USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 704 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 7 TYR OH : rot 144:sc= -0.218 USER MOD Set 1.2: A 37 MET CE :methyl 149:sc= -0.3 (180deg=-3.3!) USER MOD Single : A 1 MET CE :methyl -104:sc= -1.17 (180deg=-2.78!) USER MOD Single : A 1 MET N :NH3+ -157:sc= -4.22! (180deg=-5.4!) USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0304) USER MOD Single : A 5 TYR OH : rot 30:sc= -0.0035 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.887 K(o=-0.89,f=-4.8!) USER MOD Single : A 12 HIS :FLIP no HE2:sc= 0.00253 F(o=-1.1,f=0.0025) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0918) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.627 X(o=-0.63,f=-0.19) USER MOD Single : A 21 LYS NZ :NH3+ 148:sc= -0.265 (180deg=-1.27!) USER MOD Single : A 25 THR OG1 : rot 78:sc= 0.379 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.252 K(o=-0.25,f=-2.5!) USER MOD Single : A 35 ASN : amide:sc= -0.895 K(o=-0.9,f=-2.1!) USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= -1.18 (180deg=-1.96!) USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= -0.483 (180deg=-1.57) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -120:sc= 0.176 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 60 GLN : amide:sc=7.87e-05 K(o=7.9e-05,f=-1.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00512 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -3.17 K(o=-3.2,f=-11!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS :FLIP no HE2:sc= -0.754 F(o=-2.3,f=-0.75) USER MOD Single : A 81 GLN : amide:sc= -0.0904 X(o=-0.09,f=-0.09) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00642) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.939 0.004 -4.489 1.00 0.00 N ATOM 2 CA MET A 1 -10.551 -0.415 -4.823 1.00 0.00 C ATOM 3 C MET A 1 -9.503 0.348 -4.033 1.00 0.00 C ATOM 4 O MET A 1 -9.240 1.520 -4.291 1.00 0.00 O ATOM 5 CB MET A 1 -10.326 -0.198 -6.314 1.00 0.00 C ATOM 6 CG MET A 1 -9.104 -0.907 -6.868 1.00 0.00 C ATOM 7 SD MET A 1 -8.984 -0.774 -8.664 1.00 0.00 S ATOM 8 CE MET A 1 -8.196 0.825 -8.832 1.00 0.00 C ATOM 0 H1 MET A 1 -12.600 -0.762 -4.729 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.004 0.211 -3.472 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.185 0.856 -5.032 1.00 0.00 H new ATOM 0 HA MET A 1 -10.443 -1.467 -4.558 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.208 -0.539 -6.857 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.229 0.871 -6.504 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.207 -0.486 -6.415 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.139 -1.959 -6.586 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.935 1.564 -9.141 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.765 1.120 -7.875 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.408 0.765 -9.582 1.00 0.00 H new ATOM 20 N PHE A 2 -8.879 -0.340 -3.090 1.00 0.00 N ATOM 21 CA PHE A 2 -7.837 0.263 -2.280 1.00 0.00 C ATOM 22 C PHE A 2 -6.544 0.365 -3.076 1.00 0.00 C ATOM 23 O PHE A 2 -6.300 -0.428 -3.985 1.00 0.00 O ATOM 24 CB PHE A 2 -7.615 -0.553 -1.009 1.00 0.00 C ATOM 25 CG PHE A 2 -8.781 -0.502 -0.066 1.00 0.00 C ATOM 26 CD1 PHE A 2 -9.843 -1.379 -0.212 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.818 0.425 0.963 1.00 0.00 C ATOM 28 CE1 PHE A 2 -10.920 -1.334 0.650 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.893 0.476 1.828 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.946 -0.406 1.672 1.00 0.00 C ATOM 0 H PHE A 2 -9.077 -1.316 -2.868 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.152 1.267 -1.997 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.420 -1.591 -1.280 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.726 -0.184 -0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.828 -2.107 -1.010 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.997 1.115 1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.741 -2.024 0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.911 1.204 2.625 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.787 -0.369 2.348 1.00 0.00 H new ATOM 40 N LYS A 3 -5.722 1.346 -2.739 1.00 0.00 N ATOM 41 CA LYS A 3 -4.461 1.549 -3.429 1.00 0.00 C ATOM 42 C LYS A 3 -3.295 1.274 -2.496 1.00 0.00 C ATOM 43 O LYS A 3 -3.156 1.918 -1.458 1.00 0.00 O ATOM 44 CB LYS A 3 -4.373 2.978 -3.965 1.00 0.00 C ATOM 45 CG LYS A 3 -5.026 3.162 -5.326 1.00 0.00 C ATOM 46 CD LYS A 3 -6.443 3.702 -5.198 1.00 0.00 C ATOM 47 CE LYS A 3 -6.656 4.926 -6.073 1.00 0.00 C ATOM 48 NZ LYS A 3 -6.496 4.610 -7.520 1.00 0.00 N ATOM 0 H LYS A 3 -5.907 2.014 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.412 0.853 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.844 3.654 -3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.324 3.267 -4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.428 3.846 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.046 2.208 -5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.155 2.926 -5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.643 3.958 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.654 5.328 -5.898 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.945 5.702 -5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.828 5.414 -8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.493 4.430 -7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.055 3.765 -7.755 1.00 0.00 H new ATOM 62 N VAL A 4 -2.457 0.310 -2.855 1.00 0.00 N ATOM 63 CA VAL A 4 -1.311 -0.025 -2.020 1.00 0.00 C ATOM 64 C VAL A 4 0.008 0.317 -2.696 1.00 0.00 C ATOM 65 O VAL A 4 0.235 -0.011 -3.860 1.00 0.00 O ATOM 66 CB VAL A 4 -1.283 -1.515 -1.621 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.075 -1.892 -1.046 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.369 -1.821 -0.613 1.00 0.00 C ATOM 0 H VAL A 4 -2.546 -0.246 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.428 0.580 -1.121 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.462 -2.105 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.074 -2.947 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.849 -1.713 -1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.277 -1.287 -0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.331 -2.877 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.217 -1.215 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.343 -1.592 -1.046 1.00 0.00 H new ATOM 78 N TYR A 5 0.884 0.945 -1.927 1.00 0.00 N ATOM 79 CA TYR A 5 2.204 1.308 -2.397 1.00 0.00 C ATOM 80 C TYR A 5 3.239 0.468 -1.662 1.00 0.00 C ATOM 81 O TYR A 5 3.584 0.760 -0.519 1.00 0.00 O ATOM 82 CB TYR A 5 2.468 2.792 -2.149 1.00 0.00 C ATOM 83 CG TYR A 5 1.610 3.712 -2.985 1.00 0.00 C ATOM 84 CD1 TYR A 5 1.311 3.404 -4.304 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.110 4.894 -2.456 1.00 0.00 C ATOM 86 CE1 TYR A 5 0.536 4.250 -5.074 1.00 0.00 C ATOM 87 CE2 TYR A 5 0.336 5.745 -3.222 1.00 0.00 C ATOM 88 CZ TYR A 5 0.052 5.418 -4.530 1.00 0.00 C ATOM 89 OH TYR A 5 -0.718 6.262 -5.295 1.00 0.00 O ATOM 0 H TYR A 5 0.696 1.215 -0.962 1.00 0.00 H new ATOM 0 HA TYR A 5 2.269 1.121 -3.469 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.298 3.010 -1.095 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.518 3.004 -2.353 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.690 2.489 -4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.329 5.152 -1.431 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.311 3.996 -6.099 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.045 6.662 -2.797 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.214 5.740 -5.960 1.00 0.00 H new ATOM 99 N GLY A 6 3.714 -0.588 -2.308 1.00 0.00 N ATOM 100 CA GLY A 6 4.687 -1.455 -1.679 1.00 0.00 C ATOM 101 C GLY A 6 5.472 -2.269 -2.683 1.00 0.00 C ATOM 102 O GLY A 6 5.864 -1.765 -3.735 1.00 0.00 O ATOM 0 H GLY A 6 3.443 -0.858 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.376 -0.853 -1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.177 -2.128 -0.990 1.00 0.00 H new ATOM 106 N TYR A 7 5.712 -3.530 -2.350 1.00 0.00 N ATOM 107 CA TYR A 7 6.463 -4.418 -3.211 1.00 0.00 C ATOM 108 C TYR A 7 5.659 -5.668 -3.558 1.00 0.00 C ATOM 109 O TYR A 7 4.733 -6.042 -2.840 1.00 0.00 O ATOM 110 CB TYR A 7 7.759 -4.799 -2.513 1.00 0.00 C ATOM 111 CG TYR A 7 8.607 -3.604 -2.145 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.184 -2.812 -3.126 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.819 -3.260 -0.816 1.00 0.00 C ATOM 114 CE1 TYR A 7 9.952 -1.714 -2.796 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.584 -2.161 -0.477 1.00 0.00 C ATOM 116 CZ TYR A 7 10.148 -1.391 -1.471 1.00 0.00 C ATOM 117 OH TYR A 7 10.913 -0.296 -1.140 1.00 0.00 O ATOM 0 H TYR A 7 5.392 -3.959 -1.481 1.00 0.00 H new ATOM 0 HA TYR A 7 6.682 -3.902 -4.146 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.526 -5.364 -1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.334 -5.459 -3.162 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.030 -3.059 -4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.378 -3.862 -0.035 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.397 -1.110 -3.573 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.739 -1.907 0.561 1.00 0.00 H new ATOM 0 HH TYR A 7 10.537 0.138 -0.346 1.00 0.00 H new ATOM 127 N ASP A 8 6.020 -6.308 -4.666 1.00 0.00 N ATOM 128 CA ASP A 8 5.333 -7.515 -5.111 1.00 0.00 C ATOM 129 C ASP A 8 6.048 -8.766 -4.611 1.00 0.00 C ATOM 130 O ASP A 8 5.594 -9.417 -3.669 1.00 0.00 O ATOM 131 CB ASP A 8 5.241 -7.539 -6.639 1.00 0.00 C ATOM 132 CG ASP A 8 3.816 -7.386 -7.134 1.00 0.00 C ATOM 133 OD1 ASP A 8 3.037 -6.659 -6.484 1.00 0.00 O ATOM 134 OD2 ASP A 8 3.479 -7.996 -8.171 1.00 0.00 O ATOM 0 H ASP A 8 6.785 -6.011 -5.272 1.00 0.00 H new ATOM 0 HA ASP A 8 4.326 -7.506 -4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.854 -6.737 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.653 -8.477 -7.011 1.00 0.00 H new ATOM 139 N SER A 9 7.166 -9.101 -5.250 1.00 0.00 N ATOM 140 CA SER A 9 7.946 -10.278 -4.871 1.00 0.00 C ATOM 141 C SER A 9 9.098 -10.505 -5.846 1.00 0.00 C ATOM 142 O SER A 9 10.173 -10.960 -5.456 1.00 0.00 O ATOM 143 CB SER A 9 7.051 -11.521 -4.820 1.00 0.00 C ATOM 144 OG SER A 9 7.148 -12.165 -3.562 1.00 0.00 O ATOM 0 H SER A 9 7.553 -8.574 -6.033 1.00 0.00 H new ATOM 0 HA SER A 9 8.362 -10.101 -3.879 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.016 -11.236 -5.008 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.339 -12.214 -5.610 1.00 0.00 H new ATOM 0 HG SER A 9 6.567 -12.954 -3.553 1.00 0.00 H new ATOM 150 N ASN A 10 8.866 -10.190 -7.116 1.00 0.00 N ATOM 151 CA ASN A 10 9.885 -10.364 -8.147 1.00 0.00 C ATOM 152 C ASN A 10 11.007 -9.338 -7.996 1.00 0.00 C ATOM 153 O ASN A 10 12.133 -9.571 -8.435 1.00 0.00 O ATOM 154 CB ASN A 10 9.257 -10.250 -9.537 1.00 0.00 C ATOM 155 CG ASN A 10 8.036 -11.135 -9.696 1.00 0.00 C ATOM 156 OD1 ASN A 10 7.524 -11.685 -8.721 1.00 0.00 O ATOM 157 ND2 ASN A 10 7.562 -11.278 -10.929 1.00 0.00 N ATOM 0 H ASN A 10 7.982 -9.813 -7.457 1.00 0.00 H new ATOM 0 HA ASN A 10 10.315 -11.358 -8.028 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.977 -9.213 -9.722 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.998 -10.519 -10.290 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.743 -11.862 -11.096 1.00 0.00 H new ATOM 0 HD22 ASN A 10 8.018 -10.804 -11.709 1.00 0.00 H new ATOM 164 N ILE A 11 10.694 -8.206 -7.372 1.00 0.00 N ATOM 165 CA ILE A 11 11.681 -7.148 -7.165 1.00 0.00 C ATOM 166 C ILE A 11 12.111 -7.085 -5.704 1.00 0.00 C ATOM 167 O ILE A 11 13.288 -6.891 -5.400 1.00 0.00 O ATOM 168 CB ILE A 11 11.143 -5.759 -7.584 1.00 0.00 C ATOM 169 CG1 ILE A 11 10.074 -5.888 -8.673 1.00 0.00 C ATOM 170 CG2 ILE A 11 12.287 -4.878 -8.065 1.00 0.00 C ATOM 171 CD1 ILE A 11 8.689 -6.177 -8.134 1.00 0.00 C ATOM 0 H ILE A 11 9.767 -7.997 -7.001 1.00 0.00 H new ATOM 0 HA ILE A 11 12.535 -7.396 -7.795 1.00 0.00 H new ATOM 0 HB ILE A 11 10.681 -5.295 -6.713 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.044 -4.965 -9.252 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.361 -6.685 -9.359 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.897 -3.903 -8.357 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.012 -4.753 -7.261 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.772 -5.347 -8.921 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.985 -6.255 -8.963 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.703 -7.116 -7.580 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.381 -5.369 -7.471 1.00 0.00 H new ATOM 183 N HIS A 12 11.148 -7.253 -4.801 1.00 0.00 N ATOM 184 CA HIS A 12 11.426 -7.218 -3.374 1.00 0.00 C ATOM 185 C HIS A 12 10.367 -7.992 -2.594 1.00 0.00 C ATOM 186 O HIS A 12 9.271 -8.239 -3.097 1.00 0.00 O ATOM 187 CB HIS A 12 11.489 -5.772 -2.877 1.00 0.00 C ATOM 188 CG HIS A 12 12.173 -5.624 -1.552 1.00 0.00 C ATOM 189 ND1 HIS A 12 11.731 -5.071 -0.394 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 13.450 -6.070 -1.295 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 12.726 -5.177 0.573 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 13.736 -5.785 -0.018 1.00 0.00 N flip ATOM 0 H HIS A 12 10.169 -7.415 -5.036 1.00 0.00 H new ATOM 0 HA HIS A 12 12.393 -7.692 -3.207 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.011 -5.165 -3.616 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.475 -5.378 -2.800 1.00 0.00 H new ATOM 0 HD1 HIS A 12 10.815 -4.645 -0.255 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.105 -6.562 -1.999 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.681 -4.833 1.596 1.00 0.00 H new ATOM 200 N LYS A 13 10.702 -8.374 -1.364 1.00 0.00 N ATOM 201 CA LYS A 13 9.780 -9.119 -0.515 1.00 0.00 C ATOM 202 C LYS A 13 8.768 -8.187 0.142 1.00 0.00 C ATOM 203 O LYS A 13 8.869 -6.966 0.024 1.00 0.00 O ATOM 204 CB LYS A 13 10.554 -9.898 0.552 1.00 0.00 C ATOM 205 CG LYS A 13 11.243 -9.016 1.583 1.00 0.00 C ATOM 206 CD LYS A 13 11.192 -9.642 2.969 1.00 0.00 C ATOM 207 CE LYS A 13 11.852 -8.755 4.015 1.00 0.00 C ATOM 208 NZ LYS A 13 11.103 -7.484 4.229 1.00 0.00 N ATOM 0 H LYS A 13 11.606 -8.179 -0.934 1.00 0.00 H new ATOM 0 HA LYS A 13 9.235 -9.824 -1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.868 -10.571 1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.303 -10.520 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.281 -8.856 1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.764 -8.037 1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.154 -9.822 3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.690 -10.612 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.921 -9.297 4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.871 -8.526 3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.497 -6.983 5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.188 -6.884 3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.100 -7.697 4.402 1.00 0.00 H new ATOM 222 N CYS A 14 7.794 -8.768 0.837 1.00 0.00 N ATOM 223 CA CYS A 14 6.768 -7.984 1.517 1.00 0.00 C ATOM 224 C CYS A 14 6.023 -8.840 2.544 1.00 0.00 C ATOM 225 O CYS A 14 5.423 -9.859 2.203 1.00 0.00 O ATOM 226 CB CYS A 14 5.791 -7.380 0.499 1.00 0.00 C ATOM 227 SG CYS A 14 4.519 -8.536 -0.121 1.00 0.00 S ATOM 0 H CYS A 14 7.694 -9.777 0.944 1.00 0.00 H new ATOM 0 HA CYS A 14 7.256 -7.168 2.049 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.293 -6.526 0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.361 -7.000 -0.349 1.00 0.00 H new ATOM 232 N VAL A 15 6.077 -8.427 3.806 1.00 0.00 N ATOM 233 CA VAL A 15 5.417 -9.165 4.879 1.00 0.00 C ATOM 234 C VAL A 15 3.995 -8.668 5.122 1.00 0.00 C ATOM 235 O VAL A 15 3.074 -9.464 5.311 1.00 0.00 O ATOM 236 CB VAL A 15 6.210 -9.079 6.200 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.462 -9.939 6.135 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.570 -7.637 6.523 1.00 0.00 C ATOM 0 H VAL A 15 6.569 -7.587 4.111 1.00 0.00 H new ATOM 0 HA VAL A 15 5.377 -10.204 4.551 1.00 0.00 H new ATOM 0 HB VAL A 15 5.574 -9.459 6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.005 -9.863 7.077 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.181 -10.978 5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.099 -9.594 5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.128 -7.602 7.458 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.182 -7.226 5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.658 -7.048 6.623 1.00 0.00 H new ATOM 248 N TYR A 16 3.825 -7.352 5.131 1.00 0.00 N ATOM 249 CA TYR A 16 2.517 -6.752 5.369 1.00 0.00 C ATOM 250 C TYR A 16 1.731 -6.567 4.075 1.00 0.00 C ATOM 251 O TYR A 16 0.550 -6.223 4.104 1.00 0.00 O ATOM 252 CB TYR A 16 2.675 -5.405 6.078 1.00 0.00 C ATOM 253 CG TYR A 16 2.893 -5.529 7.568 1.00 0.00 C ATOM 254 CD1 TYR A 16 1.968 -6.182 8.373 1.00 0.00 C ATOM 255 CD2 TYR A 16 4.024 -4.993 8.170 1.00 0.00 C ATOM 256 CE1 TYR A 16 2.164 -6.299 9.736 1.00 0.00 C ATOM 257 CE2 TYR A 16 4.227 -5.106 9.532 1.00 0.00 C ATOM 258 CZ TYR A 16 3.295 -5.758 10.310 1.00 0.00 C ATOM 259 OH TYR A 16 3.493 -5.873 11.667 1.00 0.00 O ATOM 0 H TYR A 16 4.576 -6.679 4.976 1.00 0.00 H new ATOM 0 HA TYR A 16 1.955 -7.436 6.005 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.517 -4.869 5.639 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.785 -4.802 5.898 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.081 -6.605 7.926 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.756 -4.480 7.564 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.436 -6.811 10.348 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.112 -4.685 9.985 1.00 0.00 H new ATOM 0 HH TYR A 16 4.337 -5.440 11.912 1.00 0.00 H new ATOM 269 N CYS A 17 2.384 -6.787 2.938 1.00 0.00 N ATOM 270 CA CYS A 17 1.721 -6.631 1.648 1.00 0.00 C ATOM 271 C CYS A 17 1.025 -7.928 1.239 1.00 0.00 C ATOM 272 O CYS A 17 -0.058 -7.904 0.655 1.00 0.00 O ATOM 273 CB CYS A 17 2.731 -6.166 0.585 1.00 0.00 C ATOM 274 SG CYS A 17 3.030 -7.330 -0.793 1.00 0.00 S ATOM 0 H CYS A 17 3.362 -7.071 2.883 1.00 0.00 H new ATOM 0 HA CYS A 17 0.952 -5.864 1.735 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.382 -5.221 0.168 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.682 -5.965 1.078 1.00 0.00 H new ATOM 279 N ASP A 18 1.647 -9.056 1.562 1.00 0.00 N ATOM 280 CA ASP A 18 1.082 -10.359 1.235 1.00 0.00 C ATOM 281 C ASP A 18 -0.181 -10.620 2.051 1.00 0.00 C ATOM 282 O ASP A 18 -1.134 -11.230 1.564 1.00 0.00 O ATOM 283 CB ASP A 18 2.108 -11.464 1.499 1.00 0.00 C ATOM 284 CG ASP A 18 1.952 -12.633 0.547 1.00 0.00 C ATOM 285 OD1 ASP A 18 1.119 -13.521 0.828 1.00 0.00 O ATOM 286 OD2 ASP A 18 2.662 -12.660 -0.481 1.00 0.00 O ATOM 0 H ASP A 18 2.542 -9.094 2.050 1.00 0.00 H new ATOM 0 HA ASP A 18 0.820 -10.360 0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.113 -11.053 1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.003 -11.817 2.525 1.00 0.00 H new ATOM 291 N ASN A 19 -0.179 -10.155 3.297 1.00 0.00 N ATOM 292 CA ASN A 19 -1.320 -10.338 4.187 1.00 0.00 C ATOM 293 C ASN A 19 -2.457 -9.389 3.825 1.00 0.00 C ATOM 294 O ASN A 19 -3.610 -9.804 3.710 1.00 0.00 O ATOM 295 CB ASN A 19 -0.899 -10.115 5.642 1.00 0.00 C ATOM 296 CG ASN A 19 0.035 -11.198 6.146 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.271 -12.387 6.056 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.181 -10.791 6.677 1.00 0.00 N ATOM 0 H ASN A 19 0.602 -9.648 3.713 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.677 -11.361 4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.408 -9.146 5.731 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.787 -10.082 6.273 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.850 -11.474 7.031 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.393 -9.795 6.731 1.00 0.00 H new ATOM 305 N ALA A 20 -2.127 -8.113 3.649 1.00 0.00 N ATOM 306 CA ALA A 20 -3.126 -7.107 3.302 1.00 0.00 C ATOM 307 C ALA A 20 -3.916 -7.523 2.066 1.00 0.00 C ATOM 308 O ALA A 20 -5.140 -7.404 2.030 1.00 0.00 O ATOM 309 CB ALA A 20 -2.459 -5.758 3.075 1.00 0.00 C ATOM 0 H ALA A 20 -1.178 -7.751 3.741 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.824 -7.020 4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.215 -5.017 2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.944 -5.449 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.739 -5.840 2.261 1.00 0.00 H new ATOM 315 N LYS A 21 -3.207 -8.019 1.058 1.00 0.00 N ATOM 316 CA LYS A 21 -3.843 -8.458 -0.178 1.00 0.00 C ATOM 317 C LYS A 21 -4.837 -9.581 0.099 1.00 0.00 C ATOM 318 O LYS A 21 -6.007 -9.492 -0.271 1.00 0.00 O ATOM 319 CB LYS A 21 -2.786 -8.931 -1.179 1.00 0.00 C ATOM 320 CG LYS A 21 -3.369 -9.399 -2.502 1.00 0.00 C ATOM 321 CD LYS A 21 -2.438 -10.371 -3.209 1.00 0.00 C ATOM 322 CE LYS A 21 -2.877 -11.813 -3.005 1.00 0.00 C ATOM 323 NZ LYS A 21 -4.291 -12.027 -3.419 1.00 0.00 N ATOM 0 H LYS A 21 -2.193 -8.127 1.073 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.383 -7.613 -0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.086 -8.117 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.215 -9.746 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.332 -9.878 -2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.553 -8.538 -3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.415 -10.144 -4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.423 -10.242 -2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.227 -12.475 -3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.761 -12.083 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.403 -12.995 -3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.917 -11.891 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.542 -11.346 -4.164 1.00 0.00 H new ATOM 337 N ARG A 22 -4.362 -10.635 0.757 1.00 0.00 N ATOM 338 CA ARG A 22 -5.211 -11.774 1.087 1.00 0.00 C ATOM 339 C ARG A 22 -6.393 -11.334 1.948 1.00 0.00 C ATOM 340 O ARG A 22 -7.494 -11.870 1.831 1.00 0.00 O ATOM 341 CB ARG A 22 -4.403 -12.848 1.818 1.00 0.00 C ATOM 342 CG ARG A 22 -3.847 -13.923 0.899 1.00 0.00 C ATOM 343 CD ARG A 22 -4.724 -15.164 0.895 1.00 0.00 C ATOM 344 NE ARG A 22 -5.717 -15.131 -0.176 1.00 0.00 N ATOM 345 CZ ARG A 22 -5.446 -15.425 -1.446 1.00 0.00 C ATOM 346 NH1 ARG A 22 -4.217 -15.773 -1.806 1.00 0.00 N ATOM 347 NH2 ARG A 22 -6.408 -15.373 -2.358 1.00 0.00 N ATOM 0 H ARG A 22 -3.396 -10.723 1.071 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.595 -12.193 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.578 -12.372 2.347 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.036 -13.317 2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.767 -13.530 -0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.839 -14.190 1.218 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.098 -16.049 0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.231 -15.253 1.856 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.673 -14.868 0.063 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.474 -15.816 -1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.015 -15.997 -2.780 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.355 -15.108 -2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.201 -15.598 -3.331 1.00 0.00 H new ATOM 361 N LEU A 23 -6.151 -10.350 2.806 1.00 0.00 N ATOM 362 CA LEU A 23 -7.189 -9.825 3.686 1.00 0.00 C ATOM 363 C LEU A 23 -8.349 -9.263 2.872 1.00 0.00 C ATOM 364 O LEU A 23 -9.501 -9.655 3.057 1.00 0.00 O ATOM 365 CB LEU A 23 -6.605 -8.737 4.593 1.00 0.00 C ATOM 366 CG LEU A 23 -7.621 -7.965 5.440 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.929 -7.307 6.623 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.336 -6.918 4.600 1.00 0.00 C ATOM 0 H LEU A 23 -5.243 -9.898 2.911 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.565 -10.640 4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.878 -9.198 5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.061 -8.025 3.972 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.363 -8.671 5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.663 -6.762 7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.459 -8.072 7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.169 -6.615 6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.053 -6.381 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.607 -6.215 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.861 -7.407 3.779 1.00 0.00 H new ATOM 380 N LEU A 24 -8.033 -8.340 1.970 1.00 0.00 N ATOM 381 CA LEU A 24 -9.044 -7.716 1.125 1.00 0.00 C ATOM 382 C LEU A 24 -9.842 -8.767 0.364 1.00 0.00 C ATOM 383 O LEU A 24 -11.071 -8.711 0.314 1.00 0.00 O ATOM 384 CB LEU A 24 -8.386 -6.746 0.143 1.00 0.00 C ATOM 385 CG LEU A 24 -7.775 -5.500 0.785 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.478 -5.121 0.092 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.759 -4.343 0.740 1.00 0.00 C ATOM 0 H LEU A 24 -7.083 -8.007 1.805 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.730 -7.163 1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.605 -7.277 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.130 -6.433 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.553 -5.726 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.060 -4.232 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.768 -5.944 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.674 -4.915 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.308 -3.464 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.011 -4.120 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.664 -4.614 1.283 1.00 0.00 H new ATOM 399 N THR A 25 -9.137 -9.731 -0.220 1.00 0.00 N ATOM 400 CA THR A 25 -9.786 -10.799 -0.968 1.00 0.00 C ATOM 401 C THR A 25 -10.773 -11.542 -0.074 1.00 0.00 C ATOM 402 O THR A 25 -11.845 -11.956 -0.518 1.00 0.00 O ATOM 403 CB THR A 25 -8.744 -11.773 -1.521 1.00 0.00 C ATOM 404 OG1 THR A 25 -7.686 -11.072 -2.148 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.312 -12.746 -2.532 1.00 0.00 C ATOM 0 H THR A 25 -8.119 -9.794 -0.189 1.00 0.00 H new ATOM 0 HA THR A 25 -10.329 -10.357 -1.804 1.00 0.00 H new ATOM 0 HB THR A 25 -8.388 -12.336 -0.658 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.086 -10.706 -1.465 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.521 -13.408 -2.884 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.099 -13.338 -2.065 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.726 -12.194 -3.376 1.00 0.00 H new ATOM 413 N VAL A 26 -10.403 -11.694 1.193 1.00 0.00 N ATOM 414 CA VAL A 26 -11.246 -12.375 2.168 1.00 0.00 C ATOM 415 C VAL A 26 -12.355 -11.450 2.661 1.00 0.00 C ATOM 416 O VAL A 26 -13.476 -11.889 2.922 1.00 0.00 O ATOM 417 CB VAL A 26 -10.418 -12.859 3.375 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.286 -13.642 4.348 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.239 -13.700 2.908 1.00 0.00 C ATOM 0 H VAL A 26 -9.519 -11.352 1.570 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.688 -13.239 1.671 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.031 -11.984 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.680 -13.973 5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.093 -13.005 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.708 -14.510 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.665 -14.034 3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.606 -14.567 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.601 -13.102 2.257 1.00 0.00 H new ATOM 429 N LYS A 27 -12.033 -10.166 2.784 1.00 0.00 N ATOM 430 CA LYS A 27 -12.997 -9.172 3.242 1.00 0.00 C ATOM 431 C LYS A 27 -14.041 -8.875 2.162 1.00 0.00 C ATOM 432 O LYS A 27 -15.037 -8.202 2.424 1.00 0.00 O ATOM 433 CB LYS A 27 -12.275 -7.881 3.640 1.00 0.00 C ATOM 434 CG LYS A 27 -12.610 -7.400 5.043 1.00 0.00 C ATOM 435 CD LYS A 27 -13.849 -6.520 5.050 1.00 0.00 C ATOM 436 CE LYS A 27 -14.640 -6.681 6.339 1.00 0.00 C ATOM 437 NZ LYS A 27 -15.944 -5.965 6.283 1.00 0.00 N ATOM 0 H LYS A 27 -11.109 -9.789 2.572 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.513 -9.579 4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.199 -8.040 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.530 -7.098 2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.769 -8.259 5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.765 -6.844 5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.556 -5.477 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.482 -6.774 4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.815 -7.740 6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.053 -6.301 7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.453 -6.099 7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.777 -4.950 6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.515 -6.345 5.501 1.00 0.00 H new ATOM 451 N LYS A 28 -13.805 -9.379 0.951 1.00 0.00 N ATOM 452 CA LYS A 28 -14.725 -9.165 -0.165 1.00 0.00 C ATOM 453 C LYS A 28 -14.618 -7.735 -0.689 1.00 0.00 C ATOM 454 O LYS A 28 -15.627 -7.093 -0.984 1.00 0.00 O ATOM 455 CB LYS A 28 -16.168 -9.460 0.257 1.00 0.00 C ATOM 456 CG LYS A 28 -17.053 -9.924 -0.889 1.00 0.00 C ATOM 457 CD LYS A 28 -17.368 -11.408 -0.787 1.00 0.00 C ATOM 458 CE LYS A 28 -16.197 -12.259 -1.252 1.00 0.00 C ATOM 459 NZ LYS A 28 -16.172 -12.407 -2.733 1.00 0.00 N ATOM 0 H LYS A 28 -12.984 -9.938 0.718 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.446 -9.852 -0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.162 -10.225 1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.600 -8.562 0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.982 -9.353 -0.887 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.557 -9.721 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.614 -11.659 0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.247 -11.637 -1.389 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.264 -11.807 -0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.258 -13.244 -0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.359 -12.994 -3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.051 -12.862 -3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.088 -11.469 -3.174 1.00 0.00 H new ATOM 473 N GLN A 29 -13.389 -7.244 -0.803 1.00 0.00 N ATOM 474 CA GLN A 29 -13.152 -5.893 -1.290 1.00 0.00 C ATOM 475 C GLN A 29 -12.070 -5.881 -2.368 1.00 0.00 C ATOM 476 O GLN A 29 -11.013 -6.490 -2.202 1.00 0.00 O ATOM 477 CB GLN A 29 -12.741 -4.978 -0.132 1.00 0.00 C ATOM 478 CG GLN A 29 -13.920 -4.445 0.667 1.00 0.00 C ATOM 479 CD GLN A 29 -14.531 -3.204 0.048 1.00 0.00 C ATOM 480 OE1 GLN A 29 -13.853 -2.197 -0.152 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.822 -3.269 -0.257 1.00 0.00 N ATOM 0 H GLN A 29 -12.543 -7.762 -0.565 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.080 -5.525 -1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.077 -5.527 0.536 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.171 -4.138 -0.528 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.682 -5.221 0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.593 -4.217 1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.347 -4.124 -0.074 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.289 -2.464 -0.674 1.00 0.00 H new ATOM 490 N PRO A 30 -12.314 -5.176 -3.489 1.00 0.00 N ATOM 491 CA PRO A 30 -11.349 -5.081 -4.586 1.00 0.00 C ATOM 492 C PRO A 30 -10.294 -4.023 -4.309 1.00 0.00 C ATOM 493 O PRO A 30 -10.516 -3.127 -3.500 1.00 0.00 O ATOM 494 CB PRO A 30 -12.226 -4.648 -5.754 1.00 0.00 C ATOM 495 CG PRO A 30 -13.240 -3.768 -5.114 1.00 0.00 C ATOM 496 CD PRO A 30 -13.540 -4.402 -3.779 1.00 0.00 C ATOM 0 HA PRO A 30 -10.801 -6.009 -4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.652 -4.115 -6.512 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.689 -5.502 -6.247 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.858 -2.755 -4.990 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.140 -3.697 -5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.734 -3.652 -3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.420 -5.044 -3.827 1.00 0.00 H new ATOM 504 N PHE A 31 -9.151 -4.124 -4.977 1.00 0.00 N ATOM 505 CA PHE A 31 -8.079 -3.156 -4.783 1.00 0.00 C ATOM 506 C PHE A 31 -7.079 -3.184 -5.936 1.00 0.00 C ATOM 507 O PHE A 31 -7.127 -4.069 -6.791 1.00 0.00 O ATOM 508 CB PHE A 31 -7.361 -3.413 -3.473 1.00 0.00 C ATOM 509 CG PHE A 31 -6.845 -4.810 -3.374 1.00 0.00 C ATOM 510 CD1 PHE A 31 -7.727 -5.863 -3.248 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.489 -5.072 -3.427 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.271 -7.159 -3.173 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.021 -6.366 -3.351 1.00 0.00 C ATOM 514 CZ PHE A 31 -5.913 -7.416 -3.225 1.00 0.00 C ATOM 0 H PHE A 31 -8.944 -4.860 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.536 -2.167 -4.755 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.531 -2.714 -3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.042 -3.220 -2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.788 -5.668 -3.208 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.790 -4.255 -3.529 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.972 -7.974 -3.074 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.959 -6.560 -3.390 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.551 -8.432 -3.168 1.00 0.00 H new ATOM 524 N GLU A 32 -6.163 -2.216 -5.945 1.00 0.00 N ATOM 525 CA GLU A 32 -5.145 -2.137 -6.985 1.00 0.00 C ATOM 526 C GLU A 32 -3.760 -1.991 -6.368 1.00 0.00 C ATOM 527 O GLU A 32 -3.490 -1.031 -5.646 1.00 0.00 O ATOM 528 CB GLU A 32 -5.424 -0.959 -7.919 1.00 0.00 C ATOM 529 CG GLU A 32 -5.080 -1.242 -9.373 1.00 0.00 C ATOM 530 CD GLU A 32 -5.853 -2.419 -9.938 1.00 0.00 C ATOM 531 OE1 GLU A 32 -7.041 -2.241 -10.279 1.00 0.00 O ATOM 532 OE2 GLU A 32 -5.269 -3.519 -10.040 1.00 0.00 O ATOM 0 H GLU A 32 -6.107 -1.478 -5.243 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.177 -3.061 -7.563 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.478 -0.692 -7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.853 -0.094 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.288 -0.355 -9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.011 -1.440 -9.458 1.00 0.00 H new ATOM 539 N PHE A 33 -2.888 -2.952 -6.651 1.00 0.00 N ATOM 540 CA PHE A 33 -1.536 -2.937 -6.124 1.00 0.00 C ATOM 541 C PHE A 33 -0.592 -2.188 -7.053 1.00 0.00 C ATOM 542 O PHE A 33 -0.815 -2.117 -8.262 1.00 0.00 O ATOM 543 CB PHE A 33 -1.038 -4.364 -5.924 1.00 0.00 C ATOM 544 CG PHE A 33 0.106 -4.449 -4.967 1.00 0.00 C ATOM 545 CD1 PHE A 33 -0.098 -4.231 -3.621 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.383 -4.735 -5.415 1.00 0.00 C ATOM 547 CE1 PHE A 33 0.954 -4.293 -2.728 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.442 -4.801 -4.529 1.00 0.00 C ATOM 549 CZ PHE A 33 2.226 -4.578 -3.182 1.00 0.00 C ATOM 0 H PHE A 33 -3.098 -3.753 -7.246 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.554 -2.420 -5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.858 -4.982 -5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.732 -4.776 -6.886 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.092 -4.009 -3.261 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.554 -4.908 -6.467 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.782 -4.119 -1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.435 -5.026 -4.888 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.051 -4.627 -2.486 1.00 0.00 H new ATOM 559 N ILE A 34 0.468 -1.635 -6.476 1.00 0.00 N ATOM 560 CA ILE A 34 1.462 -0.895 -7.238 1.00 0.00 C ATOM 561 C ILE A 34 2.840 -1.063 -6.620 1.00 0.00 C ATOM 562 O ILE A 34 3.058 -0.735 -5.454 1.00 0.00 O ATOM 563 CB ILE A 34 1.135 0.607 -7.311 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.344 0.819 -7.635 1.00 0.00 C ATOM 565 CG2 ILE A 34 2.016 1.292 -8.344 1.00 0.00 C ATOM 566 CD1 ILE A 34 -0.816 2.237 -7.410 1.00 0.00 C ATOM 0 H ILE A 34 0.660 -1.687 -5.476 1.00 0.00 H new ATOM 0 HA ILE A 34 1.449 -1.303 -8.249 1.00 0.00 H new ATOM 0 HB ILE A 34 1.338 1.053 -6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.522 0.547 -8.675 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.942 0.144 -7.022 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.772 2.354 -8.383 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.063 1.170 -8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.845 0.844 -9.323 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.874 2.312 -7.660 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.670 2.507 -6.364 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.244 2.916 -8.043 1.00 0.00 H new ATOM 578 N ASN A 35 3.761 -1.576 -7.413 1.00 0.00 N ATOM 579 CA ASN A 35 5.127 -1.795 -6.959 1.00 0.00 C ATOM 580 C ASN A 35 5.926 -0.501 -7.026 1.00 0.00 C ATOM 581 O ASN A 35 6.241 -0.011 -8.110 1.00 0.00 O ATOM 582 CB ASN A 35 5.805 -2.873 -7.808 1.00 0.00 C ATOM 583 CG ASN A 35 4.902 -4.066 -8.062 1.00 0.00 C ATOM 584 OD1 ASN A 35 4.140 -4.479 -7.187 1.00 0.00 O ATOM 585 ND2 ASN A 35 4.983 -4.625 -9.263 1.00 0.00 N ATOM 0 H ASN A 35 3.590 -1.851 -8.380 1.00 0.00 H new ATOM 0 HA ASN A 35 5.093 -2.132 -5.923 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.109 -2.442 -8.762 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.713 -3.209 -7.306 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.400 -5.430 -9.491 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.629 -4.250 -9.958 1.00 0.00 H new ATOM 592 N ILE A 36 6.249 0.051 -5.863 1.00 0.00 N ATOM 593 CA ILE A 36 7.011 1.289 -5.798 1.00 0.00 C ATOM 594 C ILE A 36 8.406 1.106 -6.383 1.00 0.00 C ATOM 595 O ILE A 36 9.065 2.079 -6.752 1.00 0.00 O ATOM 596 CB ILE A 36 7.134 1.805 -4.351 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.732 0.728 -3.444 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.775 2.247 -3.832 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.416 1.285 -2.214 1.00 0.00 C ATOM 0 H ILE A 36 5.995 -0.339 -4.955 1.00 0.00 H new ATOM 0 HA ILE A 36 6.465 2.025 -6.388 1.00 0.00 H new ATOM 0 HB ILE A 36 7.804 2.665 -4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.941 0.046 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.451 0.141 -4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.876 2.609 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.387 3.046 -4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.086 1.403 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.816 0.465 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.230 1.944 -2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.695 1.847 -1.620 1.00 0.00 H new ATOM 611 N MET A 37 8.855 -0.143 -6.470 1.00 0.00 N ATOM 612 CA MET A 37 10.174 -0.434 -7.013 1.00 0.00 C ATOM 613 C MET A 37 10.093 -1.395 -8.195 1.00 0.00 C ATOM 614 O MET A 37 10.153 -2.613 -8.023 1.00 0.00 O ATOM 615 CB MET A 37 11.084 -1.015 -5.929 1.00 0.00 C ATOM 616 CG MET A 37 12.475 -1.375 -6.429 1.00 0.00 C ATOM 617 SD MET A 37 13.784 -0.861 -5.300 1.00 0.00 S ATOM 618 CE MET A 37 13.157 -1.481 -3.740 1.00 0.00 C ATOM 0 H MET A 37 8.327 -0.964 -6.173 1.00 0.00 H new ATOM 0 HA MET A 37 10.597 0.506 -7.369 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.174 -0.293 -5.117 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.615 -1.906 -5.512 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.534 -2.453 -6.578 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.638 -0.909 -7.401 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.992 -1.750 -3.093 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.558 -0.710 -3.256 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.539 -2.361 -3.920 1.00 0.00 H new ATOM 628 N PRO A 38 9.963 -0.856 -9.419 1.00 0.00 N ATOM 629 CA PRO A 38 9.887 -1.665 -10.634 1.00 0.00 C ATOM 630 C PRO A 38 11.265 -2.118 -11.116 1.00 0.00 C ATOM 631 O PRO A 38 11.384 -2.794 -12.138 1.00 0.00 O ATOM 632 CB PRO A 38 9.256 -0.703 -11.637 1.00 0.00 C ATOM 633 CG PRO A 38 9.741 0.642 -11.216 1.00 0.00 C ATOM 634 CD PRO A 38 9.889 0.589 -9.716 1.00 0.00 C ATOM 0 HA PRO A 38 9.325 -2.588 -10.487 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.563 -0.935 -12.657 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.168 -0.759 -11.611 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.692 0.879 -11.692 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.035 1.419 -11.510 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.786 1.112 -9.384 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.043 1.058 -9.214 1.00 0.00 H new ATOM 642 N GLU A 39 12.304 -1.741 -10.373 1.00 0.00 N ATOM 643 CA GLU A 39 13.672 -2.106 -10.722 1.00 0.00 C ATOM 644 C GLU A 39 14.465 -2.481 -9.474 1.00 0.00 C ATOM 645 O GLU A 39 14.327 -1.849 -8.427 1.00 0.00 O ATOM 646 CB GLU A 39 14.362 -0.947 -11.445 1.00 0.00 C ATOM 647 CG GLU A 39 14.083 -0.908 -12.938 1.00 0.00 C ATOM 648 CD GLU A 39 13.010 0.098 -13.305 1.00 0.00 C ATOM 649 OE1 GLU A 39 13.233 1.308 -13.090 1.00 0.00 O ATOM 650 OE2 GLU A 39 11.948 -0.323 -13.808 1.00 0.00 O ATOM 0 H GLU A 39 12.222 -1.182 -9.524 1.00 0.00 H new ATOM 0 HA GLU A 39 13.635 -2.970 -11.386 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.038 -0.007 -10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.438 -1.020 -11.287 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.003 -0.663 -13.469 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.776 -1.899 -13.272 1.00 0.00 H new ATOM 657 N LYS A 40 15.299 -3.511 -9.590 1.00 0.00 N ATOM 658 CA LYS A 40 16.111 -3.966 -8.462 1.00 0.00 C ATOM 659 C LYS A 40 17.172 -2.946 -8.081 1.00 0.00 C ATOM 660 O LYS A 40 17.843 -3.075 -7.056 1.00 0.00 O ATOM 661 CB LYS A 40 16.757 -5.317 -8.769 1.00 0.00 C ATOM 662 CG LYS A 40 15.778 -6.480 -8.745 1.00 0.00 C ATOM 663 CD LYS A 40 15.538 -6.978 -7.329 1.00 0.00 C ATOM 664 CE LYS A 40 16.553 -8.037 -6.931 1.00 0.00 C ATOM 665 NZ LYS A 40 17.925 -7.473 -6.808 1.00 0.00 N ATOM 0 H LYS A 40 15.431 -4.045 -10.449 1.00 0.00 H new ATOM 0 HA LYS A 40 15.443 -4.082 -7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.228 -5.270 -9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.549 -5.505 -8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.832 -6.169 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.164 -7.295 -9.358 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.593 -6.140 -6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.532 -7.390 -7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.258 -8.484 -5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.554 -8.836 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.500 -8.089 -6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.361 -7.413 -7.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.873 -6.522 -6.389 1.00 0.00 H new ATOM 679 N GLY A 41 17.304 -1.936 -8.909 1.00 0.00 N ATOM 680 CA GLY A 41 18.274 -0.883 -8.670 1.00 0.00 C ATOM 681 C GLY A 41 17.701 0.252 -7.844 1.00 0.00 C ATOM 682 O GLY A 41 18.136 0.493 -6.718 1.00 0.00 O ATOM 0 H GLY A 41 16.752 -1.818 -9.758 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.141 -1.300 -8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.626 -0.493 -9.625 1.00 0.00 H new ATOM 686 N VAL A 42 16.716 0.945 -8.405 1.00 0.00 N ATOM 687 CA VAL A 42 16.080 2.060 -7.715 1.00 0.00 C ATOM 688 C VAL A 42 14.578 2.069 -7.966 1.00 0.00 C ATOM 689 O VAL A 42 14.125 1.808 -9.080 1.00 0.00 O ATOM 690 CB VAL A 42 16.674 3.411 -8.161 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.187 4.535 -7.259 1.00 0.00 C ATOM 692 CG2 VAL A 42 18.193 3.347 -8.171 1.00 0.00 C ATOM 0 H VAL A 42 16.341 0.754 -9.334 1.00 0.00 H new ATOM 0 HA VAL A 42 16.269 1.926 -6.650 1.00 0.00 H new ATOM 0 HB VAL A 42 16.334 3.619 -9.175 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.618 5.480 -7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.100 4.595 -7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.494 4.337 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.596 4.309 -8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.554 3.115 -7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.520 2.571 -8.863 1.00 0.00 H new ATOM 702 N PHE A 43 13.806 2.365 -6.926 1.00 0.00 N ATOM 703 CA PHE A 43 12.351 2.398 -7.054 1.00 0.00 C ATOM 704 C PHE A 43 11.907 3.520 -7.986 1.00 0.00 C ATOM 705 O PHE A 43 12.705 4.372 -8.375 1.00 0.00 O ATOM 706 CB PHE A 43 11.660 2.550 -5.690 1.00 0.00 C ATOM 707 CG PHE A 43 12.501 3.198 -4.628 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.498 4.573 -4.463 1.00 0.00 C ATOM 709 CD2 PHE A 43 13.294 2.428 -3.793 1.00 0.00 C ATOM 710 CE1 PHE A 43 13.271 5.168 -3.485 1.00 0.00 C ATOM 711 CE2 PHE A 43 14.069 3.017 -2.814 1.00 0.00 C ATOM 712 CZ PHE A 43 14.058 4.389 -2.659 1.00 0.00 C ATOM 0 H PHE A 43 14.157 2.584 -5.994 1.00 0.00 H new ATOM 0 HA PHE A 43 12.051 1.442 -7.483 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.751 3.137 -5.822 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.355 1.564 -5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.885 5.187 -5.106 1.00 0.00 H new ATOM 0 HD2 PHE A 43 13.306 1.354 -3.909 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.260 6.241 -3.366 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.683 2.405 -2.170 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.663 4.852 -1.894 1.00 0.00 H new ATOM 722 N ASP A 44 10.626 3.507 -8.345 1.00 0.00 N ATOM 723 CA ASP A 44 10.070 4.519 -9.237 1.00 0.00 C ATOM 724 C ASP A 44 9.612 5.746 -8.455 1.00 0.00 C ATOM 725 O ASP A 44 8.683 5.671 -7.651 1.00 0.00 O ATOM 726 CB ASP A 44 8.899 3.939 -10.033 1.00 0.00 C ATOM 727 CG ASP A 44 8.969 4.297 -11.505 1.00 0.00 C ATOM 728 OD1 ASP A 44 9.485 5.387 -11.827 1.00 0.00 O ATOM 729 OD2 ASP A 44 8.507 3.486 -12.336 1.00 0.00 O ATOM 0 H ASP A 44 9.954 2.807 -8.032 1.00 0.00 H new ATOM 0 HA ASP A 44 10.854 4.826 -9.929 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.891 2.854 -9.925 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.962 4.307 -9.616 1.00 0.00 H new ATOM 734 N ASP A 45 10.267 6.877 -8.700 1.00 0.00 N ATOM 735 CA ASP A 45 9.926 8.124 -8.020 1.00 0.00 C ATOM 736 C ASP A 45 8.635 8.722 -8.573 1.00 0.00 C ATOM 737 O ASP A 45 7.968 9.504 -7.896 1.00 0.00 O ATOM 738 CB ASP A 45 11.067 9.132 -8.163 1.00 0.00 C ATOM 739 CG ASP A 45 12.365 8.628 -7.560 1.00 0.00 C ATOM 740 OD1 ASP A 45 12.572 8.829 -6.345 1.00 0.00 O ATOM 741 OD2 ASP A 45 13.172 8.032 -8.304 1.00 0.00 O ATOM 0 H ASP A 45 11.037 6.956 -9.364 1.00 0.00 H new ATOM 0 HA ASP A 45 9.773 7.898 -6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.222 9.353 -9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.784 10.067 -7.680 1.00 0.00 H new ATOM 746 N GLU A 46 8.286 8.358 -9.805 1.00 0.00 N ATOM 747 CA GLU A 46 7.072 8.871 -10.433 1.00 0.00 C ATOM 748 C GLU A 46 5.838 8.486 -9.622 1.00 0.00 C ATOM 749 O GLU A 46 5.032 9.343 -9.256 1.00 0.00 O ATOM 750 CB GLU A 46 6.946 8.353 -11.870 1.00 0.00 C ATOM 751 CG GLU A 46 6.932 6.837 -11.978 1.00 0.00 C ATOM 752 CD GLU A 46 7.402 6.345 -13.332 1.00 0.00 C ATOM 753 OE1 GLU A 46 8.108 7.106 -14.028 1.00 0.00 O ATOM 754 OE2 GLU A 46 7.064 5.200 -13.698 1.00 0.00 O ATOM 0 H GLU A 46 8.823 7.714 -10.385 1.00 0.00 H new ATOM 0 HA GLU A 46 7.140 9.958 -10.461 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.030 8.747 -12.309 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.776 8.742 -12.460 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.569 6.415 -11.201 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.921 6.473 -11.794 1.00 0.00 H new ATOM 761 N LYS A 47 5.702 7.196 -9.333 1.00 0.00 N ATOM 762 CA LYS A 47 4.573 6.710 -8.553 1.00 0.00 C ATOM 763 C LYS A 47 4.696 7.179 -7.110 1.00 0.00 C ATOM 764 O LYS A 47 3.707 7.542 -6.472 1.00 0.00 O ATOM 765 CB LYS A 47 4.501 5.183 -8.609 1.00 0.00 C ATOM 766 CG LYS A 47 4.637 4.621 -10.015 1.00 0.00 C ATOM 767 CD LYS A 47 4.124 3.191 -10.098 1.00 0.00 C ATOM 768 CE LYS A 47 2.785 3.119 -10.816 1.00 0.00 C ATOM 769 NZ LYS A 47 1.805 4.093 -10.261 1.00 0.00 N ATOM 0 H LYS A 47 6.358 6.472 -9.627 1.00 0.00 H new ATOM 0 HA LYS A 47 3.655 7.114 -8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.289 4.767 -7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.551 4.856 -8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.083 5.248 -10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.683 4.651 -10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.852 2.572 -10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.022 2.781 -9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.931 3.316 -11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.382 2.110 -10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.838 3.756 -10.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.950 4.185 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.941 5.019 -10.714 1.00 0.00 H new ATOM 783 N ILE A 48 5.926 7.181 -6.607 1.00 0.00 N ATOM 784 CA ILE A 48 6.197 7.620 -5.248 1.00 0.00 C ATOM 785 C ILE A 48 5.875 9.103 -5.095 1.00 0.00 C ATOM 786 O ILE A 48 5.414 9.544 -4.043 1.00 0.00 O ATOM 787 CB ILE A 48 7.674 7.369 -4.872 1.00 0.00 C ATOM 788 CG1 ILE A 48 7.954 5.868 -4.792 1.00 0.00 C ATOM 789 CG2 ILE A 48 8.029 8.047 -3.556 1.00 0.00 C ATOM 790 CD1 ILE A 48 9.416 5.518 -4.959 1.00 0.00 C ATOM 0 H ILE A 48 6.752 6.882 -7.125 1.00 0.00 H new ATOM 0 HA ILE A 48 5.562 7.043 -4.576 1.00 0.00 H new ATOM 0 HB ILE A 48 8.300 7.802 -5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.606 5.492 -3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.376 5.357 -5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.075 7.853 -3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.871 9.122 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.396 7.653 -2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.541 4.437 -4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.764 5.863 -5.933 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.998 6.001 -4.174 1.00 0.00 H new ATOM 802 N ALA A 49 6.120 9.867 -6.156 1.00 0.00 N ATOM 803 CA ALA A 49 5.852 11.298 -6.145 1.00 0.00 C ATOM 804 C ALA A 49 4.372 11.559 -5.896 1.00 0.00 C ATOM 805 O ALA A 49 4.007 12.364 -5.039 1.00 0.00 O ATOM 806 CB ALA A 49 6.293 11.932 -7.456 1.00 0.00 C ATOM 0 H ALA A 49 6.504 9.517 -7.034 1.00 0.00 H new ATOM 0 HA ALA A 49 6.423 11.751 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.085 13.002 -7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.362 11.773 -7.595 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.748 11.476 -8.282 1.00 0.00 H new ATOM 812 N GLU A 50 3.525 10.859 -6.645 1.00 0.00 N ATOM 813 CA GLU A 50 2.083 11.001 -6.497 1.00 0.00 C ATOM 814 C GLU A 50 1.672 10.683 -5.063 1.00 0.00 C ATOM 815 O GLU A 50 0.746 11.285 -4.521 1.00 0.00 O ATOM 816 CB GLU A 50 1.356 10.073 -7.477 1.00 0.00 C ATOM 817 CG GLU A 50 -0.124 9.888 -7.172 1.00 0.00 C ATOM 818 CD GLU A 50 -1.004 10.116 -8.387 1.00 0.00 C ATOM 819 OE1 GLU A 50 -0.549 9.822 -9.512 1.00 0.00 O ATOM 820 OE2 GLU A 50 -2.147 10.589 -8.211 1.00 0.00 O ATOM 0 H GLU A 50 3.813 10.190 -7.359 1.00 0.00 H new ATOM 0 HA GLU A 50 1.805 12.031 -6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.461 10.472 -8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.843 9.098 -7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.289 8.880 -6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.417 10.578 -6.381 1.00 0.00 H new ATOM 827 N LEU A 51 2.378 9.735 -4.454 1.00 0.00 N ATOM 828 CA LEU A 51 2.102 9.333 -3.087 1.00 0.00 C ATOM 829 C LEU A 51 2.230 10.528 -2.149 1.00 0.00 C ATOM 830 O LEU A 51 1.312 10.838 -1.389 1.00 0.00 O ATOM 831 CB LEU A 51 3.072 8.227 -2.669 1.00 0.00 C ATOM 832 CG LEU A 51 2.619 7.372 -1.491 1.00 0.00 C ATOM 833 CD1 LEU A 51 3.535 6.172 -1.320 1.00 0.00 C ATOM 834 CD2 LEU A 51 2.575 8.188 -0.220 1.00 0.00 C ATOM 0 H LEU A 51 3.149 9.231 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 51 1.082 8.954 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.243 7.575 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.030 8.683 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 51 1.612 7.012 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.196 5.573 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.513 5.566 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.553 6.515 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.249 7.557 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.569 8.582 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.876 9.015 -0.343 1.00 0.00 H new ATOM 846 N LEU A 52 3.372 11.206 -2.221 1.00 0.00 N ATOM 847 CA LEU A 52 3.629 12.374 -1.394 1.00 0.00 C ATOM 848 C LEU A 52 2.483 13.372 -1.469 1.00 0.00 C ATOM 849 O LEU A 52 2.067 13.940 -0.459 1.00 0.00 O ATOM 850 CB LEU A 52 4.914 13.013 -1.836 1.00 0.00 C ATOM 851 CG LEU A 52 6.129 12.194 -1.458 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.352 12.828 -2.029 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.234 12.065 0.053 1.00 0.00 C ATOM 0 H LEU A 52 4.137 10.962 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 52 3.714 12.057 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.895 13.150 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.995 14.004 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 52 6.031 11.190 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.228 12.239 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.266 12.871 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.457 13.838 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.113 11.473 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.323 13.056 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.341 11.573 0.439 1.00 0.00 H new ATOM 865 N THR A 53 1.971 13.570 -2.678 1.00 0.00 N ATOM 866 CA THR A 53 0.863 14.492 -2.900 1.00 0.00 C ATOM 867 C THR A 53 -0.331 14.112 -2.031 1.00 0.00 C ATOM 868 O THR A 53 -0.902 14.954 -1.339 1.00 0.00 O ATOM 869 CB THR A 53 0.458 14.490 -4.375 1.00 0.00 C ATOM 870 OG1 THR A 53 1.587 14.695 -5.206 1.00 0.00 O ATOM 871 CG2 THR A 53 -0.562 15.554 -4.717 1.00 0.00 C ATOM 0 H THR A 53 2.306 13.104 -3.521 1.00 0.00 H new ATOM 0 HA THR A 53 1.190 15.495 -2.625 1.00 0.00 H new ATOM 0 HB THR A 53 0.011 13.511 -4.550 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.307 14.689 -6.145 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.805 15.497 -5.778 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.466 15.394 -4.129 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.151 16.538 -4.491 1.00 0.00 H new ATOM 879 N LYS A 54 -0.694 12.833 -2.065 1.00 0.00 N ATOM 880 CA LYS A 54 -1.813 12.336 -1.274 1.00 0.00 C ATOM 881 C LYS A 54 -1.545 12.546 0.213 1.00 0.00 C ATOM 882 O LYS A 54 -2.441 12.914 0.972 1.00 0.00 O ATOM 883 CB LYS A 54 -2.053 10.853 -1.562 1.00 0.00 C ATOM 884 CG LYS A 54 -2.155 10.531 -3.043 1.00 0.00 C ATOM 885 CD LYS A 54 -3.003 9.293 -3.287 1.00 0.00 C ATOM 886 CE LYS A 54 -2.650 8.628 -4.608 1.00 0.00 C ATOM 887 NZ LYS A 54 -3.490 9.135 -5.727 1.00 0.00 N ATOM 0 H LYS A 54 -0.229 12.123 -2.632 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.707 12.894 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.241 10.271 -1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.971 10.539 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.588 11.380 -3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.157 10.376 -3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.858 8.585 -2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.058 9.567 -3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.599 8.806 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.779 7.549 -4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.024 8.347 -6.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.154 9.850 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.880 9.563 -6.452 1.00 0.00 H new ATOM 901 N LEU A 55 -0.300 12.315 0.619 1.00 0.00 N ATOM 902 CA LEU A 55 0.097 12.486 2.010 1.00 0.00 C ATOM 903 C LEU A 55 -0.126 13.926 2.458 1.00 0.00 C ATOM 904 O LEU A 55 -0.710 14.180 3.511 1.00 0.00 O ATOM 905 CB LEU A 55 1.570 12.110 2.190 1.00 0.00 C ATOM 906 CG LEU A 55 1.891 10.611 2.116 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.948 10.251 3.142 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.645 9.764 2.335 1.00 0.00 C ATOM 0 H LEU A 55 0.452 12.008 0.002 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.518 11.828 2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.153 12.625 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.906 12.487 3.156 1.00 0.00 H new ATOM 0 HG LEU A 55 2.271 10.400 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.167 9.185 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.856 10.820 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.581 10.488 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.908 8.708 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.227 9.980 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.093 9.997 1.568 1.00 0.00 H new ATOM 920 N GLY A 56 0.345 14.866 1.644 1.00 0.00 N ATOM 921 CA GLY A 56 0.199 16.274 1.961 1.00 0.00 C ATOM 922 C GLY A 56 1.278 17.120 1.316 1.00 0.00 C ATOM 923 O GLY A 56 1.991 16.652 0.427 1.00 0.00 O ATOM 0 H GLY A 56 0.828 14.675 0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.779 16.620 1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.233 16.407 3.042 1.00 0.00 H new ATOM 927 N ARG A 57 1.409 18.362 1.766 1.00 0.00 N ATOM 928 CA ARG A 57 2.419 19.267 1.225 1.00 0.00 C ATOM 929 C ARG A 57 3.677 19.250 2.084 1.00 0.00 C ATOM 930 O ARG A 57 4.341 20.272 2.255 1.00 0.00 O ATOM 931 CB ARG A 57 1.867 20.691 1.137 1.00 0.00 C ATOM 932 CG ARG A 57 0.460 20.763 0.567 1.00 0.00 C ATOM 933 CD ARG A 57 -0.099 22.174 0.641 1.00 0.00 C ATOM 934 NE ARG A 57 -1.468 22.249 0.138 1.00 0.00 N ATOM 935 CZ ARG A 57 -1.788 22.211 -1.153 1.00 0.00 C ATOM 936 NH1 ARG A 57 -0.840 22.100 -2.075 1.00 0.00 N ATOM 937 NH2 ARG A 57 -3.059 22.286 -1.524 1.00 0.00 N ATOM 0 H ARG A 57 0.831 18.766 2.503 1.00 0.00 H new ATOM 0 HA ARG A 57 2.678 18.924 0.223 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.870 21.135 2.132 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.532 21.292 0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.469 20.428 -0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.191 20.083 1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.073 22.520 1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.536 22.846 0.064 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.224 22.336 0.817 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.139 22.043 -1.795 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.091 22.071 -3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.792 22.373 -0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.304 22.257 -2.514 1.00 0.00 H new ATOM 951 N ASP A 58 3.997 18.079 2.623 1.00 0.00 N ATOM 952 CA ASP A 58 5.172 17.914 3.466 1.00 0.00 C ATOM 953 C ASP A 58 6.116 16.868 2.869 1.00 0.00 C ATOM 954 O ASP A 58 6.211 16.731 1.649 1.00 0.00 O ATOM 955 CB ASP A 58 4.741 17.514 4.884 1.00 0.00 C ATOM 956 CG ASP A 58 3.569 18.333 5.390 1.00 0.00 C ATOM 957 OD1 ASP A 58 3.625 19.576 5.289 1.00 0.00 O ATOM 958 OD2 ASP A 58 2.595 17.731 5.888 1.00 0.00 O ATOM 0 H ASP A 58 3.454 17.226 2.489 1.00 0.00 H new ATOM 0 HA ASP A 58 5.709 18.861 3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.472 16.458 4.894 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.584 17.635 5.564 1.00 0.00 H new ATOM 963 N THR A 59 6.812 16.133 3.731 1.00 0.00 N ATOM 964 CA THR A 59 7.744 15.101 3.290 1.00 0.00 C ATOM 965 C THR A 59 7.341 13.736 3.841 1.00 0.00 C ATOM 966 O THR A 59 6.454 13.636 4.687 1.00 0.00 O ATOM 967 CB THR A 59 9.167 15.447 3.731 1.00 0.00 C ATOM 968 OG1 THR A 59 10.053 14.379 3.447 1.00 0.00 O ATOM 969 CG2 THR A 59 9.278 15.754 5.208 1.00 0.00 C ATOM 0 H THR A 59 6.747 16.234 4.744 1.00 0.00 H new ATOM 0 HA THR A 59 7.713 15.056 2.201 1.00 0.00 H new ATOM 0 HB THR A 59 9.434 16.342 3.169 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.958 14.620 3.735 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.313 15.991 5.454 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.643 16.606 5.451 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.958 14.886 5.785 1.00 0.00 H new ATOM 977 N GLN A 60 8.001 12.685 3.360 1.00 0.00 N ATOM 978 CA GLN A 60 7.710 11.334 3.812 1.00 0.00 C ATOM 979 C GLN A 60 8.157 11.155 5.254 1.00 0.00 C ATOM 980 O GLN A 60 9.332 10.923 5.537 1.00 0.00 O ATOM 981 CB GLN A 60 8.406 10.308 2.919 1.00 0.00 C ATOM 982 CG GLN A 60 9.906 10.528 2.798 1.00 0.00 C ATOM 983 CD GLN A 60 10.342 10.832 1.377 1.00 0.00 C ATOM 984 OE1 GLN A 60 9.947 11.843 0.795 1.00 0.00 O ATOM 985 NE2 GLN A 60 11.166 9.957 0.812 1.00 0.00 N ATOM 0 H GLN A 60 8.739 12.746 2.659 1.00 0.00 H new ATOM 0 HA GLN A 60 6.633 11.175 3.752 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.224 9.309 3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.960 10.342 1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.202 11.351 3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.429 9.639 3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.468 9.132 1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.497 10.110 -0.141 1.00 0.00 H new ATOM 994 N ILE A 61 7.202 11.282 6.155 1.00 0.00 N ATOM 995 CA ILE A 61 7.454 11.160 7.583 1.00 0.00 C ATOM 996 C ILE A 61 7.697 9.711 8.003 1.00 0.00 C ATOM 997 O ILE A 61 6.809 9.052 8.541 1.00 0.00 O ATOM 998 CB ILE A 61 6.266 11.732 8.373 1.00 0.00 C ATOM 999 CG1 ILE A 61 6.531 11.682 9.875 1.00 0.00 C ATOM 1000 CG2 ILE A 61 4.988 10.979 8.033 1.00 0.00 C ATOM 1001 CD1 ILE A 61 5.462 12.387 10.673 1.00 0.00 C ATOM 0 H ILE A 61 6.228 11.473 5.920 1.00 0.00 H new ATOM 0 HA ILE A 61 8.359 11.726 7.804 1.00 0.00 H new ATOM 0 HB ILE A 61 6.142 12.776 8.086 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.593 10.642 10.196 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.498 12.139 10.086 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.157 11.397 8.601 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.783 11.074 6.967 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.108 9.926 8.287 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.698 12.322 11.735 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.417 13.434 10.375 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.498 11.915 10.486 1.00 0.00 H new ATOM 1013 N GLY A 62 8.915 9.227 7.759 1.00 0.00 N ATOM 1014 CA GLY A 62 9.274 7.864 8.120 1.00 0.00 C ATOM 1015 C GLY A 62 8.190 6.861 7.783 1.00 0.00 C ATOM 1016 O GLY A 62 8.088 5.810 8.414 1.00 0.00 O ATOM 0 H GLY A 62 9.663 9.759 7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.193 7.586 7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.484 7.820 9.189 1.00 0.00 H new ATOM 1020 N LEU A 63 7.375 7.191 6.788 1.00 0.00 N ATOM 1021 CA LEU A 63 6.290 6.309 6.373 1.00 0.00 C ATOM 1022 C LEU A 63 6.827 4.936 5.973 1.00 0.00 C ATOM 1023 O LEU A 63 7.915 4.824 5.409 1.00 0.00 O ATOM 1024 CB LEU A 63 5.505 6.935 5.218 1.00 0.00 C ATOM 1025 CG LEU A 63 3.995 7.041 5.451 1.00 0.00 C ATOM 1026 CD1 LEU A 63 3.415 5.677 5.793 1.00 0.00 C ATOM 1027 CD2 LEU A 63 3.692 8.044 6.556 1.00 0.00 C ATOM 0 H LEU A 63 7.444 8.058 6.256 1.00 0.00 H new ATOM 0 HA LEU A 63 5.616 6.176 7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.900 7.933 5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.679 6.346 4.318 1.00 0.00 H new ATOM 0 HG LEU A 63 3.528 7.395 4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.341 5.769 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.600 4.986 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.888 5.297 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.614 8.105 6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.170 7.722 7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.075 9.024 6.272 1.00 0.00 H new ATOM 1039 N THR A 64 6.060 3.894 6.280 1.00 0.00 N ATOM 1040 CA THR A 64 6.466 2.530 5.964 1.00 0.00 C ATOM 1041 C THR A 64 5.599 1.932 4.861 1.00 0.00 C ATOM 1042 O THR A 64 4.466 2.362 4.641 1.00 0.00 O ATOM 1043 CB THR A 64 6.388 1.655 7.215 1.00 0.00 C ATOM 1044 OG1 THR A 64 5.275 2.020 8.013 1.00 0.00 O ATOM 1045 CG2 THR A 64 7.623 1.738 8.087 1.00 0.00 C ATOM 0 H THR A 64 5.156 3.969 6.746 1.00 0.00 H new ATOM 0 HA THR A 64 7.495 2.563 5.607 1.00 0.00 H new ATOM 0 HB THR A 64 6.294 0.634 6.845 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.241 1.448 8.808 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.499 1.092 8.956 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.494 1.415 7.516 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.767 2.767 8.417 1.00 0.00 H new ATOM 1053 N MET A 65 6.142 0.932 4.176 1.00 0.00 N ATOM 1054 CA MET A 65 5.429 0.258 3.099 1.00 0.00 C ATOM 1055 C MET A 65 4.946 -1.116 3.551 1.00 0.00 C ATOM 1056 O MET A 65 5.544 -1.731 4.435 1.00 0.00 O ATOM 1057 CB MET A 65 6.333 0.119 1.871 1.00 0.00 C ATOM 1058 CG MET A 65 7.057 1.406 1.502 1.00 0.00 C ATOM 1059 SD MET A 65 8.850 1.213 1.472 1.00 0.00 S ATOM 1060 CE MET A 65 9.368 2.911 1.235 1.00 0.00 C ATOM 0 H MET A 65 7.079 0.569 4.349 1.00 0.00 H new ATOM 0 HA MET A 65 4.560 0.860 2.833 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.070 -0.662 2.058 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.732 -0.207 1.022 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.716 1.742 0.523 1.00 0.00 H new ATOM 0 HG3 MET A 65 6.792 2.185 2.217 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.456 2.957 1.196 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.955 3.290 0.301 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.009 3.520 2.065 1.00 0.00 H new ATOM 1070 N PRO A 66 3.850 -1.620 2.958 1.00 0.00 N ATOM 1071 CA PRO A 66 3.102 -0.934 1.906 1.00 0.00 C ATOM 1072 C PRO A 66 2.119 0.093 2.457 1.00 0.00 C ATOM 1073 O PRO A 66 1.501 -0.118 3.500 1.00 0.00 O ATOM 1074 CB PRO A 66 2.336 -2.071 1.207 1.00 0.00 C ATOM 1075 CG PRO A 66 2.729 -3.330 1.915 1.00 0.00 C ATOM 1076 CD PRO A 66 3.249 -2.916 3.258 1.00 0.00 C ATOM 0 HA PRO A 66 3.765 -0.372 1.247 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.260 -1.910 1.266 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.593 -2.122 0.149 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.875 -4.000 2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.491 -3.870 1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.453 -2.836 3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.979 -3.624 3.650 1.00 0.00 H new ATOM 1084 N GLN A 67 1.962 1.196 1.732 1.00 0.00 N ATOM 1085 CA GLN A 67 1.037 2.247 2.129 1.00 0.00 C ATOM 1086 C GLN A 67 -0.269 2.103 1.360 1.00 0.00 C ATOM 1087 O GLN A 67 -0.262 1.916 0.146 1.00 0.00 O ATOM 1088 CB GLN A 67 1.647 3.626 1.875 1.00 0.00 C ATOM 1089 CG GLN A 67 2.617 4.068 2.957 1.00 0.00 C ATOM 1090 CD GLN A 67 4.049 4.140 2.462 1.00 0.00 C ATOM 1091 OE1 GLN A 67 4.713 3.115 2.302 1.00 0.00 O ATOM 1092 NE2 GLN A 67 4.530 5.352 2.218 1.00 0.00 N ATOM 0 H GLN A 67 2.465 1.384 0.865 1.00 0.00 H new ATOM 0 HA GLN A 67 0.837 2.151 3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.165 3.614 0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.845 4.360 1.795 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.316 5.046 3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.561 3.374 3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.943 6.173 2.365 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.487 5.463 1.883 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.390 2.167 2.064 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.682 2.020 1.414 1.00 0.00 C ATOM 1103 C VAL A 68 -3.398 3.354 1.261 1.00 0.00 C ATOM 1104 O VAL A 68 -3.134 4.307 1.995 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.596 1.034 2.169 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.743 0.588 1.273 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.805 -0.167 2.669 1.00 0.00 C ATOM 0 H VAL A 68 -1.431 2.318 3.072 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.475 1.619 0.422 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.011 1.546 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.381 -0.108 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.328 1.457 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.342 0.095 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.472 -0.847 3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.356 -0.685 1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.020 0.171 3.346 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.312 3.405 0.299 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.080 4.612 0.030 1.00 0.00 C ATOM 1119 C PHE A 69 -6.509 4.263 -0.370 1.00 0.00 C ATOM 1120 O PHE A 69 -6.741 3.313 -1.116 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.410 5.421 -1.079 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.246 6.230 -0.596 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.433 7.521 -0.135 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -1.967 5.698 -0.595 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.365 8.269 0.319 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -0.895 6.442 -0.143 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.094 7.729 0.315 1.00 0.00 C ATOM 0 H PHE A 69 -4.539 2.619 -0.310 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.113 5.211 0.940 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.073 4.742 -1.862 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.146 6.087 -1.529 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.425 7.948 -0.130 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.807 4.691 -0.951 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.523 9.276 0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.098 6.017 -0.148 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.257 8.312 0.670 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.463 5.036 0.137 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.873 4.807 -0.161 1.00 0.00 C ATOM 1139 C ALA A 70 -9.122 4.746 -1.668 1.00 0.00 C ATOM 1140 O ALA A 70 -8.392 5.354 -2.451 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.726 5.897 0.471 1.00 0.00 C ATOM 0 H ALA A 70 -7.286 5.827 0.756 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.154 3.843 0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.776 5.716 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.584 5.890 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.430 6.867 0.073 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.167 4.014 -2.094 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.519 3.879 -3.512 1.00 0.00 C ATOM 1149 C PRO A 71 -11.074 5.174 -4.098 1.00 0.00 C ATOM 1150 O PRO A 71 -11.260 5.288 -5.309 1.00 0.00 O ATOM 1151 CB PRO A 71 -11.587 2.775 -3.528 1.00 0.00 C ATOM 1152 CG PRO A 71 -11.619 2.207 -2.146 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.097 3.274 -1.233 1.00 0.00 C ATOM 0 HA PRO A 71 -9.647 3.643 -4.121 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.561 3.179 -3.806 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.341 2.006 -4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.633 1.921 -1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.006 1.308 -2.082 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.897 3.913 -0.859 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.594 2.851 -0.363 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.332 6.152 -3.231 1.00 0.00 N ATOM 1162 CA ASP A 72 -11.860 7.439 -3.664 1.00 0.00 C ATOM 1163 C ASP A 72 -10.794 8.531 -3.570 1.00 0.00 C ATOM 1164 O ASP A 72 -10.926 9.592 -4.179 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.076 7.823 -2.822 1.00 0.00 C ATOM 1166 CG ASP A 72 -14.338 7.951 -3.653 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -14.604 9.061 -4.160 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -15.058 6.941 -3.797 1.00 0.00 O ATOM 0 H ASP A 72 -11.183 6.075 -2.225 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.163 7.345 -4.707 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.229 7.072 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.880 8.768 -2.316 1.00 0.00 H new ATOM 1173 N GLY A 73 -9.736 8.266 -2.805 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.672 9.240 -2.655 1.00 0.00 C ATOM 1175 C GLY A 73 -8.463 9.660 -1.212 1.00 0.00 C ATOM 1176 O GLY A 73 -9.066 10.627 -0.747 1.00 0.00 O ATOM 0 H GLY A 73 -9.599 7.397 -2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.744 8.822 -3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.903 10.120 -3.256 1.00 0.00 H new ATOM 1180 N SER A 74 -7.605 8.932 -0.502 1.00 0.00 N ATOM 1181 CA SER A 74 -7.316 9.235 0.896 1.00 0.00 C ATOM 1182 C SER A 74 -6.303 8.245 1.465 1.00 0.00 C ATOM 1183 O SER A 74 -6.209 7.108 1.007 1.00 0.00 O ATOM 1184 CB SER A 74 -8.600 9.200 1.727 1.00 0.00 C ATOM 1185 OG SER A 74 -8.321 9.377 3.105 1.00 0.00 O ATOM 0 H SER A 74 -7.098 8.128 -0.872 1.00 0.00 H new ATOM 0 HA SER A 74 -6.890 10.237 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.278 9.982 1.387 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.109 8.248 1.575 1.00 0.00 H new ATOM 0 HG SER A 74 -9.158 9.352 3.614 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.546 8.685 2.465 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.540 7.834 3.093 1.00 0.00 C ATOM 1193 C HIS A 75 -5.136 7.064 4.267 1.00 0.00 C ATOM 1194 O HIS A 75 -5.510 7.652 5.282 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.353 8.674 3.569 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.113 7.871 3.814 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.643 6.770 3.174 1.00 0.00 N flip ATOM 1198 CD2 HIS A 75 -1.198 8.154 4.804 1.00 0.00 C flip ATOM 1199 CE1 HIS A 75 -0.445 6.376 3.764 1.00 0.00 C flip ATOM 1200 NE2 HIS A 75 -0.222 7.239 4.736 1.00 0.00 N flip ATOM 0 H HIS A 75 -5.609 9.624 2.858 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.192 7.117 2.349 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.139 9.441 2.824 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.629 9.191 4.488 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -2.095 6.305 2.387 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.257 8.969 5.510 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.174 5.537 3.483 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.218 5.745 4.125 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.768 4.896 5.177 1.00 0.00 C ATOM 1210 C ILE A 76 -4.665 4.385 6.099 1.00 0.00 C ATOM 1211 O ILE A 76 -4.780 4.463 7.322 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.536 3.694 4.589 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.636 4.177 3.643 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -7.125 2.837 5.701 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.987 3.174 2.565 1.00 0.00 C ATOM 0 H ILE A 76 -4.911 5.241 3.293 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.462 5.510 5.751 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.835 3.081 4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.530 4.403 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.318 5.108 3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.663 1.995 5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.322 2.465 6.338 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.813 3.437 6.297 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.774 3.582 1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.104 2.966 1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.336 2.251 3.027 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.600 3.860 5.504 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.495 3.347 6.291 1.00 0.00 C ATOM 1229 C GLY A 77 -1.940 2.049 5.743 1.00 0.00 C ATOM 1230 O GLY A 77 -2.065 1.764 4.552 1.00 0.00 O ATOM 0 H GLY A 77 -3.482 3.781 4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.700 4.092 6.323 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.827 3.191 7.317 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.316 1.267 6.615 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.739 0.002 6.202 1.00 0.00 C ATOM 1236 C GLY A 78 -1.666 -1.173 6.454 1.00 0.00 C ATOM 1237 O GLY A 78 -2.866 -1.097 6.183 1.00 0.00 O ATOM 0 H GLY A 78 -1.199 1.487 7.604 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.496 0.047 5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.197 -0.158 6.737 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.106 -2.266 6.967 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.888 -3.465 7.250 1.00 0.00 C ATOM 1243 C PHE A 79 -2.804 -3.256 8.452 1.00 0.00 C ATOM 1244 O PHE A 79 -4.023 -3.168 8.308 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.960 -4.656 7.500 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.688 -5.959 7.667 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.708 -6.315 6.797 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.355 -6.829 8.694 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.380 -7.513 6.949 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.025 -8.028 8.851 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.039 -8.371 7.977 1.00 0.00 C ATOM 0 H PHE A 79 -0.115 -2.345 7.195 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.511 -3.672 6.380 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.262 -4.743 6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.367 -4.463 8.394 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.980 -5.649 5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.563 -6.567 9.380 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.172 -7.779 6.264 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.756 -8.696 9.656 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.564 -9.307 8.097 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.210 -3.175 9.640 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.978 -2.974 10.864 1.00 0.00 C ATOM 1263 C ASP A 80 -3.767 -1.672 10.798 1.00 0.00 C ATOM 1264 O ASP A 80 -4.966 -1.641 11.085 1.00 0.00 O ATOM 1265 CB ASP A 80 -2.047 -2.959 12.079 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.809 -2.972 13.389 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.476 -1.961 13.699 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.740 -3.992 14.106 1.00 0.00 O ATOM 0 H ASP A 80 -1.202 -3.245 9.780 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.680 -3.801 10.965 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.386 -3.824 12.038 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.415 -2.072 12.038 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.085 -0.596 10.415 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.719 0.712 10.306 1.00 0.00 C ATOM 1275 C GLN A 81 -4.987 0.625 9.465 1.00 0.00 C ATOM 1276 O GLN A 81 -5.996 1.257 9.776 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.753 1.724 9.688 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.997 3.154 10.141 1.00 0.00 C ATOM 1279 CD GLN A 81 -2.624 3.376 11.594 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -1.449 3.346 11.957 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -3.627 3.601 12.434 1.00 0.00 N ATOM 0 H GLN A 81 -2.094 -0.605 10.175 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.986 1.045 11.309 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.732 1.441 9.942 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.836 1.677 8.602 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.420 3.834 9.514 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.049 3.403 9.997 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.587 3.617 12.089 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.438 3.758 13.424 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.929 -0.168 8.398 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.077 -0.338 7.522 1.00 0.00 C ATOM 1292 C LEU A 82 -7.093 -1.300 8.121 1.00 0.00 C ATOM 1293 O LEU A 82 -8.296 -1.122 7.942 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.654 -0.821 6.146 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.822 -0.990 5.186 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.476 -0.478 3.805 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.246 -2.438 5.143 1.00 0.00 C ATOM 0 H LEU A 82 -4.103 -0.699 8.123 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.547 0.640 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.943 -0.112 5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.134 -1.773 6.246 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.659 -0.394 5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.331 -0.613 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.224 0.581 3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.623 -1.033 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.083 -2.552 4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.411 -3.052 4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.551 -2.758 6.140 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.617 -2.308 8.849 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.520 -3.265 9.484 1.00 0.00 C ATOM 1311 C ARG A 83 -8.584 -2.508 10.267 1.00 0.00 C ATOM 1312 O ARG A 83 -9.720 -2.963 10.397 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.745 -4.205 10.412 1.00 0.00 C ATOM 1314 CG ARG A 83 -6.389 -5.536 9.771 1.00 0.00 C ATOM 1315 CD ARG A 83 -5.715 -6.469 10.763 1.00 0.00 C ATOM 1316 NE ARG A 83 -5.800 -7.867 10.347 1.00 0.00 N ATOM 1317 CZ ARG A 83 -5.601 -8.897 11.165 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -5.308 -8.692 12.444 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -5.697 -10.137 10.705 1.00 0.00 N ATOM 0 H ARG A 83 -5.625 -2.482 9.012 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.998 -3.870 8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.829 -3.710 10.734 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.339 -4.390 11.307 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.292 -6.007 9.383 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.727 -5.367 8.922 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.668 -6.187 10.872 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.180 -6.354 11.742 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.025 -8.065 9.372 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.234 -7.741 12.804 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.157 -9.486 13.066 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.923 -10.301 9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.544 -10.927 11.332 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.207 -1.330 10.760 1.00 0.00 N ATOM 1334 CA GLU A 84 -9.133 -0.485 11.498 1.00 0.00 C ATOM 1335 C GLU A 84 -10.204 0.033 10.549 1.00 0.00 C ATOM 1336 O GLU A 84 -11.373 0.152 10.915 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.393 0.684 12.153 1.00 0.00 C ATOM 1338 CG GLU A 84 -8.999 1.122 13.475 1.00 0.00 C ATOM 1339 CD GLU A 84 -8.750 0.125 14.590 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -8.468 -1.052 14.282 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -8.838 0.521 15.771 1.00 0.00 O ATOM 0 H GLU A 84 -7.269 -0.943 10.660 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.601 -1.073 12.288 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.353 0.400 12.316 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.388 1.531 11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.584 2.089 13.758 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.073 1.261 13.350 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.796 0.307 9.311 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.716 0.775 8.288 1.00 0.00 C ATOM 1350 C TYR A 85 -11.758 -0.303 8.018 1.00 0.00 C ATOM 1351 O TYR A 85 -12.921 -0.011 7.743 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.941 1.098 7.008 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.740 1.851 5.969 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.738 1.220 5.239 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.487 3.191 5.713 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.464 1.904 4.284 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -11.207 3.883 4.759 1.00 0.00 C ATOM 1358 CZ TYR A 85 -12.194 3.236 4.047 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.914 3.922 3.096 1.00 0.00 O ATOM 0 H TYR A 85 -8.831 0.211 8.996 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.219 1.679 8.630 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.061 1.686 7.269 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.583 0.167 6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.950 0.177 5.421 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.714 3.701 6.269 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.239 1.399 3.726 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.998 4.926 4.572 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.600 4.849 3.054 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.320 -1.556 8.122 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.187 -2.710 7.905 1.00 0.00 C ATOM 1371 C PHE A 86 -12.856 -3.154 9.205 1.00 0.00 C ATOM 1372 O PHE A 86 -13.873 -3.848 9.181 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.368 -3.863 7.311 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.166 -3.745 5.826 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.216 -3.383 4.996 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -9.924 -3.976 5.264 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.027 -3.252 3.635 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.731 -3.852 3.902 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.782 -3.487 3.088 1.00 0.00 C ATOM 0 H PHE A 86 -10.358 -1.798 8.358 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.974 -2.423 7.207 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.395 -3.899 7.801 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.870 -4.806 7.529 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.193 -3.201 5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.095 -4.257 5.897 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.852 -2.966 2.999 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.757 -4.041 3.475 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.631 -3.385 2.023 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.286 -2.748 10.336 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.833 -3.106 11.639 1.00 0.00 C ATOM 1391 C LYS A 87 -12.907 -4.621 11.804 1.00 0.00 C ATOM 1392 O LYS A 87 -13.946 -5.206 11.434 1.00 0.00 O ATOM 1393 CB LYS A 87 -14.225 -2.494 11.817 1.00 0.00 C ATOM 1394 CG LYS A 87 -14.203 -1.098 12.421 1.00 0.00 C ATOM 1395 CD LYS A 87 -15.356 -0.891 13.389 1.00 0.00 C ATOM 1396 CE LYS A 87 -16.700 -0.987 12.685 1.00 0.00 C ATOM 1397 NZ LYS A 87 -16.976 0.215 11.850 1.00 0.00 N ATOM 1398 OXT LYS A 87 -11.923 -5.209 12.303 1.00 0.00 O ATOM 0 H LYS A 87 -11.446 -2.171 10.375 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.167 -2.708 12.405 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.722 -2.454 10.848 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.821 -3.147 12.454 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.258 -0.940 12.940 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.257 -0.355 11.625 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.305 -1.638 14.182 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.262 0.085 13.864 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.718 -1.878 12.057 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.491 -1.104 13.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.923 0.134 11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.934 1.068 12.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.264 0.284 11.095 1.00 0.00 H new TER 1412 LYS A 87