USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 494 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 20 THR OG1 : rot -29:sc= 0.971 USER MOD Set 1.2: B 21 MET CE :methyl -166:sc= 0 (180deg=-0.0502) USER MOD Set 2.1: A 20 THR OG1 : rot -45:sc= 1.19 USER MOD Set 2.2: A 21 MET CE :methyl -165:sc= 0 (180deg=-0.0513) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -174:sc= -0.113 (180deg=-0.183) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 152:sc= -0.109 (180deg=-0.853) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -173:sc= -0.103 (180deg=-0.191) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl 156:sc= -0.142 (180deg=-0.828) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 4.573 1.365 -5.063 1.00268.66 N ATOM 2 CA LYS A 5 4.185 1.761 -3.681 1.00170.39 C ATOM 3 C LYS A 5 5.390 1.621 -2.757 1.00143.88 C ATOM 4 O LYS A 5 5.261 1.207 -1.604 1.00133.51 O ATOM 5 CB LYS A 5 3.035 0.865 -3.199 1.00296.15 C ATOM 6 CG LYS A 5 1.769 1.103 -4.070 1.00395.74 C ATOM 7 CD LYS A 5 0.551 1.384 -3.179 1.00565.91 C ATOM 8 CE LYS A 5 -0.683 1.610 -4.052 1.00738.10 C ATOM 9 NZ LYS A 5 -1.846 1.946 -3.183 1.00958.39 N ATOM 0 HA LYS A 5 3.852 2.799 -3.672 1.00170.39 H new ATOM 0 HB2 LYS A 5 3.332 -0.182 -3.255 1.00296.15 H new ATOM 0 HB3 LYS A 5 2.812 1.078 -2.154 1.00296.15 H new ATOM 0 HG2 LYS A 5 1.936 1.943 -4.744 1.00395.74 H new ATOM 0 HG3 LYS A 5 1.578 0.229 -4.692 1.00395.74 H new ATOM 0 HD2 LYS A 5 0.382 0.546 -2.503 1.00565.91 H new ATOM 0 HD3 LYS A 5 0.736 2.261 -2.559 1.00565.91 H new ATOM 0 HE2 LYS A 5 -0.498 2.417 -4.761 1.00738.10 H new ATOM 0 HE3 LYS A 5 -0.898 0.716 -4.637 1.00738.10 H new ATOM 0 HZ1 LYS A 5 -2.688 2.100 -3.774 1.00958.39 H new ATOM 0 HZ2 LYS A 5 -2.025 1.162 -2.524 1.00958.39 H new ATOM 0 HZ3 LYS A 5 -1.638 2.811 -2.644 1.00958.39 H new ATOM 22 N GLY A 6 6.560 1.974 -3.276 1.00154.36 N ATOM 23 CA GLY A 6 7.797 1.894 -2.505 1.00165.47 C ATOM 24 C GLY A 6 7.868 3.003 -1.461 1.00112.44 C ATOM 25 O GLY A 6 8.632 2.922 -0.503 1.00131.01 O ATOM 0 H GLY A 6 6.679 2.319 -4.228 1.00154.36 H new ATOM 0 HA2 GLY A 6 7.860 0.923 -2.013 1.00165.47 H new ATOM 0 HA3 GLY A 6 8.653 1.967 -3.176 1.00165.47 H new ATOM 29 N ALA A 7 7.083 4.048 -1.660 1.00 71.60 N ATOM 30 CA ALA A 7 7.081 5.165 -0.726 1.00 57.89 C ATOM 31 C ALA A 7 6.591 4.718 0.651 1.00 41.02 C ATOM 32 O ALA A 7 7.064 5.209 1.677 1.00 49.48 O ATOM 33 CB ALA A 7 6.182 6.283 -1.255 1.00 58.12 C ATOM 0 H ALA A 7 6.445 4.148 -2.450 1.00 71.60 H new ATOM 0 HA ALA A 7 8.102 5.535 -0.629 1.00 57.89 H new ATOM 0 HB1 ALA A 7 6.185 7.116 -0.552 1.00 58.12 H new ATOM 0 HB2 ALA A 7 6.555 6.623 -2.221 1.00 58.12 H new ATOM 0 HB3 ALA A 7 5.165 5.908 -1.370 1.00 58.12 H new ATOM 39 N ILE A 8 5.630 3.797 0.667 1.00 33.92 N ATOM 40 CA ILE A 8 5.071 3.305 1.928 1.00 34.10 C ATOM 41 C ILE A 8 6.120 2.570 2.765 1.00 30.20 C ATOM 42 O ILE A 8 6.308 2.884 3.941 1.00 35.32 O ATOM 43 CB ILE A 8 3.884 2.374 1.623 1.00 50.51 C ATOM 44 CG1 ILE A 8 2.643 3.218 1.270 1.00 80.67 C ATOM 45 CG2 ILE A 8 3.567 1.488 2.836 1.00 64.49 C ATOM 46 CD1 ILE A 8 1.650 2.385 0.452 1.00200.66 C ATOM 0 H ILE A 8 5.224 3.378 -0.170 1.00 33.92 H new ATOM 0 HA ILE A 8 4.733 4.160 2.513 1.00 34.10 H new ATOM 0 HB ILE A 8 4.150 1.736 0.781 1.00 50.51 H new ATOM 0 HG12 ILE A 8 2.165 3.574 2.183 1.00 80.67 H new ATOM 0 HG13 ILE A 8 2.943 4.099 0.703 1.00 80.67 H new ATOM 0 HG21 ILE A 8 2.725 0.837 2.601 1.00 64.49 H new ATOM 0 HG22 ILE A 8 4.438 0.880 3.080 1.00 64.49 H new ATOM 0 HG23 ILE A 8 3.312 2.117 3.689 1.00 64.49 H new ATOM 0 HD11 ILE A 8 0.778 2.993 0.209 1.00200.66 H new ATOM 0 HD12 ILE A 8 2.127 2.051 -0.469 1.00200.66 H new ATOM 0 HD13 ILE A 8 1.337 1.518 1.033 1.00200.66 H new ATOM 58 N ILE A 9 6.796 1.592 2.169 1.00 31.23 N ATOM 59 CA ILE A 9 7.804 0.843 2.907 1.00 38.19 C ATOM 60 C ILE A 9 8.976 1.756 3.242 1.00 36.82 C ATOM 61 O ILE A 9 9.503 1.728 4.349 1.00 43.68 O ATOM 62 CB ILE A 9 8.274 -0.374 2.093 1.00 56.91 C ATOM 63 CG1 ILE A 9 9.103 -1.312 2.984 1.00 74.61 C ATOM 64 CG2 ILE A 9 9.129 0.081 0.914 1.00 66.20 C ATOM 65 CD1 ILE A 9 8.198 -2.074 3.964 1.00 64.57 C ATOM 0 H ILE A 9 6.668 1.305 1.199 1.00 31.23 H new ATOM 0 HA ILE A 9 7.368 0.476 3.836 1.00 38.19 H new ATOM 0 HB ILE A 9 7.397 -0.903 1.721 1.00 56.91 H new ATOM 0 HG12 ILE A 9 9.652 -2.020 2.363 1.00 74.61 H new ATOM 0 HG13 ILE A 9 9.843 -0.735 3.539 1.00 74.61 H new ATOM 0 HG21 ILE A 9 9.456 -0.789 0.345 1.00 66.20 H new ATOM 0 HG22 ILE A 9 8.542 0.736 0.270 1.00 66.20 H new ATOM 0 HG23 ILE A 9 10.000 0.621 1.284 1.00 66.20 H new ATOM 0 HD11 ILE A 9 8.806 -2.732 4.585 1.00 64.57 H new ATOM 0 HD12 ILE A 9 7.669 -1.363 4.599 1.00 64.57 H new ATOM 0 HD13 ILE A 9 7.475 -2.668 3.405 1.00 64.57 H new ATOM 77 N GLY A 10 9.370 2.573 2.274 1.00 39.24 N ATOM 78 CA GLY A 10 10.480 3.495 2.480 1.00 48.22 C ATOM 79 C GLY A 10 10.321 4.226 3.809 1.00 40.10 C ATOM 80 O GLY A 10 11.260 4.309 4.599 1.00 50.55 O ATOM 0 H GLY A 10 8.944 2.617 1.348 1.00 39.24 H new ATOM 0 HA2 GLY A 10 11.423 2.948 2.468 1.00 48.22 H new ATOM 0 HA3 GLY A 10 10.519 4.216 1.663 1.00 48.22 H new ATOM 84 N LEU A 11 9.121 4.740 4.057 1.00 30.69 N ATOM 85 CA LEU A 11 8.842 5.438 5.296 1.00 28.65 C ATOM 86 C LEU A 11 8.803 4.456 6.468 1.00 17.60 C ATOM 87 O LEU A 11 9.242 4.775 7.569 1.00 19.60 O ATOM 88 CB LEU A 11 7.516 6.194 5.178 1.00 37.71 C ATOM 89 CG LEU A 11 7.398 7.221 6.310 1.00137.67 C ATOM 90 CD1 LEU A 11 8.472 8.324 6.165 1.00293.87 C ATOM 91 CD2 LEU A 11 6.000 7.851 6.271 1.00340.02 C ATOM 0 H LEU A 11 8.331 4.684 3.415 1.00 30.69 H new ATOM 0 HA LEU A 11 9.640 6.157 5.485 1.00 28.65 H new ATOM 0 HB2 LEU A 11 7.458 6.696 4.212 1.00 37.71 H new ATOM 0 HB3 LEU A 11 6.683 5.493 5.223 1.00 37.71 H new ATOM 0 HG LEU A 11 7.554 6.716 7.263 1.00137.67 H new ATOM 0 HD11 LEU A 11 8.369 9.041 6.979 1.00293.87 H new ATOM 0 HD12 LEU A 11 9.464 7.873 6.202 1.00293.87 H new ATOM 0 HD13 LEU A 11 8.341 8.836 5.212 1.00293.87 H new ATOM 0 HD21 LEU A 11 5.908 8.583 7.074 1.00340.02 H new ATOM 0 HD22 LEU A 11 5.850 8.345 5.311 1.00340.02 H new ATOM 0 HD23 LEU A 11 5.247 7.074 6.401 1.00340.02 H new ATOM 103 N MET A 12 8.265 3.260 6.223 1.00 13.25 N ATOM 104 CA MET A 12 8.164 2.241 7.250 1.00 13.66 C ATOM 105 C MET A 12 9.529 1.955 7.868 1.00 15.27 C ATOM 106 O MET A 12 9.715 2.082 9.077 1.00 25.25 O ATOM 107 CB MET A 12 7.627 0.972 6.590 1.00 13.41 C ATOM 108 CG MET A 12 7.180 -0.034 7.637 1.00 27.01 C ATOM 109 SD MET A 12 8.624 -0.890 8.326 1.00 67.50 S ATOM 110 CE MET A 12 8.308 -0.566 10.082 1.00 19.73 C ATOM 0 H MET A 12 7.893 2.980 5.316 1.00 13.25 H new ATOM 0 HA MET A 12 7.501 2.582 8.045 1.00 13.66 H new ATOM 0 HB2 MET A 12 6.789 1.222 5.939 1.00 13.41 H new ATOM 0 HB3 MET A 12 8.399 0.530 5.961 1.00 13.41 H new ATOM 0 HG2 MET A 12 6.634 0.474 8.432 1.00 27.01 H new ATOM 0 HG3 MET A 12 6.496 -0.757 7.191 1.00 27.01 H new ATOM 0 HE1 MET A 12 9.149 -0.924 10.675 1.00 19.73 H new ATOM 0 HE2 MET A 12 8.184 0.506 10.238 1.00 19.73 H new ATOM 0 HE3 MET A 12 7.400 -1.085 10.390 1.00 19.73 H new ATOM 120 N VAL A 13 10.477 1.565 7.026 1.00 15.04 N ATOM 121 CA VAL A 13 11.826 1.253 7.481 1.00 27.94 C ATOM 122 C VAL A 13 12.535 2.496 8.002 1.00 27.37 C ATOM 123 O VAL A 13 13.544 2.392 8.699 1.00 56.20 O ATOM 124 CB VAL A 13 12.642 0.605 6.363 1.00 45.38 C ATOM 125 CG1 VAL A 13 12.050 -0.776 6.052 1.00 49.54 C ATOM 126 CG2 VAL A 13 12.616 1.488 5.103 1.00 50.55 C ATOM 0 H VAL A 13 10.336 1.457 6.022 1.00 15.04 H new ATOM 0 HA VAL A 13 11.739 0.543 8.303 1.00 27.94 H new ATOM 0 HB VAL A 13 13.678 0.497 6.684 1.00 45.38 H new ATOM 0 HG11 VAL A 13 12.625 -1.247 5.255 1.00 49.54 H new ATOM 0 HG12 VAL A 13 12.090 -1.399 6.946 1.00 49.54 H new ATOM 0 HG13 VAL A 13 11.013 -0.664 5.734 1.00 49.54 H new ATOM 0 HG21 VAL A 13 13.201 1.014 4.315 1.00 50.55 H new ATOM 0 HG22 VAL A 13 11.587 1.612 4.766 1.00 50.55 H new ATOM 0 HG23 VAL A 13 13.042 2.464 5.334 1.00 50.55 H new ATOM 136 N GLY A 14 12.029 3.674 7.650 1.00 15.55 N ATOM 137 CA GLY A 14 12.641 4.917 8.107 1.00 17.23 C ATOM 138 C GLY A 14 12.149 5.283 9.509 1.00 11.03 C ATOM 139 O GLY A 14 12.930 5.714 10.357 1.00 11.51 O ATOM 0 H GLY A 14 11.207 3.794 7.057 1.00 15.55 H new ATOM 0 HA2 GLY A 14 13.726 4.812 8.114 1.00 17.23 H new ATOM 0 HA3 GLY A 14 12.403 5.722 7.412 1.00 17.23 H new ATOM 143 N GLY A 15 10.843 5.122 9.741 1.00 9.73 N ATOM 144 CA GLY A 15 10.267 5.457 11.039 1.00 12.88 C ATOM 145 C GLY A 15 11.036 4.764 12.155 1.00 11.51 C ATOM 146 O GLY A 15 11.484 5.403 13.101 1.00 25.06 O ATOM 0 H GLY A 15 10.176 4.767 9.056 1.00 9.73 H new ATOM 0 HA2 GLY A 15 10.292 6.537 11.187 1.00 12.88 H new ATOM 0 HA3 GLY A 15 9.220 5.155 11.068 1.00 12.88 H new ATOM 150 N VAL A 16 11.179 3.452 12.033 1.00 8.00 N ATOM 151 CA VAL A 16 11.892 2.680 13.043 1.00 10.06 C ATOM 152 C VAL A 16 13.194 3.374 13.411 1.00 13.58 C ATOM 153 O VAL A 16 13.467 3.604 14.585 1.00 30.97 O ATOM 154 CB VAL A 16 12.172 1.258 12.542 1.00 10.29 C ATOM 155 CG1 VAL A 16 10.855 0.494 12.385 1.00 10.71 C ATOM 156 CG2 VAL A 16 12.880 1.318 11.189 1.00 16.10 C ATOM 0 H VAL A 16 10.815 2.904 11.254 1.00 8.00 H new ATOM 0 HA VAL A 16 11.264 2.613 13.931 1.00 10.06 H new ATOM 0 HB VAL A 16 12.807 0.746 13.266 1.00 10.29 H new ATOM 0 HG11 VAL A 16 11.060 -0.516 12.029 1.00 10.71 H new ATOM 0 HG12 VAL A 16 10.347 0.443 13.348 1.00 10.71 H new ATOM 0 HG13 VAL A 16 10.219 1.010 11.666 1.00 10.71 H new ATOM 0 HG21 VAL A 16 13.077 0.306 10.836 1.00 16.10 H new ATOM 0 HG22 VAL A 16 12.246 1.836 10.469 1.00 16.10 H new ATOM 0 HG23 VAL A 16 13.822 1.855 11.295 1.00 16.10 H new ATOM 166 N VAL A 17 13.994 3.706 12.413 1.00 9.81 N ATOM 167 CA VAL A 17 15.269 4.355 12.673 1.00 15.79 C ATOM 168 C VAL A 17 15.075 5.636 13.486 1.00 16.93 C ATOM 169 O VAL A 17 15.787 5.869 14.459 1.00 21.08 O ATOM 170 CB VAL A 17 15.949 4.707 11.351 1.00 24.35 C ATOM 171 CG1 VAL A 17 17.247 5.458 11.642 1.00 35.41 C ATOM 172 CG2 VAL A 17 16.258 3.428 10.569 1.00 26.19 C ATOM 0 H VAL A 17 13.789 3.540 11.428 1.00 9.81 H new ATOM 0 HA VAL A 17 15.890 3.664 13.243 1.00 15.79 H new ATOM 0 HB VAL A 17 15.286 5.335 10.755 1.00 24.35 H new ATOM 0 HG11 VAL A 17 17.738 5.713 10.703 1.00 35.41 H new ATOM 0 HG12 VAL A 17 17.023 6.371 12.194 1.00 35.41 H new ATOM 0 HG13 VAL A 17 17.907 4.827 12.237 1.00 35.41 H new ATOM 0 HG21 VAL A 17 16.743 3.685 9.627 1.00 26.19 H new ATOM 0 HG22 VAL A 17 16.921 2.793 11.157 1.00 26.19 H new ATOM 0 HG23 VAL A 17 15.330 2.893 10.365 1.00 26.19 H new ATOM 182 N ILE A 18 14.107 6.455 13.091 1.00 16.79 N ATOM 183 CA ILE A 18 13.857 7.697 13.820 1.00 22.42 C ATOM 184 C ILE A 18 13.416 7.374 15.247 1.00 21.47 C ATOM 185 O ILE A 18 13.908 7.955 16.214 1.00 26.35 O ATOM 186 CB ILE A 18 12.785 8.531 13.113 1.00 24.94 C ATOM 187 CG1 ILE A 18 13.330 8.994 11.757 1.00 28.74 C ATOM 188 CG2 ILE A 18 12.439 9.756 13.969 1.00 32.38 C ATOM 189 CD1 ILE A 18 12.228 9.701 10.962 1.00142.96 C ATOM 0 H ILE A 18 13.495 6.290 12.291 1.00 16.79 H new ATOM 0 HA ILE A 18 14.778 8.279 13.850 1.00 22.42 H new ATOM 0 HB ILE A 18 11.888 7.930 12.967 1.00 24.94 H new ATOM 0 HG12 ILE A 18 14.172 9.669 11.906 1.00 28.74 H new ATOM 0 HG13 ILE A 18 13.703 8.138 11.195 1.00 28.74 H new ATOM 0 HG21 ILE A 18 11.676 10.349 13.464 1.00 32.38 H new ATOM 0 HG22 ILE A 18 12.062 9.428 14.938 1.00 32.38 H new ATOM 0 HG23 ILE A 18 13.333 10.363 14.114 1.00 32.38 H new ATOM 0 HD11 ILE A 18 12.625 10.026 10.000 1.00142.96 H new ATOM 0 HD12 ILE A 18 11.399 9.013 10.798 1.00142.96 H new ATOM 0 HD13 ILE A 18 11.875 10.568 11.521 1.00142.96 H new ATOM 201 N ALA A 19 12.479 6.445 15.361 1.00 17.48 N ATOM 202 CA ALA A 19 11.962 6.048 16.664 1.00 19.05 C ATOM 203 C ALA A 19 13.110 5.620 17.573 1.00 19.90 C ATOM 204 O ALA A 19 13.123 5.933 18.764 1.00 25.01 O ATOM 205 CB ALA A 19 10.971 4.893 16.507 1.00 18.00 C ATOM 0 H ALA A 19 12.062 5.953 14.571 1.00 17.48 H new ATOM 0 HA ALA A 19 11.449 6.899 17.112 1.00 19.05 H new ATOM 0 HB1 ALA A 19 10.591 4.604 17.487 1.00 18.00 H new ATOM 0 HB2 ALA A 19 10.141 5.209 15.874 1.00 18.00 H new ATOM 0 HB3 ALA A 19 11.474 4.042 16.048 1.00 18.00 H new ATOM 211 N THR A 20 14.073 4.906 17.003 1.00 17.42 N ATOM 212 CA THR A 20 15.228 4.436 17.766 1.00 19.05 C ATOM 213 C THR A 20 16.137 5.592 18.146 1.00 18.07 C ATOM 214 O THR A 20 16.945 5.471 19.059 1.00 18.25 O ATOM 215 CB THR A 20 16.041 3.435 16.932 1.00 21.49 C ATOM 216 OG1 THR A 20 16.687 4.134 15.877 1.00130.55 O ATOM 217 CG2 THR A 20 15.139 2.344 16.324 1.00 59.60 C ATOM 0 H THR A 20 14.080 4.639 16.019 1.00 17.42 H new ATOM 0 HA THR A 20 14.853 3.958 18.671 1.00 19.05 H new ATOM 0 HB THR A 20 16.768 2.955 17.587 1.00 21.49 H new ATOM 0 HG1 THR A 20 16.055 4.758 15.463 1.00130.55 H new ATOM 0 HG21 THR A 20 15.747 1.653 15.740 1.00 59.60 H new ATOM 0 HG22 THR A 20 14.637 1.799 17.124 1.00 59.60 H new ATOM 0 HG23 THR A 20 14.394 2.807 15.677 1.00 59.60 H new ATOM 225 N MET A 21 16.021 6.708 17.440 1.00 19.25 N ATOM 226 CA MET A 21 16.858 7.863 17.739 1.00 21.10 C ATOM 227 C MET A 21 16.276 8.672 18.893 1.00 23.92 C ATOM 228 O MET A 21 17.020 9.240 19.691 1.00 27.28 O ATOM 229 CB MET A 21 17.004 8.751 16.499 1.00 23.33 C ATOM 230 CG MET A 21 17.941 8.082 15.485 1.00 23.77 C ATOM 231 SD MET A 21 19.628 7.993 16.153 1.00113.59 S ATOM 232 CE MET A 21 19.739 6.190 16.316 1.00 32.19 C ATOM 0 H MET A 21 15.367 6.839 16.668 1.00 19.25 H new ATOM 0 HA MET A 21 17.843 7.500 18.034 1.00 21.10 H new ATOM 0 HB2 MET A 21 16.027 8.922 16.047 1.00 23.33 H new ATOM 0 HB3 MET A 21 17.399 9.726 16.784 1.00 23.33 H new ATOM 0 HG2 MET A 21 17.581 7.080 15.252 1.00 23.77 H new ATOM 0 HG3 MET A 21 17.941 8.645 14.552 1.00 23.77 H new ATOM 0 HE1 MET A 21 20.586 5.934 16.952 1.00 32.19 H new ATOM 0 HE2 MET A 21 18.821 5.808 16.763 1.00 32.19 H new ATOM 0 HE3 MET A 21 19.876 5.743 15.331 1.00 32.19 H new ATOM 242 N ILE A 22 14.947 8.740 18.981 1.00 25.24 N ATOM 243 CA ILE A 22 14.307 9.503 20.046 1.00 30.53 C ATOM 244 C ILE A 22 14.589 8.881 21.413 1.00 20.31 C ATOM 245 O ILE A 22 14.885 9.583 22.370 1.00 20.33 O ATOM 246 CB ILE A 22 12.796 9.546 19.802 1.00 41.31 C ATOM 247 CG1 ILE A 22 12.513 10.345 18.525 1.00 58.44 C ATOM 248 CG2 ILE A 22 12.104 10.228 20.987 1.00 49.96 C ATOM 249 CD1 ILE A 22 11.047 10.171 18.116 1.00 72.54 C ATOM 0 H ILE A 22 14.303 8.282 18.336 1.00 25.24 H new ATOM 0 HA ILE A 22 14.714 10.514 20.041 1.00 30.53 H new ATOM 0 HB ILE A 22 12.416 8.530 19.694 1.00 41.31 H new ATOM 0 HG12 ILE A 22 12.731 11.400 18.690 1.00 58.44 H new ATOM 0 HG13 ILE A 22 13.167 10.006 17.721 1.00 58.44 H new ATOM 0 HG21 ILE A 22 11.029 10.258 20.812 1.00 49.96 H new ATOM 0 HG22 ILE A 22 12.308 9.667 21.899 1.00 49.96 H new ATOM 0 HG23 ILE A 22 12.483 11.244 21.094 1.00 49.96 H new ATOM 0 HD11 ILE A 22 10.852 10.741 17.208 1.00 72.54 H new ATOM 0 HD12 ILE A 22 10.843 9.116 17.933 1.00 72.54 H new ATOM 0 HD13 ILE A 22 10.401 10.532 18.916 1.00 72.54 H new ATOM 261 N VAL A 23 14.469 7.563 21.508 1.00 13.93 N ATOM 262 CA VAL A 23 14.695 6.885 22.784 1.00 9.17 C ATOM 263 C VAL A 23 16.127 7.095 23.264 1.00 5.41 C ATOM 264 O VAL A 23 16.370 7.245 24.461 1.00 6.63 O ATOM 265 CB VAL A 23 14.388 5.384 22.658 1.00 11.85 C ATOM 266 CG1 VAL A 23 12.877 5.168 22.383 1.00 28.81 C ATOM 267 CG2 VAL A 23 15.228 4.773 21.520 1.00 12.82 C ATOM 0 H VAL A 23 14.221 6.948 20.733 1.00 13.93 H new ATOM 0 HA VAL A 23 14.020 7.318 23.522 1.00 9.17 H new ATOM 0 HB VAL A 23 14.646 4.889 23.594 1.00 11.85 H new ATOM 0 HG11 VAL A 23 12.672 4.101 22.296 1.00 28.81 H new ATOM 0 HG12 VAL A 23 12.294 5.583 23.205 1.00 28.81 H new ATOM 0 HG13 VAL A 23 12.601 5.668 21.454 1.00 28.81 H new ATOM 0 HG21 VAL A 23 15.007 3.709 21.435 1.00 12.82 H new ATOM 0 HG22 VAL A 23 14.985 5.270 20.581 1.00 12.82 H new ATOM 0 HG23 VAL A 23 16.288 4.907 21.738 1.00 12.82 H new ATOM 277 N ILE A 24 17.071 7.133 22.333 1.00 7.54 N ATOM 278 CA ILE A 24 18.469 7.361 22.701 1.00 12.64 C ATOM 279 C ILE A 24 18.564 8.566 23.648 1.00 15.56 C ATOM 280 O ILE A 24 19.510 8.677 24.425 1.00 36.67 O ATOM 281 CB ILE A 24 19.325 7.579 21.420 1.00 25.31 C ATOM 282 CG1 ILE A 24 20.091 6.289 21.062 1.00 23.94 C ATOM 283 CG2 ILE A 24 20.344 8.717 21.605 1.00102.06 C ATOM 284 CD1 ILE A 24 19.148 5.073 21.061 1.00 19.26 C ATOM 0 H ILE A 24 16.903 7.012 21.334 1.00 7.54 H new ATOM 0 HA ILE A 24 18.859 6.487 23.222 1.00 12.64 H new ATOM 0 HB ILE A 24 18.638 7.846 20.617 1.00 25.31 H new ATOM 0 HG12 ILE A 24 20.554 6.396 20.081 1.00 23.94 H new ATOM 0 HG13 ILE A 24 20.897 6.129 21.778 1.00 23.94 H new ATOM 0 HG21 ILE A 24 20.923 8.839 20.690 1.00102.06 H new ATOM 0 HG22 ILE A 24 19.817 9.645 21.828 1.00102.06 H new ATOM 0 HG23 ILE A 24 21.015 8.474 22.429 1.00102.06 H new ATOM 0 HD11 ILE A 24 19.712 4.176 20.806 1.00 19.26 H new ATOM 0 HD12 ILE A 24 18.706 4.955 22.050 1.00 19.26 H new ATOM 0 HD13 ILE A 24 18.358 5.226 20.326 1.00 19.26 H new ATOM 296 N THR A 25 17.564 9.443 23.598 1.00 17.12 N ATOM 297 CA THR A 25 17.541 10.610 24.486 1.00 20.30 C ATOM 298 C THR A 25 16.989 10.188 25.849 1.00 16.16 C ATOM 299 O THR A 25 17.567 10.498 26.891 1.00 20.97 O ATOM 300 CB THR A 25 16.711 11.750 23.848 1.00 34.41 C ATOM 301 OG1 THR A 25 17.597 12.714 23.301 1.00 76.87 O ATOM 302 CG2 THR A 25 15.791 12.431 24.872 1.00114.84 C ATOM 0 H THR A 25 16.769 9.373 22.963 1.00 17.12 H new ATOM 0 HA THR A 25 18.551 10.994 24.631 1.00 20.30 H new ATOM 0 HB THR A 25 16.081 11.317 23.071 1.00 34.41 H new ATOM 0 HG1 THR A 25 17.080 13.439 22.893 1.00 76.87 H new ATOM 0 HG21 THR A 25 15.227 13.225 24.383 1.00114.84 H new ATOM 0 HG22 THR A 25 15.100 11.696 25.285 1.00114.84 H new ATOM 0 HG23 THR A 25 16.393 12.856 25.676 1.00114.84 H new ATOM 310 N LEU A 26 15.877 9.465 25.824 1.00 24.59 N ATOM 311 CA LEU A 26 15.249 8.981 27.047 1.00 43.81 C ATOM 312 C LEU A 26 16.309 8.340 27.944 1.00 50.74 C ATOM 313 O LEU A 26 16.289 8.481 29.165 1.00 67.30 O ATOM 314 CB LEU A 26 14.160 7.969 26.650 1.00 68.49 C ATOM 315 CG LEU A 26 13.562 7.245 27.871 1.00121.63 C ATOM 316 CD1 LEU A 26 14.530 6.170 28.420 1.00130.71 C ATOM 317 CD2 LEU A 26 13.198 8.268 28.964 1.00154.31 C ATOM 0 H LEU A 26 15.390 9.200 24.968 1.00 24.59 H new ATOM 0 HA LEU A 26 14.793 9.797 27.607 1.00 43.81 H new ATOM 0 HB2 LEU A 26 13.366 8.486 26.112 1.00 68.49 H new ATOM 0 HB3 LEU A 26 14.583 7.234 25.965 1.00 68.49 H new ATOM 0 HG LEU A 26 12.654 6.732 27.554 1.00121.63 H new ATOM 0 HD11 LEU A 26 14.077 5.678 29.281 1.00130.71 H new ATOM 0 HD12 LEU A 26 14.731 5.431 27.644 1.00130.71 H new ATOM 0 HD13 LEU A 26 15.465 6.642 28.722 1.00130.71 H new ATOM 0 HD21 LEU A 26 12.776 7.747 29.824 1.00154.31 H new ATOM 0 HD22 LEU A 26 14.094 8.807 29.271 1.00154.31 H new ATOM 0 HD23 LEU A 26 12.466 8.974 28.572 1.00154.31 H new ATOM 329 N VAL A 27 17.262 7.673 27.319 1.00 51.05 N ATOM 330 CA VAL A 27 18.350 7.045 28.060 1.00 84.26 C ATOM 331 C VAL A 27 19.184 8.107 28.775 1.00 78.33 C ATOM 332 O VAL A 27 19.235 8.155 30.000 1.00123.15 O ATOM 333 CB VAL A 27 19.238 6.268 27.085 1.00106.72 C ATOM 334 CG1 VAL A 27 20.471 5.724 27.816 1.00155.81 C ATOM 335 CG2 VAL A 27 18.436 5.106 26.475 1.00117.77 C ATOM 0 H VAL A 27 17.309 7.550 26.307 1.00 51.05 H new ATOM 0 HA VAL A 27 17.933 6.366 28.804 1.00 84.26 H new ATOM 0 HB VAL A 27 19.568 6.936 26.290 1.00106.72 H new ATOM 0 HG11 VAL A 27 21.096 5.173 27.114 1.00155.81 H new ATOM 0 HG12 VAL A 27 21.041 6.553 28.236 1.00155.81 H new ATOM 0 HG13 VAL A 27 20.154 5.059 28.619 1.00155.81 H new ATOM 0 HG21 VAL A 27 19.068 4.553 25.781 1.00117.77 H new ATOM 0 HG22 VAL A 27 18.099 4.440 27.269 1.00117.77 H new ATOM 0 HG23 VAL A 27 17.571 5.501 25.942 1.00117.77 H new ATOM 345 N MET A 28 19.850 8.940 27.988 1.00 55.74 N ATOM 346 CA MET A 28 20.699 9.994 28.538 1.00 71.69 C ATOM 347 C MET A 28 19.962 10.770 29.626 1.00 50.01 C ATOM 348 O MET A 28 20.585 11.331 30.527 1.00 58.55 O ATOM 349 CB MET A 28 21.143 10.949 27.429 1.00 93.75 C ATOM 350 CG MET A 28 21.824 10.151 26.316 1.00138.97 C ATOM 351 SD MET A 28 22.307 11.268 24.974 1.00412.80 S ATOM 352 CE MET A 28 23.638 12.136 25.844 1.00479.64 C ATOM 0 H MET A 28 19.821 8.909 26.969 1.00 55.74 H new ATOM 0 HA MET A 28 21.579 9.526 28.980 1.00 71.69 H new ATOM 0 HB2 MET A 28 20.283 11.488 27.032 1.00 93.75 H new ATOM 0 HB3 MET A 28 21.829 11.695 27.829 1.00 93.75 H new ATOM 0 HG2 MET A 28 22.702 9.637 26.708 1.00138.97 H new ATOM 0 HG3 MET A 28 21.148 9.384 25.939 1.00138.97 H new ATOM 0 HE1 MET A 28 24.375 12.488 25.122 1.00479.64 H new ATOM 0 HE2 MET A 28 23.225 12.987 26.385 1.00479.64 H new ATOM 0 HE3 MET A 28 24.116 11.456 26.549 1.00479.64 H new ATOM 362 N LEU A 29 18.638 10.799 29.538 1.00 33.39 N ATOM 363 CA LEU A 29 17.836 11.511 30.526 1.00 31.07 C ATOM 364 C LEU A 29 17.763 10.734 31.839 1.00 31.94 C ATOM 365 O LEU A 29 17.454 11.304 32.883 1.00 34.13 O ATOM 366 CB LEU A 29 16.421 11.753 29.985 1.00 36.51 C ATOM 367 CG LEU A 29 16.440 12.893 28.952 1.00 58.79 C ATOM 368 CD1 LEU A 29 15.077 12.960 28.255 1.00 79.21 C ATOM 369 CD2 LEU A 29 16.741 14.244 29.642 1.00 94.79 C ATOM 0 H LEU A 29 18.101 10.343 28.801 1.00 33.39 H new ATOM 0 HA LEU A 29 18.316 12.470 30.721 1.00 31.07 H new ATOM 0 HB2 LEU A 29 16.038 10.842 29.526 1.00 36.51 H new ATOM 0 HB3 LEU A 29 15.748 12.005 30.804 1.00 36.51 H new ATOM 0 HG LEU A 29 17.223 12.698 28.219 1.00 58.79 H new ATOM 0 HD11 LEU A 29 15.083 13.766 27.521 1.00 79.21 H new ATOM 0 HD12 LEU A 29 14.878 12.013 27.753 1.00 79.21 H new ATOM 0 HD13 LEU A 29 14.299 13.148 28.995 1.00 79.21 H new ATOM 0 HD21 LEU A 29 16.751 15.039 28.896 1.00 94.79 H new ATOM 0 HD22 LEU A 29 15.971 14.453 30.385 1.00 94.79 H new ATOM 0 HD23 LEU A 29 17.714 14.194 30.131 1.00 94.79 H new ATOM 381 N LYS A 30 18.039 9.436 31.790 1.00 60.40 N ATOM 382 CA LYS A 30 17.988 8.620 32.998 1.00 87.27 C ATOM 383 C LYS A 30 18.806 9.257 34.118 1.00 88.23 C ATOM 384 O LYS A 30 18.572 8.980 35.294 1.00 97.55 O ATOM 385 CB LYS A 30 18.517 7.203 32.730 1.00138.97 C ATOM 386 CG LYS A 30 17.464 6.386 31.974 1.00224.62 C ATOM 387 CD LYS A 30 17.958 4.943 31.806 1.00316.27 C ATOM 388 CE LYS A 30 16.773 4.026 31.489 1.00572.53 C ATOM 389 NZ LYS A 30 17.242 2.613 31.430 1.00870.34 N ATOM 0 H LYS A 30 18.297 8.932 30.942 1.00 60.40 H new ATOM 0 HA LYS A 30 16.944 8.558 33.305 1.00 87.27 H new ATOM 0 HB2 LYS A 30 19.437 7.253 32.148 1.00138.97 H new ATOM 0 HB3 LYS A 30 18.762 6.713 33.672 1.00138.97 H new ATOM 0 HG2 LYS A 30 16.520 6.397 32.519 1.00224.62 H new ATOM 0 HG3 LYS A 30 17.274 6.832 30.998 1.00224.62 H new ATOM 0 HD2 LYS A 30 18.695 4.892 31.004 1.00316.27 H new ATOM 0 HD3 LYS A 30 18.455 4.610 32.717 1.00316.27 H new ATOM 0 HE2 LYS A 30 16.002 4.133 32.252 1.00572.53 H new ATOM 0 HE3 LYS A 30 16.323 4.311 30.538 1.00572.53 H new ATOM 0 HZ1 LYS A 30 16.438 1.989 31.215 1.00870.34 H new ATOM 0 HZ2 LYS A 30 17.963 2.517 30.687 1.00870.34 H new ATOM 0 HZ3 LYS A 30 17.652 2.345 32.347 1.00870.34 H new ATOM 403 N LYS A 31 19.763 10.117 33.757 1.00 90.17 N ATOM 404 CA LYS A 31 20.597 10.786 34.761 1.00108.80 C ATOM 405 C LYS A 31 20.177 12.242 34.922 1.00122.62 C ATOM 406 O LYS A 31 20.959 13.073 35.381 1.00168.42 O ATOM 407 CB LYS A 31 22.073 10.730 34.365 1.00163.16 C ATOM 408 CG LYS A 31 22.537 9.274 34.302 1.00250.60 C ATOM 409 CD LYS A 31 24.067 9.229 34.242 1.00342.67 C ATOM 410 CE LYS A 31 24.531 7.835 33.814 1.00630.60 C ATOM 411 NZ LYS A 31 25.956 7.646 34.209 1.00892.32 N ATOM 0 H LYS A 31 19.978 10.364 32.791 1.00 90.17 H new ATOM 0 HA LYS A 31 20.460 10.263 35.708 1.00108.80 H new ATOM 0 HB2 LYS A 31 22.218 11.210 33.397 1.00163.16 H new ATOM 0 HB3 LYS A 31 22.674 11.282 35.087 1.00163.16 H new ATOM 0 HG2 LYS A 31 22.180 8.729 35.176 1.00250.60 H new ATOM 0 HG3 LYS A 31 22.113 8.783 33.426 1.00250.60 H new ATOM 0 HD2 LYS A 31 24.434 9.976 33.538 1.00342.67 H new ATOM 0 HD3 LYS A 31 24.485 9.477 35.217 1.00342.67 H new ATOM 0 HE2 LYS A 31 23.908 7.073 34.282 1.00630.60 H new ATOM 0 HE3 LYS A 31 24.422 7.718 32.736 1.00630.60 H new ATOM 0 HZ1 LYS A 31 26.274 6.699 33.919 1.00892.32 H new ATOM 0 HZ2 LYS A 31 26.544 8.366 33.743 1.00892.32 H new ATOM 0 HZ3 LYS A 31 26.046 7.741 35.241 1.00892.32 H new ATOM 425 N LYS A 32 18.937 12.544 34.539 1.00132.61 N ATOM 426 CA LYS A 32 18.419 13.908 34.645 1.00213.69 C ATOM 427 C LYS A 32 18.894 14.563 35.940 1.00463.18 C ATOM 428 O LYS A 32 19.918 15.225 35.904 1.00794.26 O ATOM 429 CB LYS A 32 16.883 13.887 34.609 1.00353.50 C ATOM 430 CG LYS A 32 16.329 15.311 34.404 1.00572.13 C ATOM 431 CD LYS A 32 16.397 16.140 35.725 1.00966.25 C ATOM 432 CE LYS A 32 17.511 17.208 35.659 1.00999.99 C ATOM 433 NZ LYS A 32 16.937 18.489 35.161 1.00999.99 N ATOM 0 H LYS A 32 18.276 11.868 34.155 1.00132.61 H new ATOM 0 HA LYS A 32 18.794 14.488 33.802 1.00213.69 H new ATOM 0 HB2 LYS A 32 16.541 13.238 33.803 1.00353.50 H new ATOM 0 HB3 LYS A 32 16.497 13.471 35.539 1.00353.50 H new ATOM 0 HG2 LYS A 32 16.899 15.817 33.625 1.00572.13 H new ATOM 0 HG3 LYS A 32 15.296 15.256 34.059 1.00572.13 H new ATOM 0 HD2 LYS A 32 15.437 16.623 35.904 1.00966.25 H new ATOM 0 HD3 LYS A 32 16.579 15.472 36.567 1.00966.25 H new ATOM 0 HE2 LYS A 32 17.951 17.353 36.646 1.00999.99 H new ATOM 0 HE3 LYS A 32 18.312 16.874 34.999 1.00999.99 H new ATOM 0 HZ1 LYS A 32 17.685 19.210 35.116 1.00999.99 H new ATOM 0 HZ2 LYS A 32 16.537 18.345 34.212 1.00999.99 H new ATOM 0 HZ3 LYS A 32 16.187 18.808 35.807 1.00999.99 H new TER 447 LYS A 32 ATOM 448 N LYS B 5 -6.909 -1.286 4.316 1.00269.72 N ATOM 449 CA LYS B 5 -5.434 -1.486 4.322 1.00170.74 C ATOM 450 C LYS B 5 -4.865 -1.022 5.660 1.00144.09 C ATOM 451 O LYS B 5 -3.785 -0.435 5.721 1.00133.52 O ATOM 452 CB LYS B 5 -4.808 -0.686 3.170 1.00295.93 C ATOM 453 CG LYS B 5 -5.296 -1.245 1.804 1.00395.29 C ATOM 454 CD LYS B 5 -4.102 -1.531 0.884 1.00564.92 C ATOM 455 CE LYS B 5 -4.601 -2.074 -0.454 1.00736.27 C ATOM 456 NZ LYS B 5 -3.433 -2.410 -1.316 1.00957.99 N ATOM 0 HA LYS B 5 -5.202 -2.542 4.187 1.00170.74 H new ATOM 0 HB2 LYS B 5 -5.078 0.366 3.259 1.00295.93 H new ATOM 0 HB3 LYS B 5 -3.721 -0.742 3.227 1.00295.93 H new ATOM 0 HG2 LYS B 5 -5.868 -2.159 1.962 1.00395.29 H new ATOM 0 HG3 LYS B 5 -5.965 -0.528 1.329 1.00395.29 H new ATOM 0 HD2 LYS B 5 -3.526 -0.619 0.725 1.00564.92 H new ATOM 0 HD3 LYS B 5 -3.433 -2.252 1.354 1.00564.92 H new ATOM 0 HE2 LYS B 5 -5.216 -2.960 -0.294 1.00736.27 H new ATOM 0 HE3 LYS B 5 -5.231 -1.334 -0.948 1.00736.27 H new ATOM 0 HZ1 LYS B 5 -3.770 -2.780 -2.228 1.00957.99 H new ATOM 0 HZ2 LYS B 5 -2.864 -1.555 -1.478 1.00957.99 H new ATOM 0 HZ3 LYS B 5 -2.849 -3.130 -0.844 1.00957.99 H new ATOM 469 N GLY B 6 -5.607 -1.295 6.728 1.00154.69 N ATOM 470 CA GLY B 6 -5.185 -0.913 8.072 1.00165.68 C ATOM 471 C GLY B 6 -4.050 -1.802 8.568 1.00112.47 C ATOM 472 O GLY B 6 -3.332 -1.451 9.500 1.00130.76 O ATOM 0 H GLY B 6 -6.504 -1.779 6.690 1.00154.69 H new ATOM 0 HA2 GLY B 6 -4.862 0.128 8.072 1.00165.68 H new ATOM 0 HA3 GLY B 6 -6.031 -0.984 8.755 1.00165.68 H new ATOM 476 N ALA B 7 -3.904 -2.964 7.954 1.00 71.79 N ATOM 477 CA ALA B 7 -2.856 -3.891 8.356 1.00 57.89 C ATOM 478 C ALA B 7 -1.473 -3.283 8.116 1.00 41.13 C ATOM 479 O ALA B 7 -0.541 -3.518 8.885 1.00 49.60 O ATOM 480 CB ALA B 7 -2.987 -5.197 7.572 1.00 58.09 C ATOM 0 H ALA B 7 -4.490 -3.287 7.184 1.00 71.79 H new ATOM 0 HA ALA B 7 -2.967 -4.094 9.421 1.00 57.89 H new ATOM 0 HB1 ALA B 7 -2.200 -5.886 7.878 1.00 58.09 H new ATOM 0 HB2 ALA B 7 -3.960 -5.646 7.773 1.00 58.09 H new ATOM 0 HB3 ALA B 7 -2.895 -4.992 6.505 1.00 58.09 H new ATOM 486 N ILE B 8 -1.345 -2.514 7.036 1.00 34.17 N ATOM 487 CA ILE B 8 -0.065 -1.892 6.696 1.00 34.48 C ATOM 488 C ILE B 8 0.378 -0.884 7.760 1.00 30.52 C ATOM 489 O ILE B 8 1.501 -0.960 8.257 1.00 35.64 O ATOM 490 CB ILE B 8 -0.189 -1.201 5.326 1.00 51.05 C ATOM 491 CG1 ILE B 8 -0.104 -2.257 4.205 1.00 81.41 C ATOM 492 CG2 ILE B 8 0.933 -0.169 5.138 1.00 65.15 C ATOM 493 CD1 ILE B 8 -0.756 -1.723 2.924 1.00202.40 C ATOM 0 H ILE B 8 -2.104 -2.308 6.386 1.00 34.17 H new ATOM 0 HA ILE B 8 0.696 -2.671 6.653 1.00 34.48 H new ATOM 0 HB ILE B 8 -1.150 -0.689 5.281 1.00 51.05 H new ATOM 0 HG12 ILE B 8 0.938 -2.511 4.013 1.00 81.41 H new ATOM 0 HG13 ILE B 8 -0.602 -3.174 4.520 1.00 81.41 H new ATOM 0 HG21 ILE B 8 0.828 0.309 4.164 1.00 65.15 H new ATOM 0 HG22 ILE B 8 0.868 0.586 5.921 1.00 65.15 H new ATOM 0 HG23 ILE B 8 1.900 -0.669 5.195 1.00 65.15 H new ATOM 0 HD11 ILE B 8 -0.690 -2.478 2.140 1.00202.40 H new ATOM 0 HD12 ILE B 8 -1.804 -1.492 3.118 1.00202.40 H new ATOM 0 HD13 ILE B 8 -0.239 -0.819 2.602 1.00202.40 H new ATOM 505 N ILE B 9 -0.495 0.058 8.103 1.00 31.54 N ATOM 506 CA ILE B 9 -0.140 1.056 9.102 1.00 38.45 C ATOM 507 C ILE B 9 0.015 0.385 10.461 1.00 36.85 C ATOM 508 O ILE B 9 0.942 0.678 11.209 1.00 43.70 O ATOM 509 CB ILE B 9 -1.203 2.165 9.158 1.00 57.13 C ATOM 510 CG1 ILE B 9 -0.682 3.349 9.988 1.00 74.94 C ATOM 511 CG2 ILE B 9 -2.483 1.634 9.795 1.00 66.11 C ATOM 512 CD1 ILE B 9 0.379 4.138 9.205 1.00 65.22 C ATOM 0 H ILE B 9 -1.433 0.150 7.713 1.00 31.54 H new ATOM 0 HA ILE B 9 0.809 1.516 8.826 1.00 38.45 H new ATOM 0 HB ILE B 9 -1.414 2.495 8.141 1.00 57.13 H new ATOM 0 HG12 ILE B 9 -1.510 4.007 10.251 1.00 74.94 H new ATOM 0 HG13 ILE B 9 -0.255 2.984 10.922 1.00 74.94 H new ATOM 0 HG21 ILE B 9 -3.229 2.428 9.829 1.00 66.11 H new ATOM 0 HG22 ILE B 9 -2.866 0.802 9.204 1.00 66.11 H new ATOM 0 HG23 ILE B 9 -2.271 1.292 10.808 1.00 66.11 H new ATOM 0 HD11 ILE B 9 0.734 4.971 9.811 1.00 65.22 H new ATOM 0 HD12 ILE B 9 1.216 3.482 8.964 1.00 65.22 H new ATOM 0 HD13 ILE B 9 -0.059 4.521 8.283 1.00 65.22 H new ATOM 524 N GLY B 10 -0.900 -0.526 10.767 1.00 39.14 N ATOM 525 CA GLY B 10 -0.852 -1.235 12.039 1.00 47.86 C ATOM 526 C GLY B 10 0.561 -1.739 12.311 1.00 39.83 C ATOM 527 O GLY B 10 1.097 -1.553 13.403 1.00 50.24 O ATOM 0 H GLY B 10 -1.676 -0.789 10.160 1.00 39.14 H new ATOM 0 HA2 GLY B 10 -1.171 -0.573 12.844 1.00 47.86 H new ATOM 0 HA3 GLY B 10 -1.548 -2.074 12.022 1.00 47.86 H new ATOM 531 N LEU B 11 1.167 -2.362 11.306 1.00 30.54 N ATOM 532 CA LEU B 11 2.520 -2.866 11.437 1.00 28.50 C ATOM 533 C LEU B 11 3.519 -1.709 11.490 1.00 17.66 C ATOM 534 O LEU B 11 4.510 -1.768 12.213 1.00 19.71 O ATOM 535 CB LEU B 11 2.839 -3.806 10.272 1.00 37.45 C ATOM 536 CG LEU B 11 4.093 -4.627 10.593 1.00137.76 C ATOM 537 CD1 LEU B 11 3.838 -5.579 11.783 1.00293.79 C ATOM 538 CD2 LEU B 11 4.489 -5.440 9.354 1.00339.95 C ATOM 0 H LEU B 11 0.739 -2.528 10.395 1.00 30.54 H new ATOM 0 HA LEU B 11 2.602 -3.425 12.369 1.00 28.50 H new ATOM 0 HB2 LEU B 11 1.995 -4.471 10.088 1.00 37.45 H new ATOM 0 HB3 LEU B 11 2.995 -3.229 9.360 1.00 37.45 H new ATOM 0 HG LEU B 11 4.900 -3.948 10.868 1.00137.76 H new ATOM 0 HD11 LEU B 11 4.742 -6.151 11.992 1.00293.79 H new ATOM 0 HD12 LEU B 11 3.566 -4.996 12.663 1.00293.79 H new ATOM 0 HD13 LEU B 11 3.026 -6.262 11.535 1.00293.79 H new ATOM 0 HD21 LEU B 11 5.381 -6.027 9.574 1.00339.95 H new ATOM 0 HD22 LEU B 11 3.672 -6.108 9.081 1.00339.95 H new ATOM 0 HD23 LEU B 11 4.696 -4.763 8.525 1.00339.95 H new ATOM 550 N MET B 12 3.255 -0.660 10.710 1.00 13.41 N ATOM 551 CA MET B 12 4.127 0.498 10.664 1.00 13.83 C ATOM 552 C MET B 12 4.342 1.073 12.060 1.00 15.35 C ATOM 553 O MET B 12 5.473 1.185 12.531 1.00 25.30 O ATOM 554 CB MET B 12 3.455 1.547 9.778 1.00 13.64 C ATOM 555 CG MET B 12 4.433 2.649 9.408 1.00 27.33 C ATOM 556 SD MET B 12 4.617 3.802 10.796 1.00 66.95 S ATOM 557 CE MET B 12 6.424 3.749 10.942 1.00 19.70 C ATOM 0 H MET B 12 2.439 -0.596 10.102 1.00 13.41 H new ATOM 0 HA MET B 12 5.101 0.211 10.266 1.00 13.83 H new ATOM 0 HB2 MET B 12 3.074 1.074 8.873 1.00 13.64 H new ATOM 0 HB3 MET B 12 2.599 1.975 10.299 1.00 13.64 H new ATOM 0 HG2 MET B 12 5.401 2.218 9.151 1.00 27.33 H new ATOM 0 HG3 MET B 12 4.078 3.182 8.526 1.00 27.33 H new ATOM 0 HE1 MET B 12 6.734 4.302 11.829 1.00 19.70 H new ATOM 0 HE2 MET B 12 6.752 2.713 11.028 1.00 19.70 H new ATOM 0 HE3 MET B 12 6.874 4.200 10.057 1.00 19.70 H new ATOM 567 N VAL B 13 3.245 1.438 12.712 1.00 15.06 N ATOM 568 CA VAL B 13 3.305 2.007 14.053 1.00 27.81 C ATOM 569 C VAL B 13 3.797 0.984 15.067 1.00 27.31 C ATOM 570 O VAL B 13 4.201 1.345 16.172 1.00 56.24 O ATOM 571 CB VAL B 13 1.941 2.557 14.472 1.00 45.02 C ATOM 572 CG1 VAL B 13 1.602 3.767 13.592 1.00 49.14 C ATOM 573 CG2 VAL B 13 0.860 1.473 14.320 1.00 50.23 C ATOM 0 H VAL B 13 2.302 1.350 12.334 1.00 15.06 H new ATOM 0 HA VAL B 13 4.019 2.830 14.029 1.00 27.81 H new ATOM 0 HB VAL B 13 1.976 2.862 15.518 1.00 45.02 H new ATOM 0 HG11 VAL B 13 0.631 4.167 13.882 1.00 49.14 H new ATOM 0 HG12 VAL B 13 2.364 4.535 13.721 1.00 49.14 H new ATOM 0 HG13 VAL B 13 1.570 3.459 12.547 1.00 49.14 H new ATOM 0 HG21 VAL B 13 -0.106 1.878 14.622 1.00 50.23 H new ATOM 0 HG22 VAL B 13 0.810 1.152 13.279 1.00 50.23 H new ATOM 0 HG23 VAL B 13 1.109 0.620 14.951 1.00 50.23 H new ATOM 583 N GLY B 14 3.746 -0.296 14.709 1.00 15.53 N ATOM 584 CA GLY B 14 4.201 -1.345 15.616 1.00 17.19 C ATOM 585 C GLY B 14 5.718 -1.526 15.522 1.00 11.09 C ATOM 586 O GLY B 14 6.396 -1.690 16.536 1.00 11.60 O ATOM 0 H GLY B 14 3.399 -0.629 13.809 1.00 15.53 H new ATOM 0 HA2 GLY B 14 3.923 -1.093 16.639 1.00 17.19 H new ATOM 0 HA3 GLY B 14 3.703 -2.283 15.373 1.00 17.19 H new ATOM 590 N GLY B 15 6.243 -1.507 14.294 1.00 9.84 N ATOM 591 CA GLY B 15 7.676 -1.687 14.090 1.00 13.02 C ATOM 592 C GLY B 15 8.462 -0.711 14.955 1.00 11.62 C ATOM 593 O GLY B 15 9.345 -1.108 15.708 1.00 25.14 O ATOM 0 H GLY B 15 5.703 -1.371 13.439 1.00 9.84 H new ATOM 0 HA2 GLY B 15 7.959 -2.710 14.336 1.00 13.02 H new ATOM 0 HA3 GLY B 15 7.923 -1.532 13.040 1.00 13.02 H new ATOM 597 N VAL B 16 8.130 0.567 14.834 1.00 8.06 N ATOM 598 CA VAL B 16 8.817 1.593 15.608 1.00 10.07 C ATOM 599 C VAL B 16 8.941 1.160 17.061 1.00 13.60 C ATOM 600 O VAL B 16 10.031 1.178 17.625 1.00 30.99 O ATOM 601 CB VAL B 16 8.073 2.931 15.516 1.00 10.36 C ATOM 602 CG1 VAL B 16 8.145 3.467 14.084 1.00 10.86 C ATOM 603 CG2 VAL B 16 6.608 2.735 15.903 1.00 16.25 C ATOM 0 H VAL B 16 7.398 0.916 14.215 1.00 8.06 H new ATOM 0 HA VAL B 16 9.816 1.726 15.192 1.00 10.07 H new ATOM 0 HB VAL B 16 8.540 3.643 16.197 1.00 10.36 H new ATOM 0 HG11 VAL B 16 7.615 4.418 14.024 1.00 10.86 H new ATOM 0 HG12 VAL B 16 9.188 3.615 13.803 1.00 10.86 H new ATOM 0 HG13 VAL B 16 7.684 2.751 13.404 1.00 10.86 H new ATOM 0 HG21 VAL B 16 6.083 3.688 15.836 1.00 16.25 H new ATOM 0 HG22 VAL B 16 6.145 2.018 15.225 1.00 16.25 H new ATOM 0 HG23 VAL B 16 6.549 2.359 16.924 1.00 16.25 H new ATOM 613 N VAL B 17 7.831 0.773 17.663 1.00 9.88 N ATOM 614 CA VAL B 17 7.851 0.361 19.057 1.00 15.88 C ATOM 615 C VAL B 17 8.853 -0.773 19.278 1.00 17.04 C ATOM 616 O VAL B 17 9.641 -0.732 20.219 1.00 21.22 O ATOM 617 CB VAL B 17 6.463 -0.119 19.476 1.00 24.55 C ATOM 618 CG1 VAL B 17 6.522 -0.621 20.918 1.00 35.55 C ATOM 619 CG2 VAL B 17 5.461 1.035 19.373 1.00 26.48 C ATOM 0 H VAL B 17 6.915 0.735 17.217 1.00 9.88 H new ATOM 0 HA VAL B 17 8.148 1.220 19.658 1.00 15.88 H new ATOM 0 HB VAL B 17 6.142 -0.927 18.818 1.00 24.55 H new ATOM 0 HG11 VAL B 17 5.534 -0.965 21.224 1.00 35.55 H new ATOM 0 HG12 VAL B 17 7.231 -1.446 20.987 1.00 35.55 H new ATOM 0 HG13 VAL B 17 6.843 0.189 21.573 1.00 35.55 H new ATOM 0 HG21 VAL B 17 4.473 0.687 19.673 1.00 26.48 H new ATOM 0 HG22 VAL B 17 5.774 1.848 20.028 1.00 26.48 H new ATOM 0 HG23 VAL B 17 5.423 1.393 18.344 1.00 26.48 H new ATOM 629 N ILE B 18 8.827 -1.774 18.405 1.00 16.91 N ATOM 630 CA ILE B 18 9.758 -2.892 18.546 1.00 22.67 C ATOM 631 C ILE B 18 11.192 -2.390 18.386 1.00 21.70 C ATOM 632 O ILE B 18 12.075 -2.720 19.176 1.00 26.71 O ATOM 633 CB ILE B 18 9.459 -3.976 17.507 1.00 25.26 C ATOM 634 CG1 ILE B 18 8.086 -4.589 17.808 1.00 29.08 C ATOM 635 CG2 ILE B 18 10.532 -5.070 17.581 1.00 32.89 C ATOM 636 CD1 ILE B 18 7.693 -5.568 16.697 1.00142.35 C ATOM 0 H ILE B 18 8.190 -1.837 17.611 1.00 16.91 H new ATOM 0 HA ILE B 18 9.638 -3.327 19.538 1.00 22.67 H new ATOM 0 HB ILE B 18 9.460 -3.538 16.509 1.00 25.26 H new ATOM 0 HG12 ILE B 18 8.112 -5.106 18.767 1.00 29.08 H new ATOM 0 HG13 ILE B 18 7.337 -3.801 17.891 1.00 29.08 H new ATOM 0 HG21 ILE B 18 10.317 -5.841 16.841 1.00 32.89 H new ATOM 0 HG22 ILE B 18 11.510 -4.634 17.378 1.00 32.89 H new ATOM 0 HG23 ILE B 18 10.532 -5.513 18.577 1.00 32.89 H new ATOM 0 HD11 ILE B 18 6.717 -5.998 16.920 1.00142.35 H new ATOM 0 HD12 ILE B 18 7.648 -5.039 15.745 1.00142.35 H new ATOM 0 HD13 ILE B 18 8.435 -6.364 16.635 1.00142.35 H new ATOM 648 N ALA B 19 11.407 -1.594 17.349 1.00 17.54 N ATOM 649 CA ALA B 19 12.731 -1.050 17.076 1.00 19.08 C ATOM 650 C ALA B 19 13.260 -0.317 18.304 1.00 19.87 C ATOM 651 O ALA B 19 14.441 -0.413 18.637 1.00 25.02 O ATOM 652 CB ALA B 19 12.670 -0.089 15.887 1.00 17.95 C ATOM 0 H ALA B 19 10.686 -1.311 16.685 1.00 17.54 H new ATOM 0 HA ALA B 19 13.404 -1.873 16.835 1.00 19.08 H new ATOM 0 HB1 ALA B 19 13.665 0.312 15.692 1.00 17.95 H new ATOM 0 HB2 ALA B 19 12.314 -0.623 15.006 1.00 17.95 H new ATOM 0 HB3 ALA B 19 11.988 0.730 16.115 1.00 17.95 H new ATOM 658 N THR B 20 12.376 0.413 18.974 1.00 17.30 N ATOM 659 CA THR B 20 12.756 1.163 20.170 1.00 18.88 C ATOM 660 C THR B 20 13.052 0.227 21.329 1.00 18.05 C ATOM 661 O THR B 20 13.711 0.616 22.287 1.00 18.23 O ATOM 662 CB THR B 20 11.618 2.105 20.587 1.00 21.24 C ATOM 663 OG1 THR B 20 10.540 1.328 21.092 1.00129.97 O ATOM 664 CG2 THR B 20 11.111 2.940 19.396 1.00 59.18 C ATOM 0 H THR B 20 11.394 0.503 18.712 1.00 17.30 H new ATOM 0 HA THR B 20 13.652 1.736 19.929 1.00 18.88 H new ATOM 0 HB THR B 20 12.000 2.787 21.347 1.00 21.24 H new ATOM 0 HG1 THR B 20 10.537 0.450 20.656 1.00129.97 H new ATOM 0 HG21 THR B 20 10.306 3.595 19.728 1.00 59.18 H new ATOM 0 HG22 THR B 20 11.929 3.542 18.999 1.00 59.18 H new ATOM 0 HG23 THR B 20 10.739 2.274 18.617 1.00 59.18 H new ATOM 672 N MET B 21 12.557 -1.000 21.256 1.00 19.35 N ATOM 673 CA MET B 21 12.793 -1.959 22.328 1.00 21.38 C ATOM 674 C MET B 21 14.154 -2.626 22.169 1.00 24.25 C ATOM 675 O MET B 21 14.812 -2.939 23.162 1.00 27.70 O ATOM 676 CB MET B 21 11.689 -3.020 22.347 1.00 23.80 C ATOM 677 CG MET B 21 10.392 -2.415 22.902 1.00 24.33 C ATOM 678 SD MET B 21 10.602 -1.980 24.652 1.00113.52 S ATOM 679 CE MET B 21 10.485 -0.178 24.479 1.00 32.54 C ATOM 0 H MET B 21 11.998 -1.352 20.479 1.00 19.35 H new ATOM 0 HA MET B 21 12.781 -1.418 23.274 1.00 21.38 H new ATOM 0 HB2 MET B 21 11.521 -3.400 21.339 1.00 23.80 H new ATOM 0 HB3 MET B 21 11.997 -3.867 22.960 1.00 23.80 H new ATOM 0 HG2 MET B 21 10.122 -1.528 22.329 1.00 24.33 H new ATOM 0 HG3 MET B 21 9.574 -3.127 22.792 1.00 24.33 H new ATOM 0 HE1 MET B 21 10.833 0.299 25.395 1.00 32.54 H new ATOM 0 HE2 MET B 21 11.103 0.148 23.643 1.00 32.54 H new ATOM 0 HE3 MET B 21 9.448 0.103 24.295 1.00 32.54 H new ATOM 689 N ILE B 22 14.578 -2.860 20.927 1.00 25.57 N ATOM 690 CA ILE B 22 15.863 -3.507 20.685 1.00 31.01 C ATOM 691 C ILE B 22 17.019 -2.623 21.151 1.00 20.60 C ATOM 692 O ILE B 22 17.959 -3.100 21.772 1.00 20.67 O ATOM 693 CB ILE B 22 16.010 -3.800 19.189 1.00 42.04 C ATOM 694 CG1 ILE B 22 14.964 -4.840 18.773 1.00 59.50 C ATOM 695 CG2 ILE B 22 17.411 -4.354 18.910 1.00 50.89 C ATOM 696 CD1 ILE B 22 14.912 -4.944 17.246 1.00 73.86 C ATOM 0 H ILE B 22 14.057 -2.614 20.085 1.00 25.57 H new ATOM 0 HA ILE B 22 15.895 -4.438 21.252 1.00 31.01 H new ATOM 0 HB ILE B 22 15.863 -2.881 18.622 1.00 42.04 H new ATOM 0 HG12 ILE B 22 15.211 -5.810 19.204 1.00 59.50 H new ATOM 0 HG13 ILE B 22 13.985 -4.559 19.161 1.00 59.50 H new ATOM 0 HG21 ILE B 22 17.515 -4.562 17.845 1.00 50.89 H new ATOM 0 HG22 ILE B 22 18.159 -3.620 19.211 1.00 50.89 H new ATOM 0 HG23 ILE B 22 17.558 -5.274 19.475 1.00 50.89 H new ATOM 0 HD11 ILE B 22 14.167 -5.685 16.957 1.00 73.86 H new ATOM 0 HD12 ILE B 22 14.643 -3.975 16.824 1.00 73.86 H new ATOM 0 HD13 ILE B 22 15.889 -5.246 16.868 1.00 73.86 H new ATOM 708 N VAL B 23 16.960 -1.338 20.826 1.00 14.03 N ATOM 709 CA VAL B 23 18.035 -0.423 21.209 1.00 9.17 C ATOM 710 C VAL B 23 18.169 -0.348 22.726 1.00 5.42 C ATOM 711 O VAL B 23 19.277 -0.253 23.253 1.00 6.60 O ATOM 712 CB VAL B 23 17.786 0.976 20.624 1.00 11.84 C ATOM 713 CG1 VAL B 23 17.868 0.931 19.075 1.00 28.73 C ATOM 714 CG2 VAL B 23 16.402 1.489 21.068 1.00 12.86 C ATOM 0 H VAL B 23 16.194 -0.908 20.307 1.00 14.03 H new ATOM 0 HA VAL B 23 18.970 -0.809 20.802 1.00 9.17 H new ATOM 0 HB VAL B 23 18.553 1.657 20.994 1.00 11.84 H new ATOM 0 HG11 VAL B 23 17.690 1.928 18.672 1.00 28.73 H new ATOM 0 HG12 VAL B 23 18.858 0.589 18.773 1.00 28.73 H new ATOM 0 HG13 VAL B 23 17.114 0.244 18.691 1.00 28.73 H new ATOM 0 HG21 VAL B 23 16.231 2.481 20.650 1.00 12.86 H new ATOM 0 HG22 VAL B 23 15.630 0.807 20.712 1.00 12.86 H new ATOM 0 HG23 VAL B 23 16.366 1.542 22.156 1.00 12.86 H new ATOM 724 N ILE B 24 17.046 -0.416 23.430 1.00 7.62 N ATOM 725 CA ILE B 24 17.084 -0.382 24.893 1.00 12.85 C ATOM 726 C ILE B 24 18.132 -1.379 25.407 1.00 15.75 C ATOM 727 O ILE B 24 18.658 -1.221 26.507 1.00 36.90 O ATOM 728 CB ILE B 24 15.672 -0.701 25.466 1.00 25.71 C ATOM 729 CG1 ILE B 24 14.963 0.600 25.894 1.00 24.27 C ATOM 730 CG2 ILE B 24 15.752 -1.637 26.684 1.00102.81 C ATOM 731 CD1 ILE B 24 15.030 1.656 24.777 1.00 19.65 C ATOM 0 H ILE B 24 16.113 -0.494 23.025 1.00 7.62 H new ATOM 0 HA ILE B 24 17.368 0.615 25.230 1.00 12.85 H new ATOM 0 HB ILE B 24 15.109 -1.197 24.675 1.00 25.71 H new ATOM 0 HG12 ILE B 24 13.922 0.388 26.137 1.00 24.27 H new ATOM 0 HG13 ILE B 24 15.428 0.992 26.798 1.00 24.27 H new ATOM 0 HG21 ILE B 24 14.747 -1.837 27.056 1.00102.81 H new ATOM 0 HG22 ILE B 24 16.224 -2.575 26.392 1.00102.81 H new ATOM 0 HG23 ILE B 24 16.342 -1.163 27.469 1.00102.81 H new ATOM 0 HD11 ILE B 24 14.523 2.564 25.104 1.00 19.65 H new ATOM 0 HD12 ILE B 24 16.072 1.883 24.553 1.00 19.65 H new ATOM 0 HD13 ILE B 24 14.542 1.270 23.882 1.00 19.65 H new ATOM 743 N THR B 25 18.452 -2.381 24.591 1.00 17.31 N ATOM 744 CA THR B 25 19.468 -3.367 24.972 1.00 20.56 C ATOM 745 C THR B 25 20.855 -2.794 24.673 1.00 16.19 C ATOM 746 O THR B 25 21.753 -2.836 25.514 1.00 20.93 O ATOM 747 CB THR B 25 19.218 -4.704 24.233 1.00 35.02 C ATOM 748 OG1 THR B 25 18.604 -5.617 25.130 1.00 77.30 O ATOM 749 CG2 THR B 25 20.521 -5.317 23.699 1.00116.39 C ATOM 0 H THR B 25 18.031 -2.533 23.674 1.00 17.31 H new ATOM 0 HA THR B 25 19.409 -3.577 26.040 1.00 20.56 H new ATOM 0 HB THR B 25 18.571 -4.504 23.379 1.00 35.02 H new ATOM 0 HG1 THR B 25 18.440 -6.467 24.670 1.00 77.30 H new ATOM 0 HG21 THR B 25 20.300 -6.254 23.188 1.00116.39 H new ATOM 0 HG22 THR B 25 20.989 -4.624 23.000 1.00116.39 H new ATOM 0 HG23 THR B 25 21.200 -5.509 24.530 1.00116.39 H new ATOM 757 N LEU B 26 21.009 -2.247 23.474 1.00 24.60 N ATOM 758 CA LEU B 26 22.272 -1.649 23.060 1.00 43.87 C ATOM 759 C LEU B 26 22.781 -0.721 24.164 1.00 50.64 C ATOM 760 O LEU B 26 23.977 -0.649 24.443 1.00 67.23 O ATOM 761 CB LEU B 26 22.024 -0.881 21.750 1.00 68.77 C ATOM 762 CG LEU B 26 23.244 -0.045 21.322 1.00122.38 C ATOM 763 CD1 LEU B 26 23.383 1.232 22.184 1.00131.46 C ATOM 764 CD2 LEU B 26 24.522 -0.902 21.397 1.00155.23 C ATOM 0 H LEU B 26 20.273 -2.205 22.769 1.00 24.60 H new ATOM 0 HA LEU B 26 23.033 -2.411 22.891 1.00 43.87 H new ATOM 0 HB2 LEU B 26 21.775 -1.588 20.959 1.00 68.77 H new ATOM 0 HB3 LEU B 26 21.162 -0.225 21.874 1.00 68.77 H new ATOM 0 HG LEU B 26 23.096 0.275 20.290 1.00122.38 H new ATOM 0 HD11 LEU B 26 24.254 1.799 21.856 1.00131.46 H new ATOM 0 HD12 LEU B 26 22.488 1.845 22.074 1.00131.46 H new ATOM 0 HD13 LEU B 26 23.505 0.953 23.231 1.00131.46 H new ATOM 0 HD21 LEU B 26 25.380 -0.303 21.093 1.00155.23 H new ATOM 0 HD22 LEU B 26 24.667 -1.250 22.420 1.00155.23 H new ATOM 0 HD23 LEU B 26 24.424 -1.760 20.732 1.00155.23 H new ATOM 776 N VAL B 27 21.854 -0.049 24.821 1.00 50.94 N ATOM 777 CA VAL B 27 22.210 0.842 25.921 1.00 84.31 C ATOM 778 C VAL B 27 22.833 0.046 27.067 1.00 78.29 C ATOM 779 O VAL B 27 24.001 0.220 27.397 1.00123.06 O ATOM 780 CB VAL B 27 20.948 1.552 26.417 1.00107.08 C ATOM 781 CG1 VAL B 27 21.269 2.380 27.668 1.00156.82 C ATOM 782 CG2 VAL B 27 20.404 2.469 25.308 1.00118.28 C ATOM 0 H VAL B 27 20.856 -0.099 24.618 1.00 50.94 H new ATOM 0 HA VAL B 27 22.936 1.575 25.569 1.00 84.31 H new ATOM 0 HB VAL B 27 20.194 0.807 26.671 1.00107.08 H new ATOM 0 HG11 VAL B 27 20.365 2.882 28.014 1.00156.82 H new ATOM 0 HG12 VAL B 27 21.643 1.723 28.453 1.00156.82 H new ATOM 0 HG13 VAL B 27 22.028 3.125 27.427 1.00156.82 H new ATOM 0 HG21 VAL B 27 19.505 2.974 25.662 1.00118.28 H new ATOM 0 HG22 VAL B 27 21.158 3.211 25.047 1.00118.28 H new ATOM 0 HG23 VAL B 27 20.162 1.872 24.428 1.00118.28 H new ATOM 792 N MET B 28 22.027 -0.811 27.675 1.00 55.72 N ATOM 793 CA MET B 28 22.487 -1.626 28.797 1.00 71.87 C ATOM 794 C MET B 28 23.818 -2.294 28.470 1.00 50.00 C ATOM 795 O MET B 28 24.605 -2.599 29.366 1.00 58.55 O ATOM 796 CB MET B 28 21.443 -2.688 29.142 1.00 94.42 C ATOM 797 CG MET B 28 20.097 -2.010 29.407 1.00139.87 C ATOM 798 SD MET B 28 18.842 -3.267 29.766 1.00414.60 S ATOM 799 CE MET B 28 19.464 -3.778 31.389 1.00481.58 C ATOM 0 H MET B 28 21.053 -0.962 27.414 1.00 55.72 H new ATOM 0 HA MET B 28 22.629 -0.972 29.657 1.00 71.87 H new ATOM 0 HB2 MET B 28 21.349 -3.401 28.323 1.00 94.42 H new ATOM 0 HB3 MET B 28 21.758 -3.252 30.020 1.00 94.42 H new ATOM 0 HG2 MET B 28 20.185 -1.320 30.246 1.00139.87 H new ATOM 0 HG3 MET B 28 19.798 -1.421 28.540 1.00139.87 H new ATOM 0 HE1 MET B 28 18.650 -4.211 31.971 1.00481.58 H new ATOM 0 HE2 MET B 28 20.252 -4.520 31.260 1.00481.58 H new ATOM 0 HE3 MET B 28 19.864 -2.911 31.915 1.00481.58 H new ATOM 809 N LEU B 29 24.066 -2.521 27.185 1.00 33.30 N ATOM 810 CA LEU B 29 25.311 -3.153 26.762 1.00 31.08 C ATOM 811 C LEU B 29 26.482 -2.177 26.849 1.00 31.90 C ATOM 812 O LEU B 29 27.638 -2.593 26.886 1.00 34.41 O ATOM 813 CB LEU B 29 25.176 -3.679 25.327 1.00 36.79 C ATOM 814 CG LEU B 29 24.336 -4.967 25.314 1.00 59.34 C ATOM 815 CD1 LEU B 29 24.015 -5.342 23.864 1.00 80.06 C ATOM 816 CD2 LEU B 29 25.107 -6.123 25.994 1.00 95.14 C ATOM 0 H LEU B 29 23.430 -2.280 26.425 1.00 33.30 H new ATOM 0 HA LEU B 29 25.510 -3.987 27.435 1.00 31.08 H new ATOM 0 HB2 LEU B 29 24.707 -2.923 24.697 1.00 36.79 H new ATOM 0 HB3 LEU B 29 26.163 -3.875 24.909 1.00 36.79 H new ATOM 0 HG LEU B 29 23.412 -4.796 25.866 1.00 59.34 H new ATOM 0 HD11 LEU B 29 23.419 -6.255 23.848 1.00 80.06 H new ATOM 0 HD12 LEU B 29 23.454 -4.534 23.395 1.00 80.06 H new ATOM 0 HD13 LEU B 29 24.943 -5.505 23.316 1.00 80.06 H new ATOM 0 HD21 LEU B 29 24.498 -7.027 25.976 1.00 95.14 H new ATOM 0 HD22 LEU B 29 26.039 -6.303 25.459 1.00 95.14 H new ATOM 0 HD23 LEU B 29 25.328 -5.855 27.027 1.00 95.14 H new ATOM 828 N LYS B 30 26.189 -0.882 26.875 1.00 60.24 N ATOM 829 CA LYS B 30 27.250 0.117 26.953 1.00 87.27 C ATOM 830 C LYS B 30 28.207 -0.197 28.099 1.00 88.12 C ATOM 831 O LYS B 30 29.356 0.247 28.089 1.00 97.47 O ATOM 832 CB LYS B 30 26.669 1.524 27.152 1.00139.14 C ATOM 833 CG LYS B 30 26.094 2.044 25.830 1.00224.89 C ATOM 834 CD LYS B 30 25.613 3.490 26.012 1.00317.00 C ATOM 835 CE LYS B 30 25.479 4.166 24.645 1.00573.50 C ATOM 836 NZ LYS B 30 25.113 5.598 24.833 1.00870.37 N ATOM 0 H LYS B 30 25.243 -0.503 26.844 1.00 60.24 H new ATOM 0 HA LYS B 30 27.795 0.087 26.010 1.00 87.27 H new ATOM 0 HB2 LYS B 30 25.889 1.500 27.913 1.00139.14 H new ATOM 0 HB3 LYS B 30 27.445 2.200 27.512 1.00139.14 H new ATOM 0 HG2 LYS B 30 26.853 1.998 25.049 1.00224.89 H new ATOM 0 HG3 LYS B 30 25.266 1.412 25.508 1.00224.89 H new ATOM 0 HD2 LYS B 30 24.654 3.502 26.530 1.00317.00 H new ATOM 0 HD3 LYS B 30 26.318 4.042 26.634 1.00317.00 H new ATOM 0 HE2 LYS B 30 26.417 4.088 24.095 1.00573.50 H new ATOM 0 HE3 LYS B 30 24.718 3.660 24.050 1.00573.50 H new ATOM 0 HZ1 LYS B 30 25.022 6.058 23.905 1.00870.37 H new ATOM 0 HZ2 LYS B 30 24.208 5.661 25.341 1.00870.37 H new ATOM 0 HZ3 LYS B 30 25.854 6.076 25.385 1.00870.37 H new ATOM 850 N LYS B 31 27.741 -0.966 29.086 1.00 89.90 N ATOM 851 CA LYS B 31 28.588 -1.328 30.228 1.00108.51 C ATOM 852 C LYS B 31 29.045 -2.778 30.116 1.00122.30 C ATOM 853 O LYS B 31 29.404 -3.401 31.115 1.00167.98 O ATOM 854 CB LYS B 31 27.834 -1.139 31.546 1.00162.80 C ATOM 855 CG LYS B 31 27.461 0.333 31.720 1.00250.87 C ATOM 856 CD LYS B 31 27.016 0.577 33.166 1.00342.39 C ATOM 857 CE LYS B 31 26.300 1.926 33.271 1.00630.52 C ATOM 858 NZ LYS B 31 26.300 2.375 34.693 1.00889.68 N ATOM 0 H LYS B 31 26.795 -1.346 29.120 1.00 89.90 H new ATOM 0 HA LYS B 31 29.458 -0.672 30.217 1.00108.51 H new ATOM 0 HB2 LYS B 31 26.935 -1.755 31.553 1.00162.80 H new ATOM 0 HB3 LYS B 31 28.453 -1.468 32.381 1.00162.80 H new ATOM 0 HG2 LYS B 31 28.314 0.967 31.478 1.00250.87 H new ATOM 0 HG3 LYS B 31 26.660 0.601 31.031 1.00250.87 H new ATOM 0 HD2 LYS B 31 26.351 -0.223 33.491 1.00342.39 H new ATOM 0 HD3 LYS B 31 27.881 0.562 33.829 1.00342.39 H new ATOM 0 HE2 LYS B 31 26.799 2.665 32.644 1.00630.52 H new ATOM 0 HE3 LYS B 31 25.277 1.837 32.906 1.00630.52 H new ATOM 0 HZ1 LYS B 31 25.814 3.291 34.768 1.00889.68 H new ATOM 0 HZ2 LYS B 31 25.806 1.672 35.279 1.00889.68 H new ATOM 0 HZ3 LYS B 31 27.280 2.475 35.026 1.00889.68 H new ATOM 872 N LYS B 32 29.027 -3.310 28.895 1.00132.48 N ATOM 873 CA LYS B 32 29.442 -4.693 28.661 1.00213.86 C ATOM 874 C LYS B 32 30.656 -5.040 29.521 1.00464.28 C ATOM 875 O LYS B 32 30.457 -5.552 30.611 1.00795.86 O ATOM 876 CB LYS B 32 29.787 -4.890 27.177 1.00353.59 C ATOM 877 CG LYS B 32 29.922 -6.391 26.849 1.00572.02 C ATOM 878 CD LYS B 32 31.284 -6.960 27.355 1.00965.98 C ATOM 879 CE LYS B 32 31.090 -7.859 28.596 1.00999.99 C ATOM 880 NZ LYS B 32 30.930 -9.273 28.159 1.00999.99 N ATOM 0 H LYS B 32 28.732 -2.809 28.057 1.00132.48 H new ATOM 0 HA LYS B 32 28.619 -5.354 28.933 1.00213.86 H new ATOM 0 HB2 LYS B 32 29.011 -4.444 26.555 1.00353.59 H new ATOM 0 HB3 LYS B 32 30.719 -4.375 26.943 1.00353.59 H new ATOM 0 HG2 LYS B 32 29.102 -6.942 27.309 1.00572.02 H new ATOM 0 HG3 LYS B 32 29.841 -6.539 25.772 1.00572.02 H new ATOM 0 HD2 LYS B 32 31.760 -7.533 26.559 1.00965.98 H new ATOM 0 HD3 LYS B 32 31.956 -6.137 27.601 1.00965.98 H new ATOM 0 HE2 LYS B 32 31.947 -7.767 29.263 1.00999.99 H new ATOM 0 HE3 LYS B 32 30.213 -7.538 29.158 1.00999.99 H new ATOM 0 HZ1 LYS B 32 30.799 -9.881 28.992 1.00999.99 H new ATOM 0 HZ2 LYS B 32 30.099 -9.353 27.538 1.00999.99 H new ATOM 0 HZ3 LYS B 32 31.780 -9.574 27.641 1.00999.99 H new TER 894 LYS B 32