USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 580 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 28 HIS : no HD1:sc= -0.19! C(o=0.56!,f=-8.7!) USER MOD Set 1.2: A 30 SER OG : rot -77:sc= 0.746 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.795 (180deg=-1.22!) USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0348) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.012 USER MOD Single : A 8 TYR OH : rot 174:sc= 0.867 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -165:sc=-0.00721 (180deg=-0.211) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00554 K(o=-0.0055,f=-1.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 25 TYR OH : rot 76:sc= 0.26 USER MOD Single : A 35 LYS NZ :NH3+ -152:sc= -0.141 (180deg=-0.921) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -165:sc=-0.00691 (180deg=-0.226) USER MOD Single : A 43 LYS NZ :NH3+ -125:sc= 0.494 (180deg=-1.87!) USER MOD Single : A 45 SER OG : rot 160:sc= 0.414 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -3.07 K(o=-3.1,f=-8.2!) USER MOD Single : A 52 THR OG1 : rot -98:sc= 0.716 USER MOD Single : A 54 THR OG1 : rot -66:sc= 0.474 USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0324) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.573 F(o=-1.2,f=-0.57) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 71 HIS : no HD1:sc=-0.00888 X(o=-0.0089,f=-0.0089) USER MOD Single : A 72 HIS : no HD1:sc= -0.383 K(o=-0.38,f=-2.2!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 74 HIS : no HD1:sc= -0.04 X(o=-0.04,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.309 3.610 -3.146 1.00 0.00 N ATOM 2 CA MET A 1 14.495 3.100 -1.761 1.00 0.00 C ATOM 3 C MET A 1 13.179 2.507 -1.260 1.00 0.00 C ATOM 4 O MET A 1 12.940 1.319 -1.359 1.00 0.00 O ATOM 5 CB MET A 1 14.903 4.256 -0.842 1.00 0.00 C ATOM 6 CG MET A 1 16.306 4.743 -1.213 1.00 0.00 C ATOM 7 SD MET A 1 16.225 5.716 -2.737 1.00 0.00 S ATOM 8 CE MET A 1 15.868 7.318 -1.973 1.00 0.00 C ATOM 0 H1 MET A 1 14.948 4.414 -3.309 1.00 0.00 H new ATOM 0 H2 MET A 1 14.524 2.853 -3.826 1.00 0.00 H new ATOM 0 H3 MET A 1 13.324 3.920 -3.273 1.00 0.00 H new ATOM 0 HA MET A 1 15.272 2.335 -1.757 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.188 5.074 -0.932 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.884 3.930 0.198 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.718 5.347 -0.405 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.974 3.892 -1.347 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.776 8.079 -2.748 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.934 7.255 -1.415 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.678 7.587 -1.295 1.00 0.00 H new ATOM 20 N LYS A 2 12.329 3.333 -0.720 1.00 0.00 N ATOM 21 CA LYS A 2 11.018 2.853 -0.193 1.00 0.00 C ATOM 22 C LYS A 2 10.104 2.471 -1.354 1.00 0.00 C ATOM 23 O LYS A 2 9.972 1.312 -1.697 1.00 0.00 O ATOM 24 CB LYS A 2 10.364 3.984 0.610 1.00 0.00 C ATOM 25 CG LYS A 2 11.311 4.453 1.719 1.00 0.00 C ATOM 26 CD LYS A 2 11.483 3.343 2.766 1.00 0.00 C ATOM 27 CE LYS A 2 12.032 3.934 4.066 1.00 0.00 C ATOM 28 NZ LYS A 2 13.418 4.435 3.842 1.00 0.00 N ATOM 0 H LYS A 2 12.488 4.336 -0.619 1.00 0.00 H new ATOM 0 HA LYS A 2 11.176 1.982 0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.122 4.817 -0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.426 3.638 1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.279 4.717 1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.914 5.352 2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.526 2.856 2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.161 2.578 2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.391 4.747 4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.030 3.177 4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.833 4.727 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.997 3.679 3.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.393 5.249 3.195 1.00 0.00 H new ATOM 42 N GLY A 3 9.471 3.438 -1.960 1.00 0.00 N ATOM 43 CA GLY A 3 8.560 3.148 -3.103 1.00 0.00 C ATOM 44 C GLY A 3 7.407 4.148 -3.110 1.00 0.00 C ATOM 45 O GLY A 3 7.274 4.975 -2.227 1.00 0.00 O ATOM 0 H GLY A 3 9.547 4.424 -1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.110 3.206 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.172 2.132 -3.023 1.00 0.00 H new ATOM 49 N LYS A 4 6.574 4.072 -4.108 1.00 0.00 N ATOM 50 CA LYS A 4 5.412 5.004 -4.213 1.00 0.00 C ATOM 51 C LYS A 4 4.159 4.228 -4.599 1.00 0.00 C ATOM 52 O LYS A 4 4.204 3.268 -5.346 1.00 0.00 O ATOM 53 CB LYS A 4 5.698 6.057 -5.281 1.00 0.00 C ATOM 54 CG LYS A 4 6.852 6.951 -4.822 1.00 0.00 C ATOM 55 CD LYS A 4 7.133 8.010 -5.892 1.00 0.00 C ATOM 56 CE LYS A 4 8.278 8.916 -5.435 1.00 0.00 C ATOM 57 NZ LYS A 4 8.573 9.921 -6.497 1.00 0.00 N ATOM 0 H LYS A 4 6.648 3.395 -4.867 1.00 0.00 H new ATOM 0 HA LYS A 4 5.256 5.489 -3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.952 5.574 -6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.807 6.659 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.600 7.432 -3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.744 6.350 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.392 7.528 -6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.237 8.604 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.008 9.420 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.166 8.320 -5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.351 10.537 -6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.848 9.431 -7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.726 10.497 -6.675 1.00 0.00 H new ATOM 71 N VAL A 5 3.038 4.652 -4.092 1.00 0.00 N ATOM 72 CA VAL A 5 1.748 3.976 -4.407 1.00 0.00 C ATOM 73 C VAL A 5 1.155 4.599 -5.668 1.00 0.00 C ATOM 74 O VAL A 5 0.762 5.749 -5.686 1.00 0.00 O ATOM 75 CB VAL A 5 0.793 4.157 -3.222 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.533 5.654 -2.978 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.530 3.445 -3.516 1.00 0.00 C ATOM 0 H VAL A 5 2.958 5.451 -3.463 1.00 0.00 H new ATOM 0 HA VAL A 5 1.906 2.911 -4.579 1.00 0.00 H new ATOM 0 HB VAL A 5 1.247 3.726 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.147 5.772 -2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.475 6.156 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.086 6.096 -3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.208 3.574 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.981 3.870 -4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.344 2.382 -3.672 1.00 0.00 H new ATOM 87 N VAL A 6 1.103 3.845 -6.728 1.00 0.00 N ATOM 88 CA VAL A 6 0.549 4.368 -8.009 1.00 0.00 C ATOM 89 C VAL A 6 -0.962 4.543 -7.884 1.00 0.00 C ATOM 90 O VAL A 6 -1.522 5.517 -8.351 1.00 0.00 O ATOM 91 CB VAL A 6 0.869 3.386 -9.142 1.00 0.00 C ATOM 92 CG1 VAL A 6 0.307 2.001 -8.813 1.00 0.00 C ATOM 93 CG2 VAL A 6 0.243 3.892 -10.441 1.00 0.00 C ATOM 0 H VAL A 6 1.424 2.877 -6.763 1.00 0.00 H new ATOM 0 HA VAL A 6 1.001 5.335 -8.232 1.00 0.00 H new ATOM 0 HB VAL A 6 1.951 3.313 -9.256 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.540 1.312 -9.624 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.754 1.637 -7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.774 2.066 -8.692 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.469 3.196 -11.249 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.837 3.968 -10.319 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.651 4.873 -10.683 1.00 0.00 H new ATOM 103 N SER A 7 -1.630 3.605 -7.267 1.00 0.00 N ATOM 104 CA SER A 7 -3.108 3.722 -7.122 1.00 0.00 C ATOM 105 C SER A 7 -3.609 2.823 -5.996 1.00 0.00 C ATOM 106 O SER A 7 -2.954 1.885 -5.582 1.00 0.00 O ATOM 107 CB SER A 7 -3.780 3.311 -8.434 1.00 0.00 C ATOM 108 OG SER A 7 -3.302 2.033 -8.839 1.00 0.00 O ATOM 0 H SER A 7 -1.217 2.766 -6.859 1.00 0.00 H new ATOM 0 HA SER A 7 -3.356 4.756 -6.883 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.862 3.281 -8.306 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.571 4.050 -9.208 1.00 0.00 H new ATOM 0 HG SER A 7 -3.736 1.772 -9.678 1.00 0.00 H new ATOM 114 N TYR A 8 -4.783 3.108 -5.507 1.00 0.00 N ATOM 115 CA TYR A 8 -5.378 2.292 -4.413 1.00 0.00 C ATOM 116 C TYR A 8 -6.896 2.447 -4.426 1.00 0.00 C ATOM 117 O TYR A 8 -7.435 3.491 -4.106 1.00 0.00 O ATOM 118 CB TYR A 8 -4.825 2.747 -3.060 1.00 0.00 C ATOM 119 CG TYR A 8 -5.595 2.066 -1.950 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.564 0.670 -1.836 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.342 2.825 -1.040 1.00 0.00 C ATOM 122 CE1 TYR A 8 -6.276 0.036 -0.812 1.00 0.00 C ATOM 123 CE2 TYR A 8 -7.053 2.190 -0.017 1.00 0.00 C ATOM 124 CZ TYR A 8 -7.020 0.796 0.099 1.00 0.00 C ATOM 125 OH TYR A 8 -7.719 0.169 1.109 1.00 0.00 O ATOM 0 H TYR A 8 -5.364 3.884 -5.824 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.119 1.245 -4.568 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.765 2.502 -2.986 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.909 3.830 -2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.991 0.083 -2.538 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.369 3.901 -1.129 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.252 -1.040 -0.724 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.628 2.776 0.684 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.102 0.843 1.709 1.00 0.00 H new ATOM 135 N LEU A 9 -7.586 1.396 -4.776 1.00 0.00 N ATOM 136 CA LEU A 9 -9.081 1.424 -4.804 1.00 0.00 C ATOM 137 C LEU A 9 -9.605 0.615 -3.619 1.00 0.00 C ATOM 138 O LEU A 9 -9.625 -0.600 -3.629 1.00 0.00 O ATOM 139 CB LEU A 9 -9.580 0.818 -6.126 1.00 0.00 C ATOM 140 CG LEU A 9 -9.554 1.890 -7.224 1.00 0.00 C ATOM 141 CD1 LEU A 9 -8.119 2.401 -7.431 1.00 0.00 C ATOM 142 CD2 LEU A 9 -10.082 1.293 -8.531 1.00 0.00 C ATOM 0 H LEU A 9 -7.173 0.504 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.442 2.450 -4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.951 -0.025 -6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.592 0.433 -6.003 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.186 2.725 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.113 3.161 -8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.749 2.833 -6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.476 1.572 -7.727 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.064 2.053 -9.312 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.453 0.453 -8.828 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.105 0.946 -8.386 1.00 0.00 H new ATOM 154 N ALA A 10 -10.032 1.302 -2.599 1.00 0.00 N ATOM 155 CA ALA A 10 -10.571 0.631 -1.382 1.00 0.00 C ATOM 156 C ALA A 10 -11.884 -0.073 -1.728 1.00 0.00 C ATOM 157 O ALA A 10 -12.296 -1.001 -1.060 1.00 0.00 O ATOM 158 CB ALA A 10 -10.831 1.687 -0.301 1.00 0.00 C ATOM 0 H ALA A 10 -10.031 2.321 -2.555 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.851 -0.102 -1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.226 1.203 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.898 2.195 -0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.554 2.414 -0.669 1.00 0.00 H new ATOM 164 N ALA A 11 -12.546 0.379 -2.758 1.00 0.00 N ATOM 165 CA ALA A 11 -13.846 -0.235 -3.158 1.00 0.00 C ATOM 166 C ALA A 11 -13.643 -1.709 -3.508 1.00 0.00 C ATOM 167 O ALA A 11 -14.436 -2.555 -3.144 1.00 0.00 O ATOM 168 CB ALA A 11 -14.390 0.505 -4.386 1.00 0.00 C ATOM 0 H ALA A 11 -12.240 1.155 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.551 -0.159 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.340 0.063 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.540 1.556 -4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.677 0.422 -5.206 1.00 0.00 H new ATOM 174 N LYS A 12 -12.587 -2.023 -4.213 1.00 0.00 N ATOM 175 CA LYS A 12 -12.321 -3.446 -4.598 1.00 0.00 C ATOM 176 C LYS A 12 -11.328 -4.064 -3.607 1.00 0.00 C ATOM 177 O LYS A 12 -10.903 -5.192 -3.765 1.00 0.00 O ATOM 178 CB LYS A 12 -11.733 -3.496 -6.012 1.00 0.00 C ATOM 179 CG LYS A 12 -12.744 -2.927 -7.013 1.00 0.00 C ATOM 180 CD LYS A 12 -12.252 -3.177 -8.445 1.00 0.00 C ATOM 181 CE LYS A 12 -11.025 -2.306 -8.740 1.00 0.00 C ATOM 182 NZ LYS A 12 -10.782 -2.267 -10.209 1.00 0.00 N ATOM 0 H LYS A 12 -11.892 -1.352 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.255 -4.008 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.806 -2.923 -6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.484 -4.524 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.718 -3.394 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.875 -1.858 -6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.000 -4.230 -8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.047 -2.951 -9.156 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.183 -1.297 -8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.150 -2.706 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.950 -1.676 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.613 -3.232 -10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.614 -1.866 -10.688 1.00 0.00 H new ATOM 196 N LYS A 13 -10.964 -3.319 -2.591 1.00 0.00 N ATOM 197 CA LYS A 13 -10.003 -3.817 -1.555 1.00 0.00 C ATOM 198 C LYS A 13 -8.675 -4.193 -2.208 1.00 0.00 C ATOM 199 O LYS A 13 -7.761 -4.661 -1.557 1.00 0.00 O ATOM 200 CB LYS A 13 -10.596 -5.033 -0.827 1.00 0.00 C ATOM 201 CG LYS A 13 -11.812 -4.596 -0.003 1.00 0.00 C ATOM 202 CD LYS A 13 -12.394 -5.809 0.728 1.00 0.00 C ATOM 203 CE LYS A 13 -13.641 -5.390 1.508 1.00 0.00 C ATOM 204 NZ LYS A 13 -13.244 -4.504 2.638 1.00 0.00 N ATOM 0 H LYS A 13 -11.299 -2.369 -2.433 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.826 -3.023 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.888 -5.795 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.845 -5.482 -0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.522 -3.829 0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.566 -4.154 -0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.647 -6.591 0.012 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.651 -6.227 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.337 -4.869 0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.159 -6.271 1.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.033 -4.424 3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.417 -4.908 3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.004 -3.561 2.272 1.00 0.00 H new ATOM 218 N TYR A 14 -8.561 -3.977 -3.493 1.00 0.00 N ATOM 219 CA TYR A 14 -7.296 -4.304 -4.226 1.00 0.00 C ATOM 220 C TYR A 14 -6.707 -3.034 -4.839 1.00 0.00 C ATOM 221 O TYR A 14 -7.411 -2.092 -5.149 1.00 0.00 O ATOM 222 CB TYR A 14 -7.599 -5.308 -5.341 1.00 0.00 C ATOM 223 CG TYR A 14 -8.015 -6.629 -4.729 1.00 0.00 C ATOM 224 CD1 TYR A 14 -7.097 -7.361 -3.964 1.00 0.00 C ATOM 225 CD2 TYR A 14 -9.312 -7.123 -4.925 1.00 0.00 C ATOM 226 CE1 TYR A 14 -7.476 -8.582 -3.396 1.00 0.00 C ATOM 227 CE2 TYR A 14 -9.689 -8.346 -4.358 1.00 0.00 C ATOM 228 CZ TYR A 14 -8.771 -9.075 -3.592 1.00 0.00 C ATOM 229 OH TYR A 14 -9.144 -10.279 -3.031 1.00 0.00 O ATOM 0 H TYR A 14 -9.300 -3.583 -4.075 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.579 -4.734 -3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.393 -4.926 -5.983 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.719 -5.447 -5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.097 -6.983 -3.813 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.021 -6.560 -5.514 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.768 -9.145 -2.805 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.688 -8.727 -4.511 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.076 -10.474 -3.264 1.00 0.00 H new ATOM 239 N GLY A 15 -5.413 -3.007 -5.010 1.00 0.00 N ATOM 240 CA GLY A 15 -4.753 -1.803 -5.596 1.00 0.00 C ATOM 241 C GLY A 15 -3.383 -2.169 -6.173 1.00 0.00 C ATOM 242 O GLY A 15 -3.037 -3.328 -6.313 1.00 0.00 O ATOM 0 H GLY A 15 -4.781 -3.770 -4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.383 -1.381 -6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.638 -1.035 -4.831 1.00 0.00 H new ATOM 246 N PHE A 16 -2.606 -1.172 -6.514 1.00 0.00 N ATOM 247 CA PHE A 16 -1.247 -1.414 -7.095 1.00 0.00 C ATOM 248 C PHE A 16 -0.229 -0.448 -6.484 1.00 0.00 C ATOM 249 O PHE A 16 -0.548 0.668 -6.111 1.00 0.00 O ATOM 250 CB PHE A 16 -1.297 -1.203 -8.611 1.00 0.00 C ATOM 251 CG PHE A 16 -2.183 -2.254 -9.238 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.684 -3.544 -9.457 1.00 0.00 C ATOM 253 CD2 PHE A 16 -3.500 -1.943 -9.600 1.00 0.00 C ATOM 254 CE1 PHE A 16 -2.501 -4.522 -10.036 1.00 0.00 C ATOM 255 CE2 PHE A 16 -4.317 -2.922 -10.179 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.817 -4.211 -10.398 1.00 0.00 C ATOM 0 H PHE A 16 -2.857 -0.189 -6.414 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.945 -2.437 -6.872 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.679 -0.208 -8.838 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.293 -1.262 -9.030 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.668 -3.784 -9.179 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.885 -0.948 -9.433 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.116 -5.517 -10.204 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.333 -2.682 -10.457 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.446 -4.965 -10.846 1.00 0.00 H new ATOM 266 N ILE A 17 1.000 -0.886 -6.393 1.00 0.00 N ATOM 267 CA ILE A 17 2.095 -0.042 -5.820 1.00 0.00 C ATOM 268 C ILE A 17 3.326 -0.122 -6.721 1.00 0.00 C ATOM 269 O ILE A 17 3.682 -1.173 -7.218 1.00 0.00 O ATOM 270 CB ILE A 17 2.451 -0.544 -4.418 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.249 -0.340 -3.491 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.650 0.234 -3.871 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.501 -1.049 -2.160 1.00 0.00 C ATOM 0 H ILE A 17 1.298 -1.813 -6.698 1.00 0.00 H new ATOM 0 HA ILE A 17 1.759 0.993 -5.757 1.00 0.00 H new ATOM 0 HB ILE A 17 2.706 -1.602 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.084 0.724 -3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.346 -0.733 -3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.896 -0.130 -2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.507 0.093 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.403 1.294 -3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.645 -0.903 -1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.645 -2.115 -2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.394 -0.636 -1.691 1.00 0.00 H new ATOM 285 N GLN A 18 3.976 0.990 -6.938 1.00 0.00 N ATOM 286 CA GLN A 18 5.189 1.014 -7.813 1.00 0.00 C ATOM 287 C GLN A 18 6.449 0.996 -6.949 1.00 0.00 C ATOM 288 O GLN A 18 6.825 1.982 -6.345 1.00 0.00 O ATOM 289 CB GLN A 18 5.170 2.282 -8.673 1.00 0.00 C ATOM 290 CG GLN A 18 6.394 2.287 -9.592 1.00 0.00 C ATOM 291 CD GLN A 18 6.334 3.485 -10.541 1.00 0.00 C ATOM 292 OE1 GLN A 18 5.286 4.066 -10.746 1.00 0.00 O ATOM 293 NE2 GLN A 18 7.427 3.884 -11.135 1.00 0.00 N ATOM 0 H GLN A 18 3.717 1.894 -6.543 1.00 0.00 H new ATOM 0 HA GLN A 18 5.188 0.136 -8.460 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.256 2.320 -9.265 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.175 3.167 -8.037 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.306 2.331 -8.996 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.432 1.361 -10.165 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.307 3.398 -10.964 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.400 4.682 -11.770 1.00 0.00 H new ATOM 302 N GLY A 19 7.102 -0.129 -6.902 1.00 0.00 N ATOM 303 CA GLY A 19 8.348 -0.264 -6.094 1.00 0.00 C ATOM 304 C GLY A 19 9.466 0.569 -6.716 1.00 0.00 C ATOM 305 O GLY A 19 9.419 0.939 -7.873 1.00 0.00 O ATOM 0 H GLY A 19 6.822 -0.976 -7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.165 0.064 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.648 -1.311 -6.044 1.00 0.00 H new ATOM 309 N ASP A 20 10.474 0.867 -5.942 1.00 0.00 N ATOM 310 CA ASP A 20 11.618 1.678 -6.448 1.00 0.00 C ATOM 311 C ASP A 20 12.379 0.888 -7.513 1.00 0.00 C ATOM 312 O ASP A 20 12.920 1.450 -8.447 1.00 0.00 O ATOM 313 CB ASP A 20 12.566 2.009 -5.286 1.00 0.00 C ATOM 314 CG ASP A 20 13.027 0.720 -4.592 1.00 0.00 C ATOM 315 OD1 ASP A 20 12.549 -0.340 -4.960 1.00 0.00 O ATOM 316 OD2 ASP A 20 13.857 0.820 -3.703 1.00 0.00 O ATOM 0 H ASP A 20 10.554 0.579 -4.967 1.00 0.00 H new ATOM 0 HA ASP A 20 11.238 2.602 -6.885 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.430 2.559 -5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.061 2.656 -4.569 1.00 0.00 H new ATOM 321 N ASP A 21 12.433 -0.407 -7.366 1.00 0.00 N ATOM 322 CA ASP A 21 13.168 -1.260 -8.347 1.00 0.00 C ATOM 323 C ASP A 21 12.229 -1.649 -9.489 1.00 0.00 C ATOM 324 O ASP A 21 12.574 -2.435 -10.349 1.00 0.00 O ATOM 325 CB ASP A 21 13.669 -2.519 -7.632 1.00 0.00 C ATOM 326 CG ASP A 21 14.681 -2.127 -6.554 1.00 0.00 C ATOM 327 OD1 ASP A 21 15.227 -1.039 -6.648 1.00 0.00 O ATOM 328 OD2 ASP A 21 14.895 -2.921 -5.653 1.00 0.00 O ATOM 0 H ASP A 21 11.995 -0.918 -6.600 1.00 0.00 H new ATOM 0 HA ASP A 21 14.016 -0.711 -8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.831 -3.052 -7.182 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.131 -3.198 -8.349 1.00 0.00 H new ATOM 333 N GLY A 22 11.045 -1.098 -9.501 1.00 0.00 N ATOM 334 CA GLY A 22 10.066 -1.412 -10.586 1.00 0.00 C ATOM 335 C GLY A 22 9.303 -2.686 -10.234 1.00 0.00 C ATOM 336 O GLY A 22 8.682 -3.303 -11.077 1.00 0.00 O ATOM 0 H GLY A 22 10.710 -0.438 -8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.370 -0.583 -10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.587 -1.539 -11.535 1.00 0.00 H new ATOM 340 N GLU A 23 9.344 -3.082 -8.990 1.00 0.00 N ATOM 341 CA GLU A 23 8.628 -4.324 -8.561 1.00 0.00 C ATOM 342 C GLU A 23 7.239 -3.963 -8.042 1.00 0.00 C ATOM 343 O GLU A 23 7.084 -3.236 -7.080 1.00 0.00 O ATOM 344 CB GLU A 23 9.435 -5.016 -7.458 1.00 0.00 C ATOM 345 CG GLU A 23 10.751 -5.535 -8.047 1.00 0.00 C ATOM 346 CD GLU A 23 11.605 -6.173 -6.946 1.00 0.00 C ATOM 347 OE1 GLU A 23 11.161 -6.192 -5.811 1.00 0.00 O ATOM 348 OE2 GLU A 23 12.691 -6.632 -7.259 1.00 0.00 O ATOM 0 H GLU A 23 9.845 -2.597 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 23 8.524 -4.999 -9.410 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.637 -4.318 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.862 -5.841 -7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.545 -6.267 -8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.298 -4.716 -8.513 1.00 0.00 H new ATOM 355 N SER A 24 6.226 -4.471 -8.688 1.00 0.00 N ATOM 356 CA SER A 24 4.829 -4.177 -8.269 1.00 0.00 C ATOM 357 C SER A 24 4.466 -5.005 -7.044 1.00 0.00 C ATOM 358 O SER A 24 4.998 -6.071 -6.812 1.00 0.00 O ATOM 359 CB SER A 24 3.870 -4.515 -9.417 1.00 0.00 C ATOM 360 OG SER A 24 4.134 -5.829 -9.892 1.00 0.00 O ATOM 0 H SER A 24 6.309 -5.085 -9.498 1.00 0.00 H new ATOM 0 HA SER A 24 4.746 -3.119 -8.021 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.838 -4.442 -9.074 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.989 -3.795 -10.227 1.00 0.00 H new ATOM 0 HG SER A 24 3.518 -6.042 -10.624 1.00 0.00 H new ATOM 366 N TYR A 25 3.551 -4.511 -6.256 1.00 0.00 N ATOM 367 CA TYR A 25 3.118 -5.241 -5.030 1.00 0.00 C ATOM 368 C TYR A 25 1.611 -5.083 -4.846 1.00 0.00 C ATOM 369 O TYR A 25 1.062 -4.006 -4.980 1.00 0.00 O ATOM 370 CB TYR A 25 3.849 -4.670 -3.816 1.00 0.00 C ATOM 371 CG TYR A 25 5.334 -4.914 -3.961 1.00 0.00 C ATOM 372 CD1 TYR A 25 5.875 -6.161 -3.627 1.00 0.00 C ATOM 373 CD2 TYR A 25 6.169 -3.892 -4.426 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.251 -6.384 -3.753 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.545 -4.115 -4.554 1.00 0.00 C ATOM 376 CZ TYR A 25 8.085 -5.361 -4.219 1.00 0.00 C ATOM 377 OH TYR A 25 9.441 -5.578 -4.340 1.00 0.00 O ATOM 0 H TYR A 25 3.079 -3.621 -6.412 1.00 0.00 H new ATOM 0 HA TYR A 25 3.357 -6.300 -5.132 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.652 -3.601 -3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.480 -5.138 -2.903 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.230 -6.951 -3.272 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.752 -2.931 -4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.669 -7.345 -3.491 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.189 -3.325 -4.911 1.00 0.00 H new ATOM 0 HH TYR A 25 9.616 -6.121 -5.137 1.00 0.00 H new ATOM 387 N PHE A 26 0.944 -6.158 -4.542 1.00 0.00 N ATOM 388 CA PHE A 26 -0.533 -6.111 -4.348 1.00 0.00 C ATOM 389 C PHE A 26 -0.862 -5.566 -2.966 1.00 0.00 C ATOM 390 O PHE A 26 -0.212 -5.874 -1.987 1.00 0.00 O ATOM 391 CB PHE A 26 -1.112 -7.520 -4.493 1.00 0.00 C ATOM 392 CG PHE A 26 -1.118 -7.909 -5.953 1.00 0.00 C ATOM 393 CD1 PHE A 26 -2.169 -7.495 -6.780 1.00 0.00 C ATOM 394 CD2 PHE A 26 -0.077 -8.682 -6.476 1.00 0.00 C ATOM 395 CE1 PHE A 26 -2.177 -7.853 -8.133 1.00 0.00 C ATOM 396 CE2 PHE A 26 -0.084 -9.041 -7.829 1.00 0.00 C ATOM 397 CZ PHE A 26 -1.135 -8.628 -8.657 1.00 0.00 C ATOM 0 H PHE A 26 1.363 -7.080 -4.418 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.970 -5.456 -5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.518 -8.231 -3.918 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.125 -7.553 -4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.973 -6.900 -6.374 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.732 -9.002 -5.836 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.986 -7.532 -8.772 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.721 -9.636 -8.234 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.142 -8.907 -9.700 1.00 0.00 H new ATOM 407 N LEU A 27 -1.884 -4.756 -2.890 1.00 0.00 N ATOM 408 CA LEU A 27 -2.297 -4.161 -1.585 1.00 0.00 C ATOM 409 C LEU A 27 -3.656 -4.729 -1.180 1.00 0.00 C ATOM 410 O LEU A 27 -4.662 -4.501 -1.823 1.00 0.00 O ATOM 411 CB LEU A 27 -2.396 -2.638 -1.744 1.00 0.00 C ATOM 412 CG LEU A 27 -2.359 -1.967 -0.366 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.317 -0.449 -0.544 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.601 -2.360 0.451 1.00 0.00 C ATOM 0 H LEU A 27 -2.457 -4.478 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.565 -4.401 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.573 -2.273 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.319 -2.377 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.469 -2.298 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.291 0.031 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.426 -0.173 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.205 -0.121 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.562 -1.877 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.500 -2.040 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.623 -3.442 0.582 1.00 0.00 H new ATOM 426 N HIS A 28 -3.682 -5.463 -0.101 1.00 0.00 N ATOM 427 CA HIS A 28 -4.960 -6.058 0.393 1.00 0.00 C ATOM 428 C HIS A 28 -5.016 -6.002 1.922 1.00 0.00 C ATOM 429 O HIS A 28 -4.034 -5.742 2.591 1.00 0.00 O ATOM 430 CB HIS A 28 -5.063 -7.507 -0.074 1.00 0.00 C ATOM 431 CG HIS A 28 -6.396 -8.063 0.335 1.00 0.00 C ATOM 432 ND1 HIS A 28 -6.534 -8.947 1.393 1.00 0.00 N ATOM 433 CD2 HIS A 28 -7.661 -7.870 -0.161 1.00 0.00 C ATOM 434 CE1 HIS A 28 -7.841 -9.253 1.498 1.00 0.00 C ATOM 435 NE2 HIS A 28 -8.572 -8.622 0.575 1.00 0.00 N ATOM 0 H HIS A 28 -2.863 -5.679 0.467 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.796 -5.486 -0.009 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.949 -7.562 -1.157 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.259 -8.100 0.361 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.911 -7.232 -0.995 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -8.248 -9.926 2.238 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.581 -8.679 0.439 1.00 0.00 H new ATOM 443 N PHE A 29 -6.173 -6.250 2.467 1.00 0.00 N ATOM 444 CA PHE A 29 -6.365 -6.223 3.950 1.00 0.00 C ATOM 445 C PHE A 29 -5.483 -7.282 4.615 1.00 0.00 C ATOM 446 O PHE A 29 -4.985 -7.088 5.707 1.00 0.00 O ATOM 447 CB PHE A 29 -7.846 -6.522 4.266 1.00 0.00 C ATOM 448 CG PHE A 29 -8.650 -5.243 4.217 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.880 -4.607 2.994 1.00 0.00 C ATOM 450 CD2 PHE A 29 -9.151 -4.686 5.402 1.00 0.00 C ATOM 451 CE1 PHE A 29 -9.620 -3.420 2.951 1.00 0.00 C ATOM 452 CE2 PHE A 29 -9.890 -3.501 5.360 1.00 0.00 C ATOM 453 CZ PHE A 29 -10.122 -2.865 4.134 1.00 0.00 C ATOM 0 H PHE A 29 -7.015 -6.476 1.937 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.088 -5.241 4.333 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.243 -7.239 3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.932 -6.978 5.252 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.487 -5.032 2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.966 -5.173 6.348 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.804 -2.932 2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.282 -3.076 6.272 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.688 -1.946 4.101 1.00 0.00 H new ATOM 463 N SER A 30 -5.306 -8.401 3.973 1.00 0.00 N ATOM 464 CA SER A 30 -4.474 -9.491 4.562 1.00 0.00 C ATOM 465 C SER A 30 -3.033 -9.012 4.728 1.00 0.00 C ATOM 466 O SER A 30 -2.272 -9.565 5.499 1.00 0.00 O ATOM 467 CB SER A 30 -4.511 -10.711 3.630 1.00 0.00 C ATOM 468 OG SER A 30 -4.019 -10.349 2.343 1.00 0.00 O ATOM 0 H SER A 30 -5.704 -8.611 3.058 1.00 0.00 H new ATOM 0 HA SER A 30 -4.870 -9.764 5.540 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.907 -11.517 4.047 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.531 -11.086 3.547 1.00 0.00 H new ATOM 0 HG SER A 30 -4.709 -9.850 1.857 1.00 0.00 H new ATOM 474 N GLU A 31 -2.648 -7.988 4.012 1.00 0.00 N ATOM 475 CA GLU A 31 -1.250 -7.469 4.119 1.00 0.00 C ATOM 476 C GLU A 31 -1.200 -6.337 5.146 1.00 0.00 C ATOM 477 O GLU A 31 -0.138 -5.904 5.547 1.00 0.00 O ATOM 478 CB GLU A 31 -0.820 -6.930 2.750 1.00 0.00 C ATOM 479 CG GLU A 31 -0.748 -8.083 1.743 1.00 0.00 C ATOM 480 CD GLU A 31 0.347 -9.070 2.158 1.00 0.00 C ATOM 481 OE1 GLU A 31 1.459 -8.627 2.395 1.00 0.00 O ATOM 482 OE2 GLU A 31 0.054 -10.251 2.234 1.00 0.00 O ATOM 0 H GLU A 31 -3.244 -7.486 3.354 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.581 -8.270 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.529 -6.177 2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.151 -6.442 2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.710 -8.594 1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.540 -7.694 0.746 1.00 0.00 H new ATOM 489 N LEU A 32 -2.338 -5.859 5.580 1.00 0.00 N ATOM 490 CA LEU A 32 -2.364 -4.755 6.593 1.00 0.00 C ATOM 491 C LEU A 32 -2.530 -5.346 7.988 1.00 0.00 C ATOM 492 O LEU A 32 -3.534 -5.952 8.310 1.00 0.00 O ATOM 493 CB LEU A 32 -3.527 -3.804 6.290 1.00 0.00 C ATOM 494 CG LEU A 32 -3.327 -3.160 4.910 1.00 0.00 C ATOM 495 CD1 LEU A 32 -4.562 -2.326 4.550 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.082 -2.252 4.928 1.00 0.00 C ATOM 0 H LEU A 32 -3.255 -6.186 5.276 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.427 -4.200 6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.470 -4.350 6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.586 -3.032 7.057 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.186 -3.945 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.420 -1.869 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.441 -2.970 4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.704 -1.545 5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.948 -1.799 3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.214 -1.468 5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.202 -2.845 5.177 1.00 0.00 H new ATOM 508 N LEU A 33 -1.542 -5.165 8.817 1.00 0.00 N ATOM 509 CA LEU A 33 -1.596 -5.693 10.209 1.00 0.00 C ATOM 510 C LEU A 33 -2.712 -4.999 10.973 1.00 0.00 C ATOM 511 O LEU A 33 -3.441 -5.620 11.721 1.00 0.00 O ATOM 512 CB LEU A 33 -0.256 -5.415 10.907 1.00 0.00 C ATOM 513 CG LEU A 33 0.784 -6.460 10.478 1.00 0.00 C ATOM 514 CD1 LEU A 33 0.434 -7.838 11.078 1.00 0.00 C ATOM 515 CD2 LEU A 33 0.816 -6.561 8.947 1.00 0.00 C ATOM 0 H LEU A 33 -0.684 -4.665 8.585 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.785 -6.766 10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.095 -4.415 10.654 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.387 -5.442 11.989 1.00 0.00 H new ATOM 0 HG LEU A 33 1.764 -6.151 10.843 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.179 -8.570 10.766 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.425 -7.770 12.166 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.550 -8.149 10.726 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.555 -7.304 8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.167 -6.859 8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.082 -5.592 8.524 1.00 0.00 H new ATOM 527 N ASP A 34 -2.836 -3.710 10.797 1.00 0.00 N ATOM 528 CA ASP A 34 -3.897 -2.937 11.513 1.00 0.00 C ATOM 529 C ASP A 34 -4.855 -2.321 10.497 1.00 0.00 C ATOM 530 O ASP A 34 -4.452 -1.753 9.501 1.00 0.00 O ATOM 531 CB ASP A 34 -3.255 -1.826 12.350 1.00 0.00 C ATOM 532 CG ASP A 34 -2.169 -2.413 13.256 1.00 0.00 C ATOM 533 OD1 ASP A 34 -2.469 -3.351 13.977 1.00 0.00 O ATOM 534 OD2 ASP A 34 -1.060 -1.907 13.222 1.00 0.00 O ATOM 0 H ASP A 34 -2.242 -3.153 10.182 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.448 -3.610 12.171 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.824 -1.069 11.695 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.015 -1.329 12.954 1.00 0.00 H new ATOM 539 N LYS A 35 -6.125 -2.433 10.755 1.00 0.00 N ATOM 540 CA LYS A 35 -7.152 -1.866 9.833 1.00 0.00 C ATOM 541 C LYS A 35 -7.231 -0.353 10.044 1.00 0.00 C ATOM 542 O LYS A 35 -7.836 0.362 9.270 1.00 0.00 O ATOM 543 CB LYS A 35 -8.516 -2.510 10.146 1.00 0.00 C ATOM 544 CG LYS A 35 -8.629 -3.865 9.439 1.00 0.00 C ATOM 545 CD LYS A 35 -7.438 -4.753 9.815 1.00 0.00 C ATOM 546 CE LYS A 35 -7.669 -6.167 9.284 1.00 0.00 C ATOM 547 NZ LYS A 35 -8.880 -6.749 9.929 1.00 0.00 N ATOM 0 H LYS A 35 -6.504 -2.901 11.578 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.883 -2.072 8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.627 -2.641 11.222 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.322 -1.852 9.820 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.561 -4.355 9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.658 -3.720 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.519 -4.342 9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.315 -4.775 10.898 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.796 -6.144 8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.799 -6.791 9.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.790 -7.784 9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.973 -6.375 10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.724 -6.494 9.377 1.00 0.00 H new ATOM 561 N LYS A 36 -6.631 0.129 11.096 1.00 0.00 N ATOM 562 CA LYS A 36 -6.660 1.591 11.392 1.00 0.00 C ATOM 563 C LYS A 36 -5.905 2.369 10.307 1.00 0.00 C ATOM 564 O LYS A 36 -6.330 3.425 9.881 1.00 0.00 O ATOM 565 CB LYS A 36 -5.982 1.832 12.749 1.00 0.00 C ATOM 566 CG LYS A 36 -4.464 1.644 12.618 1.00 0.00 C ATOM 567 CD LYS A 36 -3.838 1.530 14.009 1.00 0.00 C ATOM 568 CE LYS A 36 -4.009 2.853 14.759 1.00 0.00 C ATOM 569 NZ LYS A 36 -3.098 2.875 15.938 1.00 0.00 N ATOM 0 H LYS A 36 -6.115 -0.434 11.772 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.694 1.934 11.416 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.203 2.840 13.101 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.380 1.140 13.492 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.247 0.748 12.036 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.028 2.486 12.080 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.310 0.721 14.566 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.780 1.283 13.923 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.786 3.690 14.098 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.043 2.969 15.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.213 3.774 16.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.331 2.084 16.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.113 2.783 15.617 1.00 0.00 H new ATOM 583 N ASP A 37 -4.775 1.862 9.881 1.00 0.00 N ATOM 584 CA ASP A 37 -3.973 2.576 8.843 1.00 0.00 C ATOM 585 C ASP A 37 -4.591 2.339 7.464 1.00 0.00 C ATOM 586 O ASP A 37 -4.199 2.945 6.487 1.00 0.00 O ATOM 587 CB ASP A 37 -2.519 2.064 8.855 1.00 0.00 C ATOM 588 CG ASP A 37 -1.808 2.515 10.138 1.00 0.00 C ATOM 589 OD1 ASP A 37 -2.305 3.423 10.784 1.00 0.00 O ATOM 590 OD2 ASP A 37 -0.771 1.948 10.446 1.00 0.00 O ATOM 0 H ASP A 37 -4.374 0.983 10.208 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.975 3.644 9.063 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.508 0.976 8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.986 2.442 7.983 1.00 0.00 H new ATOM 595 N GLU A 38 -5.558 1.463 7.382 1.00 0.00 N ATOM 596 CA GLU A 38 -6.219 1.179 6.073 1.00 0.00 C ATOM 597 C GLU A 38 -7.020 2.407 5.640 1.00 0.00 C ATOM 598 O GLU A 38 -7.099 2.732 4.471 1.00 0.00 O ATOM 599 CB GLU A 38 -7.171 -0.015 6.236 1.00 0.00 C ATOM 600 CG GLU A 38 -7.692 -0.463 4.866 1.00 0.00 C ATOM 601 CD GLU A 38 -8.760 0.513 4.361 1.00 0.00 C ATOM 602 OE1 GLU A 38 -9.419 1.126 5.185 1.00 0.00 O ATOM 603 OE2 GLU A 38 -8.900 0.630 3.154 1.00 0.00 O ATOM 0 H GLU A 38 -5.921 0.928 8.171 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.465 0.947 5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.652 -0.840 6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.007 0.261 6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.868 -0.512 4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.111 -1.467 4.939 1.00 0.00 H new ATOM 610 N GLY A 39 -7.621 3.081 6.582 1.00 0.00 N ATOM 611 CA GLY A 39 -8.433 4.290 6.256 1.00 0.00 C ATOM 612 C GLY A 39 -7.525 5.515 6.165 1.00 0.00 C ATOM 613 O GLY A 39 -7.940 6.574 5.742 1.00 0.00 O ATOM 0 H GLY A 39 -7.584 2.844 7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.957 4.143 5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.193 4.446 7.021 1.00 0.00 H new ATOM 617 N LYS A 40 -6.285 5.383 6.561 1.00 0.00 N ATOM 618 CA LYS A 40 -5.341 6.542 6.504 1.00 0.00 C ATOM 619 C LYS A 40 -4.485 6.435 5.241 1.00 0.00 C ATOM 620 O LYS A 40 -3.648 7.275 4.975 1.00 0.00 O ATOM 621 CB LYS A 40 -4.435 6.520 7.741 1.00 0.00 C ATOM 622 CG LYS A 40 -5.294 6.701 8.996 1.00 0.00 C ATOM 623 CD LYS A 40 -4.404 6.681 10.241 1.00 0.00 C ATOM 624 CE LYS A 40 -5.278 6.751 11.495 1.00 0.00 C ATOM 625 NZ LYS A 40 -5.939 8.084 11.570 1.00 0.00 N ATOM 0 H LYS A 40 -5.883 4.518 6.923 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.905 7.475 6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.890 5.577 7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.692 7.315 7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.839 7.644 8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.038 5.906 9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.801 5.773 10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.712 7.523 10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.030 5.962 11.471 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.670 6.585 12.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.321 8.229 12.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.244 8.828 11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.714 8.127 10.878 1.00 0.00 H new ATOM 639 N LEU A 41 -4.688 5.403 4.465 1.00 0.00 N ATOM 640 CA LEU A 41 -3.886 5.220 3.220 1.00 0.00 C ATOM 641 C LEU A 41 -3.970 6.465 2.355 1.00 0.00 C ATOM 642 O LEU A 41 -4.977 7.143 2.310 1.00 0.00 O ATOM 643 CB LEU A 41 -4.420 4.019 2.431 1.00 0.00 C ATOM 644 CG LEU A 41 -4.260 2.741 3.264 1.00 0.00 C ATOM 645 CD1 LEU A 41 -4.902 1.561 2.528 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.765 2.448 3.497 1.00 0.00 C ATOM 0 H LEU A 41 -5.380 4.674 4.642 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.846 5.044 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.470 4.173 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.880 3.921 1.489 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.753 2.881 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.786 0.655 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.962 1.761 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.415 1.426 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.660 1.539 4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.266 2.315 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.309 3.283 4.030 1.00 0.00 H new ATOM 658 N VAL A 42 -2.898 6.769 1.672 1.00 0.00 N ATOM 659 CA VAL A 42 -2.860 7.976 0.795 1.00 0.00 C ATOM 660 C VAL A 42 -2.484 7.563 -0.620 1.00 0.00 C ATOM 661 O VAL A 42 -1.478 6.926 -0.859 1.00 0.00 O ATOM 662 CB VAL A 42 -1.828 8.970 1.338 1.00 0.00 C ATOM 663 CG1 VAL A 42 -0.469 8.285 1.534 1.00 0.00 C ATOM 664 CG2 VAL A 42 -1.678 10.131 0.356 1.00 0.00 C ATOM 0 H VAL A 42 -2.036 6.225 1.685 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.842 8.449 0.782 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.172 9.342 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.250 9.007 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.574 7.464 2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.116 7.897 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.944 10.840 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.344 9.750 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.638 10.632 0.236 1.00 0.00 H new ATOM 674 N LYS A 43 -3.305 7.929 -1.561 1.00 0.00 N ATOM 675 CA LYS A 43 -3.050 7.580 -2.982 1.00 0.00 C ATOM 676 C LYS A 43 -2.347 8.727 -3.706 1.00 0.00 C ATOM 677 O LYS A 43 -2.696 9.885 -3.568 1.00 0.00 O ATOM 678 CB LYS A 43 -4.379 7.278 -3.683 1.00 0.00 C ATOM 679 CG LYS A 43 -4.117 6.944 -5.174 1.00 0.00 C ATOM 680 CD LYS A 43 -4.484 8.143 -6.053 1.00 0.00 C ATOM 681 CE LYS A 43 -4.242 7.792 -7.517 1.00 0.00 C ATOM 682 NZ LYS A 43 -2.789 7.535 -7.729 1.00 0.00 N ATOM 0 H LYS A 43 -4.158 8.465 -1.401 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.405 6.701 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.877 6.441 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.047 8.136 -3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.068 6.685 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.704 6.074 -5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.529 8.413 -5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.886 9.010 -5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.823 6.912 -7.792 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.576 8.608 -8.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.435 8.149 -8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.269 7.737 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.648 6.539 -7.994 1.00 0.00 H new ATOM 696 N GLY A 44 -1.370 8.389 -4.501 1.00 0.00 N ATOM 697 CA GLY A 44 -0.622 9.408 -5.292 1.00 0.00 C ATOM 698 C GLY A 44 0.505 10.016 -4.462 1.00 0.00 C ATOM 699 O GLY A 44 0.921 11.130 -4.708 1.00 0.00 O ATOM 0 H GLY A 44 -1.052 7.430 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.211 8.948 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.303 10.193 -5.619 1.00 0.00 H new ATOM 703 N SER A 45 1.014 9.305 -3.485 1.00 0.00 N ATOM 704 CA SER A 45 2.124 9.875 -2.651 1.00 0.00 C ATOM 705 C SER A 45 3.153 8.804 -2.287 1.00 0.00 C ATOM 706 O SER A 45 3.216 7.737 -2.875 1.00 0.00 O ATOM 707 CB SER A 45 1.542 10.461 -1.369 1.00 0.00 C ATOM 708 OG SER A 45 2.528 11.261 -0.736 1.00 0.00 O ATOM 0 H SER A 45 0.714 8.364 -3.229 1.00 0.00 H new ATOM 0 HA SER A 45 2.623 10.650 -3.233 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.660 11.060 -1.596 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.221 9.661 -0.702 1.00 0.00 H new ATOM 0 HG SER A 45 2.095 11.883 -0.114 1.00 0.00 H new ATOM 714 N MET A 46 3.981 9.116 -1.326 1.00 0.00 N ATOM 715 CA MET A 46 5.056 8.180 -0.887 1.00 0.00 C ATOM 716 C MET A 46 4.551 7.242 0.196 1.00 0.00 C ATOM 717 O MET A 46 3.825 7.625 1.091 1.00 0.00 O ATOM 718 CB MET A 46 6.239 8.990 -0.344 1.00 0.00 C ATOM 719 CG MET A 46 6.895 9.765 -1.488 1.00 0.00 C ATOM 720 SD MET A 46 8.273 10.747 -0.844 1.00 0.00 S ATOM 721 CE MET A 46 9.540 9.458 -0.939 1.00 0.00 C ATOM 0 H MET A 46 3.956 9.999 -0.816 1.00 0.00 H new ATOM 0 HA MET A 46 5.368 7.583 -1.744 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.897 9.680 0.428 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.966 8.325 0.122 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.253 9.074 -2.251 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.163 10.416 -1.966 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.490 9.855 -0.583 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.245 8.611 -0.319 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.649 9.130 -1.973 1.00 0.00 H new ATOM 731 N VAL A 47 4.950 6.003 0.118 1.00 0.00 N ATOM 732 CA VAL A 47 4.528 4.991 1.129 1.00 0.00 C ATOM 733 C VAL A 47 5.723 4.124 1.511 1.00 0.00 C ATOM 734 O VAL A 47 6.702 4.044 0.794 1.00 0.00 O ATOM 735 CB VAL A 47 3.422 4.114 0.545 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.171 4.966 0.314 1.00 0.00 C ATOM 737 CG2 VAL A 47 3.880 3.512 -0.791 1.00 0.00 C ATOM 0 H VAL A 47 5.561 5.642 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 47 4.152 5.500 2.017 1.00 0.00 H new ATOM 0 HB VAL A 47 3.198 3.307 1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.379 4.344 -0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.839 5.389 1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.403 5.772 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.085 2.888 -1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.109 4.314 -1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.771 2.905 -0.630 1.00 0.00 H new ATOM 747 N HIS A 48 5.645 3.478 2.645 1.00 0.00 N ATOM 748 CA HIS A 48 6.766 2.605 3.115 1.00 0.00 C ATOM 749 C HIS A 48 6.254 1.192 3.379 1.00 0.00 C ATOM 750 O HIS A 48 5.242 0.984 4.024 1.00 0.00 O ATOM 751 CB HIS A 48 7.358 3.188 4.400 1.00 0.00 C ATOM 752 CG HIS A 48 7.846 4.588 4.132 1.00 0.00 C ATOM 753 ND1 HIS A 48 8.218 5.010 2.865 1.00 0.00 N ATOM 754 CD2 HIS A 48 8.033 5.671 4.956 1.00 0.00 C ATOM 755 CE1 HIS A 48 8.607 6.294 2.963 1.00 0.00 C ATOM 756 NE2 HIS A 48 8.514 6.747 4.215 1.00 0.00 N ATOM 0 H HIS A 48 4.843 3.518 3.274 1.00 0.00 H new ATOM 0 HA HIS A 48 7.536 2.563 2.344 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.606 3.197 5.189 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.180 2.565 4.751 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.837 5.686 6.018 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.953 6.887 2.129 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.745 7.680 4.555 1.00 0.00 H new ATOM 764 N PHE A 49 6.961 0.224 2.873 1.00 0.00 N ATOM 765 CA PHE A 49 6.565 -1.198 3.058 1.00 0.00 C ATOM 766 C PHE A 49 7.792 -2.095 2.942 1.00 0.00 C ATOM 767 O PHE A 49 8.816 -1.710 2.407 1.00 0.00 O ATOM 768 CB PHE A 49 5.554 -1.590 1.986 1.00 0.00 C ATOM 769 CG PHE A 49 6.158 -1.389 0.614 1.00 0.00 C ATOM 770 CD1 PHE A 49 6.935 -2.401 0.037 1.00 0.00 C ATOM 771 CD2 PHE A 49 5.940 -0.192 -0.081 1.00 0.00 C ATOM 772 CE1 PHE A 49 7.489 -2.219 -1.235 1.00 0.00 C ATOM 773 CE2 PHE A 49 6.494 -0.011 -1.355 1.00 0.00 C ATOM 774 CZ PHE A 49 7.270 -1.024 -1.932 1.00 0.00 C ATOM 0 H PHE A 49 7.813 0.361 2.329 1.00 0.00 H new ATOM 0 HA PHE A 49 6.119 -1.319 4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.259 -2.631 2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.651 -0.988 2.088 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.107 -3.322 0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.345 0.591 0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.086 -3.001 -1.680 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.323 0.910 -1.892 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.699 -0.884 -2.913 1.00 0.00 H new ATOM 784 N ASP A 50 7.691 -3.296 3.444 1.00 0.00 N ATOM 785 CA ASP A 50 8.832 -4.254 3.385 1.00 0.00 C ATOM 786 C ASP A 50 8.571 -5.277 2.271 1.00 0.00 C ATOM 787 O ASP A 50 7.437 -5.594 1.965 1.00 0.00 O ATOM 788 CB ASP A 50 8.953 -4.988 4.728 1.00 0.00 C ATOM 789 CG ASP A 50 9.642 -4.079 5.750 1.00 0.00 C ATOM 790 OD1 ASP A 50 10.610 -3.433 5.381 1.00 0.00 O ATOM 791 OD2 ASP A 50 9.195 -4.047 6.884 1.00 0.00 O ATOM 0 H ASP A 50 6.853 -3.659 3.899 1.00 0.00 H new ATOM 0 HA ASP A 50 9.756 -3.712 3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.965 -5.273 5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.524 -5.908 4.601 1.00 0.00 H new ATOM 796 N PRO A 51 9.613 -5.798 1.670 1.00 0.00 N ATOM 797 CA PRO A 51 9.487 -6.803 0.577 1.00 0.00 C ATOM 798 C PRO A 51 9.020 -8.162 1.084 1.00 0.00 C ATOM 799 O PRO A 51 9.131 -8.480 2.253 1.00 0.00 O ATOM 800 CB PRO A 51 10.903 -6.889 -0.010 1.00 0.00 C ATOM 801 CG PRO A 51 11.813 -6.483 1.106 1.00 0.00 C ATOM 802 CD PRO A 51 11.026 -5.490 1.963 1.00 0.00 C ATOM 0 HA PRO A 51 8.736 -6.510 -0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.127 -7.899 -0.353 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.014 -6.228 -0.870 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.117 -7.349 1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.723 -6.026 0.718 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.249 -5.614 3.023 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.271 -4.460 1.705 1.00 0.00 H new ATOM 810 N THR A 52 8.497 -8.967 0.202 1.00 0.00 N ATOM 811 CA THR A 52 8.016 -10.315 0.599 1.00 0.00 C ATOM 812 C THR A 52 8.223 -11.296 -0.565 1.00 0.00 C ATOM 813 O THR A 52 8.165 -10.916 -1.721 1.00 0.00 O ATOM 814 CB THR A 52 6.527 -10.239 0.948 1.00 0.00 C ATOM 815 OG1 THR A 52 5.835 -9.512 -0.060 1.00 0.00 O ATOM 816 CG2 THR A 52 6.363 -9.530 2.291 1.00 0.00 C ATOM 0 H THR A 52 8.382 -8.744 -0.787 1.00 0.00 H new ATOM 0 HA THR A 52 8.576 -10.662 1.467 1.00 0.00 H new ATOM 0 HB THR A 52 6.115 -11.246 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.712 -8.585 0.232 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.305 -9.473 2.545 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.892 -10.088 3.064 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.775 -8.523 2.224 1.00 0.00 H new ATOM 824 N PRO A 53 8.463 -12.549 -0.265 1.00 0.00 N ATOM 825 CA PRO A 53 8.680 -13.603 -1.302 1.00 0.00 C ATOM 826 C PRO A 53 7.393 -13.919 -2.067 1.00 0.00 C ATOM 827 O PRO A 53 7.289 -13.695 -3.256 1.00 0.00 O ATOM 828 CB PRO A 53 9.135 -14.824 -0.482 1.00 0.00 C ATOM 829 CG PRO A 53 8.553 -14.611 0.880 1.00 0.00 C ATOM 830 CD PRO A 53 8.551 -13.104 1.099 1.00 0.00 C ATOM 0 HA PRO A 53 9.401 -13.296 -2.060 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.776 -15.753 -0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.222 -14.890 -0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.543 -15.016 0.942 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.146 -15.116 1.642 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.707 -12.790 1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.456 -12.773 1.608 1.00 0.00 H new ATOM 838 N THR A 54 6.417 -14.430 -1.373 1.00 0.00 N ATOM 839 CA THR A 54 5.117 -14.774 -1.995 1.00 0.00 C ATOM 840 C THR A 54 5.327 -15.759 -3.160 1.00 0.00 C ATOM 841 O THR A 54 6.324 -15.708 -3.855 1.00 0.00 O ATOM 842 CB THR A 54 4.426 -13.506 -2.505 1.00 0.00 C ATOM 843 OG1 THR A 54 5.015 -13.104 -3.733 1.00 0.00 O ATOM 844 CG2 THR A 54 4.570 -12.390 -1.470 1.00 0.00 C ATOM 0 H THR A 54 6.471 -14.627 -0.374 1.00 0.00 H new ATOM 0 HA THR A 54 4.485 -15.246 -1.243 1.00 0.00 H new ATOM 0 HB THR A 54 3.367 -13.710 -2.665 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.941 -12.823 -3.575 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.077 -11.489 -1.836 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.108 -12.701 -0.533 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.627 -12.183 -1.303 1.00 0.00 H new ATOM 852 N PRO A 55 4.387 -16.650 -3.380 1.00 0.00 N ATOM 853 CA PRO A 55 4.468 -17.647 -4.488 1.00 0.00 C ATOM 854 C PRO A 55 4.270 -16.991 -5.858 1.00 0.00 C ATOM 855 O PRO A 55 3.243 -17.138 -6.489 1.00 0.00 O ATOM 856 CB PRO A 55 3.330 -18.629 -4.167 1.00 0.00 C ATOM 857 CG PRO A 55 2.339 -17.826 -3.387 1.00 0.00 C ATOM 858 CD PRO A 55 3.151 -16.810 -2.594 1.00 0.00 C ATOM 0 HA PRO A 55 5.443 -18.130 -4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.885 -19.030 -5.078 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.693 -19.479 -3.589 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.632 -17.328 -4.051 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.757 -18.464 -2.722 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.618 -15.865 -2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.362 -17.167 -1.586 1.00 0.00 H new ATOM 866 N LYS A 56 5.257 -16.269 -6.306 1.00 0.00 N ATOM 867 CA LYS A 56 5.183 -15.583 -7.622 1.00 0.00 C ATOM 868 C LYS A 56 3.995 -14.626 -7.655 1.00 0.00 C ATOM 869 O LYS A 56 2.908 -14.979 -8.071 1.00 0.00 O ATOM 870 CB LYS A 56 5.066 -16.618 -8.748 1.00 0.00 C ATOM 871 CG LYS A 56 4.953 -15.913 -10.106 1.00 0.00 C ATOM 872 CD LYS A 56 6.220 -15.083 -10.364 1.00 0.00 C ATOM 873 CE LYS A 56 6.344 -14.778 -11.853 1.00 0.00 C ATOM 874 NZ LYS A 56 5.225 -13.890 -12.275 1.00 0.00 N ATOM 0 H LYS A 56 6.132 -16.123 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 56 6.096 -15.006 -7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.937 -17.273 -8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.192 -17.248 -8.583 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.821 -16.649 -10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.075 -15.268 -10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.179 -14.154 -9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.099 -15.628 -10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.301 -14.297 -12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.323 -15.704 -12.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.374 -13.587 -13.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.326 -14.408 -12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.192 -13.055 -11.656 1.00 0.00 H new ATOM 888 N GLY A 57 4.202 -13.412 -7.239 1.00 0.00 N ATOM 889 CA GLY A 57 3.099 -12.408 -7.250 1.00 0.00 C ATOM 890 C GLY A 57 3.533 -11.178 -6.447 1.00 0.00 C ATOM 891 O GLY A 57 3.055 -10.083 -6.657 1.00 0.00 O ATOM 0 H GLY A 57 5.095 -13.066 -6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.860 -12.123 -8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.195 -12.838 -6.820 1.00 0.00 H new ATOM 895 N LEU A 58 4.442 -11.367 -5.525 1.00 0.00 N ATOM 896 CA LEU A 58 4.942 -10.241 -4.680 1.00 0.00 C ATOM 897 C LEU A 58 3.806 -9.630 -3.875 1.00 0.00 C ATOM 898 O LEU A 58 2.655 -9.664 -4.265 1.00 0.00 O ATOM 899 CB LEU A 58 5.589 -9.160 -5.549 1.00 0.00 C ATOM 900 CG LEU A 58 6.651 -9.791 -6.455 1.00 0.00 C ATOM 901 CD1 LEU A 58 7.266 -8.706 -7.343 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.751 -10.436 -5.597 1.00 0.00 C ATOM 0 H LEU A 58 4.866 -12.271 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 58 5.689 -10.643 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.830 -8.664 -6.154 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.043 -8.396 -4.918 1.00 0.00 H new ATOM 0 HG LEU A 58 6.188 -10.557 -7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.023 -9.151 -7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.487 -8.252 -7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.727 -7.942 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.504 -10.883 -6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.217 -9.675 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.313 -11.208 -4.964 1.00 0.00 H new ATOM 914 N ALA A 59 4.131 -9.069 -2.745 1.00 0.00 N ATOM 915 CA ALA A 59 3.093 -8.442 -1.883 1.00 0.00 C ATOM 916 C ALA A 59 3.732 -7.376 -1.001 1.00 0.00 C ATOM 917 O ALA A 59 4.915 -7.400 -0.726 1.00 0.00 O ATOM 918 CB ALA A 59 2.442 -9.503 -0.998 1.00 0.00 C ATOM 0 H ALA A 59 5.081 -9.018 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 59 2.335 -7.985 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.683 -9.037 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.977 -10.264 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.201 -9.966 -0.367 1.00 0.00 H new ATOM 924 N ALA A 60 2.942 -6.441 -0.561 1.00 0.00 N ATOM 925 CA ALA A 60 3.455 -5.342 0.311 1.00 0.00 C ATOM 926 C ALA A 60 2.956 -5.567 1.733 1.00 0.00 C ATOM 927 O ALA A 60 1.920 -5.071 2.129 1.00 0.00 O ATOM 928 CB ALA A 60 2.935 -4.002 -0.218 1.00 0.00 C ATOM 0 H ALA A 60 1.945 -6.388 -0.770 1.00 0.00 H new ATOM 0 HA ALA A 60 4.545 -5.333 0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.305 -3.194 0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.285 -3.854 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.845 -4.004 -0.204 1.00 0.00 H new ATOM 934 N LYS A 61 3.691 -6.319 2.506 1.00 0.00 N ATOM 935 CA LYS A 61 3.273 -6.596 3.910 1.00 0.00 C ATOM 936 C LYS A 61 3.838 -5.534 4.850 1.00 0.00 C ATOM 937 O LYS A 61 4.906 -4.991 4.637 1.00 0.00 O ATOM 938 CB LYS A 61 3.777 -7.973 4.349 1.00 0.00 C ATOM 939 CG LYS A 61 3.222 -8.276 5.742 1.00 0.00 C ATOM 940 CD LYS A 61 3.622 -9.684 6.179 1.00 0.00 C ATOM 941 CE LYS A 61 3.037 -9.960 7.567 1.00 0.00 C ATOM 942 NZ LYS A 61 3.407 -11.337 8.003 1.00 0.00 N ATOM 0 H LYS A 61 4.568 -6.756 2.224 1.00 0.00 H new ATOM 0 HA LYS A 61 2.184 -6.576 3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.457 -8.736 3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.867 -7.989 4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.599 -7.545 6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.136 -8.185 5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.255 -10.419 5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.708 -9.777 6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.412 -9.228 8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.952 -9.855 7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.008 -11.522 8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.028 -12.029 7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.443 -11.422 8.042 1.00 0.00 H new ATOM 956 N ALA A 62 3.107 -5.253 5.893 1.00 0.00 N ATOM 957 CA ALA A 62 3.532 -4.241 6.900 1.00 0.00 C ATOM 958 C ALA A 62 3.628 -2.870 6.239 1.00 0.00 C ATOM 959 O ALA A 62 4.664 -2.230 6.244 1.00 0.00 O ATOM 960 CB ALA A 62 4.877 -4.650 7.502 1.00 0.00 C ATOM 0 H ALA A 62 2.210 -5.695 6.094 1.00 0.00 H new ATOM 0 HA ALA A 62 2.796 -4.187 7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.187 -3.909 8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.779 -5.622 7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.626 -4.711 6.712 1.00 0.00 H new ATOM 966 N ILE A 63 2.544 -2.417 5.673 1.00 0.00 N ATOM 967 CA ILE A 63 2.536 -1.090 4.995 1.00 0.00 C ATOM 968 C ILE A 63 2.337 0.018 6.024 1.00 0.00 C ATOM 969 O ILE A 63 1.435 -0.015 6.837 1.00 0.00 O ATOM 970 CB ILE A 63 1.401 -1.048 3.964 1.00 0.00 C ATOM 971 CG1 ILE A 63 1.656 -2.111 2.891 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.359 0.333 3.308 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.429 -2.246 1.984 1.00 0.00 C ATOM 0 H ILE A 63 1.654 -2.915 5.651 1.00 0.00 H new ATOM 0 HA ILE A 63 3.490 -0.939 4.490 1.00 0.00 H new ATOM 0 HB ILE A 63 0.450 -1.244 4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.529 -1.838 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.877 -3.069 3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.553 0.363 2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.186 1.093 4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.309 0.528 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.620 -3.004 1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.434 -2.540 2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.227 -1.290 1.500 1.00 0.00 H new ATOM 985 N SER A 64 3.188 1.005 5.981 1.00 0.00 N ATOM 986 CA SER A 64 3.092 2.150 6.936 1.00 0.00 C ATOM 987 C SER A 64 3.289 3.457 6.178 1.00 0.00 C ATOM 988 O SER A 64 4.263 3.644 5.466 1.00 0.00 O ATOM 989 CB SER A 64 4.163 2.008 8.017 1.00 0.00 C ATOM 990 OG SER A 64 4.062 0.717 8.610 1.00 0.00 O ATOM 0 H SER A 64 3.958 1.070 5.315 1.00 0.00 H new ATOM 0 HA SER A 64 2.109 2.152 7.408 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.154 2.146 7.584 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.036 2.781 8.775 1.00 0.00 H new ATOM 0 HG SER A 64 4.748 0.621 9.303 1.00 0.00 H new ATOM 996 N LEU A 65 2.356 4.363 6.326 1.00 0.00 N ATOM 997 CA LEU A 65 2.451 5.670 5.624 1.00 0.00 C ATOM 998 C LEU A 65 3.222 6.667 6.515 1.00 0.00 C ATOM 999 O LEU A 65 2.936 6.803 7.690 1.00 0.00 O ATOM 1000 CB LEU A 65 1.042 6.237 5.300 1.00 0.00 C ATOM 1001 CG LEU A 65 -0.032 5.652 6.234 1.00 0.00 C ATOM 1002 CD1 LEU A 65 0.267 6.020 7.693 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -1.415 6.216 5.840 1.00 0.00 C ATOM 0 H LEU A 65 1.527 4.248 6.909 1.00 0.00 H new ATOM 0 HA LEU A 65 2.979 5.522 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.055 7.323 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.787 6.011 4.265 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.029 4.566 6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.502 5.598 8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.240 5.619 7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.276 7.105 7.800 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.178 5.803 6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.405 7.302 5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.640 5.941 4.809 1.00 0.00 H new ATOM 1015 N PRO A 66 4.186 7.370 5.960 1.00 0.00 N ATOM 1016 CA PRO A 66 4.986 8.369 6.722 1.00 0.00 C ATOM 1017 C PRO A 66 4.194 9.658 6.951 1.00 0.00 C ATOM 1018 O PRO A 66 4.603 10.529 7.691 1.00 0.00 O ATOM 1019 CB PRO A 66 6.193 8.626 5.810 1.00 0.00 C ATOM 1020 CG PRO A 66 5.696 8.360 4.423 1.00 0.00 C ATOM 1021 CD PRO A 66 4.616 7.293 4.551 1.00 0.00 C ATOM 0 HA PRO A 66 5.264 8.017 7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.552 9.650 5.911 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.026 7.970 6.063 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.294 9.268 3.974 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.506 8.018 3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.786 7.485 3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.004 6.304 4.308 1.00 0.00 H new ATOM 1029 N LEU A 67 3.063 9.781 6.308 1.00 0.00 N ATOM 1030 CA LEU A 67 2.225 11.009 6.459 1.00 0.00 C ATOM 1031 C LEU A 67 1.133 10.763 7.493 1.00 0.00 C ATOM 1032 O LEU A 67 0.428 9.775 7.455 1.00 0.00 O ATOM 1033 CB LEU A 67 1.590 11.359 5.108 1.00 0.00 C ATOM 1034 CG LEU A 67 2.689 11.530 4.048 1.00 0.00 C ATOM 1035 CD1 LEU A 67 2.051 11.801 2.681 1.00 0.00 C ATOM 1036 CD2 LEU A 67 3.602 12.708 4.429 1.00 0.00 C ATOM 0 H LEU A 67 2.679 9.076 5.678 1.00 0.00 H new ATOM 0 HA LEU A 67 2.850 11.837 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.899 10.572 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.009 12.277 5.195 1.00 0.00 H new ATOM 0 HG LEU A 67 3.281 10.616 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.833 11.922 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.411 10.963 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.454 12.712 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.379 12.825 3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.011 13.622 4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.063 12.513 5.397 1.00 0.00 H new ATOM 1048 N GLU A 68 0.997 11.669 8.420 1.00 0.00 N ATOM 1049 CA GLU A 68 -0.038 11.531 9.485 1.00 0.00 C ATOM 1050 C GLU A 68 -1.310 12.256 9.046 1.00 0.00 C ATOM 1051 O GLU A 68 -2.252 12.394 9.801 1.00 0.00 O ATOM 1052 CB GLU A 68 0.492 12.152 10.784 1.00 0.00 C ATOM 1053 CG GLU A 68 1.692 11.335 11.294 1.00 0.00 C ATOM 1054 CD GLU A 68 2.966 11.758 10.555 1.00 0.00 C ATOM 1055 OE1 GLU A 68 2.863 12.563 9.644 1.00 0.00 O ATOM 1056 OE2 GLU A 68 4.023 11.267 10.913 1.00 0.00 O ATOM 0 H GLU A 68 1.567 12.512 8.487 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.263 10.478 9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.791 13.186 10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.295 12.171 11.538 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.816 11.487 12.366 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.509 10.271 11.142 1.00 0.00 H new ATOM 1063 N HIS A 69 -1.338 12.712 7.821 1.00 0.00 N ATOM 1064 CA HIS A 69 -2.539 13.429 7.297 1.00 0.00 C ATOM 1065 C HIS A 69 -2.910 14.573 8.238 1.00 0.00 C ATOM 1066 O HIS A 69 -4.015 14.652 8.738 1.00 0.00 O ATOM 1067 CB HIS A 69 -3.706 12.447 7.171 1.00 0.00 C ATOM 1068 CG HIS A 69 -4.910 13.164 6.627 1.00 0.00 C ATOM 1069 ND1 HIS A 69 -6.075 13.579 7.223 1.00 0.00 N flip ATOM 1070 CD2 HIS A 69 -5.012 13.541 5.295 1.00 0.00 C flip ATOM 1071 CE1 HIS A 69 -6.889 14.201 6.282 1.00 0.00 C flip ATOM 1072 NE2 HIS A 69 -6.202 14.151 5.137 1.00 0.00 N flip ATOM 0 H HIS A 69 -0.572 12.617 7.154 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.315 13.843 6.314 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.432 11.623 6.512 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.937 12.014 8.144 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.272 13.375 4.526 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.866 14.632 6.442 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.538 14.529 4.251 1.00 0.00 H new ATOM 1080 N HIS A 70 -1.982 15.463 8.465 1.00 0.00 N ATOM 1081 CA HIS A 70 -2.232 16.630 9.359 1.00 0.00 C ATOM 1082 C HIS A 70 -2.887 16.180 10.661 1.00 0.00 C ATOM 1083 O HIS A 70 -3.144 15.012 10.880 1.00 0.00 O ATOM 1084 CB HIS A 70 -3.141 17.641 8.654 1.00 0.00 C ATOM 1085 CG HIS A 70 -2.414 18.237 7.477 1.00 0.00 C ATOM 1086 ND1 HIS A 70 -2.360 17.605 6.245 1.00 0.00 N ATOM 1087 CD2 HIS A 70 -1.706 19.406 7.330 1.00 0.00 C ATOM 1088 CE1 HIS A 70 -1.641 18.387 5.418 1.00 0.00 C ATOM 1089 NE2 HIS A 70 -1.219 19.497 6.030 1.00 0.00 N ATOM 0 H HIS A 70 -1.046 15.430 8.062 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.275 17.097 9.590 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.056 17.152 8.320 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.436 18.427 9.349 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.551 20.142 8.105 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.431 18.146 4.386 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.659 20.250 5.630 1.00 0.00 H new ATOM 1097 N HIS A 71 -3.146 17.113 11.530 1.00 0.00 N ATOM 1098 CA HIS A 71 -3.776 16.791 12.838 1.00 0.00 C ATOM 1099 C HIS A 71 -5.120 16.104 12.601 1.00 0.00 C ATOM 1100 O HIS A 71 -5.228 14.895 12.674 1.00 0.00 O ATOM 1101 CB HIS A 71 -3.999 18.093 13.619 1.00 0.00 C ATOM 1102 CG HIS A 71 -2.675 18.758 13.892 1.00 0.00 C ATOM 1103 ND1 HIS A 71 -1.779 18.260 14.827 1.00 0.00 N ATOM 1104 CD2 HIS A 71 -2.085 19.885 13.372 1.00 0.00 C ATOM 1105 CE1 HIS A 71 -0.711 19.079 14.840 1.00 0.00 C ATOM 1106 NE2 HIS A 71 -0.845 20.085 13.972 1.00 0.00 N ATOM 0 H HIS A 71 -2.944 18.103 11.387 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.126 16.126 13.406 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -4.643 18.764 13.050 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.510 17.881 14.558 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.518 20.519 12.613 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.151 18.939 15.476 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.182 20.838 13.788 1.00 0.00 H new ATOM 1114 N HIS A 72 -6.139 16.874 12.313 1.00 0.00 N ATOM 1115 CA HIS A 72 -7.501 16.302 12.065 1.00 0.00 C ATOM 1116 C HIS A 72 -7.769 15.149 13.028 1.00 0.00 C ATOM 1117 O HIS A 72 -7.603 13.988 12.696 1.00 0.00 O ATOM 1118 CB HIS A 72 -7.605 15.827 10.615 1.00 0.00 C ATOM 1119 CG HIS A 72 -7.553 17.023 9.700 1.00 0.00 C ATOM 1120 ND1 HIS A 72 -6.356 17.561 9.253 1.00 0.00 N ATOM 1121 CD2 HIS A 72 -8.543 17.801 9.148 1.00 0.00 C ATOM 1122 CE1 HIS A 72 -6.652 18.615 8.470 1.00 0.00 C ATOM 1123 NE2 HIS A 72 -7.970 18.806 8.372 1.00 0.00 N ATOM 0 H HIS A 72 -6.085 17.890 12.238 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.252 17.074 12.236 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -6.790 15.141 10.384 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.535 15.279 10.465 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.603 17.655 9.294 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.913 19.232 7.980 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -8.453 19.532 7.843 1.00 0.00 H new ATOM 1131 N HIS A 73 -8.178 15.472 14.223 1.00 0.00 N ATOM 1132 CA HIS A 73 -8.467 14.427 15.246 1.00 0.00 C ATOM 1133 C HIS A 73 -9.680 13.614 14.797 1.00 0.00 C ATOM 1134 O HIS A 73 -9.715 12.406 14.935 1.00 0.00 O ATOM 1135 CB HIS A 73 -8.776 15.107 16.585 1.00 0.00 C ATOM 1136 CG HIS A 73 -7.526 15.753 17.124 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -6.464 15.007 17.611 1.00 0.00 N ATOM 1138 CD2 HIS A 73 -7.157 17.068 17.268 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -5.516 15.870 18.020 1.00 0.00 C ATOM 1140 NE2 HIS A 73 -5.887 17.139 17.833 1.00 0.00 N ATOM 0 H HIS A 73 -8.327 16.430 14.539 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.606 13.769 15.361 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -9.556 15.856 16.452 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -9.155 14.374 17.298 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.761 17.918 16.986 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.570 15.572 18.448 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -5.354 17.980 18.056 1.00 0.00 H new ATOM 1148 N HIS A 74 -10.670 14.272 14.262 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.892 13.556 13.794 1.00 0.00 C ATOM 1150 C HIS A 74 -12.641 14.436 12.787 1.00 0.00 C ATOM 1151 O HIS A 74 -13.210 13.886 11.858 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.796 13.257 14.994 1.00 0.00 C ATOM 1153 CG HIS A 74 -13.267 14.545 15.618 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -12.518 15.226 16.566 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -14.414 15.279 15.449 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -13.219 16.317 16.929 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -14.382 16.398 16.277 1.00 0.00 N ATOM 1158 OXT HIS A 74 -12.631 15.643 12.960 1.00 0.00 O ATOM 0 H HIS A 74 -10.686 15.283 14.127 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.609 12.619 13.314 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -13.653 12.663 14.675 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.253 12.664 15.730 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -15.220 15.027 14.776 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -12.882 17.039 17.658 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -15.093 17.123 16.366 1.00 0.00 H new TER 1166 HIS A 74