USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 656 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 1 MET CE :methyl 158:sc= -0.046 (180deg=-0.741) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0771) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00765 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 140:sc= 1.03 USER MOD Single : A 27 SER OG : rot 57:sc= 0.342 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.763 K(o=-0.76,f=-0.14) USER MOD Single : A 42 THR OG1 : rot -164:sc= 0.773 USER MOD Single : A 49 MET CE :methyl -124:sc= -0.121 (180deg=-3.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.411 K(o=0.41,f=-4.6!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.573 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.1) USER MOD Single : A 78 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.981 26.258 17.568 1.00 0.00 N ATOM 2 CA MET A 1 11.928 25.261 16.991 1.00 0.00 C ATOM 3 C MET A 1 12.575 24.440 18.110 1.00 0.00 C ATOM 4 O MET A 1 13.285 24.962 18.945 1.00 0.00 O ATOM 5 CB MET A 1 12.981 26.092 16.258 1.00 0.00 C ATOM 6 CG MET A 1 13.600 25.258 15.135 1.00 0.00 C ATOM 7 SD MET A 1 14.598 26.325 14.069 1.00 0.00 S ATOM 8 CE MET A 1 15.901 26.684 15.271 1.00 0.00 C ATOM 0 H1 MET A 1 10.547 26.810 16.800 1.00 0.00 H new ATOM 0 H2 MET A 1 10.238 25.763 18.101 1.00 0.00 H new ATOM 0 H3 MET A 1 11.496 26.898 18.206 1.00 0.00 H new ATOM 0 HA MET A 1 11.431 24.556 16.325 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.527 26.994 15.847 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.755 26.414 16.955 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.219 24.465 15.555 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.816 24.775 14.552 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.805 26.992 14.746 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.574 27.486 15.933 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.110 25.790 15.859 1.00 0.00 H new ATOM 20 N LYS A 2 12.333 23.158 18.131 1.00 0.00 N ATOM 21 CA LYS A 2 12.934 22.302 19.196 1.00 0.00 C ATOM 22 C LYS A 2 12.617 22.878 20.580 1.00 0.00 C ATOM 23 O LYS A 2 13.498 23.113 21.382 1.00 0.00 O ATOM 24 CB LYS A 2 14.439 22.339 18.933 1.00 0.00 C ATOM 25 CG LYS A 2 15.113 21.161 19.642 1.00 0.00 C ATOM 26 CD LYS A 2 16.405 20.796 18.909 1.00 0.00 C ATOM 27 CE LYS A 2 17.092 19.632 19.629 1.00 0.00 C ATOM 28 NZ LYS A 2 17.277 18.588 18.582 1.00 0.00 N ATOM 0 H LYS A 2 11.746 22.665 17.458 1.00 0.00 H new ATOM 0 HA LYS A 2 12.542 21.285 19.178 1.00 0.00 H new ATOM 0 HB2 LYS A 2 14.632 22.291 17.861 1.00 0.00 H new ATOM 0 HB3 LYS A 2 14.858 23.280 19.290 1.00 0.00 H new ATOM 0 HG2 LYS A 2 15.331 21.423 20.677 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.441 20.303 19.665 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.185 20.520 17.878 1.00 0.00 H new ATOM 0 HD3 LYS A 2 17.071 21.658 18.873 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.048 19.939 20.054 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.482 19.262 20.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.743 17.757 18.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.350 18.310 18.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.868 18.967 17.814 1.00 0.00 H new ATOM 42 N LEU A 3 11.363 23.106 20.865 1.00 0.00 N ATOM 43 CA LEU A 3 10.991 23.666 22.196 1.00 0.00 C ATOM 44 C LEU A 3 9.962 22.760 22.879 1.00 0.00 C ATOM 45 O LEU A 3 10.194 22.236 23.950 1.00 0.00 O ATOM 46 CB LEU A 3 10.384 25.037 21.894 1.00 0.00 C ATOM 47 CG LEU A 3 10.729 26.008 23.025 1.00 0.00 C ATOM 48 CD1 LEU A 3 11.650 27.106 22.489 1.00 0.00 C ATOM 49 CD2 LEU A 3 9.445 26.638 23.566 1.00 0.00 C ATOM 0 H LEU A 3 10.581 22.929 20.234 1.00 0.00 H new ATOM 0 HA LEU A 3 11.846 23.740 22.868 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.767 25.415 20.946 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.302 24.953 21.790 1.00 0.00 H new ATOM 0 HG LEU A 3 11.234 25.469 23.827 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.897 27.799 23.294 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.565 26.657 22.103 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.145 27.646 21.688 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.691 27.330 24.372 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.939 27.178 22.766 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.788 25.856 23.947 1.00 0.00 H new ATOM 61 N LYS A 4 8.826 22.572 22.264 1.00 0.00 N ATOM 62 CA LYS A 4 7.780 21.700 22.874 1.00 0.00 C ATOM 63 C LYS A 4 6.796 21.236 21.797 1.00 0.00 C ATOM 64 O LYS A 4 6.296 22.024 21.019 1.00 0.00 O ATOM 65 CB LYS A 4 7.076 22.587 23.902 1.00 0.00 C ATOM 66 CG LYS A 4 6.519 23.833 23.209 1.00 0.00 C ATOM 67 CD LYS A 4 5.015 23.667 22.989 1.00 0.00 C ATOM 68 CE LYS A 4 4.262 24.715 23.809 1.00 0.00 C ATOM 69 NZ LYS A 4 4.355 24.240 25.218 1.00 0.00 N ATOM 0 H LYS A 4 8.576 22.984 21.365 1.00 0.00 H new ATOM 0 HA LYS A 4 8.198 20.804 23.332 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.269 22.034 24.382 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.775 22.877 24.687 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.713 24.717 23.817 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.022 23.986 22.254 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.777 23.777 21.931 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.702 22.665 23.283 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.710 25.702 23.695 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.224 24.797 23.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.737 24.819 25.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.056 23.245 25.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.338 24.323 25.548 1.00 0.00 H new ATOM 83 N VAL A 5 6.519 19.961 21.738 1.00 0.00 N ATOM 84 CA VAL A 5 5.573 19.452 20.703 1.00 0.00 C ATOM 85 C VAL A 5 4.164 19.317 21.283 1.00 0.00 C ATOM 86 O VAL A 5 3.952 18.666 22.287 1.00 0.00 O ATOM 87 CB VAL A 5 6.124 18.082 20.304 1.00 0.00 C ATOM 88 CG1 VAL A 5 5.235 17.475 19.217 1.00 0.00 C ATOM 89 CG2 VAL A 5 7.547 18.242 19.767 1.00 0.00 C ATOM 0 H VAL A 5 6.906 19.251 22.360 1.00 0.00 H new ATOM 0 HA VAL A 5 5.496 20.127 19.850 1.00 0.00 H new ATOM 0 HB VAL A 5 6.136 17.426 21.174 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.626 16.498 18.931 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.220 17.362 19.598 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.225 18.131 18.347 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.940 17.266 19.482 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.536 18.897 18.896 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.181 18.677 20.540 1.00 0.00 H new ATOM 99 N THR A 6 3.197 19.925 20.652 1.00 0.00 N ATOM 100 CA THR A 6 1.797 19.832 21.159 1.00 0.00 C ATOM 101 C THR A 6 0.880 19.270 20.070 1.00 0.00 C ATOM 102 O THR A 6 1.268 19.139 18.926 1.00 0.00 O ATOM 103 CB THR A 6 1.405 21.270 21.504 1.00 0.00 C ATOM 104 OG1 THR A 6 1.901 22.147 20.502 1.00 0.00 O ATOM 105 CG2 THR A 6 2.002 21.653 22.860 1.00 0.00 C ATOM 0 H THR A 6 3.315 20.483 19.806 1.00 0.00 H new ATOM 0 HA THR A 6 1.710 19.170 22.020 1.00 0.00 H new ATOM 0 HB THR A 6 0.319 21.349 21.553 1.00 0.00 H new ATOM 0 HG1 THR A 6 1.649 23.069 20.720 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.722 22.678 23.104 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.622 20.980 23.628 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.088 21.575 22.814 1.00 0.00 H new ATOM 113 N VAL A 7 -0.337 18.939 20.420 1.00 0.00 N ATOM 114 CA VAL A 7 -1.297 18.382 19.414 1.00 0.00 C ATOM 115 C VAL A 7 -0.747 17.084 18.812 1.00 0.00 C ATOM 116 O VAL A 7 0.447 16.885 18.722 1.00 0.00 O ATOM 117 CB VAL A 7 -1.443 19.461 18.332 1.00 0.00 C ATOM 118 CG1 VAL A 7 -2.579 19.077 17.383 1.00 0.00 C ATOM 119 CG2 VAL A 7 -1.763 20.809 18.982 1.00 0.00 C ATOM 0 H VAL A 7 -0.711 19.031 21.365 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.258 18.140 19.867 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.508 19.541 17.777 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.685 19.842 16.614 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.353 18.119 16.914 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.510 18.996 17.944 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.865 21.571 18.209 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.696 20.731 19.541 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.956 21.087 19.660 1.00 0.00 H new ATOM 129 N ASN A 8 -1.612 16.198 18.401 1.00 0.00 N ATOM 130 CA ASN A 8 -1.138 14.915 17.805 1.00 0.00 C ATOM 131 C ASN A 8 -0.156 14.222 18.754 1.00 0.00 C ATOM 132 O ASN A 8 1.040 14.231 18.541 1.00 0.00 O ATOM 133 CB ASN A 8 -0.439 15.317 16.507 1.00 0.00 C ATOM 134 CG ASN A 8 -0.762 14.295 15.415 1.00 0.00 C ATOM 135 OD1 ASN A 8 -0.103 13.280 15.304 1.00 0.00 O ATOM 136 ND2 ASN A 8 -1.755 14.521 14.599 1.00 0.00 N ATOM 0 H ASN A 8 -2.625 16.306 18.452 1.00 0.00 H new ATOM 0 HA ASN A 8 -1.954 14.214 17.628 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.765 16.310 16.198 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.638 15.370 16.663 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.978 13.846 13.868 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.308 15.373 14.692 1.00 0.00 H new ATOM 143 N GLY A 9 -0.654 13.622 19.800 1.00 0.00 N ATOM 144 CA GLY A 9 0.249 12.930 20.763 1.00 0.00 C ATOM 145 C GLY A 9 0.833 11.674 20.112 1.00 0.00 C ATOM 146 O GLY A 9 1.670 11.750 19.234 1.00 0.00 O ATOM 0 H GLY A 9 -1.647 13.581 20.030 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.053 13.600 21.068 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.302 12.661 21.664 1.00 0.00 H new ATOM 150 N ALA A 10 0.402 10.519 20.539 1.00 0.00 N ATOM 151 CA ALA A 10 0.936 9.258 19.946 1.00 0.00 C ATOM 152 C ALA A 10 -0.084 8.653 18.978 1.00 0.00 C ATOM 153 O ALA A 10 -1.215 9.088 18.900 1.00 0.00 O ATOM 154 CB ALA A 10 1.162 8.327 21.138 1.00 0.00 C ATOM 0 H ALA A 10 -0.296 10.393 21.272 1.00 0.00 H new ATOM 0 HA ALA A 10 1.851 9.424 19.377 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.556 7.374 20.786 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.875 8.782 21.825 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.216 8.160 21.654 1.00 0.00 H new ATOM 160 N GLY A 11 0.311 7.652 18.240 1.00 0.00 N ATOM 161 CA GLY A 11 -0.633 7.018 17.278 1.00 0.00 C ATOM 162 C GLY A 11 -0.324 5.525 17.163 1.00 0.00 C ATOM 163 O GLY A 11 0.220 4.922 18.067 1.00 0.00 O ATOM 0 H GLY A 11 1.247 7.246 18.262 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.660 7.162 17.613 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -0.546 7.494 16.301 1.00 0.00 H new ATOM 167 N LYS A 12 -0.666 4.924 16.057 1.00 0.00 N ATOM 168 CA LYS A 12 -0.391 3.469 15.883 1.00 0.00 C ATOM 169 C LYS A 12 0.619 3.252 14.754 1.00 0.00 C ATOM 170 O LYS A 12 0.519 2.313 13.989 1.00 0.00 O ATOM 171 CB LYS A 12 -1.743 2.853 15.519 1.00 0.00 C ATOM 172 CG LYS A 12 -1.811 1.421 16.054 1.00 0.00 C ATOM 173 CD LYS A 12 -3.255 0.922 16.002 1.00 0.00 C ATOM 174 CE LYS A 12 -3.272 -0.551 15.587 1.00 0.00 C ATOM 175 NZ LYS A 12 -4.708 -0.868 15.355 1.00 0.00 N ATOM 0 H LYS A 12 -1.124 5.377 15.266 1.00 0.00 H new ATOM 0 HA LYS A 12 0.035 3.019 16.780 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.552 3.449 15.941 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.876 2.855 14.437 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.169 0.770 15.461 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.440 1.387 17.079 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.727 1.041 16.977 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.831 1.517 15.293 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.681 -0.714 14.686 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.848 -1.186 16.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.802 -1.863 15.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.244 -0.710 16.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.082 -0.253 14.604 1.00 0.00 H new ATOM 189 N ALA A 13 1.592 4.115 14.643 1.00 0.00 N ATOM 190 CA ALA A 13 2.608 3.959 13.562 1.00 0.00 C ATOM 191 C ALA A 13 3.785 3.114 14.057 1.00 0.00 C ATOM 192 O ALA A 13 4.528 3.517 14.930 1.00 0.00 O ATOM 193 CB ALA A 13 3.066 5.382 13.244 1.00 0.00 C ATOM 0 H ALA A 13 1.728 4.921 15.253 1.00 0.00 H new ATOM 0 HA ALA A 13 2.204 3.454 12.685 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.817 5.355 12.455 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.213 5.973 12.912 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.495 5.834 14.138 1.00 0.00 H new ATOM 199 N GLY A 14 3.962 1.943 13.505 1.00 0.00 N ATOM 200 CA GLY A 14 5.090 1.074 13.943 1.00 0.00 C ATOM 201 C GLY A 14 6.420 1.749 13.599 1.00 0.00 C ATOM 202 O GLY A 14 6.680 2.867 13.998 1.00 0.00 O ATOM 0 H GLY A 14 3.373 1.552 12.770 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.029 0.894 15.016 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.026 0.103 13.453 1.00 0.00 H new ATOM 206 N GLU A 15 7.264 1.080 12.862 1.00 0.00 N ATOM 207 CA GLU A 15 8.577 1.687 12.496 1.00 0.00 C ATOM 208 C GLU A 15 8.720 1.785 10.974 1.00 0.00 C ATOM 209 O GLU A 15 9.438 2.622 10.464 1.00 0.00 O ATOM 210 CB GLU A 15 9.626 0.738 13.074 1.00 0.00 C ATOM 211 CG GLU A 15 10.012 1.199 14.480 1.00 0.00 C ATOM 212 CD GLU A 15 10.477 -0.002 15.306 1.00 0.00 C ATOM 213 OE1 GLU A 15 10.153 -1.117 14.927 1.00 0.00 O ATOM 214 OE2 GLU A 15 11.147 0.211 16.301 1.00 0.00 O ATOM 0 H GLU A 15 7.102 0.141 12.498 1.00 0.00 H new ATOM 0 HA GLU A 15 8.682 2.700 12.885 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.233 -0.278 13.108 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.507 0.718 12.432 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.806 1.944 14.424 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.160 1.677 14.963 1.00 0.00 H new ATOM 221 N GLY A 16 8.045 0.939 10.243 1.00 0.00 N ATOM 222 CA GLY A 16 8.150 0.990 8.757 1.00 0.00 C ATOM 223 C GLY A 16 6.750 1.034 8.143 1.00 0.00 C ATOM 224 O GLY A 16 6.338 0.122 7.452 1.00 0.00 O ATOM 0 H GLY A 16 7.426 0.216 10.610 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.719 1.869 8.453 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.691 0.118 8.391 1.00 0.00 H new ATOM 228 N GLU A 17 6.016 2.084 8.385 1.00 0.00 N ATOM 229 CA GLU A 17 4.643 2.184 7.812 1.00 0.00 C ATOM 230 C GLU A 17 4.460 3.532 7.108 1.00 0.00 C ATOM 231 O GLU A 17 5.258 4.436 7.262 1.00 0.00 O ATOM 232 CB GLU A 17 3.704 2.076 9.015 1.00 0.00 C ATOM 233 CG GLU A 17 4.046 3.168 10.029 1.00 0.00 C ATOM 234 CD GLU A 17 5.057 2.627 11.042 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.051 1.428 11.273 1.00 0.00 O ATOM 236 OE2 GLU A 17 5.819 3.419 11.571 1.00 0.00 O ATOM 0 H GLU A 17 6.307 2.878 8.955 1.00 0.00 H new ATOM 0 HA GLU A 17 4.447 1.410 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.668 2.177 8.691 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.799 1.093 9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.458 4.038 9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.143 3.498 10.542 1.00 0.00 H new ATOM 243 N ILE A 18 3.416 3.673 6.336 1.00 0.00 N ATOM 244 CA ILE A 18 3.183 4.962 5.623 1.00 0.00 C ATOM 245 C ILE A 18 1.857 5.588 6.075 1.00 0.00 C ATOM 246 O ILE A 18 0.799 5.141 5.676 1.00 0.00 O ATOM 247 CB ILE A 18 3.118 4.591 4.141 1.00 0.00 C ATOM 248 CG1 ILE A 18 4.458 3.994 3.704 1.00 0.00 C ATOM 249 CG2 ILE A 18 2.826 5.844 3.313 1.00 0.00 C ATOM 250 CD1 ILE A 18 4.263 2.525 3.324 1.00 0.00 C ATOM 0 H ILE A 18 2.715 2.952 6.168 1.00 0.00 H new ATOM 0 HA ILE A 18 3.966 5.692 5.828 1.00 0.00 H new ATOM 0 HB ILE A 18 2.325 3.859 3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.857 4.550 2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.186 4.078 4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.780 5.579 2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.872 6.270 3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.618 6.576 3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.217 2.100 3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.884 1.974 4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.549 2.453 2.504 1.00 0.00 H new ATOM 262 N PRO A 19 1.951 6.609 6.892 1.00 0.00 N ATOM 263 CA PRO A 19 0.730 7.293 7.389 1.00 0.00 C ATOM 264 C PRO A 19 0.082 8.106 6.264 1.00 0.00 C ATOM 265 O PRO A 19 0.754 8.760 5.491 1.00 0.00 O ATOM 266 CB PRO A 19 1.252 8.209 8.491 1.00 0.00 C ATOM 267 CG PRO A 19 2.688 8.447 8.148 1.00 0.00 C ATOM 268 CD PRO A 19 3.177 7.219 7.427 1.00 0.00 C ATOM 0 HA PRO A 19 -0.034 6.602 7.746 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.694 9.145 8.524 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.152 7.743 9.472 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.793 9.331 7.519 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.275 8.625 9.049 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.876 7.475 6.631 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.698 6.541 8.102 1.00 0.00 H new ATOM 276 N ALA A 20 -1.218 8.068 6.165 1.00 0.00 N ATOM 277 CA ALA A 20 -1.907 8.836 5.090 1.00 0.00 C ATOM 278 C ALA A 20 -2.498 10.134 5.657 1.00 0.00 C ATOM 279 O ALA A 20 -2.890 10.182 6.807 1.00 0.00 O ATOM 280 CB ALA A 20 -3.019 7.913 4.595 1.00 0.00 C ATOM 0 H ALA A 20 -1.833 7.538 6.782 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.227 9.122 4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.575 8.408 3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.583 6.990 4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.694 7.682 5.419 1.00 0.00 H new ATOM 286 N PRO A 21 -2.548 11.149 4.829 1.00 0.00 N ATOM 287 CA PRO A 21 -3.104 12.454 5.266 1.00 0.00 C ATOM 288 C PRO A 21 -4.625 12.359 5.407 1.00 0.00 C ATOM 289 O PRO A 21 -5.240 13.109 6.139 1.00 0.00 O ATOM 290 CB PRO A 21 -2.721 13.404 4.135 1.00 0.00 C ATOM 291 CG PRO A 21 -2.556 12.530 2.933 1.00 0.00 C ATOM 292 CD PRO A 21 -2.102 11.182 3.429 1.00 0.00 C ATOM 0 HA PRO A 21 -2.726 12.781 6.235 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.493 14.156 3.973 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.799 13.938 4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.495 12.444 2.387 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.825 12.954 2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.547 10.373 2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.020 11.072 3.352 1.00 0.00 H new ATOM 300 N LEU A 22 -5.232 11.437 4.714 1.00 0.00 N ATOM 301 CA LEU A 22 -6.712 11.284 4.804 1.00 0.00 C ATOM 302 C LEU A 22 -7.110 9.848 4.453 1.00 0.00 C ATOM 303 O LEU A 22 -7.245 9.497 3.298 1.00 0.00 O ATOM 304 CB LEU A 22 -7.276 12.266 3.776 1.00 0.00 C ATOM 305 CG LEU A 22 -7.922 13.451 4.499 1.00 0.00 C ATOM 306 CD1 LEU A 22 -8.120 14.604 3.513 1.00 0.00 C ATOM 307 CD2 LEU A 22 -9.279 13.026 5.065 1.00 0.00 C ATOM 0 H LEU A 22 -4.766 10.781 4.087 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.091 11.485 5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.480 12.618 3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.012 11.766 3.146 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.274 13.776 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.580 15.448 4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.154 14.908 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.767 14.279 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.739 13.870 5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.927 12.701 4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.139 12.205 5.768 1.00 0.00 H new ATOM 319 N ALA A 23 -7.298 9.014 5.440 1.00 0.00 N ATOM 320 CA ALA A 23 -7.686 7.599 5.163 1.00 0.00 C ATOM 321 C ALA A 23 -8.868 7.561 4.197 1.00 0.00 C ATOM 322 O ALA A 23 -8.773 7.049 3.099 1.00 0.00 O ATOM 323 CB ALA A 23 -8.089 7.011 6.514 1.00 0.00 C ATOM 0 H ALA A 23 -7.200 9.251 6.427 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.872 7.036 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.386 5.970 6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.244 7.064 7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.925 7.579 6.923 1.00 0.00 H new ATOM 329 N GLY A 24 -9.983 8.106 4.598 1.00 0.00 N ATOM 330 CA GLY A 24 -11.170 8.106 3.699 1.00 0.00 C ATOM 331 C GLY A 24 -12.005 6.855 3.960 1.00 0.00 C ATOM 332 O GLY A 24 -11.783 6.137 4.915 1.00 0.00 O ATOM 0 H GLY A 24 -10.123 8.550 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.770 8.999 3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.851 8.132 2.657 1.00 0.00 H new ATOM 336 N THR A 25 -12.973 6.590 3.127 1.00 0.00 N ATOM 337 CA THR A 25 -13.828 5.387 3.341 1.00 0.00 C ATOM 338 C THR A 25 -13.185 4.156 2.699 1.00 0.00 C ATOM 339 O THR A 25 -13.556 3.744 1.618 1.00 0.00 O ATOM 340 CB THR A 25 -15.165 5.708 2.664 1.00 0.00 C ATOM 341 OG1 THR A 25 -15.331 7.116 2.556 1.00 0.00 O ATOM 342 CG2 THR A 25 -16.307 5.125 3.497 1.00 0.00 C ATOM 0 H THR A 25 -13.209 7.152 2.309 1.00 0.00 H new ATOM 0 HA THR A 25 -13.956 5.164 4.400 1.00 0.00 H new ATOM 0 HB THR A 25 -15.175 5.270 1.666 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.733 7.332 1.689 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.259 5.352 3.018 1.00 0.00 H new ATOM 0 HG22 THR A 25 -16.187 4.044 3.573 1.00 0.00 H new ATOM 0 HG23 THR A 25 -16.290 5.563 4.495 1.00 0.00 H new ATOM 350 N VAL A 26 -12.230 3.559 3.358 1.00 0.00 N ATOM 351 CA VAL A 26 -11.574 2.349 2.783 1.00 0.00 C ATOM 352 C VAL A 26 -12.633 1.293 2.462 1.00 0.00 C ATOM 353 O VAL A 26 -13.286 0.768 3.342 1.00 0.00 O ATOM 354 CB VAL A 26 -10.630 1.846 3.877 1.00 0.00 C ATOM 355 CG1 VAL A 26 -9.807 0.673 3.341 1.00 0.00 C ATOM 356 CG2 VAL A 26 -9.688 2.975 4.300 1.00 0.00 C ATOM 0 H VAL A 26 -11.876 3.855 4.267 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.039 2.565 1.858 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.215 1.519 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.134 0.314 4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.476 -0.133 3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.224 1.001 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.016 2.615 5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.104 3.303 3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.272 3.812 4.682 1.00 0.00 H new ATOM 366 N SER A 27 -12.818 0.981 1.208 1.00 0.00 N ATOM 367 CA SER A 27 -13.846 -0.033 0.840 1.00 0.00 C ATOM 368 C SER A 27 -13.184 -1.306 0.302 1.00 0.00 C ATOM 369 O SER A 27 -13.649 -2.402 0.538 1.00 0.00 O ATOM 370 CB SER A 27 -14.685 0.635 -0.248 1.00 0.00 C ATOM 371 OG SER A 27 -15.208 1.860 0.248 1.00 0.00 O ATOM 0 H SER A 27 -12.303 1.383 0.425 1.00 0.00 H new ATOM 0 HA SER A 27 -14.448 -0.334 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.075 0.818 -1.133 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.498 -0.024 -0.552 1.00 0.00 H new ATOM 0 HG SER A 27 -14.471 2.435 0.541 1.00 0.00 H new ATOM 377 N LYS A 28 -12.109 -1.173 -0.426 1.00 0.00 N ATOM 378 CA LYS A 28 -11.439 -2.387 -0.978 1.00 0.00 C ATOM 379 C LYS A 28 -9.918 -2.214 -0.985 1.00 0.00 C ATOM 380 O LYS A 28 -9.404 -1.145 -1.246 1.00 0.00 O ATOM 381 CB LYS A 28 -11.966 -2.509 -2.408 1.00 0.00 C ATOM 382 CG LYS A 28 -13.301 -3.258 -2.399 1.00 0.00 C ATOM 383 CD LYS A 28 -14.437 -2.287 -2.727 1.00 0.00 C ATOM 384 CE LYS A 28 -15.186 -2.777 -3.970 1.00 0.00 C ATOM 385 NZ LYS A 28 -16.590 -2.976 -3.515 1.00 0.00 N ATOM 0 H LYS A 28 -11.668 -0.284 -0.662 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.649 -3.274 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.096 -1.519 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.244 -3.039 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.280 -4.068 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.468 -3.712 -1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.122 -2.213 -1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.037 -1.288 -2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.132 -2.047 -4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.758 -3.705 -4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.169 -3.312 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.611 -3.681 -2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.973 -2.074 -3.165 1.00 0.00 H new ATOM 399 N ILE A 29 -9.195 -3.266 -0.708 1.00 0.00 N ATOM 400 CA ILE A 29 -7.706 -3.170 -0.708 1.00 0.00 C ATOM 401 C ILE A 29 -7.133 -3.886 -1.937 1.00 0.00 C ATOM 402 O ILE A 29 -7.233 -5.089 -2.070 1.00 0.00 O ATOM 403 CB ILE A 29 -7.254 -3.859 0.583 1.00 0.00 C ATOM 404 CG1 ILE A 29 -5.730 -3.765 0.698 1.00 0.00 C ATOM 405 CG2 ILE A 29 -7.669 -5.332 0.564 1.00 0.00 C ATOM 406 CD1 ILE A 29 -5.351 -3.168 2.056 1.00 0.00 C ATOM 0 H ILE A 29 -9.571 -4.187 -0.482 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.360 -2.137 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.722 -3.366 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.286 -4.754 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.332 -3.146 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.343 -5.814 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.753 -5.403 0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.206 -5.829 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.266 -3.103 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.782 -2.171 2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.735 -3.805 2.853 1.00 0.00 H new ATOM 418 N LEU A 30 -6.541 -3.155 -2.839 1.00 0.00 N ATOM 419 CA LEU A 30 -5.973 -3.795 -4.059 1.00 0.00 C ATOM 420 C LEU A 30 -4.619 -4.439 -3.747 1.00 0.00 C ATOM 421 O LEU A 30 -4.198 -5.368 -4.408 1.00 0.00 O ATOM 422 CB LEU A 30 -5.807 -2.655 -5.066 1.00 0.00 C ATOM 423 CG LEU A 30 -6.979 -2.668 -6.048 1.00 0.00 C ATOM 424 CD1 LEU A 30 -7.001 -4.001 -6.798 1.00 0.00 C ATOM 425 CD2 LEU A 30 -8.290 -2.490 -5.280 1.00 0.00 C ATOM 0 H LEU A 30 -6.426 -2.143 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.616 -4.588 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.766 -1.698 -4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.866 -2.765 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.864 -1.853 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.836 -4.011 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.067 -4.126 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.115 -4.818 -6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.126 -2.499 -5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.406 -3.305 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.273 -1.539 -4.747 1.00 0.00 H new ATOM 437 N VAL A 31 -3.934 -3.954 -2.749 1.00 0.00 N ATOM 438 CA VAL A 31 -2.609 -4.543 -2.402 1.00 0.00 C ATOM 439 C VAL A 31 -2.777 -5.672 -1.382 1.00 0.00 C ATOM 440 O VAL A 31 -3.787 -5.773 -0.714 1.00 0.00 O ATOM 441 CB VAL A 31 -1.807 -3.390 -1.798 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.532 -2.858 -0.558 1.00 0.00 C ATOM 443 CG2 VAL A 31 -0.418 -3.892 -1.400 1.00 0.00 C ATOM 0 H VAL A 31 -4.233 -3.177 -2.159 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.112 -4.975 -3.271 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.709 -2.590 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.960 -2.036 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.523 -2.502 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.629 -3.657 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.156 -3.071 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.517 -4.691 -0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.098 -4.272 -2.282 1.00 0.00 H new ATOM 453 N LYS A 32 -1.792 -6.519 -1.255 1.00 0.00 N ATOM 454 CA LYS A 32 -1.894 -7.639 -0.276 1.00 0.00 C ATOM 455 C LYS A 32 -0.590 -7.759 0.516 1.00 0.00 C ATOM 456 O LYS A 32 0.258 -6.891 0.469 1.00 0.00 O ATOM 457 CB LYS A 32 -2.122 -8.890 -1.125 1.00 0.00 C ATOM 458 CG LYS A 32 -3.263 -9.713 -0.524 1.00 0.00 C ATOM 459 CD LYS A 32 -3.244 -11.123 -1.118 1.00 0.00 C ATOM 460 CE LYS A 32 -2.275 -12.000 -0.322 1.00 0.00 C ATOM 461 NZ LYS A 32 -2.482 -13.376 -0.850 1.00 0.00 N ATOM 0 H LYS A 32 -0.922 -6.484 -1.786 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.696 -7.488 0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.363 -8.608 -2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.211 -9.487 -1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.158 -9.762 0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.220 -9.233 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.245 -11.553 -1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.940 -11.084 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.244 -11.675 -0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.485 -11.951 0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.852 -14.037 -0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.471 -13.661 -0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.268 -13.393 -1.868 1.00 0.00 H new ATOM 475 N GLU A 33 -0.419 -8.831 1.240 1.00 0.00 N ATOM 476 CA GLU A 33 0.833 -9.003 2.028 1.00 0.00 C ATOM 477 C GLU A 33 1.848 -9.823 1.228 1.00 0.00 C ATOM 478 O GLU A 33 1.522 -10.845 0.656 1.00 0.00 O ATOM 479 CB GLU A 33 0.412 -9.754 3.291 1.00 0.00 C ATOM 480 CG GLU A 33 1.636 -9.975 4.181 1.00 0.00 C ATOM 481 CD GLU A 33 1.219 -10.720 5.450 1.00 0.00 C ATOM 482 OE1 GLU A 33 0.151 -10.428 5.962 1.00 0.00 O ATOM 483 OE2 GLU A 33 1.977 -11.569 5.891 1.00 0.00 O ATOM 0 H GLU A 33 -1.091 -9.594 1.320 1.00 0.00 H new ATOM 0 HA GLU A 33 1.307 -8.050 2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.346 -9.185 3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.036 -10.711 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.391 -10.547 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.087 -9.017 4.441 1.00 0.00 H new ATOM 490 N GLY A 34 3.075 -9.384 1.184 1.00 0.00 N ATOM 491 CA GLY A 34 4.109 -10.139 0.422 1.00 0.00 C ATOM 492 C GLY A 34 4.068 -9.746 -1.061 1.00 0.00 C ATOM 493 O GLY A 34 4.851 -10.228 -1.856 1.00 0.00 O ATOM 0 H GLY A 34 3.407 -8.535 1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.097 -9.932 0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.938 -11.210 0.527 1.00 0.00 H new ATOM 497 N ASP A 35 3.166 -8.880 -1.446 1.00 0.00 N ATOM 498 CA ASP A 35 3.093 -8.473 -2.879 1.00 0.00 C ATOM 499 C ASP A 35 3.959 -7.232 -3.120 1.00 0.00 C ATOM 500 O ASP A 35 3.965 -6.305 -2.335 1.00 0.00 O ATOM 501 CB ASP A 35 1.618 -8.158 -3.126 1.00 0.00 C ATOM 502 CG ASP A 35 1.022 -9.211 -4.061 1.00 0.00 C ATOM 503 OD1 ASP A 35 1.121 -10.384 -3.740 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.475 -8.828 -5.083 1.00 0.00 O ATOM 0 H ASP A 35 2.480 -8.440 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 35 3.460 -9.250 -3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.075 -8.146 -2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.516 -7.166 -3.566 1.00 0.00 H new ATOM 509 N THR A 36 4.692 -7.211 -4.201 1.00 0.00 N ATOM 510 CA THR A 36 5.559 -6.033 -4.489 1.00 0.00 C ATOM 511 C THR A 36 4.766 -4.949 -5.223 1.00 0.00 C ATOM 512 O THR A 36 4.185 -5.186 -6.264 1.00 0.00 O ATOM 513 CB THR A 36 6.677 -6.576 -5.382 1.00 0.00 C ATOM 514 OG1 THR A 36 7.221 -7.749 -4.795 1.00 0.00 O ATOM 515 CG2 THR A 36 7.772 -5.519 -5.528 1.00 0.00 C ATOM 0 H THR A 36 4.728 -7.957 -4.895 1.00 0.00 H new ATOM 0 HA THR A 36 5.946 -5.576 -3.578 1.00 0.00 H new ATOM 0 HB THR A 36 6.274 -6.816 -6.366 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.936 -8.099 -5.366 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.568 -5.906 -6.164 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.352 -4.620 -5.979 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.177 -5.277 -4.546 1.00 0.00 H new ATOM 523 N VAL A 37 4.742 -3.757 -4.691 1.00 0.00 N ATOM 524 CA VAL A 37 3.994 -2.655 -5.359 1.00 0.00 C ATOM 525 C VAL A 37 4.971 -1.727 -6.087 1.00 0.00 C ATOM 526 O VAL A 37 6.158 -1.978 -6.134 1.00 0.00 O ATOM 527 CB VAL A 37 3.289 -1.909 -4.224 1.00 0.00 C ATOM 528 CG1 VAL A 37 2.386 -2.878 -3.460 1.00 0.00 C ATOM 529 CG2 VAL A 37 4.333 -1.325 -3.269 1.00 0.00 C ATOM 0 H VAL A 37 5.209 -3.499 -3.822 1.00 0.00 H new ATOM 0 HA VAL A 37 3.287 -3.023 -6.103 1.00 0.00 H new ATOM 0 HB VAL A 37 2.686 -1.102 -4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.884 -2.347 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.641 -3.293 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.988 -3.686 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.830 -0.794 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.937 -2.131 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.977 -0.633 -3.812 1.00 0.00 H new ATOM 539 N LYS A 38 4.484 -0.659 -6.654 1.00 0.00 N ATOM 540 CA LYS A 38 5.393 0.280 -7.374 1.00 0.00 C ATOM 541 C LYS A 38 4.996 1.729 -7.085 1.00 0.00 C ATOM 542 O LYS A 38 3.918 2.002 -6.597 1.00 0.00 O ATOM 543 CB LYS A 38 5.206 -0.042 -8.857 1.00 0.00 C ATOM 544 CG LYS A 38 5.904 -1.363 -9.184 1.00 0.00 C ATOM 545 CD LYS A 38 7.411 -1.206 -8.977 1.00 0.00 C ATOM 546 CE LYS A 38 8.157 -1.886 -10.128 1.00 0.00 C ATOM 547 NZ LYS A 38 9.512 -2.181 -9.586 1.00 0.00 N ATOM 0 H LYS A 38 3.499 -0.395 -6.651 1.00 0.00 H new ATOM 0 HA LYS A 38 6.431 0.168 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.144 -0.111 -9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.618 0.760 -9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.519 -2.158 -8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.695 -1.652 -10.214 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.675 -0.149 -8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.706 -1.649 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.650 -2.798 -10.443 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.214 -1.236 -11.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.084 -2.649 -10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.973 -1.293 -9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.427 -2.807 -8.760 1.00 0.00 H new ATOM 561 N ALA A 39 5.860 2.662 -7.383 1.00 0.00 N ATOM 562 CA ALA A 39 5.529 4.093 -7.126 1.00 0.00 C ATOM 563 C ALA A 39 4.491 4.585 -8.138 1.00 0.00 C ATOM 564 O ALA A 39 4.817 4.933 -9.256 1.00 0.00 O ATOM 565 CB ALA A 39 6.849 4.846 -7.301 1.00 0.00 C ATOM 0 H ALA A 39 6.779 2.495 -7.793 1.00 0.00 H new ATOM 0 HA ALA A 39 5.103 4.246 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.687 5.910 -7.127 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.580 4.469 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.222 4.696 -8.314 1.00 0.00 H new ATOM 571 N GLY A 40 3.244 4.618 -7.756 1.00 0.00 N ATOM 572 CA GLY A 40 2.189 5.088 -8.698 1.00 0.00 C ATOM 573 C GLY A 40 1.265 3.925 -9.069 1.00 0.00 C ATOM 574 O GLY A 40 0.564 3.970 -10.060 1.00 0.00 O ATOM 0 H GLY A 40 2.910 4.340 -6.833 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.611 5.891 -8.239 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.649 5.499 -9.597 1.00 0.00 H new ATOM 578 N GLN A 41 1.255 2.882 -8.282 1.00 0.00 N ATOM 579 CA GLN A 41 0.371 1.721 -8.594 1.00 0.00 C ATOM 580 C GLN A 41 -0.818 1.698 -7.631 1.00 0.00 C ATOM 581 O GLN A 41 -0.655 1.589 -6.433 1.00 0.00 O ATOM 582 CB GLN A 41 1.253 0.488 -8.389 1.00 0.00 C ATOM 583 CG GLN A 41 0.685 -0.688 -9.185 1.00 0.00 C ATOM 584 CD GLN A 41 1.572 -1.919 -8.979 1.00 0.00 C ATOM 585 OE1 GLN A 41 1.233 -2.804 -8.218 1.00 0.00 O ATOM 586 NE2 GLN A 41 2.700 -2.012 -9.626 1.00 0.00 N ATOM 0 H GLN A 41 1.820 2.784 -7.438 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.036 1.766 -9.604 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.272 0.700 -8.712 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.300 0.234 -7.330 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.334 -0.902 -8.861 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.636 -0.435 -10.244 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.984 -1.269 -10.265 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.298 -2.828 -9.494 1.00 0.00 H new ATOM 595 N THR A 42 -2.018 1.805 -8.140 1.00 0.00 N ATOM 596 CA THR A 42 -3.213 1.795 -7.243 1.00 0.00 C ATOM 597 C THR A 42 -3.142 0.621 -6.261 1.00 0.00 C ATOM 598 O THR A 42 -2.949 -0.515 -6.648 1.00 0.00 O ATOM 599 CB THR A 42 -4.413 1.640 -8.179 1.00 0.00 C ATOM 600 OG1 THR A 42 -4.452 2.735 -9.083 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.703 1.611 -7.355 1.00 0.00 C ATOM 0 H THR A 42 -2.222 1.899 -9.135 1.00 0.00 H new ATOM 0 HA THR A 42 -3.278 2.702 -6.641 1.00 0.00 H new ATOM 0 HB THR A 42 -4.320 0.710 -8.739 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.334 2.777 -9.508 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.558 1.501 -8.022 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.673 0.771 -6.661 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.798 2.541 -6.794 1.00 0.00 H new ATOM 609 N VAL A 43 -3.294 0.889 -4.993 1.00 0.00 N ATOM 610 CA VAL A 43 -3.234 -0.209 -3.985 1.00 0.00 C ATOM 611 C VAL A 43 -4.458 -0.165 -3.061 1.00 0.00 C ATOM 612 O VAL A 43 -4.918 -1.184 -2.584 1.00 0.00 O ATOM 613 CB VAL A 43 -1.950 0.038 -3.184 1.00 0.00 C ATOM 614 CG1 VAL A 43 -0.735 -0.207 -4.080 1.00 0.00 C ATOM 615 CG2 VAL A 43 -1.922 1.481 -2.672 1.00 0.00 C ATOM 0 H VAL A 43 -3.457 1.820 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.233 -1.190 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.923 -0.644 -2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.178 -0.032 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.748 -1.237 -4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.768 0.473 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.007 1.648 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.955 2.168 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.785 1.656 -2.029 1.00 0.00 H new ATOM 625 N LEU A 44 -4.989 1.001 -2.796 1.00 0.00 N ATOM 626 CA LEU A 44 -6.178 1.080 -1.895 1.00 0.00 C ATOM 627 C LEU A 44 -7.328 1.825 -2.579 1.00 0.00 C ATOM 628 O LEU A 44 -7.133 2.546 -3.537 1.00 0.00 O ATOM 629 CB LEU A 44 -5.695 1.856 -0.668 1.00 0.00 C ATOM 630 CG LEU A 44 -5.811 0.969 0.574 1.00 0.00 C ATOM 631 CD1 LEU A 44 -4.427 0.434 0.951 1.00 0.00 C ATOM 632 CD2 LEU A 44 -6.373 1.788 1.738 1.00 0.00 C ATOM 0 H LEU A 44 -4.655 1.893 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.557 0.092 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.661 2.171 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.290 2.760 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.479 0.134 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.510 -0.198 1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.025 -0.151 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.759 1.269 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.455 1.155 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.706 2.623 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.359 2.169 1.472 1.00 0.00 H new ATOM 644 N VAL A 45 -8.527 1.654 -2.088 1.00 0.00 N ATOM 645 CA VAL A 45 -9.695 2.350 -2.700 1.00 0.00 C ATOM 646 C VAL A 45 -10.543 3.018 -1.614 1.00 0.00 C ATOM 647 O VAL A 45 -10.959 2.384 -0.664 1.00 0.00 O ATOM 648 CB VAL A 45 -10.495 1.250 -3.398 1.00 0.00 C ATOM 649 CG1 VAL A 45 -11.664 1.880 -4.158 1.00 0.00 C ATOM 650 CG2 VAL A 45 -9.591 0.503 -4.380 1.00 0.00 C ATOM 0 H VAL A 45 -8.747 1.061 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.388 3.134 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.877 0.550 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.237 1.098 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.309 2.412 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.280 2.579 -4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.163 -0.281 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.208 1.201 -5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.757 0.056 -3.839 1.00 0.00 H new ATOM 660 N LEU A 46 -10.807 4.292 -1.743 1.00 0.00 N ATOM 661 CA LEU A 46 -11.632 4.986 -0.711 1.00 0.00 C ATOM 662 C LEU A 46 -12.704 5.863 -1.373 1.00 0.00 C ATOM 663 O LEU A 46 -12.665 6.118 -2.562 1.00 0.00 O ATOM 664 CB LEU A 46 -10.638 5.840 0.091 1.00 0.00 C ATOM 665 CG LEU A 46 -10.178 7.044 -0.740 1.00 0.00 C ATOM 666 CD1 LEU A 46 -10.745 8.329 -0.134 1.00 0.00 C ATOM 667 CD2 LEU A 46 -8.652 7.114 -0.742 1.00 0.00 C ATOM 0 H LEU A 46 -10.489 4.879 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.165 4.282 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.106 6.184 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.777 5.236 0.376 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.537 6.934 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.418 9.185 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.834 8.282 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.387 8.437 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.328 7.970 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.291 7.222 0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.246 6.200 -1.175 1.00 0.00 H new ATOM 679 N GLU A 47 -13.654 6.328 -0.609 1.00 0.00 N ATOM 680 CA GLU A 47 -14.725 7.192 -1.186 1.00 0.00 C ATOM 681 C GLU A 47 -14.894 8.456 -0.338 1.00 0.00 C ATOM 682 O GLU A 47 -15.691 8.501 0.578 1.00 0.00 O ATOM 683 CB GLU A 47 -15.992 6.338 -1.133 1.00 0.00 C ATOM 684 CG GLU A 47 -16.459 6.029 -2.558 1.00 0.00 C ATOM 685 CD GLU A 47 -17.766 6.771 -2.839 1.00 0.00 C ATOM 686 OE1 GLU A 47 -17.847 7.939 -2.495 1.00 0.00 O ATOM 687 OE2 GLU A 47 -18.663 6.159 -3.394 1.00 0.00 O ATOM 0 H GLU A 47 -13.736 6.147 0.392 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.495 7.517 -2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.796 5.411 -0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -16.776 6.864 -0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.696 6.331 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.604 4.956 -2.680 1.00 0.00 H new ATOM 694 N ALA A 48 -14.144 9.485 -0.635 1.00 0.00 N ATOM 695 CA ALA A 48 -14.253 10.751 0.152 1.00 0.00 C ATOM 696 C ALA A 48 -13.275 11.787 -0.401 1.00 0.00 C ATOM 697 O ALA A 48 -12.278 11.449 -1.007 1.00 0.00 O ATOM 698 CB ALA A 48 -13.875 10.373 1.586 1.00 0.00 C ATOM 0 H ALA A 48 -13.459 9.504 -1.390 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.252 11.184 0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.933 11.256 2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.564 9.614 1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.859 9.980 1.603 1.00 0.00 H new ATOM 704 N MET A 49 -13.549 13.048 -0.204 1.00 0.00 N ATOM 705 CA MET A 49 -12.629 14.099 -0.728 1.00 0.00 C ATOM 706 C MET A 49 -12.352 13.858 -2.215 1.00 0.00 C ATOM 707 O MET A 49 -11.432 13.152 -2.578 1.00 0.00 O ATOM 708 CB MET A 49 -11.345 13.946 0.088 1.00 0.00 C ATOM 709 CG MET A 49 -11.517 14.627 1.446 1.00 0.00 C ATOM 710 SD MET A 49 -11.302 16.415 1.256 1.00 0.00 S ATOM 711 CE MET A 49 -10.828 16.768 2.967 1.00 0.00 C ATOM 0 H MET A 49 -14.367 13.396 0.296 1.00 0.00 H new ATOM 0 HA MET A 49 -13.050 15.101 -0.639 1.00 0.00 H new ATOM 0 HB2 MET A 49 -11.113 12.890 0.226 1.00 0.00 H new ATOM 0 HB3 MET A 49 -10.506 14.389 -0.449 1.00 0.00 H new ATOM 0 HG2 MET A 49 -12.505 14.410 1.851 1.00 0.00 H new ATOM 0 HG3 MET A 49 -10.788 14.236 2.156 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.502 17.517 3.384 1.00 0.00 H new ATOM 0 HE2 MET A 49 -10.890 15.854 3.558 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.806 17.146 2.991 1.00 0.00 H new ATOM 721 N LYS A 50 -13.149 14.433 -3.076 1.00 0.00 N ATOM 722 CA LYS A 50 -12.942 14.235 -4.541 1.00 0.00 C ATOM 723 C LYS A 50 -12.966 12.742 -4.887 1.00 0.00 C ATOM 724 O LYS A 50 -12.383 12.320 -5.864 1.00 0.00 O ATOM 725 CB LYS A 50 -11.567 14.838 -4.843 1.00 0.00 C ATOM 726 CG LYS A 50 -11.531 16.294 -4.374 1.00 0.00 C ATOM 727 CD LYS A 50 -10.825 17.153 -5.425 1.00 0.00 C ATOM 728 CE LYS A 50 -9.321 16.873 -5.388 1.00 0.00 C ATOM 729 NZ LYS A 50 -8.722 17.835 -6.353 1.00 0.00 N ATOM 0 H LYS A 50 -13.936 15.032 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.727 14.708 -5.131 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.789 14.264 -4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.362 14.785 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.545 16.660 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.009 16.367 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.222 16.933 -6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.014 18.209 -5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.918 17.018 -4.386 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.105 15.843 -5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.691 17.702 -6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.119 17.669 -7.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.937 18.807 -6.053 1.00 0.00 H new ATOM 743 N MET A 51 -13.645 11.947 -4.091 1.00 0.00 N ATOM 744 CA MET A 51 -13.730 10.471 -4.351 1.00 0.00 C ATOM 745 C MET A 51 -12.355 9.809 -4.205 1.00 0.00 C ATOM 746 O MET A 51 -12.153 8.970 -3.351 1.00 0.00 O ATOM 747 CB MET A 51 -14.251 10.310 -5.789 1.00 0.00 C ATOM 748 CG MET A 51 -15.480 11.199 -6.003 1.00 0.00 C ATOM 749 SD MET A 51 -16.807 10.229 -6.766 1.00 0.00 S ATOM 750 CE MET A 51 -16.321 10.492 -8.490 1.00 0.00 C ATOM 0 H MET A 51 -14.150 12.262 -3.262 1.00 0.00 H new ATOM 0 HA MET A 51 -14.393 9.989 -3.632 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.470 10.578 -6.500 1.00 0.00 H new ATOM 0 HB3 MET A 51 -14.509 9.268 -5.977 1.00 0.00 H new ATOM 0 HG2 MET A 51 -15.816 11.607 -5.050 1.00 0.00 H new ATOM 0 HG3 MET A 51 -15.223 12.046 -6.640 1.00 0.00 H new ATOM 0 HE1 MET A 51 -17.017 9.971 -9.148 1.00 0.00 H new ATOM 0 HE2 MET A 51 -16.339 11.559 -8.714 1.00 0.00 H new ATOM 0 HE3 MET A 51 -15.314 10.105 -8.647 1.00 0.00 H new ATOM 760 N GLU A 52 -11.410 10.174 -5.036 1.00 0.00 N ATOM 761 CA GLU A 52 -10.042 9.563 -4.963 1.00 0.00 C ATOM 762 C GLU A 52 -10.108 8.088 -5.370 1.00 0.00 C ATOM 763 O GLU A 52 -9.557 7.688 -6.377 1.00 0.00 O ATOM 764 CB GLU A 52 -9.587 9.703 -3.504 1.00 0.00 C ATOM 765 CG GLU A 52 -8.091 10.025 -3.464 1.00 0.00 C ATOM 766 CD GLU A 52 -7.895 11.542 -3.412 1.00 0.00 C ATOM 767 OE1 GLU A 52 -7.879 12.080 -2.318 1.00 0.00 O ATOM 768 OE2 GLU A 52 -7.763 12.138 -4.468 1.00 0.00 O ATOM 0 H GLU A 52 -11.527 10.874 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.343 10.056 -5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.153 10.493 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.786 8.780 -2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.631 9.558 -2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.596 9.614 -4.344 1.00 0.00 H new ATOM 775 N THR A 53 -10.786 7.278 -4.603 1.00 0.00 N ATOM 776 CA THR A 53 -10.896 5.835 -4.951 1.00 0.00 C ATOM 777 C THR A 53 -9.502 5.228 -5.189 1.00 0.00 C ATOM 778 O THR A 53 -8.781 4.953 -4.255 1.00 0.00 O ATOM 779 CB THR A 53 -11.759 5.802 -6.219 1.00 0.00 C ATOM 780 OG1 THR A 53 -13.020 6.396 -5.945 1.00 0.00 O ATOM 781 CG2 THR A 53 -11.960 4.353 -6.668 1.00 0.00 C ATOM 0 H THR A 53 -11.269 7.555 -3.749 1.00 0.00 H new ATOM 0 HA THR A 53 -11.342 5.243 -4.152 1.00 0.00 H new ATOM 0 HB THR A 53 -11.260 6.357 -7.013 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.573 6.378 -6.754 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.573 4.333 -7.569 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.991 3.900 -6.878 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.459 3.793 -5.877 1.00 0.00 H new ATOM 789 N GLU A 54 -9.111 5.008 -6.421 1.00 0.00 N ATOM 790 CA GLU A 54 -7.771 4.406 -6.684 1.00 0.00 C ATOM 791 C GLU A 54 -6.667 5.153 -5.928 1.00 0.00 C ATOM 792 O GLU A 54 -6.377 6.300 -6.205 1.00 0.00 O ATOM 793 CB GLU A 54 -7.570 4.545 -8.194 1.00 0.00 C ATOM 794 CG GLU A 54 -8.418 3.500 -8.921 1.00 0.00 C ATOM 795 CD GLU A 54 -7.977 3.411 -10.384 1.00 0.00 C ATOM 796 OE1 GLU A 54 -6.781 3.361 -10.619 1.00 0.00 O ATOM 797 OE2 GLU A 54 -8.843 3.394 -11.244 1.00 0.00 O ATOM 0 H GLU A 54 -9.662 5.220 -7.253 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.722 3.370 -6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.852 5.547 -8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.518 4.413 -8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.310 2.529 -8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.473 3.769 -8.864 1.00 0.00 H new ATOM 804 N ILE A 55 -6.034 4.501 -4.988 1.00 0.00 N ATOM 805 CA ILE A 55 -4.932 5.163 -4.230 1.00 0.00 C ATOM 806 C ILE A 55 -3.587 4.584 -4.681 1.00 0.00 C ATOM 807 O ILE A 55 -3.187 3.516 -4.257 1.00 0.00 O ATOM 808 CB ILE A 55 -5.202 4.848 -2.749 1.00 0.00 C ATOM 809 CG1 ILE A 55 -6.368 5.701 -2.250 1.00 0.00 C ATOM 810 CG2 ILE A 55 -3.963 5.169 -1.903 1.00 0.00 C ATOM 811 CD1 ILE A 55 -6.035 7.182 -2.443 1.00 0.00 C ATOM 0 H ILE A 55 -6.233 3.539 -4.713 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.894 6.239 -4.398 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.442 3.789 -2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.277 5.448 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.559 5.494 -1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.168 4.941 -0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.122 4.568 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.718 6.226 -2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.866 7.791 -2.087 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.136 7.429 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.865 7.382 -3.501 1.00 0.00 H new ATOM 823 N ASN A 56 -2.893 5.282 -5.539 1.00 0.00 N ATOM 824 CA ASN A 56 -1.577 4.780 -6.025 1.00 0.00 C ATOM 825 C ASN A 56 -0.579 4.690 -4.869 1.00 0.00 C ATOM 826 O ASN A 56 -0.461 5.592 -4.064 1.00 0.00 O ATOM 827 CB ASN A 56 -1.117 5.816 -7.052 1.00 0.00 C ATOM 828 CG ASN A 56 -2.146 5.907 -8.179 1.00 0.00 C ATOM 829 OD1 ASN A 56 -3.293 6.234 -7.946 1.00 0.00 O ATOM 830 ND2 ASN A 56 -1.784 5.629 -9.402 1.00 0.00 N ATOM 0 H ASN A 56 -3.182 6.181 -5.925 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.650 3.781 -6.454 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.997 6.789 -6.575 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.144 5.537 -7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.464 5.686 -10.161 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.822 5.354 -9.599 1.00 0.00 H new ATOM 837 N ALA A 57 0.139 3.605 -4.781 1.00 0.00 N ATOM 838 CA ALA A 57 1.132 3.450 -3.678 1.00 0.00 C ATOM 839 C ALA A 57 2.077 4.659 -3.638 1.00 0.00 C ATOM 840 O ALA A 57 2.273 5.323 -4.637 1.00 0.00 O ATOM 841 CB ALA A 57 1.905 2.174 -4.015 1.00 0.00 C ATOM 0 H ALA A 57 0.082 2.817 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 57 0.655 3.390 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.657 1.991 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.215 1.331 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.394 2.290 -4.982 1.00 0.00 H new ATOM 847 N PRO A 58 2.632 4.911 -2.476 1.00 0.00 N ATOM 848 CA PRO A 58 3.560 6.056 -2.311 1.00 0.00 C ATOM 849 C PRO A 58 4.935 5.722 -2.897 1.00 0.00 C ATOM 850 O PRO A 58 5.583 6.558 -3.497 1.00 0.00 O ATOM 851 CB PRO A 58 3.651 6.229 -0.799 1.00 0.00 C ATOM 852 CG PRO A 58 3.326 4.884 -0.226 1.00 0.00 C ATOM 853 CD PRO A 58 2.449 4.166 -1.221 1.00 0.00 C ATOM 0 HA PRO A 58 3.219 6.956 -2.822 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.648 6.553 -0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.950 6.986 -0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.238 4.317 -0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.814 4.989 0.731 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.745 3.123 -1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.406 4.169 -0.906 1.00 0.00 H new ATOM 861 N THR A 59 5.390 4.511 -2.721 1.00 0.00 N ATOM 862 CA THR A 59 6.728 4.135 -3.263 1.00 0.00 C ATOM 863 C THR A 59 6.782 2.633 -3.557 1.00 0.00 C ATOM 864 O THR A 59 6.133 1.838 -2.906 1.00 0.00 O ATOM 865 CB THR A 59 7.724 4.499 -2.157 1.00 0.00 C ATOM 866 OG1 THR A 59 7.226 5.601 -1.409 1.00 0.00 O ATOM 867 CG2 THR A 59 9.068 4.874 -2.783 1.00 0.00 C ATOM 0 H THR A 59 4.896 3.768 -2.227 1.00 0.00 H new ATOM 0 HA THR A 59 6.950 4.649 -4.198 1.00 0.00 H new ATOM 0 HB THR A 59 7.857 3.643 -1.495 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.864 5.831 -0.701 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.776 5.133 -1.996 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.452 4.028 -3.353 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.935 5.728 -3.447 1.00 0.00 H new ATOM 875 N ASP A 60 7.555 2.240 -4.532 1.00 0.00 N ATOM 876 CA ASP A 60 7.657 0.791 -4.869 1.00 0.00 C ATOM 877 C ASP A 60 8.303 0.027 -3.712 1.00 0.00 C ATOM 878 O ASP A 60 9.068 0.576 -2.944 1.00 0.00 O ATOM 879 CB ASP A 60 8.549 0.737 -6.110 1.00 0.00 C ATOM 880 CG ASP A 60 9.916 1.341 -5.781 1.00 0.00 C ATOM 881 OD1 ASP A 60 10.627 0.749 -4.987 1.00 0.00 O ATOM 882 OD2 ASP A 60 10.226 2.387 -6.327 1.00 0.00 O ATOM 0 H ASP A 60 8.121 2.860 -5.111 1.00 0.00 H new ATOM 0 HA ASP A 60 6.682 0.337 -5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.666 -0.294 -6.443 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.084 1.286 -6.929 1.00 0.00 H new ATOM 887 N GLY A 61 8.002 -1.236 -3.578 1.00 0.00 N ATOM 888 CA GLY A 61 8.604 -2.030 -2.469 1.00 0.00 C ATOM 889 C GLY A 61 7.657 -3.164 -2.072 1.00 0.00 C ATOM 890 O GLY A 61 6.480 -3.139 -2.371 1.00 0.00 O ATOM 0 H GLY A 61 7.367 -1.752 -4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.565 -2.439 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.796 -1.386 -1.611 1.00 0.00 H new ATOM 894 N LYS A 62 8.165 -4.158 -1.395 1.00 0.00 N ATOM 895 CA LYS A 62 7.298 -5.295 -0.974 1.00 0.00 C ATOM 896 C LYS A 62 6.580 -4.956 0.335 1.00 0.00 C ATOM 897 O LYS A 62 7.133 -4.322 1.212 1.00 0.00 O ATOM 898 CB LYS A 62 8.258 -6.468 -0.773 1.00 0.00 C ATOM 899 CG LYS A 62 7.463 -7.733 -0.445 1.00 0.00 C ATOM 900 CD LYS A 62 8.134 -8.470 0.715 1.00 0.00 C ATOM 901 CE LYS A 62 7.980 -9.980 0.520 1.00 0.00 C ATOM 902 NZ LYS A 62 9.182 -10.390 -0.258 1.00 0.00 N ATOM 0 H LYS A 62 9.143 -4.232 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 62 6.525 -5.522 -1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.852 -6.623 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.956 -6.246 0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.438 -7.473 -0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.412 -8.380 -1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.190 -8.205 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.684 -8.167 1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.933 -10.499 1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.062 -10.217 -0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.150 -11.415 -0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.196 -9.884 -1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.040 -10.158 0.281 1.00 0.00 H new ATOM 916 N VAL A 63 5.350 -5.370 0.473 1.00 0.00 N ATOM 917 CA VAL A 63 4.599 -5.068 1.724 1.00 0.00 C ATOM 918 C VAL A 63 5.042 -6.009 2.847 1.00 0.00 C ATOM 919 O VAL A 63 5.112 -7.210 2.676 1.00 0.00 O ATOM 920 CB VAL A 63 3.123 -5.296 1.366 1.00 0.00 C ATOM 921 CG1 VAL A 63 2.267 -5.353 2.638 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.637 -4.143 0.492 1.00 0.00 C ATOM 0 H VAL A 63 4.833 -5.904 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 63 4.775 -4.053 2.080 1.00 0.00 H new ATOM 0 HB VAL A 63 3.031 -6.242 0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.224 -5.515 2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.609 -6.172 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.359 -4.412 3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.589 -4.298 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.741 -3.205 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.233 -4.101 -0.420 1.00 0.00 H new ATOM 932 N GLU A 64 5.325 -5.469 3.997 1.00 0.00 N ATOM 933 CA GLU A 64 5.745 -6.327 5.139 1.00 0.00 C ATOM 934 C GLU A 64 4.517 -6.734 5.962 1.00 0.00 C ATOM 935 O GLU A 64 4.574 -7.644 6.765 1.00 0.00 O ATOM 936 CB GLU A 64 6.683 -5.452 5.970 1.00 0.00 C ATOM 937 CG GLU A 64 8.113 -5.585 5.439 1.00 0.00 C ATOM 938 CD GLU A 64 9.105 -5.326 6.573 1.00 0.00 C ATOM 939 OE1 GLU A 64 9.077 -6.072 7.539 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.875 -4.388 6.459 1.00 0.00 O ATOM 0 H GLU A 64 5.284 -4.470 4.197 1.00 0.00 H new ATOM 0 HA GLU A 64 6.233 -7.246 4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.362 -4.411 5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.644 -5.751 7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.268 -6.582 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.278 -4.876 4.628 1.00 0.00 H new ATOM 947 N LYS A 65 3.405 -6.068 5.768 1.00 0.00 N ATOM 948 CA LYS A 65 2.174 -6.418 6.541 1.00 0.00 C ATOM 949 C LYS A 65 1.020 -5.494 6.144 1.00 0.00 C ATOM 950 O LYS A 65 1.216 -4.479 5.504 1.00 0.00 O ATOM 951 CB LYS A 65 2.543 -6.205 8.012 1.00 0.00 C ATOM 952 CG LYS A 65 2.415 -7.528 8.769 1.00 0.00 C ATOM 953 CD LYS A 65 3.180 -7.435 10.091 1.00 0.00 C ATOM 954 CE LYS A 65 4.590 -8.003 9.907 1.00 0.00 C ATOM 955 NZ LYS A 65 5.222 -7.907 11.253 1.00 0.00 N ATOM 0 H LYS A 65 3.297 -5.298 5.108 1.00 0.00 H new ATOM 0 HA LYS A 65 1.849 -7.440 6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.562 -5.826 8.091 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.889 -5.455 8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.365 -7.751 8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.810 -8.345 8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.235 -6.397 10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.652 -7.988 10.868 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.557 -9.035 9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.151 -7.434 9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.193 -8.278 11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.245 -6.912 11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.670 -8.464 11.936 1.00 0.00 H new ATOM 969 N VAL A 66 -0.181 -5.834 6.524 1.00 0.00 N ATOM 970 CA VAL A 66 -1.349 -4.972 6.176 1.00 0.00 C ATOM 971 C VAL A 66 -2.200 -4.718 7.424 1.00 0.00 C ATOM 972 O VAL A 66 -2.903 -5.587 7.898 1.00 0.00 O ATOM 973 CB VAL A 66 -2.144 -5.756 5.124 1.00 0.00 C ATOM 974 CG1 VAL A 66 -1.370 -5.754 3.803 1.00 0.00 C ATOM 975 CG2 VAL A 66 -2.355 -7.201 5.586 1.00 0.00 C ATOM 0 H VAL A 66 -0.405 -6.672 7.061 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.042 -3.999 5.794 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.116 -5.283 4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.931 -6.310 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.230 -4.727 3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.397 -6.223 3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.921 -7.746 4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.387 -7.681 5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.907 -7.206 6.526 1.00 0.00 H new ATOM 985 N LEU A 67 -2.130 -3.533 7.967 1.00 0.00 N ATOM 986 CA LEU A 67 -2.924 -3.227 9.191 1.00 0.00 C ATOM 987 C LEU A 67 -4.243 -2.532 8.830 1.00 0.00 C ATOM 988 O LEU A 67 -5.224 -2.644 9.537 1.00 0.00 O ATOM 989 CB LEU A 67 -2.028 -2.302 10.024 1.00 0.00 C ATOM 990 CG LEU A 67 -1.844 -0.964 9.301 1.00 0.00 C ATOM 991 CD1 LEU A 67 -2.857 0.047 9.840 1.00 0.00 C ATOM 992 CD2 LEU A 67 -0.425 -0.445 9.544 1.00 0.00 C ATOM 0 H LEU A 67 -1.558 -2.765 7.617 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.197 -4.131 9.736 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.473 -2.137 11.005 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.059 -2.772 10.189 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.001 -1.102 8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.728 1.000 9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.868 -0.324 9.668 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.698 0.186 10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.293 0.507 9.030 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.267 -0.305 10.613 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.297 -1.167 9.162 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.280 -1.817 7.737 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.543 -1.125 7.346 1.00 0.00 C ATOM 1006 C VAL A 68 -6.644 -2.158 7.086 1.00 0.00 C ATOM 1007 O VAL A 68 -6.370 -3.299 6.770 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.201 -0.364 6.064 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -4.781 -1.357 4.979 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -6.427 0.420 5.593 1.00 0.00 C ATOM 0 H VAL A 68 -3.494 -1.682 7.101 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.910 -0.456 8.125 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.382 0.328 6.259 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.537 -0.816 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.907 -1.915 5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.600 -2.050 4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.183 0.962 4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.247 -0.271 5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.725 1.128 6.366 1.00 0.00 H new ATOM 1020 N LYS A 69 -7.886 -1.774 7.219 1.00 0.00 N ATOM 1021 CA LYS A 69 -8.988 -2.750 6.982 1.00 0.00 C ATOM 1022 C LYS A 69 -10.094 -2.119 6.132 1.00 0.00 C ATOM 1023 O LYS A 69 -10.211 -0.913 6.043 1.00 0.00 O ATOM 1024 CB LYS A 69 -9.515 -3.100 8.373 1.00 0.00 C ATOM 1025 CG LYS A 69 -9.419 -4.611 8.588 1.00 0.00 C ATOM 1026 CD LYS A 69 -9.961 -4.969 9.972 1.00 0.00 C ATOM 1027 CE LYS A 69 -10.079 -6.490 10.095 1.00 0.00 C ATOM 1028 NZ LYS A 69 -11.063 -6.711 11.191 1.00 0.00 N ATOM 0 H LYS A 69 -8.183 -0.834 7.480 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.643 -3.631 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.938 -2.576 9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.550 -2.772 8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.986 -5.135 7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.383 -4.936 8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.298 -4.581 10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.935 -4.504 10.124 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.421 -6.936 9.161 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.116 -6.943 10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.198 -7.732 11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.708 -6.281 12.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.972 -6.275 10.935 1.00 0.00 H new ATOM 1042 N GLU A 70 -10.904 -2.929 5.507 1.00 0.00 N ATOM 1043 CA GLU A 70 -12.004 -2.385 4.661 1.00 0.00 C ATOM 1044 C GLU A 70 -13.182 -1.955 5.538 1.00 0.00 C ATOM 1045 O GLU A 70 -14.203 -2.612 5.591 1.00 0.00 O ATOM 1046 CB GLU A 70 -12.409 -3.542 3.748 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.398 -3.671 2.607 1.00 0.00 C ATOM 1048 CD GLU A 70 -10.647 -4.998 2.736 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -9.642 -5.023 3.426 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -11.091 -5.966 2.141 1.00 0.00 O ATOM 0 H GLU A 70 -10.851 -3.947 5.546 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.694 -1.507 4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.451 -4.471 4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.407 -3.369 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.910 -3.623 1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.694 -2.839 2.635 1.00 0.00 H new ATOM 1057 N ARG A 71 -13.048 -0.853 6.225 1.00 0.00 N ATOM 1058 CA ARG A 71 -14.158 -0.373 7.101 1.00 0.00 C ATOM 1059 C ARG A 71 -13.779 0.969 7.730 1.00 0.00 C ATOM 1060 O ARG A 71 -14.605 1.843 7.897 1.00 0.00 O ATOM 1061 CB ARG A 71 -14.313 -1.447 8.180 1.00 0.00 C ATOM 1062 CG ARG A 71 -15.795 -1.784 8.356 1.00 0.00 C ATOM 1063 CD ARG A 71 -16.166 -2.955 7.444 1.00 0.00 C ATOM 1064 NE ARG A 71 -17.445 -3.482 7.993 1.00 0.00 N ATOM 1065 CZ ARG A 71 -18.421 -3.799 7.187 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -18.158 -4.292 6.007 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -19.659 -3.625 7.560 1.00 0.00 N ATOM 0 H ARG A 71 -12.216 -0.262 6.218 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.085 -0.221 6.549 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.757 -2.342 7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.895 -1.093 9.123 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.999 -2.040 9.396 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.407 -0.915 8.116 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.285 -2.628 6.411 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.390 -3.720 7.449 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.559 -3.595 9.000 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.190 -4.429 5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.920 -4.540 5.376 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.865 -3.241 8.482 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.421 -3.873 6.929 1.00 0.00 H new ATOM 1081 N ASP A 72 -12.530 1.138 8.074 1.00 0.00 N ATOM 1082 CA ASP A 72 -12.088 2.424 8.686 1.00 0.00 C ATOM 1083 C ASP A 72 -12.534 3.601 7.809 1.00 0.00 C ATOM 1084 O ASP A 72 -12.007 3.826 6.738 1.00 0.00 O ATOM 1085 CB ASP A 72 -10.558 2.320 8.744 1.00 0.00 C ATOM 1086 CG ASP A 72 -9.957 3.674 9.131 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -10.696 4.505 9.635 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -8.770 3.858 8.916 1.00 0.00 O ATOM 0 H ASP A 72 -11.796 0.440 7.957 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.517 2.594 9.674 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.264 1.561 9.469 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.170 2.003 7.776 1.00 0.00 H new ATOM 1093 N ALA A 73 -13.509 4.349 8.256 1.00 0.00 N ATOM 1094 CA ALA A 73 -13.997 5.504 7.448 1.00 0.00 C ATOM 1095 C ALA A 73 -13.429 6.821 7.988 1.00 0.00 C ATOM 1096 O ALA A 73 -13.587 7.146 9.147 1.00 0.00 O ATOM 1097 CB ALA A 73 -15.518 5.477 7.598 1.00 0.00 C ATOM 0 H ALA A 73 -13.988 4.209 9.146 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.685 5.433 6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -15.954 6.299 7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.904 4.530 7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -15.782 5.582 8.650 1.00 0.00 H new ATOM 1103 N VAL A 74 -12.777 7.577 7.146 1.00 0.00 N ATOM 1104 CA VAL A 74 -12.192 8.883 7.580 1.00 0.00 C ATOM 1105 C VAL A 74 -11.219 8.682 8.746 1.00 0.00 C ATOM 1106 O VAL A 74 -11.610 8.323 9.837 1.00 0.00 O ATOM 1107 CB VAL A 74 -13.386 9.735 8.020 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -12.906 11.148 8.354 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -14.412 9.800 6.886 1.00 0.00 C ATOM 0 H VAL A 74 -12.622 7.344 6.165 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.626 9.357 6.778 1.00 0.00 H new ATOM 0 HB VAL A 74 -13.847 9.289 8.901 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.755 11.756 8.667 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.175 11.103 9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.446 11.594 7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.262 10.406 7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.952 10.247 6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.753 8.793 6.646 1.00 0.00 H new ATOM 1119 N GLN A 75 -9.951 8.921 8.530 1.00 0.00 N ATOM 1120 CA GLN A 75 -8.977 8.747 9.644 1.00 0.00 C ATOM 1121 C GLN A 75 -7.741 9.641 9.450 1.00 0.00 C ATOM 1122 O GLN A 75 -7.615 10.669 10.085 1.00 0.00 O ATOM 1123 CB GLN A 75 -8.606 7.259 9.637 1.00 0.00 C ATOM 1124 CG GLN A 75 -8.194 6.834 11.049 1.00 0.00 C ATOM 1125 CD GLN A 75 -7.616 5.418 11.009 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -8.176 4.504 11.581 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -6.509 5.196 10.354 1.00 0.00 N ATOM 0 H GLN A 75 -9.553 9.225 7.641 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.404 9.044 10.602 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.453 6.663 9.298 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.789 7.079 8.938 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.455 7.529 11.448 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.055 6.868 11.716 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -6.038 5.963 9.873 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -6.115 4.256 10.323 1.00 0.00 H new ATOM 1136 N GLY A 76 -6.829 9.272 8.585 1.00 0.00 N ATOM 1137 CA GLY A 76 -5.620 10.118 8.376 1.00 0.00 C ATOM 1138 C GLY A 76 -4.791 10.162 9.663 1.00 0.00 C ATOM 1139 O GLY A 76 -5.308 10.377 10.741 1.00 0.00 O ATOM 0 H GLY A 76 -6.871 8.425 8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.020 9.716 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.916 11.127 8.088 1.00 0.00 H new ATOM 1143 N GLY A 77 -3.504 9.961 9.560 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.644 9.995 10.777 1.00 0.00 C ATOM 1145 C GLY A 77 -2.219 8.574 11.168 1.00 0.00 C ATOM 1146 O GLY A 77 -1.543 8.375 12.158 1.00 0.00 O ATOM 0 H GLY A 77 -3.012 9.775 8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.762 10.607 10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.186 10.460 11.601 1.00 0.00 H new ATOM 1150 N GLN A 78 -2.601 7.581 10.407 1.00 0.00 N ATOM 1151 CA GLN A 78 -2.205 6.186 10.755 1.00 0.00 C ATOM 1152 C GLN A 78 -1.554 5.503 9.548 1.00 0.00 C ATOM 1153 O GLN A 78 -1.907 5.758 8.413 1.00 0.00 O ATOM 1154 CB GLN A 78 -3.509 5.483 11.131 1.00 0.00 C ATOM 1155 CG GLN A 78 -3.459 5.076 12.606 1.00 0.00 C ATOM 1156 CD GLN A 78 -4.402 3.894 12.842 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -5.413 4.032 13.502 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -4.112 2.731 12.328 1.00 0.00 N ATOM 0 H GLN A 78 -3.167 7.676 9.564 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.478 6.155 11.567 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.356 6.145 10.953 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.655 4.603 10.504 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.441 4.804 12.885 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.748 5.917 13.236 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.263 2.616 11.774 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.734 1.937 12.480 1.00 0.00 H new ATOM 1167 N GLY A 79 -0.604 4.639 9.785 1.00 0.00 N ATOM 1168 CA GLY A 79 0.072 3.942 8.654 1.00 0.00 C ATOM 1169 C GLY A 79 -0.940 3.075 7.903 1.00 0.00 C ATOM 1170 O GLY A 79 -1.804 2.457 8.494 1.00 0.00 O ATOM 0 H GLY A 79 -0.267 4.386 10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.513 4.672 7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.887 3.323 9.030 1.00 0.00 H new ATOM 1174 N LEU A 80 -0.839 3.025 6.603 1.00 0.00 N ATOM 1175 CA LEU A 80 -1.792 2.197 5.810 1.00 0.00 C ATOM 1176 C LEU A 80 -1.303 0.746 5.752 1.00 0.00 C ATOM 1177 O LEU A 80 -2.047 -0.181 6.005 1.00 0.00 O ATOM 1178 CB LEU A 80 -1.792 2.819 4.411 1.00 0.00 C ATOM 1179 CG LEU A 80 -2.142 4.306 4.507 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -1.746 5.008 3.205 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -3.647 4.465 4.731 1.00 0.00 C ATOM 0 H LEU A 80 -0.137 3.522 6.055 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.790 2.182 6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.813 2.695 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.513 2.306 3.775 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.601 4.752 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.995 6.067 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.674 4.897 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.287 4.561 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.895 5.524 4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.188 4.019 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.932 3.965 5.657 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.054 0.545 5.423 1.00 0.00 N ATOM 1194 CA ILE A 81 0.488 -0.842 5.351 1.00 0.00 C ATOM 1195 C ILE A 81 1.976 -0.847 5.713 1.00 0.00 C ATOM 1196 O ILE A 81 2.672 0.132 5.533 1.00 0.00 O ATOM 1197 CB ILE A 81 0.288 -1.274 3.898 1.00 0.00 C ATOM 1198 CG1 ILE A 81 0.947 -0.253 2.967 1.00 0.00 C ATOM 1199 CG2 ILE A 81 -1.208 -1.352 3.592 1.00 0.00 C ATOM 1200 CD1 ILE A 81 0.819 -0.725 1.517 1.00 0.00 C ATOM 0 H ILE A 81 0.614 1.283 5.201 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.011 -1.516 6.047 1.00 0.00 H new ATOM 0 HB ILE A 81 0.742 -2.253 3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.474 0.722 3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.998 -0.131 3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.352 -1.660 2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.678 -2.078 4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.662 -0.373 3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.288 0.002 0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.312 -1.690 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.235 -0.824 1.258 1.00 0.00 H new ATOM 1212 N LYS A 82 2.470 -1.942 6.224 1.00 0.00 N ATOM 1213 CA LYS A 82 3.913 -2.007 6.599 1.00 0.00 C ATOM 1214 C LYS A 82 4.787 -2.065 5.343 1.00 0.00 C ATOM 1215 O LYS A 82 4.340 -2.449 4.281 1.00 0.00 O ATOM 1216 CB LYS A 82 4.054 -3.296 7.408 1.00 0.00 C ATOM 1217 CG LYS A 82 4.954 -3.043 8.620 1.00 0.00 C ATOM 1218 CD LYS A 82 4.100 -3.002 9.890 1.00 0.00 C ATOM 1219 CE LYS A 82 4.836 -2.211 10.973 1.00 0.00 C ATOM 1220 NZ LYS A 82 5.679 -3.216 11.678 1.00 0.00 N ATOM 0 H LYS A 82 1.938 -2.794 6.398 1.00 0.00 H new ATOM 0 HA LYS A 82 4.231 -1.132 7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.073 -3.641 7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.478 -4.084 6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.705 -3.829 8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.490 -2.101 8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.136 -2.539 9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.898 -4.015 10.238 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.446 -1.420 10.538 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.135 -1.733 11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.215 -2.748 12.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.071 -3.953 12.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.341 -3.649 11.003 1.00 0.00 H new ATOM 1234 N ILE A 83 6.031 -1.687 5.457 1.00 0.00 N ATOM 1235 CA ILE A 83 6.934 -1.721 4.270 1.00 0.00 C ATOM 1236 C ILE A 83 8.395 -1.652 4.717 1.00 0.00 C ATOM 1237 O ILE A 83 8.719 -1.064 5.730 1.00 0.00 O ATOM 1238 CB ILE A 83 6.564 -0.483 3.456 1.00 0.00 C ATOM 1239 CG1 ILE A 83 7.452 -0.412 2.210 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.777 0.771 4.305 1.00 0.00 C ATOM 1241 CD1 ILE A 83 6.617 0.045 1.013 1.00 0.00 C ATOM 0 H ILE A 83 6.462 -1.356 6.320 1.00 0.00 H new ATOM 0 HA ILE A 83 6.822 -2.638 3.691 1.00 0.00 H new ATOM 0 HB ILE A 83 5.518 -0.544 3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.277 0.281 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.892 -1.389 2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.513 1.654 3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 83 6.147 0.720 5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 83 7.823 0.834 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.249 0.095 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.808 -0.665 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.198 1.031 1.217 1.00 0.00 H new ATOM 1253 N GLY A 84 9.282 -2.248 3.967 1.00 0.00 N ATOM 1254 CA GLY A 84 10.722 -2.217 4.346 1.00 0.00 C ATOM 1255 C GLY A 84 11.571 -1.954 3.102 1.00 0.00 C ATOM 1256 O GLY A 84 12.687 -1.488 3.258 1.00 0.00 O ATOM 1257 OXT GLY A 84 11.091 -2.225 2.013 1.00 0.00 O ATOM 0 H GLY A 84 9.071 -2.755 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.897 -1.439 5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.010 -3.164 4.802 1.00 0.00 H new TER 1261 GLY A 84