USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 639 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: B 7 SER OG : rot -84:sc= 1.09 USER MOD Set 1.2: B 10 SER OG : rot -91:sc= 1.4 USER MOD Set 2.1: A 5 THR OG1 : rot -33:sc= 0.775 USER MOD Set 2.2: A 8 THR OG1 : rot 180:sc= -1.93! USER MOD Set 2.3: A 9 SER OG : rot -59:sc= 0.107 USER MOD Set 2.4: A 12 SER OG : rot -86:sc= 0.0358 USER MOD Single : A 1 ILE N :NH3+ -147:sc= -1.04 (180deg=-2.47!) USER MOD Single : A 4 HIS : no HD1:sc= -19.9! C(o=-20!,f=-21!) USER MOD Single : A 6 THR OG1 : rot 53:sc= -6.23! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0783 USER MOD Single : A 21 ASN : amide:sc= -5.31! K(o=-5.3!,f=-2) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -80:sc= 1.18 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= -3.37! (180deg=-3.39!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -23:sc= 0.167! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -154:sc= -0.479 (180deg=-2.45!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -170:sc= -1.11 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.08 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -8.3! C(o=-8.3!,f=-12!) USER MOD Single : A 68 HIS : no HE2:sc= -18.1! C(o=-18!,f=-18!) USER MOD Single : A 70 LYS NZ :NH3+ -128:sc= -3.97! (180deg=-5.07!) USER MOD Single : A 71 GLN : amide:sc= -5.87! C(o=-5.9!,f=-7!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -159:sc= -0.0847 (180deg=-0.485) USER MOD Single : B 3 TYR OH : rot -15:sc= -2.37! USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot -160:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 TYR OH : rot -129:sc= 0.353 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 7.517 15.654 -2.141 1.00 0.00 N ATOM 2 CA ILE A 1 6.299 14.994 -2.696 1.00 0.00 C ATOM 3 C ILE A 1 5.593 14.180 -1.607 1.00 0.00 C ATOM 4 O ILE A 1 6.161 13.879 -0.576 1.00 0.00 O ATOM 5 CB ILE A 1 6.811 14.078 -3.810 1.00 0.00 C ATOM 6 CG1 ILE A 1 7.714 12.996 -3.211 1.00 0.00 C ATOM 7 CG2 ILE A 1 7.609 14.901 -4.822 1.00 0.00 C ATOM 8 CD1 ILE A 1 7.067 11.625 -3.408 1.00 0.00 C ATOM 0 H1 ILE A 1 7.665 16.567 -2.617 1.00 0.00 H new ATOM 0 H2 ILE A 1 7.392 15.812 -1.121 1.00 0.00 H new ATOM 0 H3 ILE A 1 8.344 15.044 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 1 5.574 15.717 -3.069 1.00 0.00 H new ATOM 0 HB ILE A 1 5.963 13.609 -4.309 1.00 0.00 H new ATOM 0 HG12 ILE A 1 8.694 13.020 -3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 1 7.872 13.186 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.973 14.248 -5.615 1.00 0.00 H new ATOM 0 HG22 ILE A 1 6.968 15.671 -5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 1 8.455 15.372 -4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 1 7.710 10.855 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 1 6.098 11.605 -2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 1 6.932 11.436 -4.473 1.00 0.00 H new ATOM 22 N VAL A 2 4.355 13.827 -1.828 1.00 0.00 N ATOM 23 CA VAL A 2 3.606 13.037 -0.806 1.00 0.00 C ATOM 24 C VAL A 2 3.314 11.633 -1.335 1.00 0.00 C ATOM 25 O VAL A 2 3.342 11.390 -2.525 1.00 0.00 O ATOM 26 CB VAL A 2 2.297 13.798 -0.602 1.00 0.00 C ATOM 27 CG1 VAL A 2 1.621 13.331 0.685 1.00 0.00 C ATOM 28 CG2 VAL A 2 2.584 15.296 -0.506 1.00 0.00 C ATOM 0 H VAL A 2 3.829 14.051 -2.673 1.00 0.00 H new ATOM 0 HA VAL A 2 4.170 12.925 0.120 1.00 0.00 H new ATOM 0 HB VAL A 2 1.638 13.605 -1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.688 13.877 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.410 12.264 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.282 13.518 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.649 15.837 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.248 15.486 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.060 15.635 -1.426 1.00 0.00 H new ATOM 38 N CYS A 3 3.035 10.705 -0.462 1.00 0.00 N ATOM 39 CA CYS A 3 2.744 9.321 -0.924 1.00 0.00 C ATOM 40 C CYS A 3 1.456 8.809 -0.282 1.00 0.00 C ATOM 41 O CYS A 3 1.005 9.335 0.711 1.00 0.00 O ATOM 42 CB CYS A 3 3.934 8.503 -0.461 1.00 0.00 C ATOM 43 SG CYS A 3 5.464 9.354 -0.918 1.00 0.00 S ATOM 0 H CYS A 3 2.996 10.845 0.548 1.00 0.00 H new ATOM 0 HA CYS A 3 2.601 9.263 -2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.893 8.360 0.619 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.907 7.512 -0.915 1.00 0.00 H new ATOM 48 N HIS A 4 0.865 7.781 -0.833 1.00 0.00 N ATOM 49 CA HIS A 4 -0.399 7.250 -0.241 1.00 0.00 C ATOM 50 C HIS A 4 -0.119 6.054 0.650 1.00 0.00 C ATOM 51 O HIS A 4 0.860 5.357 0.474 1.00 0.00 O ATOM 52 CB HIS A 4 -1.251 6.809 -1.411 1.00 0.00 C ATOM 53 CG HIS A 4 -1.222 7.846 -2.495 1.00 0.00 C ATOM 54 ND1 HIS A 4 -1.395 9.189 -2.226 1.00 0.00 N ATOM 55 CD2 HIS A 4 -1.053 7.752 -3.851 1.00 0.00 C ATOM 56 CE1 HIS A 4 -1.326 9.851 -3.396 1.00 0.00 C ATOM 57 NE2 HIS A 4 -1.118 9.020 -4.421 1.00 0.00 N ATOM 0 H HIS A 4 1.200 7.289 -1.661 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.889 8.009 0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.885 5.858 -1.798 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.277 6.646 -1.082 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.893 6.833 -4.395 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -1.426 10.922 -3.494 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.027 9.262 -5.408 1.00 0.00 H new ATOM 65 N THR A 5 -0.974 5.783 1.596 1.00 0.00 N ATOM 66 CA THR A 5 -0.729 4.606 2.455 1.00 0.00 C ATOM 67 C THR A 5 -1.907 3.653 2.393 1.00 0.00 C ATOM 68 O THR A 5 -2.978 3.901 2.911 1.00 0.00 O ATOM 69 CB THR A 5 -0.545 5.105 3.879 1.00 0.00 C ATOM 70 OG1 THR A 5 -1.762 4.955 4.591 1.00 0.00 O ATOM 71 CG2 THR A 5 -0.097 6.571 3.902 1.00 0.00 C ATOM 0 H THR A 5 -1.816 6.319 1.805 1.00 0.00 H new ATOM 0 HA THR A 5 0.158 4.070 2.116 1.00 0.00 H new ATOM 0 HB THR A 5 0.235 4.512 4.356 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.517 5.090 3.981 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.026 6.898 4.935 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.852 6.670 3.375 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.850 7.189 3.413 1.00 0.00 H new ATOM 79 N THR A 6 -1.682 2.553 1.788 1.00 0.00 N ATOM 80 CA THR A 6 -2.728 1.506 1.698 1.00 0.00 C ATOM 81 C THR A 6 -2.549 0.564 2.887 1.00 0.00 C ATOM 82 O THR A 6 -3.432 -0.186 3.253 1.00 0.00 O ATOM 83 CB THR A 6 -2.428 0.767 0.391 1.00 0.00 C ATOM 84 OG1 THR A 6 -1.072 0.980 0.043 1.00 0.00 O ATOM 85 CG2 THR A 6 -3.321 1.293 -0.732 1.00 0.00 C ATOM 0 H THR A 6 -0.799 2.315 1.336 1.00 0.00 H new ATOM 0 HA THR A 6 -3.745 1.899 1.712 1.00 0.00 H new ATOM 0 HB THR A 6 -2.621 -0.297 0.529 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.499 0.743 0.802 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.097 0.759 -1.655 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.367 1.138 -0.468 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.137 2.358 -0.875 1.00 0.00 H new ATOM 93 N ALA A 7 -1.373 0.582 3.460 1.00 0.00 N ATOM 94 CA ALA A 7 -1.062 -0.325 4.597 1.00 0.00 C ATOM 95 C ALA A 7 -1.288 0.323 5.969 1.00 0.00 C ATOM 96 O ALA A 7 -1.694 -0.336 6.906 1.00 0.00 O ATOM 97 CB ALA A 7 0.409 -0.678 4.393 1.00 0.00 C ATOM 0 H ALA A 7 -0.607 1.196 3.182 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.721 -1.194 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.736 -1.349 5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.535 -1.170 3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.008 0.232 4.417 1.00 0.00 H new ATOM 103 N THR A 8 -1.012 1.587 6.116 1.00 0.00 N ATOM 104 CA THR A 8 -1.199 2.226 7.454 1.00 0.00 C ATOM 105 C THR A 8 -2.545 2.948 7.502 1.00 0.00 C ATOM 106 O THR A 8 -3.582 2.323 7.608 1.00 0.00 O ATOM 107 CB THR A 8 -0.038 3.213 7.586 1.00 0.00 C ATOM 108 OG1 THR A 8 0.246 3.780 6.315 1.00 0.00 O ATOM 109 CG2 THR A 8 1.199 2.483 8.109 1.00 0.00 C ATOM 0 H THR A 8 -0.669 2.203 5.379 1.00 0.00 H new ATOM 0 HA THR A 8 -1.203 1.502 8.269 1.00 0.00 H new ATOM 0 HB THR A 8 -0.311 4.004 8.284 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.989 4.414 6.398 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.025 3.188 8.202 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.980 2.049 9.085 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.475 1.691 7.413 1.00 0.00 H new ATOM 117 N SER A 9 -2.559 4.248 7.409 1.00 0.00 N ATOM 118 CA SER A 9 -3.864 4.955 7.433 1.00 0.00 C ATOM 119 C SER A 9 -4.606 4.615 6.146 1.00 0.00 C ATOM 120 O SER A 9 -4.083 3.902 5.312 1.00 0.00 O ATOM 121 CB SER A 9 -3.520 6.443 7.487 1.00 0.00 C ATOM 122 OG SER A 9 -3.601 6.991 6.178 1.00 0.00 O ATOM 0 H SER A 9 -1.735 4.842 7.319 1.00 0.00 H new ATOM 0 HA SER A 9 -4.495 4.675 8.276 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.207 6.963 8.155 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.517 6.582 7.891 1.00 0.00 H new ATOM 0 HG SER A 9 -2.978 6.519 5.587 1.00 0.00 H new ATOM 128 N PRO A 10 -5.794 5.121 6.008 1.00 0.00 N ATOM 129 CA PRO A 10 -6.570 4.835 4.789 1.00 0.00 C ATOM 130 C PRO A 10 -5.928 5.500 3.585 1.00 0.00 C ATOM 131 O PRO A 10 -5.325 6.550 3.690 1.00 0.00 O ATOM 132 CB PRO A 10 -7.944 5.411 5.079 1.00 0.00 C ATOM 133 CG PRO A 10 -7.711 6.450 6.132 1.00 0.00 C ATOM 134 CD PRO A 10 -6.518 5.994 6.937 1.00 0.00 C ATOM 0 HA PRO A 10 -6.617 3.772 4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.386 5.848 4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.630 4.640 5.430 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.523 7.424 5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.589 6.559 6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.904 6.836 7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.821 5.459 7.837 1.00 0.00 H new ATOM 142 N ILE A 11 -6.036 4.876 2.449 1.00 0.00 N ATOM 143 CA ILE A 11 -5.421 5.440 1.224 1.00 0.00 C ATOM 144 C ILE A 11 -5.573 6.952 1.215 1.00 0.00 C ATOM 145 O ILE A 11 -6.635 7.505 1.002 1.00 0.00 O ATOM 146 CB ILE A 11 -6.111 4.754 0.034 1.00 0.00 C ATOM 147 CG1 ILE A 11 -5.015 4.026 -0.750 1.00 0.00 C ATOM 148 CG2 ILE A 11 -6.821 5.775 -0.873 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.417 3.850 -2.217 1.00 0.00 C ATOM 0 H ILE A 11 -6.528 3.992 2.317 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.348 5.253 1.172 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.876 4.064 0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.084 4.589 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.828 3.051 -0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.298 5.254 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.577 6.309 -0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.092 6.486 -1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.622 3.330 -2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.335 3.266 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.580 4.828 -2.669 1.00 0.00 H new ATOM 161 N SER A 12 -4.491 7.602 1.460 1.00 0.00 N ATOM 162 CA SER A 12 -4.469 9.079 1.496 1.00 0.00 C ATOM 163 C SER A 12 -3.026 9.508 1.315 1.00 0.00 C ATOM 164 O SER A 12 -2.117 8.806 1.723 1.00 0.00 O ATOM 165 CB SER A 12 -4.985 9.461 2.882 1.00 0.00 C ATOM 166 OG SER A 12 -3.951 9.270 3.838 1.00 0.00 O ATOM 0 H SER A 12 -3.590 7.161 1.643 1.00 0.00 H new ATOM 0 HA SER A 12 -5.075 9.551 0.723 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.313 10.501 2.887 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.852 8.852 3.140 1.00 0.00 H new ATOM 0 HG SER A 12 -3.956 8.339 4.143 1.00 0.00 H new ATOM 172 N ALA A 13 -2.794 10.620 0.686 1.00 0.00 N ATOM 173 CA ALA A 13 -1.391 11.039 0.464 1.00 0.00 C ATOM 174 C ALA A 13 -0.880 11.925 1.583 1.00 0.00 C ATOM 175 O ALA A 13 -1.222 13.087 1.676 1.00 0.00 O ATOM 176 CB ALA A 13 -1.397 11.824 -0.830 1.00 0.00 C ATOM 0 H ALA A 13 -3.507 11.251 0.320 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.738 10.167 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.386 12.165 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.753 11.187 -1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.056 12.686 -0.730 1.00 0.00 H new ATOM 182 N VAL A 14 -0.026 11.407 2.406 1.00 0.00 N ATOM 183 CA VAL A 14 0.540 12.250 3.476 1.00 0.00 C ATOM 184 C VAL A 14 2.042 12.347 3.274 1.00 0.00 C ATOM 185 O VAL A 14 2.691 11.419 2.819 1.00 0.00 O ATOM 186 CB VAL A 14 0.207 11.574 4.815 1.00 0.00 C ATOM 187 CG1 VAL A 14 -1.152 10.892 4.723 1.00 0.00 C ATOM 188 CG2 VAL A 14 1.284 10.541 5.170 1.00 0.00 C ATOM 0 H VAL A 14 0.303 10.442 2.384 1.00 0.00 H new ATOM 0 HA VAL A 14 0.126 13.258 3.462 1.00 0.00 H new ATOM 0 HB VAL A 14 0.177 12.334 5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.384 10.414 5.675 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.917 11.634 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.129 10.139 3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.036 10.069 6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.331 9.782 4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.251 11.037 5.252 1.00 0.00 H new ATOM 198 N THR A 15 2.588 13.460 3.605 1.00 0.00 N ATOM 199 CA THR A 15 4.054 13.637 3.453 1.00 0.00 C ATOM 200 C THR A 15 4.779 12.552 4.254 1.00 0.00 C ATOM 201 O THR A 15 4.329 12.143 5.306 1.00 0.00 O ATOM 202 CB THR A 15 4.344 15.009 4.041 1.00 0.00 C ATOM 203 OG1 THR A 15 3.323 15.918 3.651 1.00 0.00 O ATOM 204 CG2 THR A 15 5.696 15.501 3.528 1.00 0.00 C ATOM 0 H THR A 15 2.088 14.267 3.978 1.00 0.00 H new ATOM 0 HA THR A 15 4.385 13.561 2.417 1.00 0.00 H new ATOM 0 HB THR A 15 4.370 14.944 5.129 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.509 16.802 4.031 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.908 16.485 3.947 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.476 14.802 3.830 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.670 15.568 2.440 1.00 0.00 H new ATOM 212 N CYS A 16 5.887 12.073 3.766 1.00 0.00 N ATOM 213 CA CYS A 16 6.621 11.008 4.504 1.00 0.00 C ATOM 214 C CYS A 16 7.620 11.619 5.492 1.00 0.00 C ATOM 215 O CYS A 16 7.952 12.784 5.403 1.00 0.00 O ATOM 216 CB CYS A 16 7.349 10.221 3.417 1.00 0.00 C ATOM 217 SG CYS A 16 6.184 9.814 2.093 1.00 0.00 S ATOM 0 H CYS A 16 6.316 12.371 2.890 1.00 0.00 H new ATOM 0 HA CYS A 16 5.954 10.380 5.094 1.00 0.00 H new ATOM 0 HB2 CYS A 16 8.178 10.807 3.020 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.775 9.309 3.835 1.00 0.00 H new ATOM 222 N PRO A 17 8.063 10.797 6.405 1.00 0.00 N ATOM 223 CA PRO A 17 9.038 11.241 7.435 1.00 0.00 C ATOM 224 C PRO A 17 10.422 11.436 6.810 1.00 0.00 C ATOM 225 O PRO A 17 10.618 11.163 5.642 1.00 0.00 O ATOM 226 CB PRO A 17 9.048 10.085 8.434 1.00 0.00 C ATOM 227 CG PRO A 17 8.610 8.889 7.651 1.00 0.00 C ATOM 228 CD PRO A 17 7.699 9.385 6.560 1.00 0.00 C ATOM 0 HA PRO A 17 8.777 12.194 7.895 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.042 9.937 8.856 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.373 10.279 9.268 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.470 8.369 7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.091 8.177 8.293 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.848 8.831 5.633 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.650 9.271 6.834 1.00 0.00 H new ATOM 236 N PRO A 18 11.343 11.902 7.612 1.00 0.00 N ATOM 237 CA PRO A 18 12.727 12.133 7.128 1.00 0.00 C ATOM 238 C PRO A 18 13.414 10.799 6.820 1.00 0.00 C ATOM 239 O PRO A 18 13.761 10.045 7.707 1.00 0.00 O ATOM 240 CB PRO A 18 13.402 12.847 8.298 1.00 0.00 C ATOM 241 CG PRO A 18 12.609 12.444 9.498 1.00 0.00 C ATOM 242 CD PRO A 18 11.191 12.254 9.030 1.00 0.00 C ATOM 0 HA PRO A 18 12.771 12.712 6.206 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.446 12.548 8.395 1.00 0.00 H new ATOM 0 HB3 PRO A 18 13.391 13.928 8.161 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.001 11.524 9.931 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.662 13.209 10.273 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.686 11.465 9.588 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.601 13.162 9.157 1.00 0.00 H new ATOM 250 N GLY A 19 13.605 10.505 5.563 1.00 0.00 N ATOM 251 CA GLY A 19 14.261 9.223 5.181 1.00 0.00 C ATOM 252 C GLY A 19 13.748 8.791 3.808 1.00 0.00 C ATOM 253 O GLY A 19 14.495 8.702 2.855 1.00 0.00 O ATOM 0 H GLY A 19 13.333 11.101 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.344 9.347 5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.045 8.454 5.923 1.00 0.00 H new ATOM 257 N GLU A 20 12.474 8.527 3.699 1.00 0.00 N ATOM 258 CA GLU A 20 11.909 8.110 2.393 1.00 0.00 C ATOM 259 C GLU A 20 11.932 9.285 1.416 1.00 0.00 C ATOM 260 O GLU A 20 11.176 10.228 1.543 1.00 0.00 O ATOM 261 CB GLU A 20 10.476 7.701 2.717 1.00 0.00 C ATOM 262 CG GLU A 20 10.492 6.362 3.454 1.00 0.00 C ATOM 263 CD GLU A 20 10.712 6.605 4.948 1.00 0.00 C ATOM 264 OE1 GLU A 20 10.259 7.629 5.433 1.00 0.00 O ATOM 265 OE2 GLU A 20 11.330 5.765 5.580 1.00 0.00 O ATOM 0 H GLU A 20 11.801 8.584 4.464 1.00 0.00 H new ATOM 0 HA GLU A 20 12.471 7.302 1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.998 8.463 3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.892 7.619 1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.551 5.836 3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.284 5.726 3.058 1.00 0.00 H new ATOM 272 N ASN A 21 12.802 9.240 0.447 1.00 0.00 N ATOM 273 CA ASN A 21 12.883 10.355 -0.533 1.00 0.00 C ATOM 274 C ASN A 21 11.738 10.257 -1.543 1.00 0.00 C ATOM 275 O ASN A 21 11.419 11.210 -2.226 1.00 0.00 O ATOM 276 CB ASN A 21 14.232 10.171 -1.228 1.00 0.00 C ATOM 277 CG ASN A 21 15.326 9.919 -0.185 1.00 0.00 C ATOM 278 OD1 ASN A 21 16.392 9.439 -0.515 1.00 0.00 O ATOM 279 ND2 ASN A 21 15.111 10.224 1.068 1.00 0.00 N ATOM 0 H ASN A 21 13.461 8.477 0.292 1.00 0.00 H new ATOM 0 HA ASN A 21 12.800 11.332 -0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.181 9.334 -1.924 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.473 11.058 -1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.837 10.059 1.765 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.217 10.627 1.349 1.00 0.00 H new ATOM 286 N LEU A 22 11.114 9.114 -1.645 1.00 0.00 N ATOM 287 CA LEU A 22 9.991 8.972 -2.615 1.00 0.00 C ATOM 288 C LEU A 22 8.935 8.005 -2.085 1.00 0.00 C ATOM 289 O LEU A 22 8.980 7.576 -0.952 1.00 0.00 O ATOM 290 CB LEU A 22 10.627 8.409 -3.884 1.00 0.00 C ATOM 291 CG LEU A 22 11.110 6.978 -3.634 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.375 6.016 -4.572 1.00 0.00 C ATOM 293 CD2 LEU A 22 12.611 6.902 -3.910 1.00 0.00 C ATOM 0 H LEU A 22 11.332 8.278 -1.102 1.00 0.00 H new ATOM 0 HA LEU A 22 9.489 9.924 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.904 8.421 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.464 9.036 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 22 10.908 6.700 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.720 4.998 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.303 6.074 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.578 6.291 -5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.962 5.885 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.805 7.179 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.138 7.588 -3.247 1.00 0.00 H new ATOM 305 N CYS A 23 7.986 7.662 -2.906 1.00 0.00 N ATOM 306 CA CYS A 23 6.920 6.722 -2.477 1.00 0.00 C ATOM 307 C CYS A 23 7.201 5.342 -3.057 1.00 0.00 C ATOM 308 O CYS A 23 8.135 5.155 -3.808 1.00 0.00 O ATOM 309 CB CYS A 23 5.635 7.273 -3.078 1.00 0.00 C ATOM 310 SG CYS A 23 5.584 9.074 -2.910 1.00 0.00 S ATOM 0 H CYS A 23 7.903 7.997 -3.866 1.00 0.00 H new ATOM 0 HA CYS A 23 6.861 6.631 -1.392 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.571 6.997 -4.131 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.773 6.830 -2.579 1.00 0.00 H new ATOM 315 N TYR A 24 6.395 4.375 -2.745 1.00 0.00 N ATOM 316 CA TYR A 24 6.643 3.028 -3.309 1.00 0.00 C ATOM 317 C TYR A 24 5.387 2.180 -3.290 1.00 0.00 C ATOM 318 O TYR A 24 4.484 2.413 -2.531 1.00 0.00 O ATOM 319 CB TYR A 24 7.702 2.398 -2.416 1.00 0.00 C ATOM 320 CG TYR A 24 7.060 1.941 -1.134 1.00 0.00 C ATOM 321 CD1 TYR A 24 6.981 2.811 -0.053 1.00 0.00 C ATOM 322 CD2 TYR A 24 6.540 0.649 -1.038 1.00 0.00 C ATOM 323 CE1 TYR A 24 6.382 2.395 1.142 1.00 0.00 C ATOM 324 CE2 TYR A 24 5.939 0.226 0.154 1.00 0.00 C ATOM 325 CZ TYR A 24 5.861 1.100 1.246 1.00 0.00 C ATOM 326 OH TYR A 24 5.271 0.685 2.422 1.00 0.00 O ATOM 0 H TYR A 24 5.584 4.456 -2.131 1.00 0.00 H new ATOM 0 HA TYR A 24 6.962 3.096 -4.349 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.168 1.554 -2.924 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.492 3.119 -2.204 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.383 3.810 -0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.601 -0.023 -1.881 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.322 3.072 1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.536 -0.773 0.231 1.00 0.00 H new ATOM 0 HH TYR A 24 4.961 -0.240 2.324 1.00 0.00 H new ATOM 336 N ARG A 25 5.341 1.180 -4.103 1.00 0.00 N ATOM 337 CA ARG A 25 4.139 0.303 -4.106 1.00 0.00 C ATOM 338 C ARG A 25 4.534 -1.130 -3.732 1.00 0.00 C ATOM 339 O ARG A 25 5.225 -1.795 -4.474 1.00 0.00 O ATOM 340 CB ARG A 25 3.615 0.353 -5.541 1.00 0.00 C ATOM 341 CG ARG A 25 3.624 1.799 -6.039 1.00 0.00 C ATOM 342 CD ARG A 25 2.543 1.982 -7.106 1.00 0.00 C ATOM 343 NE ARG A 25 3.285 2.052 -8.395 1.00 0.00 N ATOM 344 CZ ARG A 25 2.631 2.056 -9.524 1.00 0.00 C ATOM 345 NH1 ARG A 25 2.152 3.175 -9.997 1.00 0.00 N ATOM 346 NH2 ARG A 25 2.457 0.942 -10.181 1.00 0.00 N ATOM 0 H ARG A 25 6.074 0.926 -4.765 1.00 0.00 H new ATOM 0 HA ARG A 25 3.388 0.628 -3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.235 -0.269 -6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.604 -0.051 -5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.448 2.481 -5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.602 2.046 -6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.838 1.151 -7.101 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.966 2.890 -6.932 1.00 0.00 H new ATOM 0 HE ARG A 25 4.304 2.097 -8.395 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.289 4.046 -9.484 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.641 3.178 -10.880 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.832 0.068 -9.812 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.946 0.945 -11.064 1.00 0.00 H new ATOM 360 N LYS A 26 4.097 -1.631 -2.605 1.00 0.00 N ATOM 361 CA LYS A 26 4.475 -3.022 -2.253 1.00 0.00 C ATOM 362 C LYS A 26 3.345 -3.964 -2.595 1.00 0.00 C ATOM 363 O LYS A 26 2.214 -3.566 -2.790 1.00 0.00 O ATOM 364 CB LYS A 26 4.727 -3.054 -0.744 1.00 0.00 C ATOM 365 CG LYS A 26 6.220 -3.238 -0.486 1.00 0.00 C ATOM 366 CD LYS A 26 6.563 -2.762 0.927 1.00 0.00 C ATOM 367 CE LYS A 26 7.749 -1.797 0.865 1.00 0.00 C ATOM 368 NZ LYS A 26 8.913 -2.590 1.351 1.00 0.00 N ATOM 0 H LYS A 26 3.507 -1.145 -1.929 1.00 0.00 H new ATOM 0 HA LYS A 26 5.362 -3.332 -2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.378 -2.129 -0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.164 -3.868 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.492 -4.287 -0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.797 -2.675 -1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.701 -2.268 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.807 -3.615 1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.913 -1.437 -0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.579 -0.921 1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.767 -1.997 1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.731 -2.914 2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.055 -3.414 0.732 1.00 0.00 H new ATOM 382 N MET A 27 3.644 -5.213 -2.646 1.00 0.00 N ATOM 383 CA MET A 27 2.598 -6.206 -2.950 1.00 0.00 C ATOM 384 C MET A 27 3.036 -7.554 -2.431 1.00 0.00 C ATOM 385 O MET A 27 4.198 -7.781 -2.158 1.00 0.00 O ATOM 386 CB MET A 27 2.454 -6.211 -4.471 1.00 0.00 C ATOM 387 CG MET A 27 1.024 -5.818 -4.848 1.00 0.00 C ATOM 388 SD MET A 27 0.844 -5.843 -6.648 1.00 0.00 S ATOM 389 CE MET A 27 -0.337 -7.212 -6.738 1.00 0.00 C ATOM 0 H MET A 27 4.576 -5.597 -2.489 1.00 0.00 H new ATOM 0 HA MET A 27 1.643 -5.971 -2.480 1.00 0.00 H new ATOM 0 HB2 MET A 27 3.164 -5.514 -4.917 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.687 -7.200 -4.866 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.314 -6.508 -4.392 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.795 -4.824 -4.463 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.593 -7.404 -7.780 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.109 -8.107 -6.303 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.239 -6.951 -6.185 1.00 0.00 H new ATOM 399 N TRP A 28 2.118 -8.443 -2.256 1.00 0.00 N ATOM 400 CA TRP A 28 2.500 -9.758 -1.713 1.00 0.00 C ATOM 401 C TRP A 28 1.291 -10.693 -1.684 1.00 0.00 C ATOM 402 O TRP A 28 0.924 -11.274 -2.683 1.00 0.00 O ATOM 403 CB TRP A 28 3.009 -9.449 -0.298 1.00 0.00 C ATOM 404 CG TRP A 28 2.340 -8.234 0.309 1.00 0.00 C ATOM 405 CD1 TRP A 28 1.004 -8.062 0.501 1.00 0.00 C ATOM 406 CD2 TRP A 28 2.975 -7.030 0.831 1.00 0.00 C ATOM 407 NE1 TRP A 28 0.793 -6.840 1.122 1.00 0.00 N ATOM 408 CE2 TRP A 28 1.978 -6.170 1.344 1.00 0.00 C ATOM 409 CE3 TRP A 28 4.310 -6.612 0.911 1.00 0.00 C ATOM 410 CZ2 TRP A 28 2.303 -4.940 1.921 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.641 -5.376 1.484 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.639 -4.543 1.993 1.00 0.00 C ATOM 0 H TRP A 28 1.127 -8.319 -2.463 1.00 0.00 H new ATOM 0 HA TRP A 28 3.255 -10.265 -2.314 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.835 -10.313 0.343 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.086 -9.288 -0.331 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.233 -8.763 0.216 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.125 -6.481 1.382 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.093 -7.249 0.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.525 -4.300 2.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.674 -5.066 1.533 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.899 -3.595 2.441 1.00 0.00 H new ATOM 423 N CYS A 29 0.670 -10.840 -0.553 1.00 0.00 N ATOM 424 CA CYS A 29 -0.519 -11.722 -0.455 1.00 0.00 C ATOM 425 C CYS A 29 -1.657 -10.953 0.213 1.00 0.00 C ATOM 426 O CYS A 29 -1.451 -9.901 0.783 1.00 0.00 O ATOM 427 CB CYS A 29 -0.067 -12.859 0.439 1.00 0.00 C ATOM 428 SG CYS A 29 1.314 -13.737 -0.334 1.00 0.00 S ATOM 0 H CYS A 29 0.938 -10.382 0.318 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.876 -12.072 -1.423 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.236 -12.471 1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.894 -13.547 0.614 1.00 0.00 H new ATOM 433 N ASP A 30 -2.850 -11.466 0.161 1.00 0.00 N ATOM 434 CA ASP A 30 -3.982 -10.751 0.808 1.00 0.00 C ATOM 435 C ASP A 30 -4.900 -11.751 1.515 1.00 0.00 C ATOM 436 O ASP A 30 -5.985 -12.049 1.057 1.00 0.00 O ATOM 437 CB ASP A 30 -4.703 -10.038 -0.335 1.00 0.00 C ATOM 438 CG ASP A 30 -5.430 -11.057 -1.213 1.00 0.00 C ATOM 439 OD1 ASP A 30 -5.108 -12.230 -1.118 1.00 0.00 O ATOM 440 OD2 ASP A 30 -6.298 -10.647 -1.967 1.00 0.00 O ATOM 0 H ASP A 30 -3.091 -12.344 -0.298 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.654 -10.045 1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.416 -9.318 0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.986 -9.476 -0.934 1.00 0.00 H new ATOM 445 N ALA A 31 -4.456 -12.273 2.632 1.00 0.00 N ATOM 446 CA ALA A 31 -5.270 -13.266 3.406 1.00 0.00 C ATOM 447 C ALA A 31 -5.165 -14.665 2.782 1.00 0.00 C ATOM 448 O ALA A 31 -5.163 -15.659 3.480 1.00 0.00 O ATOM 449 CB ALA A 31 -6.715 -12.758 3.361 1.00 0.00 C ATOM 0 H ALA A 31 -3.551 -12.051 3.047 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.913 -13.355 4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.359 -13.444 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.767 -11.768 3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.048 -12.700 2.325 1.00 0.00 H new ATOM 455 N PHE A 32 -5.083 -14.759 1.480 1.00 0.00 N ATOM 456 CA PHE A 32 -4.985 -16.105 0.844 1.00 0.00 C ATOM 457 C PHE A 32 -3.919 -16.121 -0.258 1.00 0.00 C ATOM 458 O PHE A 32 -3.640 -17.150 -0.839 1.00 0.00 O ATOM 459 CB PHE A 32 -6.370 -16.358 0.251 1.00 0.00 C ATOM 460 CG PHE A 32 -7.345 -16.644 1.366 1.00 0.00 C ATOM 461 CD1 PHE A 32 -7.211 -17.810 2.129 1.00 0.00 C ATOM 462 CD2 PHE A 32 -8.380 -15.743 1.640 1.00 0.00 C ATOM 463 CE1 PHE A 32 -8.113 -18.076 3.165 1.00 0.00 C ATOM 464 CE2 PHE A 32 -9.282 -16.008 2.678 1.00 0.00 C ATOM 465 CZ PHE A 32 -9.149 -17.174 3.440 1.00 0.00 C ATOM 0 H PHE A 32 -5.080 -13.969 0.835 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.693 -16.871 1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.698 -15.490 -0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.334 -17.200 -0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.411 -18.504 1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.483 -14.844 1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.011 -18.976 3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.080 -15.312 2.890 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.845 -17.379 4.240 1.00 0.00 H new ATOM 475 N CYS A 33 -3.321 -14.995 -0.552 1.00 0.00 N ATOM 476 CA CYS A 33 -2.277 -14.962 -1.620 1.00 0.00 C ATOM 477 C CYS A 33 -2.712 -15.822 -2.809 1.00 0.00 C ATOM 478 O CYS A 33 -1.911 -16.496 -3.427 1.00 0.00 O ATOM 479 CB CYS A 33 -1.023 -15.550 -0.972 1.00 0.00 C ATOM 480 SG CYS A 33 0.447 -14.860 -1.771 1.00 0.00 S ATOM 0 H CYS A 33 -3.510 -14.100 -0.101 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.107 -13.953 -1.997 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.011 -15.323 0.094 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.026 -16.636 -1.067 1.00 0.00 H new ATOM 485 N SER A 34 -3.976 -15.810 -3.130 1.00 0.00 N ATOM 486 CA SER A 34 -4.460 -16.636 -4.276 1.00 0.00 C ATOM 487 C SER A 34 -5.912 -16.291 -4.623 1.00 0.00 C ATOM 488 O SER A 34 -6.316 -16.354 -5.767 1.00 0.00 O ATOM 489 CB SER A 34 -4.361 -18.080 -3.788 1.00 0.00 C ATOM 490 OG SER A 34 -5.228 -18.259 -2.675 1.00 0.00 O ATOM 0 H SER A 34 -4.694 -15.266 -2.651 1.00 0.00 H new ATOM 0 HA SER A 34 -3.874 -16.461 -5.178 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.633 -18.767 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.334 -18.311 -3.505 1.00 0.00 H new ATOM 0 HG SER A 34 -4.796 -17.914 -1.865 1.00 0.00 H new ATOM 496 N SER A 35 -6.701 -15.931 -3.648 1.00 0.00 N ATOM 497 CA SER A 35 -8.124 -15.589 -3.934 1.00 0.00 C ATOM 498 C SER A 35 -8.200 -14.278 -4.720 1.00 0.00 C ATOM 499 O SER A 35 -8.137 -14.268 -5.933 1.00 0.00 O ATOM 500 CB SER A 35 -8.778 -15.434 -2.561 1.00 0.00 C ATOM 501 OG SER A 35 -9.420 -16.651 -2.206 1.00 0.00 O ATOM 0 H SER A 35 -6.424 -15.859 -2.669 1.00 0.00 H new ATOM 0 HA SER A 35 -8.622 -16.350 -4.536 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.027 -15.175 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.502 -14.620 -2.580 1.00 0.00 H new ATOM 0 HG SER A 35 -9.839 -16.555 -1.325 1.00 0.00 H new ATOM 507 N ARG A 36 -8.325 -13.172 -4.041 1.00 0.00 N ATOM 508 CA ARG A 36 -8.395 -11.866 -4.755 1.00 0.00 C ATOM 509 C ARG A 36 -6.981 -11.340 -5.006 1.00 0.00 C ATOM 510 O ARG A 36 -6.630 -10.253 -4.591 1.00 0.00 O ATOM 511 CB ARG A 36 -9.153 -10.937 -3.805 1.00 0.00 C ATOM 512 CG ARG A 36 -10.396 -11.651 -3.269 1.00 0.00 C ATOM 513 CD ARG A 36 -11.314 -12.032 -4.433 1.00 0.00 C ATOM 514 NE ARG A 36 -11.885 -13.354 -4.053 1.00 0.00 N ATOM 515 CZ ARG A 36 -12.906 -13.415 -3.243 1.00 0.00 C ATOM 516 NH1 ARG A 36 -14.119 -13.313 -3.713 1.00 0.00 N ATOM 517 NH2 ARG A 36 -12.714 -13.579 -1.962 1.00 0.00 N ATOM 0 H ARG A 36 -8.382 -13.115 -3.024 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.888 -11.943 -5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.507 -10.640 -2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.442 -10.025 -4.327 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.104 -12.544 -2.716 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.927 -11.003 -2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.099 -11.289 -4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.759 -12.095 -5.369 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.478 -14.212 -4.426 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.269 -13.186 -4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.917 -13.361 -3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.766 -13.659 -1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.512 -13.627 -1.329 1.00 0.00 H new ATOM 531 N GLY A 37 -6.161 -12.107 -5.673 1.00 0.00 N ATOM 532 CA GLY A 37 -4.769 -11.649 -5.934 1.00 0.00 C ATOM 533 C GLY A 37 -4.138 -11.226 -4.609 1.00 0.00 C ATOM 534 O GLY A 37 -4.574 -11.633 -3.552 1.00 0.00 O ATOM 0 H GLY A 37 -6.395 -13.027 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.187 -12.449 -6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.771 -10.815 -6.636 1.00 0.00 H new ATOM 538 N LYS A 38 -3.132 -10.398 -4.645 1.00 0.00 N ATOM 539 CA LYS A 38 -2.508 -9.939 -3.374 1.00 0.00 C ATOM 540 C LYS A 38 -3.183 -8.644 -2.950 1.00 0.00 C ATOM 541 O LYS A 38 -4.353 -8.428 -3.196 1.00 0.00 O ATOM 542 CB LYS A 38 -1.038 -9.671 -3.706 1.00 0.00 C ATOM 543 CG LYS A 38 -0.517 -10.701 -4.714 1.00 0.00 C ATOM 544 CD LYS A 38 -0.906 -12.113 -4.268 1.00 0.00 C ATOM 545 CE LYS A 38 -1.634 -12.825 -5.410 1.00 0.00 C ATOM 546 NZ LYS A 38 -2.281 -14.007 -4.776 1.00 0.00 N ATOM 0 H LYS A 38 -2.716 -10.020 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.607 -10.668 -2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.929 -8.666 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.441 -9.711 -2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.930 -10.496 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.567 -10.623 -4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.016 -12.674 -3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.547 -12.064 -3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.373 -12.172 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.939 -13.128 -6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.896 -14.480 -5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.549 -14.671 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.850 -13.697 -3.963 1.00 0.00 H new ATOM 560 N VAL A 39 -2.441 -7.764 -2.360 1.00 0.00 N ATOM 561 CA VAL A 39 -3.012 -6.456 -1.967 1.00 0.00 C ATOM 562 C VAL A 39 -2.244 -5.380 -2.730 1.00 0.00 C ATOM 563 O VAL A 39 -1.733 -5.618 -3.806 1.00 0.00 O ATOM 564 CB VAL A 39 -2.778 -6.323 -0.452 1.00 0.00 C ATOM 565 CG1 VAL A 39 -3.777 -5.326 0.138 1.00 0.00 C ATOM 566 CG2 VAL A 39 -2.977 -7.675 0.237 1.00 0.00 C ATOM 0 H VAL A 39 -1.456 -7.894 -2.130 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.075 -6.362 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.758 -5.976 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.609 -5.234 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.643 -4.353 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.792 -5.679 -0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.808 -7.566 1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.995 -8.025 0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.270 -8.398 -0.170 1.00 0.00 H new ATOM 576 N VAL A 40 -2.119 -4.226 -2.168 1.00 0.00 N ATOM 577 CA VAL A 40 -1.350 -3.143 -2.819 1.00 0.00 C ATOM 578 C VAL A 40 -1.031 -2.149 -1.734 1.00 0.00 C ATOM 579 O VAL A 40 -1.805 -1.266 -1.423 1.00 0.00 O ATOM 580 CB VAL A 40 -2.249 -2.526 -3.876 1.00 0.00 C ATOM 581 CG1 VAL A 40 -1.592 -1.239 -4.358 1.00 0.00 C ATOM 582 CG2 VAL A 40 -2.387 -3.491 -5.054 1.00 0.00 C ATOM 0 H VAL A 40 -2.525 -3.979 -1.265 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.430 -3.485 -3.294 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.237 -2.322 -3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.218 -0.774 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.473 -0.554 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.614 -1.466 -4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.032 -3.049 -5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.404 -3.685 -5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.824 -4.428 -4.708 1.00 0.00 H new ATOM 592 N GLU A 41 0.070 -2.341 -1.099 1.00 0.00 N ATOM 593 CA GLU A 41 0.410 -1.469 0.036 1.00 0.00 C ATOM 594 C GLU A 41 1.559 -0.515 -0.293 1.00 0.00 C ATOM 595 O GLU A 41 2.687 -0.717 0.111 1.00 0.00 O ATOM 596 CB GLU A 41 0.785 -2.456 1.128 1.00 0.00 C ATOM 597 CG GLU A 41 -0.315 -3.519 1.239 1.00 0.00 C ATOM 598 CD GLU A 41 -0.864 -3.541 2.666 1.00 0.00 C ATOM 599 OE1 GLU A 41 -0.072 -3.675 3.584 1.00 0.00 O ATOM 600 OE2 GLU A 41 -2.069 -3.423 2.818 1.00 0.00 O ATOM 0 H GLU A 41 0.754 -3.066 -1.316 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.409 -0.809 0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.741 -2.926 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.905 -1.938 2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.117 -3.302 0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.084 -4.499 0.977 1.00 0.00 H new ATOM 607 N LEU A 42 1.270 0.536 -1.010 1.00 0.00 N ATOM 608 CA LEU A 42 2.332 1.525 -1.350 1.00 0.00 C ATOM 609 C LEU A 42 2.618 2.399 -0.128 1.00 0.00 C ATOM 610 O LEU A 42 2.141 2.140 0.959 1.00 0.00 O ATOM 611 CB LEU A 42 1.775 2.406 -2.488 1.00 0.00 C ATOM 612 CG LEU A 42 0.728 1.661 -3.319 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.667 2.090 -2.867 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.907 2.023 -4.792 1.00 0.00 C ATOM 0 H LEU A 42 0.343 0.753 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 42 3.254 1.027 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.331 3.308 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.592 2.726 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 42 0.847 0.586 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.418 1.563 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.798 1.849 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.782 3.164 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.164 1.495 -5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.779 3.098 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.906 1.735 -5.119 1.00 0.00 H new ATOM 626 N GLY A 43 3.380 3.442 -0.301 1.00 0.00 N ATOM 627 CA GLY A 43 3.679 4.344 0.855 1.00 0.00 C ATOM 628 C GLY A 43 4.983 5.109 0.601 1.00 0.00 C ATOM 629 O GLY A 43 5.201 5.631 -0.472 1.00 0.00 O ATOM 0 H GLY A 43 3.809 3.711 -1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.858 5.046 1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.764 3.759 1.771 1.00 0.00 H new ATOM 633 N CYS A 44 5.848 5.201 1.579 1.00 0.00 N ATOM 634 CA CYS A 44 7.118 5.949 1.374 1.00 0.00 C ATOM 635 C CYS A 44 8.328 5.021 1.501 1.00 0.00 C ATOM 636 O CYS A 44 8.241 3.934 2.036 1.00 0.00 O ATOM 637 CB CYS A 44 7.147 6.983 2.489 1.00 0.00 C ATOM 638 SG CYS A 44 5.603 7.923 2.498 1.00 0.00 S ATOM 0 H CYS A 44 5.728 4.791 2.505 1.00 0.00 H new ATOM 0 HA CYS A 44 7.163 6.396 0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.288 6.490 3.451 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.992 7.657 2.350 1.00 0.00 H new ATOM 643 N ALA A 45 9.457 5.453 1.017 1.00 0.00 N ATOM 644 CA ALA A 45 10.680 4.618 1.107 1.00 0.00 C ATOM 645 C ALA A 45 11.911 5.431 0.698 1.00 0.00 C ATOM 646 O ALA A 45 11.858 6.256 -0.194 1.00 0.00 O ATOM 647 CB ALA A 45 10.449 3.461 0.136 1.00 0.00 C ATOM 0 H ALA A 45 9.584 6.356 0.560 1.00 0.00 H new ATOM 0 HA ALA A 45 10.861 4.263 2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.314 2.798 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.562 2.905 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.306 3.854 -0.871 1.00 0.00 H new ATOM 653 N ALA A 46 13.018 5.206 1.352 1.00 0.00 N ATOM 654 CA ALA A 46 14.257 5.965 1.015 1.00 0.00 C ATOM 655 C ALA A 46 14.602 5.793 -0.466 1.00 0.00 C ATOM 656 O ALA A 46 15.009 6.725 -1.131 1.00 0.00 O ATOM 657 CB ALA A 46 15.347 5.349 1.893 1.00 0.00 C ATOM 0 H ALA A 46 13.118 4.528 2.107 1.00 0.00 H new ATOM 0 HA ALA A 46 14.145 7.035 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.295 5.854 1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.077 5.464 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.447 4.289 1.658 1.00 0.00 H new ATOM 663 N THR A 47 14.446 4.608 -0.987 1.00 0.00 N ATOM 664 CA THR A 47 14.767 4.376 -2.424 1.00 0.00 C ATOM 665 C THR A 47 14.154 3.055 -2.893 1.00 0.00 C ATOM 666 O THR A 47 13.973 2.137 -2.118 1.00 0.00 O ATOM 667 CB THR A 47 16.293 4.309 -2.483 1.00 0.00 C ATOM 668 OG1 THR A 47 16.794 3.865 -1.229 1.00 0.00 O ATOM 669 CG2 THR A 47 16.856 5.696 -2.797 1.00 0.00 C ATOM 0 H THR A 47 14.110 3.789 -0.480 1.00 0.00 H new ATOM 0 HA THR A 47 14.369 5.159 -3.069 1.00 0.00 H new ATOM 0 HB THR A 47 16.596 3.612 -3.264 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.772 3.820 -1.265 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.944 5.646 -2.839 1.00 0.00 H new ATOM 0 HG22 THR A 47 16.471 6.036 -3.759 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.554 6.396 -2.018 1.00 0.00 H new ATOM 677 N CYS A 48 13.833 2.954 -4.154 1.00 0.00 N ATOM 678 CA CYS A 48 13.229 1.693 -4.676 1.00 0.00 C ATOM 679 C CYS A 48 13.926 0.476 -4.064 1.00 0.00 C ATOM 680 O CYS A 48 14.998 0.094 -4.489 1.00 0.00 O ATOM 681 CB CYS A 48 13.464 1.740 -6.186 1.00 0.00 C ATOM 682 SG CYS A 48 12.669 3.213 -6.876 1.00 0.00 S ATOM 0 H CYS A 48 13.963 3.691 -4.847 1.00 0.00 H new ATOM 0 HA CYS A 48 12.171 1.609 -4.428 1.00 0.00 H new ATOM 0 HB2 CYS A 48 14.533 1.758 -6.398 1.00 0.00 H new ATOM 0 HB3 CYS A 48 13.061 0.843 -6.655 1.00 0.00 H new ATOM 687 N PRO A 49 13.285 -0.095 -3.080 1.00 0.00 N ATOM 688 CA PRO A 49 13.845 -1.284 -2.399 1.00 0.00 C ATOM 689 C PRO A 49 13.630 -2.535 -3.255 1.00 0.00 C ATOM 690 O PRO A 49 12.595 -2.706 -3.868 1.00 0.00 O ATOM 691 CB PRO A 49 13.042 -1.365 -1.105 1.00 0.00 C ATOM 692 CG PRO A 49 11.745 -0.674 -1.399 1.00 0.00 C ATOM 693 CD PRO A 49 11.992 0.309 -2.517 1.00 0.00 C ATOM 0 HA PRO A 49 14.919 -1.215 -2.224 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.877 -2.401 -0.809 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.569 -0.879 -0.284 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.983 -1.398 -1.688 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.376 -0.159 -0.512 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.201 0.265 -3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.023 1.333 -2.146 1.00 0.00 H new ATOM 701 N SER A 50 14.596 -3.411 -3.304 1.00 0.00 N ATOM 702 CA SER A 50 14.435 -4.647 -4.122 1.00 0.00 C ATOM 703 C SER A 50 15.297 -5.778 -3.559 1.00 0.00 C ATOM 704 O SER A 50 16.509 -5.750 -3.634 1.00 0.00 O ATOM 705 CB SER A 50 14.909 -4.266 -5.521 1.00 0.00 C ATOM 706 OG SER A 50 14.195 -3.119 -5.963 1.00 0.00 O ATOM 0 H SER A 50 15.487 -3.325 -2.815 1.00 0.00 H new ATOM 0 HA SER A 50 13.405 -5.003 -4.122 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.979 -4.061 -5.511 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.750 -5.096 -6.210 1.00 0.00 H new ATOM 0 HG SER A 50 13.347 -3.053 -5.475 1.00 0.00 H new ATOM 712 N LYS A 51 14.675 -6.776 -2.999 1.00 0.00 N ATOM 713 CA LYS A 51 15.445 -7.919 -2.431 1.00 0.00 C ATOM 714 C LYS A 51 14.492 -9.050 -2.042 1.00 0.00 C ATOM 715 O LYS A 51 14.507 -9.529 -0.926 1.00 0.00 O ATOM 716 CB LYS A 51 16.145 -7.354 -1.195 1.00 0.00 C ATOM 717 CG LYS A 51 17.659 -7.371 -1.414 1.00 0.00 C ATOM 718 CD LYS A 51 18.372 -7.376 -0.060 1.00 0.00 C ATOM 719 CE LYS A 51 19.830 -7.799 -0.253 1.00 0.00 C ATOM 720 NZ LYS A 51 20.432 -7.738 1.108 1.00 0.00 N ATOM 0 H LYS A 51 13.662 -6.851 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 51 16.158 -8.334 -3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 51 15.806 -6.336 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.887 -7.945 -0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 51 17.944 -8.252 -1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.963 -6.499 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 51 18.326 -6.385 0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 51 17.871 -8.061 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 51 19.898 -8.804 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 51 20.346 -7.132 -0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.433 -8.015 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.359 -6.768 1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.924 -8.388 1.742 1.00 0.00 H new ATOM 734 N LYS A 52 13.663 -9.479 -2.954 1.00 0.00 N ATOM 735 CA LYS A 52 12.705 -10.576 -2.640 1.00 0.00 C ATOM 736 C LYS A 52 12.031 -11.060 -3.925 1.00 0.00 C ATOM 737 O LYS A 52 11.117 -10.434 -4.423 1.00 0.00 O ATOM 738 CB LYS A 52 11.674 -9.952 -1.699 1.00 0.00 C ATOM 739 CG LYS A 52 12.114 -10.153 -0.248 1.00 0.00 C ATOM 740 CD LYS A 52 10.880 -10.308 0.643 1.00 0.00 C ATOM 741 CE LYS A 52 10.143 -8.970 0.729 1.00 0.00 C ATOM 742 NZ LYS A 52 11.193 -7.976 1.084 1.00 0.00 N ATOM 0 H LYS A 52 13.608 -9.116 -3.906 1.00 0.00 H new ATOM 0 HA LYS A 52 13.196 -11.437 -2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.568 -8.889 -1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.697 -10.408 -1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.747 -11.037 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.710 -9.303 0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.219 -11.074 0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.176 -10.637 1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.667 -8.720 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.356 -9.000 1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.757 -7.172 1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.899 -8.423 1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.658 -7.637 0.217 1.00 0.00 H new ATOM 756 N PRO A 53 12.515 -12.164 -4.419 1.00 0.00 N ATOM 757 CA PRO A 53 11.969 -12.757 -5.669 1.00 0.00 C ATOM 758 C PRO A 53 10.519 -13.249 -5.506 1.00 0.00 C ATOM 759 O PRO A 53 9.940 -13.785 -6.431 1.00 0.00 O ATOM 760 CB PRO A 53 12.921 -13.916 -5.955 1.00 0.00 C ATOM 761 CG PRO A 53 13.512 -14.258 -4.628 1.00 0.00 C ATOM 762 CD PRO A 53 13.618 -12.961 -3.873 1.00 0.00 C ATOM 0 HA PRO A 53 11.917 -12.031 -6.480 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.391 -14.767 -6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.692 -13.628 -6.669 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.884 -14.970 -4.093 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.491 -14.722 -4.745 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.513 -13.111 -2.798 1.00 0.00 H new ATOM 0 HD3 PRO A 53 14.582 -12.479 -4.035 1.00 0.00 H new ATOM 770 N TYR A 54 9.916 -13.069 -4.359 1.00 0.00 N ATOM 771 CA TYR A 54 8.500 -13.529 -4.186 1.00 0.00 C ATOM 772 C TYR A 54 7.610 -12.350 -3.784 1.00 0.00 C ATOM 773 O TYR A 54 6.418 -12.496 -3.599 1.00 0.00 O ATOM 774 CB TYR A 54 8.506 -14.601 -3.079 1.00 0.00 C ATOM 775 CG TYR A 54 9.724 -14.459 -2.198 1.00 0.00 C ATOM 776 CD1 TYR A 54 10.980 -14.823 -2.689 1.00 0.00 C ATOM 777 CD2 TYR A 54 9.598 -13.961 -0.896 1.00 0.00 C ATOM 778 CE1 TYR A 54 12.111 -14.692 -1.883 1.00 0.00 C ATOM 779 CE2 TYR A 54 10.732 -13.830 -0.085 1.00 0.00 C ATOM 780 CZ TYR A 54 11.990 -14.196 -0.579 1.00 0.00 C ATOM 781 OH TYR A 54 13.109 -14.067 0.218 1.00 0.00 O ATOM 0 H TYR A 54 10.335 -12.628 -3.540 1.00 0.00 H new ATOM 0 HA TYR A 54 8.105 -13.939 -5.116 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.603 -14.511 -2.475 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.491 -15.594 -3.529 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.076 -15.206 -3.694 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.627 -13.678 -0.517 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.081 -14.973 -2.265 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.636 -13.447 0.920 1.00 0.00 H new ATOM 0 HH TYR A 54 12.849 -13.707 1.092 1.00 0.00 H new ATOM 791 N GLU A 55 8.176 -11.181 -3.655 1.00 0.00 N ATOM 792 CA GLU A 55 7.355 -9.995 -3.274 1.00 0.00 C ATOM 793 C GLU A 55 7.191 -9.067 -4.480 1.00 0.00 C ATOM 794 O GLU A 55 7.515 -9.423 -5.595 1.00 0.00 O ATOM 795 CB GLU A 55 8.142 -9.298 -2.163 1.00 0.00 C ATOM 796 CG GLU A 55 7.730 -9.875 -0.807 1.00 0.00 C ATOM 797 CD GLU A 55 7.394 -8.734 0.154 1.00 0.00 C ATOM 798 OE1 GLU A 55 7.763 -7.609 -0.140 1.00 0.00 O ATOM 799 OE2 GLU A 55 6.772 -9.004 1.169 1.00 0.00 O ATOM 0 H GLU A 55 9.169 -10.995 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 55 6.355 -10.274 -2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.212 -9.436 -2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.952 -8.225 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.867 -10.530 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.537 -10.483 -0.398 1.00 0.00 H new ATOM 806 N GLU A 56 6.690 -7.881 -4.270 1.00 0.00 N ATOM 807 CA GLU A 56 6.508 -6.942 -5.413 1.00 0.00 C ATOM 808 C GLU A 56 6.494 -5.492 -4.922 1.00 0.00 C ATOM 809 O GLU A 56 5.465 -4.963 -4.550 1.00 0.00 O ATOM 810 CB GLU A 56 5.154 -7.315 -6.018 1.00 0.00 C ATOM 811 CG GLU A 56 5.360 -8.318 -7.155 1.00 0.00 C ATOM 812 CD GLU A 56 4.016 -8.616 -7.822 1.00 0.00 C ATOM 813 OE1 GLU A 56 3.223 -9.323 -7.221 1.00 0.00 O ATOM 814 OE2 GLU A 56 3.802 -8.132 -8.921 1.00 0.00 O ATOM 0 H GLU A 56 6.400 -7.522 -3.360 1.00 0.00 H new ATOM 0 HA GLU A 56 7.318 -7.019 -6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.508 -7.745 -5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.653 -6.422 -6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.060 -7.915 -7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.798 -9.238 -6.768 1.00 0.00 H new ATOM 821 N VAL A 57 7.626 -4.842 -4.926 1.00 0.00 N ATOM 822 CA VAL A 57 7.673 -3.426 -4.469 1.00 0.00 C ATOM 823 C VAL A 57 7.948 -2.505 -5.663 1.00 0.00 C ATOM 824 O VAL A 57 8.538 -2.909 -6.645 1.00 0.00 O ATOM 825 CB VAL A 57 8.821 -3.370 -3.463 1.00 0.00 C ATOM 826 CG1 VAL A 57 8.394 -4.044 -2.159 1.00 0.00 C ATOM 827 CG2 VAL A 57 10.037 -4.098 -4.031 1.00 0.00 C ATOM 0 H VAL A 57 8.520 -5.231 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 57 6.734 -3.099 -4.023 1.00 0.00 H new ATOM 0 HB VAL A 57 9.077 -2.328 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.214 -4.003 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.527 -3.526 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.135 -5.085 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.855 -4.057 -3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.779 -5.139 -4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.347 -3.619 -4.960 1.00 0.00 H new ATOM 837 N THR A 58 7.523 -1.273 -5.590 1.00 0.00 N ATOM 838 CA THR A 58 7.758 -0.334 -6.724 1.00 0.00 C ATOM 839 C THR A 58 8.085 1.061 -6.193 1.00 0.00 C ATOM 840 O THR A 58 8.379 1.238 -5.027 1.00 0.00 O ATOM 841 CB THR A 58 6.440 -0.316 -7.501 1.00 0.00 C ATOM 842 OG1 THR A 58 5.727 -1.518 -7.249 1.00 0.00 O ATOM 843 CG2 THR A 58 6.728 -0.196 -8.998 1.00 0.00 C ATOM 0 H THR A 58 7.023 -0.876 -4.794 1.00 0.00 H new ATOM 0 HA THR A 58 8.596 -0.641 -7.349 1.00 0.00 H new ATOM 0 HB THR A 58 5.841 0.536 -7.180 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.965 -1.581 -7.862 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.788 -0.183 -9.550 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.274 0.727 -9.191 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.328 -1.046 -9.322 1.00 0.00 H new ATOM 851 N CYS A 59 8.024 2.056 -7.034 1.00 0.00 N ATOM 852 CA CYS A 59 8.320 3.438 -6.565 1.00 0.00 C ATOM 853 C CYS A 59 7.347 4.435 -7.162 1.00 0.00 C ATOM 854 O CYS A 59 6.519 4.114 -7.991 1.00 0.00 O ATOM 855 CB CYS A 59 9.705 3.776 -7.086 1.00 0.00 C ATOM 856 SG CYS A 59 10.948 3.380 -5.832 1.00 0.00 S ATOM 0 H CYS A 59 7.783 1.972 -8.022 1.00 0.00 H new ATOM 0 HA CYS A 59 8.246 3.487 -5.479 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.906 3.216 -7.999 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.758 4.834 -7.342 1.00 0.00 H new ATOM 861 N CYS A 60 7.486 5.658 -6.765 1.00 0.00 N ATOM 862 CA CYS A 60 6.622 6.728 -7.319 1.00 0.00 C ATOM 863 C CYS A 60 7.136 8.091 -6.838 1.00 0.00 C ATOM 864 O CYS A 60 7.111 8.395 -5.663 1.00 0.00 O ATOM 865 CB CYS A 60 5.196 6.384 -6.831 1.00 0.00 C ATOM 866 SG CYS A 60 4.375 7.791 -6.018 1.00 0.00 S ATOM 0 H CYS A 60 8.168 5.969 -6.073 1.00 0.00 H new ATOM 0 HA CYS A 60 6.627 6.788 -8.407 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.594 6.058 -7.680 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.246 5.546 -6.135 1.00 0.00 H new ATOM 871 N SER A 61 7.623 8.904 -7.738 1.00 0.00 N ATOM 872 CA SER A 61 8.163 10.233 -7.326 1.00 0.00 C ATOM 873 C SER A 61 7.247 11.383 -7.772 1.00 0.00 C ATOM 874 O SER A 61 7.425 12.511 -7.359 1.00 0.00 O ATOM 875 CB SER A 61 9.515 10.335 -8.029 1.00 0.00 C ATOM 876 OG SER A 61 9.350 11.010 -9.270 1.00 0.00 O ATOM 0 H SER A 61 7.670 8.706 -8.738 1.00 0.00 H new ATOM 0 HA SER A 61 8.240 10.312 -6.242 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.225 10.873 -7.401 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.927 9.340 -8.195 1.00 0.00 H new ATOM 0 HG SER A 61 10.216 11.079 -9.723 1.00 0.00 H new ATOM 882 N THR A 62 6.273 11.125 -8.607 1.00 0.00 N ATOM 883 CA THR A 62 5.379 12.237 -9.049 1.00 0.00 C ATOM 884 C THR A 62 4.384 12.587 -7.940 1.00 0.00 C ATOM 885 O THR A 62 4.401 12.008 -6.873 1.00 0.00 O ATOM 886 CB THR A 62 4.644 11.710 -10.285 1.00 0.00 C ATOM 887 OG1 THR A 62 5.343 10.594 -10.818 1.00 0.00 O ATOM 888 CG2 THR A 62 4.566 12.813 -11.341 1.00 0.00 C ATOM 0 H THR A 62 6.060 10.207 -8.997 1.00 0.00 H new ATOM 0 HA THR A 62 5.940 13.144 -9.274 1.00 0.00 H new ATOM 0 HB THR A 62 3.637 11.404 -10.002 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.869 10.258 -11.608 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.043 12.438 -12.221 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.026 13.668 -10.935 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.574 13.120 -11.621 1.00 0.00 H new ATOM 896 N ASP A 63 3.516 13.530 -8.182 1.00 0.00 N ATOM 897 CA ASP A 63 2.522 13.909 -7.139 1.00 0.00 C ATOM 898 C ASP A 63 1.492 12.789 -6.975 1.00 0.00 C ATOM 899 O ASP A 63 0.866 12.367 -7.927 1.00 0.00 O ATOM 900 CB ASP A 63 1.857 15.179 -7.669 1.00 0.00 C ATOM 901 CG ASP A 63 2.871 16.325 -7.669 1.00 0.00 C ATOM 902 OD1 ASP A 63 3.596 16.449 -8.643 1.00 0.00 O ATOM 903 OD2 ASP A 63 2.905 17.060 -6.695 1.00 0.00 O ATOM 0 H ASP A 63 3.452 14.054 -9.055 1.00 0.00 H new ATOM 0 HA ASP A 63 2.980 14.070 -6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.482 15.011 -8.679 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.999 15.439 -7.049 1.00 0.00 H new ATOM 908 N LYS A 64 1.315 12.295 -5.780 1.00 0.00 N ATOM 909 CA LYS A 64 0.330 11.197 -5.573 1.00 0.00 C ATOM 910 C LYS A 64 0.483 10.150 -6.681 1.00 0.00 C ATOM 911 O LYS A 64 -0.477 9.747 -7.307 1.00 0.00 O ATOM 912 CB LYS A 64 -1.040 11.872 -5.653 1.00 0.00 C ATOM 913 CG LYS A 64 -1.102 13.018 -4.642 1.00 0.00 C ATOM 914 CD LYS A 64 -1.105 14.356 -5.385 1.00 0.00 C ATOM 915 CE LYS A 64 -0.749 15.481 -4.412 1.00 0.00 C ATOM 916 NZ LYS A 64 -1.186 16.731 -5.094 1.00 0.00 N ATOM 0 H LYS A 64 1.808 12.603 -4.942 1.00 0.00 H new ATOM 0 HA LYS A 64 0.470 10.682 -4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.212 12.251 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.827 11.147 -5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.999 12.928 -4.029 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.248 12.967 -3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.388 14.330 -6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.086 14.538 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.259 15.353 -3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.321 15.498 -4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.975 17.549 -4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.679 16.829 -5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.209 16.689 -5.274 1.00 0.00 H new ATOM 930 N CYS A 65 1.687 9.705 -6.923 1.00 0.00 N ATOM 931 CA CYS A 65 1.900 8.678 -7.991 1.00 0.00 C ATOM 932 C CYS A 65 1.804 7.265 -7.406 1.00 0.00 C ATOM 933 O CYS A 65 2.337 6.320 -7.952 1.00 0.00 O ATOM 934 CB CYS A 65 3.289 8.929 -8.601 1.00 0.00 C ATOM 935 SG CYS A 65 4.509 9.315 -7.325 1.00 0.00 S ATOM 0 H CYS A 65 2.529 10.004 -6.432 1.00 0.00 H new ATOM 0 HA CYS A 65 1.131 8.758 -8.760 1.00 0.00 H new ATOM 0 HB2 CYS A 65 3.608 8.048 -9.157 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.232 9.752 -9.313 1.00 0.00 H new ATOM 940 N ASN A 66 1.115 7.110 -6.303 1.00 0.00 N ATOM 941 CA ASN A 66 0.974 5.756 -5.695 1.00 0.00 C ATOM 942 C ASN A 66 -0.447 5.167 -5.876 1.00 0.00 C ATOM 943 O ASN A 66 -0.836 4.312 -5.106 1.00 0.00 O ATOM 944 CB ASN A 66 1.252 5.977 -4.205 1.00 0.00 C ATOM 945 CG ASN A 66 2.537 5.259 -3.799 1.00 0.00 C ATOM 946 OD1 ASN A 66 2.664 4.797 -2.683 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.505 5.155 -4.660 1.00 0.00 N ATOM 0 H ASN A 66 0.646 7.863 -5.800 1.00 0.00 H new ATOM 0 HA ASN A 66 1.652 5.046 -6.169 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.341 7.043 -3.998 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.416 5.606 -3.612 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.372 4.685 -4.399 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.398 5.543 -5.597 1.00 0.00 H new ATOM 954 N PRO A 67 -1.192 5.622 -6.865 1.00 0.00 N ATOM 955 CA PRO A 67 -2.557 5.085 -7.063 1.00 0.00 C ATOM 956 C PRO A 67 -2.493 3.750 -7.803 1.00 0.00 C ATOM 957 O PRO A 67 -2.658 3.697 -9.006 1.00 0.00 O ATOM 958 CB PRO A 67 -3.239 6.135 -7.930 1.00 0.00 C ATOM 959 CG PRO A 67 -2.131 6.817 -8.669 1.00 0.00 C ATOM 960 CD PRO A 67 -0.865 6.644 -7.866 1.00 0.00 C ATOM 0 HA PRO A 67 -3.083 4.903 -6.126 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.948 5.676 -8.620 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.800 6.844 -7.321 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.014 6.387 -9.664 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.356 7.875 -8.804 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.036 6.327 -8.498 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.566 7.579 -7.393 1.00 0.00 H new ATOM 968 N HIS A 68 -2.250 2.673 -7.106 1.00 0.00 N ATOM 969 CA HIS A 68 -2.176 1.356 -7.797 1.00 0.00 C ATOM 970 C HIS A 68 -3.309 1.244 -8.819 1.00 0.00 C ATOM 971 O HIS A 68 -4.348 1.855 -8.665 1.00 0.00 O ATOM 972 CB HIS A 68 -2.297 0.301 -6.696 1.00 0.00 C ATOM 973 CG HIS A 68 -3.563 0.492 -5.905 1.00 0.00 C ATOM 974 ND1 HIS A 68 -4.527 -0.503 -5.809 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.027 1.537 -5.140 1.00 0.00 C ATOM 976 CE1 HIS A 68 -5.509 -0.039 -5.020 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.256 1.198 -4.585 1.00 0.00 N ATOM 0 H HIS A 68 -2.101 2.648 -6.097 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.245 1.226 -8.349 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.287 -0.695 -7.139 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.435 0.363 -6.031 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.495 -1.419 -6.256 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.515 2.477 -4.993 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.397 -0.599 -4.767 1.00 0.00 H new ATOM 985 N PRO A 69 -3.050 0.493 -9.851 1.00 0.00 N ATOM 986 CA PRO A 69 -4.034 0.328 -10.940 1.00 0.00 C ATOM 987 C PRO A 69 -5.066 -0.748 -10.599 1.00 0.00 C ATOM 988 O PRO A 69 -4.905 -1.902 -10.942 1.00 0.00 O ATOM 989 CB PRO A 69 -3.174 -0.103 -12.123 1.00 0.00 C ATOM 990 CG PRO A 69 -1.949 -0.735 -11.528 1.00 0.00 C ATOM 991 CD PRO A 69 -1.828 -0.273 -10.094 1.00 0.00 C ATOM 0 HA PRO A 69 -4.609 1.234 -11.131 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.709 -0.809 -12.759 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.910 0.751 -12.747 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -2.022 -1.822 -11.572 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.062 -0.452 -12.095 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.747 -1.118 -9.410 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.939 0.341 -9.949 1.00 0.00 H new ATOM 999 N LYS A 70 -6.130 -0.382 -9.939 1.00 0.00 N ATOM 1000 CA LYS A 70 -7.164 -1.397 -9.600 1.00 0.00 C ATOM 1001 C LYS A 70 -8.538 -0.748 -9.461 1.00 0.00 C ATOM 1002 O LYS A 70 -9.233 -0.953 -8.485 1.00 0.00 O ATOM 1003 CB LYS A 70 -6.728 -1.984 -8.260 1.00 0.00 C ATOM 1004 CG LYS A 70 -6.174 -3.402 -8.439 1.00 0.00 C ATOM 1005 CD LYS A 70 -6.985 -4.200 -9.477 1.00 0.00 C ATOM 1006 CE LYS A 70 -8.493 -3.931 -9.313 1.00 0.00 C ATOM 1007 NZ LYS A 70 -8.982 -3.473 -10.651 1.00 0.00 N ATOM 0 H LYS A 70 -6.327 0.568 -9.623 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.248 -2.156 -10.378 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.968 -1.346 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.575 -2.004 -7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.132 -3.349 -8.753 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.192 -3.924 -7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.669 -3.924 -10.483 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.786 -5.265 -9.361 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.017 -4.832 -8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.673 -3.172 -8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.502 -2.579 -10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.171 -3.328 -11.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.614 -4.194 -11.055 1.00 0.00 H new ATOM 1021 N GLN A 71 -8.944 0.023 -10.423 1.00 0.00 N ATOM 1022 CA GLN A 71 -10.281 0.667 -10.328 1.00 0.00 C ATOM 1023 C GLN A 71 -11.229 0.042 -11.350 1.00 0.00 C ATOM 1024 O GLN A 71 -11.685 0.692 -12.270 1.00 0.00 O ATOM 1025 CB GLN A 71 -10.040 2.144 -10.634 1.00 0.00 C ATOM 1026 CG GLN A 71 -8.782 2.617 -9.908 1.00 0.00 C ATOM 1027 CD GLN A 71 -9.115 3.843 -9.064 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -10.191 4.397 -9.170 1.00 0.00 O ATOM 1029 NE2 GLN A 71 -8.231 4.293 -8.222 1.00 0.00 N ATOM 0 H GLN A 71 -8.413 0.236 -11.268 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.739 0.536 -9.348 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.929 2.290 -11.708 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.899 2.736 -10.319 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.393 1.820 -9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.002 2.860 -10.630 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.328 3.827 -8.133 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.441 5.111 -7.651 1.00 0.00 H new ATOM 1038 N ARG A 72 -11.524 -1.220 -11.198 1.00 0.00 N ATOM 1039 CA ARG A 72 -12.439 -1.891 -12.164 1.00 0.00 C ATOM 1040 C ARG A 72 -12.950 -3.211 -11.580 1.00 0.00 C ATOM 1041 O ARG A 72 -12.172 -4.070 -11.214 1.00 0.00 O ATOM 1042 CB ARG A 72 -11.579 -2.148 -13.401 1.00 0.00 C ATOM 1043 CG ARG A 72 -12.477 -2.547 -14.574 1.00 0.00 C ATOM 1044 CD ARG A 72 -11.610 -2.871 -15.792 1.00 0.00 C ATOM 1045 NE ARG A 72 -12.308 -2.232 -16.941 1.00 0.00 N ATOM 1046 CZ ARG A 72 -12.022 -2.594 -18.161 1.00 0.00 C ATOM 1047 NH1 ARG A 72 -12.602 -3.641 -18.684 1.00 0.00 N ATOM 1048 NH2 ARG A 72 -11.157 -1.911 -18.860 1.00 0.00 N ATOM 0 H ARG A 72 -11.172 -1.815 -10.448 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.317 -1.287 -12.393 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.010 -1.253 -13.653 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.857 -2.939 -13.197 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.082 -3.412 -14.305 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -13.167 -1.737 -14.810 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.601 -2.477 -15.674 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.517 -3.948 -15.936 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.010 -1.511 -16.774 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.278 -4.175 -18.138 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.379 -3.924 -19.638 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.704 -1.093 -18.452 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.934 -2.195 -19.814 1.00 0.00 H new ATOM 1062 N PRO A 73 -14.250 -3.329 -11.513 1.00 0.00 N ATOM 1063 CA PRO A 73 -14.875 -4.559 -10.969 1.00 0.00 C ATOM 1064 C PRO A 73 -14.728 -5.718 -11.960 1.00 0.00 C ATOM 1065 O PRO A 73 -14.559 -5.515 -13.146 1.00 0.00 O ATOM 1066 CB PRO A 73 -16.341 -4.170 -10.800 1.00 0.00 C ATOM 1067 CG PRO A 73 -16.563 -3.060 -11.778 1.00 0.00 C ATOM 1068 CD PRO A 73 -15.248 -2.340 -11.933 1.00 0.00 C ATOM 0 HA PRO A 73 -14.418 -4.897 -10.039 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -16.999 -5.014 -11.005 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.548 -3.845 -9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -16.903 -3.453 -12.736 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.336 -2.379 -11.420 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -15.086 -2.022 -12.963 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.208 -1.444 -11.313 1.00 0.00 H new ATOM 1076 N GLY A 74 -14.790 -6.930 -11.482 1.00 0.00 N ATOM 1077 CA GLY A 74 -14.654 -8.099 -12.396 1.00 0.00 C ATOM 1078 C GLY A 74 -15.221 -9.348 -11.719 1.00 0.00 C ATOM 1079 O GLY A 74 -15.954 -9.194 -10.756 1.00 0.00 O ATOM 1080 OXT GLY A 74 -14.912 -10.436 -12.175 1.00 0.00 O ATOM 0 H GLY A 74 -14.929 -7.162 -10.498 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.183 -7.907 -13.329 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.606 -8.255 -12.650 1.00 0.00 H new TER 1084 GLY A 74 ATOM 1085 N MET B 1 -13.766 -4.603 0.665 1.00 0.00 N ATOM 1086 CA MET B 1 -13.502 -3.409 1.520 1.00 0.00 C ATOM 1087 C MET B 1 -11.996 -3.163 1.635 1.00 0.00 C ATOM 1088 O MET B 1 -11.376 -3.508 2.622 1.00 0.00 O ATOM 1089 CB MET B 1 -14.091 -3.763 2.887 1.00 0.00 C ATOM 1090 CG MET B 1 -15.423 -3.036 3.076 1.00 0.00 C ATOM 1091 SD MET B 1 -15.230 -1.740 4.325 1.00 0.00 S ATOM 1092 CE MET B 1 -15.853 -2.689 5.734 1.00 0.00 C ATOM 0 H1 MET B 1 -14.740 -4.561 0.302 1.00 0.00 H new ATOM 0 H2 MET B 1 -13.099 -4.613 -0.133 1.00 0.00 H new ATOM 0 H3 MET B 1 -13.644 -5.468 1.229 1.00 0.00 H new ATOM 0 HA MET B 1 -13.942 -2.501 1.108 1.00 0.00 H new ATOM 0 HB2 MET B 1 -14.239 -4.840 2.962 1.00 0.00 H new ATOM 0 HB3 MET B 1 -13.396 -3.481 3.678 1.00 0.00 H new ATOM 0 HG2 MET B 1 -15.749 -2.600 2.132 1.00 0.00 H new ATOM 0 HG3 MET B 1 -16.194 -3.742 3.385 1.00 0.00 H new ATOM 0 HE1 MET B 1 -15.823 -2.070 6.631 1.00 0.00 H new ATOM 0 HE2 MET B 1 -16.880 -2.997 5.540 1.00 0.00 H new ATOM 0 HE3 MET B 1 -15.231 -3.572 5.881 1.00 0.00 H new ATOM 1104 N ARG B 2 -11.400 -2.569 0.637 1.00 0.00 N ATOM 1105 CA ARG B 2 -9.933 -2.305 0.703 1.00 0.00 C ATOM 1106 C ARG B 2 -9.405 -1.811 -0.639 1.00 0.00 C ATOM 1107 O ARG B 2 -10.063 -1.902 -1.656 1.00 0.00 O ATOM 1108 CB ARG B 2 -9.293 -3.666 1.011 1.00 0.00 C ATOM 1109 CG ARG B 2 -8.429 -3.552 2.268 1.00 0.00 C ATOM 1110 CD ARG B 2 -8.696 -4.750 3.184 1.00 0.00 C ATOM 1111 NE ARG B 2 -9.620 -4.234 4.232 1.00 0.00 N ATOM 1112 CZ ARG B 2 -9.993 -5.011 5.212 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -9.109 -5.730 5.847 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -11.250 -5.068 5.559 1.00 0.00 N ATOM 0 H ARG B 2 -11.862 -2.256 -0.217 1.00 0.00 H new ATOM 0 HA ARG B 2 -9.706 -1.543 1.449 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -10.067 -4.419 1.156 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -8.685 -3.993 0.168 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -7.374 -3.518 1.995 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.653 -2.623 2.793 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -9.146 -5.576 2.633 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -7.772 -5.125 3.623 1.00 0.00 H new ATOM 0 HE ARG B 2 -9.961 -3.274 4.184 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -8.126 -5.685 5.578 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -9.401 -6.337 6.613 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -11.942 -4.505 5.064 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -11.541 -5.676 6.325 1.00 0.00 H new ATOM 1128 N TYR B 3 -8.183 -1.364 -0.654 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.556 -0.946 -1.937 1.00 0.00 C ATOM 1130 C TYR B 3 -6.741 -2.144 -2.367 1.00 0.00 C ATOM 1131 O TYR B 3 -5.575 -2.056 -2.700 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.632 0.246 -1.647 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.910 0.819 -0.280 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -7.948 1.738 -0.103 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -6.126 0.424 0.809 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -8.204 2.263 1.167 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -6.377 0.949 2.079 1.00 0.00 C ATOM 1138 CZ TYR B 3 -7.418 1.871 2.259 1.00 0.00 C ATOM 1139 OH TYR B 3 -7.675 2.386 3.511 1.00 0.00 O ATOM 0 H TYR B 3 -7.589 -1.270 0.170 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.274 -0.649 -2.702 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.591 -0.072 -1.708 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.775 1.016 -2.405 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -8.551 2.042 -0.946 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -5.326 -0.288 0.668 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -9.008 2.971 1.307 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -5.771 0.646 2.920 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.258 3.169 3.429 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.365 -3.280 -2.300 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.681 -4.543 -2.630 1.00 0.00 C ATOM 1151 C TYR B 4 -6.323 -4.586 -4.101 1.00 0.00 C ATOM 1152 O TYR B 4 -6.326 -3.590 -4.797 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.727 -5.618 -2.341 1.00 0.00 C ATOM 1154 CG TYR B 4 -7.409 -6.337 -1.057 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.753 -5.670 -0.018 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -7.780 -7.676 -0.908 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -6.468 -6.347 1.174 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -7.498 -8.352 0.281 1.00 0.00 C ATOM 1159 CZ TYR B 4 -6.840 -7.689 1.323 1.00 0.00 C ATOM 1160 OH TYR B 4 -6.560 -8.357 2.498 1.00 0.00 O ATOM 0 H TYR B 4 -8.341 -3.384 -2.024 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.757 -4.669 -2.065 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.715 -5.163 -2.274 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -7.760 -6.331 -3.165 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -6.467 -4.635 -0.135 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -8.285 -8.189 -1.713 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -5.961 -5.834 1.978 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -7.788 -9.386 0.396 1.00 0.00 H new ATOM 0 HH TYR B 4 -6.886 -9.279 2.436 1.00 0.00 H new ATOM 1170 N GLU B 5 -6.023 -5.748 -4.571 1.00 0.00 N ATOM 1171 CA GLU B 5 -5.667 -5.900 -6.008 1.00 0.00 C ATOM 1172 C GLU B 5 -6.911 -6.297 -6.811 1.00 0.00 C ATOM 1173 O GLU B 5 -6.835 -7.012 -7.790 1.00 0.00 O ATOM 1174 CB GLU B 5 -4.607 -7.000 -6.042 1.00 0.00 C ATOM 1175 CG GLU B 5 -4.324 -7.402 -7.491 1.00 0.00 C ATOM 1176 CD GLU B 5 -4.929 -8.779 -7.769 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -5.952 -9.085 -7.179 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -4.358 -9.505 -8.567 1.00 0.00 O ATOM 0 H GLU B 5 -6.006 -6.610 -4.026 1.00 0.00 H new ATOM 0 HA GLU B 5 -5.291 -4.977 -6.450 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -3.691 -6.650 -5.567 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -4.950 -7.866 -5.475 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -4.746 -6.664 -8.173 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -3.249 -7.423 -7.670 1.00 0.00 H new ATOM 1185 N SER B 6 -8.062 -5.832 -6.398 1.00 0.00 N ATOM 1186 CA SER B 6 -9.317 -6.175 -7.128 1.00 0.00 C ATOM 1187 C SER B 6 -10.289 -4.986 -7.112 1.00 0.00 C ATOM 1188 O SER B 6 -11.435 -5.110 -7.497 1.00 0.00 O ATOM 1189 CB SER B 6 -9.907 -7.357 -6.361 1.00 0.00 C ATOM 1190 OG SER B 6 -9.204 -8.542 -6.711 1.00 0.00 O ATOM 0 H SER B 6 -8.186 -5.229 -5.585 1.00 0.00 H new ATOM 0 HA SER B 6 -9.131 -6.416 -8.175 1.00 0.00 H new ATOM 0 HB2 SER B 6 -9.835 -7.181 -5.288 1.00 0.00 H new ATOM 0 HB3 SER B 6 -10.966 -7.466 -6.596 1.00 0.00 H new ATOM 0 HG SER B 6 -9.751 -9.324 -6.489 1.00 0.00 H new ATOM 1196 N SER B 7 -9.831 -3.837 -6.675 1.00 0.00 N ATOM 1197 CA SER B 7 -10.704 -2.618 -6.625 1.00 0.00 C ATOM 1198 C SER B 7 -10.100 -1.595 -5.658 1.00 0.00 C ATOM 1199 O SER B 7 -9.157 -1.885 -4.949 1.00 0.00 O ATOM 1200 CB SER B 7 -12.063 -3.089 -6.104 1.00 0.00 C ATOM 1201 OG SER B 7 -12.762 -1.981 -5.552 1.00 0.00 O ATOM 0 H SER B 7 -8.877 -3.689 -6.346 1.00 0.00 H new ATOM 0 HA SER B 7 -10.796 -2.146 -7.603 1.00 0.00 H new ATOM 0 HB2 SER B 7 -12.642 -3.533 -6.914 1.00 0.00 H new ATOM 0 HB3 SER B 7 -11.928 -3.862 -5.348 1.00 0.00 H new ATOM 0 HG SER B 7 -12.475 -1.842 -4.625 1.00 0.00 H new ATOM 1207 N LEU B 8 -10.634 -0.405 -5.616 1.00 0.00 N ATOM 1208 CA LEU B 8 -10.080 0.620 -4.683 1.00 0.00 C ATOM 1209 C LEU B 8 -11.197 1.235 -3.840 1.00 0.00 C ATOM 1210 O LEU B 8 -10.986 1.640 -2.715 1.00 0.00 O ATOM 1211 CB LEU B 8 -9.430 1.674 -5.579 1.00 0.00 C ATOM 1212 CG LEU B 8 -7.943 1.353 -5.716 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -7.745 0.357 -6.854 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -7.161 2.628 -6.028 1.00 0.00 C ATOM 0 H LEU B 8 -11.425 -0.098 -6.183 1.00 0.00 H new ATOM 0 HA LEU B 8 -9.363 0.190 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -9.906 1.682 -6.559 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.564 2.668 -5.151 1.00 0.00 H new ATOM 0 HG LEU B 8 -7.582 0.927 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -6.685 0.126 -6.955 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -8.297 -0.558 -6.637 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -8.112 0.790 -7.785 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.102 2.391 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -7.523 3.057 -6.962 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -7.300 3.347 -5.220 1.00 0.00 H new ATOM 1226 N LYS B 9 -12.386 1.299 -4.367 1.00 0.00 N ATOM 1227 CA LYS B 9 -13.513 1.878 -3.583 1.00 0.00 C ATOM 1228 C LYS B 9 -14.451 0.760 -3.129 1.00 0.00 C ATOM 1229 O LYS B 9 -15.629 0.762 -3.428 1.00 0.00 O ATOM 1230 CB LYS B 9 -14.228 2.825 -4.545 1.00 0.00 C ATOM 1231 CG LYS B 9 -14.068 4.263 -4.049 1.00 0.00 C ATOM 1232 CD LYS B 9 -12.582 4.569 -3.856 1.00 0.00 C ATOM 1233 CE LYS B 9 -12.313 6.035 -4.199 1.00 0.00 C ATOM 1234 NZ LYS B 9 -11.847 6.018 -5.614 1.00 0.00 N ATOM 0 H LYS B 9 -12.627 0.977 -5.304 1.00 0.00 H new ATOM 0 HA LYS B 9 -13.174 2.399 -2.688 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -13.813 2.725 -5.548 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -15.285 2.566 -4.611 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -14.504 4.958 -4.767 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -14.604 4.397 -3.109 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -12.289 4.366 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -11.981 3.920 -4.492 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -13.214 6.639 -4.087 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -11.558 6.463 -3.539 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -11.642 6.989 -5.924 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -10.985 5.441 -5.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -12.589 5.612 -6.219 1.00 0.00 H new ATOM 1248 N SER B 10 -13.934 -0.201 -2.415 1.00 0.00 N ATOM 1249 CA SER B 10 -14.793 -1.327 -1.948 1.00 0.00 C ATOM 1250 C SER B 10 -15.126 -1.164 -0.464 1.00 0.00 C ATOM 1251 O SER B 10 -15.762 -2.009 0.133 1.00 0.00 O ATOM 1252 CB SER B 10 -13.952 -2.582 -2.170 1.00 0.00 C ATOM 1253 OG SER B 10 -13.093 -2.381 -3.283 1.00 0.00 O ATOM 0 H SER B 10 -12.955 -0.256 -2.134 1.00 0.00 H new ATOM 0 HA SER B 10 -15.742 -1.368 -2.482 1.00 0.00 H new ATOM 0 HB2 SER B 10 -13.365 -2.803 -1.278 1.00 0.00 H new ATOM 0 HB3 SER B 10 -14.599 -3.441 -2.346 1.00 0.00 H new ATOM 0 HG SER B 10 -13.541 -2.682 -4.101 1.00 0.00 H new ATOM 1259 N TYR B 11 -14.702 -0.085 0.136 1.00 0.00 N ATOM 1260 CA TYR B 11 -14.995 0.123 1.585 1.00 0.00 C ATOM 1261 C TYR B 11 -15.847 1.381 1.797 1.00 0.00 C ATOM 1262 O TYR B 11 -15.577 2.168 2.683 1.00 0.00 O ATOM 1263 CB TYR B 11 -13.623 0.288 2.245 1.00 0.00 C ATOM 1264 CG TYR B 11 -12.758 1.203 1.407 1.00 0.00 C ATOM 1265 CD1 TYR B 11 -12.980 2.585 1.421 1.00 0.00 C ATOM 1266 CD2 TYR B 11 -11.733 0.667 0.616 1.00 0.00 C ATOM 1267 CE1 TYR B 11 -12.177 3.431 0.647 1.00 0.00 C ATOM 1268 CE2 TYR B 11 -10.932 1.514 -0.158 1.00 0.00 C ATOM 1269 CZ TYR B 11 -11.154 2.895 -0.143 1.00 0.00 C ATOM 1270 OH TYR B 11 -10.363 3.729 -0.906 1.00 0.00 O ATOM 0 H TYR B 11 -14.167 0.660 -0.311 1.00 0.00 H new ATOM 0 HA TYR B 11 -15.560 -0.707 2.008 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -13.739 0.700 3.248 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -13.142 -0.684 2.353 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -13.771 2.999 2.029 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -11.561 -0.399 0.604 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -12.347 4.497 0.660 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -10.142 1.101 -0.767 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.329 3.396 -1.827 1.00 0.00 H new ATOM 1280 N PRO B 12 -16.858 1.528 0.979 1.00 0.00 N ATOM 1281 CA PRO B 12 -17.761 2.701 1.089 1.00 0.00 C ATOM 1282 C PRO B 12 -18.660 2.569 2.321 1.00 0.00 C ATOM 1283 O PRO B 12 -19.721 1.980 2.264 1.00 0.00 O ATOM 1284 CB PRO B 12 -18.588 2.636 -0.191 1.00 0.00 C ATOM 1285 CG PRO B 12 -18.560 1.197 -0.597 1.00 0.00 C ATOM 1286 CD PRO B 12 -17.252 0.629 -0.111 1.00 0.00 C ATOM 0 HA PRO B 12 -17.226 3.644 1.200 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -19.609 2.978 -0.019 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -18.165 3.273 -0.967 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -19.401 0.657 -0.162 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -18.645 1.100 -1.679 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -17.368 -0.397 0.240 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -16.505 0.612 -0.904 1.00 0.00 H new ATOM 1294 N ASP B 13 -18.245 3.111 3.433 1.00 0.00 N ATOM 1295 CA ASP B 13 -19.078 3.013 4.666 1.00 0.00 C ATOM 1296 C ASP B 13 -20.552 3.257 4.330 1.00 0.00 C ATOM 1297 O ASP B 13 -20.816 3.794 3.267 1.00 0.00 O ATOM 1298 CB ASP B 13 -18.551 4.112 5.589 1.00 0.00 C ATOM 1299 CG ASP B 13 -17.472 3.534 6.507 1.00 0.00 C ATOM 1300 OD1 ASP B 13 -16.985 2.455 6.210 1.00 0.00 O ATOM 1301 OD2 ASP B 13 -17.152 4.179 7.491 1.00 0.00 O ATOM 1302 OXT ASP B 13 -21.391 2.901 5.141 1.00 0.00 O ATOM 0 H ASP B 13 -17.366 3.617 3.542 1.00 0.00 H new ATOM 0 HA ASP B 13 -19.016 2.028 5.128 1.00 0.00 H new ATOM 0 HB2 ASP B 13 -18.141 4.931 4.999 1.00 0.00 H new ATOM 0 HB3 ASP B 13 -19.366 4.524 6.183 1.00 0.00 H new TER 1307 ASP B 13