USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 129:sc= 0.461 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0.319 USER MOD Set 2.1: A 7 LYS NZ :NH3+ 147:sc= 0.702 (180deg=0) USER MOD Set 2.2: A 8 TYR OH : rot 180:sc= 0.625 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.0993) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -2.73 K(o=-2.7,f=-7!) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0184) USER MOD Single : A 18 LYS NZ :NH3+ -177:sc= 1.34 (180deg=1.22) USER MOD Single : A 21 SER OG : rot 30:sc= 1.32 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -136:sc= 0.855 (180deg=-0.111) USER MOD Single : A 32 GLN : amide:sc= -0.0369 X(o=-0.037,f=-0.032) USER MOD Single : A 33 ASN : amide:sc= -0.0104 K(o=-0.01,f=-2.1!) USER MOD Single : A 44 THR OG1 : rot -106:sc= 0.569 USER MOD Single : A 47 LYS NZ :NH3+ 135:sc= 0.57 (180deg=-1.3) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 145:sc= 0.539 (180deg=-0.164!) USER MOD Single : A 60 TYR OH : rot -169:sc= 0.243 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -103:sc= 0.284 USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= -0.152! (180deg=-0.173!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 143:sc= 1.32 (180deg=-0.229) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.566 -0.227 -10.361 1.00 0.00 N ATOM 2 CA MET A 1 14.371 -0.641 -9.614 1.00 0.00 C ATOM 3 C MET A 1 13.819 0.524 -8.818 1.00 0.00 C ATOM 4 O MET A 1 14.478 1.014 -7.901 1.00 0.00 O ATOM 5 CB MET A 1 14.639 -1.821 -8.674 1.00 0.00 C ATOM 6 CG MET A 1 14.827 -3.117 -9.459 1.00 0.00 C ATOM 7 SD MET A 1 15.370 -4.512 -8.444 1.00 0.00 S ATOM 8 CE MET A 1 14.501 -5.834 -9.321 1.00 0.00 C ATOM 0 H1 MET A 1 15.815 -0.963 -11.053 1.00 0.00 H new ATOM 0 H2 MET A 1 15.372 0.665 -10.859 1.00 0.00 H new ATOM 0 H3 MET A 1 16.358 -0.090 -9.701 1.00 0.00 H new ATOM 0 HA MET A 1 13.640 -0.970 -10.352 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.530 -1.621 -8.078 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.808 -1.931 -7.978 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.886 -3.377 -9.944 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.558 -2.949 -10.250 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.712 -6.789 -8.840 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.428 -5.644 -9.295 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.839 -5.867 -10.357 1.00 0.00 H new ATOM 18 N ALA A 2 12.588 0.926 -9.121 1.00 0.00 N ATOM 19 CA ALA A 2 11.698 1.621 -8.206 1.00 0.00 C ATOM 20 C ALA A 2 10.306 1.000 -8.370 1.00 0.00 C ATOM 21 O ALA A 2 10.063 0.238 -9.313 1.00 0.00 O ATOM 22 CB ALA A 2 11.716 3.131 -8.476 1.00 0.00 C ATOM 0 H ALA A 2 12.173 0.771 -10.040 1.00 0.00 H new ATOM 0 HA ALA A 2 12.020 1.506 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.043 3.633 -7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.728 3.513 -8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.389 3.322 -9.498 1.00 0.00 H new ATOM 28 N LEU A 3 9.405 1.292 -7.435 1.00 0.00 N ATOM 29 CA LEU A 3 8.038 0.822 -7.386 1.00 0.00 C ATOM 30 C LEU A 3 7.257 2.090 -7.093 1.00 0.00 C ATOM 31 O LEU A 3 7.119 2.483 -5.933 1.00 0.00 O ATOM 32 CB LEU A 3 7.877 -0.284 -6.316 1.00 0.00 C ATOM 33 CG LEU A 3 8.767 -1.521 -6.587 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.859 -2.433 -5.364 1.00 0.00 C ATOM 35 CD2 LEU A 3 8.271 -2.348 -7.780 1.00 0.00 C ATOM 0 H LEU A 3 9.631 1.900 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 3 7.687 0.343 -8.300 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.123 0.127 -5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.833 -0.596 -6.277 1.00 0.00 H new ATOM 0 HG LEU A 3 9.755 -1.124 -6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.492 -3.289 -5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.288 -1.879 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.862 -2.782 -5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.929 -3.204 -7.928 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.258 -2.699 -7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.273 -1.729 -8.677 1.00 0.00 H new ATOM 47 N VAL A 4 6.862 2.786 -8.157 1.00 0.00 N ATOM 48 CA VAL A 4 6.063 4.003 -8.122 1.00 0.00 C ATOM 49 C VAL A 4 4.834 3.727 -8.996 1.00 0.00 C ATOM 50 O VAL A 4 4.600 4.346 -10.040 1.00 0.00 O ATOM 51 CB VAL A 4 6.914 5.230 -8.520 1.00 0.00 C ATOM 52 CG1 VAL A 4 6.046 6.494 -8.645 1.00 0.00 C ATOM 53 CG2 VAL A 4 8.030 5.486 -7.489 1.00 0.00 C ATOM 0 H VAL A 4 7.102 2.502 -9.107 1.00 0.00 H new ATOM 0 HA VAL A 4 5.714 4.263 -7.123 1.00 0.00 H new ATOM 0 HB VAL A 4 7.362 5.008 -9.489 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.673 7.340 -8.926 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.284 6.338 -9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.565 6.701 -7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.614 6.355 -7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.586 5.671 -6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.681 4.613 -7.433 1.00 0.00 H new ATOM 63 N LEU A 5 4.081 2.719 -8.572 1.00 0.00 N ATOM 64 CA LEU A 5 2.789 2.292 -9.068 1.00 0.00 C ATOM 65 C LEU A 5 2.292 1.264 -8.064 1.00 0.00 C ATOM 66 O LEU A 5 3.074 0.441 -7.597 1.00 0.00 O ATOM 67 CB LEU A 5 2.867 1.689 -10.475 1.00 0.00 C ATOM 68 CG LEU A 5 3.935 0.598 -10.714 1.00 0.00 C ATOM 69 CD1 LEU A 5 3.328 -0.511 -11.577 1.00 0.00 C ATOM 70 CD2 LEU A 5 5.169 1.141 -11.447 1.00 0.00 C ATOM 0 H LEU A 5 4.393 2.129 -7.801 1.00 0.00 H new ATOM 0 HA LEU A 5 2.113 3.142 -9.161 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.892 1.267 -10.717 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.047 2.500 -11.181 1.00 0.00 H new ATOM 0 HG LEU A 5 4.247 0.229 -9.737 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.074 -1.286 -11.751 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.469 -0.943 -11.063 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.007 -0.095 -12.532 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.890 0.336 -11.591 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.870 1.539 -12.417 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.624 1.934 -10.854 1.00 0.00 H new ATOM 82 N VAL A 6 1.005 1.289 -7.728 1.00 0.00 N ATOM 83 CA VAL A 6 0.401 0.218 -6.941 1.00 0.00 C ATOM 84 C VAL A 6 -1.079 0.157 -7.284 1.00 0.00 C ATOM 85 O VAL A 6 -1.965 0.290 -6.448 1.00 0.00 O ATOM 86 CB VAL A 6 0.746 0.335 -5.439 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.573 1.743 -4.866 1.00 0.00 C ATOM 88 CG2 VAL A 6 -0.009 -0.678 -4.565 1.00 0.00 C ATOM 0 H VAL A 6 0.362 2.037 -7.988 1.00 0.00 H new ATOM 0 HA VAL A 6 0.825 -0.752 -7.202 1.00 0.00 H new ATOM 0 HB VAL A 6 1.809 0.097 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.835 1.740 -3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.224 2.435 -5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.464 2.058 -4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.278 -0.544 -3.522 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.082 -0.520 -4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.241 -1.690 -4.882 1.00 0.00 H new ATOM 98 N LYS A 7 -1.371 -0.052 -8.562 1.00 0.00 N ATOM 99 CA LYS A 7 -2.750 -0.101 -9.014 1.00 0.00 C ATOM 100 C LYS A 7 -3.044 -1.351 -9.845 1.00 0.00 C ATOM 101 O LYS A 7 -3.932 -1.311 -10.691 1.00 0.00 O ATOM 102 CB LYS A 7 -3.011 1.179 -9.824 1.00 0.00 C ATOM 103 CG LYS A 7 -2.084 1.382 -11.034 1.00 0.00 C ATOM 104 CD LYS A 7 -2.912 1.907 -12.206 1.00 0.00 C ATOM 105 CE LYS A 7 -2.012 2.393 -13.332 1.00 0.00 C ATOM 106 NZ LYS A 7 -2.762 2.492 -14.596 1.00 0.00 N ATOM 0 H LYS A 7 -0.676 -0.189 -9.296 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.416 -0.157 -8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.043 1.165 -10.174 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.911 2.038 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.290 2.087 -10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.603 0.442 -11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.569 1.119 -12.574 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.551 2.723 -11.868 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.594 3.366 -13.075 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.173 1.708 -13.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.387 3.281 -15.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.661 1.605 -15.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.768 2.660 -14.391 1.00 0.00 H new ATOM 120 N TYR A 8 -2.453 -2.497 -9.500 1.00 0.00 N ATOM 121 CA TYR A 8 -2.690 -3.759 -10.209 1.00 0.00 C ATOM 122 C TYR A 8 -2.691 -4.923 -9.218 1.00 0.00 C ATOM 123 O TYR A 8 -2.242 -6.024 -9.530 1.00 0.00 O ATOM 124 CB TYR A 8 -1.609 -3.934 -11.301 1.00 0.00 C ATOM 125 CG TYR A 8 -1.692 -2.937 -12.442 1.00 0.00 C ATOM 126 CD1 TYR A 8 -2.828 -2.940 -13.272 1.00 0.00 C ATOM 127 CD2 TYR A 8 -0.650 -2.019 -12.685 1.00 0.00 C ATOM 128 CE1 TYR A 8 -2.961 -1.999 -14.302 1.00 0.00 C ATOM 129 CE2 TYR A 8 -0.760 -1.092 -13.738 1.00 0.00 C ATOM 130 CZ TYR A 8 -1.925 -1.075 -14.540 1.00 0.00 C ATOM 131 OH TYR A 8 -2.060 -0.188 -15.559 1.00 0.00 O ATOM 0 H TYR A 8 -1.797 -2.578 -8.723 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.667 -3.743 -10.692 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.626 -3.853 -10.836 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.686 -4.941 -11.711 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.604 -3.674 -13.114 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.233 -2.027 -12.063 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.853 -1.982 -14.910 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.042 -0.396 -13.933 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.267 0.386 -15.600 1.00 0.00 H new ATOM 141 N GLY A 9 -3.249 -4.695 -8.026 1.00 0.00 N ATOM 142 CA GLY A 9 -3.317 -5.651 -6.928 1.00 0.00 C ATOM 143 C GLY A 9 -1.982 -5.907 -6.266 1.00 0.00 C ATOM 144 O GLY A 9 -1.903 -5.818 -5.050 1.00 0.00 O ATOM 0 H GLY A 9 -3.682 -3.801 -7.795 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.020 -5.284 -6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.714 -6.594 -7.302 1.00 0.00 H new ATOM 148 N THR A 10 -0.950 -6.211 -7.037 1.00 0.00 N ATOM 149 CA THR A 10 0.191 -6.952 -6.512 1.00 0.00 C ATOM 150 C THR A 10 1.558 -6.543 -7.102 1.00 0.00 C ATOM 151 O THR A 10 2.425 -7.399 -7.260 1.00 0.00 O ATOM 152 CB THR A 10 -0.096 -8.458 -6.660 1.00 0.00 C ATOM 153 OG1 THR A 10 -0.817 -8.756 -7.847 1.00 0.00 O ATOM 154 CG2 THR A 10 -0.902 -9.019 -5.482 1.00 0.00 C ATOM 0 H THR A 10 -0.877 -5.959 -8.023 1.00 0.00 H new ATOM 0 HA THR A 10 0.296 -6.695 -5.458 1.00 0.00 H new ATOM 0 HB THR A 10 0.888 -8.925 -6.693 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.975 -9.722 -7.900 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.077 -10.084 -5.635 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.344 -8.873 -4.557 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.858 -8.500 -5.415 1.00 0.00 H new ATOM 162 N ASP A 11 1.837 -5.252 -7.350 1.00 0.00 N ATOM 163 CA ASP A 11 3.097 -4.856 -8.022 1.00 0.00 C ATOM 164 C ASP A 11 3.933 -3.823 -7.253 1.00 0.00 C ATOM 165 O ASP A 11 4.524 -2.923 -7.842 1.00 0.00 O ATOM 166 CB ASP A 11 2.812 -4.395 -9.463 1.00 0.00 C ATOM 167 CG ASP A 11 4.056 -4.455 -10.366 1.00 0.00 C ATOM 168 OD1 ASP A 11 4.938 -5.330 -10.171 1.00 0.00 O ATOM 169 OD2 ASP A 11 4.065 -3.755 -11.399 1.00 0.00 O ATOM 0 H ASP A 11 1.224 -4.475 -7.103 1.00 0.00 H new ATOM 0 HA ASP A 11 3.720 -5.750 -8.045 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.028 -5.020 -9.891 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.431 -3.374 -9.444 1.00 0.00 H new ATOM 174 N HIS A 12 4.003 -3.946 -5.926 1.00 0.00 N ATOM 175 CA HIS A 12 4.822 -3.091 -5.054 1.00 0.00 C ATOM 176 C HIS A 12 5.090 -3.825 -3.728 1.00 0.00 C ATOM 177 O HIS A 12 4.559 -4.920 -3.552 1.00 0.00 O ATOM 178 CB HIS A 12 4.122 -1.726 -4.870 1.00 0.00 C ATOM 179 CG HIS A 12 3.176 -1.641 -3.696 1.00 0.00 C ATOM 180 ND1 HIS A 12 2.427 -2.673 -3.185 1.00 0.00 N ATOM 181 CD2 HIS A 12 2.975 -0.552 -2.887 1.00 0.00 C ATOM 182 CE1 HIS A 12 1.799 -2.227 -2.094 1.00 0.00 C ATOM 183 NE2 HIS A 12 2.090 -0.938 -1.874 1.00 0.00 N ATOM 0 H HIS A 12 3.482 -4.657 -5.413 1.00 0.00 H new ATOM 0 HA HIS A 12 5.794 -2.888 -5.504 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.886 -0.957 -4.757 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.568 -1.494 -5.780 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.362 -3.615 -3.571 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.419 0.425 -3.009 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.146 -2.824 -1.474 1.00 0.00 H new ATOM 191 N PRO A 13 5.893 -3.305 -2.785 1.00 0.00 N ATOM 192 CA PRO A 13 6.127 -4.003 -1.527 1.00 0.00 C ATOM 193 C PRO A 13 4.956 -3.854 -0.563 1.00 0.00 C ATOM 194 O PRO A 13 4.171 -2.953 -0.744 1.00 0.00 O ATOM 195 CB PRO A 13 7.361 -3.327 -0.974 1.00 0.00 C ATOM 196 CG PRO A 13 7.372 -1.902 -1.525 1.00 0.00 C ATOM 197 CD PRO A 13 6.458 -1.961 -2.744 1.00 0.00 C ATOM 0 HA PRO A 13 6.245 -5.077 -1.669 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.341 -3.319 0.116 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.262 -3.863 -1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.006 -1.188 -0.788 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.380 -1.589 -1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.669 -1.212 -2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.016 -1.749 -3.656 1.00 0.00 H new ATOM 205 N VAL A 14 4.865 -4.704 0.467 1.00 0.00 N ATOM 206 CA VAL A 14 3.963 -4.730 1.606 1.00 0.00 C ATOM 207 C VAL A 14 4.127 -6.152 2.123 1.00 0.00 C ATOM 208 O VAL A 14 4.520 -6.353 3.251 1.00 0.00 O ATOM 209 CB VAL A 14 2.519 -4.301 1.261 1.00 0.00 C ATOM 210 CG1 VAL A 14 1.435 -4.959 2.124 1.00 0.00 C ATOM 211 CG2 VAL A 14 2.364 -2.779 1.426 1.00 0.00 C ATOM 0 H VAL A 14 5.512 -5.490 0.519 1.00 0.00 H new ATOM 0 HA VAL A 14 4.200 -3.994 2.375 1.00 0.00 H new ATOM 0 HB VAL A 14 2.373 -4.627 0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.454 -4.600 1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.481 -6.041 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.599 -4.704 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.343 -2.489 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.582 -2.501 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.057 -2.268 0.758 1.00 0.00 H new ATOM 221 N GLU A 15 3.993 -7.166 1.275 1.00 0.00 N ATOM 222 CA GLU A 15 3.886 -8.558 1.728 1.00 0.00 C ATOM 223 C GLU A 15 4.482 -9.516 0.711 1.00 0.00 C ATOM 224 O GLU A 15 4.018 -10.635 0.549 1.00 0.00 O ATOM 225 CB GLU A 15 2.416 -8.874 2.118 1.00 0.00 C ATOM 226 CG GLU A 15 2.137 -8.329 3.520 1.00 0.00 C ATOM 227 CD GLU A 15 0.926 -8.943 4.214 1.00 0.00 C ATOM 228 OE1 GLU A 15 -0.213 -8.713 3.761 1.00 0.00 O ATOM 229 OE2 GLU A 15 1.062 -9.458 5.342 1.00 0.00 O ATOM 0 H GLU A 15 3.955 -7.054 0.262 1.00 0.00 H new ATOM 0 HA GLU A 15 4.482 -8.700 2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.732 -8.425 1.398 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.244 -9.950 2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.017 -8.495 4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.992 -7.251 3.454 1.00 0.00 H new ATOM 236 N LYS A 16 5.542 -9.080 0.026 1.00 0.00 N ATOM 237 CA LYS A 16 6.358 -9.918 -0.842 1.00 0.00 C ATOM 238 C LYS A 16 7.475 -9.092 -1.417 1.00 0.00 C ATOM 239 O LYS A 16 8.613 -9.279 -1.018 1.00 0.00 O ATOM 240 CB LYS A 16 5.535 -10.543 -1.983 1.00 0.00 C ATOM 241 CG LYS A 16 6.062 -11.921 -2.353 1.00 0.00 C ATOM 242 CD LYS A 16 5.765 -12.982 -1.272 1.00 0.00 C ATOM 243 CE LYS A 16 5.935 -14.382 -1.867 1.00 0.00 C ATOM 244 NZ LYS A 16 4.763 -14.782 -2.670 1.00 0.00 N ATOM 0 H LYS A 16 5.860 -8.112 0.064 1.00 0.00 H new ATOM 0 HA LYS A 16 6.758 -10.735 -0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.490 -10.620 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.567 -9.892 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.616 -12.235 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.139 -11.863 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.439 -12.851 -0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.750 -12.857 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.828 -14.406 -2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.088 -15.102 -1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.870 -15.772 -2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.900 -14.686 -2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.691 -14.171 -3.508 1.00 0.00 H new ATOM 258 N LEU A 17 7.159 -8.106 -2.253 1.00 0.00 N ATOM 259 CA LEU A 17 8.167 -7.283 -2.914 1.00 0.00 C ATOM 260 C LEU A 17 9.025 -6.519 -1.896 1.00 0.00 C ATOM 261 O LEU A 17 10.184 -6.205 -2.157 1.00 0.00 O ATOM 262 CB LEU A 17 7.503 -6.373 -3.968 1.00 0.00 C ATOM 263 CG LEU A 17 7.919 -6.773 -5.394 1.00 0.00 C ATOM 264 CD1 LEU A 17 7.019 -6.075 -6.415 1.00 0.00 C ATOM 265 CD2 LEU A 17 9.388 -6.428 -5.666 1.00 0.00 C ATOM 0 H LEU A 17 6.199 -7.856 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 17 8.862 -7.930 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.419 -6.434 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.782 -5.336 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 17 7.805 -7.853 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.320 -6.363 -7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.983 -6.369 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.112 -4.995 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.649 -6.724 -6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.537 -5.354 -5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.024 -6.960 -4.959 1.00 0.00 H new ATOM 277 N LYS A 18 8.484 -6.297 -0.691 1.00 0.00 N ATOM 278 CA LYS A 18 9.212 -5.716 0.441 1.00 0.00 C ATOM 279 C LYS A 18 10.355 -6.641 0.887 1.00 0.00 C ATOM 280 O LYS A 18 11.391 -6.186 1.333 1.00 0.00 O ATOM 281 CB LYS A 18 8.246 -5.350 1.594 1.00 0.00 C ATOM 282 CG LYS A 18 8.266 -6.220 2.852 1.00 0.00 C ATOM 283 CD LYS A 18 7.604 -7.591 2.656 1.00 0.00 C ATOM 284 CE LYS A 18 8.082 -8.649 3.647 1.00 0.00 C ATOM 285 NZ LYS A 18 8.305 -8.101 4.997 1.00 0.00 N ATOM 0 H LYS A 18 7.513 -6.520 -0.473 1.00 0.00 H new ATOM 0 HA LYS A 18 9.674 -4.783 0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.458 -4.324 1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.231 -5.362 1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.299 -6.366 3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.758 -5.691 3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.524 -7.480 2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.802 -7.939 1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.345 -9.450 3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.008 -9.092 3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.677 -8.848 5.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.990 -7.320 4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.406 -7.747 5.381 1.00 0.00 H new ATOM 299 N ILE A 19 10.176 -7.955 0.804 1.00 0.00 N ATOM 300 CA ILE A 19 11.158 -8.929 1.255 1.00 0.00 C ATOM 301 C ILE A 19 12.326 -8.954 0.276 1.00 0.00 C ATOM 302 O ILE A 19 13.455 -9.251 0.652 1.00 0.00 O ATOM 303 CB ILE A 19 10.449 -10.301 1.423 1.00 0.00 C ATOM 304 CG1 ILE A 19 10.791 -10.921 2.788 1.00 0.00 C ATOM 305 CG2 ILE A 19 10.688 -11.320 0.289 1.00 0.00 C ATOM 306 CD1 ILE A 19 9.653 -11.811 3.286 1.00 0.00 C ATOM 0 H ILE A 19 9.332 -8.377 0.416 1.00 0.00 H new ATOM 0 HA ILE A 19 11.578 -8.664 2.226 1.00 0.00 H new ATOM 0 HB ILE A 19 9.385 -10.071 1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.706 -11.507 2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.983 -10.130 3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.148 -12.241 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.332 -10.905 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.754 -11.534 0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.921 -12.237 4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.745 -11.217 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.480 -12.615 2.571 1.00 0.00 H new ATOM 318 N ARG A 20 12.051 -8.621 -0.990 1.00 0.00 N ATOM 319 CA ARG A 20 13.076 -8.529 -2.004 1.00 0.00 C ATOM 320 C ARG A 20 13.862 -7.219 -1.843 1.00 0.00 C ATOM 321 O ARG A 20 15.003 -7.163 -2.302 1.00 0.00 O ATOM 322 CB ARG A 20 12.432 -8.715 -3.390 1.00 0.00 C ATOM 323 CG ARG A 20 11.843 -10.132 -3.625 1.00 0.00 C ATOM 324 CD ARG A 20 10.320 -10.234 -3.794 1.00 0.00 C ATOM 325 NE ARG A 20 9.887 -11.229 -4.789 1.00 0.00 N ATOM 326 CZ ARG A 20 9.331 -12.437 -4.641 1.00 0.00 C ATOM 327 NH1 ARG A 20 9.423 -13.135 -3.514 1.00 0.00 N ATOM 328 NH2 ARG A 20 8.712 -12.969 -5.686 1.00 0.00 N ATOM 0 H ARG A 20 11.112 -8.411 -1.327 1.00 0.00 H new ATOM 0 HA ARG A 20 13.811 -9.326 -1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.639 -7.978 -3.513 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.179 -8.511 -4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.312 -10.550 -4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.134 -10.763 -2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.875 -10.483 -2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.932 -9.257 -4.081 1.00 0.00 H new ATOM 0 HE ARG A 20 10.037 -10.949 -5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.933 -12.753 -2.718 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.983 -14.053 -3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.671 -12.459 -6.568 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.277 -13.888 -5.608 1.00 0.00 H new ATOM 342 N SER A 21 13.315 -6.195 -1.175 1.00 0.00 N ATOM 343 CA SER A 21 13.983 -4.972 -0.723 1.00 0.00 C ATOM 344 C SER A 21 12.981 -4.124 0.072 1.00 0.00 C ATOM 345 O SER A 21 12.019 -3.632 -0.521 1.00 0.00 O ATOM 346 CB SER A 21 14.464 -4.149 -1.921 1.00 0.00 C ATOM 347 OG SER A 21 15.689 -4.630 -2.431 1.00 0.00 O ATOM 0 H SER A 21 12.327 -6.202 -0.920 1.00 0.00 H new ATOM 0 HA SER A 21 14.839 -5.247 -0.106 1.00 0.00 H new ATOM 0 HB2 SER A 21 13.708 -4.175 -2.706 1.00 0.00 H new ATOM 0 HB3 SER A 21 14.579 -3.107 -1.623 1.00 0.00 H new ATOM 0 HG SER A 21 15.755 -5.594 -2.269 1.00 0.00 H new ATOM 353 N ALA A 22 13.198 -3.986 1.383 1.00 0.00 N ATOM 354 CA ALA A 22 12.551 -3.110 2.369 1.00 0.00 C ATOM 355 C ALA A 22 13.110 -3.484 3.744 1.00 0.00 C ATOM 356 O ALA A 22 13.802 -4.498 3.889 1.00 0.00 O ATOM 357 CB ALA A 22 11.010 -3.236 2.408 1.00 0.00 C ATOM 0 H ALA A 22 13.917 -4.553 1.833 1.00 0.00 H new ATOM 0 HA ALA A 22 12.764 -2.079 2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.608 -2.558 3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.599 -2.979 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.735 -4.260 2.659 1.00 0.00 H new ATOM 363 N LYS A 23 12.776 -2.711 4.774 1.00 0.00 N ATOM 364 CA LYS A 23 13.099 -3.000 6.166 1.00 0.00 C ATOM 365 C LYS A 23 12.002 -2.407 7.047 1.00 0.00 C ATOM 366 O LYS A 23 10.939 -2.060 6.535 1.00 0.00 O ATOM 367 CB LYS A 23 14.511 -2.473 6.489 1.00 0.00 C ATOM 368 CG LYS A 23 15.468 -3.390 7.245 1.00 0.00 C ATOM 369 CD LYS A 23 15.936 -4.633 6.485 1.00 0.00 C ATOM 370 CE LYS A 23 14.857 -5.693 6.640 1.00 0.00 C ATOM 371 NZ LYS A 23 15.422 -7.056 6.769 1.00 0.00 N ATOM 0 H LYS A 23 12.258 -1.840 4.658 1.00 0.00 H new ATOM 0 HA LYS A 23 13.127 -4.072 6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.987 -2.198 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.400 -1.557 7.069 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.345 -2.811 7.533 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.982 -3.712 8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.098 -4.401 5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.886 -4.991 6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.253 -5.468 7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.191 -5.658 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.649 -7.744 6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.977 -7.284 5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.038 -7.099 7.606 1.00 0.00 H new ATOM 385 N ALA A 24 12.210 -2.350 8.363 1.00 0.00 N ATOM 386 CA ALA A 24 11.180 -1.844 9.258 1.00 0.00 C ATOM 387 C ALA A 24 10.991 -0.343 9.106 1.00 0.00 C ATOM 388 O ALA A 24 9.887 0.171 9.285 1.00 0.00 O ATOM 389 CB ALA A 24 11.550 -2.165 10.705 1.00 0.00 C ATOM 0 H ALA A 24 13.071 -2.644 8.824 1.00 0.00 H new ATOM 0 HA ALA A 24 10.242 -2.332 8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.776 -1.784 11.371 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.636 -3.245 10.828 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.503 -1.695 10.950 1.00 0.00 H new ATOM 395 N GLU A 25 12.056 0.385 8.783 1.00 0.00 N ATOM 396 CA GLU A 25 11.991 1.828 8.587 1.00 0.00 C ATOM 397 C GLU A 25 11.719 2.186 7.143 1.00 0.00 C ATOM 398 O GLU A 25 12.316 3.110 6.580 1.00 0.00 O ATOM 399 CB GLU A 25 13.185 2.582 9.124 1.00 0.00 C ATOM 400 CG GLU A 25 14.466 1.899 8.707 1.00 0.00 C ATOM 401 CD GLU A 25 15.639 2.760 9.131 1.00 0.00 C ATOM 402 OE1 GLU A 25 15.841 3.805 8.470 1.00 0.00 O ATOM 403 OE2 GLU A 25 16.260 2.403 10.155 1.00 0.00 O ATOM 0 H GLU A 25 12.987 -0.009 8.650 1.00 0.00 H new ATOM 0 HA GLU A 25 11.144 2.157 9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.174 3.607 8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.131 2.636 10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.535 0.913 9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.479 1.748 7.628 1.00 0.00 H new ATOM 410 N ASP A 26 10.841 1.415 6.530 1.00 0.00 N ATOM 411 CA ASP A 26 10.497 1.637 5.153 1.00 0.00 C ATOM 412 C ASP A 26 9.059 2.136 5.088 1.00 0.00 C ATOM 413 O ASP A 26 8.367 2.199 6.117 1.00 0.00 O ATOM 414 CB ASP A 26 10.768 0.354 4.375 1.00 0.00 C ATOM 415 CG ASP A 26 11.305 0.646 2.985 1.00 0.00 C ATOM 416 OD1 ASP A 26 10.500 0.985 2.099 1.00 0.00 O ATOM 417 OD2 ASP A 26 12.537 0.533 2.789 1.00 0.00 O ATOM 0 H ASP A 26 10.357 0.632 6.970 1.00 0.00 H new ATOM 0 HA ASP A 26 11.106 2.410 4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.485 -0.259 4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.848 -0.225 4.296 1.00 0.00 H new ATOM 422 N LYS A 27 8.613 2.581 3.918 1.00 0.00 N ATOM 423 CA LYS A 27 7.494 3.511 3.827 1.00 0.00 C ATOM 424 C LYS A 27 6.663 3.105 2.617 1.00 0.00 C ATOM 425 O LYS A 27 7.238 2.946 1.550 1.00 0.00 O ATOM 426 CB LYS A 27 8.041 4.943 3.690 1.00 0.00 C ATOM 427 CG LYS A 27 8.918 5.471 4.849 1.00 0.00 C ATOM 428 CD LYS A 27 9.865 6.603 4.408 1.00 0.00 C ATOM 429 CE LYS A 27 11.040 6.725 5.391 1.00 0.00 C ATOM 430 NZ LYS A 27 11.888 7.905 5.117 1.00 0.00 N ATOM 0 H LYS A 27 9.011 2.312 3.018 1.00 0.00 H new ATOM 0 HA LYS A 27 6.867 3.483 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.625 4.997 2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.195 5.619 3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.274 5.833 5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.506 4.649 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.240 6.403 3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.320 7.546 4.362 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.653 6.788 6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.650 5.823 5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.890 7.634 5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.685 8.264 4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.686 8.648 5.817 1.00 0.00 H new ATOM 444 N ILE A 28 5.362 2.822 2.777 1.00 0.00 N ATOM 445 CA ILE A 28 4.515 2.341 1.683 1.00 0.00 C ATOM 446 C ILE A 28 3.060 2.784 1.921 1.00 0.00 C ATOM 447 O ILE A 28 2.695 3.144 3.050 1.00 0.00 O ATOM 448 CB ILE A 28 4.632 0.795 1.539 1.00 0.00 C ATOM 449 CG1 ILE A 28 6.027 0.162 1.819 1.00 0.00 C ATOM 450 CG2 ILE A 28 4.254 0.421 0.094 1.00 0.00 C ATOM 451 CD1 ILE A 28 5.964 -1.343 2.073 1.00 0.00 C ATOM 0 H ILE A 28 4.872 2.921 3.666 1.00 0.00 H new ATOM 0 HA ILE A 28 4.854 2.778 0.744 1.00 0.00 H new ATOM 0 HB ILE A 28 3.968 0.399 2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.683 0.354 0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.474 0.652 2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.328 -0.659 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.232 0.741 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.934 0.916 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.968 -1.723 2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.333 -1.540 2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.545 -1.842 1.199 1.00 0.00 H new ATOM 463 N VAL A 29 2.248 2.749 0.857 1.00 0.00 N ATOM 464 CA VAL A 29 0.795 2.933 0.784 1.00 0.00 C ATOM 465 C VAL A 29 0.275 2.126 -0.430 1.00 0.00 C ATOM 466 O VAL A 29 1.034 1.972 -1.386 1.00 0.00 O ATOM 467 CB VAL A 29 0.460 4.436 0.650 1.00 0.00 C ATOM 468 CG1 VAL A 29 -1.020 4.682 0.299 1.00 0.00 C ATOM 469 CG2 VAL A 29 0.763 5.184 1.960 1.00 0.00 C ATOM 0 H VAL A 29 2.634 2.573 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 29 0.311 2.573 1.692 1.00 0.00 H new ATOM 0 HB VAL A 29 1.085 4.809 -0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.201 5.754 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.254 4.201 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.654 4.266 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.519 6.240 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.164 4.762 2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.821 5.081 2.201 1.00 0.00 H new ATOM 479 N LEU A 30 -0.990 1.664 -0.436 1.00 0.00 N ATOM 480 CA LEU A 30 -1.641 0.906 -1.527 1.00 0.00 C ATOM 481 C LEU A 30 -2.741 1.744 -2.155 1.00 0.00 C ATOM 482 O LEU A 30 -3.401 2.479 -1.421 1.00 0.00 O ATOM 483 CB LEU A 30 -2.333 -0.409 -1.060 1.00 0.00 C ATOM 484 CG LEU A 30 -2.046 -0.968 0.343 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.019 -2.111 0.652 1.00 0.00 C ATOM 486 CD2 LEU A 30 -0.622 -1.494 0.451 1.00 0.00 C ATOM 0 H LEU A 30 -1.616 1.815 0.355 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.834 0.662 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.409 -0.254 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.073 -1.186 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.173 -0.155 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.813 -2.505 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.042 -1.738 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.895 -2.904 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.453 -1.882 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.473 -2.292 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.081 -0.685 0.251 1.00 0.00 H new ATOM 498 N ILE A 31 -3.007 1.553 -3.456 1.00 0.00 N ATOM 499 CA ILE A 31 -4.084 2.252 -4.147 1.00 0.00 C ATOM 500 C ILE A 31 -4.882 1.319 -5.061 1.00 0.00 C ATOM 501 O ILE A 31 -4.582 0.135 -5.166 1.00 0.00 O ATOM 502 CB ILE A 31 -3.545 3.517 -4.863 1.00 0.00 C ATOM 503 CG1 ILE A 31 -3.024 3.236 -6.288 1.00 0.00 C ATOM 504 CG2 ILE A 31 -2.509 4.318 -4.044 1.00 0.00 C ATOM 505 CD1 ILE A 31 -2.981 4.490 -7.143 1.00 0.00 C ATOM 0 H ILE A 31 -2.481 0.912 -4.050 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.802 2.599 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.424 4.155 -4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.025 2.805 -6.229 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.663 2.494 -6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.184 5.186 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.962 4.649 -3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.649 3.685 -3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.608 4.241 -8.136 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.984 4.908 -7.227 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.320 5.223 -6.681 1.00 0.00 H new ATOM 517 N GLN A 32 -5.842 1.886 -5.787 1.00 0.00 N ATOM 518 CA GLN A 32 -6.692 1.364 -6.844 1.00 0.00 C ATOM 519 C GLN A 32 -7.134 -0.075 -6.630 1.00 0.00 C ATOM 520 O GLN A 32 -8.212 -0.328 -6.113 1.00 0.00 O ATOM 521 CB GLN A 32 -6.047 1.527 -8.221 1.00 0.00 C ATOM 522 CG GLN A 32 -5.929 2.971 -8.685 1.00 0.00 C ATOM 523 CD GLN A 32 -7.280 3.472 -9.152 1.00 0.00 C ATOM 524 OE1 GLN A 32 -7.657 3.228 -10.292 1.00 0.00 O ATOM 525 NE2 GLN A 32 -8.029 4.165 -8.312 1.00 0.00 N ATOM 0 H GLN A 32 -6.070 2.866 -5.618 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.596 1.971 -6.803 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.053 1.081 -8.200 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.631 0.968 -8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.561 3.595 -7.871 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.204 3.044 -9.495 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.694 4.356 -7.368 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.942 4.509 -8.608 1.00 0.00 H new ATOM 534 N ASN A 33 -6.311 -1.021 -7.087 1.00 0.00 N ATOM 535 CA ASN A 33 -6.500 -2.454 -6.932 1.00 0.00 C ATOM 536 C ASN A 33 -5.417 -3.038 -6.049 1.00 0.00 C ATOM 537 O ASN A 33 -5.691 -4.026 -5.382 1.00 0.00 O ATOM 538 CB ASN A 33 -6.533 -3.161 -8.286 1.00 0.00 C ATOM 539 CG ASN A 33 -7.767 -2.720 -9.061 1.00 0.00 C ATOM 540 OD1 ASN A 33 -8.885 -3.135 -8.762 1.00 0.00 O ATOM 541 ND2 ASN A 33 -7.614 -1.774 -9.972 1.00 0.00 N ATOM 0 H ASN A 33 -5.458 -0.793 -7.597 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.465 -2.615 -6.452 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.632 -2.926 -8.853 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.547 -4.242 -8.143 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.430 -1.378 -10.438 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.680 -1.440 -10.209 1.00 0.00 H new ATOM 548 N GLY A 34 -4.233 -2.409 -5.992 1.00 0.00 N ATOM 549 CA GLY A 34 -3.180 -2.584 -4.990 1.00 0.00 C ATOM 550 C GLY A 34 -3.699 -2.725 -3.567 1.00 0.00 C ATOM 551 O GLY A 34 -3.063 -3.368 -2.747 1.00 0.00 O ATOM 0 H GLY A 34 -3.972 -1.718 -6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.596 -3.469 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.503 -1.731 -5.036 1.00 0.00 H new ATOM 555 N VAL A 35 -4.874 -2.191 -3.269 1.00 0.00 N ATOM 556 CA VAL A 35 -5.622 -2.476 -2.058 1.00 0.00 C ATOM 557 C VAL A 35 -5.726 -3.973 -1.692 1.00 0.00 C ATOM 558 O VAL A 35 -5.826 -4.270 -0.503 1.00 0.00 O ATOM 559 CB VAL A 35 -6.994 -1.807 -2.164 1.00 0.00 C ATOM 560 CG1 VAL A 35 -6.883 -0.292 -2.019 1.00 0.00 C ATOM 561 CG2 VAL A 35 -7.745 -2.101 -3.474 1.00 0.00 C ATOM 0 H VAL A 35 -5.346 -1.527 -3.883 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.060 -2.056 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.567 -2.241 -1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.874 0.155 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.453 -0.050 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.242 0.103 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.707 -1.588 -3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.154 -1.749 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.907 -3.175 -3.567 1.00 0.00 H new ATOM 571 N PHE A 36 -5.642 -4.910 -2.652 1.00 0.00 N ATOM 572 CA PHE A 36 -5.453 -6.352 -2.447 1.00 0.00 C ATOM 573 C PHE A 36 -4.300 -6.686 -1.492 1.00 0.00 C ATOM 574 O PHE A 36 -4.359 -7.702 -0.803 1.00 0.00 O ATOM 575 CB PHE A 36 -5.146 -7.035 -3.787 1.00 0.00 C ATOM 576 CG PHE A 36 -6.310 -7.399 -4.693 1.00 0.00 C ATOM 577 CD1 PHE A 36 -7.417 -6.549 -4.895 1.00 0.00 C ATOM 578 CD2 PHE A 36 -6.252 -8.621 -5.386 1.00 0.00 C ATOM 579 CE1 PHE A 36 -8.426 -6.920 -5.800 1.00 0.00 C ATOM 580 CE2 PHE A 36 -7.256 -8.979 -6.297 1.00 0.00 C ATOM 581 CZ PHE A 36 -8.341 -8.122 -6.515 1.00 0.00 C ATOM 0 H PHE A 36 -5.708 -4.667 -3.641 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.383 -6.712 -2.007 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.479 -6.381 -4.349 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.591 -7.949 -3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.489 -5.616 -4.356 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.424 -9.292 -5.214 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.277 -6.271 -5.946 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.192 -9.916 -6.830 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.107 -8.385 -7.229 1.00 0.00 H new ATOM 591 N TRP A 37 -3.257 -5.859 -1.415 1.00 0.00 N ATOM 592 CA TRP A 37 -2.162 -6.078 -0.483 1.00 0.00 C ATOM 593 C TRP A 37 -2.609 -5.958 0.979 1.00 0.00 C ATOM 594 O TRP A 37 -1.858 -6.390 1.847 1.00 0.00 O ATOM 595 CB TRP A 37 -1.016 -5.100 -0.754 1.00 0.00 C ATOM 596 CG TRP A 37 -0.145 -5.331 -1.945 1.00 0.00 C ATOM 597 CD1 TRP A 37 -0.152 -4.601 -3.080 1.00 0.00 C ATOM 598 CD2 TRP A 37 0.912 -6.319 -2.108 1.00 0.00 C ATOM 599 NE1 TRP A 37 0.858 -5.042 -3.910 1.00 0.00 N ATOM 600 CE2 TRP A 37 1.540 -6.112 -3.367 1.00 0.00 C ATOM 601 CE3 TRP A 37 1.388 -7.389 -1.328 1.00 0.00 C ATOM 602 CZ2 TRP A 37 2.595 -6.922 -3.816 1.00 0.00 C ATOM 603 CZ3 TRP A 37 2.464 -8.189 -1.754 1.00 0.00 C ATOM 604 CH2 TRP A 37 3.096 -7.933 -2.984 1.00 0.00 C ATOM 0 H TRP A 37 -3.152 -5.026 -1.994 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.814 -7.099 -0.642 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.447 -4.103 -0.847 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.375 -5.089 0.128 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.839 -3.799 -3.303 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.075 -4.627 -4.816 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.916 -7.601 -0.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.019 -6.767 -4.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.806 -9.004 -1.133 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.958 -8.509 -3.285 1.00 0.00 H new ATOM 615 N ALA A 38 -3.791 -5.417 1.302 1.00 0.00 N ATOM 616 CA ALA A 38 -4.320 -5.442 2.666 1.00 0.00 C ATOM 617 C ALA A 38 -5.075 -6.729 2.954 1.00 0.00 C ATOM 618 O ALA A 38 -6.007 -6.703 3.753 1.00 0.00 O ATOM 619 CB ALA A 38 -5.270 -4.243 2.816 1.00 0.00 C ATOM 0 H ALA A 38 -4.401 -4.954 0.629 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.493 -5.387 3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.684 -4.231 3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.720 -3.319 2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.080 -4.328 2.092 1.00 0.00 H new ATOM 625 N LEU A 39 -4.598 -7.853 2.417 1.00 0.00 N ATOM 626 CA LEU A 39 -5.264 -9.146 2.406 1.00 0.00 C ATOM 627 C LEU A 39 -4.439 -10.130 1.581 1.00 0.00 C ATOM 628 O LEU A 39 -4.900 -10.716 0.603 1.00 0.00 O ATOM 629 CB LEU A 39 -6.766 -9.054 2.077 1.00 0.00 C ATOM 630 CG LEU A 39 -7.240 -8.397 0.765 1.00 0.00 C ATOM 631 CD1 LEU A 39 -8.738 -8.683 0.666 1.00 0.00 C ATOM 632 CD2 LEU A 39 -7.151 -6.870 0.654 1.00 0.00 C ATOM 0 H LEU A 39 -3.689 -7.882 1.955 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.296 -9.557 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.161 -10.070 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.243 -8.517 2.897 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.581 -8.807 -0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.133 -8.240 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.902 -9.760 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.248 -8.253 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.519 -6.554 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.757 -6.412 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.113 -6.557 0.770 1.00 0.00 H new ATOM 644 N GLU A 40 -3.202 -10.317 2.042 1.00 0.00 N ATOM 645 CA GLU A 40 -2.221 -11.317 1.617 1.00 0.00 C ATOM 646 C GLU A 40 -1.653 -12.048 2.841 1.00 0.00 C ATOM 647 O GLU A 40 -1.969 -11.695 3.980 1.00 0.00 O ATOM 648 CB GLU A 40 -1.078 -10.616 0.861 1.00 0.00 C ATOM 649 CG GLU A 40 -1.554 -9.992 -0.446 1.00 0.00 C ATOM 650 CD GLU A 40 -1.646 -11.037 -1.575 1.00 0.00 C ATOM 651 OE1 GLU A 40 -2.434 -12.007 -1.484 1.00 0.00 O ATOM 652 OE2 GLU A 40 -0.860 -10.947 -2.547 1.00 0.00 O ATOM 0 H GLU A 40 -2.829 -9.724 2.784 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.706 -12.042 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.645 -9.842 1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.287 -11.336 0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.531 -9.532 -0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.869 -9.197 -0.741 1.00 0.00 H new ATOM 659 N GLU A 41 -0.784 -13.038 2.619 1.00 0.00 N ATOM 660 CA GLU A 41 -0.093 -13.827 3.636 1.00 0.00 C ATOM 661 C GLU A 41 1.406 -13.548 3.580 1.00 0.00 C ATOM 662 O GLU A 41 2.090 -14.124 2.726 1.00 0.00 O ATOM 663 CB GLU A 41 -0.338 -15.326 3.387 1.00 0.00 C ATOM 664 CG GLU A 41 -1.408 -15.976 4.263 1.00 0.00 C ATOM 665 CD GLU A 41 -1.190 -17.487 4.193 1.00 0.00 C ATOM 666 OE1 GLU A 41 -0.267 -17.974 4.886 1.00 0.00 O ATOM 667 OE2 GLU A 41 -1.807 -18.158 3.329 1.00 0.00 O ATOM 0 H GLU A 41 -0.532 -13.324 1.673 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.478 -13.552 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.618 -15.461 2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.601 -15.859 3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.330 -15.623 5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.406 -15.714 3.910 1.00 0.00 H new ATOM 674 N LEU A 42 1.918 -12.677 4.460 1.00 0.00 N ATOM 675 CA LEU A 42 3.344 -12.410 4.640 1.00 0.00 C ATOM 676 C LEU A 42 3.524 -11.544 5.904 1.00 0.00 C ATOM 677 O LEU A 42 2.885 -11.809 6.916 1.00 0.00 O ATOM 678 CB LEU A 42 3.936 -11.787 3.356 1.00 0.00 C ATOM 679 CG LEU A 42 5.245 -12.413 2.829 1.00 0.00 C ATOM 680 CD1 LEU A 42 6.346 -12.531 3.874 1.00 0.00 C ATOM 681 CD2 LEU A 42 5.047 -13.780 2.174 1.00 0.00 C ATOM 0 H LEU A 42 1.330 -12.124 5.083 1.00 0.00 H new ATOM 0 HA LEU A 42 3.904 -13.331 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.186 -11.851 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.114 -10.728 3.541 1.00 0.00 H new ATOM 0 HG LEU A 42 5.566 -11.698 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.230 -12.980 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.596 -11.540 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.001 -13.157 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.008 -14.160 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.623 -14.474 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.368 -13.683 1.327 1.00 0.00 H new ATOM 693 N GLU A 43 4.417 -10.553 5.888 1.00 0.00 N ATOM 694 CA GLU A 43 4.634 -9.557 6.932 1.00 0.00 C ATOM 695 C GLU A 43 5.042 -8.243 6.251 1.00 0.00 C ATOM 696 O GLU A 43 5.620 -8.284 5.163 1.00 0.00 O ATOM 697 CB GLU A 43 5.760 -10.016 7.893 1.00 0.00 C ATOM 698 CG GLU A 43 7.001 -10.613 7.185 1.00 0.00 C ATOM 699 CD GLU A 43 8.352 -10.202 7.779 1.00 0.00 C ATOM 700 OE1 GLU A 43 8.865 -9.132 7.378 1.00 0.00 O ATOM 701 OE2 GLU A 43 9.017 -11.010 8.470 1.00 0.00 O ATOM 0 H GLU A 43 5.045 -10.419 5.096 1.00 0.00 H new ATOM 0 HA GLU A 43 3.722 -9.424 7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.075 -9.165 8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.355 -10.760 8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.926 -11.700 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.978 -10.317 6.136 1.00 0.00 H new ATOM 708 N THR A 44 4.890 -7.107 6.926 1.00 0.00 N ATOM 709 CA THR A 44 5.619 -5.849 6.738 1.00 0.00 C ATOM 710 C THR A 44 5.964 -5.311 8.123 1.00 0.00 C ATOM 711 O THR A 44 5.065 -5.031 8.920 1.00 0.00 O ATOM 712 CB THR A 44 4.835 -4.778 5.972 1.00 0.00 C ATOM 713 OG1 THR A 44 5.610 -3.610 5.902 1.00 0.00 O ATOM 714 CG2 THR A 44 3.433 -4.462 6.489 1.00 0.00 C ATOM 0 H THR A 44 4.203 -7.033 7.676 1.00 0.00 H new ATOM 0 HA THR A 44 6.500 -6.067 6.134 1.00 0.00 H new ATOM 0 HB THR A 44 4.652 -5.204 4.985 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.250 -2.941 6.521 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.981 -3.690 5.866 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.820 -5.363 6.453 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.496 -4.107 7.518 1.00 0.00 H new ATOM 722 N PRO A 45 7.250 -5.077 8.405 1.00 0.00 N ATOM 723 CA PRO A 45 7.604 -4.202 9.494 1.00 0.00 C ATOM 724 C PRO A 45 7.513 -2.709 9.105 1.00 0.00 C ATOM 725 O PRO A 45 7.535 -1.843 9.979 1.00 0.00 O ATOM 726 CB PRO A 45 9.009 -4.646 9.847 1.00 0.00 C ATOM 727 CG PRO A 45 9.630 -5.124 8.534 1.00 0.00 C ATOM 728 CD PRO A 45 8.433 -5.510 7.676 1.00 0.00 C ATOM 0 HA PRO A 45 6.922 -4.274 10.342 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.583 -3.825 10.277 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.993 -5.446 10.587 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.221 -4.338 8.063 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.296 -5.972 8.693 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.485 -5.030 6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.410 -6.586 7.502 1.00 0.00 H new ATOM 736 N ALA A 46 7.384 -2.395 7.811 1.00 0.00 N ATOM 737 CA ALA A 46 7.228 -1.045 7.294 1.00 0.00 C ATOM 738 C ALA A 46 5.789 -0.563 7.468 1.00 0.00 C ATOM 739 O ALA A 46 4.869 -1.381 7.594 1.00 0.00 O ATOM 740 CB ALA A 46 7.604 -1.035 5.805 1.00 0.00 C ATOM 0 H ALA A 46 7.386 -3.103 7.076 1.00 0.00 H new ATOM 0 HA ALA A 46 7.882 -0.372 7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.490 -0.026 5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.639 -1.356 5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.950 -1.716 5.260 1.00 0.00 H new ATOM 746 N LYS A 47 5.561 0.754 7.371 1.00 0.00 N ATOM 747 CA LYS A 47 4.226 1.302 7.536 1.00 0.00 C ATOM 748 C LYS A 47 3.469 1.073 6.251 1.00 0.00 C ATOM 749 O LYS A 47 3.955 1.377 5.157 1.00 0.00 O ATOM 750 CB LYS A 47 4.249 2.788 7.875 1.00 0.00 C ATOM 751 CG LYS A 47 5.311 3.531 7.070 1.00 0.00 C ATOM 752 CD LYS A 47 5.010 4.997 6.840 1.00 0.00 C ATOM 753 CE LYS A 47 4.662 5.272 5.378 1.00 0.00 C ATOM 754 NZ LYS A 47 3.236 5.122 5.042 1.00 0.00 N ATOM 0 H LYS A 47 6.284 1.448 7.180 1.00 0.00 H new ATOM 0 HA LYS A 47 3.739 0.800 8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.270 3.223 7.675 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.443 2.916 8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.267 3.446 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.426 3.040 6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.180 5.304 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.873 5.597 7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.974 6.286 5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.242 4.597 4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.931 5.925 4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.095 4.236 4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.674 5.099 5.917 1.00 0.00 H new ATOM 768 N VAL A 48 2.263 0.567 6.408 1.00 0.00 N ATOM 769 CA VAL A 48 1.388 0.166 5.342 1.00 0.00 C ATOM 770 C VAL A 48 0.061 0.788 5.686 1.00 0.00 C ATOM 771 O VAL A 48 -0.425 0.683 6.807 1.00 0.00 O ATOM 772 CB VAL A 48 1.357 -1.367 5.241 1.00 0.00 C ATOM 773 CG1 VAL A 48 0.207 -1.840 4.342 1.00 0.00 C ATOM 774 CG2 VAL A 48 2.725 -1.792 4.673 1.00 0.00 C ATOM 0 H VAL A 48 1.853 0.420 7.330 1.00 0.00 H new ATOM 0 HA VAL A 48 1.707 0.499 4.354 1.00 0.00 H new ATOM 0 HB VAL A 48 1.183 -1.821 6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.210 -2.929 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.742 -1.500 4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.335 -1.428 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.759 -2.877 4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.868 -1.339 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.517 -1.461 5.345 1.00 0.00 H new ATOM 784 N TYR A 49 -0.478 1.493 4.710 1.00 0.00 N ATOM 785 CA TYR A 49 -1.754 2.154 4.782 1.00 0.00 C ATOM 786 C TYR A 49 -2.370 1.989 3.383 1.00 0.00 C ATOM 787 O TYR A 49 -1.632 1.815 2.417 1.00 0.00 O ATOM 788 CB TYR A 49 -1.509 3.621 5.164 1.00 0.00 C ATOM 789 CG TYR A 49 -0.904 3.945 6.543 1.00 0.00 C ATOM 790 CD1 TYR A 49 0.488 4.089 6.776 1.00 0.00 C ATOM 791 CD2 TYR A 49 -1.783 4.200 7.612 1.00 0.00 C ATOM 792 CE1 TYR A 49 0.945 4.581 8.019 1.00 0.00 C ATOM 793 CE2 TYR A 49 -1.331 4.625 8.871 1.00 0.00 C ATOM 794 CZ TYR A 49 0.045 4.838 9.074 1.00 0.00 C ATOM 795 OH TYR A 49 0.521 5.291 10.267 1.00 0.00 O ATOM 0 H TYR A 49 -0.014 1.622 3.811 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.433 1.745 5.530 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.853 4.052 4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.463 4.143 5.093 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.196 3.823 6.005 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.843 4.064 7.458 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.000 4.763 8.164 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.032 4.787 9.676 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.225 5.420 10.889 1.00 0.00 H new ATOM 805 N ALA A 50 -3.689 2.022 3.232 1.00 0.00 N ATOM 806 CA ALA A 50 -4.394 1.708 1.981 1.00 0.00 C ATOM 807 C ALA A 50 -5.381 2.837 1.682 1.00 0.00 C ATOM 808 O ALA A 50 -5.848 3.462 2.636 1.00 0.00 O ATOM 809 CB ALA A 50 -5.127 0.391 2.217 1.00 0.00 C ATOM 0 H ALA A 50 -4.320 2.274 3.993 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.717 1.615 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.670 0.110 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.405 -0.388 2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.830 0.509 3.042 1.00 0.00 H new ATOM 815 N ILE A 51 -5.721 3.126 0.415 1.00 0.00 N ATOM 816 CA ILE A 51 -6.640 4.207 0.121 1.00 0.00 C ATOM 817 C ILE A 51 -8.049 3.677 0.304 1.00 0.00 C ATOM 818 O ILE A 51 -8.551 2.853 -0.451 1.00 0.00 O ATOM 819 CB ILE A 51 -6.337 4.843 -1.254 1.00 0.00 C ATOM 820 CG1 ILE A 51 -5.003 5.604 -1.294 1.00 0.00 C ATOM 821 CG2 ILE A 51 -7.473 5.793 -1.686 1.00 0.00 C ATOM 822 CD1 ILE A 51 -4.773 6.631 -0.184 1.00 0.00 C ATOM 0 H ILE A 51 -5.372 2.627 -0.403 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.519 5.041 0.812 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.260 4.008 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.193 4.876 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.930 6.116 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.235 6.227 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.407 5.235 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.582 6.589 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.799 7.101 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.552 7.392 -0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.804 6.133 0.785 1.00 0.00 H new ATOM 834 N LYS A 52 -8.697 4.201 1.336 1.00 0.00 N ATOM 835 CA LYS A 52 -10.057 3.890 1.700 1.00 0.00 C ATOM 836 C LYS A 52 -11.007 4.136 0.547 1.00 0.00 C ATOM 837 O LYS A 52 -11.783 3.253 0.222 1.00 0.00 O ATOM 838 CB LYS A 52 -10.381 4.694 2.962 1.00 0.00 C ATOM 839 CG LYS A 52 -11.646 4.198 3.650 1.00 0.00 C ATOM 840 CD LYS A 52 -11.706 4.694 5.101 1.00 0.00 C ATOM 841 CE LYS A 52 -12.756 5.788 5.289 1.00 0.00 C ATOM 842 NZ LYS A 52 -13.332 5.727 6.651 1.00 0.00 N ATOM 0 H LYS A 52 -8.265 4.881 1.962 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.179 2.830 1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.543 4.631 3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.500 5.745 2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.523 4.547 3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.672 3.108 3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.933 3.857 5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.728 5.076 5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.304 6.766 5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.547 5.672 4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.541 6.690 6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.210 5.170 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.651 5.278 7.296 1.00 0.00 H new ATOM 856 N ASP A 53 -10.963 5.311 -0.075 1.00 0.00 N ATOM 857 CA ASP A 53 -11.888 5.620 -1.164 1.00 0.00 C ATOM 858 C ASP A 53 -11.744 4.642 -2.313 1.00 0.00 C ATOM 859 O ASP A 53 -12.755 4.108 -2.758 1.00 0.00 O ATOM 860 CB ASP A 53 -11.710 7.044 -1.694 1.00 0.00 C ATOM 861 CG ASP A 53 -12.468 8.052 -0.846 1.00 0.00 C ATOM 862 OD1 ASP A 53 -13.625 7.796 -0.446 1.00 0.00 O ATOM 863 OD2 ASP A 53 -11.868 9.080 -0.478 1.00 0.00 O ATOM 0 H ASP A 53 -10.306 6.057 0.152 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.888 5.532 -0.738 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.650 7.300 -1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.061 7.096 -2.725 1.00 0.00 H new ATOM 868 N ASP A 54 -10.525 4.384 -2.797 1.00 0.00 N ATOM 869 CA ASP A 54 -10.386 3.443 -3.894 1.00 0.00 C ATOM 870 C ASP A 54 -10.677 2.009 -3.479 1.00 0.00 C ATOM 871 O ASP A 54 -11.252 1.303 -4.298 1.00 0.00 O ATOM 872 CB ASP A 54 -9.103 3.581 -4.714 1.00 0.00 C ATOM 873 CG ASP A 54 -7.759 3.371 -4.057 1.00 0.00 C ATOM 874 OD1 ASP A 54 -7.559 2.377 -3.344 1.00 0.00 O ATOM 875 OD2 ASP A 54 -6.848 4.131 -4.464 1.00 0.00 O ATOM 0 H ASP A 54 -9.657 4.798 -2.458 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.170 3.733 -4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.172 2.877 -5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.100 4.582 -5.145 1.00 0.00 H new ATOM 880 N PHE A 55 -10.442 1.602 -2.228 1.00 0.00 N ATOM 881 CA PHE A 55 -10.846 0.291 -1.709 1.00 0.00 C ATOM 882 C PHE A 55 -12.362 0.132 -1.778 1.00 0.00 C ATOM 883 O PHE A 55 -12.876 -0.869 -2.277 1.00 0.00 O ATOM 884 CB PHE A 55 -10.357 0.124 -0.259 1.00 0.00 C ATOM 885 CG PHE A 55 -10.437 -1.272 0.346 1.00 0.00 C ATOM 886 CD1 PHE A 55 -9.914 -2.382 -0.340 1.00 0.00 C ATOM 887 CD2 PHE A 55 -10.943 -1.462 1.645 1.00 0.00 C ATOM 888 CE1 PHE A 55 -9.799 -3.636 0.281 1.00 0.00 C ATOM 889 CE2 PHE A 55 -10.883 -2.731 2.245 1.00 0.00 C ATOM 890 CZ PHE A 55 -10.301 -3.817 1.574 1.00 0.00 C ATOM 0 H PHE A 55 -9.960 2.180 -1.539 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.391 -0.483 -2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.319 0.453 -0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.934 0.799 0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.594 -2.268 -1.365 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.378 -0.632 2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.325 -4.457 -0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.290 -2.872 3.235 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.241 -4.784 2.051 1.00 0.00 H new ATOM 900 N LEU A 56 -13.084 1.147 -1.309 1.00 0.00 N ATOM 901 CA LEU A 56 -14.536 1.218 -1.325 1.00 0.00 C ATOM 902 C LEU A 56 -15.044 1.280 -2.755 1.00 0.00 C ATOM 903 O LEU A 56 -16.075 0.682 -3.071 1.00 0.00 O ATOM 904 CB LEU A 56 -14.972 2.463 -0.543 1.00 0.00 C ATOM 905 CG LEU A 56 -14.663 2.352 0.964 1.00 0.00 C ATOM 906 CD1 LEU A 56 -14.872 3.729 1.604 1.00 0.00 C ATOM 907 CD2 LEU A 56 -15.581 1.340 1.662 1.00 0.00 C ATOM 0 H LEU A 56 -12.653 1.972 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.957 0.327 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.468 3.339 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -16.042 2.618 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.634 2.010 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.658 3.670 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -14.202 4.452 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.905 4.045 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.330 1.292 2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.619 1.652 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.446 0.356 1.212 1.00 0.00 H new ATOM 919 N ALA A 57 -14.311 1.951 -3.646 1.00 0.00 N ATOM 920 CA ALA A 57 -14.609 1.935 -5.066 1.00 0.00 C ATOM 921 C ALA A 57 -14.352 0.543 -5.664 1.00 0.00 C ATOM 922 O ALA A 57 -14.882 0.226 -6.736 1.00 0.00 O ATOM 923 CB ALA A 57 -13.799 3.003 -5.810 1.00 0.00 C ATOM 0 H ALA A 57 -13.499 2.516 -3.398 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.667 2.168 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.041 2.969 -6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.044 3.988 -5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.734 2.812 -5.675 1.00 0.00 H new ATOM 929 N ARG A 58 -13.575 -0.312 -4.989 1.00 0.00 N ATOM 930 CA ARG A 58 -13.194 -1.639 -5.473 1.00 0.00 C ATOM 931 C ARG A 58 -14.039 -2.701 -4.766 1.00 0.00 C ATOM 932 O ARG A 58 -13.560 -3.810 -4.547 1.00 0.00 O ATOM 933 CB ARG A 58 -11.680 -1.828 -5.194 1.00 0.00 C ATOM 934 CG ARG A 58 -10.846 -2.498 -6.292 1.00 0.00 C ATOM 935 CD ARG A 58 -10.313 -3.850 -5.853 1.00 0.00 C ATOM 936 NE ARG A 58 -11.409 -4.825 -5.761 1.00 0.00 N ATOM 937 CZ ARG A 58 -12.029 -5.447 -6.765 1.00 0.00 C ATOM 938 NH1 ARG A 58 -11.467 -5.471 -7.965 1.00 0.00 N ATOM 939 NH2 ARG A 58 -13.205 -6.020 -6.535 1.00 0.00 N ATOM 0 H ARG A 58 -13.187 -0.094 -4.072 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.374 -1.739 -6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.248 -0.848 -4.992 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.575 -2.417 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.456 -2.621 -7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.013 -1.849 -6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.564 -4.201 -6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.818 -3.757 -4.886 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.733 -5.052 -4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.567 -5.016 -8.116 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.935 -5.945 -8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.619 -5.980 -5.603 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.695 -6.500 -7.290 1.00 0.00 H new ATOM 953 N GLY A 59 -15.319 -2.429 -4.512 1.00 0.00 N ATOM 954 CA GLY A 59 -16.241 -3.409 -3.951 1.00 0.00 C ATOM 955 C GLY A 59 -15.660 -4.193 -2.771 1.00 0.00 C ATOM 956 O GLY A 59 -15.728 -5.426 -2.761 1.00 0.00 O ATOM 0 H GLY A 59 -15.744 -1.519 -4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -17.147 -2.898 -3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.533 -4.110 -4.733 1.00 0.00 H new ATOM 960 N TYR A 60 -15.069 -3.479 -1.814 1.00 0.00 N ATOM 961 CA TYR A 60 -14.701 -3.956 -0.498 1.00 0.00 C ATOM 962 C TYR A 60 -15.499 -3.149 0.528 1.00 0.00 C ATOM 963 O TYR A 60 -16.251 -2.236 0.173 1.00 0.00 O ATOM 964 CB TYR A 60 -13.189 -3.788 -0.303 1.00 0.00 C ATOM 965 CG TYR A 60 -12.317 -4.841 -0.965 1.00 0.00 C ATOM 966 CD1 TYR A 60 -12.092 -6.064 -0.308 1.00 0.00 C ATOM 967 CD2 TYR A 60 -11.630 -4.568 -2.164 1.00 0.00 C ATOM 968 CE1 TYR A 60 -11.305 -7.061 -0.902 1.00 0.00 C ATOM 969 CE2 TYR A 60 -10.764 -5.534 -2.715 1.00 0.00 C ATOM 970 CZ TYR A 60 -10.634 -6.803 -2.116 1.00 0.00 C ATOM 971 OH TYR A 60 -9.847 -7.757 -2.695 1.00 0.00 O ATOM 0 H TYR A 60 -14.824 -2.499 -1.952 1.00 0.00 H new ATOM 0 HA TYR A 60 -14.931 -5.014 -0.376 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -12.899 -2.810 -0.686 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -12.977 -3.788 0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.530 -6.237 0.664 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.767 -3.619 -2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.212 -8.028 -0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -10.196 -5.300 -3.603 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.326 -7.355 -3.421 1.00 0.00 H new ATOM 981 N SER A 61 -15.370 -3.518 1.792 1.00 0.00 N ATOM 982 CA SER A 61 -15.880 -2.861 2.978 1.00 0.00 C ATOM 983 C SER A 61 -14.673 -2.513 3.835 1.00 0.00 C ATOM 984 O SER A 61 -13.623 -3.145 3.702 1.00 0.00 O ATOM 985 CB SER A 61 -16.775 -3.863 3.714 1.00 0.00 C ATOM 986 OG SER A 61 -17.572 -3.273 4.721 1.00 0.00 O ATOM 0 H SER A 61 -14.856 -4.366 2.033 1.00 0.00 H new ATOM 0 HA SER A 61 -16.454 -1.963 2.748 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.424 -4.358 2.991 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.150 -4.635 4.162 1.00 0.00 H new ATOM 0 HG SER A 61 -18.120 -3.963 5.151 1.00 0.00 H new ATOM 992 N GLU A 62 -14.810 -1.570 4.762 1.00 0.00 N ATOM 993 CA GLU A 62 -13.681 -1.162 5.586 1.00 0.00 C ATOM 994 C GLU A 62 -13.198 -2.331 6.450 1.00 0.00 C ATOM 995 O GLU A 62 -11.996 -2.530 6.624 1.00 0.00 O ATOM 996 CB GLU A 62 -13.995 0.086 6.427 1.00 0.00 C ATOM 997 CG GLU A 62 -14.411 1.276 5.548 1.00 0.00 C ATOM 998 CD GLU A 62 -14.347 2.652 6.229 1.00 0.00 C ATOM 999 OE1 GLU A 62 -13.603 2.852 7.219 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -14.938 3.606 5.675 1.00 0.00 O ATOM 0 H GLU A 62 -15.682 -1.079 4.959 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.867 -0.878 4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.794 -0.142 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.119 0.358 7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.771 1.296 4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.430 1.109 5.199 1.00 0.00 H new ATOM 1007 N GLU A 63 -14.128 -3.167 6.918 1.00 0.00 N ATOM 1008 CA GLU A 63 -13.808 -4.351 7.702 1.00 0.00 C ATOM 1009 C GLU A 63 -13.087 -5.446 6.894 1.00 0.00 C ATOM 1010 O GLU A 63 -12.566 -6.392 7.492 1.00 0.00 O ATOM 1011 CB GLU A 63 -15.082 -4.916 8.359 1.00 0.00 C ATOM 1012 CG GLU A 63 -15.158 -4.609 9.863 1.00 0.00 C ATOM 1013 CD GLU A 63 -15.746 -3.252 10.254 1.00 0.00 C ATOM 1014 OE1 GLU A 63 -16.162 -2.450 9.383 1.00 0.00 O ATOM 1015 OE2 GLU A 63 -15.782 -2.972 11.477 1.00 0.00 O ATOM 0 H GLU A 63 -15.127 -3.037 6.760 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.107 -4.031 8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.958 -4.499 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.115 -5.995 8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.752 -5.388 10.341 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.152 -4.677 10.276 1.00 0.00 H new ATOM 1022 N ASP A 64 -13.052 -5.362 5.560 1.00 0.00 N ATOM 1023 CA ASP A 64 -12.467 -6.411 4.723 1.00 0.00 C ATOM 1024 C ASP A 64 -10.947 -6.298 4.661 1.00 0.00 C ATOM 1025 O ASP A 64 -10.276 -7.300 4.410 1.00 0.00 O ATOM 1026 CB ASP A 64 -12.960 -6.348 3.273 1.00 0.00 C ATOM 1027 CG ASP A 64 -14.438 -6.639 3.053 1.00 0.00 C ATOM 1028 OD1 ASP A 64 -15.082 -7.318 3.885 1.00 0.00 O ATOM 1029 OD2 ASP A 64 -14.965 -6.221 2.002 1.00 0.00 O ATOM 0 H ASP A 64 -13.425 -4.571 5.035 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.776 -7.346 5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.744 -5.354 2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.380 -7.057 2.683 1.00 0.00 H new ATOM 1034 N SER A 65 -10.380 -5.099 4.835 1.00 0.00 N ATOM 1035 CA SER A 65 -8.930 -4.938 4.769 1.00 0.00 C ATOM 1036 C SER A 65 -8.346 -5.323 6.137 1.00 0.00 C ATOM 1037 O SER A 65 -9.031 -5.182 7.158 1.00 0.00 O ATOM 1038 CB SER A 65 -8.564 -3.503 4.346 1.00 0.00 C ATOM 1039 OG SER A 65 -7.511 -2.903 5.078 1.00 0.00 O ATOM 0 H SER A 65 -10.897 -4.240 5.020 1.00 0.00 H new ATOM 0 HA SER A 65 -8.500 -5.593 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.291 -3.512 3.291 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.452 -2.877 4.440 1.00 0.00 H new ATOM 0 HG SER A 65 -7.883 -2.265 5.722 1.00 0.00 H new ATOM 1045 N LYS A 66 -7.062 -5.698 6.195 1.00 0.00 N ATOM 1046 CA LYS A 66 -6.376 -5.892 7.474 1.00 0.00 C ATOM 1047 C LYS A 66 -5.301 -4.833 7.704 1.00 0.00 C ATOM 1048 O LYS A 66 -4.351 -5.086 8.446 1.00 0.00 O ATOM 1049 CB LYS A 66 -5.747 -7.305 7.396 1.00 0.00 C ATOM 1050 CG LYS A 66 -4.402 -7.401 6.631 1.00 0.00 C ATOM 1051 CD LYS A 66 -4.285 -8.743 5.921 1.00 0.00 C ATOM 1052 CE LYS A 66 -3.004 -8.917 5.091 1.00 0.00 C ATOM 1053 NZ LYS A 66 -1.841 -9.253 5.936 1.00 0.00 N ATOM 0 H LYS A 66 -6.482 -5.872 5.374 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.070 -5.799 8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.593 -7.671 8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.463 -7.976 6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.332 -6.592 5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.572 -7.278 7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.331 -9.538 6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.147 -8.869 5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.155 -9.704 4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.800 -7.998 4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.970 -9.179 5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.792 -8.592 6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.941 -10.224 6.294 1.00 0.00 H new ATOM 1067 N VAL A 67 -5.500 -3.593 7.258 1.00 0.00 N ATOM 1068 CA VAL A 67 -4.499 -2.526 7.371 1.00 0.00 C ATOM 1069 C VAL A 67 -5.260 -1.202 7.505 1.00 0.00 C ATOM 1070 O VAL A 67 -6.441 -1.139 7.150 1.00 0.00 O ATOM 1071 CB VAL A 67 -3.482 -2.556 6.194 1.00 0.00 C ATOM 1072 CG1 VAL A 67 -3.000 -3.969 5.831 1.00 0.00 C ATOM 1073 CG2 VAL A 67 -3.942 -1.800 4.940 1.00 0.00 C ATOM 0 H VAL A 67 -6.364 -3.296 6.805 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.877 -2.665 8.255 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.626 -2.010 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.294 -3.911 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.510 -4.419 6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.853 -4.580 5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.174 -1.872 4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.869 -2.238 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.110 -0.752 5.188 1.00 0.00 H new ATOM 1083 N PRO A 68 -4.619 -0.135 8.005 1.00 0.00 N ATOM 1084 CA PRO A 68 -5.275 1.142 8.208 1.00 0.00 C ATOM 1085 C PRO A 68 -5.655 1.766 6.864 1.00 0.00 C ATOM 1086 O PRO A 68 -4.803 2.068 6.020 1.00 0.00 O ATOM 1087 CB PRO A 68 -4.331 1.969 9.078 1.00 0.00 C ATOM 1088 CG PRO A 68 -2.959 1.337 8.856 1.00 0.00 C ATOM 1089 CD PRO A 68 -3.250 -0.104 8.484 1.00 0.00 C ATOM 0 HA PRO A 68 -6.229 1.062 8.729 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.337 3.019 8.784 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.621 1.930 10.128 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.412 1.847 8.063 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.346 1.397 9.755 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.561 -0.453 7.715 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.125 -0.760 9.345 1.00 0.00 H new ATOM 1097 N LEU A 69 -6.963 1.900 6.668 1.00 0.00 N ATOM 1098 CA LEU A 69 -7.607 2.483 5.510 1.00 0.00 C ATOM 1099 C LEU A 69 -7.677 3.978 5.742 1.00 0.00 C ATOM 1100 O LEU A 69 -8.403 4.445 6.620 1.00 0.00 O ATOM 1101 CB LEU A 69 -9.018 1.889 5.360 1.00 0.00 C ATOM 1102 CG LEU A 69 -9.058 0.407 4.978 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -10.481 -0.093 5.210 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -8.699 0.210 3.504 1.00 0.00 C ATOM 0 H LEU A 69 -7.639 1.582 7.362 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.053 2.271 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.553 2.021 6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.557 2.459 4.603 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.336 -0.143 5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.543 -1.149 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.745 0.035 6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.173 0.477 4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.735 -0.852 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.411 0.750 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.694 0.591 3.320 1.00 0.00 H new ATOM 1116 N ILE A 70 -6.900 4.722 4.971 1.00 0.00 N ATOM 1117 CA ILE A 70 -6.696 6.154 5.128 1.00 0.00 C ATOM 1118 C ILE A 70 -7.252 6.902 3.913 1.00 0.00 C ATOM 1119 O ILE A 70 -7.632 6.286 2.914 1.00 0.00 O ATOM 1120 CB ILE A 70 -5.204 6.429 5.401 1.00 0.00 C ATOM 1121 CG1 ILE A 70 -4.324 6.318 4.134 1.00 0.00 C ATOM 1122 CG2 ILE A 70 -4.695 5.534 6.540 1.00 0.00 C ATOM 1123 CD1 ILE A 70 -2.867 6.748 4.324 1.00 0.00 C ATOM 0 H ILE A 70 -6.374 4.331 4.189 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.248 6.531 5.989 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.120 7.468 5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.341 5.285 3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.768 6.927 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.640 5.740 6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.265 5.739 7.446 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.818 4.487 6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.329 6.635 3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.834 7.791 4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.400 6.124 5.086 1.00 0.00 H new ATOM 1135 N THR A 71 -7.317 8.226 3.980 1.00 0.00 N ATOM 1136 CA THR A 71 -7.731 9.029 2.844 1.00 0.00 C ATOM 1137 C THR A 71 -6.548 9.242 1.891 1.00 0.00 C ATOM 1138 O THR A 71 -5.386 9.009 2.232 1.00 0.00 O ATOM 1139 CB THR A 71 -8.255 10.374 3.354 1.00 0.00 C ATOM 1140 OG1 THR A 71 -7.236 11.050 4.052 1.00 0.00 O ATOM 1141 CG2 THR A 71 -9.469 10.194 4.271 1.00 0.00 C ATOM 0 H THR A 71 -7.086 8.765 4.815 1.00 0.00 H new ATOM 0 HA THR A 71 -8.521 8.515 2.297 1.00 0.00 H new ATOM 0 HB THR A 71 -8.566 10.960 2.489 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.147 11.960 3.700 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.814 11.170 4.614 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.270 9.699 3.722 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.189 9.586 5.131 1.00 0.00 H new ATOM 1149 N TYR A 72 -6.833 9.793 0.715 1.00 0.00 N ATOM 1150 CA TYR A 72 -5.825 10.309 -0.191 1.00 0.00 C ATOM 1151 C TYR A 72 -4.940 11.344 0.506 1.00 0.00 C ATOM 1152 O TYR A 72 -3.728 11.274 0.363 1.00 0.00 O ATOM 1153 CB TYR A 72 -6.497 10.906 -1.435 1.00 0.00 C ATOM 1154 CG TYR A 72 -7.061 9.913 -2.443 1.00 0.00 C ATOM 1155 CD1 TYR A 72 -6.241 8.887 -2.946 1.00 0.00 C ATOM 1156 CD2 TYR A 72 -8.362 10.073 -2.964 1.00 0.00 C ATOM 1157 CE1 TYR A 72 -6.690 8.062 -3.989 1.00 0.00 C ATOM 1158 CE2 TYR A 72 -8.827 9.238 -4.001 1.00 0.00 C ATOM 1159 CZ TYR A 72 -7.977 8.244 -4.539 1.00 0.00 C ATOM 1160 OH TYR A 72 -8.383 7.470 -5.588 1.00 0.00 O ATOM 0 H TYR A 72 -7.786 9.893 0.364 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.182 9.486 -0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.307 11.557 -1.106 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.770 11.536 -1.947 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.258 8.733 -2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.008 10.842 -2.565 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.047 7.284 -4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.830 9.357 -4.383 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.294 7.721 -5.847 1.00 0.00 H new ATOM 1170 N SER A 73 -5.499 12.284 1.273 1.00 0.00 N ATOM 1171 CA SER A 73 -4.673 13.309 1.900 1.00 0.00 C ATOM 1172 C SER A 73 -3.725 12.710 2.944 1.00 0.00 C ATOM 1173 O SER A 73 -2.555 13.099 3.001 1.00 0.00 O ATOM 1174 CB SER A 73 -5.555 14.409 2.477 1.00 0.00 C ATOM 1175 OG SER A 73 -6.506 13.918 3.401 1.00 0.00 O ATOM 0 H SER A 73 -6.497 12.354 1.470 1.00 0.00 H new ATOM 0 HA SER A 73 -4.036 13.759 1.138 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.927 15.152 2.969 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.073 14.917 1.664 1.00 0.00 H new ATOM 0 HG SER A 73 -7.045 14.662 3.743 1.00 0.00 H new ATOM 1181 N GLU A 74 -4.194 11.719 3.712 1.00 0.00 N ATOM 1182 CA GLU A 74 -3.356 11.009 4.676 1.00 0.00 C ATOM 1183 C GLU A 74 -2.186 10.315 3.963 1.00 0.00 C ATOM 1184 O GLU A 74 -1.101 10.223 4.534 1.00 0.00 O ATOM 1185 CB GLU A 74 -4.177 9.995 5.489 1.00 0.00 C ATOM 1186 CG GLU A 74 -5.202 10.591 6.471 1.00 0.00 C ATOM 1187 CD GLU A 74 -4.981 10.139 7.918 1.00 0.00 C ATOM 1188 OE1 GLU A 74 -4.189 10.794 8.635 1.00 0.00 O ATOM 1189 OE2 GLU A 74 -5.643 9.170 8.373 1.00 0.00 O ATOM 0 H GLU A 74 -5.159 11.391 3.681 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.951 11.742 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.706 9.344 4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.487 9.366 6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.151 11.679 6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.206 10.306 6.157 1.00 0.00 H new ATOM 1196 N PHE A 75 -2.376 9.839 2.727 1.00 0.00 N ATOM 1197 CA PHE A 75 -1.299 9.286 1.911 1.00 0.00 C ATOM 1198 C PHE A 75 -0.292 10.367 1.548 1.00 0.00 C ATOM 1199 O PHE A 75 0.903 10.116 1.703 1.00 0.00 O ATOM 1200 CB PHE A 75 -1.877 8.585 0.678 1.00 0.00 C ATOM 1201 CG PHE A 75 -0.972 8.350 -0.527 1.00 0.00 C ATOM 1202 CD1 PHE A 75 0.330 7.830 -0.382 1.00 0.00 C ATOM 1203 CD2 PHE A 75 -1.485 8.568 -1.823 1.00 0.00 C ATOM 1204 CE1 PHE A 75 1.071 7.442 -1.512 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -0.736 8.204 -2.955 1.00 0.00 C ATOM 1206 CZ PHE A 75 0.530 7.615 -2.796 1.00 0.00 C ATOM 0 H PHE A 75 -3.286 9.828 2.267 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.760 8.534 2.488 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.258 7.615 0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.733 9.168 0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.761 7.729 0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.459 9.017 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.054 7.012 -1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.132 8.376 -3.945 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.088 7.295 -3.663 1.00 0.00 H new ATOM 1216 N ILE A 76 -0.749 11.543 1.106 1.00 0.00 N ATOM 1217 CA ILE A 76 0.144 12.635 0.728 1.00 0.00 C ATOM 1218 C ILE A 76 1.055 12.989 1.904 1.00 0.00 C ATOM 1219 O ILE A 76 2.254 13.113 1.690 1.00 0.00 O ATOM 1220 CB ILE A 76 -0.636 13.853 0.178 1.00 0.00 C ATOM 1221 CG1 ILE A 76 -1.570 13.504 -1.003 1.00 0.00 C ATOM 1222 CG2 ILE A 76 0.329 14.970 -0.255 1.00 0.00 C ATOM 1223 CD1 ILE A 76 -0.952 12.667 -2.134 1.00 0.00 C ATOM 0 H ILE A 76 -1.740 11.761 1.002 1.00 0.00 H new ATOM 0 HA ILE A 76 0.779 12.304 -0.094 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.264 14.195 1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.432 12.965 -0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.944 14.434 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.242 15.816 -0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.922 15.291 0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.992 14.596 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.702 12.486 -2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.110 13.206 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.606 11.714 -1.734 1.00 0.00 H new ATOM 1235 N ASP A 77 0.541 13.048 3.141 1.00 0.00 N ATOM 1236 CA ASP A 77 1.349 13.333 4.339 1.00 0.00 C ATOM 1237 C ASP A 77 2.499 12.345 4.515 1.00 0.00 C ATOM 1238 O ASP A 77 3.581 12.684 5.000 1.00 0.00 O ATOM 1239 CB ASP A 77 0.470 13.274 5.585 1.00 0.00 C ATOM 1240 CG ASP A 77 1.262 13.416 6.884 1.00 0.00 C ATOM 1241 OD1 ASP A 77 1.677 14.551 7.201 1.00 0.00 O ATOM 1242 OD2 ASP A 77 1.342 12.434 7.665 1.00 0.00 O ATOM 0 H ASP A 77 -0.448 12.899 3.341 1.00 0.00 H new ATOM 0 HA ASP A 77 1.770 14.330 4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.277 14.066 5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.070 12.327 5.597 1.00 0.00 H new ATOM 1247 N LEU A 78 2.266 11.098 4.113 1.00 0.00 N ATOM 1248 CA LEU A 78 3.232 10.027 4.247 1.00 0.00 C ATOM 1249 C LEU A 78 4.254 10.051 3.096 1.00 0.00 C ATOM 1250 O LEU A 78 5.162 9.221 3.097 1.00 0.00 O ATOM 1251 CB LEU A 78 2.495 8.677 4.365 1.00 0.00 C ATOM 1252 CG LEU A 78 1.579 8.590 5.609 1.00 0.00 C ATOM 1253 CD1 LEU A 78 0.550 7.463 5.450 1.00 0.00 C ATOM 1254 CD2 LEU A 78 2.379 8.382 6.899 1.00 0.00 C ATOM 0 H LEU A 78 1.389 10.806 3.681 1.00 0.00 H new ATOM 0 HA LEU A 78 3.808 10.171 5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.896 8.518 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.229 7.872 4.405 1.00 0.00 H new ATOM 0 HG LEU A 78 1.059 9.545 5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.083 7.421 6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.067 7.655 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.068 6.512 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.695 8.327 7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.946 7.454 6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.065 9.217 7.040 1.00 0.00 H new ATOM 1266 N LEU A 79 4.124 10.979 2.137 1.00 0.00 N ATOM 1267 CA LEU A 79 5.122 11.352 1.139 1.00 0.00 C ATOM 1268 C LEU A 79 5.938 12.505 1.749 1.00 0.00 C ATOM 1269 O LEU A 79 6.915 12.244 2.448 1.00 0.00 O ATOM 1270 CB LEU A 79 4.464 11.715 -0.211 1.00 0.00 C ATOM 1271 CG LEU A 79 3.555 10.623 -0.806 1.00 0.00 C ATOM 1272 CD1 LEU A 79 3.064 11.063 -2.190 1.00 0.00 C ATOM 1273 CD2 LEU A 79 4.290 9.281 -0.919 1.00 0.00 C ATOM 0 H LEU A 79 3.265 11.519 2.036 1.00 0.00 H new ATOM 0 HA LEU A 79 5.784 10.519 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.877 12.624 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.250 11.945 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 79 2.706 10.486 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.421 10.290 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.502 11.992 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.920 11.220 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.619 8.533 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.160 9.396 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.614 8.959 0.071 1.00 0.00 H new ATOM 1285 N GLU A 80 5.515 13.758 1.548 1.00 0.00 N ATOM 1286 CA GLU A 80 6.093 15.039 1.990 1.00 0.00 C ATOM 1287 C GLU A 80 7.611 15.013 2.181 1.00 0.00 C ATOM 1288 O GLU A 80 8.142 15.083 3.297 1.00 0.00 O ATOM 1289 CB GLU A 80 5.366 15.610 3.220 1.00 0.00 C ATOM 1290 CG GLU A 80 3.844 15.650 3.078 1.00 0.00 C ATOM 1291 CD GLU A 80 3.312 16.445 1.876 1.00 0.00 C ATOM 1292 OE1 GLU A 80 3.578 16.085 0.707 1.00 0.00 O ATOM 1293 OE2 GLU A 80 2.584 17.441 2.107 1.00 0.00 O ATOM 0 H GLU A 80 4.663 13.921 1.011 1.00 0.00 H new ATOM 0 HA GLU A 80 5.924 15.725 1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.624 15.010 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.730 16.620 3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.476 14.626 3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.423 16.076 3.988 1.00 0.00 H new ATOM 1300 N GLY A 81 8.325 14.968 1.058 1.00 0.00 N ATOM 1301 CA GLY A 81 9.776 14.930 1.037 1.00 0.00 C ATOM 1302 C GLY A 81 10.315 13.566 0.635 1.00 0.00 C ATOM 1303 O GLY A 81 11.527 13.360 0.692 1.00 0.00 O ATOM 0 H GLY A 81 7.903 14.957 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.146 15.683 0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.158 15.192 2.024 1.00 0.00 H new ATOM 1307 N GLU A 82 9.463 12.643 0.196 1.00 0.00 N ATOM 1308 CA GLU A 82 9.829 11.292 -0.175 1.00 0.00 C ATOM 1309 C GLU A 82 9.162 10.976 -1.503 1.00 0.00 C ATOM 1310 O GLU A 82 7.945 11.155 -1.617 1.00 0.00 O ATOM 1311 CB GLU A 82 9.323 10.311 0.892 1.00 0.00 C ATOM 1312 CG GLU A 82 10.129 10.307 2.195 1.00 0.00 C ATOM 1313 CD GLU A 82 11.524 9.703 2.030 1.00 0.00 C ATOM 1314 OE1 GLU A 82 11.914 9.290 0.915 1.00 0.00 O ATOM 1315 OE2 GLU A 82 12.257 9.658 3.042 1.00 0.00 O ATOM 0 H GLU A 82 8.466 12.828 0.088 1.00 0.00 H new ATOM 0 HA GLU A 82 10.912 11.201 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.285 10.552 1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.331 9.305 0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.222 11.329 2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.583 9.745 2.953 1.00 0.00 H new ATOM 1322 N GLU A 83 9.923 10.452 -2.472 1.00 0.00 N ATOM 1323 CA GLU A 83 9.366 9.911 -3.709 1.00 0.00 C ATOM 1324 C GLU A 83 9.988 8.576 -4.125 1.00 0.00 C ATOM 1325 O GLU A 83 10.567 8.444 -5.203 1.00 0.00 O ATOM 1326 CB GLU A 83 9.348 10.987 -4.822 1.00 0.00 C ATOM 1327 CG GLU A 83 7.974 11.650 -4.918 1.00 0.00 C ATOM 1328 CD GLU A 83 7.922 12.806 -5.920 1.00 0.00 C ATOM 1329 OE1 GLU A 83 8.502 13.886 -5.649 1.00 0.00 O ATOM 1330 OE2 GLU A 83 7.209 12.700 -6.941 1.00 0.00 O ATOM 0 H GLU A 83 10.940 10.393 -2.417 1.00 0.00 H new ATOM 0 HA GLU A 83 8.325 9.652 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.107 11.742 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.604 10.531 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.236 10.900 -5.203 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.688 12.020 -3.933 1.00 0.00 H new ATOM 1337 N LYS A 84 9.846 7.546 -3.281 1.00 0.00 N ATOM 1338 CA LYS A 84 10.317 6.190 -3.590 1.00 0.00 C ATOM 1339 C LYS A 84 9.322 5.120 -3.155 1.00 0.00 C ATOM 1340 O LYS A 84 9.740 4.019 -2.816 1.00 0.00 O ATOM 1341 CB LYS A 84 11.651 5.981 -2.843 1.00 0.00 C ATOM 1342 CG LYS A 84 12.826 6.732 -3.469 1.00 0.00 C ATOM 1343 CD LYS A 84 13.556 7.607 -2.452 1.00 0.00 C ATOM 1344 CE LYS A 84 12.746 8.877 -2.183 1.00 0.00 C ATOM 1345 NZ LYS A 84 13.478 9.757 -1.252 1.00 0.00 N ATOM 0 H LYS A 84 9.402 7.629 -2.366 1.00 0.00 H new ATOM 0 HA LYS A 84 10.437 6.095 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.533 6.304 -1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.882 4.916 -2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.526 6.015 -3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.464 7.354 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.703 7.055 -1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.545 7.869 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.557 9.402 -3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.775 8.616 -1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.330 10.750 -1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.127 9.607 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.493 9.535 -1.290 1.00 0.00 H new ATOM 1359 N PHE A 85 8.020 5.365 -3.275 1.00 0.00 N ATOM 1360 CA PHE A 85 6.984 4.401 -2.864 1.00 0.00 C ATOM 1361 C PHE A 85 5.569 4.911 -3.139 1.00 0.00 C ATOM 1362 O PHE A 85 4.678 4.861 -2.294 1.00 0.00 O ATOM 1363 CB PHE A 85 7.140 3.990 -1.383 1.00 0.00 C ATOM 1364 CG PHE A 85 7.189 5.133 -0.367 1.00 0.00 C ATOM 1365 CD1 PHE A 85 8.400 5.789 -0.066 1.00 0.00 C ATOM 1366 CD2 PHE A 85 6.026 5.511 0.328 1.00 0.00 C ATOM 1367 CE1 PHE A 85 8.446 6.794 0.915 1.00 0.00 C ATOM 1368 CE2 PHE A 85 6.051 6.584 1.237 1.00 0.00 C ATOM 1369 CZ PHE A 85 7.262 7.232 1.530 1.00 0.00 C ATOM 0 H PHE A 85 7.646 6.233 -3.658 1.00 0.00 H new ATOM 0 HA PHE A 85 7.133 3.513 -3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.311 3.333 -1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.054 3.404 -1.284 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.301 5.516 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.105 4.972 0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.393 7.230 1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.137 6.910 1.711 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.283 8.060 2.223 1.00 0.00 H new ATOM 1379 N ILE A 86 5.367 5.441 -4.337 1.00 0.00 N ATOM 1380 CA ILE A 86 4.115 6.084 -4.719 1.00 0.00 C ATOM 1381 C ILE A 86 3.303 5.081 -5.544 1.00 0.00 C ATOM 1382 O ILE A 86 3.754 3.950 -5.769 1.00 0.00 O ATOM 1383 CB ILE A 86 4.401 7.399 -5.479 1.00 0.00 C ATOM 1384 CG1 ILE A 86 5.801 8.009 -5.256 1.00 0.00 C ATOM 1385 CG2 ILE A 86 3.356 8.457 -5.108 1.00 0.00 C ATOM 1386 CD1 ILE A 86 6.173 8.343 -3.806 1.00 0.00 C ATOM 0 H ILE A 86 6.070 5.438 -5.076 1.00 0.00 H new ATOM 0 HA ILE A 86 3.530 6.363 -3.843 1.00 0.00 H new ATOM 0 HB ILE A 86 4.353 7.118 -6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.544 7.314 -5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.875 8.922 -5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.565 9.380 -5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.363 8.097 -5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.396 8.647 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.178 8.765 -3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.463 9.067 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.143 7.435 -3.204 1.00 0.00 H new ATOM 1398 N GLY A 87 2.167 5.492 -6.115 1.00 0.00 N ATOM 1399 CA GLY A 87 1.715 4.812 -7.308 1.00 0.00 C ATOM 1400 C GLY A 87 0.379 5.246 -7.827 1.00 0.00 C ATOM 1401 O GLY A 87 -0.033 6.394 -7.550 1.00 0.00 O ATOM 0 H GLY A 87 1.576 6.255 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.456 4.960 -8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.676 3.742 -7.103 1.00 0.00 H new TER 1405 GLY A 87