0 HA HIS A 108 -0.647 -3.740 -0.826 1.00 2.21 H new ATOM 0 HB2 HIS A 108 -0.635 -4.498 1.460 1.00 2.20 H new ATOM 0 HB3 HIS A 108 -1.524 -5.719 0.571 1.00 2.20 H new ATOM 0 HD1 HIS A 108 1.389 -7.174 -0.448 1.00 2.45 H new ATOM 0 HD2 HIS A 108 -0.030 -6.226 3.400 1.00 2.90 H new ATOM 0 HE1 HIS A 108 2.708 -8.614 1.209 1.00 2.58 H new ATOM 1560 N VAL A 109 1.721 -3.449 0.530 1.00 1.47 N ATOM 1561 CA VAL A 109 3.078 -3.162 1.009 1.00 1.16 C ATOM 1562 C VAL A 109 3.296 -3.716 2.424 1.00 1.17 C ATOM 1563 O VAL A 109 2.356 -4.088 3.129 1.00 1.31 O ATOM 1564 CB VAL A 109 3.379 -1.644 0.977 1.00 1.06 C ATOM 1565 CG1 VAL A 109 3.187 -1.082 -0.441 1.00 1.97 C ATOM 1566 CG2 VAL A 109 2.522 -0.832 1.964 1.00 2.36 C ATOM 0 H VAL A 109 1.006 -3.005 1.107 1.00 1.47 H new ATOM 0 HA VAL A 109 3.771 -3.662 0.332 1.00 1.16 H new ATOM 0 HB VAL A 109 4.419 -1.540 1.286 1.00 1.06 H new ATOM 0 HG11 VAL A 109 3.404 -0.014 -0.441 1.00 1.97 H new ATOM 0 HG12 VAL A 109 3.864 -1.590 -1.128 1.00 1.97 H new ATOM 0 HG13 VAL A 109 2.157 -1.244 -0.760 1.00 1.97 H new ATOM 0 HG21 VAL A 109 2.784 0.224 1.890 1.00 2.36 H new ATOM 0 HG22 VAL A 109 1.467 -0.962 1.722 1.00 2.36 H new ATOM 0 HG23 VAL A 109 2.707 -1.181 2.980 1.00 2.36 H new ATOM 1576 N MET A 110 4.561 -3.743 2.833 1.00 1.23 N ATOM 1577 CA MET A 110 5.074 -4.154 4.135 1.00 1.24 C ATOM 1578 C MET A 110 6.148 -3.155 4.573 1.00 1.11 C ATOM 1579 O MET A 110 6.912 -2.626 3.763 1.00 1.20 O ATOM 1580 CB MET A 110 5.661 -5.578 4.052 1.00 1.34 C ATOM 1581 CG MET A 110 4.692 -6.635 3.504 1.00 2.36 C ATOM 1582 SD MET A 110 5.378 -8.308 3.366 1.00 2.36 S ATOM 1583 CE MET A 110 5.398 -8.785 5.117 1.00 2.80 C ATOM 0 H MET A 110 5.315 -3.454 2.210 1.00 1.23 H new ATOM 0 HA MET A 110 4.266 -4.166 4.866 1.00 1.24 H new ATOM 0 HB2 MET A 110 6.549 -5.555 3.420 1.00 1.34 H new ATOM 0 HB3 MET A 110 5.986 -5.882 5.047 1.00 1.34 H new ATOM 0 HG2 MET A 110 3.815 -6.671 4.150 1.00 2.36 H new ATOM 0 HG3 MET A 110 4.350 -6.317 2.519 1.00 2.36 H new ATOM 0 HE1 MET A 110 6.401 -9.110 5.394 1.00 2.80 H new ATOM 0 HE2 MET A 110 5.111 -7.931 5.730 1.00 2.80 H new ATOM 0 HE3 MET A 110 4.694 -9.601 5.280 1.00 2.80 H new ATOM 1593 N LEU A 111 6.207 -2.867 5.869 1.00 0.97 N ATOM 1594 CA LEU A 111 7.097 -1.861 6.441 1.00 0.85 C ATOM 1595 C LEU A 111 8.271 -2.574 7.124 1.00 0.77 C ATOM 1596 O LEU A 111 8.193 -2.929 8.298 1.00 0.85 O ATOM 1597 CB LEU A 111 6.281 -0.951 7.381 1.00 0.91 C ATOM 1598 CG LEU A 111 5.019 -0.301 6.765 1.00 1.23 C ATOM 1599 CD1 LEU A 111 4.406 0.669 7.785 1.00 2.59 C ATOM 1600 CD2 LEU A 111 5.284 0.459 5.454 1.00 1.77 C ATOM 0 H LEU A 111 5.627 -3.335 6.565 1.00 0.97 H new ATOM 0 HA LEU A 111 7.527 -1.212 5.678 1.00 0.85 H new ATOM 0 HB2 LEU A 111 5.978 -1.537 8.249 1.00 0.91 H new ATOM 0 HB3 LEU A 111 6.934 -0.158 7.744 1.00 0.91 H new ATOM 0 HG LEU A 111 4.339 -1.117 6.522 1.00 1.23 H new ATOM 0 HD11 LEU A 111 3.516 1.131 7.358 1.00 2.59 H new ATOM 0 HD12 LEU A 111 4.134 0.123 8.688 1.00 2.59 H new ATOM 0 HD13 LEU A 111 5.133 1.442 8.034 1.00 2.59 H new ATOM 0 HD21 LEU A 111 4.351 0.885 5.086 1.00 1.77 H new ATOM 0 HD22 LEU A 111 6.002 1.259 5.636 1.00 1.77 H new ATOM 0 HD23 LEU A 111 5.687 -0.228 4.710 1.00 1.77 H new ATOM 1612 N MET A 112 9.333 -2.847 6.360 1.00 0.78 N ATOM 1613 CA MET A 112 10.490 -3.624 6.821 1.00 0.83 C ATOM 1614 C MET A 112 11.524 -2.764 7.579 1.00 0.83 C ATOM 1615 O MET A 112 11.704 -1.565 7.320 1.00 0.97 O ATOM 1616 CB MET A 112 11.098 -4.367 5.617 1.00 1.02 C ATOM 1617 CG MET A 112 12.075 -5.474 6.024 1.00 1.25 C ATOM 1618 SD MET A 112 12.851 -6.308 4.618 1.00 2.05 S ATOM 1619 CE MET A 112 13.940 -7.402 5.558 1.00 2.12 C ATOM 0 H MET A 112 9.415 -2.532 5.393 1.00 0.78 H new ATOM 0 HA MET A 112 10.155 -4.357 7.555 1.00 0.83 H new ATOM 0 HB2 MET A 112 10.294 -4.801 5.022 1.00 1.02 H new ATOM 0 HB3 MET A 112 11.616 -3.650 4.979 1.00 1.02 H new ATOM 0 HG2 MET A 112 12.853 -5.046 6.656 1.00 1.25 H new ATOM 0 HG3 MET A 112 11.545 -6.212 6.626 1.00 1.25 H new ATOM 0 HE1 MET A 112 14.521 -8.016 4.870 1.00 2.12 H new ATOM 0 HE2 MET A 112 14.616 -6.805 6.170 1.00 2.12 H new ATOM 0 HE3 MET A 112 13.341 -8.046 6.202 1.00 2.12 H new ATOM 1629 N GLY A 113 12.209 -3.387 8.547 1.00 1.00 N ATOM 1630 CA GLY A 113 13.246 -2.814 9.417 1.00 1.23 C ATOM 1631 C GLY A 113 12.682 -1.949 10.547 1.00 1.52 C ATOM 1632 O GLY A 113 13.212 -1.975 11.658 1.00 2.91 O ATOM 0 H GLY A 113 12.043 -4.371 8.758 1.00 1.00 H new ATOM 0 HA2 GLY A 113 13.836 -3.623 9.848 1.00 1.23 H new ATOM 0 HA3 GLY A 113 13.925 -2.212 8.813 1.00 1.23 H new ATOM 1636 N LEU A 114 11.612 -1.210 10.236 1.00 1.20 N ATOM 1637 CA LEU A 114 10.861 -0.266 11.074 1.00 1.24 C ATOM 1638 C LEU A 114 11.714 0.760 11.859 1.00 1.56 C ATOM 1639 O LEU A 114 12.922 0.879 11.674 1.00 2.73 O ATOM 1640 CB LEU A 114 9.874 -1.065 11.964 1.00 1.67 C ATOM 1641 CG LEU A 114 8.480 -0.410 12.001 1.00 1.96 C ATOM 1642 CD1 LEU A 114 7.642 -0.777 10.769 1.00 2.90 C ATOM 1643 CD2 LEU A 114 7.728 -0.791 13.284 1.00 2.70 C ATOM 0 H LEU A 114 11.210 -1.262 9.300 1.00 1.20 H new ATOM 0 HA LEU A 114 10.301 0.385 10.403 1.00 1.24 H new ATOM 0 HB2 LEU A 114 9.787 -2.084 11.587 1.00 1.67 H new ATOM 0 HB3 LEU A 114 10.271 -1.133 12.977 1.00 1.67 H new ATOM 0 HG LEU A 114 8.635 0.669 11.991 1.00 1.96 H new ATOM 0 HD11 LEU A 114 6.667 -0.294 10.835 1.00 2.90 H new ATOM 0 HD12 LEU A 114 8.153 -0.440 9.867 1.00 2.90 H new ATOM 0 HD13 LEU A 114 7.510 -1.858 10.728 1.00 2.90 H new ATOM 0 HD21 LEU A 114 6.747 -0.316 13.286 1.00 2.70 H new ATOM 0 HD22 LEU A 114 7.607 -1.873 13.327 1.00 2.70 H new ATOM 0 HD23 LEU A 114 8.295 -0.455 14.152 1.00 2.70 H new ATOM 1655 N LYS A 115 11.068 1.506 12.759 1.00 1.05 N ATOM 1656 CA LYS A 115 11.733 2.447 13.690 1.00 1.50 C ATOM 1657 C LYS A 115 10.888 2.813 14.933 1.00 1.62 C ATOM 1658 O LYS A 115 11.318 2.532 16.051 1.00 2.21 O ATOM 1659 CB LYS A 115 12.267 3.684 12.925 1.00 1.85 C ATOM 1660 CG LYS A 115 11.230 4.533 12.165 1.00 2.23 C ATOM 1661 CD LYS A 115 11.884 5.382 11.064 1.00 2.78 C ATOM 1662 CE LYS A 115 12.197 4.501 9.847 1.00 2.85 C ATOM 1663 NZ LYS A 115 12.979 5.224 8.810 1.00 3.75 N ATOM 0 H LYS A 115 10.054 1.479 12.870 1.00 1.05 H new ATOM 0 HA LYS A 115 12.590 1.920 14.110 1.00 1.50 H new ATOM 0 HB2 LYS A 115 12.777 4.330 13.639 1.00 1.85 H new ATOM 0 HB3 LYS A 115 13.017 3.344 12.210 1.00 1.85 H new ATOM 0 HG2 LYS A 115 10.479 3.879 11.722 1.00 2.23 H new ATOM 0 HG3 LYS A 115 10.710 5.185 12.866 1.00 2.23 H new ATOM 0 HD2 LYS A 115 11.218 6.195 10.775 1.00 2.78 H new ATOM 0 HD3 LYS A 115 12.800 5.839 11.439 1.00 2.78 H new ATOM 0 HE2 LYS A 115 12.754 3.622 10.172 1.00 2.85 H new ATOM 0 HE3 LYS A 115 11.264 4.143 9.411 1.00 2.85 H new ATOM 0 HZ1 LYS A 115 12.723 4.864 7.868 1.00 3.75 H new ATOM 0 HZ2 LYS A 115 12.767 6.241 8.862 1.00 3.75 H new ATOM 0 HZ3 LYS A 115 13.995 5.073 8.973 1.00 3.75 H new ATOM 1677 N ARG A 116 9.678 3.371 14.751 1.00 1.38 N ATOM 1678 CA ARG A 116 8.717 3.603 15.841 1.00 1.58 C ATOM 1679 C ARG A 116 7.582 2.570 15.766 1.00 1.23 C ATOM 1680 O ARG A 116 7.180 2.220 14.650 1.00 1.11 O ATOM 1681 CB ARG A 116 8.166 5.038 15.837 1.00 1.99 C ATOM 1682 CG ARG A 116 9.283 6.085 16.010 1.00 3.27 C ATOM 1683 CD ARG A 116 8.724 7.500 16.206 1.00 3.43 C ATOM 1684 NE ARG A 116 8.383 7.781 17.612 1.00 3.49 N ATOM 1685 CZ ARG A 116 7.604 8.775 18.034 1.00 4.04 C ATOM 1686 NH1 ARG A 116 6.747 9.407 17.266 1.00 4.59 N ATOM 1687 NH2 ARG A 116 7.683 9.175 19.280 1.00 4.73 N ATOM 0 H ARG A 116 9.339 3.675 13.838 1.00 1.38 H new ATOM 0 HA ARG A 116 9.247 3.479 16.786 1.00 1.58 H new ATOM 0 HB2 ARG A 116 7.639 5.221 14.901 1.00 1.99 H new ATOM 0 HB3 ARG A 116 7.437 5.149 16.640 1.00 1.99 H new ATOM 0 HG2 ARG A 116 9.900 5.818 16.868 1.00 3.27 H new ATOM 0 HG3 ARG A 116 9.932 6.070 15.134 1.00 3.27 H new ATOM 0 HD2 ARG A 116 9.458 8.228 15.861 1.00 3.43 H new ATOM 0 HD3 ARG A 116 7.835 7.625 15.588 1.00 3.43 H new ATOM 0 HE ARG A 116 8.777 7.162 18.321 1.00 3.49 H new ATOM 0 HH11 ARG A 116 6.650 9.144 16.285 1.00 4.59 H new ATOM 0 HH12 ARG A 116 6.178 10.161 17.650 1.00 4.59 H new ATOM 0 HH21 ARG A 116 8.338 8.725 19.919 1.00 4.73 H new ATOM 0 HH22 ARG A 116 7.089 9.936 19.610 1.00 4.73 H new ATOM 1701 N PRO A 117 7.101 2.045 16.911 1.00 1.44 N ATOM 1702 CA PRO A 117 6.037 1.042 16.933 1.00 1.45 C ATOM 1703 C PRO A 117 4.698 1.661 16.528 1.00 1.30 C ATOM 1704 O PRO A 117 4.526 2.876 16.595 1.00 1.59 O ATOM 1705 CB PRO A 117 6.003 0.519 18.371 1.00 2.03 C ATOM 1706 CG PRO A 117 6.488 1.712 19.188 1.00 2.31 C ATOM 1707 CD PRO A 117 7.520 2.374 18.273 1.00 2.01 C ATOM 0 HA PRO A 117 6.220 0.236 16.223 1.00 1.45 H new ATOM 0 HB2 PRO A 117 4.999 0.212 18.664 1.00 2.03 H new ATOM 0 HB3 PRO A 117 6.652 -0.347 18.500 1.00 2.03 H new ATOM 0 HG2 PRO A 117 5.671 2.392 19.430 1.00 2.31 H new ATOM 0 HG3 PRO A 117 6.932 1.398 20.133 1.00 2.31 H new ATOM 0 HD2 PRO A 117 7.546 3.453 18.426 1.00 2.01 H new ATOM 0 HD3 PRO A 117 8.523 1.999 18.477 1.00 2.01 H new ATOM 1715 N LEU A 118 3.748 0.817 16.117 1.00 1.31 N ATOM 1716 CA LEU A 118 2.422 1.232 15.635 1.00 1.39 C ATOM 1717 C LEU A 118 1.325 0.782 16.608 1.00 1.18 C ATOM 1718 O LEU A 118 1.523 -0.181 17.348 1.00 1.57 O ATOM 1719 CB LEU A 118 2.179 0.636 14.235 1.00 2.06 C ATOM 1720 CG LEU A 118 3.308 0.829 13.200 1.00 2.49 C ATOM 1721 CD1 LEU A 118 2.880 0.165 11.886 1.00 3.20 C ATOM 1722 CD2 LEU A 118 3.651 2.308 12.977 1.00 2.59 C ATOM 0 H LEU A 118 3.879 -0.195 16.109 1.00 1.31 H new ATOM 0 HA LEU A 118 2.390 2.320 15.574 1.00 1.39 H new ATOM 0 HB2 LEU A 118 1.997 -0.433 14.346 1.00 2.06 H new ATOM 0 HB3 LEU A 118 1.267 1.075 13.831 1.00 2.06 H new ATOM 0 HG LEU A 118 4.215 0.361 13.583 1.00 2.49 H new ATOM 0 HD11 LEU A 118 3.666 0.291 11.142 1.00 3.20 H new ATOM 0 HD12 LEU A 118 2.707 -0.898 12.055 1.00 3.20 H new ATOM 0 HD13 LEU A 118 1.962 0.629 11.526 1.00 3.20 H new ATOM 0 HD21 LEU A 118 4.450 2.389 12.241 1.00 2.59 H new ATOM 0 HD22 LEU A 118 2.769 2.835 12.614 1.00 2.59 H new ATOM 0 HD23 LEU A 118 3.978 2.752 13.918 1.00 2.59 H new ATOM 1734 N LYS A 119 0.151 1.423 16.611 1.00 1.19 N ATOM 1735 CA LYS A 119 -0.942 1.134 17.564 1.00 1.09 C ATOM 1736 C LYS A 119 -2.331 1.347 16.914 1.00 0.89 C ATOM 1737 O LYS A 119 -2.446 2.183 16.031 1.00 0.96 O ATOM 1738 CB LYS A 119 -0.726 1.992 18.836 1.00 1.61 C ATOM 1739 CG LYS A 119 -1.235 1.339 20.137 1.00 2.23 C ATOM 1740 CD LYS A 119 -0.994 2.269 21.342 1.00 2.56 C ATOM 1741 CE LYS A 119 -1.460 1.670 22.681 1.00 3.76 C ATOM 1742 NZ LYS A 119 -0.387 0.953 23.417 1.00 4.78 N ATOM 0 H LYS A 119 -0.076 2.165 15.949 1.00 1.19 H new ATOM 0 HA LYS A 119 -0.920 0.083 17.852 1.00 1.09 H new ATOM 0 HB2 LYS A 119 0.338 2.203 18.941 1.00 1.61 H new ATOM 0 HB3 LYS A 119 -1.229 2.950 18.703 1.00 1.61 H new ATOM 0 HG2 LYS A 119 -2.299 1.119 20.048 1.00 2.23 H new ATOM 0 HG3 LYS A 119 -0.725 0.389 20.297 1.00 2.23 H new ATOM 0 HD2 LYS A 119 0.069 2.499 21.406 1.00 2.56 H new ATOM 0 HD3 LYS A 119 -1.515 3.212 21.174 1.00 2.56 H new ATOM 0 HE2 LYS A 119 -1.850 2.469 23.311 1.00 3.76 H new ATOM 0 HE3 LYS A 119 -2.284 0.981 22.494 1.00 3.76 H new ATOM 0 HZ1 LYS A 119 -0.769 0.576 24.308 1.00 4.78 H new ATOM 0 HZ2 LYS A 119 -0.030 0.169 22.834 1.00 4.78 H new ATOM 0 HZ3 LYS A 119 0.391 1.611 23.625 1.00 4.78 H new ATOM 1756 N VAL A 120 -3.355 0.591 17.336 1.00 1.08 N ATOM 1757 CA VAL A 120 -4.666 0.248 16.690 1.00 1.21 C ATOM 1758 C VAL A 120 -5.483 1.290 15.879 1.00 1.22 C ATOM 1759 O VAL A 120 -6.466 0.907 15.240 1.00 1.75 O ATOM 1760 CB VAL A 120 -5.624 -0.375 17.741 1.00 1.64 C ATOM 1761 CG1 VAL A 120 -5.005 -1.645 18.349 1.00 2.13 C ATOM 1762 CG2 VAL A 120 -5.991 0.616 18.861 1.00 3.70 C ATOM 0 H VAL A 120 -3.293 0.142 18.250 1.00 1.08 H new ATOM 0 HA VAL A 120 -4.305 -0.419 15.907 1.00 1.21 H new ATOM 0 HB VAL A 120 -6.544 -0.633 17.216 1.00 1.64 H new ATOM 0 HG11 VAL A 120 -5.690 -2.068 19.083 1.00 2.13 H new ATOM 0 HG12 VAL A 120 -4.823 -2.375 17.560 1.00 2.13 H new ATOM 0 HG13 VAL A 120 -4.062 -1.394 18.835 1.00 2.13 H new ATOM 0 HG21 VAL A 120 -6.663 0.132 19.570 1.00 3.70 H new ATOM 0 HG22 VAL A 120 -5.085 0.933 19.378 1.00 3.70 H new ATOM 0 HG23 VAL A 120 -6.486 1.486 18.429 1.00 3.70 H new ATOM 1772 N GLY A 121 -5.105 2.575 15.892 1.00 1.23 N ATOM 1773 CA GLY A 121 -5.757 3.716 15.236 1.00 1.56 C ATOM 1774 C GLY A 121 -4.796 4.789 14.676 1.00 1.71 C ATOM 1775 O GLY A 121 -5.228 5.933 14.528 1.00 1.98 O ATOM 0 H GLY A 121 -4.270 2.866 16.401 1.00 1.23 H new ATOM 0 HA2 GLY A 121 -6.374 3.341 14.419 1.00 1.56 H new ATOM 0 HA3 GLY A 121 -6.429 4.190 15.951 1.00 1.56 H new ATOM 1779 N GLU A 122 -3.526 4.451 14.406 1.00 1.66 N ATOM 1780 CA GLU A 122 -2.439 5.367 14.059 1.00 1.82 C ATOM 1781 C GLU A 122 -1.402 4.653 13.167 1.00 2.55 C ATOM 1782 O GLU A 122 -1.249 3.440 13.297 1.00 3.05 O ATOM 1783 CB GLU A 122 -1.817 5.833 15.390 1.00 1.32 C ATOM 1784 CG GLU A 122 -0.540 6.638 15.149 1.00 1.55 C ATOM 1785 CD GLU A 122 -0.105 7.415 16.382 1.00 1.96 C ATOM 1786 OE1 GLU A 122 -0.227 6.857 17.496 1.00 1.79 O ATOM 1787 OE2 GLU A 122 0.334 8.581 16.211 1.00 3.66 O ATOM 0 H GLU A 122 -3.218 3.479 14.426 1.00 1.66 H new ATOM 0 HA GLU A 122 -2.801 6.223 13.490 1.00 1.82 H new ATOM 0 HB2 GLU A 122 -2.536 6.442 15.938 1.00 1.32 H new ATOM 0 HB3 GLU A 122 -1.593 4.967 16.013 1.00 1.32 H new ATOM 0 HG2 GLU A 122 0.261 5.963 14.847 1.00 1.55 H new ATOM 0 HG3 GLU A 122 -0.701 7.331 14.324 1.00 1.55 H new ATOM 1794 N THR A 123 -0.683 5.370 12.287 1.00 3.31 N ATOM 1795 CA THR A 123 0.632 4.949 11.761 1.00 4.52 C ATOM 1796 C THR A 123 1.555 6.138 11.654 1.00 3.30 C ATOM 1797 O THR A 123 2.471 6.287 12.454 1.00 3.41 O ATOM 1798 CB THR A 123 0.611 4.170 10.429 1.00 6.70 C ATOM 1799 OG1 THR A 123 -0.242 3.074 10.530 1.00 7.80 O ATOM 1800 CG2 THR A 123 1.992 3.624 10.039 1.00 8.70 C ATOM 0 H THR A 123 -0.999 6.266 11.916 1.00 3.31 H new ATOM 0 HA THR A 123 1.001 4.230 12.492 1.00 4.52 H new ATOM 0 HB THR A 123 0.277 4.879 9.671 1.00 6.70 H new ATOM 0 HG1 THR A 123 0.285 2.248 10.529 1.00 7.80 H new ATOM 0 HG21 THR A 123 1.917 3.085 9.094 1.00 8.70 H new ATOM 0 HG22 THR A 123 2.693 4.452 9.930 1.00 8.70 H new ATOM 0 HG23 THR A 123 2.348 2.947 10.815 1.00 8.70 H new ATOM 1808 N VAL A 124 1.320 6.932 10.621 1.00 2.36 N ATOM 1809 CA VAL A 124 2.271 7.899 10.039 1.00 1.95 C ATOM 1810 C VAL A 124 1.663 8.661 8.851 1.00 1.23 C ATOM 1811 O VAL A 124 0.533 8.395 8.453 1.00 1.07 O ATOM 1812 CB VAL A 124 3.613 7.205 9.662 1.00 3.24 C ATOM 1813 CG1 VAL A 124 3.584 6.490 8.295 1.00 3.54 C ATOM 1814 CG2 VAL A 124 4.803 8.168 9.739 1.00 4.98 C ATOM 0 H VAL A 124 0.423 6.929 10.135 1.00 2.36 H new ATOM 0 HA VAL A 124 2.490 8.644 10.804 1.00 1.95 H new ATOM 0 HB VAL A 124 3.745 6.429 10.416 1.00 3.24 H new ATOM 0 HG11 VAL A 124 4.554 6.031 8.104 1.00 3.54 H new ATOM 0 HG12 VAL A 124 2.814 5.719 8.304 1.00 3.54 H new ATOM 0 HG13 VAL A 124 3.364 7.214 7.510 1.00 3.54 H new ATOM 0 HG21 VAL A 124 5.717 7.639 9.468 1.00 4.98 H new ATOM 0 HG22 VAL A 124 4.645 8.997 9.050 1.00 4.98 H new ATOM 0 HG23 VAL A 124 4.894 8.553 10.755 1.00 4.98 H new ATOM 1824 N ASN A 125 2.416 9.584 8.247 1.00 1.36 N ATOM 1825 CA ASN A 125 2.045 10.293 7.020 1.00 1.33 C ATOM 1826 C ASN A 125 2.599 9.566 5.764 1.00 1.46 C ATOM 1827 O ASN A 125 3.800 9.573 5.496 1.00 2.34 O ATOM 1828 CB ASN A 125 2.545 11.744 7.140 1.00 2.10 C ATOM 1829 CG ASN A 125 1.675 12.602 8.063 1.00 2.53 C ATOM 1830 OD1 ASN A 125 1.124 13.610 7.638 1.00 4.00 O ATOM 1831 ND2 ASN A 125 1.478 12.261 9.330 1.00 1.86 N ATOM 0 H ASN A 125 3.327 9.867 8.609 1.00 1.36 H new ATOM 0 HA ASN A 125 0.962 10.304 6.896 1.00 1.33 H new ATOM 0 HB2 ASN A 125 3.569 11.740 7.515 1.00 2.10 H new ATOM 0 HB3 ASN A 125 2.570 12.197 6.149 1.00 2.10 H new ATOM 0 HD21 ASN A 125 0.879 12.834 9.925 1.00 1.86 H new ATOM 0 HD22 ASN A 125 1.925 11.426 9.709 1.00 1.86 H new ATOM 1838 N ILE A 126 1.718 8.935 4.972 1.00 0.95 N ATOM 1839 CA ILE A 126 2.033 8.297 3.673 1.00 0.99 C ATOM 1840 C ILE A 126 2.191 9.340 2.552 1.00 1.10 C ATOM 1841 O ILE A 126 1.532 10.389 2.528 1.00 1.15 O ATOM 1842 CB ILE A 126 0.955 7.229 3.331 1.00 0.96 C ATOM 1843 CG1 ILE A 126 1.200 5.905 4.098 1.00 1.31 C ATOM 1844 CG2 ILE A 126 0.767 6.934 1.828 1.00 1.52 C ATOM 1845 CD1 ILE A 126 2.335 5.001 3.605 1.00 2.00 C ATOM 0 H ILE A 126 0.733 8.849 5.222 1.00 0.95 H new ATOM 0 HA ILE A 126 2.995 7.792 3.758 1.00 0.99 H new ATOM 0 HB ILE A 126 0.023 7.688 3.662 1.00 0.96 H new ATOM 0 HG12 ILE A 126 1.396 6.152 5.141 1.00 1.31 H new ATOM 0 HG13 ILE A 126 0.276 5.327 4.075 1.00 1.31 H new ATOM 0 HG21 ILE A 126 -0.006 6.177 1.700 1.00 1.52 H new ATOM 0 HG22 ILE A 126 0.470 7.847 1.312 1.00 1.52 H new ATOM 0 HG23 ILE A 126 1.705 6.570 1.409 1.00 1.52 H new ATOM 0 HD11 ILE A 126 2.391 4.112 4.233 1.00 2.00 H new ATOM 0 HD12 ILE A 126 2.142 4.705 2.574 1.00 2.00 H new ATOM 0 HD13 ILE A 126 3.280 5.542 3.656 1.00 2.00 H new ATOM 1857 N THR A 127 3.092 9.012 1.624 1.00 1.18 N ATOM 1858 CA THR A 127 3.573 9.831 0.510 1.00 1.24 C ATOM 1859 C THR A 127 3.425 9.006 -0.765 1.00 1.15 C ATOM 1860 O THR A 127 4.153 8.038 -0.984 1.00 1.44 O ATOM 1861 CB THR A 127 5.053 10.227 0.727 1.00 1.49 C ATOM 1862 OG1 THR A 127 5.569 9.778 1.967 1.00 1.48 O ATOM 1863 CG2 THR A 127 5.168 11.751 0.742 1.00 2.32 C ATOM 0 H THR A 127 3.539 8.095 1.633 1.00 1.18 H new ATOM 0 HA THR A 127 2.994 10.752 0.438 1.00 1.24 H new ATOM 0 HB THR A 127 5.616 9.765 -0.084 1.00 1.49 H new ATOM 0 HG1 THR A 127 6.506 10.054 2.051 1.00 1.48 H new ATOM 0 HG21 THR A 127 6.209 12.036 0.895 1.00 2.32 H new ATOM 0 HG22 THR A 127 4.818 12.152 -0.209 1.00 2.32 H new ATOM 0 HG23 THR A 127 4.559 12.154 1.551 1.00 2.32 H new ATOM 1871 N LEU A 128 2.448 9.359 -1.593 1.00 0.94 N ATOM 1872 CA LEU A 128 2.271 8.820 -2.940 1.00 1.07 C ATOM 1873 C LEU A 128 3.021 9.702 -3.947 1.00 1.33 C ATOM 1874 O LEU A 128 3.584 10.732 -3.587 1.00 2.20 O ATOM 1875 CB LEU A 128 0.770 8.706 -3.290 1.00 1.39 C ATOM 1876 CG LEU A 128 -0.097 7.938 -2.266 1.00 1.26 C ATOM 1877 CD1 LEU A 128 -0.780 8.888 -1.269 1.00 2.27 C ATOM 1878 CD2 LEU A 128 -1.179 7.121 -2.988 1.00 2.07 C ATOM 0 H LEU A 128 1.737 10.046 -1.341 1.00 0.94 H new ATOM 0 HA LEU A 128 2.689 7.814 -2.985 1.00 1.07 H new ATOM 0 HB2 LEU A 128 0.364 9.711 -3.402 1.00 1.39 H new ATOM 0 HB3 LEU A 128 0.677 8.215 -4.259 1.00 1.39 H new ATOM 0 HG LEU A 128 0.571 7.275 -1.716 1.00 1.26 H new ATOM 0 HD11 LEU A 128 -1.380 8.309 -0.567 1.00 2.27 H new ATOM 0 HD12 LEU A 128 -0.022 9.448 -0.722 1.00 2.27 H new ATOM 0 HD13 LEU A 128 -1.424 9.581 -1.810 1.00 2.27 H new ATOM 0 HD21 LEU A 128 -1.781 6.586 -2.254 1.00 2.07 H new ATOM 0 HD22 LEU A 128 -1.818 7.791 -3.563 1.00 2.07 H new ATOM 0 HD23 LEU A 128 -0.706 6.405 -3.661 1.00 2.07 H new ATOM 1890 N LYS A 129 2.962 9.361 -5.238 1.00 1.14 N ATOM 1891 CA LYS A 129 3.400 10.241 -6.333 1.00 1.31 C ATOM 1892 C LYS A 129 2.664 9.950 -7.655 1.00 1.33 C ATOM 1893 O LYS A 129 2.519 8.796 -8.082 1.00 1.36 O ATOM 1894 CB LYS A 129 4.944 10.204 -6.469 1.00 1.62 C ATOM 1895 CG LYS A 129 5.440 10.926 -7.739 1.00 2.65 C ATOM 1896 CD LYS A 129 6.721 11.751 -7.637 1.00 3.11 C ATOM 1897 CE LYS A 129 7.976 11.047 -7.122 1.00 2.90 C ATOM 1898 NZ LYS A 129 9.146 11.956 -7.244 1.00 3.64 N ATOM 0 H LYS A 129 2.607 8.460 -5.558 1.00 1.14 H new ATOM 0 HA LYS A 129 3.122 11.264 -6.079 1.00 1.31 H new ATOM 0 HB2 LYS A 129 5.395 10.668 -5.591 1.00 1.62 H new ATOM 0 HB3 LYS A 129 5.279 9.167 -6.489 1.00 1.62 H new ATOM 0 HG2 LYS A 129 5.587 10.175 -8.515 1.00 2.65 H new ATOM 0 HG3 LYS A 129 4.643 11.586 -8.081 1.00 2.65 H new ATOM 0 HD2 LYS A 129 6.942 12.152 -8.626 1.00 3.11 H new ATOM 0 HD3 LYS A 129 6.522 12.602 -6.986 1.00 3.11 H new ATOM 0 HE2 LYS A 129 7.839 10.753 -6.081 1.00 2.90 H new ATOM 0 HE3 LYS A 129 8.152 10.134 -7.691 1.00 2.90 H new ATOM 0 HZ1 LYS A 129 9.998 11.474 -6.893 1.00 3.64 H new ATOM 0 HZ2 LYS A 129 9.281 12.215 -8.242 1.00 3.64 H new ATOM 0 HZ3 LYS A 129 8.978 12.815 -6.683 1.00 3.64 H new ATOM 1912 N ALA A 130 2.239 11.013 -8.352 1.00 1.56 N ATOM 1913 CA ALA A 130 1.885 10.984 -9.775 1.00 1.73 C ATOM 1914 C ALA A 130 3.170 10.915 -10.629 1.00 1.80 C ATOM 1915 O ALA A 130 4.050 11.752 -10.448 1.00 2.12 O ATOM 1916 CB ALA A 130 1.059 12.240 -10.082 1.00 2.02 C ATOM 0 H ALA A 130 2.130 11.936 -7.932 1.00 1.56 H new ATOM 0 HA ALA A 130 1.291 10.103 -10.016 1.00 1.73 H new ATOM 0 HB1 ALA A 130 0.781 12.244 -11.136 1.00 2.02 H new ATOM 0 HB2 ALA A 130 0.157 12.241 -9.469 1.00 2.02 H new ATOM 0 HB3 ALA A 130 1.650 13.128 -9.859 1.00 2.02 H new ATOM 1922 N THR A 131 3.282 9.917 -11.523 1.00 1.70 N ATOM 1923 CA THR A 131 4.558 9.445 -12.122 1.00 1.94 C ATOM 1924 C THR A 131 5.333 10.487 -12.932 1.00 2.30 C ATOM 1925 O THR A 131 6.558 10.429 -12.967 1.00 2.81 O ATOM 1926 CB THR A 131 4.311 8.163 -12.940 1.00 2.12 C ATOM 1927 OG1 THR A 131 5.554 7.550 -13.162 1.00 2.96 O ATOM 1928 CG2 THR A 131 3.679 8.404 -14.309 1.00 2.62 C ATOM 0 H THR A 131 2.472 9.399 -11.862 1.00 1.70 H new ATOM 0 HA THR A 131 5.215 9.232 -11.279 1.00 1.94 H new ATOM 0 HB THR A 131 3.615 7.554 -12.363 1.00 2.12 H new ATOM 0 HG1 THR A 131 5.426 6.728 -13.681 1.00 2.96 H new ATOM 0 HG21 THR A 131 3.539 7.450 -14.818 1.00 2.62 H new ATOM 0 HG22 THR A 131 2.713 8.893 -14.183 1.00 2.62 H new ATOM 0 HG23 THR A 131 4.333 9.041 -14.905 1.00 2.62 H new ATOM 1936 N ASP A 132 4.619 11.431 -13.544 1.00 2.32 N ATOM 1937 CA ASP A 132 5.151 12.583 -14.286 1.00 2.84 C ATOM 1938 C ASP A 132 4.727 13.912 -13.627 1.00 3.21 C ATOM 1939 O ASP A 132 4.868 14.983 -14.215 1.00 4.20 O ATOM 1940 CB ASP A 132 4.633 12.544 -15.735 1.00 3.03 C ATOM 1941 CG ASP A 132 5.039 11.301 -16.521 1.00 3.32 C ATOM 1942 OD1 ASP A 132 6.244 11.076 -16.750 1.00 4.10 O ATOM 1943 OD2 ASP A 132 4.154 10.519 -16.937 1.00 3.80 O ATOM 0 H ASP A 132 3.599 11.416 -13.538 1.00 2.32 H new ATOM 0 HA ASP A 132 6.239 12.524 -14.275 1.00 2.84 H new ATOM 0 HB2 ASP A 132 3.545 12.609 -15.720 1.00 3.03 H new ATOM 0 HB3 ASP A 132 4.998 13.426 -16.261 1.00 3.03 H new ATOM 1948 N GLY A 133 4.125 13.868 -12.427 1.00 2.76 N ATOM 1949 CA GLY A 133 3.253 14.936 -11.897 1.00 3.15 C ATOM 1950 C GLY A 133 3.755 15.665 -10.643 1.00 3.23 C ATOM 1951 O GLY A 133 3.982 16.875 -10.729 1.00 4.22 O ATOM 0 H GLY A 133 4.230 13.080 -11.787 1.00 2.76 H new ATOM 0 HA2 GLY A 133 3.100 15.675 -12.684 1.00 3.15 H new ATOM 0 HA3 GLY A 133 2.278 14.502 -11.673 1.00 3.15 H new ATOM 1955 N ARG A 134 3.833 14.945 -9.507 1.00 2.80 N ATOM 1956 CA ARG A 134 4.136 15.444 -8.142 1.00 3.05 C ATOM 1957 C ARG A 134 3.847 14.398 -7.056 1.00 2.96 C ATOM 1958 O ARG A 134 2.917 13.591 -7.173 1.00 3.35 O ATOM 1959 CB ARG A 134 3.397 16.763 -7.793 1.00 3.56 C ATOM 1960 CG ARG A 134 4.301 18.004 -7.729 1.00 4.93 C ATOM 1961 CD ARG A 134 5.229 18.039 -6.512 1.00 5.93 C ATOM 1962 NE ARG A 134 6.000 19.294 -6.500 1.00 7.18 N ATOM 1963 CZ ARG A 134 7.318 19.450 -6.513 1.00 8.40 C ATOM 1964 NH1 ARG A 134 8.173 18.449 -6.495 1.00 8.92 N ATOM 1965 NH2 ARG A 134 7.787 20.675 -6.555 1.00 9.51 N ATOM 0 H ARG A 134 3.677 13.937 -9.513 1.00 2.80 H new ATOM 0 HA ARG A 134 5.206 15.650 -8.158 1.00 3.05 H new ATOM 0 HB2 ARG A 134 2.618 16.935 -8.535 1.00 3.56 H new ATOM 0 HB3 ARG A 134 2.899 16.642 -6.831 1.00 3.56 H new ATOM 0 HG2 ARG A 134 4.906 18.047 -8.635 1.00 4.93 H new ATOM 0 HG3 ARG A 134 3.675 18.896 -7.721 1.00 4.93 H new ATOM 0 HD2 ARG A 134 4.644 17.954 -5.596 1.00 5.93 H new ATOM 0 HD3 ARG A 134 5.908 17.186 -6.538 1.00 5.93 H new ATOM 0 HE ARG A 134 5.451 20.153 -6.479 1.00 7.18 H new ATOM 0 HH11 ARG A 134 7.832 17.488 -6.470 1.00 8.92 H new ATOM 0 HH12 ARG A 134 9.176 18.635 -6.507 1.00 8.92 H new ATOM 0 HH21 ARG A 134 7.144 21.467 -6.576 1.00 9.51 H new ATOM 0 HH22 ARG A 134 8.794 20.835 -6.566 1.00 9.51 H new ATOM 1979 N THR A 135 4.639 14.432 -5.979 1.00 3.37 N ATOM 1980 CA THR A 135 4.429 13.716 -4.701 1.00 3.39 C ATOM 1981 C THR A 135 3.151 14.192 -4.008 1.00 2.06 C ATOM 1982 O THR A 135 2.745 15.343 -4.156 1.00 2.89 O ATOM 1983 CB THR A 135 5.633 13.961 -3.788 1.00 5.24 C ATOM 1984 OG1 THR A 135 6.764 13.354 -4.369 1.00 6.57 O ATOM 1985 CG2 THR A 135 5.545 13.380 -2.379 1.00 5.86 C ATOM 0 H THR A 135 5.493 14.989 -5.968 1.00 3.37 H new ATOM 0 HA THR A 135 4.325 12.651 -4.908 1.00 3.39 H new ATOM 0 HB THR A 135 5.679 15.046 -3.692 1.00 5.24 H new ATOM 0 HG1 THR A 135 7.546 13.503 -3.797 1.00 6.57 H new ATOM 0 HG21 THR A 135 6.455 13.619 -1.829 1.00 5.86 H new ATOM 0 HG22 THR A 135 4.686 13.808 -1.862 1.00 5.86 H new ATOM 0 HG23 THR A 135 5.430 12.298 -2.438 1.00 5.86 H new ATOM 1993 N LEU A 136 2.530 13.292 -3.246 1.00 1.32 N ATOM 1994 CA LEU A 136 1.193 13.447 -2.667 1.00 2.13 C ATOM 1995 C LEU A 136 1.119 13.024 -1.198 1.00 1.79 C ATOM 1996 O LEU A 136 1.468 11.906 -0.848 1.00 1.23 O ATOM 1997 CB LEU A 136 0.172 12.672 -3.533 1.00 3.81 C ATOM 1998 CG LEU A 136 -0.931 13.572 -4.119 1.00 4.89 C ATOM 1999 CD1 LEU A 136 -0.447 14.343 -5.354 1.00 5.85 C ATOM 2000 CD2 LEU A 136 -2.146 12.717 -4.507 1.00 5.84 C ATOM 0 H LEU A 136 2.960 12.399 -3.005 1.00 1.32 H new ATOM 0 HA LEU A 136 0.948 14.509 -2.673 1.00 2.13 H new ATOM 0 HB2 LEU A 136 0.699 12.176 -4.348 1.00 3.81 H new ATOM 0 HB3 LEU A 136 -0.288 11.890 -2.929 1.00 3.81 H new ATOM 0 HG LEU A 136 -1.204 14.296 -3.352 1.00 4.89 H new ATOM 0 HD11 LEU A 136 -1.257 14.965 -5.735 1.00 5.85 H new ATOM 0 HD12 LEU A 136 0.398 14.975 -5.080 1.00 5.85 H new ATOM 0 HD13 LEU A 136 -0.138 13.638 -6.125 1.00 5.85 H new ATOM 0 HD21 LEU A 136 -2.924 13.358 -4.921 1.00 5.84 H new ATOM 0 HD22 LEU A 136 -1.849 11.979 -5.252 1.00 5.84 H new ATOM 0 HD23 LEU A 136 -2.529 12.206 -3.623 1.00 5.84 H new ATOM 2012 N ASN A 137 0.631 13.912 -0.339 1.00 2.42 N ATOM 2013 CA ASN A 137 0.578 13.798 1.110 1.00 2.29 C ATOM 2014 C ASN A 137 -0.792 13.261 1.560 1.00 2.16 C ATOM 2015 O ASN A 137 -1.856 13.806 1.253 1.00 2.75 O ATOM 2016 CB ASN A 137 0.928 15.164 1.754 1.00 2.75 C ATOM 2017 CG ASN A 137 0.254 16.400 1.139 1.00 4.04 C ATOM 2018 OD1 ASN A 137 -0.674 16.322 0.349 1.00 5.48 O ATOM 2019 ND2 ASN A 137 0.740 17.582 1.449 1.00 4.16 N ATOM 0 H ASN A 137 0.234 14.794 -0.663 1.00 2.42 H new ATOM 0 HA ASN A 137 1.320 13.076 1.451 1.00 2.29 H new ATOM 0 HB2 ASN A 137 0.665 15.121 2.811 1.00 2.75 H new ATOM 0 HB3 ASN A 137 2.008 15.301 1.700 1.00 2.75 H new ATOM 0 HD21 ASN A 137 0.342 18.423 1.031 1.00 4.16 H new ATOM 0 HD22 ASN A 137 1.515 17.658 2.108 1.00 4.16 H new ATOM 2026 N VAL A 138 -0.735 12.170 2.319 1.00 1.57 N ATOM 2027 CA VAL A 138 -1.901 11.440 2.860 1.00 1.52 C ATOM 2028 C VAL A 138 -1.639 10.958 4.299 1.00 1.13 C ATOM 2029 O VAL A 138 -0.568 10.437 4.592 1.00 1.04 O ATOM 2030 CB VAL A 138 -2.251 10.262 1.910 1.00 1.74 C ATOM 2031 CG1 VAL A 138 -3.121 9.164 2.541 1.00 2.04 C ATOM 2032 CG2 VAL A 138 -2.974 10.778 0.651 1.00 2.38 C ATOM 0 H VAL A 138 0.152 11.746 2.590 1.00 1.57 H new ATOM 0 HA VAL A 138 -2.757 12.114 2.910 1.00 1.52 H new ATOM 0 HB VAL A 138 -1.289 9.812 1.666 1.00 1.74 H new ATOM 0 HG11 VAL A 138 -3.314 8.384 1.804 1.00 2.04 H new ATOM 0 HG12 VAL A 138 -2.600 8.734 3.397 1.00 2.04 H new ATOM 0 HG13 VAL A 138 -4.067 9.594 2.871 1.00 2.04 H new ATOM 0 HG21 VAL A 138 -3.211 9.938 -0.002 1.00 2.38 H new ATOM 0 HG22 VAL A 138 -3.895 11.283 0.942 1.00 2.38 H new ATOM 0 HG23 VAL A 138 -2.328 11.478 0.122 1.00 2.38 H new ATOM 2042 N ALA A 139 -2.611 11.100 5.211 1.00 1.27 N ATOM 2043 CA ALA A 139 -2.546 10.488 6.550 1.00 1.25 C ATOM 2044 C ALA A 139 -2.798 8.971 6.472 1.00 1.31 C ATOM 2045 O ALA A 139 -3.560 8.523 5.620 1.00 1.49 O ATOM 2046 CB ALA A 139 -3.549 11.180 7.478 1.00 1.77 C ATOM 0 H ALA A 139 -3.461 11.639 5.045 1.00 1.27 H new ATOM 0 HA ALA A 139 -1.545 10.625 6.960 1.00 1.25 H new ATOM 0 HB1 ALA A 139 -3.501 10.727 8.468 1.00 1.77 H new ATOM 0 HB2 ALA A 139 -3.305 12.240 7.551 1.00 1.77 H new ATOM 0 HB3 ALA A 139 -4.556 11.066 7.076 1.00 1.77 H new ATOM 2052 N ALA A 140 -2.177 8.172 7.338 1.00 1.38 N ATOM 2053 CA ALA A 140 -2.197 6.711 7.239 1.00 1.40 C ATOM 2054 C ALA A 140 -2.094 6.030 8.604 1.00 1.61 C ATOM 2055 O ALA A 140 -1.423 6.521 9.525 1.00 1.96 O ATOM 2056 CB ALA A 140 -1.056 6.281 6.323 1.00 1.30 C ATOM 0 H ALA A 140 -1.642 8.521 8.133 1.00 1.38 H new ATOM 0 HA ALA A 140 -3.155 6.399 6.823 1.00 1.40 H new ATOM 0 HB1 ALA A 140 -1.051 5.195 6.234 1.00 1.30 H new ATOM 0 HB2 ALA A 140 -1.194 6.725 5.337 1.00 1.30 H new ATOM 0 HB3 ALA A 140 -0.107 6.615 6.742 1.00 1.30 H new ATOM 2062 N THR A 141 -2.763 4.882 8.714 1.00 1.50 N ATOM 2063 CA THR A 141 -3.360 4.470 9.982 1.00 1.39 C ATOM 2064 C THR A 141 -3.321 2.959 10.120 1.00 1.03 C ATOM 2065 O THR A 141 -3.759 2.248 9.226 1.00 0.98 O ATOM 2066 CB THR A 141 -4.831 4.950 10.023 1.00 1.51 C ATOM 2067 OG1 THR A 141 -5.049 6.142 9.299 1.00 1.79 O ATOM 2068 CG2 THR A 141 -5.234 5.283 11.444 1.00 1.79 C ATOM 0 H THR A 141 -2.904 4.226 7.946 1.00 1.50 H new ATOM 0 HA THR A 141 -2.795 4.911 10.803 1.00 1.39 H new ATOM 0 HB THR A 141 -5.406 4.131 9.590 1.00 1.51 H new ATOM 0 HG1 THR A 141 -5.994 6.394 9.360 1.00 1.79 H new ATOM 0 HG21 THR A 141 -6.271 5.619 11.459 1.00 1.79 H new ATOM 0 HG22 THR A 141 -5.131 4.396 12.069 1.00 1.79 H new ATOM 0 HG23 THR A 141 -4.590 6.074 11.829 1.00 1.79 H new ATOM 2076 N VAL A 142 -2.906 2.423 11.262 1.00 1.26 N ATOM 2077 CA VAL A 142 -3.346 1.093 11.660 1.00 0.98 C ATOM 2078 C VAL A 142 -4.852 1.133 11.869 1.00 0.86 C ATOM 2079 O VAL A 142 -5.374 2.018 12.541 1.00 1.09 O ATOM 2080 CB VAL A 142 -2.663 0.579 12.942 1.00 1.48 C ATOM 2081 CG1 VAL A 142 -3.325 -0.704 13.480 1.00 2.27 C ATOM 2082 CG2 VAL A 142 -1.184 0.262 12.682 1.00 2.34 C ATOM 0 H VAL A 142 -2.275 2.881 11.919 1.00 1.26 H new ATOM 0 HA VAL A 142 -3.067 0.401 10.865 1.00 0.98 H new ATOM 0 HB VAL A 142 -2.765 1.376 13.679 1.00 1.48 H new ATOM 0 HG11 VAL A 142 -2.809 -1.028 14.384 1.00 2.27 H new ATOM 0 HG12 VAL A 142 -4.371 -0.504 13.711 1.00 2.27 H new ATOM 0 HG13 VAL A 142 -3.263 -1.489 12.726 1.00 2.27 H new ATOM 0 HG21 VAL A 142 -0.722 -0.099 13.601 1.00 2.34 H new ATOM 0 HG22 VAL A 142 -1.106 -0.505 11.911 1.00 2.34 H new ATOM 0 HG23 VAL A 142 -0.672 1.165 12.349 1.00 2.34 H new ATOM 2092 N LYS A 143 -5.532 0.103 11.375 1.00 1.17 N ATOM 2093 CA LYS A 143 -6.825 -0.293 11.929 1.00 1.51 C ATOM 2094 C LYS A 143 -6.796 -1.797 12.246 1.00 1.75 C ATOM 2095 O LYS A 143 -6.494 -2.603 11.368 1.00 1.91 O ATOM 2096 CB LYS A 143 -7.935 0.110 10.938 1.00 1.70 C ATOM 2097 CG LYS A 143 -9.335 -0.109 11.527 1.00 2.00 C ATOM 2098 CD LYS A 143 -10.450 0.416 10.607 1.00 2.48 C ATOM 2099 CE LYS A 143 -11.777 0.053 11.280 1.00 2.87 C ATOM 2100 NZ LYS A 143 -12.997 0.462 10.544 1.00 3.46 N ATOM 0 H LYS A 143 -5.212 -0.471 10.595 1.00 1.17 H new ATOM 0 HA LYS A 143 -7.036 0.220 12.867 1.00 1.51 H new ATOM 0 HB2 LYS A 143 -7.816 1.159 10.666 1.00 1.70 H new ATOM 0 HB3 LYS A 143 -7.832 -0.471 10.021 1.00 1.70 H new ATOM 0 HG2 LYS A 143 -9.488 -1.173 11.707 1.00 2.00 H new ATOM 0 HG3 LYS A 143 -9.401 0.390 12.494 1.00 2.00 H new ATOM 0 HD2 LYS A 143 -10.366 1.494 10.472 1.00 2.48 H new ATOM 0 HD3 LYS A 143 -10.381 -0.035 9.617 1.00 2.48 H new ATOM 0 HE2 LYS A 143 -11.807 -1.027 11.427 1.00 2.87 H new ATOM 0 HE3 LYS A 143 -11.800 0.510 12.269 1.00 2.87 H new ATOM 0 HZ1 LYS A 143 -13.840 0.172 11.080 1.00 3.46 H new ATOM 0 HZ2 LYS A 143 -13.001 1.495 10.425 1.00 3.46 H new ATOM 0 HZ3 LYS A 143 -13.008 0.006 9.609 1.00 3.46 H new ATOM 2114 N LYS A 144 -7.055 -2.174 13.508 1.00 2.32 N ATOM 2115 CA LYS A 144 -6.957 -3.569 13.974 1.00 2.66 C ATOM 2116 C LYS A 144 -7.769 -4.561 13.102 1.00 2.93 C ATOM 2117 O LYS A 144 -8.977 -4.405 12.936 1.00 3.86 O ATOM 2118 CB LYS A 144 -7.251 -3.645 15.489 1.00 3.63 C ATOM 2119 CG LYS A 144 -8.718 -3.579 15.971 1.00 4.78 C ATOM 2120 CD LYS A 144 -9.508 -2.314 15.594 1.00 6.02 C ATOM 2121 CE LYS A 144 -10.864 -2.327 16.329 1.00 7.66 C ATOM 2122 NZ LYS A 144 -11.761 -1.229 15.875 1.00 8.98 N ATOM 0 H LYS A 144 -7.339 -1.519 14.237 1.00 2.32 H new ATOM 0 HA LYS A 144 -5.930 -3.908 13.840 1.00 2.66 H new ATOM 0 HB2 LYS A 144 -6.824 -4.576 15.861 1.00 3.63 H new ATOM 0 HB3 LYS A 144 -6.709 -2.831 15.971 1.00 3.63 H new ATOM 0 HG2 LYS A 144 -9.248 -4.444 15.571 1.00 4.78 H new ATOM 0 HG3 LYS A 144 -8.725 -3.675 17.057 1.00 4.78 H new ATOM 0 HD2 LYS A 144 -8.942 -1.423 15.865 1.00 6.02 H new ATOM 0 HD3 LYS A 144 -9.665 -2.276 14.516 1.00 6.02 H new ATOM 0 HE2 LYS A 144 -11.355 -3.286 16.165 1.00 7.66 H new ATOM 0 HE3 LYS A 144 -10.695 -2.235 17.402 1.00 7.66 H new ATOM 0 HZ1 LYS A 144 -12.660 -1.277 16.396 1.00 8.98 H new ATOM 0 HZ2 LYS A 144 -11.305 -0.312 16.055 1.00 8.98 H new ATOM 0 HZ3 LYS A 144 -11.945 -1.330 14.856 1.00 8.98 H new ATOM 2136 N ASN A 145 -7.101 -5.555 12.501 1.00 2.65 N ATOM 2137 CA ASN A 145 -7.687 -6.428 11.466 1.00 3.31 C ATOM 2138 C ASN A 145 -6.804 -7.673 11.176 1.00 2.90 C ATOM 2139 O ASN A 145 -6.617 -8.061 10.021 1.00 3.43 O ATOM 2140 CB ASN A 145 -8.052 -5.581 10.207 1.00 4.40 C ATOM 2141 CG ASN A 145 -9.507 -5.742 9.768 1.00 5.61 C ATOM 2142 OD1 ASN A 145 -9.801 -6.164 8.654 1.00 6.00 O ATOM 2143 ND2 ASN A 145 -10.452 -5.406 10.631 1.00 6.66 N ATOM 0 H ASN A 145 -6.130 -5.780 12.719 1.00 2.65 H new ATOM 0 HA ASN A 145 -8.619 -6.853 11.838 1.00 3.31 H new ATOM 0 HB2 ASN A 145 -7.858 -4.529 10.417 1.00 4.40 H new ATOM 0 HB3 ASN A 145 -7.398 -5.867 9.383 1.00 4.40 H new ATOM 0 HD21 ASN A 145 -11.434 -5.497 10.372 1.00 6.66 H new ATOM 0 HD22 ASN A 145 -10.198 -5.056 11.555 1.00 6.66 H new ATOM 2150 N ILE A 146 -6.213 -8.259 12.233 1.00 2.73 N ATOM 2151 CA ILE A 146 -5.421 -9.511 12.254 1.00 2.83 C ATOM 2152 C ILE A 146 -4.994 -9.909 13.676 1.00 3.44 C ATOM 2153 O ILE A 146 -5.560 -10.839 14.231 1.00 4.12 O ATOM 2154 CB ILE A 146 -4.258 -9.540 11.226 1.00 2.81 C ATOM 2155 CG1 ILE A 146 -3.542 -10.909 11.279 1.00 3.69 C ATOM 2156 CG2 ILE A 146 -3.260 -8.367 11.347 1.00 3.87 C ATOM 2157 CD1 ILE A 146 -2.633 -11.174 10.075 1.00 4.26 C ATOM 0 H ILE A 146 -6.278 -7.844 13.162 1.00 2.73 H new ATOM 0 HA ILE A 146 -6.099 -10.293 11.911 1.00 2.83 H new ATOM 0 HB ILE A 146 -4.714 -9.404 10.245 1.00 2.81 H new ATOM 0 HG12 ILE A 146 -2.948 -10.963 12.191 1.00 3.69 H new ATOM 0 HG13 ILE A 146 -4.291 -11.699 11.339 1.00 3.69 H new ATOM 0 HG21 ILE A 146 -2.483 -8.471 10.590 1.00 3.87 H new ATOM 0 HG22 ILE A 146 -3.787 -7.424 11.200 1.00 3.87 H new ATOM 0 HG23 ILE A 146 -2.805 -8.377 12.337 1.00 3.87 H new ATOM 0 HD11 ILE A 146 -2.165 -12.152 10.181 1.00 4.26 H new ATOM 0 HD12 ILE A 146 -3.225 -11.153 9.160 1.00 4.26 H new ATOM 0 HD13 ILE A 146 -1.861 -10.406 10.026 1.00 4.26 H new ATOM 2169 N GLU A 147 -4.014 -9.226 14.272 1.00 3.50 N ATOM 2170 CA GLU A 147 -3.469 -9.507 15.613 1.00 4.32 C ATOM 2171 C GLU A 147 -3.094 -10.999 15.815 1.00 3.70 C ATOM 2172 O GLU A 147 -3.590 -11.674 16.717 1.00 4.64 O ATOM 2173 CB GLU A 147 -4.407 -8.915 16.695 1.00 6.31 C ATOM 2174 CG GLU A 147 -3.662 -8.645 18.015 1.00 7.55 C ATOM 2175 CD GLU A 147 -4.508 -7.908 19.064 1.00 9.48 C ATOM 2176 OE1 GLU A 147 -5.046 -6.822 18.753 1.00 10.61 O ATOM 2177 OE2 GLU A 147 -4.576 -8.395 20.221 1.00 10.16 O ATOM 0 H GLU A 147 -3.558 -8.432 13.822 1.00 3.50 H new ATOM 0 HA GLU A 147 -2.511 -8.999 15.719 1.00 4.32 H new ATOM 0 HB2 GLU A 147 -4.844 -7.986 16.328 1.00 6.31 H new ATOM 0 HB3 GLU A 147 -5.231 -9.605 16.878 1.00 6.31 H new ATOM 0 HG2 GLU A 147 -3.327 -9.594 18.433 1.00 7.55 H new ATOM 0 HG3 GLU A 147 -2.769 -8.057 17.804 1.00 7.55 H new