USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=27 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 80 SER OG : rot 79:sc= 1.22 USER MOD Set 1.2: A 83 MET CE :methyl -120:sc= -0.142 (180deg=-0.241) USER MOD Set 1.3: A 101 THR OG1 : rot 180:sc= -0.0216 USER MOD Set 2.1: A 70 THR OG1 : rot -160:sc= 0 USER MOD Set 2.2: A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 48 TYR OH : rot -156:sc= 0.927 USER MOD Set 3.2: A 145 ASN : amide:sc= 0.341 X(o=1.3,f=0.92) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.61) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -22:sc= 0.352 USER MOD Single : A 45 THR OG1 : rot -56:sc= 1.11 USER MOD Single : A 49 MET CE :methyl -165:sc= 0 (180deg=-0.451) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00653 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 1.72 K(o=1.7,f=-5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0.681 (180deg=0.681) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 71 SER OG : rot -6:sc= 0.45 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 -70:sc= 1.18 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 61:sc= 0.52 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0386 USER MOD Single : A 99 THR OG1 : rot -157:sc= 1.23 USER MOD Single : A 103 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.1) USER MOD Single : A 108 HIS : no HE2:sc= 0.598 K(o=0.6,f=-2!) USER MOD Single : A 110 MET CE :methyl -179:sc= 0 (180deg=-0.00214) 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 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -0.467 X(o=-0.47,f=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.537 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=-0.00838 USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 141 THR OG1 : rot 80:sc= 0.0425 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 369 N VAL A 28 -14.874 9.714 -5.650 1.00 3.50 N ATOM 370 CA VAL A 28 -13.909 8.602 -5.575 1.00 2.96 C ATOM 371 C VAL A 28 -13.716 8.209 -4.108 1.00 2.96 C ATOM 372 O VAL A 28 -13.797 9.068 -3.230 1.00 3.56 O ATOM 373 CB VAL A 28 -12.573 8.981 -6.267 1.00 3.16 C ATOM 374 CG1 VAL A 28 -11.808 10.116 -5.562 1.00 4.17 C ATOM 375 CG2 VAL A 28 -11.652 7.761 -6.433 1.00 3.50 C ATOM 0 HA VAL A 28 -14.297 7.737 -6.113 1.00 2.96 H new ATOM 0 HB VAL A 28 -12.863 9.352 -7.250 1.00 3.16 H new ATOM 0 HG11 VAL A 28 -10.885 10.324 -6.104 1.00 4.17 H new ATOM 0 HG12 VAL A 28 -12.427 11.013 -5.540 1.00 4.17 H new ATOM 0 HG13 VAL A 28 -11.570 9.815 -4.542 1.00 4.17 H new ATOM 0 HG21 VAL A 28 -10.727 8.067 -6.921 1.00 3.50 H new ATOM 0 HG22 VAL A 28 -11.423 7.342 -5.453 1.00 3.50 H new ATOM 0 HG23 VAL A 28 -12.152 7.008 -7.042 1.00 3.50 H new ATOM 385 N THR A 29 -13.473 6.918 -3.825 1.00 2.59 N ATOM 386 CA THR A 29 -13.191 6.454 -2.451 1.00 2.70 C ATOM 387 C THR A 29 -11.787 5.884 -2.374 1.00 2.37 C ATOM 388 O THR A 29 -11.428 4.942 -3.074 1.00 2.38 O ATOM 389 CB THR A 29 -14.204 5.427 -1.957 1.00 3.05 C ATOM 390 OG1 THR A 29 -15.504 5.844 -2.308 1.00 3.54 O ATOM 391 CG2 THR A 29 -14.158 5.279 -0.435 1.00 3.71 C ATOM 0 H THR A 29 -13.466 6.177 -4.526 1.00 2.59 H new ATOM 0 HA THR A 29 -13.274 7.321 -1.796 1.00 2.70 H new ATOM 0 HB THR A 29 -13.955 4.472 -2.419 1.00 3.05 H new ATOM 0 HG1 THR A 29 -16.156 5.184 -1.992 1.00 3.54 H new ATOM 0 HG21 THR A 29 -14.893 4.539 -0.119 1.00 3.71 H new ATOM 0 HG22 THR A 29 -13.163 4.955 -0.131 1.00 3.71 H new ATOM 0 HG23 THR A 29 -14.385 6.238 0.031 1.00 3.71 H new ATOM 399 N VAL A 30 -11.008 6.501 -1.502 1.00 2.74 N ATOM 400 CA VAL A 30 -9.549 6.367 -1.427 1.00 2.96 C ATOM 401 C VAL A 30 -9.111 5.181 -0.569 1.00 2.24 C ATOM 402 O VAL A 30 -9.823 4.745 0.335 1.00 2.30 O ATOM 403 CB VAL A 30 -8.881 7.665 -0.914 1.00 4.30 C ATOM 404 CG1 VAL A 30 -9.143 8.825 -1.887 1.00 5.41 C ATOM 405 CG2 VAL A 30 -9.338 8.058 0.502 1.00 5.14 C ATOM 0 H VAL A 30 -11.381 7.135 -0.796 1.00 2.74 H new ATOM 0 HA VAL A 30 -9.214 6.180 -2.447 1.00 2.96 H new ATOM 0 HB VAL A 30 -7.812 7.461 -0.861 1.00 4.30 H new ATOM 0 HG11 VAL A 30 -8.666 9.730 -1.511 1.00 5.41 H new ATOM 0 HG12 VAL A 30 -8.732 8.578 -2.866 1.00 5.41 H new ATOM 0 HG13 VAL A 30 -10.217 8.990 -1.975 1.00 5.41 H new ATOM 0 HG21 VAL A 30 -8.834 8.976 0.805 1.00 5.14 H new ATOM 0 HG22 VAL A 30 -10.416 8.218 0.505 1.00 5.14 H new ATOM 0 HG23 VAL A 30 -9.087 7.259 1.200 1.00 5.14 H new ATOM 415 N GLN A 31 -7.891 4.711 -0.820 1.00 2.22 N ATOM 416 CA GLN A 31 -7.160 3.792 0.046 1.00 2.11 C ATOM 417 C GLN A 31 -6.822 4.420 1.413 1.00 2.14 C ATOM 418 O GLN A 31 -5.687 4.812 1.657 1.00 3.39 O ATOM 419 CB GLN A 31 -5.913 3.236 -0.684 1.00 2.49 C ATOM 420 CG GLN A 31 -4.921 4.216 -1.355 1.00 2.67 C ATOM 421 CD GLN A 31 -3.849 3.463 -2.163 1.00 2.64 C ATOM 422 OE1 GLN A 31 -2.686 3.371 -1.794 1.00 3.57 O ATOM 423 NE2 GLN A 31 -4.206 2.800 -3.255 1.00 2.19 N ATOM 0 H GLN A 31 -7.369 4.968 -1.658 1.00 2.22 H new ATOM 0 HA GLN A 31 -7.812 2.947 0.268 1.00 2.11 H new ATOM 0 HB2 GLN A 31 -5.349 2.644 0.037 1.00 2.49 H new ATOM 0 HB3 GLN A 31 -6.265 2.549 -1.454 1.00 2.49 H new ATOM 0 HG2 GLN A 31 -5.465 4.894 -2.013 1.00 2.67 H new ATOM 0 HG3 GLN A 31 -4.441 4.829 -0.592 1.00 2.67 H new ATOM 0 HE21 GLN A 31 -5.167 2.853 -3.592 1.00 2.19 H new ATOM 0 HE22 GLN A 31 -3.519 2.237 -3.757 1.00 2.19 H new ATOM 432 N GLY A 32 -7.781 4.444 2.356 1.00 1.46 N ATOM 433 CA GLY A 32 -7.597 4.953 3.733 1.00 1.64 C ATOM 434 C GLY A 32 -6.639 4.143 4.626 1.00 1.87 C ATOM 435 O GLY A 32 -6.528 4.420 5.819 1.00 2.58 O ATOM 0 H GLY A 32 -8.727 4.104 2.181 1.00 1.46 H new ATOM 0 HA2 GLY A 32 -7.230 5.978 3.675 1.00 1.64 H new ATOM 0 HA3 GLY A 32 -8.572 4.991 4.219 1.00 1.64 H new ATOM 439 N ALA A 33 -5.990 3.146 4.016 1.00 1.68 N ATOM 440 CA ALA A 33 -4.775 2.427 4.401 1.00 1.83 C ATOM 441 C ALA A 33 -4.696 1.934 5.861 1.00 1.82 C ATOM 442 O ALA A 33 -4.516 2.733 6.778 1.00 1.94 O ATOM 443 CB ALA A 33 -3.592 3.318 4.000 1.00 1.94 C ATOM 0 H ALA A 33 -6.350 2.781 3.134 1.00 1.68 H new ATOM 0 HA ALA A 33 -4.765 1.476 3.868 1.00 1.83 H new ATOM 0 HB1 ALA A 33 -2.658 2.824 4.267 1.00 1.94 H new ATOM 0 HB2 ALA A 33 -3.616 3.492 2.924 1.00 1.94 H new ATOM 0 HB3 ALA A 33 -3.661 4.272 4.523 1.00 1.94 H new ATOM 449 N THR A 34 -4.742 0.610 6.071 1.00 1.74 N ATOM 450 CA THR A 34 -4.456 -0.012 7.380 1.00 1.59 C ATOM 451 C THR A 34 -2.995 -0.434 7.449 1.00 1.17 C ATOM 452 O THR A 34 -2.537 -1.128 6.547 1.00 1.13 O ATOM 453 CB THR A 34 -5.334 -1.237 7.646 1.00 1.94 C ATOM 454 OG1 THR A 34 -6.661 -0.962 7.263 1.00 2.46 O ATOM 455 CG2 THR A 34 -5.349 -1.627 9.126 1.00 2.41 C ATOM 0 H THR A 34 -4.978 -0.062 5.341 1.00 1.74 H new ATOM 0 HA THR A 34 -4.676 0.737 8.141 1.00 1.59 H new ATOM 0 HB THR A 34 -4.914 -2.060 7.067 1.00 1.94 H new ATOM 0 HG1 THR A 34 -7.220 -1.749 7.433 1.00 2.46 H new ATOM 0 HG21 THR A 34 -5.985 -2.501 9.265 1.00 2.41 H new ATOM 0 HG22 THR A 34 -4.335 -1.860 9.451 1.00 2.41 H new ATOM 0 HG23 THR A 34 -5.738 -0.798 9.717 1.00 2.41 H new ATOM 463 N VAL A 35 -2.304 -0.091 8.535 1.00 1.02 N ATOM 464 CA VAL A 35 -0.997 -0.658 8.937 1.00 0.87 C ATOM 465 C VAL A 35 -1.204 -1.671 10.064 1.00 1.08 C ATOM 466 O VAL A 35 -1.927 -1.387 11.022 1.00 1.36 O ATOM 467 CB VAL A 35 -0.011 0.424 9.434 1.00 0.71 C ATOM 468 CG1 VAL A 35 1.379 -0.160 9.744 1.00 0.92 C ATOM 469 CG2 VAL A 35 0.149 1.559 8.406 1.00 0.71 C ATOM 0 H VAL A 35 -2.643 0.614 9.190 1.00 1.02 H new ATOM 0 HA VAL A 35 -0.569 -1.131 8.053 1.00 0.87 H new ATOM 0 HB VAL A 35 -0.441 0.823 10.353 1.00 0.71 H new ATOM 0 HG11 VAL A 35 2.039 0.636 10.090 1.00 0.92 H new ATOM 0 HG12 VAL A 35 1.289 -0.920 10.520 1.00 0.92 H new ATOM 0 HG13 VAL A 35 1.794 -0.609 8.842 1.00 0.92 H new ATOM 0 HG21 VAL A 35 0.849 2.301 8.789 1.00 0.71 H new ATOM 0 HG22 VAL A 35 0.529 1.151 7.470 1.00 0.71 H new ATOM 0 HG23 VAL A 35 -0.818 2.030 8.230 1.00 0.71 H new ATOM 479 N ALA A 36 -0.556 -2.835 9.981 1.00 1.00 N ATOM 480 CA ALA A 36 -0.542 -3.824 11.055 1.00 1.23 C ATOM 481 C ALA A 36 0.348 -3.337 12.209 1.00 1.36 C ATOM 482 O ALA A 36 1.571 -3.407 12.134 1.00 1.84 O ATOM 483 CB ALA A 36 -0.099 -5.188 10.506 1.00 1.27 C ATOM 0 H ALA A 36 -0.023 -3.118 9.159 1.00 1.00 H new ATOM 0 HA ALA A 36 -1.548 -3.948 11.456 1.00 1.23 H new ATOM 0 HB1 ALA A 36 -0.091 -5.920 11.314 1.00 1.27 H new ATOM 0 HB2 ALA A 36 -0.793 -5.511 9.730 1.00 1.27 H new ATOM 0 HB3 ALA A 36 0.902 -5.103 10.084 1.00 1.27 H new ATOM 489 N ALA A 37 -0.294 -2.828 13.263 1.00 1.29 N ATOM 490 CA ALA A 37 0.315 -2.533 14.569 1.00 1.42 C ATOM 491 C ALA A 37 1.178 -3.709 15.052 1.00 1.49 C ATOM 492 O ALA A 37 0.711 -4.847 15.022 1.00 1.57 O ATOM 493 CB ALA A 37 -0.778 -2.237 15.615 1.00 1.65 C ATOM 0 H ALA A 37 -1.288 -2.601 13.233 1.00 1.29 H new ATOM 0 HA ALA A 37 0.951 -1.656 14.450 1.00 1.42 H new ATOM 0 HB1 ALA A 37 -0.312 -2.021 16.576 1.00 1.65 H new ATOM 0 HB2 ALA A 37 -1.365 -1.377 15.294 1.00 1.65 H new ATOM 0 HB3 ALA A 37 -1.430 -3.104 15.715 1.00 1.65 H new ATOM 499 N VAL A 38 2.402 -3.432 15.500 1.00 1.61 N ATOM 500 CA VAL A 38 3.431 -4.430 15.856 1.00 1.73 C ATOM 501 C VAL A 38 4.362 -3.814 16.922 1.00 2.19 C ATOM 502 O VAL A 38 4.686 -2.626 16.800 1.00 2.47 O ATOM 503 CB VAL A 38 4.242 -4.849 14.594 1.00 1.49 C ATOM 504 CG1 VAL A 38 5.608 -5.483 14.908 1.00 2.76 C ATOM 505 CG2 VAL A 38 3.492 -5.868 13.717 1.00 1.99 C ATOM 0 H VAL A 38 2.724 -2.473 15.633 1.00 1.61 H new ATOM 0 HA VAL A 38 2.956 -5.326 16.257 1.00 1.73 H new ATOM 0 HB VAL A 38 4.383 -3.903 14.071 1.00 1.49 H new ATOM 0 HG11 VAL A 38 6.109 -5.747 13.977 1.00 2.76 H new ATOM 0 HG12 VAL A 38 6.221 -4.771 15.461 1.00 2.76 H new ATOM 0 HG13 VAL A 38 5.463 -6.381 15.509 1.00 2.76 H new ATOM 0 HG21 VAL A 38 4.104 -6.124 12.852 1.00 1.99 H new ATOM 0 HG22 VAL A 38 3.290 -6.768 14.297 1.00 1.99 H new ATOM 0 HG23 VAL A 38 2.551 -5.434 13.380 1.00 1.99 H new ATOM 515 N PRO A 39 4.799 -4.571 17.955 1.00 2.36 N ATOM 516 CA PRO A 39 5.711 -4.068 18.982 1.00 2.83 C ATOM 517 C PRO A 39 7.165 -3.970 18.467 1.00 2.87 C ATOM 518 O PRO A 39 7.609 -4.844 17.719 1.00 2.55 O ATOM 519 CB PRO A 39 5.579 -5.041 20.156 1.00 2.92 C ATOM 520 CG PRO A 39 5.214 -6.361 19.483 1.00 2.52 C ATOM 521 CD PRO A 39 4.375 -5.929 18.282 1.00 2.23 C ATOM 0 HA PRO A 39 5.455 -3.051 19.280 1.00 2.83 H new ATOM 0 HB2 PRO A 39 6.509 -5.121 20.718 1.00 2.92 H new ATOM 0 HB3 PRO A 39 4.809 -4.721 20.858 1.00 2.92 H new ATOM 0 HG2 PRO A 39 6.102 -6.913 19.175 1.00 2.52 H new ATOM 0 HG3 PRO A 39 4.651 -7.011 20.153 1.00 2.52 H new ATOM 0 HD2 PRO A 39 4.531 -6.599 17.437 1.00 2.23 H new ATOM 0 HD3 PRO A 39 3.312 -5.958 18.520 1.00 2.23 H new ATOM 529 N PRO A 40 7.941 -2.945 18.881 1.00 3.47 N ATOM 530 CA PRO A 40 9.179 -2.526 18.211 1.00 3.79 C ATOM 531 C PRO A 40 10.342 -3.529 18.222 1.00 3.88 C ATOM 532 O PRO A 40 11.266 -3.386 17.428 1.00 5.19 O ATOM 533 CB PRO A 40 9.593 -1.214 18.889 1.00 4.56 C ATOM 534 CG PRO A 40 8.881 -1.241 20.240 1.00 4.71 C ATOM 535 CD PRO A 40 7.590 -1.987 19.920 1.00 4.06 C ATOM 0 HA PRO A 40 8.962 -2.429 17.147 1.00 3.79 H new ATOM 0 HB2 PRO A 40 10.674 -1.154 19.011 1.00 4.56 H new ATOM 0 HB3 PRO A 40 9.291 -0.349 18.298 1.00 4.56 H new ATOM 0 HG2 PRO A 40 9.470 -1.757 20.998 1.00 4.71 H new ATOM 0 HG3 PRO A 40 8.686 -0.237 20.616 1.00 4.71 H new ATOM 0 HD2 PRO A 40 7.199 -2.492 20.803 1.00 4.06 H new ATOM 0 HD3 PRO A 40 6.816 -1.301 19.576 1.00 4.06 H new ATOM 543 N SER A 41 10.308 -4.565 19.065 1.00 2.92 N ATOM 544 CA SER A 41 11.299 -5.654 19.032 1.00 2.90 C ATOM 545 C SER A 41 11.214 -6.493 17.737 1.00 2.66 C ATOM 546 O SER A 41 12.104 -7.307 17.466 1.00 2.76 O ATOM 547 CB SER A 41 11.103 -6.561 20.257 1.00 2.93 C ATOM 548 OG SER A 41 12.052 -7.614 20.276 1.00 3.14 O ATOM 0 H SER A 41 9.597 -4.676 19.788 1.00 2.92 H new ATOM 0 HA SER A 41 12.289 -5.198 19.053 1.00 2.90 H new ATOM 0 HB2 SER A 41 11.195 -5.970 21.168 1.00 2.93 H new ATOM 0 HB3 SER A 41 10.095 -6.977 20.247 1.00 2.93 H new ATOM 0 HG SER A 41 12.397 -7.760 19.370 1.00 3.14 H new ATOM 554 N ILE A 42 10.135 -6.338 16.964 1.00 2.43 N ATOM 555 CA ILE A 42 9.863 -6.984 15.682 1.00 2.23 C ATOM 556 C ILE A 42 9.917 -5.874 14.623 1.00 2.19 C ATOM 557 O ILE A 42 8.965 -5.115 14.487 1.00 2.43 O ATOM 558 CB ILE A 42 8.466 -7.661 15.721 1.00 2.11 C ATOM 559 CG1 ILE A 42 8.270 -8.818 16.730 1.00 2.49 C ATOM 560 CG2 ILE A 42 8.109 -8.239 14.336 1.00 1.99 C ATOM 561 CD1 ILE A 42 8.549 -8.555 18.215 1.00 2.69 C ATOM 0 H ILE A 42 9.377 -5.713 17.239 1.00 2.43 H new ATOM 0 HA ILE A 42 10.589 -7.765 15.454 1.00 2.23 H new ATOM 0 HB ILE A 42 7.821 -6.844 16.044 1.00 2.11 H new ATOM 0 HG12 ILE A 42 7.239 -9.161 16.643 1.00 2.49 H new ATOM 0 HG13 ILE A 42 8.908 -9.643 16.415 1.00 2.49 H new ATOM 0 HG21 ILE A 42 7.127 -8.710 14.380 1.00 1.99 H new ATOM 0 HG22 ILE A 42 8.093 -7.436 13.600 1.00 1.99 H new ATOM 0 HG23 ILE A 42 8.854 -8.980 14.048 1.00 1.99 H new ATOM 0 HD11 ILE A 42 8.365 -9.465 18.787 1.00 2.69 H new ATOM 0 HD12 ILE A 42 9.588 -8.251 18.342 1.00 2.69 H new ATOM 0 HD13 ILE A 42 7.893 -7.762 18.574 1.00 2.69 H new ATOM 573 N ARG A 43 10.999 -5.757 13.846 1.00 2.11 N ATOM 574 CA ARG A 43 11.155 -4.678 12.851 1.00 1.98 C ATOM 575 C ARG A 43 10.294 -4.862 11.582 1.00 1.52 C ATOM 576 O ARG A 43 10.506 -4.176 10.578 1.00 1.55 O ATOM 577 CB ARG A 43 12.641 -4.383 12.550 1.00 2.47 C ATOM 578 CG ARG A 43 13.395 -5.308 11.573 1.00 3.71 C ATOM 579 CD ARG A 43 14.234 -6.417 12.218 1.00 4.22 C ATOM 580 NE ARG A 43 13.400 -7.420 12.891 1.00 4.49 N ATOM 581 CZ ARG A 43 13.474 -7.846 14.147 1.00 4.82 C ATOM 582 NH1 ARG A 43 14.291 -7.323 15.042 1.00 4.60 N ATOM 583 NH2 ARG A 43 12.645 -8.801 14.502 1.00 5.94 N ATOM 0 H ARG A 43 11.789 -6.401 13.884 1.00 2.11 H new ATOM 0 HA ARG A 43 10.748 -3.781 13.317 1.00 1.98 H new ATOM 0 HB2 ARG A 43 12.704 -3.367 12.159 1.00 2.47 H new ATOM 0 HB3 ARG A 43 13.179 -4.394 13.498 1.00 2.47 H new ATOM 0 HG2 ARG A 43 12.668 -5.770 10.905 1.00 3.71 H new ATOM 0 HG3 ARG A 43 14.051 -4.695 10.955 1.00 3.71 H new ATOM 0 HD2 ARG A 43 14.840 -6.904 11.454 1.00 4.22 H new ATOM 0 HD3 ARG A 43 14.923 -5.977 12.939 1.00 4.22 H new ATOM 0 HE ARG A 43 12.669 -7.845 12.320 1.00 4.49 H new ATOM 0 HH11 ARG A 43 14.907 -6.552 14.782 1.00 4.60 H new ATOM 0 HH12 ARG A 43 14.307 -7.689 15.994 1.00 4.60 H new ATOM 0 HH21 ARG A 43 11.984 -9.181 13.824 1.00 5.94 H new ATOM 0 HH22 ARG A 43 12.662 -9.163 15.456 1.00 5.94 H new ATOM 597 N ASP A 44 9.353 -5.806 11.587 1.00 1.37 N ATOM 598 CA ASP A 44 8.812 -6.493 10.412 1.00 1.49 C ATOM 599 C ASP A 44 7.265 -6.404 10.410 1.00 1.34 C ATOM 600 O ASP A 44 6.632 -7.057 11.243 1.00 1.47 O ATOM 601 CB ASP A 44 9.285 -7.976 10.450 1.00 1.63 C ATOM 602 CG ASP A 44 10.736 -8.192 10.940 1.00 1.94 C ATOM 603 OD1 ASP A 44 11.684 -8.021 10.100 1.00 2.11 O ATOM 604 OD2 ASP A 44 10.944 -8.510 12.117 1.00 3.13 O ATOM 0 H ASP A 44 8.925 -6.129 12.455 1.00 1.37 H new ATOM 0 HA ASP A 44 9.172 -6.021 9.498 1.00 1.49 H new ATOM 0 HB2 ASP A 44 8.612 -8.539 11.097 1.00 1.63 H new ATOM 0 HB3 ASP A 44 9.190 -8.397 9.449 1.00 1.63 H new ATOM 609 N THR A 45 6.661 -5.576 9.531 1.00 1.11 N ATOM 610 CA THR A 45 5.215 -5.264 9.572 1.00 0.92 C ATOM 611 C THR A 45 4.581 -5.286 8.180 1.00 0.84 C ATOM 612 O THR A 45 5.274 -5.215 7.167 1.00 0.93 O ATOM 613 CB THR A 45 4.924 -3.940 10.306 1.00 1.10 C ATOM 614 OG1 THR A 45 5.066 -2.873 9.413 1.00 2.36 O ATOM 615 CG2 THR A 45 5.834 -3.639 11.491 1.00 2.13 C ATOM 0 H THR A 45 7.159 -5.106 8.775 1.00 1.11 H new ATOM 0 HA THR A 45 4.746 -6.059 10.151 1.00 0.92 H new ATOM 0 HB THR A 45 3.911 -4.056 10.691 1.00 1.10 H new ATOM 0 HG1 THR A 45 5.963 -2.893 9.019 1.00 2.36 H new ATOM 0 HG21 THR A 45 5.547 -2.687 11.938 1.00 2.13 H new ATOM 0 HG22 THR A 45 5.739 -4.431 12.233 1.00 2.13 H new ATOM 0 HG23 THR A 45 6.868 -3.583 11.151 1.00 2.13 H new ATOM 623 N ALA A 46 3.250 -5.348 8.117 1.00 0.95 N ATOM 624 CA ALA A 46 2.457 -5.433 6.881 1.00 1.14 C ATOM 625 C ALA A 46 1.388 -4.329 6.802 1.00 1.02 C ATOM 626 O ALA A 46 1.064 -3.722 7.818 1.00 0.95 O ATOM 627 CB ALA A 46 1.834 -6.834 6.788 1.00 1.45 C ATOM 0 H ALA A 46 2.669 -5.340 8.955 1.00 0.95 H new ATOM 0 HA ALA A 46 3.115 -5.273 6.027 1.00 1.14 H new ATOM 0 HB1 ALA A 46 1.243 -6.910 5.875 1.00 1.45 H new ATOM 0 HB2 ALA A 46 2.625 -7.584 6.771 1.00 1.45 H new ATOM 0 HB3 ALA A 46 1.191 -7.004 7.652 1.00 1.45 H new ATOM 633 N ALA A 47 0.822 -4.083 5.613 1.00 1.30 N ATOM 634 CA ALA A 47 -0.204 -3.058 5.378 1.00 1.20 C ATOM 635 C ALA A 47 -1.101 -3.351 4.160 1.00 1.13 C ATOM 636 O ALA A 47 -0.766 -4.143 3.273 1.00 1.39 O ATOM 637 CB ALA A 47 0.476 -1.688 5.256 1.00 1.26 C ATOM 0 H ALA A 47 1.070 -4.602 4.770 1.00 1.30 H new ATOM 0 HA ALA A 47 -0.878 -3.064 6.234 1.00 1.20 H new ATOM 0 HB1 ALA A 47 -0.279 -0.921 5.081 1.00 1.26 H new ATOM 0 HB2 ALA A 47 1.013 -1.465 6.178 1.00 1.26 H new ATOM 0 HB3 ALA A 47 1.178 -1.703 4.422 1.00 1.26 H new ATOM 643 N TYR A 48 -2.253 -2.674 4.129 1.00 0.94 N ATOM 644 CA TYR A 48 -3.379 -2.907 3.217 1.00 1.04 C ATOM 645 C TYR A 48 -3.924 -1.605 2.597 1.00 0.97 C ATOM 646 O TYR A 48 -4.451 -0.745 3.311 1.00 1.14 O ATOM 647 CB TYR A 48 -4.527 -3.553 4.014 1.00 1.54 C ATOM 648 CG TYR A 48 -4.224 -4.885 4.661 1.00 1.37 C ATOM 649 CD1 TYR A 48 -4.424 -6.084 3.950 1.00 2.44 C ATOM 650 CD2 TYR A 48 -3.794 -4.925 6.001 1.00 2.15 C ATOM 651 CE1 TYR A 48 -4.205 -7.324 4.581 1.00 3.10 C ATOM 652 CE2 TYR A 48 -3.578 -6.158 6.639 1.00 2.54 C ATOM 653 CZ TYR A 48 -3.785 -7.362 5.930 1.00 2.71 C ATOM 654 OH TYR A 48 -3.598 -8.553 6.560 1.00 3.60 O ATOM 0 H TYR A 48 -2.436 -1.906 4.775 1.00 0.94 H new ATOM 0 HA TYR A 48 -3.016 -3.545 2.411 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -4.837 -2.857 4.793 1.00 1.54 H new ATOM 0 HB3 TYR A 48 -5.378 -3.683 3.345 1.00 1.54 H new ATOM 0 HD1 TYR A 48 -4.746 -6.053 2.920 1.00 2.44 H new ATOM 0 HD2 TYR A 48 -3.630 -4.004 6.541 1.00 2.15 H new ATOM 0 HE1 TYR A 48 -4.358 -8.243 4.035 1.00 3.10 H new ATOM 0 HE2 TYR A 48 -3.254 -6.185 7.669 1.00 2.54 H new ATOM 0 HH TYR A 48 -3.686 -8.428 7.528 1.00 3.60 H new ATOM 664 N MET A 49 -3.890 -1.504 1.261 1.00 1.17 N ATOM 665 CA MET A 49 -4.459 -0.392 0.482 1.00 1.52 C ATOM 666 C MET A 49 -5.265 -0.896 -0.738 1.00 1.49 C ATOM 667 O MET A 49 -4.893 -1.897 -1.345 1.00 1.48 O ATOM 668 CB MET A 49 -3.325 0.539 0.015 1.00 1.81 C ATOM 669 CG MET A 49 -2.499 1.178 1.141 1.00 2.68 C ATOM 670 SD MET A 49 -1.079 0.191 1.690 1.00 4.08 S ATOM 671 CE MET A 49 -0.525 1.186 3.093 1.00 5.26 C ATOM 0 H MET A 49 -3.453 -2.214 0.674 1.00 1.17 H new ATOM 0 HA MET A 49 -5.148 0.154 1.127 1.00 1.52 H new ATOM 0 HB2 MET A 49 -2.653 -0.028 -0.630 1.00 1.81 H new ATOM 0 HB3 MET A 49 -3.756 1.334 -0.594 1.00 1.81 H new ATOM 0 HG2 MET A 49 -2.140 2.150 0.804 1.00 2.68 H new ATOM 0 HG3 MET A 49 -3.152 1.358 1.995 1.00 2.68 H new ATOM 0 HE1 MET A 49 0.480 0.880 3.382 1.00 5.26 H new ATOM 0 HE2 MET A 49 -0.517 2.239 2.812 1.00 5.26 H new ATOM 0 HE3 MET A 49 -1.204 1.040 3.933 1.00 5.26 H new ATOM 681 N THR A 50 -6.347 -0.186 -1.109 1.00 1.59 N ATOM 682 CA THR A 50 -7.309 -0.534 -2.183 1.00 1.53 C ATOM 683 C THR A 50 -8.000 0.731 -2.692 1.00 1.65 C ATOM 684 O THR A 50 -8.400 1.547 -1.863 1.00 1.92 O ATOM 685 CB THR A 50 -8.405 -1.445 -1.616 1.00 1.60 C ATOM 686 OG1 THR A 50 -7.818 -2.587 -1.047 1.00 2.13 O ATOM 687 CG2 THR A 50 -9.400 -1.914 -2.679 1.00 1.96 C ATOM 0 H THR A 50 -6.590 0.691 -0.648 1.00 1.59 H new ATOM 0 HA THR A 50 -6.762 -1.028 -2.986 1.00 1.53 H new ATOM 0 HB THR A 50 -8.946 -0.855 -0.876 1.00 1.60 H new ATOM 0 HG1 THR A 50 -8.518 -3.168 -0.683 1.00 2.13 H new ATOM 0 HG21 THR A 50 -10.151 -2.555 -2.217 1.00 1.96 H new ATOM 0 HG22 THR A 50 -9.888 -1.049 -3.128 1.00 1.96 H new ATOM 0 HG23 THR A 50 -8.871 -2.473 -3.451 1.00 1.96 H new ATOM 695 N LEU A 51 -8.175 0.915 -4.005 1.00 1.68 N ATOM 696 CA LEU A 51 -8.824 2.116 -4.560 1.00 1.87 C ATOM 697 C LEU A 51 -10.181 1.770 -5.208 1.00 1.82 C ATOM 698 O LEU A 51 -10.206 1.029 -6.191 1.00 2.13 O ATOM 699 CB LEU A 51 -7.831 2.751 -5.565 1.00 2.21 C ATOM 700 CG LEU A 51 -7.879 4.281 -5.712 1.00 3.05 C ATOM 701 CD1 LEU A 51 -9.284 4.810 -6.021 1.00 3.82 C ATOM 702 CD2 LEU A 51 -7.305 4.974 -4.469 1.00 4.07 C ATOM 0 H LEU A 51 -7.875 0.243 -4.711 1.00 1.68 H new ATOM 0 HA LEU A 51 -9.054 2.833 -3.772 1.00 1.87 H new ATOM 0 HB2 LEU A 51 -6.821 2.469 -5.269 1.00 2.21 H new ATOM 0 HB3 LEU A 51 -8.010 2.309 -6.545 1.00 2.21 H new ATOM 0 HG LEU A 51 -7.254 4.523 -6.572 1.00 3.05 H new ATOM 0 HD11 LEU A 51 -9.252 5.896 -6.113 1.00 3.82 H new ATOM 0 HD12 LEU A 51 -9.638 4.377 -6.956 1.00 3.82 H new ATOM 0 HD13 LEU A 51 -9.962 4.534 -5.214 1.00 3.82 H new ATOM 0 HD21 LEU A 51 -7.352 6.055 -4.601 1.00 4.07 H new ATOM 0 HD22 LEU A 51 -7.887 4.690 -3.593 1.00 4.07 H new ATOM 0 HD23 LEU A 51 -6.268 4.670 -4.329 1.00 4.07 H new ATOM 714 N THR A 52 -11.306 2.315 -4.709 1.00 1.88 N ATOM 715 CA THR A 52 -12.629 2.084 -5.323 1.00 2.01 C ATOM 716 C THR A 52 -12.776 2.981 -6.551 1.00 1.87 C ATOM 717 O THR A 52 -12.700 4.209 -6.474 1.00 2.29 O ATOM 718 CB THR A 52 -13.787 2.204 -4.312 1.00 2.68 C ATOM 719 OG1 THR A 52 -14.389 0.936 -4.210 1.00 2.78 O ATOM 720 CG2 THR A 52 -14.938 3.144 -4.680 1.00 3.14 C ATOM 0 H THR A 52 -11.327 2.916 -3.885 1.00 1.88 H new ATOM 0 HA THR A 52 -12.690 1.049 -5.660 1.00 2.01 H new ATOM 0 HB THR A 52 -13.319 2.603 -3.412 1.00 2.68 H new ATOM 0 HG1 THR A 52 -15.131 0.977 -3.571 1.00 2.78 H new ATOM 0 HG21 THR A 52 -15.684 3.135 -3.885 1.00 3.14 H new ATOM 0 HG22 THR A 52 -14.555 4.156 -4.807 1.00 3.14 H new ATOM 0 HG23 THR A 52 -15.396 2.811 -5.611 1.00 3.14 H new ATOM 728 N ASN A 53 -13.002 2.349 -7.701 1.00 1.60 N ATOM 729 CA ASN A 53 -13.205 2.965 -9.012 1.00 1.68 C ATOM 730 C ASN A 53 -14.692 3.203 -9.344 1.00 2.09 C ATOM 731 O ASN A 53 -15.546 2.329 -9.186 1.00 2.24 O ATOM 732 CB ASN A 53 -12.558 2.117 -10.129 1.00 1.56 C ATOM 733 CG ASN A 53 -12.762 0.598 -10.036 1.00 2.39 C ATOM 734 OD1 ASN A 53 -12.894 -0.039 -8.998 1.00 3.69 O ATOM 735 ND2 ASN A 53 -12.738 -0.056 -11.172 1.00 2.95 N ATOM 0 H ASN A 53 -13.051 1.331 -7.746 1.00 1.60 H new ATOM 0 HA ASN A 53 -12.719 3.940 -8.962 1.00 1.68 H new ATOM 0 HB2 ASN A 53 -12.951 2.457 -11.087 1.00 1.56 H new ATOM 0 HB3 ASN A 53 -11.487 2.318 -10.134 1.00 1.56 H new ATOM 0 HD21 ASN A 53 -12.828 -1.072 -11.178 1.00 2.95 H new ATOM 0 HD22 ASN A 53 -12.629 0.451 -12.050 1.00 2.95 H new ATOM 742 N LYS A 54 -14.976 4.398 -9.871 1.00 2.67 N ATOM 743 CA LYS A 54 -16.309 4.888 -10.254 1.00 3.27 C ATOM 744 C LYS A 54 -16.717 4.385 -11.661 1.00 2.66 C ATOM 745 O LYS A 54 -16.774 5.170 -12.610 1.00 3.94 O ATOM 746 CB LYS A 54 -16.276 6.427 -10.079 1.00 5.14 C ATOM 747 CG LYS A 54 -17.643 7.117 -9.913 1.00 6.22 C ATOM 748 CD LYS A 54 -18.363 7.459 -11.229 1.00 7.81 C ATOM 749 CE LYS A 54 -19.597 8.344 -10.995 1.00 9.14 C ATOM 750 NZ LYS A 54 -20.696 7.588 -10.349 1.00 8.94 N ATOM 0 H LYS A 54 -14.246 5.087 -10.052 1.00 2.67 H new ATOM 0 HA LYS A 54 -17.099 4.489 -9.618 1.00 3.27 H new ATOM 0 HB2 LYS A 54 -15.665 6.661 -9.207 1.00 5.14 H new ATOM 0 HB3 LYS A 54 -15.775 6.861 -10.945 1.00 5.14 H new ATOM 0 HG2 LYS A 54 -18.290 6.470 -9.320 1.00 6.22 H new ATOM 0 HG3 LYS A 54 -17.503 8.036 -9.344 1.00 6.22 H new ATOM 0 HD2 LYS A 54 -17.671 7.970 -11.899 1.00 7.81 H new ATOM 0 HD3 LYS A 54 -18.666 6.538 -11.727 1.00 7.81 H new ATOM 0 HE2 LYS A 54 -19.323 9.194 -10.370 1.00 9.14 H new ATOM 0 HE3 LYS A 54 -19.942 8.747 -11.947 1.00 9.14 H new ATOM 0 HZ1 LYS A 54 -21.512 8.216 -10.206 1.00 8.94 H new ATOM 0 HZ2 LYS A 54 -20.974 6.792 -10.957 1.00 8.94 H new ATOM 0 HZ3 LYS A 54 -20.374 7.225 -9.429 1.00 8.94 H new ATOM 764 N SER A 55 -16.904 3.074 -11.797 1.00 1.70 N ATOM 765 CA SER A 55 -17.443 2.353 -12.972 1.00 2.63 C ATOM 766 C SER A 55 -16.610 2.433 -14.262 1.00 2.42 C ATOM 767 O SER A 55 -16.114 1.417 -14.747 1.00 3.23 O ATOM 768 CB SER A 55 -18.892 2.765 -13.274 1.00 3.85 C ATOM 769 OG SER A 55 -19.765 2.246 -12.292 1.00 4.68 O ATOM 0 H SER A 55 -16.669 2.432 -11.040 1.00 1.70 H new ATOM 0 HA SER A 55 -17.395 1.310 -12.660 1.00 2.63 H new ATOM 0 HB2 SER A 55 -18.970 3.852 -13.301 1.00 3.85 H new ATOM 0 HB3 SER A 55 -19.183 2.400 -14.259 1.00 3.85 H new ATOM 0 HG SER A 55 -20.684 2.517 -12.495 1.00 4.68 H new ATOM 775 N ASP A 56 -16.489 3.616 -14.874 1.00 1.84 N ATOM 776 CA ASP A 56 -15.829 3.847 -16.175 1.00 1.81 C ATOM 777 C ASP A 56 -14.617 4.820 -16.088 1.00 1.84 C ATOM 778 O ASP A 56 -14.209 5.415 -17.089 1.00 2.22 O ATOM 779 CB ASP A 56 -16.872 4.344 -17.218 1.00 1.98 C ATOM 780 CG ASP A 56 -18.037 3.379 -17.531 1.00 3.17 C ATOM 781 OD1 ASP A 56 -17.788 2.305 -18.135 1.00 4.10 O ATOM 782 OD2 ASP A 56 -19.201 3.756 -17.251 1.00 3.97 O ATOM 0 H ASP A 56 -16.860 4.474 -14.466 1.00 1.84 H new ATOM 0 HA ASP A 56 -15.418 2.891 -16.499 1.00 1.81 H new ATOM 0 HB2 ASP A 56 -17.292 5.284 -16.861 1.00 1.98 H new ATOM 0 HB3 ASP A 56 -16.348 4.562 -18.149 1.00 1.98 H new ATOM 787 N GLN A 57 -14.028 4.981 -14.896 1.00 1.66 N ATOM 788 CA GLN A 57 -12.835 5.814 -14.688 1.00 1.83 C ATOM 789 C GLN A 57 -11.599 4.943 -14.416 1.00 1.96 C ATOM 790 O GLN A 57 -11.578 4.245 -13.400 1.00 2.23 O ATOM 791 CB GLN A 57 -13.033 6.778 -13.500 1.00 1.98 C ATOM 792 CG GLN A 57 -13.994 7.949 -13.774 1.00 2.18 C ATOM 793 CD GLN A 57 -13.876 9.050 -12.707 1.00 2.48 C ATOM 794 OE1 GLN A 57 -14.277 8.895 -11.563 1.00 3.26 O ATOM 795 NE2 GLN A 57 -13.302 10.203 -13.022 1.00 3.48 N ATOM 0 H GLN A 57 -14.367 4.535 -14.044 1.00 1.66 H new ATOM 0 HA GLN A 57 -12.682 6.390 -15.600 1.00 1.83 H new ATOM 0 HB2 GLN A 57 -13.407 6.211 -12.648 1.00 1.98 H new ATOM 0 HB3 GLN A 57 -12.062 7.182 -13.212 1.00 1.98 H new ATOM 0 HG2 GLN A 57 -13.781 8.371 -14.756 1.00 2.18 H new ATOM 0 HG3 GLN A 57 -15.019 7.579 -13.802 1.00 2.18 H new ATOM 0 HE21 GLN A 57 -12.958 10.359 -13.969 1.00 3.48 H new ATOM 0 HE22 GLN A 57 -13.204 10.933 -12.317 1.00 3.48 H new ATOM 804 N PRO A 58 -10.539 5.008 -15.245 1.00 1.88 N ATOM 805 CA PRO A 58 -9.237 4.473 -14.883 1.00 1.93 C ATOM 806 C PRO A 58 -8.511 5.439 -13.935 1.00 1.90 C ATOM 807 O PRO A 58 -8.260 6.613 -14.232 1.00 2.16 O ATOM 808 CB PRO A 58 -8.497 4.231 -16.200 1.00 2.00 C ATOM 809 CG PRO A 58 -9.117 5.246 -17.161 1.00 2.00 C ATOM 810 CD PRO A 58 -10.527 5.498 -16.616 1.00 1.87 C ATOM 0 HA PRO A 58 -9.305 3.535 -14.332 1.00 1.93 H new ATOM 0 HB2 PRO A 58 -7.424 4.388 -16.090 1.00 2.00 H new ATOM 0 HB3 PRO A 58 -8.635 3.209 -16.554 1.00 2.00 H new ATOM 0 HG2 PRO A 58 -8.535 6.167 -17.191 1.00 2.00 H new ATOM 0 HG3 PRO A 58 -9.151 4.857 -18.179 1.00 2.00 H new ATOM 0 HD2 PRO A 58 -10.771 6.560 -16.650 1.00 1.87 H new ATOM 0 HD3 PRO A 58 -11.273 4.980 -17.219 1.00 1.87 H new ATOM 818 N ILE A 59 -8.192 4.910 -12.752 1.00 1.92 N ATOM 819 CA ILE A 59 -7.432 5.592 -11.690 1.00 2.11 C ATOM 820 C ILE A 59 -5.901 5.472 -11.929 1.00 1.75 C ATOM 821 O ILE A 59 -5.452 4.658 -12.732 1.00 2.14 O ATOM 822 CB ILE A 59 -7.877 5.040 -10.308 1.00 2.84 C ATOM 823 CG1 ILE A 59 -9.403 4.791 -10.174 1.00 3.99 C ATOM 824 CG2 ILE A 59 -7.433 6.007 -9.194 1.00 2.91 C ATOM 825 CD1 ILE A 59 -10.303 6.017 -10.391 1.00 4.12 C ATOM 0 H ILE A 59 -8.463 3.961 -12.493 1.00 1.92 H new ATOM 0 HA ILE A 59 -7.650 6.660 -11.708 1.00 2.11 H new ATOM 0 HB ILE A 59 -7.394 4.067 -10.213 1.00 2.84 H new ATOM 0 HG12 ILE A 59 -9.691 4.022 -10.891 1.00 3.99 H new ATOM 0 HG13 ILE A 59 -9.601 4.390 -9.180 1.00 3.99 H new ATOM 0 HG21 ILE A 59 -7.747 5.616 -8.226 1.00 2.91 H new ATOM 0 HG22 ILE A 59 -6.348 6.107 -9.210 1.00 2.91 H new ATOM 0 HG23 ILE A 59 -7.890 6.983 -9.356 1.00 2.91 H new ATOM 0 HD11 ILE A 59 -11.347 5.727 -10.274 1.00 4.12 H new ATOM 0 HD12 ILE A 59 -10.055 6.785 -9.658 1.00 4.12 H new ATOM 0 HD13 ILE A 59 -10.146 6.410 -11.395 1.00 4.12 H new ATOM 837 N LYS A 60 -5.066 6.271 -11.251 1.00 1.86 N ATOM 838 CA LYS A 60 -3.593 6.233 -11.380 1.00 1.85 C ATOM 839 C LYS A 60 -2.856 6.526 -10.056 1.00 1.89 C ATOM 840 O LYS A 60 -3.242 7.426 -9.317 1.00 2.73 O ATOM 841 CB LYS A 60 -3.088 7.179 -12.498 1.00 2.50 C ATOM 842 CG LYS A 60 -3.839 8.515 -12.629 1.00 3.39 C ATOM 843 CD LYS A 60 -4.970 8.452 -13.666 1.00 4.30 C ATOM 844 CE LYS A 60 -6.069 9.447 -13.296 1.00 5.36 C ATOM 845 NZ LYS A 60 -7.180 9.398 -14.269 1.00 6.29 N ATOM 0 H LYS A 60 -5.393 6.973 -10.587 1.00 1.86 H new ATOM 0 HA LYS A 60 -3.354 5.206 -11.658 1.00 1.85 H new ATOM 0 HB2 LYS A 60 -2.034 7.391 -12.320 1.00 2.50 H new ATOM 0 HB3 LYS A 60 -3.151 6.653 -13.450 1.00 2.50 H new ATOM 0 HG2 LYS A 60 -4.254 8.792 -11.660 1.00 3.39 H new ATOM 0 HG3 LYS A 60 -3.135 9.298 -12.910 1.00 3.39 H new ATOM 0 HD2 LYS A 60 -4.579 8.680 -14.658 1.00 4.30 H new ATOM 0 HD3 LYS A 60 -5.380 7.443 -13.709 1.00 4.30 H new ATOM 0 HE2 LYS A 60 -6.445 9.223 -12.298 1.00 5.36 H new ATOM 0 HE3 LYS A 60 -5.655 10.455 -13.262 1.00 5.36 H new ATOM 0 HZ1 LYS A 60 -7.913 10.083 -13.994 1.00 6.29 H new ATOM 0 HZ2 LYS A 60 -6.822 9.635 -15.216 1.00 6.29 H new ATOM 0 HZ3 LYS A 60 -7.588 8.442 -14.282 1.00 6.29 H new ATOM 859 N LEU A 61 -1.782 5.769 -9.800 1.00 1.46 N ATOM 860 CA LEU A 61 -0.880 5.834 -8.642 1.00 1.45 C ATOM 861 C LEU A 61 0.275 4.856 -8.914 1.00 1.24 C ATOM 862 O LEU A 61 0.038 3.850 -9.567 1.00 1.67 O ATOM 863 CB LEU A 61 -1.639 5.421 -7.364 1.00 1.88 C ATOM 864 CG LEU A 61 -0.942 5.832 -6.059 1.00 2.55 C ATOM 865 CD1 LEU A 61 -1.199 7.321 -5.777 1.00 2.65 C ATOM 866 CD2 LEU A 61 -1.447 4.945 -4.918 1.00 3.85 C ATOM 0 H LEU A 61 -1.498 5.036 -10.450 1.00 1.46 H new ATOM 0 HA LEU A 61 -0.501 6.846 -8.496 1.00 1.45 H new ATOM 0 HB2 LEU A 61 -2.635 5.864 -7.387 1.00 1.88 H new ATOM 0 HB3 LEU A 61 -1.772 4.339 -7.367 1.00 1.88 H new ATOM 0 HG LEU A 61 0.136 5.694 -6.148 1.00 2.55 H new ATOM 0 HD11 LEU A 61 -0.702 7.607 -4.850 1.00 2.65 H new ATOM 0 HD12 LEU A 61 -0.806 7.920 -6.599 1.00 2.65 H new ATOM 0 HD13 LEU A 61 -2.271 7.494 -5.682 1.00 2.65 H new ATOM 0 HD21 LEU A 61 -0.955 5.232 -3.989 1.00 3.85 H new ATOM 0 HD22 LEU A 61 -2.525 5.068 -4.811 1.00 3.85 H new ATOM 0 HD23 LEU A 61 -1.221 3.902 -5.140 1.00 3.85 H new ATOM 878 N VAL A 62 1.478 5.083 -8.384 1.00 1.00 N ATOM 879 CA VAL A 62 2.638 4.168 -8.465 1.00 0.99 C ATOM 880 C VAL A 62 2.991 3.660 -7.055 1.00 1.26 C ATOM 881 O VAL A 62 4.117 3.741 -6.565 1.00 2.47 O ATOM 882 CB VAL A 62 3.816 4.741 -9.303 1.00 1.35 C ATOM 883 CG1 VAL A 62 4.625 5.890 -8.688 1.00 2.42 C ATOM 884 CG2 VAL A 62 4.754 3.621 -9.777 1.00 2.66 C ATOM 0 H VAL A 62 1.688 5.937 -7.867 1.00 1.00 H new ATOM 0 HA VAL A 62 2.366 3.286 -9.045 1.00 0.99 H new ATOM 0 HB VAL A 62 3.307 5.207 -10.147 1.00 1.35 H new ATOM 0 HG11 VAL A 62 5.413 6.191 -9.379 1.00 2.42 H new ATOM 0 HG12 VAL A 62 3.966 6.737 -8.498 1.00 2.42 H new ATOM 0 HG13 VAL A 62 5.071 5.559 -7.750 1.00 2.42 H new ATOM 0 HG21 VAL A 62 5.568 4.051 -10.360 1.00 2.66 H new ATOM 0 HG22 VAL A 62 5.163 3.099 -8.912 1.00 2.66 H new ATOM 0 HG23 VAL A 62 4.197 2.917 -10.395 1.00 2.66 H new ATOM 894 N GLY A 63 1.948 3.163 -6.376 1.00 1.18 N ATOM 895 CA GLY A 63 1.999 2.574 -5.030 1.00 1.35 C ATOM 896 C GLY A 63 1.786 3.570 -3.880 1.00 0.93 C ATOM 897 O GLY A 63 1.835 4.788 -4.063 1.00 0.91 O ATOM 0 H GLY A 63 1.006 3.160 -6.766 1.00 1.18 H new ATOM 0 HA2 GLY A 63 1.240 1.794 -4.961 1.00 1.35 H new ATOM 0 HA3 GLY A 63 2.967 2.090 -4.897 1.00 1.35 H new ATOM 901 N ALA A 64 1.598 3.013 -2.681 1.00 1.14 N ATOM 902 CA ALA A 64 1.693 3.720 -1.406 1.00 1.15 C ATOM 903 C ALA A 64 3.155 3.730 -0.923 1.00 1.04 C ATOM 904 O ALA A 64 3.960 2.911 -1.362 1.00 1.18 O ATOM 905 CB ALA A 64 0.756 3.040 -0.403 1.00 1.46 C ATOM 0 H ALA A 64 1.368 2.025 -2.570 1.00 1.14 H new ATOM 0 HA ALA A 64 1.385 4.760 -1.514 1.00 1.15 H new ATOM 0 HB1 ALA A 64 0.814 3.555 0.556 1.00 1.46 H new ATOM 0 HB2 ALA A 64 -0.267 3.081 -0.776 1.00 1.46 H new ATOM 0 HB3 ALA A 64 1.054 1.999 -0.274 1.00 1.46 H new ATOM 911 N ALA A 65 3.506 4.634 -0.009 1.00 1.29 N ATOM 912 CA ALA A 65 4.879 4.853 0.466 1.00 1.30 C ATOM 913 C ALA A 65 4.899 5.360 1.920 1.00 1.21 C ATOM 914 O ALA A 65 3.856 5.707 2.482 1.00 1.30 O ATOM 915 CB ALA A 65 5.559 5.848 -0.490 1.00 1.95 C ATOM 0 H ALA A 65 2.828 5.253 0.436 1.00 1.29 H new ATOM 0 HA ALA A 65 5.426 3.910 0.467 1.00 1.30 H new ATOM 0 HB1 ALA A 65 6.582 6.029 -0.160 1.00 1.95 H new ATOM 0 HB2 ALA A 65 5.571 5.434 -1.498 1.00 1.95 H new ATOM 0 HB3 ALA A 65 5.007 6.788 -0.490 1.00 1.95 H new ATOM 921 N THR A 66 6.085 5.483 2.532 1.00 1.25 N ATOM 922 CA THR A 66 6.221 5.885 3.943 1.00 1.26 C ATOM 923 C THR A 66 7.644 6.346 4.284 1.00 1.49 C ATOM 924 O THR A 66 8.587 5.674 3.870 1.00 1.57 O ATOM 925 CB THR A 66 5.742 4.749 4.864 1.00 1.06 C ATOM 926 OG1 THR A 66 6.164 4.980 6.183 1.00 1.38 O ATOM 927 CG2 THR A 66 6.237 3.362 4.445 1.00 1.11 C ATOM 0 H THR A 66 6.976 5.308 2.067 1.00 1.25 H new ATOM 0 HA THR A 66 5.582 6.752 4.110 1.00 1.26 H new ATOM 0 HB THR A 66 4.655 4.753 4.786 1.00 1.06 H new ATOM 0 HG1 THR A 66 5.851 4.251 6.759 1.00 1.38 H new ATOM 0 HG21 THR A 66 5.858 2.615 5.142 1.00 1.11 H new ATOM 0 HG22 THR A 66 5.879 3.136 3.441 1.00 1.11 H new ATOM 0 HG23 THR A 66 7.327 3.347 4.454 1.00 1.11 H new ATOM 935 N PRO A 67 7.811 7.438 5.059 1.00 1.78 N ATOM 936 CA PRO A 67 9.097 7.812 5.638 1.00 1.95 C ATOM 937 C PRO A 67 9.380 7.086 6.964 1.00 1.63 C ATOM 938 O PRO A 67 10.526 7.076 7.412 1.00 1.56 O ATOM 939 CB PRO A 67 8.986 9.320 5.855 1.00 2.44 C ATOM 940 CG PRO A 67 7.515 9.511 6.221 1.00 2.45 C ATOM 941 CD PRO A 67 6.805 8.450 5.378 1.00 2.12 C ATOM 0 HA PRO A 67 9.924 7.534 4.985 1.00 1.95 H new ATOM 0 HB2 PRO A 67 9.647 9.662 6.651 1.00 2.44 H new ATOM 0 HB3 PRO A 67 9.253 9.877 4.957 1.00 2.44 H new ATOM 0 HG2 PRO A 67 7.342 9.361 7.287 1.00 2.45 H new ATOM 0 HG3 PRO A 67 7.167 10.516 5.980 1.00 2.45 H new ATOM 0 HD2 PRO A 67 5.972 8.011 5.927 1.00 2.12 H new ATOM 0 HD3 PRO A 67 6.392 8.888 4.469 1.00 2.12 H new ATOM 949 N LEU A 68 8.367 6.480 7.602 1.00 1.51 N ATOM 950 CA LEU A 68 8.545 5.732 8.853 1.00 1.27 C ATOM 951 C LEU A 68 9.199 4.372 8.606 1.00 1.16 C ATOM 952 O LEU A 68 10.055 3.970 9.388 1.00 1.18 O ATOM 953 CB LEU A 68 7.196 5.567 9.585 1.00 1.40 C ATOM 954 CG LEU A 68 6.457 6.875 9.945 1.00 1.66 C ATOM 955 CD1 LEU A 68 5.152 6.527 10.678 1.00 3.06 C ATOM 956 CD2 LEU A 68 7.303 7.812 10.820 1.00 2.54 C ATOM 0 H LEU A 68 7.404 6.495 7.265 1.00 1.51 H new ATOM 0 HA LEU A 68 9.216 6.308 9.491 1.00 1.27 H new ATOM 0 HB2 LEU A 68 6.538 4.961 8.961 1.00 1.40 H new ATOM 0 HB3 LEU A 68 7.370 5.006 10.504 1.00 1.40 H new ATOM 0 HG LEU A 68 6.251 7.405 9.015 1.00 1.66 H new ATOM 0 HD11 LEU A 68 4.624 7.445 10.936 1.00 3.06 H new ATOM 0 HD12 LEU A 68 4.523 5.916 10.031 1.00 3.06 H new ATOM 0 HD13 LEU A 68 5.382 5.973 11.588 1.00 3.06 H new ATOM 0 HD21 LEU A 68 6.734 8.715 11.042 1.00 2.54 H new ATOM 0 HD22 LEU A 68 7.560 7.307 11.751 1.00 2.54 H new ATOM 0 HD23 LEU A 68 8.216 8.080 10.289 1.00 2.54 H new ATOM 968 N ALA A 69 8.860 3.695 7.499 1.00 1.46 N ATOM 969 CA ALA A 69 9.565 2.478 7.114 1.00 1.58 C ATOM 970 C ALA A 69 10.965 2.826 6.587 1.00 1.59 C ATOM 971 O ALA A 69 11.118 3.447 5.532 1.00 1.71 O ATOM 972 CB ALA A 69 8.746 1.663 6.107 1.00 1.83 C ATOM 0 H ALA A 69 8.110 3.971 6.865 1.00 1.46 H new ATOM 0 HA ALA A 69 9.692 1.846 7.993 1.00 1.58 H new ATOM 0 HB1 ALA A 69 9.295 0.761 5.837 1.00 1.83 H new ATOM 0 HB2 ALA A 69 7.791 1.387 6.554 1.00 1.83 H new ATOM 0 HB3 ALA A 69 8.569 2.261 5.213 1.00 1.83 H new ATOM 978 N THR A 70 11.979 2.361 7.323 1.00 1.62 N ATOM 979 CA THR A 70 13.400 2.344 6.939 1.00 1.56 C ATOM 980 C THR A 70 13.611 1.605 5.614 1.00 1.41 C ATOM 981 O THR A 70 14.614 1.856 4.951 1.00 1.31 O ATOM 982 CB THR A 70 14.241 1.807 8.120 1.00 1.79 C ATOM 983 OG1 THR A 70 15.051 2.852 8.611 1.00 1.95 O ATOM 984 CG2 THR A 70 15.162 0.619 7.838 1.00 2.07 C ATOM 0 H THR A 70 11.827 1.965 8.251 1.00 1.62 H new ATOM 0 HA THR A 70 13.751 3.357 6.741 1.00 1.56 H new ATOM 0 HB THR A 70 13.496 1.440 8.826 1.00 1.79 H new ATOM 0 HG1 THR A 70 15.797 2.475 9.123 1.00 1.95 H new ATOM 0 HG21 THR A 70 15.692 0.345 8.750 1.00 2.07 H new ATOM 0 HG22 THR A 70 14.568 -0.228 7.495 1.00 2.07 H new ATOM 0 HG23 THR A 70 15.883 0.893 7.068 1.00 2.07 H new ATOM 992 N SER A 71 12.685 0.741 5.190 1.00 1.48 N ATOM 993 CA SER A 71 12.589 0.223 3.816 1.00 1.41 C ATOM 994 C SER A 71 11.130 -0.167 3.454 1.00 1.26 C ATOM 995 O SER A 71 10.547 -1.019 4.133 1.00 1.31 O ATOM 996 CB SER A 71 13.512 -0.995 3.640 1.00 1.42 C ATOM 997 OG SER A 71 14.851 -0.723 4.027 1.00 2.00 O ATOM 0 H SER A 71 11.961 0.371 5.806 1.00 1.48 H new ATOM 0 HA SER A 71 12.905 1.018 3.141 1.00 1.41 H new ATOM 0 HB2 SER A 71 13.128 -1.826 4.231 1.00 1.42 H new ATOM 0 HB3 SER A 71 13.496 -1.311 2.597 1.00 1.42 H new ATOM 0 HG SER A 71 14.941 0.228 4.246 1.00 2.00 H new ATOM 1003 N PRO A 72 10.502 0.432 2.416 1.00 1.24 N ATOM 1004 CA PRO A 72 9.209 -0.018 1.898 1.00 1.17 C ATOM 1005 C PRO A 72 9.400 -1.247 0.993 1.00 1.08 C ATOM 1006 O PRO A 72 10.151 -1.199 0.019 1.00 1.21 O ATOM 1007 CB PRO A 72 8.633 1.184 1.142 1.00 1.39 C ATOM 1008 CG PRO A 72 9.876 1.934 0.662 1.00 1.52 C ATOM 1009 CD PRO A 72 10.904 1.673 1.762 1.00 1.44 C ATOM 0 HA PRO A 72 8.525 -0.335 2.686 1.00 1.17 H new ATOM 0 HB2 PRO A 72 8.006 0.870 0.307 1.00 1.39 H new ATOM 0 HB3 PRO A 72 8.014 1.806 1.789 1.00 1.39 H new ATOM 0 HG2 PRO A 72 10.220 1.563 -0.303 1.00 1.52 H new ATOM 0 HG3 PRO A 72 9.679 2.999 0.542 1.00 1.52 H new ATOM 0 HD2 PRO A 72 11.907 1.584 1.343 1.00 1.44 H new ATOM 0 HD3 PRO A 72 10.928 2.497 2.475 1.00 1.44 H new ATOM 1017 N MET A 73 8.706 -2.352 1.300 1.00 1.05 N ATOM 1018 CA MET A 73 8.905 -3.673 0.676 1.00 1.04 C ATOM 1019 C MET A 73 7.597 -4.217 0.084 1.00 1.13 C ATOM 1020 O MET A 73 6.657 -4.518 0.811 1.00 1.27 O ATOM 1021 CB MET A 73 9.395 -4.661 1.749 1.00 1.17 C ATOM 1022 CG MET A 73 10.884 -5.007 1.675 1.00 1.65 C ATOM 1023 SD MET A 73 12.006 -3.648 2.065 1.00 3.54 S ATOM 1024 CE MET A 73 13.542 -4.591 2.220 1.00 4.03 C ATOM 0 H MET A 73 7.971 -2.355 2.007 1.00 1.05 H new ATOM 0 HA MET A 73 9.635 -3.563 -0.126 1.00 1.04 H new ATOM 0 HB2 MET A 73 9.183 -4.241 2.732 1.00 1.17 H new ATOM 0 HB3 MET A 73 8.818 -5.582 1.664 1.00 1.17 H new ATOM 0 HG2 MET A 73 11.084 -5.831 2.360 1.00 1.65 H new ATOM 0 HG3 MET A 73 11.108 -5.366 0.671 1.00 1.65 H new ATOM 0 HE1 MET A 73 14.362 -3.914 2.462 1.00 4.03 H new ATOM 0 HE2 MET A 73 13.436 -5.331 3.013 1.00 4.03 H new ATOM 0 HE3 MET A 73 13.755 -5.097 1.278 1.00 4.03 H new ATOM 1034 N LEU A 74 7.544 -4.394 -1.230 1.00 1.32 N ATOM 1035 CA LEU A 74 6.325 -4.753 -1.962 1.00 1.65 C ATOM 1036 C LEU A 74 6.467 -6.063 -2.754 1.00 1.79 C ATOM 1037 O LEU A 74 7.530 -6.367 -3.299 1.00 2.10 O ATOM 1038 CB LEU A 74 5.860 -3.560 -2.831 1.00 1.96 C ATOM 1039 CG LEU A 74 6.892 -2.544 -3.385 1.00 2.10 C ATOM 1040 CD1 LEU A 74 7.302 -1.453 -2.377 1.00 2.18 C ATOM 1041 CD2 LEU A 74 8.131 -3.169 -4.040 1.00 3.53 C ATOM 0 H LEU A 74 8.360 -4.291 -1.833 1.00 1.32 H new ATOM 0 HA LEU A 74 5.540 -4.959 -1.234 1.00 1.65 H new ATOM 0 HB2 LEU A 74 5.324 -3.973 -3.685 1.00 1.96 H new ATOM 0 HB3 LEU A 74 5.136 -2.996 -2.243 1.00 1.96 H new ATOM 0 HG LEU A 74 6.334 -2.059 -4.185 1.00 2.10 H new ATOM 0 HD11 LEU A 74 8.026 -0.783 -2.841 1.00 2.18 H new ATOM 0 HD12 LEU A 74 6.421 -0.885 -2.077 1.00 2.18 H new ATOM 0 HD13 LEU A 74 7.749 -1.919 -1.499 1.00 2.18 H new ATOM 0 HD21 LEU A 74 8.792 -2.379 -4.396 1.00 3.53 H new ATOM 0 HD22 LEU A 74 8.659 -3.782 -3.309 1.00 3.53 H new ATOM 0 HD23 LEU A 74 7.824 -3.791 -4.881 1.00 3.53 H new ATOM 1053 N MET A 75 5.375 -6.831 -2.839 1.00 1.75 N ATOM 1054 CA MET A 75 5.293 -8.091 -3.596 1.00 1.91 C ATOM 1055 C MET A 75 3.900 -8.281 -4.191 1.00 1.83 C ATOM 1056 O MET A 75 2.916 -8.327 -3.453 1.00 2.22 O ATOM 1057 CB MET A 75 5.620 -9.292 -2.694 1.00 2.14 C ATOM 1058 CG MET A 75 7.123 -9.553 -2.577 1.00 2.32 C ATOM 1059 SD MET A 75 7.508 -11.146 -1.796 1.00 2.92 S ATOM 1060 CE MET A 75 9.207 -11.365 -2.380 1.00 3.79 C ATOM 0 H MET A 75 4.501 -6.590 -2.373 1.00 1.75 H new ATOM 0 HA MET A 75 6.024 -8.034 -4.403 1.00 1.91 H new ATOM 0 HB2 MET A 75 5.208 -9.117 -1.700 1.00 2.14 H new ATOM 0 HB3 MET A 75 5.131 -10.182 -3.090 1.00 2.14 H new ATOM 0 HG2 MET A 75 7.569 -9.525 -3.571 1.00 2.32 H new ATOM 0 HG3 MET A 75 7.581 -8.751 -1.999 1.00 2.32 H new ATOM 0 HE1 MET A 75 9.607 -12.302 -1.993 1.00 3.79 H new ATOM 0 HE2 MET A 75 9.217 -11.388 -3.470 1.00 3.79 H new ATOM 0 HE3 MET A 75 9.822 -10.536 -2.029 1.00 3.79 H new ATOM 1070 N THR A 76 3.847 -8.414 -5.521 1.00 1.58 N ATOM 1071 CA THR A 76 2.662 -8.674 -6.342 1.00 1.61 C ATOM 1072 C THR A 76 2.754 -10.057 -6.973 1.00 1.75 C ATOM 1073 O THR A 76 3.847 -10.574 -7.223 1.00 2.25 O ATOM 1074 CB THR A 76 2.381 -7.521 -7.330 1.00 2.16 C ATOM 1075 OG1 THR A 76 1.472 -7.889 -8.335 1.00 2.87 O ATOM 1076 CG2 THR A 76 3.599 -6.965 -8.059 1.00 3.00 C ATOM 0 H THR A 76 4.690 -8.337 -6.090 1.00 1.58 H new ATOM 0 HA THR A 76 1.777 -8.695 -5.706 1.00 1.61 H new ATOM 0 HB THR A 76 1.983 -6.752 -6.668 1.00 2.16 H new ATOM 0 HG1 THR A 76 1.896 -8.533 -8.939 1.00 2.87 H new ATOM 0 HG21 THR A 76 3.288 -6.161 -8.726 1.00 3.00 H new ATOM 0 HG22 THR A 76 4.313 -6.577 -7.332 1.00 3.00 H new ATOM 0 HG23 THR A 76 4.068 -7.758 -8.641 1.00 3.00 H new ATOM 1084 N THR A 77 1.579 -10.654 -7.154 1.00 1.58 N ATOM 1085 CA THR A 77 1.278 -12.068 -7.346 1.00 1.79 C ATOM 1086 C THR A 77 0.100 -12.208 -8.315 1.00 1.78 C ATOM 1087 O THR A 77 -0.401 -11.242 -8.885 1.00 2.37 O ATOM 1088 CB THR A 77 0.979 -12.719 -5.980 1.00 2.06 C ATOM 1089 OG1 THR A 77 0.260 -11.860 -5.125 1.00 2.87 O ATOM 1090 CG2 THR A 77 2.266 -13.115 -5.254 1.00 2.91 C ATOM 0 H THR A 77 0.724 -10.098 -7.171 1.00 1.58 H new ATOM 0 HA THR A 77 2.134 -12.584 -7.781 1.00 1.79 H new ATOM 0 HB THR A 77 0.380 -13.601 -6.203 1.00 2.06 H new ATOM 0 HG1 THR A 77 0.091 -12.313 -4.273 1.00 2.87 H new ATOM 0 HG21 THR A 77 2.018 -13.570 -4.295 1.00 2.91 H new ATOM 0 HG22 THR A 77 2.822 -13.829 -5.862 1.00 2.91 H new ATOM 0 HG23 THR A 77 2.877 -12.228 -5.087 1.00 2.91 H new ATOM 1098 N THR A 78 -0.316 -13.445 -8.578 1.00 2.23 N ATOM 1099 CA THR A 78 -1.218 -13.807 -9.671 1.00 2.35 C ATOM 1100 C THR A 78 -2.656 -13.986 -9.223 1.00 2.70 C ATOM 1101 O THR A 78 -3.242 -15.060 -9.330 1.00 4.29 O ATOM 1102 CB THR A 78 -0.737 -15.043 -10.411 1.00 4.27 C ATOM 1103 OG1 THR A 78 -0.780 -16.154 -9.547 1.00 5.09 O ATOM 1104 CG2 THR A 78 0.666 -14.891 -11.004 1.00 5.42 C ATOM 0 H THR A 78 -0.026 -14.248 -8.020 1.00 2.23 H new ATOM 0 HA THR A 78 -1.200 -12.961 -10.358 1.00 2.35 H new ATOM 0 HB THR A 78 -1.411 -15.190 -11.255 1.00 4.27 H new ATOM 0 HG1 THR A 78 -1.702 -16.303 -9.251 1.00 5.09 H new ATOM 0 HG21 THR A 78 0.945 -15.811 -11.518 1.00 5.42 H new ATOM 0 HG22 THR A 78 0.674 -14.063 -11.713 1.00 5.42 H new ATOM 0 HG23 THR A 78 1.379 -14.691 -10.204 1.00 5.42 H new ATOM 1112 N HIS A 79 -3.258 -12.908 -8.769 1.00 2.31 N ATOM 1113 CA HIS A 79 -4.682 -12.882 -8.458 1.00 3.52 C ATOM 1114 C HIS A 79 -5.223 -11.457 -8.551 1.00 3.46 C ATOM 1115 O HIS A 79 -4.635 -10.540 -7.993 1.00 4.45 O ATOM 1116 CB HIS A 79 -4.958 -13.533 -7.089 1.00 4.97 C ATOM 1117 CG HIS A 79 -5.889 -14.711 -7.186 1.00 5.39 C ATOM 1118 ND1 HIS A 79 -7.256 -14.652 -7.320 1.00 6.05 N ATOM 1119 CD2 HIS A 79 -5.539 -16.036 -7.199 1.00 5.86 C ATOM 1120 CE1 HIS A 79 -7.720 -15.911 -7.396 1.00 6.64 C ATOM 1121 NE2 HIS A 79 -6.710 -16.799 -7.334 1.00 6.54 N ATOM 0 H HIS A 79 -2.780 -12.022 -8.603 1.00 2.31 H new ATOM 0 HA HIS A 79 -5.217 -13.476 -9.199 1.00 3.52 H new ATOM 0 HB2 HIS A 79 -4.015 -13.855 -6.647 1.00 4.97 H new ATOM 0 HB3 HIS A 79 -5.387 -12.790 -6.417 1.00 4.97 H new ATOM 0 HD2 HIS A 79 -4.535 -16.426 -7.119 1.00 5.86 H new ATOM 0 HE1 HIS A 79 -8.763 -16.175 -7.494 1.00 6.64 H new ATOM 0 HE2 HIS A 79 -6.781 -17.816 -7.376 1.00 6.54 H new ATOM 1129 N SER A 80 -6.321 -11.290 -9.289 1.00 3.12 N ATOM 1130 CA SER A 80 -7.137 -10.079 -9.494 1.00 3.20 C ATOM 1131 C SER A 80 -7.917 -10.177 -10.809 1.00 3.07 C ATOM 1132 O SER A 80 -7.500 -10.878 -11.731 1.00 3.53 O ATOM 1133 CB SER A 80 -6.350 -8.761 -9.469 1.00 3.19 C ATOM 1134 OG SER A 80 -6.100 -8.393 -8.135 1.00 4.46 O ATOM 0 H SER A 80 -6.705 -12.076 -9.814 1.00 3.12 H new ATOM 0 HA SER A 80 -7.814 -10.047 -8.640 1.00 3.20 H new ATOM 0 HB2 SER A 80 -5.410 -8.875 -10.009 1.00 3.19 H new ATOM 0 HB3 SER A 80 -6.915 -7.978 -9.975 1.00 3.19 H new ATOM 0 HG SER A 80 -5.349 -8.917 -7.786 1.00 4.46 H new ATOM 1140 N GLY A 81 -9.024 -9.438 -10.930 1.00 3.16 N ATOM 1141 CA GLY A 81 -9.912 -9.549 -12.094 1.00 3.46 C ATOM 1142 C GLY A 81 -9.263 -9.181 -13.429 1.00 3.17 C ATOM 1143 O GLY A 81 -9.632 -9.742 -14.458 1.00 3.88 O ATOM 0 H GLY A 81 -9.328 -8.755 -10.236 1.00 3.16 H new ATOM 0 HA2 GLY A 81 -10.282 -10.572 -12.155 1.00 3.46 H new ATOM 0 HA3 GLY A 81 -10.778 -8.906 -11.936 1.00 3.46 H new ATOM 1147 N GLY A 82 -8.290 -8.254 -13.426 1.00 2.95 N ATOM 1148 CA GLY A 82 -7.649 -7.732 -14.646 1.00 3.08 C ATOM 1149 C GLY A 82 -6.176 -7.326 -14.537 1.00 3.02 C ATOM 1150 O GLY A 82 -5.696 -6.626 -15.426 1.00 3.48 O ATOM 0 H GLY A 82 -7.923 -7.842 -12.568 1.00 2.95 H new ATOM 0 HA2 GLY A 82 -7.735 -8.490 -15.425 1.00 3.08 H new ATOM 0 HA3 GLY A 82 -8.216 -6.864 -14.982 1.00 3.08 H new ATOM 1154 N MET A 83 -5.459 -7.730 -13.482 1.00 2.71 N ATOM 1155 CA MET A 83 -4.064 -7.306 -13.231 1.00 2.71 C ATOM 1156 C MET A 83 -3.258 -8.290 -12.372 1.00 2.51 C ATOM 1157 O MET A 83 -2.364 -7.893 -11.634 1.00 2.83 O ATOM 1158 CB MET A 83 -3.997 -5.847 -12.722 1.00 2.87 C ATOM 1159 CG MET A 83 -4.615 -5.592 -11.340 1.00 4.86 C ATOM 1160 SD MET A 83 -6.419 -5.590 -11.262 1.00 7.04 S ATOM 1161 CE MET A 83 -6.567 -5.165 -9.508 1.00 9.29 C ATOM 0 H MET A 83 -5.826 -8.363 -12.771 1.00 2.71 H new ATOM 0 HA MET A 83 -3.561 -7.327 -14.198 1.00 2.71 H new ATOM 0 HB2 MET A 83 -2.952 -5.540 -12.694 1.00 2.87 H new ATOM 0 HB3 MET A 83 -4.498 -5.206 -13.447 1.00 2.87 H new ATOM 0 HG2 MET A 83 -4.243 -6.352 -10.653 1.00 4.86 H new ATOM 0 HG3 MET A 83 -4.255 -4.630 -10.976 1.00 4.86 H new ATOM 0 HE1 MET A 83 -7.101 -5.959 -8.985 1.00 9.29 H new ATOM 0 HE2 MET A 83 -5.573 -5.051 -9.076 1.00 9.29 H new ATOM 0 HE3 MET A 83 -7.117 -4.230 -9.405 1.00 9.29 H new ATOM 1171 N ALA A 84 -3.555 -9.586 -12.469 1.00 3.02 N ATOM 1172 CA ALA A 84 -2.741 -10.654 -11.879 1.00 2.84 C ATOM 1173 C ALA A 84 -1.330 -10.680 -12.509 1.00 2.64 C ATOM 1174 O ALA A 84 -1.202 -10.715 -13.736 1.00 3.14 O ATOM 1175 CB ALA A 84 -3.525 -11.960 -12.100 1.00 3.49 C ATOM 0 H ALA A 84 -4.377 -9.930 -12.965 1.00 3.02 H new ATOM 0 HA ALA A 84 -2.572 -10.501 -10.813 1.00 2.84 H new ATOM 0 HB1 ALA A 84 -2.966 -12.796 -11.679 1.00 3.49 H new ATOM 0 HB2 ALA A 84 -4.496 -11.889 -11.609 1.00 3.49 H new ATOM 0 HB3 ALA A 84 -3.670 -12.121 -13.168 1.00 3.49 H new ATOM 1181 N GLY A 85 -0.278 -10.669 -11.678 1.00 2.25 N ATOM 1182 CA GLY A 85 1.095 -10.435 -12.149 1.00 2.34 C ATOM 1183 C GLY A 85 2.182 -10.574 -11.086 1.00 1.84 C ATOM 1184 O GLY A 85 2.248 -9.816 -10.123 1.00 2.41 O ATOM 0 H GLY A 85 -0.352 -10.820 -10.672 1.00 2.25 H new ATOM 0 HA2 GLY A 85 1.309 -11.135 -12.957 1.00 2.34 H new ATOM 0 HA3 GLY A 85 1.150 -9.432 -12.573 1.00 2.34 H new ATOM 1188 N MET A 86 3.102 -11.511 -11.310 1.00 2.11 N ATOM 1189 CA MET A 86 4.228 -11.831 -10.414 1.00 1.93 C ATOM 1190 C MET A 86 5.404 -10.844 -10.564 1.00 1.96 C ATOM 1191 O MET A 86 6.145 -10.873 -11.547 1.00 2.85 O ATOM 1192 CB MET A 86 4.656 -13.301 -10.620 1.00 2.91 C ATOM 1193 CG MET A 86 5.145 -13.634 -12.042 1.00 3.99 C ATOM 1194 SD MET A 86 5.168 -15.388 -12.481 1.00 4.92 S ATOM 1195 CE MET A 86 6.478 -15.974 -11.379 1.00 5.49 C ATOM 0 H MET A 86 3.089 -12.092 -12.148 1.00 2.11 H new ATOM 0 HA MET A 86 3.890 -11.715 -9.384 1.00 1.93 H new ATOM 0 HB2 MET A 86 5.451 -13.537 -9.912 1.00 2.91 H new ATOM 0 HB3 MET A 86 3.813 -13.948 -10.379 1.00 2.91 H new ATOM 0 HG2 MET A 86 4.510 -13.109 -12.756 1.00 3.99 H new ATOM 0 HG3 MET A 86 6.153 -13.237 -12.161 1.00 3.99 H new ATOM 0 HE1 MET A 86 6.622 -17.045 -11.522 1.00 5.49 H new ATOM 0 HE2 MET A 86 7.406 -15.449 -11.606 1.00 5.49 H new ATOM 0 HE3 MET A 86 6.196 -15.781 -10.344 1.00 5.49 H new ATOM 1205 N LYS A 87 5.600 -9.949 -9.590 1.00 1.68 N ATOM 1206 CA LYS A 87 6.660 -8.921 -9.639 1.00 2.37 C ATOM 1207 C LYS A 87 7.009 -8.333 -8.256 1.00 1.21 C ATOM 1208 O LYS A 87 6.245 -8.419 -7.293 1.00 2.27 O ATOM 1209 CB LYS A 87 6.293 -7.822 -10.683 1.00 4.51 C ATOM 1210 CG LYS A 87 7.434 -7.544 -11.685 1.00 5.85 C ATOM 1211 CD LYS A 87 7.042 -6.563 -12.811 1.00 7.78 C ATOM 1212 CE LYS A 87 8.164 -6.484 -13.865 1.00 9.27 C ATOM 1213 NZ LYS A 87 7.849 -5.583 -15.006 1.00 11.24 N ATOM 0 H LYS A 87 5.032 -9.912 -8.744 1.00 1.68 H new ATOM 0 HA LYS A 87 7.576 -9.413 -9.967 1.00 2.37 H new ATOM 0 HB2 LYS A 87 5.402 -8.130 -11.230 1.00 4.51 H new ATOM 0 HB3 LYS A 87 6.042 -6.899 -10.160 1.00 4.51 H new ATOM 0 HG2 LYS A 87 8.290 -7.141 -11.145 1.00 5.85 H new ATOM 0 HG3 LYS A 87 7.753 -8.486 -12.130 1.00 5.85 H new ATOM 0 HD2 LYS A 87 6.114 -6.890 -13.281 1.00 7.78 H new ATOM 0 HD3 LYS A 87 6.856 -5.574 -12.393 1.00 7.78 H new ATOM 0 HE2 LYS A 87 9.079 -6.140 -13.384 1.00 9.27 H new ATOM 0 HE3 LYS A 87 8.362 -7.485 -14.248 1.00 9.27 H new ATOM 0 HZ1 LYS A 87 8.646 -5.578 -15.675 1.00 11.24 H new ATOM 0 HZ2 LYS A 87 6.993 -5.922 -15.490 1.00 11.24 H new ATOM 0 HZ3 LYS A 87 7.688 -4.618 -14.652 1.00 11.24 H new ATOM 1227 N MET A 88 8.163 -7.667 -8.160 1.00 1.67 N ATOM 1228 CA MET A 88 8.717 -7.053 -6.940 1.00 2.16 C ATOM 1229 C MET A 88 8.562 -5.521 -6.932 1.00 2.31 C ATOM 1230 O MET A 88 9.480 -4.812 -6.543 1.00 3.76 O ATOM 1231 CB MET A 88 10.170 -7.541 -6.743 1.00 3.55 C ATOM 1232 CG MET A 88 11.170 -7.191 -7.861 1.00 3.32 C ATOM 1233 SD MET A 88 10.963 -8.053 -9.448 1.00 4.06 S ATOM 1234 CE MET A 88 12.620 -7.784 -10.127 1.00 4.64 C ATOM 0 H MET A 88 8.770 -7.532 -8.969 1.00 1.67 H new ATOM 0 HA MET A 88 8.140 -7.380 -6.075 1.00 2.16 H new ATOM 0 HB2 MET A 88 10.545 -7.126 -5.807 1.00 3.55 H new ATOM 0 HB3 MET A 88 10.153 -8.625 -6.627 1.00 3.55 H new ATOM 0 HG2 MET A 88 11.110 -6.119 -8.047 1.00 3.32 H new ATOM 0 HG3 MET A 88 12.176 -7.395 -7.493 1.00 3.32 H new ATOM 0 HE1 MET A 88 12.689 -8.247 -11.112 1.00 4.64 H new ATOM 0 HE2 MET A 88 12.808 -6.714 -10.215 1.00 4.64 H new ATOM 0 HE3 MET A 88 13.362 -8.229 -9.464 1.00 4.64 H new ATOM 1244 N VAL A 89 7.402 -5.027 -7.385 1.00 1.64 N ATOM 1245 CA VAL A 89 7.005 -3.611 -7.564 1.00 1.60 C ATOM 1246 C VAL A 89 5.597 -3.555 -8.199 1.00 1.62 C ATOM 1247 O VAL A 89 5.355 -4.349 -9.108 1.00 1.93 O ATOM 1248 CB VAL A 89 8.025 -2.779 -8.395 1.00 2.04 C ATOM 1249 CG1 VAL A 89 8.152 -3.234 -9.860 1.00 3.33 C ATOM 1250 CG2 VAL A 89 7.734 -1.272 -8.329 1.00 2.25 C ATOM 0 H VAL A 89 6.648 -5.656 -7.661 1.00 1.64 H new ATOM 0 HA VAL A 89 6.990 -3.149 -6.577 1.00 1.60 H new ATOM 0 HB VAL A 89 8.988 -2.970 -7.921 1.00 2.04 H new ATOM 0 HG11 VAL A 89 8.881 -2.607 -10.374 1.00 3.33 H new ATOM 0 HG12 VAL A 89 8.481 -4.273 -9.891 1.00 3.33 H new ATOM 0 HG13 VAL A 89 7.184 -3.145 -10.354 1.00 3.33 H new ATOM 0 HG21 VAL A 89 8.471 -0.733 -8.924 1.00 2.25 H new ATOM 0 HG22 VAL A 89 6.737 -1.076 -8.723 1.00 2.25 H new ATOM 0 HG23 VAL A 89 7.787 -0.936 -7.293 1.00 2.25 H new ATOM 1260 N PRO A 90 4.669 -2.693 -7.735 1.00 1.62 N ATOM 1261 CA PRO A 90 3.370 -2.458 -8.370 1.00 2.05 C ATOM 1262 C PRO A 90 3.515 -1.508 -9.578 1.00 2.59 C ATOM 1263 O PRO A 90 4.598 -1.378 -10.145 1.00 3.90 O ATOM 1264 CB PRO A 90 2.491 -1.901 -7.237 1.00 2.20 C ATOM 1265 CG PRO A 90 3.490 -1.085 -6.419 1.00 1.99 C ATOM 1266 CD PRO A 90 4.734 -1.966 -6.472 1.00 1.49 C ATOM 0 HA PRO A 90 2.921 -3.355 -8.795 1.00 2.05 H new ATOM 0 HB2 PRO A 90 1.678 -1.283 -7.619 1.00 2.20 H new ATOM 0 HB3 PRO A 90 2.036 -2.697 -6.647 1.00 2.20 H new ATOM 0 HG2 PRO A 90 3.667 -0.101 -6.854 1.00 1.99 H new ATOM 0 HG3 PRO A 90 3.147 -0.924 -5.397 1.00 1.99 H new ATOM 0 HD2 PRO A 90 5.640 -1.363 -6.417 1.00 1.49 H new ATOM 0 HD3 PRO A 90 4.758 -2.655 -5.628 1.00 1.49 H new ATOM 1274 N TRP A 91 2.423 -0.854 -9.990 1.00 2.12 N ATOM 1275 CA TRP A 91 2.323 -0.101 -11.246 1.00 2.64 C ATOM 1276 C TRP A 91 1.319 1.053 -11.194 1.00 3.05 C ATOM 1277 O TRP A 91 0.301 0.992 -10.504 1.00 3.27 O ATOM 1278 CB TRP A 91 1.899 -1.043 -12.388 1.00 2.95 C ATOM 1279 CG TRP A 91 1.164 -2.281 -11.966 1.00 2.99 C ATOM 1280 CD1 TRP A 91 -0.123 -2.356 -11.563 1.00 2.83 C ATOM 1281 CD2 TRP A 91 1.720 -3.618 -11.791 1.00 3.39 C ATOM 1282 NE1 TRP A 91 -0.405 -3.652 -11.166 1.00 3.01 N ATOM 1283 CE2 TRP A 91 0.692 -4.474 -11.304 1.00 3.42 C ATOM 1284 CE3 TRP A 91 3.002 -4.179 -11.971 1.00 3.88 C ATOM 1285 CZ2 TRP A 91 0.914 -5.833 -11.046 1.00 3.93 C ATOM 1286 CZ3 TRP A 91 3.239 -5.538 -11.705 1.00 4.44 C ATOM 1287 CH2 TRP A 91 2.195 -6.369 -11.265 1.00 4.47 C ATOM 0 H TRP A 91 1.561 -0.833 -9.445 1.00 2.12 H new ATOM 0 HA TRP A 91 3.312 0.324 -11.416 1.00 2.64 H new ATOM 0 HB2 TRP A 91 1.268 -0.485 -13.080 1.00 2.95 H new ATOM 0 HB3 TRP A 91 2.791 -1.341 -12.939 1.00 2.95 H new ATOM 0 HD1 TRP A 91 -0.823 -1.533 -11.552 1.00 2.83 H new ATOM 0 HE1 TRP A 91 -1.312 -3.960 -10.815 1.00 3.01 H new ATOM 0 HE3 TRP A 91 3.812 -3.555 -12.318 1.00 3.88 H new ATOM 0 HZ2 TRP A 91 0.112 -6.460 -10.684 1.00 3.93 H new ATOM 0 HZ3 TRP A 91 4.230 -5.946 -11.840 1.00 4.44 H new ATOM 0 HH2 TRP A 91 2.377 -7.420 -11.095 1.00 4.47 H new ATOM 1298 N LEU A 92 1.566 2.050 -12.052 1.00 3.61 N ATOM 1299 CA LEU A 92 0.573 3.019 -12.513 1.00 4.30 C ATOM 1300 C LEU A 92 -0.083 2.550 -13.826 1.00 4.60 C ATOM 1301 O LEU A 92 0.521 1.779 -14.569 1.00 6.08 O ATOM 1302 CB LEU A 92 1.263 4.399 -12.587 1.00 5.59 C ATOM 1303 CG LEU A 92 0.293 5.596 -12.629 1.00 6.81 C ATOM 1304 CD1 LEU A 92 0.866 6.790 -11.846 1.00 8.09 C ATOM 1305 CD2 LEU A 92 0.079 6.088 -14.068 1.00 8.26 C ATOM 0 H LEU A 92 2.490 2.207 -12.454 1.00 3.61 H new ATOM 0 HA LEU A 92 -0.261 3.107 -11.817 1.00 4.30 H new ATOM 0 HB2 LEU A 92 1.920 4.510 -11.724 1.00 5.59 H new ATOM 0 HB3 LEU A 92 1.895 4.428 -13.475 1.00 5.59 H new ATOM 0 HG LEU A 92 -0.644 5.249 -12.194 1.00 6.81 H new ATOM 0 HD11 LEU A 92 0.165 7.623 -11.889 1.00 8.09 H new ATOM 0 HD12 LEU A 92 1.024 6.502 -10.807 1.00 8.09 H new ATOM 0 HD13 LEU A 92 1.816 7.092 -12.287 1.00 8.09 H new ATOM 0 HD21 LEU A 92 -0.610 6.933 -14.065 1.00 8.26 H new ATOM 0 HD22 LEU A 92 1.034 6.400 -14.492 1.00 8.26 H new ATOM 0 HD23 LEU A 92 -0.339 5.281 -14.670 1.00 8.26 H new ATOM 1317 N THR A 93 -1.324 3.020 -14.044 1.00 3.88 N ATOM 1318 CA THR A 93 -2.268 2.749 -15.140 1.00 4.20 C ATOM 1319 C THR A 93 -2.867 1.359 -15.012 1.00 3.92 C ATOM 1320 O THR A 93 -2.186 0.336 -15.070 1.00 4.37 O ATOM 1321 CB THR A 93 -1.637 3.029 -16.499 1.00 5.29 C ATOM 1322 OG1 THR A 93 -1.632 4.427 -16.639 1.00 5.68 O ATOM 1323 CG2 THR A 93 -2.409 2.460 -17.693 1.00 6.08 C ATOM 0 H THR A 93 -1.735 3.674 -13.378 1.00 3.88 H new ATOM 0 HA THR A 93 -3.105 3.442 -15.061 1.00 4.20 H new ATOM 0 HB THR A 93 -0.655 2.557 -16.512 1.00 5.29 H new ATOM 0 HG1 THR A 93 -1.233 4.668 -17.501 1.00 5.68 H new ATOM 0 HG21 THR A 93 -1.886 2.708 -18.616 1.00 6.08 H new ATOM 0 HG22 THR A 93 -2.481 1.377 -17.597 1.00 6.08 H new ATOM 0 HG23 THR A 93 -3.411 2.889 -17.717 1.00 6.08 H new ATOM 1331 N ILE A 94 -4.189 1.343 -14.851 1.00 3.55 N ATOM 1332 CA ILE A 94 -5.026 0.167 -14.593 1.00 3.43 C ATOM 1333 C ILE A 94 -6.322 0.216 -15.432 1.00 2.76 C ATOM 1334 O ILE A 94 -6.667 1.288 -15.935 1.00 2.83 O ATOM 1335 CB ILE A 94 -5.311 0.057 -13.071 1.00 3.74 C ATOM 1336 CG1 ILE A 94 -5.796 1.351 -12.388 1.00 3.67 C ATOM 1337 CG2 ILE A 94 -4.046 -0.445 -12.351 1.00 5.27 C ATOM 1338 CD1 ILE A 94 -7.188 1.825 -12.800 1.00 4.22 C ATOM 0 H ILE A 94 -4.740 2.200 -14.900 1.00 3.55 H new ATOM 0 HA ILE A 94 -4.493 -0.733 -14.901 1.00 3.43 H new ATOM 0 HB ILE A 94 -6.141 -0.645 -12.987 1.00 3.74 H new ATOM 0 HG12 ILE A 94 -5.787 1.198 -11.309 1.00 3.67 H new ATOM 0 HG13 ILE A 94 -5.081 2.145 -12.603 1.00 3.67 H new ATOM 0 HG21 ILE A 94 -4.243 -0.523 -11.282 1.00 5.27 H new ATOM 0 HG22 ILE A 94 -3.769 -1.424 -12.742 1.00 5.27 H new ATOM 0 HG23 ILE A 94 -3.229 0.257 -12.519 1.00 5.27 H new ATOM 0 HD11 ILE A 94 -7.434 2.741 -12.263 1.00 4.22 H new ATOM 0 HD12 ILE A 94 -7.204 2.017 -13.873 1.00 4.22 H new ATOM 0 HD13 ILE A 94 -7.921 1.055 -12.558 1.00 4.22 H new ATOM 1350 N PRO A 95 -7.056 -0.906 -15.585 1.00 2.54 N ATOM 1351 CA PRO A 95 -8.317 -0.949 -16.322 1.00 2.49 C ATOM 1352 C PRO A 95 -9.448 -0.260 -15.548 1.00 1.67 C ATOM 1353 O PRO A 95 -9.474 -0.282 -14.314 1.00 1.89 O ATOM 1354 CB PRO A 95 -8.640 -2.432 -16.547 1.00 3.24 C ATOM 1355 CG PRO A 95 -7.377 -3.186 -16.123 1.00 3.43 C ATOM 1356 CD PRO A 95 -6.727 -2.245 -15.115 1.00 2.94 C ATOM 0 HA PRO A 95 -8.224 -0.414 -17.267 1.00 2.49 H new ATOM 0 HB2 PRO A 95 -9.501 -2.742 -15.955 1.00 3.24 H new ATOM 0 HB3 PRO A 95 -8.884 -2.628 -17.591 1.00 3.24 H new ATOM 0 HG2 PRO A 95 -7.616 -4.151 -15.676 1.00 3.43 H new ATOM 0 HG3 PRO A 95 -6.721 -3.381 -16.972 1.00 3.43 H new ATOM 0 HD2 PRO A 95 -7.112 -2.416 -14.110 1.00 2.94 H new ATOM 0 HD3 PRO A 95 -5.648 -2.395 -15.073 1.00 2.94 H new ATOM 1364 N ALA A 96 -10.447 0.254 -16.272 1.00 2.09 N ATOM 1365 CA ALA A 96 -11.585 0.986 -15.701 1.00 1.77 C ATOM 1366 C ALA A 96 -12.448 0.156 -14.752 1.00 1.75 C ATOM 1367 O ALA A 96 -13.006 0.724 -13.813 1.00 2.98 O ATOM 1368 CB ALA A 96 -12.414 1.585 -16.845 1.00 2.22 C ATOM 0 H ALA A 96 -10.490 0.173 -17.288 1.00 2.09 H new ATOM 0 HA ALA A 96 -11.182 1.781 -15.074 1.00 1.77 H new ATOM 0 HB1 ALA A 96 -13.262 2.131 -16.432 1.00 2.22 H new ATOM 0 HB2 ALA A 96 -11.793 2.266 -17.427 1.00 2.22 H new ATOM 0 HB3 ALA A 96 -12.777 0.784 -17.489 1.00 2.22 H new ATOM 1374 N ARG A 97 -12.500 -1.169 -14.942 1.00 1.69 N ATOM 1375 CA ARG A 97 -13.076 -2.122 -13.981 1.00 1.64 C ATOM 1376 C ARG A 97 -12.030 -3.038 -13.302 1.00 1.62 C ATOM 1377 O ARG A 97 -12.378 -4.153 -12.901 1.00 2.08 O ATOM 1378 CB ARG A 97 -14.182 -3.002 -14.605 1.00 1.99 C ATOM 1379 CG ARG A 97 -15.336 -2.278 -15.304 1.00 2.25 C ATOM 1380 CD ARG A 97 -15.019 -1.941 -16.765 1.00 3.03 C ATOM 1381 NE ARG A 97 -16.226 -2.045 -17.592 1.00 3.85 N ATOM 1382 CZ ARG A 97 -17.216 -1.168 -17.650 1.00 5.23 C ATOM 1383 NH1 ARG A 97 -17.221 -0.070 -16.926 1.00 6.40 N ATOM 1384 NH2 ARG A 97 -18.238 -1.415 -18.440 1.00 6.09 N ATOM 0 H ARG A 97 -12.137 -1.618 -15.783 1.00 1.69 H new ATOM 0 HA ARG A 97 -13.513 -1.484 -13.213 1.00 1.64 H new ATOM 0 HB2 ARG A 97 -13.715 -3.671 -15.328 1.00 1.99 H new ATOM 0 HB3 ARG A 97 -14.602 -3.627 -13.817 1.00 1.99 H new ATOM 0 HG2 ARG A 97 -16.229 -2.902 -15.264 1.00 2.25 H new ATOM 0 HG3 ARG A 97 -15.564 -1.359 -14.764 1.00 2.25 H new ATOM 0 HD2 ARG A 97 -14.612 -0.932 -16.831 1.00 3.03 H new ATOM 0 HD3 ARG A 97 -14.253 -2.619 -17.142 1.00 3.03 H new ATOM 0 HE ARG A 97 -16.311 -2.874 -18.180 1.00 3.85 H new ATOM 0 HH11 ARG A 97 -16.445 0.128 -16.294 1.00 6.40 H new ATOM 0 HH12 ARG A 97 -18.001 0.584 -16.996 1.00 6.40 H new ATOM 0 HH21 ARG A 97 -18.259 -2.271 -18.995 1.00 6.09 H new ATOM 0 HH22 ARG A 97 -19.010 -0.751 -18.498 1.00 6.09 H new ATOM 1398 N GLY A 98 -10.758 -2.626 -13.195 1.00 1.44 N ATOM 1399 CA GLY A 98 -9.710 -3.454 -12.577 1.00 1.54 C ATOM 1400 C GLY A 98 -9.297 -2.844 -11.250 1.00 1.77 C ATOM 1401 O GLY A 98 -9.415 -3.489 -10.215 1.00 2.53 O ATOM 0 H GLY A 98 -10.429 -1.721 -13.530 1.00 1.44 H new ATOM 0 HA2 GLY A 98 -10.077 -4.469 -12.424 1.00 1.54 H new ATOM 0 HA3 GLY A 98 -8.848 -3.523 -13.241 1.00 1.54 H new ATOM 1405 N THR A 99 -8.891 -1.571 -11.347 1.00 2.42 N ATOM 1406 CA THR A 99 -8.451 -0.657 -10.291 1.00 3.20 C ATOM 1407 C THR A 99 -7.025 -0.944 -9.844 1.00 3.10 C ATOM 1408 O THR A 99 -6.437 -1.971 -10.163 1.00 3.38 O ATOM 1409 CB THR A 99 -9.451 -0.547 -9.126 1.00 3.99 C ATOM 1410 OG1 THR A 99 -9.465 0.815 -8.768 1.00 5.36 O ATOM 1411 CG2 THR A 99 -9.140 -1.362 -7.865 1.00 3.79 C ATOM 0 H THR A 99 -8.861 -1.113 -12.258 1.00 2.42 H new ATOM 0 HA THR A 99 -8.433 0.339 -10.734 1.00 3.20 H new ATOM 0 HB THR A 99 -10.396 -0.955 -9.485 1.00 3.99 H new ATOM 0 HG1 THR A 99 -9.766 0.906 -7.840 1.00 5.36 H new ATOM 0 HG21 THR A 99 -9.921 -1.196 -7.123 1.00 3.79 H new ATOM 0 HG22 THR A 99 -9.099 -2.422 -8.117 1.00 3.79 H new ATOM 0 HG23 THR A 99 -8.179 -1.049 -7.457 1.00 3.79 H new ATOM 1419 N LEU A 100 -6.462 0.041 -9.155 1.00 2.94 N ATOM 1420 CA LEU A 100 -5.147 -0.038 -8.500 1.00 2.94 C ATOM 1421 C LEU A 100 -5.328 -0.460 -7.032 1.00 2.82 C ATOM 1422 O LEU A 100 -6.197 0.063 -6.321 1.00 2.67 O ATOM 1423 CB LEU A 100 -4.327 1.257 -8.751 1.00 3.19 C ATOM 1424 CG LEU A 100 -4.746 2.505 -7.949 1.00 4.19 C ATOM 1425 CD1 LEU A 100 -4.010 2.600 -6.603 1.00 4.96 C ATOM 1426 CD2 LEU A 100 -4.418 3.748 -8.782 1.00 5.46 C ATOM 0 H LEU A 100 -6.915 0.946 -9.028 1.00 2.94 H new ATOM 0 HA LEU A 100 -4.530 -0.820 -8.943 1.00 2.94 H new ATOM 0 HB2 LEU A 100 -3.281 1.046 -8.531 1.00 3.19 H new ATOM 0 HB3 LEU A 100 -4.387 1.498 -9.812 1.00 3.19 H new ATOM 0 HG LEU A 100 -5.814 2.435 -7.741 1.00 4.19 H new ATOM 0 HD11 LEU A 100 -4.336 3.494 -6.072 1.00 4.96 H new ATOM 0 HD12 LEU A 100 -4.235 1.719 -6.002 1.00 4.96 H new ATOM 0 HD13 LEU A 100 -2.936 2.654 -6.779 1.00 4.96 H new ATOM 0 HD21 LEU A 100 -4.708 4.642 -8.230 1.00 5.46 H new ATOM 0 HD22 LEU A 100 -3.348 3.778 -8.985 1.00 5.46 H new ATOM 0 HD23 LEU A 100 -4.965 3.710 -9.724 1.00 5.46 H new ATOM 1438 N THR A 101 -4.508 -1.422 -6.600 1.00 2.95 N ATOM 1439 CA THR A 101 -4.706 -2.218 -5.384 1.00 2.78 C ATOM 1440 C THR A 101 -3.338 -2.542 -4.786 1.00 2.73 C ATOM 1441 O THR A 101 -2.353 -2.550 -5.515 1.00 3.41 O ATOM 1442 CB THR A 101 -5.452 -3.509 -5.765 1.00 2.89 C ATOM 1443 OG1 THR A 101 -6.606 -3.181 -6.500 1.00 3.59 O ATOM 1444 CG2 THR A 101 -5.957 -4.297 -4.562 1.00 3.15 C ATOM 0 H THR A 101 -3.659 -1.677 -7.104 1.00 2.95 H new ATOM 0 HA THR A 101 -5.293 -1.671 -4.647 1.00 2.78 H new ATOM 0 HB THR A 101 -4.731 -4.109 -6.321 1.00 2.89 H new ATOM 0 HG1 THR A 101 -7.082 -4.002 -6.745 1.00 3.59 H new ATOM 0 HG21 THR A 101 -6.473 -5.194 -4.905 1.00 3.15 H new ATOM 0 HG22 THR A 101 -5.113 -4.581 -3.933 1.00 3.15 H new ATOM 0 HG23 THR A 101 -6.647 -3.680 -3.986 1.00 3.15 H new ATOM 1452 N LEU A 102 -3.282 -2.776 -3.472 1.00 2.26 N ATOM 1453 CA LEU A 102 -2.152 -3.374 -2.749 1.00 2.22 C ATOM 1454 C LEU A 102 -2.710 -4.291 -1.642 1.00 1.76 C ATOM 1455 O LEU A 102 -2.763 -3.914 -0.463 1.00 1.70 O ATOM 1456 CB LEU A 102 -1.209 -2.300 -2.156 1.00 2.83 C ATOM 1457 CG LEU A 102 -0.592 -1.278 -3.131 1.00 3.54 C ATOM 1458 CD1 LEU A 102 0.077 -0.149 -2.332 1.00 4.90 C ATOM 1459 CD2 LEU A 102 0.471 -1.888 -4.056 1.00 4.11 C ATOM 0 H LEU A 102 -4.059 -2.543 -2.853 1.00 2.26 H new ATOM 0 HA LEU A 102 -1.552 -3.956 -3.449 1.00 2.22 H new ATOM 0 HB2 LEU A 102 -1.763 -1.748 -1.397 1.00 2.83 H new ATOM 0 HB3 LEU A 102 -0.394 -2.813 -1.646 1.00 2.83 H new ATOM 0 HG LEU A 102 -1.411 -0.912 -3.750 1.00 3.54 H new ATOM 0 HD11 LEU A 102 0.514 0.574 -3.020 1.00 4.90 H new ATOM 0 HD12 LEU A 102 -0.668 0.347 -1.709 1.00 4.90 H new ATOM 0 HD13 LEU A 102 0.860 -0.566 -1.699 1.00 4.90 H new ATOM 0 HD21 LEU A 102 0.865 -1.116 -4.717 1.00 4.11 H new ATOM 0 HD22 LEU A 102 1.282 -2.300 -3.456 1.00 4.11 H new ATOM 0 HD23 LEU A 102 0.022 -2.682 -4.653 1.00 4.11 H new ATOM 1471 N GLN A 103 -3.171 -5.491 -2.006 1.00 1.78 N ATOM 1472 CA GLN A 103 -3.807 -6.474 -1.112 1.00 1.85 C ATOM 1473 C GLN A 103 -3.111 -7.825 -1.183 1.00 1.94 C ATOM 1474 O GLN A 103 -2.380 -8.106 -2.129 1.00 1.98 O ATOM 1475 CB GLN A 103 -5.293 -6.705 -1.453 1.00 2.34 C ATOM 1476 CG GLN A 103 -6.179 -5.474 -1.219 1.00 2.53 C ATOM 1477 CD GLN A 103 -6.232 -5.081 0.255 1.00 2.50 C ATOM 1478 OE1 GLN A 103 -7.020 -5.569 1.048 1.00 2.41 O ATOM 1479 NE2 GLN A 103 -5.383 -4.192 0.700 1.00 3.79 N ATOM 0 H GLN A 103 -3.111 -5.821 -2.969 1.00 1.78 H new ATOM 0 HA GLN A 103 -3.722 -6.050 -0.111 1.00 1.85 H new ATOM 0 HB2 GLN A 103 -5.374 -7.007 -2.497 1.00 2.34 H new ATOM 0 HB3 GLN A 103 -5.670 -7.532 -0.852 1.00 2.34 H new ATOM 0 HG2 GLN A 103 -5.799 -4.637 -1.804 1.00 2.53 H new ATOM 0 HG3 GLN A 103 -7.188 -5.680 -1.576 1.00 2.53 H new ATOM 0 HE21 GLN A 103 -4.711 -3.765 0.063 1.00 3.79 H new ATOM 0 HE22 GLN A 103 -5.393 -3.926 1.685 1.00 3.79 H new ATOM 1488 N ARG A 104 -3.361 -8.697 -0.197 1.00 2.18 N ATOM 1489 CA ARG A 104 -2.774 -10.042 -0.169 1.00 2.48 C ATOM 1490 C ARG A 104 -3.331 -10.958 -1.266 1.00 2.87 C ATOM 1491 O ARG A 104 -2.818 -12.052 -1.489 1.00 3.18 O ATOM 1492 CB ARG A 104 -2.944 -10.650 1.229 1.00 2.69 C ATOM 1493 CG ARG A 104 -1.807 -11.632 1.529 1.00 3.05 C ATOM 1494 CD ARG A 104 -1.882 -12.181 2.953 1.00 3.00 C ATOM 1495 NE ARG A 104 -0.532 -12.574 3.384 1.00 3.58 N ATOM 1496 CZ ARG A 104 -0.200 -13.236 4.482 1.00 3.97 C ATOM 1497 NH1 ARG A 104 -1.092 -13.795 5.274 1.00 3.77 N ATOM 1498 NH2 ARG A 104 1.071 -13.364 4.790 1.00 5.29 N ATOM 0 H ARG A 104 -3.969 -8.492 0.596 1.00 2.18 H new ATOM 0 HA ARG A 104 -1.710 -9.948 -0.385 1.00 2.48 H new ATOM 0 HB2 ARG A 104 -2.955 -9.858 1.978 1.00 2.69 H new ATOM 0 HB3 ARG A 104 -3.903 -11.164 1.294 1.00 2.69 H new ATOM 0 HG2 ARG A 104 -1.846 -12.459 0.820 1.00 3.05 H new ATOM 0 HG3 ARG A 104 -0.849 -11.132 1.384 1.00 3.05 H new ATOM 0 HD2 ARG A 104 -2.288 -11.427 3.627 1.00 3.00 H new ATOM 0 HD3 ARG A 104 -2.554 -13.038 2.992 1.00 3.00 H new ATOM 0 HE ARG A 104 0.235 -12.306 2.768 1.00 3.58 H new ATOM 0 HH11 ARG A 104 -2.085 -13.728 5.051 1.00 3.77 H new ATOM 0 HH12 ARG A 104 -0.790 -14.295 6.110 1.00 3.77 H new ATOM 0 HH21 ARG A 104 1.785 -12.956 4.187 1.00 5.29 H new ATOM 0 HH22 ARG A 104 1.343 -13.871 5.632 1.00 5.29 H new ATOM 1512 N ASP A 105 -4.379 -10.514 -1.958 1.00 3.01 N ATOM 1513 CA ASP A 105 -4.899 -11.100 -3.192 1.00 3.43 C ATOM 1514 C ASP A 105 -3.802 -11.118 -4.276 1.00 3.08 C ATOM 1515 O ASP A 105 -3.385 -12.200 -4.707 1.00 2.92 O ATOM 1516 CB ASP A 105 -6.149 -10.327 -3.663 1.00 3.96 C ATOM 1517 CG ASP A 105 -7.321 -10.443 -2.680 1.00 4.13 C ATOM 1518 OD1 ASP A 105 -7.296 -9.748 -1.647 1.00 4.37 O ATOM 1519 OD2 ASP A 105 -8.238 -11.276 -2.959 1.00 4.63 O ATOM 0 H ASP A 105 -4.913 -9.698 -1.660 1.00 3.01 H new ATOM 0 HA ASP A 105 -5.197 -12.131 -3.002 1.00 3.43 H new ATOM 0 HB2 ASP A 105 -5.893 -9.276 -3.795 1.00 3.96 H new ATOM 0 HB3 ASP A 105 -6.459 -10.704 -4.638 1.00 3.96 H new ATOM 1524 N GLY A 106 -3.295 -9.931 -4.651 1.00 3.16 N ATOM 1525 CA GLY A 106 -2.466 -9.745 -5.838 1.00 3.26 C ATOM 1526 C GLY A 106 -1.260 -8.828 -5.731 1.00 3.21 C ATOM 1527 O GLY A 106 -0.496 -8.863 -6.672 1.00 3.73 O ATOM 0 H GLY A 106 -3.455 -9.070 -4.128 1.00 3.16 H new ATOM 0 HA2 GLY A 106 -2.112 -10.726 -6.155 1.00 3.26 H new ATOM 0 HA3 GLY A 106 -3.105 -9.364 -6.635 1.00 3.26 H new ATOM 1531 N ASP A 107 -1.042 -8.039 -4.672 1.00 2.82 N ATOM 1532 CA ASP A 107 -0.231 -6.803 -4.788 1.00 3.24 C ATOM 1533 C ASP A 107 0.220 -6.138 -3.464 1.00 2.33 C ATOM 1534 O ASP A 107 0.586 -4.971 -3.439 1.00 3.10 O ATOM 1535 CB ASP A 107 -0.867 -5.835 -5.828 1.00 4.35 C ATOM 1536 CG ASP A 107 -2.402 -5.776 -5.823 1.00 5.81 C ATOM 1537 OD1 ASP A 107 -2.988 -5.805 -4.718 1.00 6.38 O ATOM 1538 OD2 ASP A 107 -3.005 -5.723 -6.920 1.00 7.16 O ATOM 0 H ASP A 107 -1.405 -8.222 -3.737 1.00 2.82 H new ATOM 0 HA ASP A 107 0.738 -7.120 -5.174 1.00 3.24 H new ATOM 0 HB2 ASP A 107 -0.481 -4.832 -5.648 1.00 4.35 H new ATOM 0 HB3 ASP A 107 -0.535 -6.130 -6.823 1.00 4.35 H new ATOM 1543 N HIS A 108 0.228 -6.860 -2.339 1.00 1.88 N ATOM 1544 CA HIS A 108 0.452 -6.270 -1.005 1.00 1.44 C ATOM 1545 C HIS A 108 1.821 -5.604 -0.746 1.00 1.36 C ATOM 1546 O HIS A 108 2.821 -5.880 -1.406 1.00 1.52 O ATOM 1547 CB HIS A 108 0.160 -7.301 0.102 1.00 1.53 C ATOM 1548 CG HIS A 108 1.124 -8.459 0.230 1.00 2.05 C ATOM 1549 ND1 HIS A 108 1.993 -8.928 -0.730 1.00 3.14 N ATOM 1550 CD2 HIS A 108 1.263 -9.261 1.331 1.00 2.43 C ATOM 1551 CE1 HIS A 108 2.629 -9.995 -0.215 1.00 3.51 C ATOM 1552 NE2 HIS A 108 2.215 -10.240 1.043 1.00 3.01 N ATOM 0 H HIS A 108 0.080 -7.869 -2.322 1.00 1.88 H new ATOM 0 HA HIS A 108 -0.256 -5.442 -0.982 1.00 1.44 H new ATOM 0 HB2 HIS A 108 0.133 -6.775 1.056 1.00 1.53 H new ATOM 0 HB3 HIS A 108 -0.837 -7.707 -0.067 1.00 1.53 H new ATOM 0 HD1 HIS A 108 2.129 -8.537 -1.662 1.00 3.14 H new ATOM 0 HD2 HIS A 108 0.728 -9.154 2.263 1.00 2.43 H new ATOM 0 HE1 HIS A 108 3.372 -10.577 -0.740 1.00 3.51 H new ATOM 1560 N VAL A 109 1.874 -4.768 0.298 1.00 1.30 N ATOM 1561 CA VAL A 109 3.101 -4.114 0.782 1.00 1.26 C ATOM 1562 C VAL A 109 3.336 -4.404 2.283 1.00 1.27 C ATOM 1563 O VAL A 109 2.412 -4.506 3.099 1.00 1.41 O ATOM 1564 CB VAL A 109 3.051 -2.589 0.457 1.00 1.28 C ATOM 1565 CG1 VAL A 109 1.934 -1.846 1.212 1.00 2.12 C ATOM 1566 CG2 VAL A 109 4.387 -1.876 0.710 1.00 1.63 C ATOM 0 H VAL A 109 1.048 -4.520 0.843 1.00 1.30 H new ATOM 0 HA VAL A 109 3.962 -4.531 0.259 1.00 1.26 H new ATOM 0 HB VAL A 109 2.833 -2.551 -0.610 1.00 1.28 H new ATOM 0 HG11 VAL A 109 1.953 -0.790 0.942 1.00 2.12 H new ATOM 0 HG12 VAL A 109 0.967 -2.272 0.943 1.00 2.12 H new ATOM 0 HG13 VAL A 109 2.090 -1.949 2.286 1.00 2.12 H new ATOM 0 HG21 VAL A 109 4.287 -0.819 0.465 1.00 1.63 H new ATOM 0 HG22 VAL A 109 4.663 -1.981 1.759 1.00 1.63 H new ATOM 0 HG23 VAL A 109 5.161 -2.321 0.085 1.00 1.63 H new ATOM 1576 N MET A 110 4.618 -4.524 2.620 1.00 1.18 N ATOM 1577 CA MET A 110 5.206 -4.623 3.947 1.00 1.08 C ATOM 1578 C MET A 110 6.049 -3.373 4.245 1.00 1.13 C ATOM 1579 O MET A 110 6.765 -2.820 3.404 1.00 1.28 O ATOM 1580 CB MET A 110 6.096 -5.870 4.048 1.00 1.02 C ATOM 1581 CG MET A 110 5.293 -7.169 3.930 1.00 1.85 C ATOM 1582 SD MET A 110 6.233 -8.673 4.314 1.00 1.65 S ATOM 1583 CE MET A 110 7.331 -8.749 2.876 1.00 3.63 C ATOM 0 H MET A 110 5.338 -4.557 1.898 1.00 1.18 H new ATOM 0 HA MET A 110 4.398 -4.700 4.675 1.00 1.08 H new ATOM 0 HB2 MET A 110 6.851 -5.839 3.262 1.00 1.02 H new ATOM 0 HB3 MET A 110 6.627 -5.859 5.000 1.00 1.02 H new ATOM 0 HG2 MET A 110 4.434 -7.112 4.599 1.00 1.85 H new ATOM 0 HG3 MET A 110 4.903 -7.249 2.915 1.00 1.85 H new ATOM 0 HE1 MET A 110 7.966 -9.632 2.949 1.00 3.63 H new ATOM 0 HE2 MET A 110 6.735 -8.805 1.965 1.00 3.63 H new ATOM 0 HE3 MET A 110 7.954 -7.855 2.847 1.00 3.63 H new ATOM 1593 N LEU A 111 5.942 -2.935 5.499 1.00 1.11 N ATOM 1594 CA LEU A 111 6.602 -1.773 6.059 1.00 1.19 C ATOM 1595 C LEU A 111 7.728 -2.282 6.932 1.00 1.19 C ATOM 1596 O LEU A 111 7.494 -2.560 8.114 1.00 1.29 O ATOM 1597 CB LEU A 111 5.586 -0.861 6.786 1.00 1.30 C ATOM 1598 CG LEU A 111 4.816 0.075 5.819 1.00 1.39 C ATOM 1599 CD1 LEU A 111 3.888 -0.631 4.820 1.00 2.57 C ATOM 1600 CD2 LEU A 111 4.006 1.081 6.647 1.00 2.30 C ATOM 0 H LEU A 111 5.357 -3.414 6.184 1.00 1.11 H new ATOM 0 HA LEU A 111 7.031 -1.133 5.288 1.00 1.19 H new ATOM 0 HB2 LEU A 111 4.872 -1.481 7.329 1.00 1.30 H new ATOM 0 HB3 LEU A 111 6.112 -0.258 7.526 1.00 1.30 H new ATOM 0 HG LEU A 111 5.575 0.562 5.207 1.00 1.39 H new ATOM 0 HD11 LEU A 111 3.398 0.112 4.191 1.00 2.57 H new ATOM 0 HD12 LEU A 111 4.472 -1.307 4.195 1.00 2.57 H new ATOM 0 HD13 LEU A 111 3.134 -1.200 5.364 1.00 2.57 H new ATOM 0 HD21 LEU A 111 3.459 1.746 5.978 1.00 2.30 H new ATOM 0 HD22 LEU A 111 3.301 0.545 7.282 1.00 2.30 H new ATOM 0 HD23 LEU A 111 4.682 1.668 7.269 1.00 2.30 H new ATOM 1612 N MET A 112 8.920 -2.466 6.338 1.00 1.17 N ATOM 1613 CA MET A 112 10.108 -2.931 7.061 1.00 1.26 C ATOM 1614 C MET A 112 10.870 -1.766 7.704 1.00 1.54 C ATOM 1615 O MET A 112 11.057 -0.680 7.147 1.00 1.75 O ATOM 1616 CB MET A 112 11.001 -3.786 6.145 1.00 1.23 C ATOM 1617 CG MET A 112 12.173 -4.410 6.924 1.00 1.60 C ATOM 1618 SD MET A 112 13.154 -5.620 6.004 1.00 1.74 S ATOM 1619 CE MET A 112 12.118 -7.084 6.246 1.00 2.74 C ATOM 0 H MET A 112 9.083 -2.296 5.346 1.00 1.17 H new ATOM 0 HA MET A 112 9.781 -3.570 7.881 1.00 1.26 H new ATOM 0 HB2 MET A 112 10.405 -4.576 5.688 1.00 1.23 H new ATOM 0 HB3 MET A 112 11.389 -3.169 5.334 1.00 1.23 H new ATOM 0 HG2 MET A 112 12.833 -3.610 7.258 1.00 1.60 H new ATOM 0 HG3 MET A 112 11.778 -4.891 7.819 1.00 1.60 H new ATOM 0 HE1 MET A 112 12.571 -7.938 5.742 1.00 2.74 H new ATOM 0 HE2 MET A 112 12.030 -7.296 7.312 1.00 2.74 H new ATOM 0 HE3 MET A 112 11.127 -6.901 5.830 1.00 2.74 H new ATOM 1629 N GLY A 113 11.319 -2.008 8.940 1.00 1.57 N ATOM 1630 CA GLY A 113 12.017 -1.022 9.762 1.00 1.84 C ATOM 1631 C GLY A 113 11.054 0.089 10.175 1.00 1.98 C ATOM 1632 O GLY A 113 11.267 1.229 9.797 1.00 2.49 O ATOM 0 H GLY A 113 11.204 -2.910 9.402 1.00 1.57 H new ATOM 0 HA2 GLY A 113 12.432 -1.503 10.648 1.00 1.84 H new ATOM 0 HA3 GLY A 113 12.855 -0.601 9.206 1.00 1.84 H new ATOM 1636 N LEU A 114 10.011 -0.259 10.933 1.00 1.72 N ATOM 1637 CA LEU A 114 8.919 0.626 11.381 1.00 1.97 C ATOM 1638 C LEU A 114 9.345 1.882 12.164 1.00 2.45 C ATOM 1639 O LEU A 114 8.668 2.901 12.087 1.00 4.56 O ATOM 1640 CB LEU A 114 7.990 -0.241 12.251 1.00 1.94 C ATOM 1641 CG LEU A 114 8.662 -0.715 13.566 1.00 2.66 C ATOM 1642 CD1 LEU A 114 8.141 0.063 14.786 1.00 4.40 C ATOM 1643 CD2 LEU A 114 8.374 -2.198 13.798 1.00 3.59 C ATOM 0 H LEU A 114 9.894 -1.214 11.271 1.00 1.72 H new ATOM 0 HA LEU A 114 8.440 1.029 10.489 1.00 1.97 H new ATOM 0 HB2 LEU A 114 7.092 0.328 12.492 1.00 1.94 H new ATOM 0 HB3 LEU A 114 7.672 -1.112 11.677 1.00 1.94 H new ATOM 0 HG LEU A 114 9.732 -0.538 13.458 1.00 2.66 H new ATOM 0 HD11 LEU A 114 8.636 -0.299 15.687 1.00 4.40 H new ATOM 0 HD12 LEU A 114 8.352 1.125 14.658 1.00 4.40 H new ATOM 0 HD13 LEU A 114 7.065 -0.085 14.879 1.00 4.40 H new ATOM 0 HD21 LEU A 114 8.850 -2.521 14.724 1.00 3.59 H new ATOM 0 HD22 LEU A 114 7.297 -2.353 13.871 1.00 3.59 H new ATOM 0 HD23 LEU A 114 8.769 -2.780 12.965 1.00 3.59 H new ATOM 1655 N LYS A 115 10.420 1.774 12.961 1.00 1.01 N ATOM 1656 CA LYS A 115 11.080 2.802 13.784 1.00 1.48 C ATOM 1657 C LYS A 115 10.219 3.331 14.954 1.00 1.64 C ATOM 1658 O LYS A 115 10.677 3.277 16.095 1.00 2.17 O ATOM 1659 CB LYS A 115 11.645 3.928 12.886 1.00 1.91 C ATOM 1660 CG LYS A 115 12.575 3.398 11.775 1.00 2.37 C ATOM 1661 CD LYS A 115 14.087 3.596 11.951 1.00 3.01 C ATOM 1662 CE LYS A 115 14.734 2.224 12.163 1.00 4.10 C ATOM 1663 NZ LYS A 115 16.211 2.272 11.996 1.00 5.42 N ATOM 0 H LYS A 115 10.896 0.877 13.055 1.00 1.01 H new ATOM 0 HA LYS A 115 11.917 2.315 14.284 1.00 1.48 H new ATOM 0 HB2 LYS A 115 10.818 4.473 12.431 1.00 1.91 H new ATOM 0 HB3 LYS A 115 12.194 4.639 13.504 1.00 1.91 H new ATOM 0 HG2 LYS A 115 12.388 2.330 11.663 1.00 2.37 H new ATOM 0 HG3 LYS A 115 12.282 3.873 10.839 1.00 2.37 H new ATOM 0 HD2 LYS A 115 14.510 4.083 11.072 1.00 3.01 H new ATOM 0 HD3 LYS A 115 14.288 4.245 12.803 1.00 3.01 H new ATOM 0 HE2 LYS A 115 14.494 1.861 13.162 1.00 4.10 H new ATOM 0 HE3 LYS A 115 14.312 1.511 11.455 1.00 4.10 H new ATOM 0 HZ1 LYS A 115 16.609 1.323 12.148 1.00 5.42 H new ATOM 0 HZ2 LYS A 115 16.441 2.594 11.034 1.00 5.42 H new ATOM 0 HZ3 LYS A 115 16.617 2.933 12.689 1.00 5.42 H new ATOM 1677 N ARG A 116 8.994 3.808 14.700 1.00 1.52 N ATOM 1678 CA ARG A 116 8.089 4.428 15.677 1.00 1.87 C ATOM 1679 C ARG A 116 6.867 3.518 15.967 1.00 1.55 C ATOM 1680 O ARG A 116 6.250 3.052 15.005 1.00 1.24 O ATOM 1681 CB ARG A 116 7.677 5.812 15.138 1.00 2.38 C ATOM 1682 CG ARG A 116 6.723 6.529 16.106 1.00 3.12 C ATOM 1683 CD ARG A 116 6.680 8.053 15.956 1.00 3.51 C ATOM 1684 NE ARG A 116 7.936 8.715 16.391 1.00 3.86 N ATOM 1685 CZ ARG A 116 8.374 8.864 17.640 1.00 4.18 C ATOM 1686 NH1 ARG A 116 7.861 8.215 18.672 1.00 4.43 N ATOM 1687 NH2 ARG A 116 9.439 9.610 17.830 1.00 5.14 N ATOM 0 H ARG A 116 8.588 3.771 13.765 1.00 1.52 H new ATOM 0 HA ARG A 116 8.596 4.556 16.633 1.00 1.87 H new ATOM 0 HB2 ARG A 116 8.566 6.423 14.982 1.00 2.38 H new ATOM 0 HB3 ARG A 116 7.195 5.697 14.167 1.00 2.38 H new ATOM 0 HG2 ARG A 116 5.717 6.135 15.960 1.00 3.12 H new ATOM 0 HG3 ARG A 116 7.015 6.287 17.128 1.00 3.12 H new ATOM 0 HD2 ARG A 116 6.486 8.304 14.913 1.00 3.51 H new ATOM 0 HD3 ARG A 116 5.848 8.447 16.539 1.00 3.51 H new ATOM 0 HE ARG A 116 8.528 9.097 15.653 1.00 3.86 H new ATOM 0 HH11 ARG A 116 7.090 7.562 18.532 1.00 4.43 H new ATOM 0 HH12 ARG A 116 8.236 8.368 19.608 1.00 4.43 H new ATOM 0 HH21 ARG A 116 9.901 10.052 17.035 1.00 5.14 H new ATOM 0 HH22 ARG A 116 9.804 9.747 18.773 1.00 5.14 H new ATOM 1701 N PRO A 117 6.520 3.265 17.250 1.00 1.96 N ATOM 1702 CA PRO A 117 5.371 2.449 17.617 1.00 2.02 C ATOM 1703 C PRO A 117 4.052 3.190 17.366 1.00 1.84 C ATOM 1704 O PRO A 117 4.001 4.420 17.352 1.00 2.12 O ATOM 1705 CB PRO A 117 5.560 2.096 19.096 1.00 2.81 C ATOM 1706 CG PRO A 117 6.350 3.285 19.633 1.00 3.14 C ATOM 1707 CD PRO A 117 7.251 3.648 18.454 1.00 2.62 C ATOM 0 HA PRO A 117 5.313 1.547 17.008 1.00 2.02 H new ATOM 0 HB2 PRO A 117 4.605 1.981 19.609 1.00 2.81 H new ATOM 0 HB3 PRO A 117 6.104 1.160 19.221 1.00 2.81 H new ATOM 0 HG2 PRO A 117 5.697 4.112 19.914 1.00 3.14 H new ATOM 0 HG3 PRO A 117 6.928 3.021 20.518 1.00 3.14 H new ATOM 0 HD2 PRO A 117 7.476 4.714 18.450 1.00 2.62 H new ATOM 0 HD3 PRO A 117 8.203 3.121 18.515 1.00 2.62 H new ATOM 1715 N LEU A 118 2.992 2.399 17.169 1.00 1.69 N ATOM 1716 CA LEU A 118 1.660 2.830 16.744 1.00 1.45 C ATOM 1717 C LEU A 118 0.606 1.827 17.236 1.00 1.34 C ATOM 1718 O LEU A 118 0.808 0.614 17.150 1.00 1.44 O ATOM 1719 CB LEU A 118 1.568 3.072 15.216 1.00 1.46 C ATOM 1720 CG LEU A 118 2.635 2.400 14.327 1.00 1.32 C ATOM 1721 CD1 LEU A 118 2.497 0.869 14.268 1.00 2.78 C ATOM 1722 CD2 LEU A 118 2.602 2.966 12.901 1.00 2.13 C ATOM 0 H LEU A 118 3.045 1.390 17.309 1.00 1.69 H new ATOM 0 HA LEU A 118 1.458 3.798 17.203 1.00 1.45 H new ATOM 0 HB2 LEU A 118 0.588 2.735 14.880 1.00 1.46 H new ATOM 0 HB3 LEU A 118 1.612 4.147 15.042 1.00 1.46 H new ATOM 0 HG LEU A 118 3.593 2.628 14.794 1.00 1.32 H new ATOM 0 HD11 LEU A 118 3.277 0.458 13.627 1.00 2.78 H new ATOM 0 HD12 LEU A 118 2.597 0.456 15.272 1.00 2.78 H new ATOM 0 HD13 LEU A 118 1.519 0.607 13.864 1.00 2.78 H new ATOM 0 HD21 LEU A 118 3.364 2.474 12.297 1.00 2.13 H new ATOM 0 HD22 LEU A 118 1.620 2.788 12.462 1.00 2.13 H new ATOM 0 HD23 LEU A 118 2.798 4.038 12.930 1.00 2.13 H new ATOM 1734 N LYS A 119 -0.506 2.324 17.775 1.00 1.32 N ATOM 1735 CA LYS A 119 -1.548 1.556 18.450 1.00 1.31 C ATOM 1736 C LYS A 119 -2.793 1.355 17.560 1.00 1.16 C ATOM 1737 O LYS A 119 -3.080 2.127 16.652 1.00 1.22 O ATOM 1738 CB LYS A 119 -1.867 2.284 19.778 1.00 1.57 C ATOM 1739 CG LYS A 119 -2.638 1.478 20.841 1.00 2.14 C ATOM 1740 CD LYS A 119 -1.837 0.299 21.414 1.00 3.00 C ATOM 1741 CE LYS A 119 -2.677 -0.476 22.437 1.00 4.36 C ATOM 1742 NZ LYS A 119 -1.937 -1.646 22.958 1.00 5.54 N ATOM 0 H LYS A 119 -0.714 3.322 17.751 1.00 1.32 H new ATOM 0 HA LYS A 119 -1.199 0.545 18.661 1.00 1.31 H new ATOM 0 HB2 LYS A 119 -0.927 2.616 20.218 1.00 1.57 H new ATOM 0 HB3 LYS A 119 -2.444 3.179 19.545 1.00 1.57 H new ATOM 0 HG2 LYS A 119 -2.922 2.144 21.656 1.00 2.14 H new ATOM 0 HG3 LYS A 119 -3.561 1.101 20.401 1.00 2.14 H new ATOM 0 HD2 LYS A 119 -1.531 -0.367 20.607 1.00 3.00 H new ATOM 0 HD3 LYS A 119 -0.926 0.666 21.887 1.00 3.00 H new ATOM 0 HE2 LYS A 119 -2.949 0.182 23.262 1.00 4.36 H new ATOM 0 HE3 LYS A 119 -3.606 -0.807 21.973 1.00 4.36 H new ATOM 0 HZ1 LYS A 119 -2.529 -2.152 23.648 1.00 5.54 H new ATOM 0 HZ2 LYS A 119 -1.699 -2.284 22.172 1.00 5.54 H new ATOM 0 HZ3 LYS A 119 -1.063 -1.326 23.421 1.00 5.54 H new ATOM 1756 N VAL A 120 -3.585 0.331 17.887 1.00 1.34 N ATOM 1757 CA VAL A 120 -4.803 -0.156 17.184 1.00 1.52 C ATOM 1758 C VAL A 120 -6.004 0.823 17.079 1.00 1.95 C ATOM 1759 O VAL A 120 -7.123 0.410 16.774 1.00 2.80 O ATOM 1760 CB VAL A 120 -5.269 -1.514 17.764 1.00 1.71 C ATOM 1761 CG1 VAL A 120 -4.159 -2.563 17.604 1.00 2.97 C ATOM 1762 CG2 VAL A 120 -5.674 -1.411 19.246 1.00 3.51 C ATOM 0 H VAL A 120 -3.387 -0.232 18.714 1.00 1.34 H new ATOM 0 HA VAL A 120 -4.465 -0.263 16.153 1.00 1.52 H new ATOM 0 HB VAL A 120 -6.153 -1.817 17.202 1.00 1.71 H new ATOM 0 HG11 VAL A 120 -4.496 -3.515 18.015 1.00 2.97 H new ATOM 0 HG12 VAL A 120 -3.925 -2.687 16.547 1.00 2.97 H new ATOM 0 HG13 VAL A 120 -3.267 -2.233 18.137 1.00 2.97 H new ATOM 0 HG21 VAL A 120 -5.993 -2.390 19.605 1.00 3.51 H new ATOM 0 HG22 VAL A 120 -4.822 -1.069 19.833 1.00 3.51 H new ATOM 0 HG23 VAL A 120 -6.495 -0.701 19.350 1.00 3.51 H new ATOM 1772 N GLY A 121 -5.778 2.114 17.332 1.00 1.64 N ATOM 1773 CA GLY A 121 -6.700 3.217 17.034 1.00 1.86 C ATOM 1774 C GLY A 121 -5.999 4.490 16.542 1.00 1.72 C ATOM 1775 O GLY A 121 -6.588 5.562 16.644 1.00 1.89 O ATOM 0 H GLY A 121 -4.913 2.435 17.768 1.00 1.64 H new ATOM 0 HA2 GLY A 121 -7.412 2.889 16.277 1.00 1.86 H new ATOM 0 HA3 GLY A 121 -7.274 3.452 17.931 1.00 1.86 H new ATOM 1779 N GLU A 122 -4.741 4.404 16.101 1.00 1.53 N ATOM 1780 CA GLU A 122 -3.867 5.547 15.872 1.00 1.49 C ATOM 1781 C GLU A 122 -3.714 5.887 14.375 1.00 1.45 C ATOM 1782 O GLU A 122 -3.871 5.029 13.488 1.00 1.45 O ATOM 1783 CB GLU A 122 -2.539 5.242 16.588 1.00 1.50 C ATOM 1784 CG GLU A 122 -1.672 6.470 16.886 1.00 1.61 C ATOM 1785 CD GLU A 122 -0.718 6.224 18.064 1.00 1.72 C ATOM 1786 OE1 GLU A 122 -0.332 5.065 18.320 1.00 2.28 O ATOM 1787 OE2 GLU A 122 -0.385 7.197 18.779 1.00 2.35 O ATOM 0 H GLU A 122 -4.295 3.512 15.889 1.00 1.53 H new ATOM 0 HA GLU A 122 -4.299 6.457 16.288 1.00 1.49 H new ATOM 0 HB2 GLU A 122 -2.757 4.733 17.527 1.00 1.50 H new ATOM 0 HB3 GLU A 122 -1.963 4.548 15.975 1.00 1.50 H new ATOM 0 HG2 GLU A 122 -1.094 6.731 15.999 1.00 1.61 H new ATOM 0 HG3 GLU A 122 -2.314 7.322 17.110 1.00 1.61 H new ATOM 1794 N THR A 123 -3.443 7.174 14.124 1.00 1.57 N ATOM 1795 CA THR A 123 -3.276 7.799 12.806 1.00 1.74 C ATOM 1796 C THR A 123 -1.824 7.633 12.350 1.00 1.48 C ATOM 1797 O THR A 123 -0.920 7.673 13.183 1.00 1.51 O ATOM 1798 CB THR A 123 -3.633 9.298 12.884 1.00 2.19 C ATOM 1799 OG1 THR A 123 -4.742 9.519 13.731 1.00 3.28 O ATOM 1800 CG2 THR A 123 -4.013 9.863 11.514 1.00 2.64 C ATOM 0 H THR A 123 -3.328 7.847 14.881 1.00 1.57 H new ATOM 0 HA THR A 123 -3.941 7.317 12.089 1.00 1.74 H new ATOM 0 HB THR A 123 -2.742 9.793 13.269 1.00 2.19 H new ATOM 0 HG1 THR A 123 -4.944 10.477 13.762 1.00 3.28 H new ATOM 0 HG21 THR A 123 -4.257 10.921 11.612 1.00 2.64 H new ATOM 0 HG22 THR A 123 -3.175 9.746 10.827 1.00 2.64 H new ATOM 0 HG23 THR A 123 -4.878 9.325 11.126 1.00 2.64 H new ATOM 1808 N VAL A 124 -1.584 7.493 11.047 1.00 1.35 N ATOM 1809 CA VAL A 124 -0.245 7.368 10.452 1.00 1.23 C ATOM 1810 C VAL A 124 -0.089 8.390 9.336 1.00 1.29 C ATOM 1811 O VAL A 124 -0.977 8.564 8.501 1.00 1.25 O ATOM 1812 CB VAL A 124 0.023 5.948 9.901 1.00 1.34 C ATOM 1813 CG1 VAL A 124 1.375 5.828 9.171 1.00 1.82 C ATOM 1814 CG2 VAL A 124 0.026 4.944 11.054 1.00 2.48 C ATOM 0 H VAL A 124 -2.332 7.462 10.354 1.00 1.35 H new ATOM 0 HA VAL A 124 0.485 7.554 11.240 1.00 1.23 H new ATOM 0 HB VAL A 124 -0.772 5.741 9.184 1.00 1.34 H new ATOM 0 HG11 VAL A 124 1.503 4.808 8.808 1.00 1.82 H new ATOM 0 HG12 VAL A 124 1.396 6.518 8.328 1.00 1.82 H new ATOM 0 HG13 VAL A 124 2.183 6.072 9.860 1.00 1.82 H new ATOM 0 HG21 VAL A 124 0.215 3.944 10.665 1.00 2.48 H new ATOM 0 HG22 VAL A 124 0.807 5.210 11.766 1.00 2.48 H new ATOM 0 HG23 VAL A 124 -0.942 4.962 11.554 1.00 2.48 H new ATOM 1824 N ASN A 125 1.072 9.042 9.314 1.00 1.50 N ATOM 1825 CA ASN A 125 1.472 9.908 8.216 1.00 1.56 C ATOM 1826 C ASN A 125 1.914 9.034 7.025 1.00 1.51 C ATOM 1827 O ASN A 125 3.068 8.624 6.923 1.00 1.55 O ATOM 1828 CB ASN A 125 2.582 10.875 8.690 1.00 1.73 C ATOM 1829 CG ASN A 125 2.238 11.830 9.831 1.00 1.96 C ATOM 1830 OD1 ASN A 125 3.078 12.598 10.262 1.00 2.57 O ATOM 1831 ND2 ASN A 125 1.037 11.826 10.374 1.00 2.22 N ATOM 0 H ASN A 125 1.762 8.981 10.063 1.00 1.50 H new ATOM 0 HA ASN A 125 0.636 10.524 7.885 1.00 1.56 H new ATOM 0 HB2 ASN A 125 3.441 10.278 8.997 1.00 1.73 H new ATOM 0 HB3 ASN A 125 2.898 11.472 7.834 1.00 1.73 H new ATOM 0 HD21 ASN A 125 0.823 12.460 11.144 1.00 2.22 H new ATOM 0 HD22 ASN A 125 0.321 11.189 10.025 1.00 2.22 H new ATOM 1838 N ILE A 126 0.974 8.696 6.136 1.00 1.74 N ATOM 1839 CA ILE A 126 1.252 7.922 4.909 1.00 1.67 C ATOM 1840 C ILE A 126 1.528 8.866 3.740 1.00 1.70 C ATOM 1841 O ILE A 126 0.923 9.937 3.625 1.00 1.76 O ATOM 1842 CB ILE A 126 0.121 6.898 4.629 1.00 1.58 C ATOM 1843 CG1 ILE A 126 0.425 5.520 5.268 1.00 2.21 C ATOM 1844 CG2 ILE A 126 -0.255 6.697 3.151 1.00 1.36 C ATOM 1845 CD1 ILE A 126 1.637 4.746 4.735 1.00 2.48 C ATOM 0 H ILE A 126 -0.008 8.950 6.243 1.00 1.74 H new ATOM 0 HA ILE A 126 2.157 7.330 5.050 1.00 1.67 H new ATOM 0 HB ILE A 126 -0.749 7.358 5.099 1.00 1.58 H new ATOM 0 HG12 ILE A 126 0.565 5.669 6.339 1.00 2.21 H new ATOM 0 HG13 ILE A 126 -0.457 4.891 5.146 1.00 2.21 H new ATOM 0 HG21 ILE A 126 -1.055 5.960 3.076 1.00 1.36 H new ATOM 0 HG22 ILE A 126 -0.593 7.644 2.730 1.00 1.36 H new ATOM 0 HG23 ILE A 126 0.616 6.344 2.599 1.00 1.36 H new ATOM 0 HD11 ILE A 126 1.730 3.802 5.271 1.00 2.48 H new ATOM 0 HD12 ILE A 126 1.503 4.548 3.672 1.00 2.48 H new ATOM 0 HD13 ILE A 126 2.540 5.338 4.883 1.00 2.48 H new ATOM 1857 N THR A 127 2.426 8.427 2.860 1.00 1.68 N ATOM 1858 CA THR A 127 2.771 9.058 1.582 1.00 1.67 C ATOM 1859 C THR A 127 2.299 8.131 0.467 1.00 1.69 C ATOM 1860 O THR A 127 2.042 6.952 0.685 1.00 2.49 O ATOM 1861 CB THR A 127 4.280 9.360 1.505 1.00 1.69 C ATOM 1862 OG1 THR A 127 5.006 8.238 1.900 1.00 1.84 O ATOM 1863 CG2 THR A 127 4.710 10.484 2.449 1.00 3.11 C ATOM 0 H THR A 127 2.963 7.576 3.026 1.00 1.68 H new ATOM 0 HA THR A 127 2.273 10.022 1.479 1.00 1.67 H new ATOM 0 HB THR A 127 4.473 9.649 0.472 1.00 1.69 H new ATOM 0 HG1 THR A 127 5.965 8.434 1.848 1.00 1.84 H new ATOM 0 HG21 THR A 127 5.783 10.652 2.350 1.00 3.11 H new ATOM 0 HG22 THR A 127 4.175 11.399 2.193 1.00 3.11 H new ATOM 0 HG23 THR A 127 4.479 10.204 3.477 1.00 3.11 H new ATOM 1871 N LEU A 128 2.198 8.651 -0.749 1.00 0.98 N ATOM 1872 CA LEU A 128 1.944 7.859 -1.958 1.00 1.06 C ATOM 1873 C LEU A 128 2.778 8.455 -3.098 1.00 1.34 C ATOM 1874 O LEU A 128 3.683 9.240 -2.831 1.00 2.39 O ATOM 1875 CB LEU A 128 0.434 7.749 -2.293 1.00 1.01 C ATOM 1876 CG LEU A 128 -0.535 7.311 -1.170 1.00 1.68 C ATOM 1877 CD1 LEU A 128 -1.018 8.488 -0.318 1.00 2.61 C ATOM 1878 CD2 LEU A 128 -1.792 6.650 -1.747 1.00 2.09 C ATOM 0 H LEU A 128 2.291 9.650 -0.932 1.00 0.98 H new ATOM 0 HA LEU A 128 2.253 6.827 -1.795 1.00 1.06 H new ATOM 0 HB2 LEU A 128 0.103 8.721 -2.658 1.00 1.01 H new ATOM 0 HB3 LEU A 128 0.327 7.045 -3.118 1.00 1.01 H new ATOM 0 HG LEU A 128 0.036 6.614 -0.557 1.00 1.68 H new ATOM 0 HD11 LEU A 128 -1.695 8.124 0.455 1.00 2.61 H new ATOM 0 HD12 LEU A 128 -0.162 8.974 0.150 1.00 2.61 H new ATOM 0 HD13 LEU A 128 -1.541 9.205 -0.951 1.00 2.61 H new ATOM 0 HD21 LEU A 128 -2.453 6.353 -0.933 1.00 2.09 H new ATOM 0 HD22 LEU A 128 -2.310 7.357 -2.396 1.00 2.09 H new ATOM 0 HD23 LEU A 128 -1.508 5.769 -2.323 1.00 2.09 H new ATOM 1890 N LYS A 129 2.542 8.075 -4.354 1.00 1.22 N ATOM 1891 CA LYS A 129 3.372 8.535 -5.476 1.00 1.47 C ATOM 1892 C LYS A 129 2.633 8.379 -6.812 1.00 1.24 C ATOM 1893 O LYS A 129 1.854 7.441 -7.004 1.00 1.41 O ATOM 1894 CB LYS A 129 4.714 7.762 -5.419 1.00 2.19 C ATOM 1895 CG LYS A 129 5.905 8.527 -6.023 1.00 2.60 C ATOM 1896 CD LYS A 129 7.209 8.230 -5.260 1.00 3.36 C ATOM 1897 CE LYS A 129 8.348 9.171 -5.689 1.00 2.93 C ATOM 1898 NZ LYS A 129 9.631 8.839 -5.015 1.00 3.97 N ATOM 0 H LYS A 129 1.783 7.449 -4.624 1.00 1.22 H new ATOM 0 HA LYS A 129 3.583 9.601 -5.394 1.00 1.47 H new ATOM 0 HB2 LYS A 129 4.939 7.522 -4.380 1.00 2.19 H new ATOM 0 HB3 LYS A 129 4.599 6.815 -5.947 1.00 2.19 H new ATOM 0 HG2 LYS A 129 6.024 8.250 -7.071 1.00 2.60 H new ATOM 0 HG3 LYS A 129 5.702 9.598 -5.997 1.00 2.60 H new ATOM 0 HD2 LYS A 129 7.035 8.334 -4.189 1.00 3.36 H new ATOM 0 HD3 LYS A 129 7.506 7.196 -5.436 1.00 3.36 H new ATOM 0 HE2 LYS A 129 8.480 9.111 -6.769 1.00 2.93 H new ATOM 0 HE3 LYS A 129 8.074 10.200 -5.458 1.00 2.93 H new ATOM 0 HZ1 LYS A 129 10.371 9.497 -5.333 1.00 3.97 H new ATOM 0 HZ2 LYS A 129 9.514 8.921 -3.985 1.00 3.97 H new ATOM 0 HZ3 LYS A 129 9.908 7.866 -5.255 1.00 3.97 H new ATOM 1912 N ALA A 130 2.950 9.250 -7.768 1.00 1.57 N ATOM 1913 CA ALA A 130 2.557 9.115 -9.179 1.00 1.61 C ATOM 1914 C ALA A 130 3.787 9.240 -10.101 1.00 1.68 C ATOM 1915 O ALA A 130 4.788 9.832 -9.691 1.00 1.90 O ATOM 1916 CB ALA A 130 1.475 10.158 -9.491 1.00 1.72 C ATOM 0 H ALA A 130 3.499 10.090 -7.584 1.00 1.57 H new ATOM 0 HA ALA A 130 2.139 8.125 -9.363 1.00 1.61 H new ATOM 0 HB1 ALA A 130 1.174 10.069 -10.535 1.00 1.72 H new ATOM 0 HB2 ALA A 130 0.611 9.989 -8.849 1.00 1.72 H new ATOM 0 HB3 ALA A 130 1.871 11.158 -9.311 1.00 1.72 H new ATOM 1922 N THR A 131 3.703 8.671 -11.315 1.00 1.71 N ATOM 1923 CA THR A 131 4.806 8.571 -12.292 1.00 1.98 C ATOM 1924 C THR A 131 5.066 9.857 -13.087 1.00 2.07 C ATOM 1925 O THR A 131 6.155 10.030 -13.618 1.00 2.51 O ATOM 1926 CB THR A 131 4.603 7.337 -13.203 1.00 2.30 C ATOM 1927 OG1 THR A 131 5.847 6.689 -13.309 1.00 3.24 O ATOM 1928 CG2 THR A 131 4.054 7.622 -14.604 1.00 2.83 C ATOM 0 H THR A 131 2.838 8.253 -11.657 1.00 1.71 H new ATOM 0 HA THR A 131 5.721 8.431 -11.717 1.00 1.98 H new ATOM 0 HB THR A 131 3.834 6.725 -12.733 1.00 2.30 H new ATOM 0 HG1 THR A 131 5.756 5.898 -13.880 1.00 3.24 H new ATOM 0 HG21 THR A 131 3.953 6.686 -15.153 1.00 2.83 H new ATOM 0 HG22 THR A 131 3.079 8.102 -14.522 1.00 2.83 H new ATOM 0 HG23 THR A 131 4.739 8.282 -15.136 1.00 2.83 H new ATOM 1936 N ASP A 132 4.099 10.776 -13.106 1.00 1.91 N ATOM 1937 CA ASP A 132 4.201 12.120 -13.692 1.00 2.22 C ATOM 1938 C ASP A 132 3.714 13.104 -12.617 1.00 2.47 C ATOM 1939 O ASP A 132 2.856 13.957 -12.822 1.00 2.89 O ATOM 1940 CB ASP A 132 3.426 12.205 -15.026 1.00 2.37 C ATOM 1941 CG ASP A 132 4.280 11.832 -16.238 1.00 2.85 C ATOM 1942 OD1 ASP A 132 5.354 12.452 -16.421 1.00 3.40 O ATOM 1943 OD2 ASP A 132 3.827 11.026 -17.088 1.00 3.57 O ATOM 0 H ASP A 132 3.182 10.599 -12.696 1.00 1.91 H new ATOM 0 HA ASP A 132 5.226 12.373 -13.963 1.00 2.22 H new ATOM 0 HB2 ASP A 132 2.561 11.543 -14.980 1.00 2.37 H new ATOM 0 HB3 ASP A 132 3.045 13.218 -15.155 1.00 2.37 H new ATOM 1948 N GLY A 133 4.238 12.891 -11.407 1.00 2.66 N ATOM 1949 CA GLY A 133 3.910 13.608 -10.182 1.00 3.07 C ATOM 1950 C GLY A 133 5.075 13.581 -9.196 1.00 3.46 C ATOM 1951 O GLY A 133 6.234 13.409 -9.577 1.00 4.38 O ATOM 0 H GLY A 133 4.943 12.170 -11.252 1.00 2.66 H new ATOM 0 HA2 GLY A 133 3.655 14.641 -10.419 1.00 3.07 H new ATOM 0 HA3 GLY A 133 3.030 13.161 -9.721 1.00 3.07 H new ATOM 1955 N ARG A 134 4.784 13.779 -7.908 1.00 3.40 N ATOM 1956 CA ARG A 134 5.821 14.166 -6.931 1.00 4.13 C ATOM 1957 C ARG A 134 5.506 13.699 -5.508 1.00 4.20 C ATOM 1958 O ARG A 134 5.268 14.510 -4.618 1.00 4.76 O ATOM 1959 CB ARG A 134 6.059 15.696 -7.066 1.00 4.83 C ATOM 1960 CG ARG A 134 7.416 16.251 -6.595 1.00 6.45 C ATOM 1961 CD ARG A 134 8.565 15.987 -7.587 1.00 7.64 C ATOM 1962 NE ARG A 134 9.577 17.071 -7.561 1.00 8.86 N ATOM 1963 CZ ARG A 134 9.685 18.101 -8.396 1.00 9.52 C ATOM 1964 NH1 ARG A 134 8.880 18.268 -9.426 1.00 9.39 N ATOM 1965 NH2 ARG A 134 10.630 18.994 -8.197 1.00 10.73 N ATOM 0 H ARG A 134 3.849 13.680 -7.513 1.00 3.40 H new ATOM 0 HA ARG A 134 6.755 13.650 -7.155 1.00 4.13 H new ATOM 0 HB2 ARG A 134 5.932 15.964 -8.115 1.00 4.83 H new ATOM 0 HB3 ARG A 134 5.275 16.208 -6.509 1.00 4.83 H new ATOM 0 HG2 ARG A 134 7.324 17.325 -6.435 1.00 6.45 H new ATOM 0 HG3 ARG A 134 7.668 15.805 -5.633 1.00 6.45 H new ATOM 0 HD2 ARG A 134 9.043 15.038 -7.345 1.00 7.64 H new ATOM 0 HD3 ARG A 134 8.160 15.892 -8.595 1.00 7.64 H new ATOM 0 HE ARG A 134 10.271 17.021 -6.816 1.00 8.86 H new ATOM 0 HH11 ARG A 134 8.138 17.592 -9.608 1.00 9.39 H new ATOM 0 HH12 ARG A 134 8.999 19.073 -10.041 1.00 9.39 H new ATOM 0 HH21 ARG A 134 11.270 18.892 -7.409 1.00 10.73 H new ATOM 0 HH22 ARG A 134 10.723 19.788 -8.830 1.00 10.73 H new ATOM 1979 N THR A 135 5.478 12.370 -5.337 1.00 4.12 N ATOM 1980 CA THR A 135 5.129 11.712 -4.064 1.00 4.17 C ATOM 1981 C THR A 135 3.672 12.068 -3.734 1.00 2.34 C ATOM 1982 O THR A 135 2.892 12.155 -4.684 1.00 2.64 O ATOM 1983 CB THR A 135 6.199 12.020 -3.003 1.00 5.66 C ATOM 1984 OG1 THR A 135 7.465 11.827 -3.607 1.00 7.21 O ATOM 1985 CG2 THR A 135 6.199 11.087 -1.787 1.00 6.50 C ATOM 0 H THR A 135 5.699 11.712 -6.085 1.00 4.12 H new ATOM 0 HA THR A 135 5.149 10.623 -4.116 1.00 4.17 H new ATOM 0 HB THR A 135 5.987 13.032 -2.657 1.00 5.66 H new ATOM 0 HG1 THR A 135 8.171 12.018 -2.955 1.00 7.21 H new ATOM 0 HG21 THR A 135 6.989 11.387 -1.098 1.00 6.50 H new ATOM 0 HG22 THR A 135 5.235 11.147 -1.282 1.00 6.50 H new ATOM 0 HG23 THR A 135 6.373 10.062 -2.115 1.00 6.50 H new ATOM 1993 N LEU A 136 3.280 12.235 -2.465 1.00 1.67 N ATOM 1994 CA LEU A 136 1.930 12.540 -1.956 1.00 1.51 C ATOM 1995 C LEU A 136 1.920 12.499 -0.418 1.00 1.17 C ATOM 1996 O LEU A 136 2.882 12.021 0.171 1.00 1.52 O ATOM 1997 CB LEU A 136 0.829 11.617 -2.553 1.00 3.54 C ATOM 1998 CG LEU A 136 -0.366 12.429 -3.093 1.00 4.60 C ATOM 1999 CD1 LEU A 136 -0.048 13.160 -4.406 1.00 5.52 C ATOM 2000 CD2 LEU A 136 -1.582 11.519 -3.298 1.00 5.81 C ATOM 0 H LEU A 136 3.952 12.154 -1.702 1.00 1.67 H new ATOM 0 HA LEU A 136 1.684 13.549 -2.286 1.00 1.51 H new ATOM 0 HB2 LEU A 136 1.254 11.017 -3.357 1.00 3.54 H new ATOM 0 HB3 LEU A 136 0.481 10.923 -1.787 1.00 3.54 H new ATOM 0 HG LEU A 136 -0.588 13.187 -2.342 1.00 4.60 H new ATOM 0 HD11 LEU A 136 -0.927 13.714 -4.736 1.00 5.52 H new ATOM 0 HD12 LEU A 136 0.778 13.853 -4.246 1.00 5.52 H new ATOM 0 HD13 LEU A 136 0.231 12.433 -5.169 1.00 5.52 H new ATOM 0 HD21 LEU A 136 -2.417 12.107 -3.679 1.00 5.81 H new ATOM 0 HD22 LEU A 136 -1.333 10.735 -4.014 1.00 5.81 H new ATOM 0 HD23 LEU A 136 -1.862 11.066 -2.347 1.00 5.81 H new ATOM 2012 N ASN A 137 0.839 12.950 0.231 1.00 2.16 N ATOM 2013 CA ASN A 137 0.644 12.854 1.683 1.00 2.13 C ATOM 2014 C ASN A 137 -0.837 12.572 2.009 1.00 2.23 C ATOM 2015 O ASN A 137 -1.728 13.213 1.448 1.00 2.74 O ATOM 2016 CB ASN A 137 1.150 14.133 2.378 1.00 2.39 C ATOM 2017 CG ASN A 137 0.479 15.425 1.919 1.00 3.27 C ATOM 2018 OD1 ASN A 137 -0.630 15.760 2.320 1.00 4.57 O ATOM 2019 ND2 ASN A 137 1.135 16.196 1.069 1.00 3.77 N ATOM 0 H ASN A 137 0.060 13.401 -0.248 1.00 2.16 H new ATOM 0 HA ASN A 137 1.229 12.018 2.066 1.00 2.13 H new ATOM 0 HB2 ASN A 137 1.003 14.027 3.453 1.00 2.39 H new ATOM 0 HB3 ASN A 137 2.224 14.219 2.210 1.00 2.39 H new ATOM 0 HD21 ASN A 137 0.718 17.070 0.747 1.00 3.77 H new ATOM 0 HD22 ASN A 137 2.058 15.917 0.735 1.00 3.77 H new ATOM 2026 N VAL A 138 -1.102 11.631 2.915 1.00 1.99 N ATOM 2027 CA VAL A 138 -2.448 11.144 3.265 1.00 2.07 C ATOM 2028 C VAL A 138 -2.486 10.661 4.720 1.00 1.91 C ATOM 2029 O VAL A 138 -1.485 10.191 5.268 1.00 1.86 O ATOM 2030 CB VAL A 138 -2.890 10.016 2.292 1.00 2.27 C ATOM 2031 CG1 VAL A 138 -4.048 9.133 2.790 1.00 2.49 C ATOM 2032 CG2 VAL A 138 -3.310 10.580 0.921 1.00 2.69 C ATOM 0 H VAL A 138 -0.365 11.168 3.447 1.00 1.99 H new ATOM 0 HA VAL A 138 -3.151 11.971 3.166 1.00 2.07 H new ATOM 0 HB VAL A 138 -1.999 9.392 2.220 1.00 2.27 H new ATOM 0 HG11 VAL A 138 -4.279 8.378 2.038 1.00 2.49 H new ATOM 0 HG12 VAL A 138 -3.758 8.643 3.719 1.00 2.49 H new ATOM 0 HG13 VAL A 138 -4.928 9.752 2.965 1.00 2.49 H new ATOM 0 HG21 VAL A 138 -3.612 9.761 0.268 1.00 2.69 H new ATOM 0 HG22 VAL A 138 -4.145 11.268 1.051 1.00 2.69 H new ATOM 0 HG23 VAL A 138 -2.470 11.110 0.473 1.00 2.69 H new ATOM 2042 N ALA A 139 -3.649 10.805 5.361 1.00 2.01 N ATOM 2043 CA ALA A 139 -3.938 10.212 6.663 1.00 2.00 C ATOM 2044 C ALA A 139 -4.312 8.722 6.511 1.00 1.89 C ATOM 2045 O ALA A 139 -5.307 8.381 5.876 1.00 2.20 O ATOM 2046 CB ALA A 139 -5.061 11.024 7.324 1.00 2.38 C ATOM 0 H ALA A 139 -4.426 11.346 4.981 1.00 2.01 H new ATOM 0 HA ALA A 139 -3.055 10.246 7.301 1.00 2.00 H new ATOM 0 HB1 ALA A 139 -5.293 10.597 8.300 1.00 2.38 H new ATOM 0 HB2 ALA A 139 -4.738 12.058 7.448 1.00 2.38 H new ATOM 0 HB3 ALA A 139 -5.950 10.995 6.694 1.00 2.38 H new ATOM 2052 N ALA A 140 -3.513 7.842 7.115 1.00 1.59 N ATOM 2053 CA ALA A 140 -3.763 6.404 7.187 1.00 1.51 C ATOM 2054 C ALA A 140 -4.010 5.955 8.632 1.00 1.46 C ATOM 2055 O ALA A 140 -3.816 6.738 9.569 1.00 1.56 O ATOM 2056 CB ALA A 140 -2.560 5.695 6.578 1.00 1.44 C ATOM 0 H ALA A 140 -2.649 8.119 7.581 1.00 1.59 H new ATOM 0 HA ALA A 140 -4.665 6.149 6.630 1.00 1.51 H new ATOM 0 HB1 ALA A 140 -2.715 4.617 6.616 1.00 1.44 H new ATOM 0 HB2 ALA A 140 -2.440 6.008 5.541 1.00 1.44 H new ATOM 0 HB3 ALA A 140 -1.663 5.953 7.141 1.00 1.44 H new ATOM 2062 N THR A 141 -4.408 4.692 8.797 1.00 1.36 N ATOM 2063 CA THR A 141 -4.963 4.115 10.025 1.00 1.41 C ATOM 2064 C THR A 141 -4.139 2.900 10.472 1.00 1.21 C ATOM 2065 O THR A 141 -3.604 2.157 9.645 1.00 1.20 O ATOM 2066 CB THR A 141 -6.431 3.703 9.776 1.00 1.65 C ATOM 2067 OG1 THR A 141 -7.129 4.680 9.019 1.00 1.90 O ATOM 2068 CG2 THR A 141 -7.194 3.532 11.090 1.00 1.96 C ATOM 0 H THR A 141 -4.349 4.010 8.041 1.00 1.36 H new ATOM 0 HA THR A 141 -4.924 4.861 10.819 1.00 1.41 H new ATOM 0 HB THR A 141 -6.386 2.760 9.231 1.00 1.65 H new ATOM 0 HG1 THR A 141 -6.908 4.578 8.070 1.00 1.90 H new ATOM 0 HG21 THR A 141 -8.223 3.242 10.878 1.00 1.96 H new ATOM 0 HG22 THR A 141 -6.715 2.758 11.691 1.00 1.96 H new ATOM 0 HG23 THR A 141 -7.188 4.473 11.639 1.00 1.96 H new ATOM 2076 N VAL A 142 -4.063 2.656 11.776 1.00 1.23 N ATOM 2077 CA VAL A 142 -3.505 1.406 12.332 1.00 1.18 C ATOM 2078 C VAL A 142 -4.574 0.537 12.988 1.00 1.51 C ATOM 2079 O VAL A 142 -5.339 1.007 13.827 1.00 1.90 O ATOM 2080 CB VAL A 142 -2.399 1.748 13.353 1.00 1.12 C ATOM 2081 CG1 VAL A 142 -1.900 0.544 14.162 1.00 1.65 C ATOM 2082 CG2 VAL A 142 -1.188 2.362 12.638 1.00 1.17 C ATOM 0 H VAL A 142 -4.384 3.313 12.487 1.00 1.23 H new ATOM 0 HA VAL A 142 -3.087 0.831 11.506 1.00 1.18 H new ATOM 0 HB VAL A 142 -2.860 2.450 14.048 1.00 1.12 H new ATOM 0 HG11 VAL A 142 -1.125 0.868 14.856 1.00 1.65 H new ATOM 0 HG12 VAL A 142 -2.730 0.112 14.721 1.00 1.65 H new ATOM 0 HG13 VAL A 142 -1.490 -0.205 13.484 1.00 1.65 H new ATOM 0 HG21 VAL A 142 -0.415 2.599 13.369 1.00 1.17 H new ATOM 0 HG22 VAL A 142 -0.795 1.650 11.912 1.00 1.17 H new ATOM 0 HG23 VAL A 142 -1.493 3.274 12.124 1.00 1.17 H new ATOM 2092 N LYS A 143 -4.536 -0.765 12.670 1.00 1.54 N ATOM 2093 CA LYS A 143 -5.108 -1.873 13.454 1.00 2.15 C ATOM 2094 C LYS A 143 -4.310 -3.170 13.219 1.00 2.27 C ATOM 2095 O LYS A 143 -3.982 -3.515 12.083 1.00 2.52 O ATOM 2096 CB LYS A 143 -6.605 -2.100 13.142 1.00 2.75 C ATOM 2097 CG LYS A 143 -7.494 -1.335 14.129 1.00 3.05 C ATOM 2098 CD LYS A 143 -8.940 -1.836 14.201 1.00 4.04 C ATOM 2099 CE LYS A 143 -9.636 -1.078 15.342 1.00 4.89 C ATOM 2100 NZ LYS A 143 -10.969 -1.636 15.659 1.00 5.79 N ATOM 0 H LYS A 143 -4.083 -1.092 11.817 1.00 1.54 H new ATOM 0 HA LYS A 143 -5.034 -1.593 14.505 1.00 2.15 H new ATOM 0 HB2 LYS A 143 -6.821 -1.775 12.124 1.00 2.75 H new ATOM 0 HB3 LYS A 143 -6.833 -3.165 13.191 1.00 2.75 H new ATOM 0 HG2 LYS A 143 -7.051 -1.399 15.123 1.00 3.05 H new ATOM 0 HG3 LYS A 143 -7.501 -0.281 13.850 1.00 3.05 H new ATOM 0 HD2 LYS A 143 -9.454 -1.661 13.256 1.00 4.04 H new ATOM 0 HD3 LYS A 143 -8.965 -2.910 14.383 1.00 4.04 H new ATOM 0 HE2 LYS A 143 -9.009 -1.113 16.233 1.00 4.89 H new ATOM 0 HE3 LYS A 143 -9.741 -0.029 15.067 1.00 4.89 H new ATOM 0 HZ1 LYS A 143 -11.398 -1.091 16.434 1.00 5.79 H new ATOM 0 HZ2 LYS A 143 -11.578 -1.579 14.818 1.00 5.79 H new ATOM 0 HZ3 LYS A 143 -10.869 -2.630 15.948 1.00 5.79 H new ATOM 2114 N LYS A 144 -3.999 -3.922 14.287 1.00 2.55 N ATOM 2115 CA LYS A 144 -3.401 -5.272 14.166 1.00 2.77 C ATOM 2116 C LYS A 144 -4.394 -6.255 13.505 1.00 2.43 C ATOM 2117 O LYS A 144 -5.548 -6.332 13.928 1.00 3.16 O ATOM 2118 CB LYS A 144 -2.829 -5.760 15.521 1.00 3.84 C ATOM 2119 CG LYS A 144 -3.834 -6.370 16.519 1.00 4.51 C ATOM 2120 CD LYS A 144 -3.303 -6.435 17.965 1.00 6.02 C ATOM 2121 CE LYS A 144 -1.947 -7.136 18.130 1.00 7.30 C ATOM 2122 NZ LYS A 144 -1.472 -7.095 19.536 1.00 8.92 N ATOM 0 H LYS A 144 -4.151 -3.621 15.250 1.00 2.55 H new ATOM 0 HA LYS A 144 -2.543 -5.222 13.496 1.00 2.77 H new ATOM 0 HB2 LYS A 144 -2.059 -6.504 15.317 1.00 3.84 H new ATOM 0 HB3 LYS A 144 -2.337 -4.917 16.006 1.00 3.84 H new ATOM 0 HG2 LYS A 144 -4.752 -5.782 16.504 1.00 4.51 H new ATOM 0 HG3 LYS A 144 -4.095 -7.376 16.191 1.00 4.51 H new ATOM 0 HD2 LYS A 144 -3.219 -5.419 18.351 1.00 6.02 H new ATOM 0 HD3 LYS A 144 -4.038 -6.950 18.583 1.00 6.02 H new ATOM 0 HE2 LYS A 144 -2.032 -8.173 17.805 1.00 7.30 H new ATOM 0 HE3 LYS A 144 -1.210 -6.659 17.484 1.00 7.30 H new ATOM 0 HZ1 LYS A 144 -0.554 -7.578 19.606 1.00 8.92 H new ATOM 0 HZ2 LYS A 144 -1.366 -6.105 19.838 1.00 8.92 H new ATOM 0 HZ3 LYS A 144 -2.163 -7.572 20.150 1.00 8.92 H new ATOM 2136 N ASN A 145 -3.962 -6.927 12.428 1.00 2.24 N ATOM 2137 CA ASN A 145 -4.834 -7.627 11.473 1.00 2.50 C ATOM 2138 C ASN A 145 -3.986 -8.490 10.510 1.00 2.70 C ATOM 2139 O ASN A 145 -3.776 -8.103 9.362 1.00 3.73 O ATOM 2140 CB ASN A 145 -5.714 -6.592 10.727 1.00 3.36 C ATOM 2141 CG ASN A 145 -6.829 -7.227 9.907 1.00 4.22 C ATOM 2142 OD1 ASN A 145 -7.984 -7.193 10.299 1.00 4.50 O ATOM 2143 ND2 ASN A 145 -6.545 -7.810 8.754 1.00 5.50 N ATOM 0 H ASN A 145 -2.973 -7.001 12.191 1.00 2.24 H new ATOM 0 HA ASN A 145 -5.501 -8.308 12.002 1.00 2.50 H new ATOM 0 HB2 ASN A 145 -6.152 -5.907 11.453 1.00 3.36 H new ATOM 0 HB3 ASN A 145 -5.082 -5.996 10.068 1.00 3.36 H new ATOM 0 HD21 ASN A 145 -7.290 -8.228 8.197 1.00 5.50 H new ATOM 0 HD22 ASN A 145 -5.581 -7.841 8.422 1.00 5.50 H new ATOM 2150 N ILE A 146 -3.484 -9.640 10.983 1.00 2.57 N ATOM 2151 CA ILE A 146 -2.661 -10.678 10.302 1.00 3.16 C ATOM 2152 C ILE A 146 -1.979 -11.592 11.328 1.00 3.46 C ATOM 2153 O ILE A 146 -1.992 -12.808 11.178 1.00 4.26 O ATOM 2154 CB ILE A 146 -1.614 -10.115 9.307 1.00 3.56 C ATOM 2155 CG1 ILE A 146 -0.844 -11.255 8.603 1.00 4.80 C ATOM 2156 CG2 ILE A 146 -0.639 -9.094 9.938 1.00 4.46 C ATOM 2157 CD1 ILE A 146 -0.028 -10.784 7.393 1.00 5.65 C ATOM 0 H ILE A 146 -3.657 -9.904 11.953 1.00 2.57 H new ATOM 0 HA ILE A 146 -3.365 -11.254 9.701 1.00 3.16 H new ATOM 0 HB ILE A 146 -2.184 -9.562 8.560 1.00 3.56 H new ATOM 0 HG12 ILE A 146 -0.174 -11.728 9.321 1.00 4.80 H new ATOM 0 HG13 ILE A 146 -1.554 -12.016 8.279 1.00 4.80 H new ATOM 0 HG21 ILE A 146 0.063 -8.745 9.181 1.00 4.46 H new ATOM 0 HG22 ILE A 146 -1.202 -8.246 10.328 1.00 4.46 H new ATOM 0 HG23 ILE A 146 -0.090 -9.570 10.750 1.00 4.46 H new ATOM 0 HD11 ILE A 146 0.486 -11.635 6.947 1.00 5.65 H new ATOM 0 HD12 ILE A 146 -0.695 -10.337 6.656 1.00 5.65 H new ATOM 0 HD13 ILE A 146 0.705 -10.044 7.714 1.00 5.65 H new ATOM 2169 N GLU A 147 -1.448 -10.962 12.370 1.00 3.12 N ATOM 2170 CA GLU A 147 -0.853 -11.461 13.601 1.00 3.62 C ATOM 2171 C GLU A 147 -0.749 -10.150 14.414 1.00 3.49 C ATOM 2172 O GLU A 147 -1.733 -9.399 14.465 1.00 4.42 O ATOM 2173 CB GLU A 147 0.466 -12.219 13.298 1.00 4.87 C ATOM 2174 CG GLU A 147 0.827 -13.327 14.301 1.00 5.65 C ATOM 2175 CD GLU A 147 1.406 -12.861 15.638 1.00 6.78 C ATOM 2176 OE1 GLU A 147 2.144 -11.843 15.684 1.00 7.53 O ATOM 2177 OE2 GLU A 147 1.173 -13.546 16.648 1.00 7.52 O ATOM 0 H GLU A 147 -1.423 -9.942 12.366 1.00 3.12 H new ATOM 0 HA GLU A 147 -1.403 -12.220 14.158 1.00 3.62 H new ATOM 0 HB2 GLU A 147 0.393 -12.660 12.304 1.00 4.87 H new ATOM 0 HB3 GLU A 147 1.283 -11.498 13.268 1.00 4.87 H new ATOM 0 HG2 GLU A 147 -0.069 -13.914 14.501 1.00 5.65 H new ATOM 0 HG3 GLU A 147 1.547 -13.996 13.829 1.00 5.65 H new