USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 694 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 Single : A 63 GLN : amide:sc= 0.0729 X(o=0.073,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0928 X(o=-0.093,f=-0.22) USER MOD Single : A 67 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.014) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -170:sc= -0.22 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 80:sc= -0.0676 USER MOD Single : A 92 SER OG : rot 77:sc= 0.0353 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 153:sc= -0.0567 (180deg=-0.376) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN : amide:sc= -0.482 K(o=-0.48,f=-1.5) USER MOD Single : B 66 HIS : no HE2:sc= -0.796 K(o=-0.8,f=-6.6!) USER MOD Single : B 67 HIS : no HD1:sc= -0.0512 X(o=-0.051,f=-0.2) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 74 THR OG1 : rot 60:sc= -1.91! USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot 78:sc= 0.19 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 62 -31.729 -0.961 -9.338 1.00 18.74 N ATOM 2 CA VAL A 62 -32.568 -0.879 -10.660 1.00 18.11 C ATOM 3 C VAL A 62 -32.349 -2.130 -11.418 1.00 17.30 C ATOM 4 O VAL A 62 -33.206 -2.530 -12.182 1.00 17.26 O ATOM 5 CB VAL A 62 -32.174 0.361 -11.369 1.00 18.42 C ATOM 6 CG1 VAL A 62 -32.919 0.361 -12.705 1.00 18.58 C ATOM 7 CG2 VAL A 62 -32.545 1.619 -10.578 1.00 18.59 C ATOM 0 HA VAL A 62 -33.643 -0.810 -10.493 1.00 18.11 H new ATOM 0 HB VAL A 62 -31.092 0.378 -11.501 1.00 18.42 H new ATOM 0 HG11 VAL A 62 -32.660 1.259 -13.266 1.00 18.58 H new ATOM 0 HG12 VAL A 62 -32.635 -0.520 -13.280 1.00 18.58 H new ATOM 0 HG13 VAL A 62 -33.993 0.344 -12.522 1.00 18.58 H new ATOM 0 HG21 VAL A 62 -32.237 2.503 -11.136 1.00 18.59 H new ATOM 0 HG22 VAL A 62 -33.623 1.646 -10.422 1.00 18.59 H new ATOM 0 HG23 VAL A 62 -32.039 1.604 -9.613 1.00 18.59 H new ATOM 19 N GLN A 63 -31.209 -2.752 -11.295 1.00 16.78 N ATOM 20 CA GLN A 63 -30.935 -3.977 -12.096 1.00 16.11 C ATOM 21 C GLN A 63 -29.847 -4.801 -11.408 1.00 15.69 C ATOM 22 O GLN A 63 -28.674 -4.502 -11.507 1.00 15.68 O ATOM 23 CB GLN A 63 -30.462 -3.579 -13.495 1.00 16.10 C ATOM 24 CG GLN A 63 -29.569 -2.340 -13.400 1.00 15.49 C ATOM 25 CD GLN A 63 -28.327 -2.537 -14.273 1.00 15.09 C ATOM 26 OE1 GLN A 63 -28.341 -2.222 -15.447 1.00 15.39 O ATOM 27 NE2 GLN A 63 -27.247 -3.046 -13.747 1.00 14.56 N ATOM 0 H GLN A 63 -30.454 -2.464 -10.673 1.00 16.78 H new ATOM 0 HA GLN A 63 -31.847 -4.569 -12.176 1.00 16.11 H new ATOM 0 HB2 GLN A 63 -29.913 -4.402 -13.952 1.00 16.10 H new ATOM 0 HB3 GLN A 63 -31.320 -3.374 -14.135 1.00 16.10 H new ATOM 0 HG2 GLN A 63 -30.119 -1.457 -13.725 1.00 15.49 H new ATOM 0 HG3 GLN A 63 -29.275 -2.169 -12.364 1.00 15.49 H new ATOM 0 HE21 GLN A 63 -27.235 -3.310 -12.762 1.00 14.56 H new ATOM 0 HE22 GLN A 63 -26.414 -3.180 -14.321 1.00 14.56 H new ATOM 36 N LEU A 64 -30.226 -5.837 -10.710 1.00 15.49 N ATOM 37 CA LEU A 64 -29.212 -6.680 -10.015 1.00 15.26 C ATOM 38 C LEU A 64 -28.347 -5.796 -9.115 1.00 14.77 C ATOM 39 O LEU A 64 -28.627 -5.618 -7.946 1.00 14.94 O ATOM 40 CB LEU A 64 -28.321 -7.365 -11.051 1.00 15.58 C ATOM 41 CG LEU A 64 -28.947 -8.697 -11.464 1.00 15.97 C ATOM 42 CD1 LEU A 64 -30.123 -8.440 -12.409 1.00 16.71 C ATOM 43 CD2 LEU A 64 -27.898 -9.550 -12.182 1.00 16.05 C ATOM 0 H LEU A 64 -31.194 -6.136 -10.591 1.00 15.49 H new ATOM 0 HA LEU A 64 -29.719 -7.434 -9.413 1.00 15.26 H new ATOM 0 HB2 LEU A 64 -28.200 -6.723 -11.923 1.00 15.58 H new ATOM 0 HB3 LEU A 64 -27.326 -7.532 -10.637 1.00 15.58 H new ATOM 0 HG LEU A 64 -29.302 -9.221 -10.577 1.00 15.97 H new ATOM 0 HD11 LEU A 64 -30.568 -9.391 -12.703 1.00 16.71 H new ATOM 0 HD12 LEU A 64 -30.871 -7.830 -11.902 1.00 16.71 H new ATOM 0 HD13 LEU A 64 -29.769 -7.916 -13.297 1.00 16.71 H new ATOM 0 HD21 LEU A 64 -28.342 -10.501 -12.477 1.00 16.05 H new ATOM 0 HD22 LEU A 64 -27.545 -9.023 -13.069 1.00 16.05 H new ATOM 0 HD23 LEU A 64 -27.058 -9.735 -11.512 1.00 16.05 H new ATOM 55 N ALA A 65 -27.296 -5.239 -9.653 1.00 14.32 N ATOM 56 CA ALA A 65 -26.414 -4.365 -8.834 1.00 14.03 C ATOM 57 C ALA A 65 -25.597 -3.459 -9.761 1.00 13.34 C ATOM 58 O ALA A 65 -24.952 -3.921 -10.680 1.00 13.29 O ATOM 59 CB ALA A 65 -25.464 -5.232 -8.005 1.00 14.31 C ATOM 0 H ALA A 65 -27.011 -5.353 -10.626 1.00 14.32 H new ATOM 0 HA ALA A 65 -27.023 -3.754 -8.168 1.00 14.03 H new ATOM 0 HB1 ALA A 65 -24.818 -4.592 -7.405 1.00 14.31 H new ATOM 0 HB2 ALA A 65 -26.043 -5.881 -7.348 1.00 14.31 H new ATOM 0 HB3 ALA A 65 -24.853 -5.842 -8.671 1.00 14.31 H new ATOM 65 N HIS A 66 -25.616 -2.172 -9.531 1.00 12.98 N ATOM 66 CA HIS A 66 -24.836 -1.251 -10.404 1.00 12.48 C ATOM 67 C HIS A 66 -23.368 -1.681 -10.409 1.00 11.62 C ATOM 68 O HIS A 66 -22.893 -2.288 -11.348 1.00 11.76 O ATOM 69 CB HIS A 66 -24.946 0.178 -9.868 1.00 12.81 C ATOM 70 CG HIS A 66 -26.336 0.699 -10.104 1.00 13.36 C ATOM 71 ND1 HIS A 66 -26.968 0.589 -11.333 1.00 13.57 N ATOM 72 CD2 HIS A 66 -27.229 1.339 -9.281 1.00 13.93 C ATOM 73 CE1 HIS A 66 -28.186 1.150 -11.215 1.00 14.23 C ATOM 74 NE2 HIS A 66 -28.396 1.623 -9.984 1.00 14.47 N ATOM 0 H HIS A 66 -26.137 -1.722 -8.778 1.00 12.98 H new ATOM 0 HA HIS A 66 -25.232 -1.288 -11.419 1.00 12.48 H new ATOM 0 HB2 HIS A 66 -24.716 0.196 -8.803 1.00 12.81 H new ATOM 0 HB3 HIS A 66 -24.217 0.820 -10.363 1.00 12.81 H new ATOM 0 HD2 HIS A 66 -27.053 1.585 -8.244 1.00 13.93 H new ATOM 0 HE1 HIS A 66 -28.906 1.210 -12.018 1.00 14.23 H new ATOM 0 HE2 HIS A 66 -29.232 2.092 -9.634 1.00 14.47 H new ATOM 82 N HIS A 67 -22.649 -1.373 -9.366 1.00 10.90 N ATOM 83 CA HIS A 67 -21.212 -1.766 -9.308 1.00 10.21 C ATOM 84 C HIS A 67 -20.726 -1.702 -7.859 1.00 9.43 C ATOM 85 O HIS A 67 -20.448 -2.710 -7.242 1.00 9.32 O ATOM 86 CB HIS A 67 -20.385 -0.807 -10.167 1.00 10.37 C ATOM 87 CG HIS A 67 -18.926 -1.142 -10.024 1.00 10.53 C ATOM 88 ND1 HIS A 67 -17.932 -0.184 -10.154 1.00 10.58 N ATOM 89 CD2 HIS A 67 -18.277 -2.323 -9.762 1.00 10.88 C ATOM 90 CE1 HIS A 67 -16.750 -0.800 -9.971 1.00 10.97 C ATOM 91 NE2 HIS A 67 -16.902 -2.105 -9.728 1.00 11.15 N ATOM 0 H HIS A 67 -22.994 -0.866 -8.551 1.00 10.90 H new ATOM 0 HA HIS A 67 -21.097 -2.782 -9.686 1.00 10.21 H new ATOM 0 HB2 HIS A 67 -20.687 -0.884 -11.212 1.00 10.37 H new ATOM 0 HB3 HIS A 67 -20.565 0.223 -9.859 1.00 10.37 H new ATOM 0 HD2 HIS A 67 -18.760 -3.277 -9.606 1.00 10.88 H new ATOM 0 HE1 HIS A 67 -15.794 -0.300 -10.015 1.00 10.97 H new ATOM 0 HE2 HIS A 67 -16.169 -2.793 -9.555 1.00 11.15 H new ATOM 99 N PHE A 68 -20.624 -0.522 -7.311 1.00 9.11 N ATOM 100 CA PHE A 68 -20.157 -0.393 -5.902 1.00 8.55 C ATOM 101 C PHE A 68 -21.353 -0.544 -4.957 1.00 7.46 C ATOM 102 O PHE A 68 -22.275 0.248 -4.980 1.00 7.39 O ATOM 103 CB PHE A 68 -19.519 0.982 -5.699 1.00 8.98 C ATOM 104 CG PHE A 68 -18.024 0.828 -5.567 1.00 9.76 C ATOM 105 CD1 PHE A 68 -17.313 0.068 -6.504 1.00 10.29 C ATOM 106 CD2 PHE A 68 -17.348 1.445 -4.507 1.00 10.19 C ATOM 107 CE1 PHE A 68 -15.926 -0.076 -6.379 1.00 11.19 C ATOM 108 CE2 PHE A 68 -15.961 1.302 -4.384 1.00 11.10 C ATOM 109 CZ PHE A 68 -15.250 0.541 -5.320 1.00 11.57 C ATOM 0 H PHE A 68 -20.844 0.358 -7.778 1.00 9.11 H new ATOM 0 HA PHE A 68 -19.421 -1.169 -5.689 1.00 8.55 H new ATOM 0 HB2 PHE A 68 -19.755 1.632 -6.541 1.00 8.98 H new ATOM 0 HB3 PHE A 68 -19.927 1.456 -4.806 1.00 8.98 H new ATOM 0 HD1 PHE A 68 -17.834 -0.407 -7.322 1.00 10.29 H new ATOM 0 HD2 PHE A 68 -17.897 2.031 -3.785 1.00 10.19 H new ATOM 0 HE1 PHE A 68 -15.377 -0.664 -7.100 1.00 11.19 H new ATOM 0 HE2 PHE A 68 -15.439 1.779 -3.567 1.00 11.10 H new ATOM 0 HZ PHE A 68 -14.180 0.430 -5.225 1.00 11.57 H new ATOM 119 N SER A 69 -21.352 -1.552 -4.124 1.00 6.86 N ATOM 120 CA SER A 69 -22.495 -1.739 -3.187 1.00 6.01 C ATOM 121 C SER A 69 -22.177 -2.872 -2.209 1.00 5.07 C ATOM 122 O SER A 69 -23.039 -3.640 -1.833 1.00 5.28 O ATOM 123 CB SER A 69 -23.752 -2.091 -3.983 1.00 6.54 C ATOM 124 OG SER A 69 -23.584 -3.367 -4.587 1.00 7.08 O ATOM 0 H SER A 69 -20.612 -2.250 -4.053 1.00 6.86 H new ATOM 0 HA SER A 69 -22.662 -0.817 -2.630 1.00 6.01 H new ATOM 0 HB2 SER A 69 -24.622 -2.099 -3.326 1.00 6.54 H new ATOM 0 HB3 SER A 69 -23.936 -1.336 -4.747 1.00 6.54 H new ATOM 0 HG SER A 69 -24.389 -3.596 -5.097 1.00 7.08 H new ATOM 130 N GLU A 70 -20.945 -2.980 -1.791 1.00 4.41 N ATOM 131 CA GLU A 70 -20.578 -4.062 -0.835 1.00 3.84 C ATOM 132 C GLU A 70 -19.498 -3.548 0.126 1.00 2.84 C ATOM 133 O GLU A 70 -18.564 -2.895 -0.294 1.00 3.00 O ATOM 134 CB GLU A 70 -20.038 -5.265 -1.611 1.00 4.55 C ATOM 135 CG GLU A 70 -21.180 -5.939 -2.372 1.00 5.41 C ATOM 136 CD GLU A 70 -21.032 -7.459 -2.275 1.00 6.00 C ATOM 137 OE1 GLU A 70 -19.921 -7.912 -2.056 1.00 6.28 O ATOM 138 OE2 GLU A 70 -22.032 -8.142 -2.421 1.00 6.49 O ATOM 0 H GLU A 70 -20.179 -2.367 -2.070 1.00 4.41 H new ATOM 0 HA GLU A 70 -21.459 -4.361 -0.267 1.00 3.84 H new ATOM 0 HB2 GLU A 70 -19.263 -4.943 -2.307 1.00 4.55 H new ATOM 0 HB3 GLU A 70 -19.576 -5.975 -0.925 1.00 4.55 H new ATOM 0 HG2 GLU A 70 -22.140 -5.629 -1.958 1.00 5.41 H new ATOM 0 HG3 GLU A 70 -21.168 -5.628 -3.417 1.00 5.41 H new ATOM 145 N PRO A 71 -19.656 -3.859 1.390 1.00 2.18 N ATOM 146 CA PRO A 71 -18.698 -3.433 2.426 1.00 1.51 C ATOM 147 C PRO A 71 -17.331 -4.075 2.175 1.00 1.23 C ATOM 148 O PRO A 71 -16.300 -3.487 2.433 1.00 1.13 O ATOM 149 CB PRO A 71 -19.294 -3.941 3.745 1.00 1.87 C ATOM 150 CG PRO A 71 -20.589 -4.721 3.409 1.00 2.49 C ATOM 151 CD PRO A 71 -20.795 -4.650 1.888 1.00 2.65 C ATOM 0 HA PRO A 71 -18.547 -2.354 2.433 1.00 1.51 H new ATOM 0 HB2 PRO A 71 -18.583 -4.585 4.262 1.00 1.87 H new ATOM 0 HB3 PRO A 71 -19.512 -3.107 4.412 1.00 1.87 H new ATOM 0 HG2 PRO A 71 -20.507 -5.758 3.736 1.00 2.49 H new ATOM 0 HG3 PRO A 71 -21.442 -4.289 3.931 1.00 2.49 H new ATOM 0 HD2 PRO A 71 -20.809 -5.645 1.444 1.00 2.65 H new ATOM 0 HD3 PRO A 71 -21.745 -4.176 1.639 1.00 2.65 H new ATOM 159 N GLU A 72 -17.317 -5.282 1.679 1.00 1.29 N ATOM 160 CA GLU A 72 -16.022 -5.966 1.417 1.00 1.13 C ATOM 161 C GLU A 72 -15.060 -5.002 0.716 1.00 1.00 C ATOM 162 O GLU A 72 -13.981 -4.730 1.202 1.00 0.97 O ATOM 163 CB GLU A 72 -16.257 -7.194 0.532 1.00 1.32 C ATOM 164 CG GLU A 72 -17.253 -6.849 -0.579 1.00 1.94 C ATOM 165 CD GLU A 72 -16.524 -6.813 -1.923 1.00 2.47 C ATOM 166 OE1 GLU A 72 -15.659 -7.647 -2.129 1.00 3.01 O ATOM 167 OE2 GLU A 72 -16.843 -5.949 -2.724 1.00 2.89 O ATOM 0 H GLU A 72 -18.149 -5.824 1.444 1.00 1.29 H new ATOM 0 HA GLU A 72 -15.586 -6.283 2.364 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -15.314 -7.526 0.098 1.00 1.32 H new ATOM 0 HB3 GLU A 72 -16.640 -8.019 1.133 1.00 1.32 H new ATOM 0 HG2 GLU A 72 -18.054 -7.588 -0.607 1.00 1.94 H new ATOM 0 HG3 GLU A 72 -17.717 -5.883 -0.379 1.00 1.94 H new ATOM 174 N ILE A 73 -15.435 -4.488 -0.422 1.00 0.99 N ATOM 175 CA ILE A 73 -14.537 -3.553 -1.149 1.00 0.91 C ATOM 176 C ILE A 73 -14.169 -2.372 -0.244 1.00 0.80 C ATOM 177 O ILE A 73 -13.081 -1.837 -0.318 1.00 0.74 O ATOM 178 CB ILE A 73 -15.246 -3.049 -2.411 1.00 1.03 C ATOM 179 CG1 ILE A 73 -14.198 -2.558 -3.404 1.00 1.05 C ATOM 180 CG2 ILE A 73 -16.201 -1.902 -2.065 1.00 1.28 C ATOM 181 CD1 ILE A 73 -14.050 -3.580 -4.531 1.00 1.48 C ATOM 0 H ILE A 73 -16.327 -4.677 -0.880 1.00 0.99 H new ATOM 0 HA ILE A 73 -13.622 -4.073 -1.433 1.00 0.91 H new ATOM 0 HB ILE A 73 -15.824 -3.863 -2.848 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -14.492 -1.591 -3.811 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -13.242 -2.415 -2.900 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -16.697 -1.555 -2.972 1.00 1.28 H new ATOM 0 HG22 ILE A 73 -16.949 -2.253 -1.354 1.00 1.28 H new ATOM 0 HG23 ILE A 73 -15.638 -1.080 -1.623 1.00 1.28 H new ATOM 0 HD11 ILE A 73 -13.301 -3.231 -5.242 1.00 1.48 H new ATOM 0 HD12 ILE A 73 -13.737 -4.538 -4.115 1.00 1.48 H new ATOM 0 HD13 ILE A 73 -15.006 -3.701 -5.040 1.00 1.48 H new ATOM 193 N THR A 74 -15.068 -1.956 0.607 1.00 0.81 N ATOM 194 CA THR A 74 -14.766 -0.807 1.507 1.00 0.76 C ATOM 195 C THR A 74 -13.624 -1.180 2.457 1.00 0.68 C ATOM 196 O THR A 74 -12.682 -0.432 2.636 1.00 0.62 O ATOM 197 CB THR A 74 -16.014 -0.462 2.323 1.00 0.86 C ATOM 198 OG1 THR A 74 -17.167 -0.612 1.507 1.00 1.35 O ATOM 199 CG2 THR A 74 -15.922 0.983 2.817 1.00 1.19 C ATOM 0 H THR A 74 -15.997 -2.362 0.717 1.00 0.81 H new ATOM 0 HA THR A 74 -14.469 0.054 0.908 1.00 0.76 H new ATOM 0 HB THR A 74 -16.084 -1.132 3.180 1.00 0.86 H new ATOM 0 HG1 THR A 74 -17.947 -0.244 1.972 1.00 1.35 H new ATOM 0 HG21 THR A 74 -16.812 1.226 3.398 1.00 1.19 H new ATOM 0 HG22 THR A 74 -15.037 1.098 3.443 1.00 1.19 H new ATOM 0 HG23 THR A 74 -15.851 1.656 1.962 1.00 1.19 H new ATOM 207 N LEU A 75 -13.695 -2.333 3.065 1.00 0.72 N ATOM 208 CA LEU A 75 -12.611 -2.748 4.000 1.00 0.69 C ATOM 209 C LEU A 75 -11.386 -3.176 3.198 1.00 0.58 C ATOM 210 O LEU A 75 -10.277 -2.775 3.488 1.00 0.50 O ATOM 211 CB LEU A 75 -13.086 -3.918 4.868 1.00 0.82 C ATOM 212 CG LEU A 75 -12.480 -3.798 6.269 1.00 0.88 C ATOM 213 CD1 LEU A 75 -12.662 -5.120 7.016 1.00 0.87 C ATOM 214 CD2 LEU A 75 -10.986 -3.481 6.159 1.00 1.02 C ATOM 0 H LEU A 75 -14.455 -3.004 2.955 1.00 0.72 H new ATOM 0 HA LEU A 75 -12.354 -1.907 4.644 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -14.174 -3.919 4.930 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -12.792 -4.864 4.413 1.00 0.82 H new ATOM 0 HG LEU A 75 -12.982 -2.997 6.812 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -12.231 -5.036 8.014 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -13.725 -5.348 7.098 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -12.160 -5.919 6.470 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -10.558 -3.396 7.158 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -10.483 -4.281 5.615 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -10.852 -2.540 5.626 1.00 1.02 H new ATOM 226 N ILE A 76 -11.568 -3.984 2.191 1.00 0.62 N ATOM 227 CA ILE A 76 -10.394 -4.418 1.389 1.00 0.57 C ATOM 228 C ILE A 76 -9.689 -3.175 0.849 1.00 0.45 C ATOM 229 O ILE A 76 -8.487 -3.038 0.957 1.00 0.38 O ATOM 230 CB ILE A 76 -10.858 -5.295 0.224 1.00 0.69 C ATOM 231 CG1 ILE A 76 -11.702 -6.454 0.759 1.00 0.91 C ATOM 232 CG2 ILE A 76 -9.638 -5.854 -0.509 1.00 0.76 C ATOM 233 CD1 ILE A 76 -12.471 -7.096 -0.397 1.00 1.10 C ATOM 0 H ILE A 76 -12.469 -4.358 1.892 1.00 0.62 H new ATOM 0 HA ILE A 76 -9.710 -4.995 2.012 1.00 0.57 H new ATOM 0 HB ILE A 76 -11.456 -4.697 -0.463 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -11.062 -7.193 1.240 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -12.397 -6.093 1.517 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -9.967 -6.479 -1.339 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -9.035 -5.031 -0.892 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -9.041 -6.451 0.180 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -13.073 -7.922 -0.019 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -13.122 -6.353 -0.858 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -11.766 -7.471 -1.139 1.00 1.10 H new ATOM 245 N ILE A 77 -10.427 -2.255 0.290 1.00 0.44 N ATOM 246 CA ILE A 77 -9.785 -1.017 -0.224 1.00 0.36 C ATOM 247 C ILE A 77 -9.041 -0.343 0.928 1.00 0.28 C ATOM 248 O ILE A 77 -7.895 0.043 0.803 1.00 0.25 O ATOM 249 CB ILE A 77 -10.856 -0.069 -0.770 1.00 0.39 C ATOM 250 CG1 ILE A 77 -11.400 -0.623 -2.088 1.00 1.21 C ATOM 251 CG2 ILE A 77 -10.242 1.310 -1.013 1.00 1.18 C ATOM 252 CD1 ILE A 77 -10.336 -0.486 -3.178 1.00 1.58 C ATOM 0 H ILE A 77 -11.438 -2.308 0.169 1.00 0.44 H new ATOM 0 HA ILE A 77 -9.089 -1.262 -1.026 1.00 0.36 H new ATOM 0 HB ILE A 77 -11.667 0.017 -0.047 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -11.679 -1.670 -1.967 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -12.302 -0.084 -2.376 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -11.005 1.985 -1.402 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -9.852 1.705 -0.075 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -9.431 1.225 -1.736 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -10.724 -0.881 -4.117 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -10.079 0.566 -3.305 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -9.446 -1.045 -2.890 1.00 1.58 H new ATOM 264 N PHE A 78 -9.686 -0.206 2.058 1.00 0.31 N ATOM 265 CA PHE A 78 -9.017 0.434 3.228 1.00 0.32 C ATOM 266 C PHE A 78 -7.742 -0.334 3.572 1.00 0.30 C ATOM 267 O PHE A 78 -6.692 0.244 3.776 1.00 0.30 O ATOM 268 CB PHE A 78 -9.955 0.429 4.440 1.00 0.41 C ATOM 269 CG PHE A 78 -10.624 1.777 4.562 1.00 0.80 C ATOM 270 CD1 PHE A 78 -11.046 2.454 3.411 1.00 1.66 C ATOM 271 CD2 PHE A 78 -10.818 2.352 5.823 1.00 1.52 C ATOM 272 CE1 PHE A 78 -11.663 3.705 3.523 1.00 2.09 C ATOM 273 CE2 PHE A 78 -11.436 3.603 5.935 1.00 1.97 C ATOM 274 CZ PHE A 78 -11.858 4.280 4.784 1.00 1.95 C ATOM 0 H PHE A 78 -10.646 -0.510 2.220 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.768 1.464 2.973 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.706 -0.353 4.329 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.394 0.206 5.347 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -10.895 2.011 2.438 1.00 1.66 H new ATOM 0 HD2 PHE A 78 -10.491 1.830 6.710 1.00 1.52 H new ATOM 0 HE1 PHE A 78 -11.989 4.227 2.636 1.00 2.09 H new ATOM 0 HE2 PHE A 78 -11.587 4.046 6.908 1.00 1.97 H new ATOM 0 HZ PHE A 78 -12.334 5.246 4.869 1.00 1.95 H new ATOM 284 N GLY A 79 -7.823 -1.637 3.646 1.00 0.31 N ATOM 285 CA GLY A 79 -6.611 -2.438 3.985 1.00 0.32 C ATOM 286 C GLY A 79 -5.502 -2.142 2.978 1.00 0.26 C ATOM 287 O GLY A 79 -4.370 -1.895 3.346 1.00 0.26 O ATOM 0 H GLY A 79 -8.673 -2.179 3.487 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.274 -2.197 4.993 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -6.851 -3.501 3.975 1.00 0.32 H new ATOM 291 N VAL A 80 -5.812 -2.155 1.708 1.00 0.23 N ATOM 292 CA VAL A 80 -4.759 -1.864 0.698 1.00 0.22 C ATOM 293 C VAL A 80 -4.162 -0.486 0.988 1.00 0.21 C ATOM 294 O VAL A 80 -2.960 -0.315 1.041 1.00 0.22 O ATOM 295 CB VAL A 80 -5.379 -1.878 -0.701 1.00 0.24 C ATOM 296 CG1 VAL A 80 -4.296 -1.592 -1.743 1.00 0.28 C ATOM 297 CG2 VAL A 80 -5.992 -3.257 -0.970 1.00 0.28 C ATOM 0 H VAL A 80 -6.739 -2.353 1.332 1.00 0.23 H new ATOM 0 HA VAL A 80 -3.975 -2.620 0.748 1.00 0.22 H new ATOM 0 HB VAL A 80 -6.154 -1.114 -0.764 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.738 -1.602 -2.739 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -3.856 -0.613 -1.551 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.521 -2.356 -1.682 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.435 -3.270 -1.966 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -5.215 -4.019 -0.908 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -6.763 -3.464 -0.228 1.00 0.28 H new ATOM 307 N MET A 81 -4.999 0.493 1.204 1.00 0.22 N ATOM 308 CA MET A 81 -4.483 1.852 1.521 1.00 0.25 C ATOM 309 C MET A 81 -3.599 1.774 2.766 1.00 0.27 C ATOM 310 O MET A 81 -2.509 2.308 2.806 1.00 0.28 O ATOM 311 CB MET A 81 -5.657 2.798 1.782 1.00 0.29 C ATOM 312 CG MET A 81 -6.401 3.061 0.471 1.00 0.36 C ATOM 313 SD MET A 81 -6.346 4.829 0.091 1.00 1.07 S ATOM 314 CE MET A 81 -7.915 5.276 0.873 1.00 1.70 C ATOM 0 H MET A 81 -6.015 0.409 1.174 1.00 0.22 H new ATOM 0 HA MET A 81 -3.900 2.229 0.681 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.334 2.361 2.516 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.295 3.737 2.202 1.00 0.29 H new ATOM 0 HG2 MET A 81 -5.946 2.490 -0.338 1.00 0.36 H new ATOM 0 HG3 MET A 81 -7.436 2.728 0.554 1.00 0.36 H new ATOM 0 HE1 MET A 81 -8.087 6.346 0.757 1.00 1.70 H new ATOM 0 HE2 MET A 81 -8.727 4.724 0.400 1.00 1.70 H new ATOM 0 HE3 MET A 81 -7.877 5.027 1.934 1.00 1.70 H new ATOM 324 N ALA A 82 -4.074 1.111 3.788 1.00 0.28 N ATOM 325 CA ALA A 82 -3.279 0.992 5.041 1.00 0.32 C ATOM 326 C ALA A 82 -1.917 0.353 4.743 1.00 0.30 C ATOM 327 O ALA A 82 -0.895 0.831 5.195 1.00 0.30 O ATOM 328 CB ALA A 82 -4.050 0.154 6.073 1.00 0.37 C ATOM 0 H ALA A 82 -4.982 0.646 3.806 1.00 0.28 H new ATOM 0 HA ALA A 82 -3.112 1.988 5.452 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.462 0.071 6.987 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -5.001 0.637 6.296 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.234 -0.841 5.669 1.00 0.37 H new ATOM 334 N GLY A 83 -1.879 -0.721 3.991 1.00 0.28 N ATOM 335 CA GLY A 83 -0.567 -1.358 3.692 1.00 0.27 C ATOM 336 C GLY A 83 0.350 -0.334 3.028 1.00 0.23 C ATOM 337 O GLY A 83 1.496 -0.177 3.400 1.00 0.23 O ATOM 0 H GLY A 83 -2.692 -1.177 3.577 1.00 0.28 H new ATOM 0 HA2 GLY A 83 -0.112 -1.729 4.610 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.708 -2.217 3.036 1.00 0.27 H new ATOM 341 N VAL A 84 -0.146 0.372 2.048 1.00 0.21 N ATOM 342 CA VAL A 84 0.701 1.390 1.369 1.00 0.19 C ATOM 343 C VAL A 84 1.216 2.400 2.399 1.00 0.20 C ATOM 344 O VAL A 84 2.385 2.729 2.426 1.00 0.19 O ATOM 345 CB VAL A 84 -0.123 2.119 0.307 1.00 0.22 C ATOM 346 CG1 VAL A 84 0.702 3.264 -0.281 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.497 1.138 -0.807 1.00 0.27 C ATOM 0 H VAL A 84 -1.098 0.287 1.690 1.00 0.21 H new ATOM 0 HA VAL A 84 1.547 0.894 0.893 1.00 0.19 H new ATOM 0 HB VAL A 84 -1.029 2.520 0.761 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.115 3.784 -1.038 1.00 0.28 H new ATOM 0 HG12 VAL A 84 0.972 3.962 0.511 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.608 2.863 -0.736 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -1.085 1.655 -1.565 1.00 0.27 H new ATOM 0 HG22 VAL A 84 0.410 0.739 -1.261 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -1.084 0.320 -0.389 1.00 0.27 H new ATOM 357 N ILE A 85 0.352 2.899 3.244 1.00 0.23 N ATOM 358 CA ILE A 85 0.798 3.891 4.262 1.00 0.27 C ATOM 359 C ILE A 85 1.918 3.294 5.120 1.00 0.27 C ATOM 360 O ILE A 85 2.935 3.919 5.345 1.00 0.28 O ATOM 361 CB ILE A 85 -0.385 4.265 5.158 1.00 0.33 C ATOM 362 CG1 ILE A 85 -1.397 5.079 4.349 1.00 0.67 C ATOM 363 CG2 ILE A 85 0.111 5.098 6.339 1.00 0.75 C ATOM 364 CD1 ILE A 85 -2.774 4.990 5.009 1.00 1.20 C ATOM 0 H ILE A 85 -0.640 2.662 3.272 1.00 0.23 H new ATOM 0 HA ILE A 85 1.172 4.781 3.755 1.00 0.27 H new ATOM 0 HB ILE A 85 -0.860 3.357 5.530 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -1.078 6.120 4.290 1.00 0.67 H new ATOM 0 HG13 ILE A 85 -1.448 4.703 3.327 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -0.732 5.364 6.976 1.00 0.75 H new ATOM 0 HG22 ILE A 85 0.833 4.519 6.915 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.587 6.006 5.969 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -3.493 5.571 4.431 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -3.094 3.949 5.045 1.00 1.20 H new ATOM 0 HD13 ILE A 85 -2.718 5.387 6.022 1.00 1.20 H new ATOM 376 N GLY A 86 1.747 2.090 5.600 1.00 0.29 N ATOM 377 CA GLY A 86 2.815 1.473 6.437 1.00 0.33 C ATOM 378 C GLY A 86 4.119 1.436 5.642 1.00 0.30 C ATOM 379 O GLY A 86 5.168 1.813 6.127 1.00 0.33 O ATOM 0 H GLY A 86 0.920 1.512 5.450 1.00 0.29 H new ATOM 0 HA2 GLY A 86 2.951 2.046 7.354 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.526 0.464 6.731 1.00 0.33 H new ATOM 383 N THR A 87 4.057 0.990 4.418 1.00 0.25 N ATOM 384 CA THR A 87 5.286 0.933 3.579 1.00 0.25 C ATOM 385 C THR A 87 5.903 2.330 3.484 1.00 0.26 C ATOM 386 O THR A 87 7.093 2.508 3.649 1.00 0.32 O ATOM 387 CB THR A 87 4.927 0.433 2.177 1.00 0.24 C ATOM 388 OG1 THR A 87 4.175 -0.769 2.284 1.00 0.34 O ATOM 389 CG2 THR A 87 6.209 0.167 1.385 1.00 0.31 C ATOM 0 H THR A 87 3.206 0.662 3.962 1.00 0.25 H new ATOM 0 HA THR A 87 6.004 0.250 4.032 1.00 0.25 H new ATOM 0 HB THR A 87 4.334 1.188 1.661 1.00 0.24 H new ATOM 0 HG1 THR A 87 3.244 -0.554 2.502 1.00 0.34 H new ATOM 0 HG21 THR A 87 5.953 -0.189 0.387 1.00 0.31 H new ATOM 0 HG22 THR A 87 6.785 1.089 1.305 1.00 0.31 H new ATOM 0 HG23 THR A 87 6.804 -0.589 1.898 1.00 0.31 H new ATOM 397 N ILE A 88 5.100 3.323 3.210 1.00 0.24 N ATOM 398 CA ILE A 88 5.638 4.708 3.095 1.00 0.33 C ATOM 399 C ILE A 88 6.355 5.089 4.391 1.00 0.39 C ATOM 400 O ILE A 88 7.457 5.599 4.371 1.00 0.47 O ATOM 401 CB ILE A 88 4.486 5.680 2.839 1.00 0.37 C ATOM 402 CG1 ILE A 88 3.937 5.458 1.427 1.00 0.39 C ATOM 403 CG2 ILE A 88 4.993 7.119 2.967 1.00 0.47 C ATOM 404 CD1 ILE A 88 2.587 6.162 1.285 1.00 0.49 C ATOM 0 H ILE A 88 4.095 3.234 3.061 1.00 0.24 H new ATOM 0 HA ILE A 88 6.345 4.757 2.266 1.00 0.33 H new ATOM 0 HB ILE A 88 3.696 5.507 3.569 1.00 0.37 H new ATOM 0 HG12 ILE A 88 4.639 5.844 0.688 1.00 0.39 H new ATOM 0 HG13 ILE A 88 3.824 4.391 1.233 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.172 7.812 2.784 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.386 7.278 3.971 1.00 0.47 H new ATOM 0 HG23 ILE A 88 5.783 7.293 2.237 1.00 0.47 H new ATOM 0 HD11 ILE A 88 2.198 6.003 0.279 1.00 0.49 H new ATOM 0 HD12 ILE A 88 1.886 5.755 2.014 1.00 0.49 H new ATOM 0 HD13 ILE A 88 2.714 7.230 1.460 1.00 0.49 H new ATOM 416 N LEU A 89 5.745 4.845 5.520 1.00 0.39 N ATOM 417 CA LEU A 89 6.409 5.195 6.806 1.00 0.49 C ATOM 418 C LEU A 89 7.764 4.479 6.872 1.00 0.53 C ATOM 419 O LEU A 89 8.775 5.071 7.199 1.00 0.62 O ATOM 420 CB LEU A 89 5.494 4.809 7.992 1.00 0.53 C ATOM 421 CG LEU A 89 5.930 3.491 8.650 1.00 0.59 C ATOM 422 CD1 LEU A 89 7.181 3.728 9.499 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.802 2.977 9.548 1.00 0.65 C ATOM 0 H LEU A 89 4.821 4.421 5.606 1.00 0.39 H new ATOM 0 HA LEU A 89 6.583 6.269 6.867 1.00 0.49 H new ATOM 0 HB2 LEU A 89 5.507 5.607 8.735 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.466 4.717 7.642 1.00 0.53 H new ATOM 0 HG LEU A 89 6.151 2.756 7.876 1.00 0.59 H new ATOM 0 HD11 LEU A 89 7.488 2.791 9.964 1.00 0.68 H new ATOM 0 HD12 LEU A 89 7.986 4.099 8.865 1.00 0.68 H new ATOM 0 HD13 LEU A 89 6.961 4.463 10.273 1.00 0.68 H new ATOM 0 HD21 LEU A 89 5.108 2.042 10.017 1.00 0.65 H new ATOM 0 HD22 LEU A 89 4.586 3.716 10.320 1.00 0.65 H new ATOM 0 HD23 LEU A 89 3.908 2.807 8.948 1.00 0.65 H new ATOM 435 N LEU A 90 7.792 3.214 6.556 1.00 0.49 N ATOM 436 CA LEU A 90 9.081 2.464 6.590 1.00 0.57 C ATOM 437 C LEU A 90 10.090 3.152 5.669 1.00 0.60 C ATOM 438 O LEU A 90 11.228 3.374 6.033 1.00 0.71 O ATOM 439 CB LEU A 90 8.851 1.026 6.116 1.00 0.56 C ATOM 440 CG LEU A 90 10.176 0.261 6.150 1.00 1.24 C ATOM 441 CD1 LEU A 90 9.904 -1.234 6.344 1.00 1.76 C ATOM 442 CD2 LEU A 90 10.925 0.473 4.832 1.00 1.92 C ATOM 0 H LEU A 90 6.979 2.666 6.276 1.00 0.49 H new ATOM 0 HA LEU A 90 9.468 2.449 7.609 1.00 0.57 H new ATOM 0 HB2 LEU A 90 8.118 0.534 6.755 1.00 0.56 H new ATOM 0 HB3 LEU A 90 8.444 1.025 5.105 1.00 0.56 H new ATOM 0 HG LEU A 90 10.782 0.630 6.977 1.00 1.24 H new ATOM 0 HD11 LEU A 90 10.850 -1.776 6.368 1.00 1.76 H new ATOM 0 HD12 LEU A 90 9.374 -1.388 7.284 1.00 1.76 H new ATOM 0 HD13 LEU A 90 9.295 -1.603 5.519 1.00 1.76 H new ATOM 0 HD21 LEU A 90 11.868 -0.072 4.858 1.00 1.92 H new ATOM 0 HD22 LEU A 90 10.317 0.107 4.005 1.00 1.92 H new ATOM 0 HD23 LEU A 90 11.124 1.536 4.693 1.00 1.92 H new ATOM 454 N ILE A 91 9.681 3.486 4.475 1.00 0.55 N ATOM 455 CA ILE A 91 10.615 4.153 3.525 1.00 0.65 C ATOM 456 C ILE A 91 11.163 5.432 4.151 1.00 0.75 C ATOM 457 O ILE A 91 12.351 5.683 4.124 1.00 0.87 O ATOM 458 CB ILE A 91 9.869 4.499 2.236 1.00 0.63 C ATOM 459 CG1 ILE A 91 9.362 3.211 1.579 1.00 0.58 C ATOM 460 CG2 ILE A 91 10.816 5.220 1.276 1.00 0.75 C ATOM 461 CD1 ILE A 91 8.609 3.557 0.294 1.00 0.66 C ATOM 0 H ILE A 91 8.740 3.325 4.117 1.00 0.55 H new ATOM 0 HA ILE A 91 11.441 3.478 3.301 1.00 0.65 H new ATOM 0 HB ILE A 91 9.024 5.147 2.468 1.00 0.63 H new ATOM 0 HG12 ILE A 91 10.199 2.550 1.356 1.00 0.58 H new ATOM 0 HG13 ILE A 91 8.706 2.674 2.264 1.00 0.58 H new ATOM 0 HG21 ILE A 91 10.284 5.467 0.357 1.00 0.75 H new ATOM 0 HG22 ILE A 91 11.179 6.136 1.742 1.00 0.75 H new ATOM 0 HG23 ILE A 91 11.661 4.572 1.043 1.00 0.75 H new ATOM 0 HD11 ILE A 91 8.248 2.641 -0.174 1.00 0.66 H new ATOM 0 HD12 ILE A 91 7.762 4.202 0.531 1.00 0.66 H new ATOM 0 HD13 ILE A 91 9.279 4.075 -0.392 1.00 0.66 H new ATOM 473 N SER A 92 10.318 6.247 4.723 1.00 0.73 N ATOM 474 CA SER A 92 10.831 7.494 5.346 1.00 0.87 C ATOM 475 C SER A 92 11.878 7.113 6.389 1.00 0.94 C ATOM 476 O SER A 92 12.963 7.661 6.426 1.00 1.07 O ATOM 477 CB SER A 92 9.682 8.245 6.017 1.00 0.86 C ATOM 478 OG SER A 92 8.683 8.537 5.049 1.00 1.29 O ATOM 0 H SER A 92 9.310 6.104 4.784 1.00 0.73 H new ATOM 0 HA SER A 92 11.275 8.139 4.587 1.00 0.87 H new ATOM 0 HB2 SER A 92 9.260 7.643 6.822 1.00 0.86 H new ATOM 0 HB3 SER A 92 10.049 9.167 6.467 1.00 0.86 H new ATOM 0 HG SER A 92 8.160 7.729 4.865 1.00 1.29 H new ATOM 484 N TYR A 93 11.569 6.161 7.228 1.00 0.89 N ATOM 485 CA TYR A 93 12.558 5.730 8.254 1.00 1.00 C ATOM 486 C TYR A 93 13.846 5.276 7.557 1.00 1.05 C ATOM 487 O TYR A 93 14.935 5.665 7.929 1.00 1.18 O ATOM 488 CB TYR A 93 11.979 4.567 9.063 1.00 0.96 C ATOM 489 CG TYR A 93 12.491 4.633 10.481 1.00 1.27 C ATOM 490 CD1 TYR A 93 13.855 4.447 10.742 1.00 2.13 C ATOM 491 CD2 TYR A 93 11.604 4.880 11.535 1.00 1.62 C ATOM 492 CE1 TYR A 93 14.329 4.507 12.057 1.00 2.53 C ATOM 493 CE2 TYR A 93 12.079 4.940 12.851 1.00 1.95 C ATOM 494 CZ TYR A 93 13.442 4.754 13.112 1.00 2.15 C ATOM 495 OH TYR A 93 13.911 4.813 14.409 1.00 2.64 O ATOM 0 H TYR A 93 10.678 5.666 7.246 1.00 0.89 H new ATOM 0 HA TYR A 93 12.778 6.563 8.922 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.890 4.613 9.056 1.00 0.96 H new ATOM 0 HB3 TYR A 93 12.261 3.618 8.607 1.00 0.96 H new ATOM 0 HD1 TYR A 93 14.540 4.257 9.929 1.00 2.13 H new ATOM 0 HD2 TYR A 93 10.553 5.024 11.333 1.00 1.62 H new ATOM 0 HE1 TYR A 93 15.380 4.363 12.259 1.00 2.53 H new ATOM 0 HE2 TYR A 93 11.394 5.130 13.664 1.00 1.95 H new ATOM 0 HH TYR A 93 13.165 4.993 15.019 1.00 2.64 H new ATOM 505 N GLY A 94 13.726 4.456 6.543 1.00 0.97 N ATOM 506 CA GLY A 94 14.939 3.980 5.818 1.00 1.05 C ATOM 507 C GLY A 94 15.721 5.181 5.289 1.00 1.16 C ATOM 508 O GLY A 94 16.922 5.271 5.446 1.00 1.29 O ATOM 0 H GLY A 94 12.840 4.097 6.188 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.566 3.390 6.486 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.650 3.329 4.993 1.00 1.05 H new ATOM 512 N ILE A 95 15.046 6.107 4.664 1.00 1.14 N ATOM 513 CA ILE A 95 15.754 7.306 4.128 1.00 1.29 C ATOM 514 C ILE A 95 16.493 8.005 5.273 1.00 1.41 C ATOM 515 O ILE A 95 17.649 8.362 5.153 1.00 1.55 O ATOM 516 CB ILE A 95 14.739 8.268 3.488 1.00 1.28 C ATOM 517 CG1 ILE A 95 14.414 7.796 2.067 1.00 1.74 C ATOM 518 CG2 ILE A 95 15.323 9.684 3.420 1.00 1.77 C ATOM 519 CD1 ILE A 95 12.907 7.571 1.936 1.00 2.19 C ATOM 0 H ILE A 95 14.039 6.086 4.501 1.00 1.14 H new ATOM 0 HA ILE A 95 16.472 7.000 3.367 1.00 1.29 H new ATOM 0 HB ILE A 95 13.834 8.279 4.095 1.00 1.28 H new ATOM 0 HG12 ILE A 95 14.746 8.538 1.341 1.00 1.74 H new ATOM 0 HG13 ILE A 95 14.951 6.873 1.847 1.00 1.74 H new ATOM 0 HG21 ILE A 95 14.595 10.356 2.965 1.00 1.77 H new ATOM 0 HG22 ILE A 95 15.557 10.030 4.427 1.00 1.77 H new ATOM 0 HG23 ILE A 95 16.233 9.674 2.820 1.00 1.77 H new ATOM 0 HD11 ILE A 95 12.676 7.235 0.925 1.00 2.19 H new ATOM 0 HD12 ILE A 95 12.589 6.813 2.652 1.00 2.19 H new ATOM 0 HD13 ILE A 95 12.381 8.504 2.138 1.00 2.19 H new ATOM 531 N ARG A 96 15.834 8.209 6.382 1.00 1.37 N ATOM 532 CA ARG A 96 16.503 8.889 7.529 1.00 1.51 C ATOM 533 C ARG A 96 17.763 8.113 7.917 1.00 1.58 C ATOM 534 O ARG A 96 18.820 8.677 8.110 1.00 1.73 O ATOM 535 CB ARG A 96 15.550 8.940 8.727 1.00 1.46 C ATOM 536 CG ARG A 96 16.028 10.006 9.715 1.00 1.73 C ATOM 537 CD ARG A 96 14.852 10.906 10.101 1.00 2.03 C ATOM 538 NE ARG A 96 13.727 10.064 10.600 1.00 2.00 N ATOM 539 CZ ARG A 96 12.742 10.613 11.256 1.00 2.45 C ATOM 540 NH1 ARG A 96 11.739 11.137 10.608 1.00 2.76 N ATOM 541 NH2 ARG A 96 12.760 10.636 12.561 1.00 3.14 N ATOM 0 H ARG A 96 14.865 7.935 6.543 1.00 1.37 H new ATOM 0 HA ARG A 96 16.773 9.904 7.238 1.00 1.51 H new ATOM 0 HB2 ARG A 96 14.538 9.168 8.391 1.00 1.46 H new ATOM 0 HB3 ARG A 96 15.512 7.967 9.216 1.00 1.46 H new ATOM 0 HG2 ARG A 96 16.445 9.533 10.604 1.00 1.73 H new ATOM 0 HG3 ARG A 96 16.824 10.601 9.268 1.00 1.73 H new ATOM 0 HD2 ARG A 96 15.159 11.615 10.870 1.00 2.03 H new ATOM 0 HD3 ARG A 96 14.529 11.491 9.240 1.00 2.03 H new ATOM 0 HE ARG A 96 13.728 9.059 10.428 1.00 2.00 H new ATOM 0 HH11 ARG A 96 11.725 11.118 9.588 1.00 2.76 H new ATOM 0 HH12 ARG A 96 10.969 11.566 11.121 1.00 2.76 H new ATOM 0 HH21 ARG A 96 13.544 10.225 13.068 1.00 3.14 H new ATOM 0 HH22 ARG A 96 11.990 11.065 13.074 1.00 3.14 H new ATOM 555 N ARG A 97 17.665 6.823 8.043 1.00 1.50 N ATOM 556 CA ARG A 97 18.870 6.033 8.417 1.00 1.59 C ATOM 557 C ARG A 97 19.982 6.267 7.389 1.00 1.69 C ATOM 558 O ARG A 97 21.123 6.504 7.736 1.00 1.84 O ATOM 559 CB ARG A 97 18.525 4.542 8.474 1.00 1.50 C ATOM 560 CG ARG A 97 19.426 3.852 9.500 1.00 1.77 C ATOM 561 CD ARG A 97 20.552 3.109 8.780 1.00 2.23 C ATOM 562 NE ARG A 97 19.973 2.017 7.947 1.00 2.70 N ATOM 563 CZ ARG A 97 20.702 1.440 7.031 1.00 3.07 C ATOM 564 NH1 ARG A 97 21.955 1.167 7.270 1.00 3.56 N ATOM 565 NH2 ARG A 97 20.176 1.135 5.876 1.00 3.58 N ATOM 0 H ARG A 97 16.811 6.283 7.905 1.00 1.50 H new ATOM 0 HA ARG A 97 19.213 6.355 9.400 1.00 1.59 H new ATOM 0 HB2 ARG A 97 17.478 4.410 8.746 1.00 1.50 H new ATOM 0 HB3 ARG A 97 18.659 4.088 7.492 1.00 1.50 H new ATOM 0 HG2 ARG A 97 19.844 4.589 10.185 1.00 1.77 H new ATOM 0 HG3 ARG A 97 18.842 3.154 10.100 1.00 1.77 H new ATOM 0 HD2 ARG A 97 21.115 3.800 8.153 1.00 2.23 H new ATOM 0 HD3 ARG A 97 21.252 2.695 9.506 1.00 2.23 H new ATOM 0 HE ARG A 97 19.008 1.721 8.093 1.00 2.70 H new ATOM 0 HH11 ARG A 97 22.365 1.404 8.173 1.00 3.56 H new ATOM 0 HH12 ARG A 97 22.524 0.716 6.554 1.00 3.56 H new ATOM 0 HH21 ARG A 97 19.196 1.348 5.690 1.00 3.58 H new ATOM 0 HH22 ARG A 97 20.745 0.684 5.160 1.00 3.58 H new ATOM 579 N LEU A 98 19.659 6.189 6.126 1.00 1.64 N ATOM 580 CA LEU A 98 20.694 6.392 5.070 1.00 1.75 C ATOM 581 C LEU A 98 21.355 7.762 5.236 1.00 1.91 C ATOM 582 O LEU A 98 22.563 7.888 5.191 1.00 2.05 O ATOM 583 CB LEU A 98 20.035 6.310 3.692 1.00 1.69 C ATOM 584 CG LEU A 98 20.097 4.869 3.181 1.00 2.11 C ATOM 585 CD1 LEU A 98 18.951 4.625 2.198 1.00 2.66 C ATOM 586 CD2 LEU A 98 21.433 4.637 2.473 1.00 2.38 C ATOM 0 H LEU A 98 18.720 5.993 5.779 1.00 1.64 H new ATOM 0 HA LEU A 98 21.455 5.617 5.163 1.00 1.75 H new ATOM 0 HB2 LEU A 98 18.998 6.641 3.753 1.00 1.69 H new ATOM 0 HB3 LEU A 98 20.542 6.977 2.994 1.00 1.69 H new ATOM 0 HG LEU A 98 20.006 4.182 4.022 1.00 2.11 H new ATOM 0 HD11 LEU A 98 18.996 3.598 1.834 1.00 2.66 H new ATOM 0 HD12 LEU A 98 17.998 4.790 2.701 1.00 2.66 H new ATOM 0 HD13 LEU A 98 19.041 5.312 1.357 1.00 2.66 H new ATOM 0 HD21 LEU A 98 21.478 3.611 2.109 1.00 2.38 H new ATOM 0 HD22 LEU A 98 21.524 5.325 1.632 1.00 2.38 H new ATOM 0 HD23 LEU A 98 22.251 4.810 3.173 1.00 2.38 H new ATOM 598 N ILE A 99 20.575 8.790 5.418 1.00 1.90 N ATOM 599 CA ILE A 99 21.161 10.152 5.576 1.00 2.06 C ATOM 600 C ILE A 99 21.658 10.340 7.011 1.00 2.14 C ATOM 601 O ILE A 99 22.466 11.204 7.289 1.00 2.20 O ATOM 602 CB ILE A 99 20.097 11.205 5.264 1.00 2.05 C ATOM 603 CG1 ILE A 99 18.778 10.805 5.928 1.00 1.98 C ATOM 604 CG2 ILE A 99 19.897 11.299 3.751 1.00 2.03 C ATOM 605 CD1 ILE A 99 18.232 11.984 6.736 1.00 2.00 C ATOM 0 H ILE A 99 19.557 8.747 5.464 1.00 1.90 H new ATOM 0 HA ILE A 99 21.999 10.264 4.888 1.00 2.06 H new ATOM 0 HB ILE A 99 20.421 12.173 5.647 1.00 2.05 H new ATOM 0 HG12 ILE A 99 18.054 10.504 5.170 1.00 1.98 H new ATOM 0 HG13 ILE A 99 18.933 9.945 6.580 1.00 1.98 H new ATOM 0 HG21 ILE A 99 19.138 12.050 3.530 1.00 2.03 H new ATOM 0 HG22 ILE A 99 20.837 11.582 3.277 1.00 2.03 H new ATOM 0 HG23 ILE A 99 19.573 10.332 3.366 1.00 2.03 H new ATOM 0 HD11 ILE A 99 17.292 11.697 7.208 1.00 2.00 H new ATOM 0 HD12 ILE A 99 18.953 12.264 7.504 1.00 2.00 H new ATOM 0 HD13 ILE A 99 18.061 12.832 6.072 1.00 2.00 H new ATOM 617 N LYS A 100 21.184 9.540 7.925 1.00 2.35 N ATOM 618 CA LYS A 100 21.633 9.679 9.339 1.00 2.45 C ATOM 619 C LYS A 100 21.764 8.293 9.972 1.00 2.85 C ATOM 620 O LYS A 100 20.815 7.539 10.036 1.00 3.21 O ATOM 621 CB LYS A 100 20.608 10.502 10.121 1.00 2.30 C ATOM 622 CG LYS A 100 21.335 11.511 11.012 1.00 2.60 C ATOM 623 CD LYS A 100 21.443 12.853 10.283 1.00 2.94 C ATOM 624 CE LYS A 100 22.719 13.573 10.724 1.00 3.56 C ATOM 625 NZ LYS A 100 23.906 12.886 10.139 1.00 3.91 N ATOM 0 H LYS A 100 20.506 8.797 7.755 1.00 2.35 H new ATOM 0 HA LYS A 100 22.599 10.182 9.365 1.00 2.45 H new ATOM 0 HB2 LYS A 100 19.942 11.022 9.432 1.00 2.30 H new ATOM 0 HB3 LYS A 100 19.987 9.845 10.730 1.00 2.30 H new ATOM 0 HG2 LYS A 100 20.796 11.638 11.951 1.00 2.60 H new ATOM 0 HG3 LYS A 100 22.329 11.141 11.263 1.00 2.60 H new ATOM 0 HD2 LYS A 100 21.457 12.693 9.205 1.00 2.94 H new ATOM 0 HD3 LYS A 100 20.571 13.469 10.502 1.00 2.94 H new ATOM 0 HE2 LYS A 100 22.692 14.614 10.401 1.00 3.56 H new ATOM 0 HE3 LYS A 100 22.788 13.579 11.812 1.00 3.56 H new ATOM 0 HZ1 LYS A 100 24.684 13.568 10.033 1.00 3.91 H new ATOM 0 HZ2 LYS A 100 24.205 12.114 10.768 1.00 3.91 H new ATOM 0 HZ3 LYS A 100 23.658 12.497 9.207 1.00 3.91 H new ATOM 639 N LYS A 101 22.933 7.952 10.440 1.00 3.09 N ATOM 640 CA LYS A 101 23.119 6.614 11.069 1.00 3.63 C ATOM 641 C LYS A 101 23.174 5.542 9.978 1.00 4.10 C ATOM 642 O LYS A 101 22.138 4.967 9.687 1.00 4.56 O ATOM 643 CB LYS A 101 21.946 6.326 12.008 1.00 3.99 C ATOM 644 CG LYS A 101 22.388 5.337 13.089 1.00 4.58 C ATOM 645 CD LYS A 101 21.251 5.136 14.093 1.00 5.25 C ATOM 646 CE LYS A 101 21.735 5.508 15.495 1.00 6.09 C ATOM 647 NZ LYS A 101 20.643 5.265 16.479 1.00 6.53 N ATOM 648 OXT LYS A 101 24.251 5.314 9.453 1.00 4.44 O ATOM 0 H LYS A 101 23.766 8.540 10.414 1.00 3.09 H new ATOM 0 HA LYS A 101 24.050 6.604 11.636 1.00 3.63 H new ATOM 0 HB2 LYS A 101 21.598 7.251 12.467 1.00 3.99 H new ATOM 0 HB3 LYS A 101 21.108 5.915 11.445 1.00 3.99 H new ATOM 0 HG2 LYS A 101 22.660 4.384 12.636 1.00 4.58 H new ATOM 0 HG3 LYS A 101 23.275 5.712 13.599 1.00 4.58 H new ATOM 0 HD2 LYS A 101 20.395 5.752 13.817 1.00 5.25 H new ATOM 0 HD3 LYS A 101 20.916 4.099 14.076 1.00 5.25 H new ATOM 0 HE2 LYS A 101 22.613 4.917 15.757 1.00 6.09 H new ATOM 0 HE3 LYS A 101 22.036 6.555 15.521 1.00 6.09 H new ATOM 0 HZ1 LYS A 101 20.972 5.518 17.433 1.00 6.53 H new ATOM 0 HZ2 LYS A 101 19.817 5.847 16.232 1.00 6.53 H new ATOM 0 HZ3 LYS A 101 20.376 4.260 16.460 1.00 6.53 H new TER 662 LYS A 101 ATOM 663 N VAL B 62 -24.452 -19.603 0.176 1.00 19.64 N ATOM 664 CA VAL B 62 -24.429 -20.703 -0.827 1.00 19.45 C ATOM 665 C VAL B 62 -24.570 -20.114 -2.232 1.00 18.79 C ATOM 666 O VAL B 62 -24.008 -20.616 -3.186 1.00 19.02 O ATOM 667 CB VAL B 62 -25.590 -21.663 -0.556 1.00 19.77 C ATOM 668 CG1 VAL B 62 -26.910 -20.991 -0.941 1.00 20.22 C ATOM 669 CG2 VAL B 62 -25.406 -22.934 -1.388 1.00 19.99 C ATOM 0 HA VAL B 62 -23.486 -21.244 -0.753 1.00 19.45 H new ATOM 0 HB VAL B 62 -25.608 -21.920 0.503 1.00 19.77 H new ATOM 0 HG11 VAL B 62 -27.736 -21.675 -0.748 1.00 20.22 H new ATOM 0 HG12 VAL B 62 -27.043 -20.085 -0.350 1.00 20.22 H new ATOM 0 HG13 VAL B 62 -26.892 -20.734 -2.000 1.00 20.22 H new ATOM 0 HG21 VAL B 62 -26.233 -23.618 -1.195 1.00 19.99 H new ATOM 0 HG22 VAL B 62 -25.388 -22.676 -2.447 1.00 19.99 H new ATOM 0 HG23 VAL B 62 -24.466 -23.415 -1.115 1.00 19.99 H new ATOM 681 N GLN B 63 -25.318 -19.054 -2.368 1.00 18.10 N ATOM 682 CA GLN B 63 -25.497 -18.432 -3.710 1.00 17.56 C ATOM 683 C GLN B 63 -24.908 -17.020 -3.696 1.00 16.86 C ATOM 684 O GLN B 63 -25.276 -16.174 -4.485 1.00 16.59 O ATOM 685 CB GLN B 63 -26.992 -18.364 -4.040 1.00 17.30 C ATOM 686 CG GLN B 63 -27.206 -17.710 -5.412 1.00 17.01 C ATOM 687 CD GLN B 63 -26.152 -18.211 -6.404 1.00 16.75 C ATOM 688 OE1 GLN B 63 -26.324 -19.242 -7.023 1.00 17.03 O ATOM 689 NE2 GLN B 63 -25.060 -17.518 -6.582 1.00 16.36 N ATOM 0 H GLN B 63 -25.814 -18.591 -1.606 1.00 18.10 H new ATOM 0 HA GLN B 63 -24.986 -19.029 -4.465 1.00 17.56 H new ATOM 0 HB2 GLN B 63 -27.418 -19.367 -4.038 1.00 17.30 H new ATOM 0 HB3 GLN B 63 -27.515 -17.794 -3.272 1.00 17.30 H new ATOM 0 HG2 GLN B 63 -28.205 -17.942 -5.782 1.00 17.01 H new ATOM 0 HG3 GLN B 63 -27.144 -16.626 -5.320 1.00 17.01 H new ATOM 0 HE21 GLN B 63 -24.915 -16.652 -6.063 1.00 16.36 H new ATOM 0 HE22 GLN B 63 -24.352 -17.842 -7.241 1.00 16.36 H new ATOM 698 N LEU B 64 -23.992 -16.763 -2.804 1.00 16.69 N ATOM 699 CA LEU B 64 -23.373 -15.408 -2.733 1.00 16.15 C ATOM 700 C LEU B 64 -23.085 -14.905 -4.149 1.00 15.61 C ATOM 701 O LEU B 64 -22.751 -15.671 -5.031 1.00 15.57 O ATOM 702 CB LEU B 64 -22.062 -15.488 -1.949 1.00 16.73 C ATOM 703 CG LEU B 64 -22.329 -15.195 -0.471 1.00 16.88 C ATOM 704 CD1 LEU B 64 -21.109 -15.598 0.359 1.00 17.47 C ATOM 705 CD2 LEU B 64 -22.598 -13.699 -0.288 1.00 17.27 C ATOM 0 H LEU B 64 -23.644 -17.434 -2.119 1.00 16.69 H new ATOM 0 HA LEU B 64 -24.057 -14.722 -2.233 1.00 16.15 H new ATOM 0 HB2 LEU B 64 -21.620 -16.478 -2.060 1.00 16.73 H new ATOM 0 HB3 LEU B 64 -21.344 -14.772 -2.348 1.00 16.73 H new ATOM 0 HG LEU B 64 -23.197 -15.764 -0.140 1.00 16.88 H new ATOM 0 HD11 LEU B 64 -21.300 -15.389 1.412 1.00 17.47 H new ATOM 0 HD12 LEU B 64 -20.917 -16.663 0.230 1.00 17.47 H new ATOM 0 HD13 LEU B 64 -20.240 -15.029 0.028 1.00 17.47 H new ATOM 0 HD21 LEU B 64 -22.788 -13.490 0.765 1.00 17.27 H new ATOM 0 HD22 LEU B 64 -21.730 -13.130 -0.620 1.00 17.27 H new ATOM 0 HD23 LEU B 64 -23.468 -13.411 -0.878 1.00 17.27 H new ATOM 717 N ALA B 65 -23.210 -13.625 -4.378 1.00 15.34 N ATOM 718 CA ALA B 65 -22.942 -13.090 -5.739 1.00 14.99 C ATOM 719 C ALA B 65 -21.736 -12.146 -5.693 1.00 14.10 C ATOM 720 O ALA B 65 -21.730 -11.171 -4.968 1.00 13.96 O ATOM 721 CB ALA B 65 -24.170 -12.325 -6.238 1.00 15.58 C ATOM 0 H ALA B 65 -23.485 -12.931 -3.683 1.00 15.34 H new ATOM 0 HA ALA B 65 -22.728 -13.917 -6.416 1.00 14.99 H new ATOM 0 HB1 ALA B 65 -23.974 -11.933 -7.236 1.00 15.58 H new ATOM 0 HB2 ALA B 65 -25.027 -12.997 -6.275 1.00 15.58 H new ATOM 0 HB3 ALA B 65 -24.385 -11.499 -5.559 1.00 15.58 H new ATOM 727 N HIS B 66 -20.716 -12.423 -6.461 1.00 13.65 N ATOM 728 CA HIS B 66 -19.518 -11.537 -6.456 1.00 12.91 C ATOM 729 C HIS B 66 -18.560 -11.970 -7.569 1.00 12.30 C ATOM 730 O HIS B 66 -18.610 -13.087 -8.045 1.00 12.38 O ATOM 731 CB HIS B 66 -18.810 -11.641 -5.104 1.00 12.96 C ATOM 732 CG HIS B 66 -18.830 -13.071 -4.638 1.00 13.34 C ATOM 733 ND1 HIS B 66 -18.842 -14.137 -5.523 1.00 13.54 N ATOM 734 CD2 HIS B 66 -18.841 -13.626 -3.382 1.00 13.74 C ATOM 735 CE1 HIS B 66 -18.860 -15.268 -4.796 1.00 14.03 C ATOM 736 NE2 HIS B 66 -18.860 -15.014 -3.484 1.00 14.18 N ATOM 0 H HIS B 66 -20.662 -13.224 -7.091 1.00 13.65 H new ATOM 0 HA HIS B 66 -19.828 -10.506 -6.623 1.00 12.91 H new ATOM 0 HB2 HIS B 66 -17.782 -11.290 -5.192 1.00 12.96 H new ATOM 0 HB3 HIS B 66 -19.304 -11.002 -4.372 1.00 12.96 H new ATOM 0 HD1 HIS B 66 -18.838 -14.075 -6.541 1.00 13.54 H new ATOM 0 HD2 HIS B 66 -18.836 -13.070 -2.456 1.00 13.74 H new ATOM 0 HE1 HIS B 66 -18.873 -16.261 -5.221 1.00 14.03 H new ATOM 744 N HIS B 67 -17.689 -11.094 -7.988 1.00 11.87 N ATOM 745 CA HIS B 67 -16.730 -11.457 -9.070 1.00 11.46 C ATOM 746 C HIS B 67 -15.855 -12.624 -8.608 1.00 10.55 C ATOM 747 O HIS B 67 -15.874 -13.692 -9.186 1.00 10.53 O ATOM 748 CB HIS B 67 -15.844 -10.252 -9.391 1.00 11.84 C ATOM 749 CG HIS B 67 -16.535 -9.376 -10.397 1.00 12.35 C ATOM 750 ND1 HIS B 67 -16.844 -9.818 -11.675 1.00 12.68 N ATOM 751 CD2 HIS B 67 -16.987 -8.081 -10.329 1.00 12.80 C ATOM 752 CE1 HIS B 67 -17.454 -8.805 -12.317 1.00 13.29 C ATOM 753 NE2 HIS B 67 -17.566 -7.722 -11.543 1.00 13.39 N ATOM 0 H HIS B 67 -17.600 -10.144 -7.629 1.00 11.87 H new ATOM 0 HA HIS B 67 -17.284 -11.750 -9.962 1.00 11.46 H new ATOM 0 HB2 HIS B 67 -15.637 -9.687 -8.482 1.00 11.84 H new ATOM 0 HB3 HIS B 67 -14.884 -10.587 -9.783 1.00 11.84 H new ATOM 0 HD2 HIS B 67 -16.906 -7.439 -9.465 1.00 12.80 H new ATOM 0 HE1 HIS B 67 -17.810 -8.861 -13.335 1.00 13.29 H new ATOM 0 HE2 HIS B 67 -17.985 -6.825 -11.789 1.00 13.39 H new ATOM 761 N PHE B 68 -15.086 -12.428 -7.572 1.00 10.00 N ATOM 762 CA PHE B 68 -14.209 -13.527 -7.078 1.00 9.29 C ATOM 763 C PHE B 68 -15.026 -14.482 -6.204 1.00 8.27 C ATOM 764 O PHE B 68 -16.240 -14.455 -6.209 1.00 8.29 O ATOM 765 CB PHE B 68 -13.064 -12.934 -6.254 1.00 9.52 C ATOM 766 CG PHE B 68 -12.557 -11.682 -6.926 1.00 10.43 C ATOM 767 CD1 PHE B 68 -11.904 -11.766 -8.161 1.00 11.07 C ATOM 768 CD2 PHE B 68 -12.739 -10.435 -6.314 1.00 10.86 C ATOM 769 CE1 PHE B 68 -11.433 -10.604 -8.785 1.00 12.06 C ATOM 770 CE2 PHE B 68 -12.267 -9.273 -6.938 1.00 11.86 C ATOM 771 CZ PHE B 68 -11.615 -9.358 -8.173 1.00 12.43 C ATOM 0 H PHE B 68 -15.027 -11.556 -7.047 1.00 10.00 H new ATOM 0 HA PHE B 68 -13.801 -14.074 -7.928 1.00 9.29 H new ATOM 0 HB2 PHE B 68 -13.408 -12.704 -5.246 1.00 9.52 H new ATOM 0 HB3 PHE B 68 -12.257 -13.660 -6.158 1.00 9.52 H new ATOM 0 HD1 PHE B 68 -11.763 -12.727 -8.633 1.00 11.07 H new ATOM 0 HD2 PHE B 68 -13.243 -10.370 -5.361 1.00 10.86 H new ATOM 0 HE1 PHE B 68 -10.929 -10.669 -9.738 1.00 12.06 H new ATOM 0 HE2 PHE B 68 -12.406 -8.312 -6.466 1.00 11.86 H new ATOM 0 HZ PHE B 68 -11.252 -8.462 -8.654 1.00 12.43 H new ATOM 781 N SER B 69 -14.370 -15.327 -5.457 1.00 7.61 N ATOM 782 CA SER B 69 -15.111 -16.282 -4.587 1.00 6.80 C ATOM 783 C SER B 69 -14.343 -16.491 -3.280 1.00 5.60 C ATOM 784 O SER B 69 -14.604 -17.417 -2.538 1.00 5.39 O ATOM 785 CB SER B 69 -15.259 -17.621 -5.312 1.00 7.36 C ATOM 786 OG SER B 69 -14.552 -17.569 -6.545 1.00 8.12 O ATOM 0 H SER B 69 -13.353 -15.397 -5.412 1.00 7.61 H new ATOM 0 HA SER B 69 -16.098 -15.877 -4.364 1.00 6.80 H new ATOM 0 HB2 SER B 69 -14.871 -18.429 -4.691 1.00 7.36 H new ATOM 0 HB3 SER B 69 -16.312 -17.835 -5.492 1.00 7.36 H new ATOM 0 HG SER B 69 -14.644 -18.426 -7.011 1.00 8.12 H new ATOM 792 N GLU B 70 -13.399 -15.638 -2.990 1.00 5.12 N ATOM 793 CA GLU B 70 -12.620 -15.793 -1.728 1.00 4.22 C ATOM 794 C GLU B 70 -13.346 -15.066 -0.590 1.00 3.04 C ATOM 795 O GLU B 70 -14.078 -14.126 -0.827 1.00 3.18 O ATOM 796 CB GLU B 70 -11.224 -15.193 -1.910 1.00 4.88 C ATOM 797 CG GLU B 70 -10.437 -16.031 -2.920 1.00 5.77 C ATOM 798 CD GLU B 70 -9.050 -15.417 -3.124 1.00 6.71 C ATOM 799 OE1 GLU B 70 -8.965 -14.411 -3.810 1.00 7.09 O ATOM 800 OE2 GLU B 70 -8.098 -15.963 -2.594 1.00 7.29 O ATOM 0 H GLU B 70 -13.134 -14.842 -3.570 1.00 5.12 H new ATOM 0 HA GLU B 70 -12.529 -16.852 -1.485 1.00 4.22 H new ATOM 0 HB2 GLU B 70 -11.302 -14.163 -2.258 1.00 4.88 H new ATOM 0 HB3 GLU B 70 -10.700 -15.168 -0.955 1.00 4.88 H new ATOM 0 HG2 GLU B 70 -10.343 -17.056 -2.563 1.00 5.77 H new ATOM 0 HG3 GLU B 70 -10.971 -16.072 -3.869 1.00 5.77 H new ATOM 807 N PRO B 71 -13.118 -15.526 0.614 1.00 2.28 N ATOM 808 CA PRO B 71 -13.743 -14.935 1.811 1.00 1.48 C ATOM 809 C PRO B 71 -13.413 -13.444 1.906 1.00 1.33 C ATOM 810 O PRO B 71 -12.383 -12.991 1.445 1.00 1.29 O ATOM 811 CB PRO B 71 -13.136 -15.708 2.991 1.00 2.00 C ATOM 812 CG PRO B 71 -12.236 -16.826 2.408 1.00 2.71 C ATOM 813 CD PRO B 71 -12.224 -16.667 0.879 1.00 2.87 C ATOM 0 HA PRO B 71 -14.830 -15.009 1.792 1.00 1.48 H new ATOM 0 HB2 PRO B 71 -12.554 -15.041 3.626 1.00 2.00 H new ATOM 0 HB3 PRO B 71 -13.922 -16.135 3.613 1.00 2.00 H new ATOM 0 HG2 PRO B 71 -11.225 -16.751 2.808 1.00 2.71 H new ATOM 0 HG3 PRO B 71 -12.617 -17.808 2.687 1.00 2.71 H new ATOM 0 HD2 PRO B 71 -11.217 -16.475 0.509 1.00 2.87 H new ATOM 0 HD3 PRO B 71 -12.579 -17.571 0.384 1.00 2.87 H new ATOM 821 N GLU B 72 -14.286 -12.675 2.499 1.00 1.30 N ATOM 822 CA GLU B 72 -14.036 -11.211 2.623 1.00 1.19 C ATOM 823 C GLU B 72 -12.661 -10.967 3.250 1.00 1.06 C ATOM 824 O GLU B 72 -11.750 -10.488 2.604 1.00 1.01 O ATOM 825 CB GLU B 72 -15.114 -10.584 3.509 1.00 1.29 C ATOM 826 CG GLU B 72 -16.390 -10.374 2.691 1.00 1.90 C ATOM 827 CD GLU B 72 -17.477 -9.775 3.586 1.00 2.25 C ATOM 828 OE1 GLU B 72 -17.130 -9.232 4.622 1.00 2.52 O ATOM 829 OE2 GLU B 72 -18.637 -9.871 3.220 1.00 2.89 O ATOM 0 H GLU B 72 -15.164 -12.999 2.904 1.00 1.30 H new ATOM 0 HA GLU B 72 -14.064 -10.759 1.632 1.00 1.19 H new ATOM 0 HB2 GLU B 72 -15.319 -11.230 4.363 1.00 1.29 H new ATOM 0 HB3 GLU B 72 -14.764 -9.632 3.907 1.00 1.29 H new ATOM 0 HG2 GLU B 72 -16.190 -9.710 1.850 1.00 1.90 H new ATOM 0 HG3 GLU B 72 -16.728 -11.323 2.275 1.00 1.90 H new ATOM 836 N ILE B 73 -12.504 -11.284 4.508 1.00 1.07 N ATOM 837 CA ILE B 73 -11.195 -11.062 5.174 1.00 0.98 C ATOM 838 C ILE B 73 -10.060 -11.524 4.256 1.00 0.89 C ATOM 839 O ILE B 73 -9.058 -10.854 4.111 1.00 0.82 O ATOM 840 CB ILE B 73 -11.156 -11.841 6.490 1.00 1.09 C ATOM 841 CG1 ILE B 73 -10.028 -11.294 7.358 1.00 1.29 C ATOM 842 CG2 ILE B 73 -10.912 -13.326 6.211 1.00 1.27 C ATOM 843 CD1 ILE B 73 -10.484 -9.997 8.029 1.00 2.11 C ATOM 0 H ILE B 73 -13.229 -11.688 5.101 1.00 1.07 H new ATOM 0 HA ILE B 73 -11.068 -9.999 5.382 1.00 0.98 H new ATOM 0 HB ILE B 73 -12.109 -11.729 7.006 1.00 1.09 H new ATOM 0 HG12 ILE B 73 -9.748 -12.028 8.114 1.00 1.29 H new ATOM 0 HG13 ILE B 73 -9.143 -11.109 6.749 1.00 1.29 H new ATOM 0 HG21 ILE B 73 -10.886 -13.874 7.153 1.00 1.27 H new ATOM 0 HG22 ILE B 73 -11.716 -13.716 5.587 1.00 1.27 H new ATOM 0 HG23 ILE B 73 -9.960 -13.447 5.694 1.00 1.27 H new ATOM 0 HD11 ILE B 73 -9.678 -9.606 8.650 1.00 2.11 H new ATOM 0 HD12 ILE B 73 -10.743 -9.264 7.265 1.00 2.11 H new ATOM 0 HD13 ILE B 73 -11.357 -10.196 8.651 1.00 2.11 H new ATOM 855 N THR B 74 -10.206 -12.659 3.630 1.00 0.92 N ATOM 856 CA THR B 74 -9.131 -13.146 2.721 1.00 0.87 C ATOM 857 C THR B 74 -8.835 -12.067 1.677 1.00 0.77 C ATOM 858 O THR B 74 -7.695 -11.733 1.418 1.00 0.69 O ATOM 859 CB THR B 74 -9.591 -14.430 2.024 1.00 0.99 C ATOM 860 OG1 THR B 74 -9.546 -15.507 2.951 1.00 1.57 O ATOM 861 CG2 THR B 74 -8.672 -14.736 0.841 1.00 1.43 C ATOM 0 H THR B 74 -11.020 -13.268 3.708 1.00 0.92 H new ATOM 0 HA THR B 74 -8.229 -13.357 3.295 1.00 0.87 H new ATOM 0 HB THR B 74 -10.610 -14.300 1.660 1.00 0.99 H new ATOM 0 HG1 THR B 74 -10.137 -15.312 3.708 1.00 1.57 H new ATOM 0 HG21 THR B 74 -9.004 -15.650 0.349 1.00 1.43 H new ATOM 0 HG22 THR B 74 -8.705 -13.910 0.131 1.00 1.43 H new ATOM 0 HG23 THR B 74 -7.650 -14.867 1.198 1.00 1.43 H new ATOM 869 N LEU B 75 -9.855 -11.514 1.079 1.00 0.81 N ATOM 870 CA LEU B 75 -9.635 -10.449 0.057 1.00 0.74 C ATOM 871 C LEU B 75 -9.050 -9.211 0.732 1.00 0.62 C ATOM 872 O LEU B 75 -8.098 -8.629 0.252 1.00 0.52 O ATOM 873 CB LEU B 75 -10.960 -10.084 -0.620 1.00 0.87 C ATOM 874 CG LEU B 75 -10.703 -9.728 -2.087 1.00 1.11 C ATOM 875 CD1 LEU B 75 -11.947 -9.061 -2.677 1.00 1.02 C ATOM 876 CD2 LEU B 75 -9.519 -8.764 -2.180 1.00 1.63 C ATOM 0 H LEU B 75 -10.831 -11.753 1.253 1.00 0.81 H new ATOM 0 HA LEU B 75 -8.942 -10.819 -0.698 1.00 0.74 H new ATOM 0 HB2 LEU B 75 -11.657 -10.920 -0.554 1.00 0.87 H new ATOM 0 HB3 LEU B 75 -11.423 -9.242 -0.106 1.00 0.87 H new ATOM 0 HG LEU B 75 -10.477 -10.637 -2.645 1.00 1.11 H new ATOM 0 HD11 LEU B 75 -11.763 -8.808 -3.721 1.00 1.02 H new ATOM 0 HD12 LEU B 75 -12.792 -9.746 -2.613 1.00 1.02 H new ATOM 0 HD13 LEU B 75 -12.173 -8.153 -2.118 1.00 1.02 H new ATOM 0 HD21 LEU B 75 -9.337 -8.511 -3.225 1.00 1.63 H new ATOM 0 HD22 LEU B 75 -9.744 -7.856 -1.621 1.00 1.63 H new ATOM 0 HD23 LEU B 75 -8.631 -9.237 -1.761 1.00 1.63 H new ATOM 888 N ILE B 76 -9.607 -8.794 1.836 1.00 0.66 N ATOM 889 CA ILE B 76 -9.060 -7.588 2.513 1.00 0.59 C ATOM 890 C ILE B 76 -7.581 -7.823 2.811 1.00 0.48 C ATOM 891 O ILE B 76 -6.739 -6.995 2.520 1.00 0.39 O ATOM 892 CB ILE B 76 -9.809 -7.357 3.827 1.00 0.70 C ATOM 893 CG1 ILE B 76 -11.307 -7.215 3.545 1.00 0.89 C ATOM 894 CG2 ILE B 76 -9.295 -6.079 4.495 1.00 0.73 C ATOM 895 CD1 ILE B 76 -12.086 -7.374 4.851 1.00 1.02 C ATOM 0 H ILE B 76 -10.407 -9.231 2.293 1.00 0.66 H new ATOM 0 HA ILE B 76 -9.179 -6.715 1.871 1.00 0.59 H new ATOM 0 HB ILE B 76 -9.642 -8.206 4.490 1.00 0.70 H new ATOM 0 HG12 ILE B 76 -11.514 -6.241 3.101 1.00 0.89 H new ATOM 0 HG13 ILE B 76 -11.626 -7.968 2.824 1.00 0.89 H new ATOM 0 HG21 ILE B 76 -9.830 -5.917 5.431 1.00 0.73 H new ATOM 0 HG22 ILE B 76 -8.229 -6.179 4.699 1.00 0.73 H new ATOM 0 HG23 ILE B 76 -9.459 -5.230 3.831 1.00 0.73 H new ATOM 0 HD11 ILE B 76 -13.153 -7.273 4.653 1.00 1.02 H new ATOM 0 HD12 ILE B 76 -11.887 -8.358 5.276 1.00 1.02 H new ATOM 0 HD13 ILE B 76 -11.774 -6.604 5.557 1.00 1.02 H new ATOM 907 N ILE B 77 -7.252 -8.957 3.364 1.00 0.51 N ATOM 908 CA ILE B 77 -5.823 -9.252 3.648 1.00 0.45 C ATOM 909 C ILE B 77 -5.037 -9.166 2.340 1.00 0.35 C ATOM 910 O ILE B 77 -3.994 -8.546 2.263 1.00 0.30 O ATOM 911 CB ILE B 77 -5.697 -10.662 4.226 1.00 0.52 C ATOM 912 CG1 ILE B 77 -6.378 -10.717 5.595 1.00 1.19 C ATOM 913 CG2 ILE B 77 -4.218 -11.021 4.378 1.00 1.41 C ATOM 914 CD1 ILE B 77 -5.583 -9.879 6.596 1.00 1.86 C ATOM 0 H ILE B 77 -7.910 -9.690 3.630 1.00 0.51 H new ATOM 0 HA ILE B 77 -5.431 -8.534 4.368 1.00 0.45 H new ATOM 0 HB ILE B 77 -6.177 -11.373 3.553 1.00 0.52 H new ATOM 0 HG12 ILE B 77 -7.399 -10.342 5.520 1.00 1.19 H new ATOM 0 HG13 ILE B 77 -6.442 -11.749 5.939 1.00 1.19 H new ATOM 0 HG21 ILE B 77 -4.128 -12.026 4.790 1.00 1.41 H new ATOM 0 HG22 ILE B 77 -3.732 -10.984 3.403 1.00 1.41 H new ATOM 0 HG23 ILE B 77 -3.738 -10.309 5.050 1.00 1.41 H new ATOM 0 HD11 ILE B 77 -6.069 -9.919 7.571 1.00 1.86 H new ATOM 0 HD12 ILE B 77 -4.571 -10.275 6.679 1.00 1.86 H new ATOM 0 HD13 ILE B 77 -5.542 -8.845 6.253 1.00 1.86 H new ATOM 926 N PHE B 78 -5.542 -9.787 1.307 1.00 0.37 N ATOM 927 CA PHE B 78 -4.843 -9.751 -0.009 1.00 0.34 C ATOM 928 C PHE B 78 -4.659 -8.301 -0.453 1.00 0.29 C ATOM 929 O PHE B 78 -3.593 -7.906 -0.883 1.00 0.27 O ATOM 930 CB PHE B 78 -5.674 -10.497 -1.058 1.00 0.44 C ATOM 931 CG PHE B 78 -5.411 -11.980 -0.952 1.00 1.05 C ATOM 932 CD1 PHE B 78 -5.100 -12.550 0.289 1.00 1.80 C ATOM 933 CD2 PHE B 78 -5.477 -12.786 -2.095 1.00 1.97 C ATOM 934 CE1 PHE B 78 -4.857 -13.925 0.387 1.00 2.57 C ATOM 935 CE2 PHE B 78 -5.235 -14.161 -1.997 1.00 2.71 C ATOM 936 CZ PHE B 78 -4.924 -14.731 -0.756 1.00 2.81 C ATOM 0 H PHE B 78 -6.412 -10.319 1.319 1.00 0.37 H new ATOM 0 HA PHE B 78 -3.869 -10.230 0.092 1.00 0.34 H new ATOM 0 HB2 PHE B 78 -6.734 -10.294 -0.908 1.00 0.44 H new ATOM 0 HB3 PHE B 78 -5.420 -10.143 -2.057 1.00 0.44 H new ATOM 0 HD1 PHE B 78 -5.048 -11.928 1.171 1.00 1.80 H new ATOM 0 HD2 PHE B 78 -5.715 -12.347 -3.052 1.00 1.97 H new ATOM 0 HE1 PHE B 78 -4.618 -14.364 1.344 1.00 2.57 H new ATOM 0 HE2 PHE B 78 -5.288 -14.783 -2.879 1.00 2.71 H new ATOM 0 HZ PHE B 78 -4.736 -15.792 -0.681 1.00 2.81 H new ATOM 946 N GLY B 79 -5.691 -7.507 -0.372 1.00 0.30 N ATOM 947 CA GLY B 79 -5.565 -6.089 -0.810 1.00 0.28 C ATOM 948 C GLY B 79 -4.441 -5.402 -0.034 1.00 0.22 C ATOM 949 O GLY B 79 -3.599 -4.740 -0.610 1.00 0.23 O ATOM 0 H GLY B 79 -6.611 -7.777 -0.024 1.00 0.30 H new ATOM 0 HA2 GLY B 79 -5.359 -6.047 -1.879 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.506 -5.564 -0.646 1.00 0.28 H new ATOM 953 N VAL B 80 -4.406 -5.551 1.263 1.00 0.22 N ATOM 954 CA VAL B 80 -3.317 -4.898 2.039 1.00 0.23 C ATOM 955 C VAL B 80 -1.968 -5.385 1.506 1.00 0.22 C ATOM 956 O VAL B 80 -1.076 -4.605 1.221 1.00 0.23 O ATOM 957 CB VAL B 80 -3.459 -5.262 3.517 1.00 0.27 C ATOM 958 CG1 VAL B 80 -2.416 -4.499 4.334 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.864 -4.880 3.997 1.00 0.30 C ATOM 0 H VAL B 80 -5.076 -6.090 1.812 1.00 0.22 H new ATOM 0 HA VAL B 80 -3.379 -3.815 1.933 1.00 0.23 H new ATOM 0 HB VAL B 80 -3.305 -6.333 3.647 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -2.518 -4.759 5.388 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -1.417 -4.766 3.989 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -2.568 -3.427 4.208 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.971 -5.137 5.051 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -5.014 -3.808 3.868 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.608 -5.423 3.414 1.00 0.30 H new ATOM 969 N MET B 81 -1.823 -6.673 1.343 1.00 0.22 N ATOM 970 CA MET B 81 -0.550 -7.221 0.801 1.00 0.23 C ATOM 971 C MET B 81 -0.279 -6.598 -0.569 1.00 0.24 C ATOM 972 O MET B 81 0.815 -6.155 -0.861 1.00 0.25 O ATOM 973 CB MET B 81 -0.667 -8.739 0.663 1.00 0.26 C ATOM 974 CG MET B 81 -0.613 -9.383 2.050 1.00 0.32 C ATOM 975 SD MET B 81 0.293 -10.946 1.954 1.00 1.15 S ATOM 976 CE MET B 81 1.292 -10.720 3.446 1.00 1.83 C ATOM 0 H MET B 81 -2.535 -7.370 1.563 1.00 0.22 H new ATOM 0 HA MET B 81 0.271 -6.985 1.478 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.602 -8.999 0.166 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.142 -9.122 0.041 1.00 0.26 H new ATOM 0 HG2 MET B 81 -0.126 -8.711 2.756 1.00 0.32 H new ATOM 0 HG3 MET B 81 -1.623 -9.558 2.421 1.00 0.32 H new ATOM 0 HE1 MET B 81 1.940 -11.585 3.584 1.00 1.83 H new ATOM 0 HE2 MET B 81 1.902 -9.823 3.343 1.00 1.83 H new ATOM 0 HE3 MET B 81 0.636 -10.616 4.311 1.00 1.83 H new ATOM 986 N ALA B 82 -1.276 -6.575 -1.412 1.00 0.25 N ATOM 987 CA ALA B 82 -1.101 -5.997 -2.772 1.00 0.27 C ATOM 988 C ALA B 82 -0.621 -4.546 -2.668 1.00 0.26 C ATOM 989 O ALA B 82 0.298 -4.145 -3.354 1.00 0.27 O ATOM 990 CB ALA B 82 -2.424 -6.070 -3.549 1.00 0.31 C ATOM 0 H ALA B 82 -2.210 -6.935 -1.214 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.349 -6.575 -3.310 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.286 -5.645 -4.543 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -2.736 -7.111 -3.640 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.190 -5.507 -3.016 1.00 0.31 H new ATOM 996 N GLY B 83 -1.225 -3.744 -1.825 1.00 0.25 N ATOM 997 CA GLY B 83 -0.773 -2.332 -1.718 1.00 0.26 C ATOM 998 C GLY B 83 0.713 -2.309 -1.366 1.00 0.24 C ATOM 999 O GLY B 83 1.494 -1.608 -1.978 1.00 0.24 O ATOM 0 H GLY B 83 -2.000 -4.006 -1.216 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -0.945 -1.810 -2.659 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.349 -1.810 -0.954 1.00 0.26 H new ATOM 1003 N VAL B 84 1.117 -3.082 -0.393 1.00 0.22 N ATOM 1004 CA VAL B 84 2.561 -3.102 -0.027 1.00 0.21 C ATOM 1005 C VAL B 84 3.392 -3.490 -1.256 1.00 0.21 C ATOM 1006 O VAL B 84 4.380 -2.859 -1.574 1.00 0.21 O ATOM 1007 CB VAL B 84 2.792 -4.122 1.088 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.249 -4.049 1.552 1.00 0.28 C ATOM 1009 CG2 VAL B 84 1.868 -3.808 2.266 1.00 0.31 C ATOM 0 H VAL B 84 0.516 -3.694 0.159 1.00 0.22 H new ATOM 0 HA VAL B 84 2.862 -2.113 0.319 1.00 0.21 H new ATOM 0 HB VAL B 84 2.578 -5.123 0.714 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.415 -4.776 2.347 1.00 0.28 H new ATOM 0 HG12 VAL B 84 4.909 -4.271 0.714 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.462 -3.048 1.926 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.032 -4.535 3.061 1.00 0.31 H new ATOM 0 HG22 VAL B 84 2.082 -2.807 2.640 1.00 0.31 H new ATOM 0 HG23 VAL B 84 0.830 -3.858 1.938 1.00 0.31 H new ATOM 1019 N ILE B 85 2.995 -4.526 -1.951 1.00 0.23 N ATOM 1020 CA ILE B 85 3.757 -4.959 -3.159 1.00 0.25 C ATOM 1021 C ILE B 85 3.847 -3.805 -4.163 1.00 0.26 C ATOM 1022 O ILE B 85 4.902 -3.515 -4.692 1.00 0.26 O ATOM 1023 CB ILE B 85 3.045 -6.144 -3.811 1.00 0.30 C ATOM 1024 CG1 ILE B 85 2.983 -7.308 -2.818 1.00 0.32 C ATOM 1025 CG2 ILE B 85 3.815 -6.581 -5.059 1.00 0.40 C ATOM 1026 CD1 ILE B 85 4.401 -7.774 -2.486 1.00 1.06 C ATOM 0 H ILE B 85 2.174 -5.091 -1.733 1.00 0.23 H new ATOM 0 HA ILE B 85 4.763 -5.253 -2.860 1.00 0.25 H new ATOM 0 HB ILE B 85 2.034 -5.850 -4.093 1.00 0.30 H new ATOM 0 HG12 ILE B 85 2.469 -6.997 -1.909 1.00 0.32 H new ATOM 0 HG13 ILE B 85 2.409 -8.131 -3.243 1.00 0.32 H new ATOM 0 HG21 ILE B 85 3.306 -7.426 -5.523 1.00 0.40 H new ATOM 0 HG22 ILE B 85 3.862 -5.753 -5.766 1.00 0.40 H new ATOM 0 HG23 ILE B 85 4.826 -6.876 -4.778 1.00 0.40 H new ATOM 0 HD11 ILE B 85 4.356 -8.602 -1.779 1.00 1.06 H new ATOM 0 HD12 ILE B 85 4.899 -8.102 -3.398 1.00 1.06 H new ATOM 0 HD13 ILE B 85 4.961 -6.950 -2.044 1.00 1.06 H new ATOM 1038 N GLY B 86 2.751 -3.149 -4.435 1.00 0.27 N ATOM 1039 CA GLY B 86 2.783 -2.022 -5.410 1.00 0.30 C ATOM 1040 C GLY B 86 3.802 -0.981 -4.949 1.00 0.27 C ATOM 1041 O GLY B 86 4.618 -0.515 -5.719 1.00 0.29 O ATOM 0 H GLY B 86 1.838 -3.344 -4.025 1.00 0.27 H new ATOM 0 HA2 GLY B 86 3.047 -2.391 -6.401 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.795 -1.569 -5.491 1.00 0.30 H new ATOM 1045 N THR B 87 3.768 -0.614 -3.698 1.00 0.24 N ATOM 1046 CA THR B 87 4.743 0.392 -3.197 1.00 0.24 C ATOM 1047 C THR B 87 6.163 -0.109 -3.463 1.00 0.24 C ATOM 1048 O THR B 87 7.005 0.616 -3.956 1.00 0.28 O ATOM 1049 CB THR B 87 4.547 0.601 -1.695 1.00 0.25 C ATOM 1050 OG1 THR B 87 3.194 0.956 -1.440 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.470 1.721 -1.213 1.00 0.28 C ATOM 0 H THR B 87 3.109 -0.966 -3.004 1.00 0.24 H new ATOM 0 HA THR B 87 4.584 1.339 -3.712 1.00 0.24 H new ATOM 0 HB THR B 87 4.787 -0.320 -1.164 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.633 0.153 -1.473 1.00 0.32 H new ATOM 0 HG21 THR B 87 5.331 1.871 -0.142 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.507 1.448 -1.410 1.00 0.28 H new ATOM 0 HG23 THR B 87 5.231 2.643 -1.743 1.00 0.28 H new ATOM 1059 N ILE B 88 6.437 -1.344 -3.142 1.00 0.23 N ATOM 1060 CA ILE B 88 7.803 -1.889 -3.379 1.00 0.29 C ATOM 1061 C ILE B 88 8.156 -1.741 -4.859 1.00 0.33 C ATOM 1062 O ILE B 88 9.227 -1.285 -5.208 1.00 0.40 O ATOM 1063 CB ILE B 88 7.837 -3.367 -2.989 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.678 -3.497 -1.472 1.00 0.34 C ATOM 1065 CG2 ILE B 88 9.174 -3.979 -3.414 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.570 -4.974 -1.093 1.00 0.41 C ATOM 0 H ILE B 88 5.774 -1.998 -2.726 1.00 0.23 H new ATOM 0 HA ILE B 88 8.526 -1.340 -2.776 1.00 0.29 H new ATOM 0 HB ILE B 88 7.023 -3.892 -3.488 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.530 -3.043 -0.967 1.00 0.34 H new ATOM 0 HG13 ILE B 88 6.788 -2.960 -1.142 1.00 0.34 H new ATOM 0 HG21 ILE B 88 9.197 -5.033 -3.135 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.290 -3.887 -4.494 1.00 0.40 H new ATOM 0 HG23 ILE B 88 9.989 -3.454 -2.916 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.457 -5.065 -0.013 1.00 0.41 H new ATOM 0 HD12 ILE B 88 6.704 -5.414 -1.587 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.472 -5.498 -1.409 1.00 0.41 H new ATOM 1078 N LEU B 89 7.263 -2.116 -5.733 1.00 0.33 N ATOM 1079 CA LEU B 89 7.547 -1.989 -7.187 1.00 0.41 C ATOM 1080 C LEU B 89 7.873 -0.522 -7.497 1.00 0.44 C ATOM 1081 O LEU B 89 8.833 -0.220 -8.177 1.00 0.51 O ATOM 1082 CB LEU B 89 6.318 -2.483 -7.985 1.00 0.44 C ATOM 1083 CG LEU B 89 5.876 -1.450 -9.029 1.00 0.76 C ATOM 1084 CD1 LEU B 89 6.991 -1.251 -10.058 1.00 1.14 C ATOM 1085 CD2 LEU B 89 4.614 -1.947 -9.737 1.00 1.06 C ATOM 0 H LEU B 89 6.349 -2.505 -5.501 1.00 0.33 H new ATOM 0 HA LEU B 89 8.403 -2.599 -7.475 1.00 0.41 H new ATOM 0 HB2 LEU B 89 6.558 -3.424 -8.481 1.00 0.44 H new ATOM 0 HB3 LEU B 89 5.495 -2.685 -7.300 1.00 0.44 H new ATOM 0 HG LEU B 89 5.666 -0.502 -8.533 1.00 0.76 H new ATOM 0 HD11 LEU B 89 6.675 -0.517 -10.799 1.00 1.14 H new ATOM 0 HD12 LEU B 89 7.891 -0.896 -9.556 1.00 1.14 H new ATOM 0 HD13 LEU B 89 7.202 -2.199 -10.553 1.00 1.14 H new ATOM 0 HD21 LEU B 89 4.300 -1.213 -10.479 1.00 1.06 H new ATOM 0 HD22 LEU B 89 4.824 -2.896 -10.231 1.00 1.06 H new ATOM 0 HD23 LEU B 89 3.818 -2.087 -9.006 1.00 1.06 H new ATOM 1097 N LEU B 90 7.078 0.391 -7.004 1.00 0.40 N ATOM 1098 CA LEU B 90 7.345 1.835 -7.273 1.00 0.47 C ATOM 1099 C LEU B 90 8.753 2.192 -6.794 1.00 0.51 C ATOM 1100 O LEU B 90 9.514 2.827 -7.498 1.00 0.60 O ATOM 1101 CB LEU B 90 6.324 2.702 -6.531 1.00 0.47 C ATOM 1102 CG LEU B 90 5.125 2.971 -7.443 1.00 1.14 C ATOM 1103 CD1 LEU B 90 4.274 1.704 -7.557 1.00 2.02 C ATOM 1104 CD2 LEU B 90 4.278 4.101 -6.854 1.00 1.67 C ATOM 0 H LEU B 90 6.258 0.200 -6.428 1.00 0.40 H new ATOM 0 HA LEU B 90 7.263 2.019 -8.344 1.00 0.47 H new ATOM 0 HB2 LEU B 90 5.997 2.199 -5.621 1.00 0.47 H new ATOM 0 HB3 LEU B 90 6.782 3.643 -6.228 1.00 0.47 H new ATOM 0 HG LEU B 90 5.481 3.260 -8.432 1.00 1.14 H new ATOM 0 HD11 LEU B 90 3.420 1.896 -8.207 1.00 2.02 H new ATOM 0 HD12 LEU B 90 4.876 0.898 -7.977 1.00 2.02 H new ATOM 0 HD13 LEU B 90 3.919 1.414 -6.568 1.00 2.02 H new ATOM 0 HD21 LEU B 90 3.424 4.292 -7.504 1.00 1.67 H new ATOM 0 HD22 LEU B 90 3.923 3.812 -5.865 1.00 1.67 H new ATOM 0 HD23 LEU B 90 4.882 5.005 -6.773 1.00 1.67 H new ATOM 1116 N ILE B 91 9.110 1.792 -5.604 1.00 0.47 N ATOM 1117 CA ILE B 91 10.472 2.116 -5.096 1.00 0.57 C ATOM 1118 C ILE B 91 11.513 1.567 -6.066 1.00 0.65 C ATOM 1119 O ILE B 91 12.440 2.255 -6.445 1.00 0.77 O ATOM 1120 CB ILE B 91 10.673 1.482 -3.718 1.00 0.55 C ATOM 1121 CG1 ILE B 91 9.665 2.078 -2.731 1.00 0.51 C ATOM 1122 CG2 ILE B 91 12.093 1.765 -3.226 1.00 0.66 C ATOM 1123 CD1 ILE B 91 9.737 1.319 -1.406 1.00 0.54 C ATOM 0 H ILE B 91 8.521 1.258 -4.965 1.00 0.47 H new ATOM 0 HA ILE B 91 10.582 3.197 -5.013 1.00 0.57 H new ATOM 0 HB ILE B 91 10.522 0.405 -3.789 1.00 0.55 H new ATOM 0 HG12 ILE B 91 9.880 3.134 -2.569 1.00 0.51 H new ATOM 0 HG13 ILE B 91 8.658 2.017 -3.143 1.00 0.51 H new ATOM 0 HG21 ILE B 91 12.235 1.313 -2.244 1.00 0.66 H new ATOM 0 HG22 ILE B 91 12.812 1.342 -3.928 1.00 0.66 H new ATOM 0 HG23 ILE B 91 12.246 2.842 -3.155 1.00 0.66 H new ATOM 0 HD11 ILE B 91 9.019 1.744 -0.704 1.00 0.54 H new ATOM 0 HD12 ILE B 91 9.501 0.268 -1.575 1.00 0.54 H new ATOM 0 HD13 ILE B 91 10.742 1.403 -0.993 1.00 0.54 H new ATOM 1135 N SER B 92 11.370 0.340 -6.483 1.00 0.63 N ATOM 1136 CA SER B 92 12.362 -0.219 -7.437 1.00 0.76 C ATOM 1137 C SER B 92 12.401 0.675 -8.675 1.00 0.83 C ATOM 1138 O SER B 92 13.454 1.068 -9.135 1.00 0.95 O ATOM 1139 CB SER B 92 11.946 -1.635 -7.840 1.00 0.74 C ATOM 1140 OG SER B 92 11.971 -2.476 -6.694 1.00 1.53 O ATOM 0 H SER B 92 10.618 -0.292 -6.208 1.00 0.63 H new ATOM 0 HA SER B 92 13.347 -0.258 -6.972 1.00 0.76 H new ATOM 0 HB2 SER B 92 10.947 -1.623 -8.275 1.00 0.74 H new ATOM 0 HB3 SER B 92 12.621 -2.021 -8.604 1.00 0.74 H new ATOM 0 HG SER B 92 11.703 -3.384 -6.948 1.00 1.53 H new ATOM 1146 N TYR B 93 11.257 1.015 -9.207 1.00 0.77 N ATOM 1147 CA TYR B 93 11.236 1.901 -10.402 1.00 0.87 C ATOM 1148 C TYR B 93 11.952 3.214 -10.073 1.00 0.94 C ATOM 1149 O TYR B 93 12.793 3.676 -10.819 1.00 1.07 O ATOM 1150 CB TYR B 93 9.788 2.190 -10.802 1.00 0.83 C ATOM 1151 CG TYR B 93 9.525 1.614 -12.172 1.00 1.09 C ATOM 1152 CD1 TYR B 93 9.862 0.283 -12.447 1.00 1.74 C ATOM 1153 CD2 TYR B 93 8.950 2.412 -13.168 1.00 1.68 C ATOM 1154 CE1 TYR B 93 9.620 -0.251 -13.718 1.00 1.99 C ATOM 1155 CE2 TYR B 93 8.708 1.878 -14.440 1.00 2.03 C ATOM 1156 CZ TYR B 93 9.043 0.546 -14.715 1.00 1.84 C ATOM 1157 OH TYR B 93 8.807 0.019 -15.969 1.00 2.25 O ATOM 0 H TYR B 93 10.342 0.718 -8.867 1.00 0.77 H new ATOM 0 HA TYR B 93 11.745 1.408 -11.230 1.00 0.87 H new ATOM 0 HB2 TYR B 93 9.104 1.754 -10.074 1.00 0.83 H new ATOM 0 HB3 TYR B 93 9.607 3.265 -10.806 1.00 0.83 H new ATOM 0 HD1 TYR B 93 10.308 -0.331 -11.679 1.00 1.74 H new ATOM 0 HD2 TYR B 93 8.693 3.439 -12.956 1.00 1.68 H new ATOM 0 HE1 TYR B 93 9.878 -1.278 -13.930 1.00 1.99 H new ATOM 0 HE2 TYR B 93 8.263 2.493 -15.208 1.00 2.03 H new ATOM 0 HH TYR B 93 8.402 0.704 -16.541 1.00 2.25 H new ATOM 1167 N GLY B 94 11.635 3.815 -8.953 1.00 0.88 N ATOM 1168 CA GLY B 94 12.313 5.088 -8.580 1.00 0.98 C ATOM 1169 C GLY B 94 13.818 4.850 -8.526 1.00 1.10 C ATOM 1170 O GLY B 94 14.599 5.598 -9.079 1.00 1.24 O ATOM 0 H GLY B 94 10.940 3.479 -8.286 1.00 0.88 H new ATOM 0 HA2 GLY B 94 12.080 5.866 -9.307 1.00 0.98 H new ATOM 0 HA3 GLY B 94 11.952 5.438 -7.613 1.00 0.98 H new ATOM 1174 N ILE B 95 14.231 3.796 -7.875 1.00 1.07 N ATOM 1175 CA ILE B 95 15.691 3.495 -7.803 1.00 1.22 C ATOM 1176 C ILE B 95 16.227 3.372 -9.234 1.00 1.34 C ATOM 1177 O ILE B 95 17.247 3.936 -9.579 1.00 1.50 O ATOM 1178 CB ILE B 95 15.924 2.188 -7.017 1.00 1.20 C ATOM 1179 CG1 ILE B 95 16.069 2.509 -5.524 1.00 1.37 C ATOM 1180 CG2 ILE B 95 17.205 1.496 -7.497 1.00 1.50 C ATOM 1181 CD1 ILE B 95 17.349 3.317 -5.299 1.00 1.81 C ATOM 0 H ILE B 95 13.625 3.133 -7.392 1.00 1.07 H new ATOM 0 HA ILE B 95 16.217 4.295 -7.282 1.00 1.22 H new ATOM 0 HB ILE B 95 15.073 1.527 -7.182 1.00 1.20 H new ATOM 0 HG12 ILE B 95 15.204 3.074 -5.177 1.00 1.37 H new ATOM 0 HG13 ILE B 95 16.102 1.587 -4.944 1.00 1.37 H new ATOM 0 HG21 ILE B 95 17.355 0.576 -6.932 1.00 1.50 H new ATOM 0 HG22 ILE B 95 17.116 1.261 -8.558 1.00 1.50 H new ATOM 0 HG23 ILE B 95 18.056 2.159 -7.343 1.00 1.50 H new ATOM 0 HD11 ILE B 95 17.453 3.546 -4.238 1.00 1.81 H new ATOM 0 HD12 ILE B 95 18.209 2.736 -5.631 1.00 1.81 H new ATOM 0 HD13 ILE B 95 17.298 4.246 -5.867 1.00 1.81 H new ATOM 1193 N ARG B 96 15.538 2.639 -10.067 1.00 1.29 N ATOM 1194 CA ARG B 96 15.994 2.475 -11.477 1.00 1.42 C ATOM 1195 C ARG B 96 16.122 3.853 -12.129 1.00 1.52 C ATOM 1196 O ARG B 96 17.099 4.159 -12.780 1.00 1.68 O ATOM 1197 CB ARG B 96 14.976 1.634 -12.252 1.00 1.36 C ATOM 1198 CG ARG B 96 15.441 1.476 -13.701 1.00 1.61 C ATOM 1199 CD ARG B 96 15.692 -0.003 -13.999 1.00 1.77 C ATOM 1200 NE ARG B 96 14.387 -0.714 -14.118 1.00 1.70 N ATOM 1201 CZ ARG B 96 14.337 -1.901 -14.660 1.00 2.10 C ATOM 1202 NH1 ARG B 96 15.051 -2.875 -14.165 1.00 2.54 N ATOM 1203 NH2 ARG B 96 13.574 -2.113 -15.696 1.00 2.69 N ATOM 0 H ARG B 96 14.677 2.146 -9.831 1.00 1.29 H new ATOM 0 HA ARG B 96 16.961 1.972 -11.492 1.00 1.42 H new ATOM 0 HB2 ARG B 96 14.867 0.655 -11.785 1.00 1.36 H new ATOM 0 HB3 ARG B 96 13.997 2.112 -12.223 1.00 1.36 H new ATOM 0 HG2 ARG B 96 14.687 1.872 -14.381 1.00 1.61 H new ATOM 0 HG3 ARG B 96 16.352 2.051 -13.866 1.00 1.61 H new ATOM 0 HD2 ARG B 96 16.261 -0.107 -14.923 1.00 1.77 H new ATOM 0 HD3 ARG B 96 16.290 -0.449 -13.204 1.00 1.77 H new ATOM 0 HE ARG B 96 13.533 -0.273 -13.776 1.00 1.70 H new ATOM 0 HH11 ARG B 96 15.648 -2.709 -13.355 1.00 2.54 H new ATOM 0 HH12 ARG B 96 15.012 -3.802 -14.588 1.00 2.54 H new ATOM 0 HH21 ARG B 96 13.016 -1.352 -16.083 1.00 2.69 H new ATOM 0 HH22 ARG B 96 13.535 -3.040 -16.119 1.00 2.69 H new ATOM 1217 N ARG B 97 15.140 4.690 -11.970 1.00 1.43 N ATOM 1218 CA ARG B 97 15.229 6.040 -12.585 1.00 1.55 C ATOM 1219 C ARG B 97 16.483 6.754 -12.074 1.00 1.67 C ATOM 1220 O ARG B 97 17.239 7.328 -12.833 1.00 1.83 O ATOM 1221 CB ARG B 97 13.987 6.858 -12.223 1.00 1.45 C ATOM 1222 CG ARG B 97 14.080 8.243 -12.866 1.00 1.62 C ATOM 1223 CD ARG B 97 12.854 8.482 -13.748 1.00 1.72 C ATOM 1224 NE ARG B 97 12.724 9.938 -14.038 1.00 2.17 N ATOM 1225 CZ ARG B 97 11.948 10.344 -15.006 1.00 2.50 C ATOM 1226 NH1 ARG B 97 12.107 9.872 -16.212 1.00 2.89 N ATOM 1227 NH2 ARG B 97 11.013 11.224 -14.770 1.00 3.17 N ATOM 0 H ARG B 97 14.286 4.501 -11.445 1.00 1.43 H new ATOM 0 HA ARG B 97 15.286 5.938 -13.669 1.00 1.55 H new ATOM 0 HB2 ARG B 97 13.089 6.346 -12.567 1.00 1.45 H new ATOM 0 HB3 ARG B 97 13.905 6.953 -11.140 1.00 1.45 H new ATOM 0 HG2 ARG B 97 14.140 9.010 -12.094 1.00 1.62 H new ATOM 0 HG3 ARG B 97 14.990 8.318 -13.462 1.00 1.62 H new ATOM 0 HD2 ARG B 97 12.948 7.922 -14.679 1.00 1.72 H new ATOM 0 HD3 ARG B 97 11.957 8.119 -13.247 1.00 1.72 H new ATOM 0 HE ARG B 97 13.241 10.617 -13.480 1.00 2.17 H new ATOM 0 HH11 ARG B 97 12.838 9.185 -16.399 1.00 2.89 H new ATOM 0 HH12 ARG B 97 11.500 10.190 -16.968 1.00 2.89 H new ATOM 0 HH21 ARG B 97 10.888 11.595 -13.828 1.00 3.17 H new ATOM 0 HH22 ARG B 97 10.407 11.540 -15.527 1.00 3.17 H new ATOM 1241 N LEU B 98 16.707 6.728 -10.788 1.00 1.62 N ATOM 1242 CA LEU B 98 17.905 7.408 -10.217 1.00 1.76 C ATOM 1243 C LEU B 98 19.178 6.858 -10.866 1.00 1.92 C ATOM 1244 O LEU B 98 20.052 7.601 -11.269 1.00 2.09 O ATOM 1245 CB LEU B 98 17.958 7.159 -8.709 1.00 1.69 C ATOM 1246 CG LEU B 98 17.500 8.414 -7.966 1.00 1.72 C ATOM 1247 CD1 LEU B 98 17.572 8.170 -6.458 1.00 1.72 C ATOM 1248 CD2 LEU B 98 18.411 9.587 -8.336 1.00 2.01 C ATOM 0 H LEU B 98 16.109 6.263 -10.105 1.00 1.62 H new ATOM 0 HA LEU B 98 17.836 8.478 -10.413 1.00 1.76 H new ATOM 0 HB2 LEU B 98 17.319 6.315 -8.447 1.00 1.69 H new ATOM 0 HB3 LEU B 98 18.972 6.896 -8.409 1.00 1.69 H new ATOM 0 HG LEU B 98 16.473 8.647 -8.248 1.00 1.72 H new ATOM 0 HD11 LEU B 98 17.245 9.065 -5.929 1.00 1.72 H new ATOM 0 HD12 LEU B 98 16.924 7.335 -6.193 1.00 1.72 H new ATOM 0 HD13 LEU B 98 18.599 7.936 -6.176 1.00 1.72 H new ATOM 0 HD21 LEU B 98 18.085 10.482 -7.806 1.00 2.01 H new ATOM 0 HD22 LEU B 98 19.438 9.353 -8.055 1.00 2.01 H new ATOM 0 HD23 LEU B 98 18.360 9.762 -9.411 1.00 2.01 H new ATOM 1260 N ILE B 99 19.295 5.562 -10.962 1.00 1.89 N ATOM 1261 CA ILE B 99 20.518 4.967 -11.575 1.00 2.07 C ATOM 1262 C ILE B 99 20.424 5.038 -13.101 1.00 2.17 C ATOM 1263 O ILE B 99 21.424 5.099 -13.789 1.00 2.50 O ATOM 1264 CB ILE B 99 20.648 3.507 -11.137 1.00 2.14 C ATOM 1265 CG1 ILE B 99 19.374 2.746 -11.512 1.00 2.13 C ATOM 1266 CG2 ILE B 99 20.848 3.444 -9.623 1.00 2.25 C ATOM 1267 CD1 ILE B 99 19.601 1.974 -12.814 1.00 2.38 C ATOM 0 H ILE B 99 18.598 4.889 -10.643 1.00 1.89 H new ATOM 0 HA ILE B 99 21.393 5.527 -11.245 1.00 2.07 H new ATOM 0 HB ILE B 99 21.504 3.054 -11.637 1.00 2.14 H new ATOM 0 HG12 ILE B 99 19.101 2.058 -10.712 1.00 2.13 H new ATOM 0 HG13 ILE B 99 18.544 3.442 -11.630 1.00 2.13 H new ATOM 0 HG21 ILE B 99 20.941 2.404 -9.311 1.00 2.25 H new ATOM 0 HG22 ILE B 99 21.754 3.986 -9.353 1.00 2.25 H new ATOM 0 HG23 ILE B 99 19.992 3.898 -9.124 1.00 2.25 H new ATOM 0 HD11 ILE B 99 18.693 1.433 -13.079 1.00 2.38 H new ATOM 0 HD12 ILE B 99 19.853 2.672 -13.612 1.00 2.38 H new ATOM 0 HD13 ILE B 99 20.419 1.266 -12.679 1.00 2.38 H new ATOM 1279 N LYS B 100 19.235 5.027 -13.639 1.00 2.25 N ATOM 1280 CA LYS B 100 19.093 5.091 -15.122 1.00 2.60 C ATOM 1281 C LYS B 100 18.005 6.102 -15.492 1.00 2.97 C ATOM 1282 O LYS B 100 16.909 6.066 -14.972 1.00 3.27 O ATOM 1283 CB LYS B 100 18.709 3.709 -15.656 1.00 2.80 C ATOM 1284 CG LYS B 100 19.132 3.593 -17.121 1.00 3.38 C ATOM 1285 CD LYS B 100 20.427 2.782 -17.218 1.00 3.94 C ATOM 1286 CE LYS B 100 20.114 1.374 -17.729 1.00 4.56 C ATOM 1287 NZ LYS B 100 21.382 0.605 -17.878 1.00 5.22 N ATOM 0 H LYS B 100 18.359 4.977 -13.119 1.00 2.25 H new ATOM 0 HA LYS B 100 20.040 5.403 -15.563 1.00 2.60 H new ATOM 0 HB2 LYS B 100 19.192 2.932 -15.064 1.00 2.80 H new ATOM 0 HB3 LYS B 100 17.634 3.558 -15.564 1.00 2.80 H new ATOM 0 HG2 LYS B 100 18.345 3.111 -17.700 1.00 3.38 H new ATOM 0 HG3 LYS B 100 19.279 4.585 -17.547 1.00 3.38 H new ATOM 0 HD2 LYS B 100 21.128 3.276 -17.891 1.00 3.94 H new ATOM 0 HD3 LYS B 100 20.907 2.727 -16.241 1.00 3.94 H new ATOM 0 HE2 LYS B 100 19.446 0.864 -17.035 1.00 4.56 H new ATOM 0 HE3 LYS B 100 19.596 1.430 -18.686 1.00 4.56 H new ATOM 0 HZ1 LYS B 100 21.169 -0.352 -18.225 1.00 5.22 H new ATOM 0 HZ2 LYS B 100 22.004 1.089 -18.557 1.00 5.22 H new ATOM 0 HZ3 LYS B 100 21.859 0.540 -16.956 1.00 5.22 H new ATOM 1301 N LYS B 101 18.299 7.004 -16.389 1.00 3.27 N ATOM 1302 CA LYS B 101 17.281 8.015 -16.793 1.00 3.83 C ATOM 1303 C LYS B 101 16.888 8.858 -15.578 1.00 4.00 C ATOM 1304 O LYS B 101 17.625 8.840 -14.606 1.00 4.36 O ATOM 1305 CB LYS B 101 16.041 7.302 -17.337 1.00 4.43 C ATOM 1306 CG LYS B 101 15.166 8.304 -18.092 1.00 5.03 C ATOM 1307 CD LYS B 101 15.180 7.972 -19.586 1.00 5.77 C ATOM 1308 CE LYS B 101 13.967 8.612 -20.262 1.00 6.68 C ATOM 1309 NZ LYS B 101 13.005 7.548 -20.667 1.00 7.38 N ATOM 1310 OXT LYS B 101 15.856 9.506 -15.640 1.00 4.28 O ATOM 0 H LYS B 101 19.200 7.084 -16.859 1.00 3.27 H new ATOM 0 HA LYS B 101 17.699 8.661 -17.565 1.00 3.83 H new ATOM 0 HB2 LYS B 101 16.337 6.490 -18.001 1.00 4.43 H new ATOM 0 HB3 LYS B 101 15.477 6.855 -16.518 1.00 4.43 H new ATOM 0 HG2 LYS B 101 14.145 8.271 -17.711 1.00 5.03 H new ATOM 0 HG3 LYS B 101 15.533 9.317 -17.931 1.00 5.03 H new ATOM 0 HD2 LYS B 101 16.099 8.339 -20.042 1.00 5.77 H new ATOM 0 HD3 LYS B 101 15.162 6.892 -19.730 1.00 5.77 H new ATOM 0 HE2 LYS B 101 13.485 9.313 -19.580 1.00 6.68 H new ATOM 0 HE3 LYS B 101 14.283 9.183 -21.135 1.00 6.68 H new ATOM 0 HZ1 LYS B 101 12.180 7.983 -21.127 1.00 7.38 H new ATOM 0 HZ2 LYS B 101 13.468 6.896 -21.332 1.00 7.38 H new ATOM 0 HZ3 LYS B 101 12.695 7.022 -19.825 1.00 7.38 H new TER 1324 LYS B 101