USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=20 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 67 GLN : amide:sc= -9.05! C(o=-14!,f=-15!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -4.69! C(o=-14!,f=-21!) USER MOD Set 2.1: A 59 THR OG1 : rot 180:sc= -0.323 USER MOD Set 2.2: A 60 GLN : amide:sc= -0.566 K(o=-0.89,f=-5.8!) USER MOD Set 3.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 37 MET CE :methyl 151:sc= -1.07 (180deg=-3.66!) USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00182) USER MOD Single : A 1 MET N :NH3+ -99:sc= -3.41! (180deg=-6.43!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -130:sc= -2.38 USER MOD Single : A 9 SER OG : rot 180:sc= -0.332 USER MOD Single : A 10 ASN : amide:sc= -0.0116 K(o=-0.012,f=-0.73) USER MOD Single : A 12 HIS : no HD1:sc= -1.22 K(o=-1.2,f=0.21) USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0373) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.307 X(o=0.31,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.0291 (180deg=-0.447) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= 0.0481 (180deg=0.0412) USER MOD Single : A 29 GLN : amide:sc= -1.95! K(o=-1.9!,f=-0.86) USER MOD Single : A 35 ASN : amide:sc= -0.0431 K(o=-0.043,f=-5.7!) USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0647) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -140:sc= -0.365 (180deg=-1.58!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -120:sc= -2.38 (180deg=-7.38!) USER MOD Single : A 74 SER OG : rot 52:sc= 1.07 USER MOD Single : A 81 GLN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.152 1.319 -4.753 1.00 0.00 N ATOM 2 CA MET A 1 -11.016 0.360 -4.819 1.00 0.00 C ATOM 3 C MET A 1 -9.803 0.872 -4.054 1.00 0.00 C ATOM 4 O MET A 1 -9.282 1.947 -4.350 1.00 0.00 O ATOM 5 CB MET A 1 -10.673 0.147 -6.292 1.00 0.00 C ATOM 6 CG MET A 1 -9.433 -0.684 -6.554 1.00 0.00 C ATOM 7 SD MET A 1 -8.791 -0.445 -8.222 1.00 0.00 S ATOM 8 CE MET A 1 -10.079 -1.221 -9.195 1.00 0.00 C ATOM 0 H1 MET A 1 -12.824 1.012 -4.021 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.793 2.266 -4.518 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.634 1.350 -5.674 1.00 0.00 H new ATOM 0 HA MET A 1 -11.305 -0.581 -4.352 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.522 -0.332 -6.780 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.543 1.122 -6.763 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.662 -0.422 -5.829 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.666 -1.738 -6.404 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.817 -1.170 -10.252 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.182 -2.264 -8.897 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.023 -0.702 -9.030 1.00 0.00 H new ATOM 20 N PHE A 2 -9.351 0.097 -3.073 1.00 0.00 N ATOM 21 CA PHE A 2 -8.197 0.487 -2.277 1.00 0.00 C ATOM 22 C PHE A 2 -6.983 0.672 -3.172 1.00 0.00 C ATOM 23 O PHE A 2 -6.954 0.191 -4.304 1.00 0.00 O ATOM 24 CB PHE A 2 -7.901 -0.549 -1.191 1.00 0.00 C ATOM 25 CG PHE A 2 -8.911 -0.565 -0.081 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.049 -1.348 -0.173 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.721 0.201 1.054 1.00 0.00 C ATOM 28 CE1 PHE A 2 -10.979 -1.367 0.847 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.646 0.188 2.079 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.777 -0.596 1.976 1.00 0.00 C ATOM 0 H PHE A 2 -9.764 -0.799 -2.813 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.426 1.433 -1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.859 -1.538 -1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.915 -0.350 -0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.211 -1.952 -1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.838 0.817 1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.862 -1.983 0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.485 0.791 2.960 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.503 -0.607 2.776 1.00 0.00 H new ATOM 40 N LYS A 3 -5.989 1.380 -2.665 1.00 0.00 N ATOM 41 CA LYS A 3 -4.781 1.639 -3.427 1.00 0.00 C ATOM 42 C LYS A 3 -3.548 1.483 -2.554 1.00 0.00 C ATOM 43 O LYS A 3 -3.402 2.175 -1.551 1.00 0.00 O ATOM 44 CB LYS A 3 -4.829 3.052 -4.002 1.00 0.00 C ATOM 45 CG LYS A 3 -5.513 3.137 -5.356 1.00 0.00 C ATOM 46 CD LYS A 3 -7.019 3.306 -5.205 1.00 0.00 C ATOM 47 CE LYS A 3 -7.518 4.544 -5.933 1.00 0.00 C ATOM 48 NZ LYS A 3 -7.896 4.245 -7.342 1.00 0.00 N ATOM 0 H LYS A 3 -5.995 1.786 -1.729 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.723 0.915 -4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.350 3.703 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.812 3.432 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.105 3.976 -5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.302 2.235 -5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.526 2.424 -5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.274 3.377 -4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.379 4.953 -5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.743 5.310 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.231 5.115 -7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.068 3.878 -7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.654 3.533 -7.354 1.00 0.00 H new ATOM 62 N VAL A 4 -2.658 0.575 -2.932 1.00 0.00 N ATOM 63 CA VAL A 4 -1.442 0.364 -2.158 1.00 0.00 C ATOM 64 C VAL A 4 -0.206 0.840 -2.910 1.00 0.00 C ATOM 65 O VAL A 4 -0.155 0.818 -4.139 1.00 0.00 O ATOM 66 CB VAL A 4 -1.240 -1.112 -1.758 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.123 -1.305 -1.107 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.331 -1.567 -0.811 1.00 0.00 C ATOM 0 H VAL A 4 -2.752 -0.019 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.570 0.955 -1.251 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.290 -1.717 -2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.249 -2.352 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.906 -1.018 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.191 -0.683 -0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.168 -2.611 -0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.310 -0.953 0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.301 -1.465 -1.298 1.00 0.00 H new ATOM 78 N TYR A 5 0.793 1.249 -2.142 1.00 0.00 N ATOM 79 CA TYR A 5 2.057 1.715 -2.685 1.00 0.00 C ATOM 80 C TYR A 5 3.200 1.066 -1.918 1.00 0.00 C ATOM 81 O TYR A 5 3.503 1.464 -0.796 1.00 0.00 O ATOM 82 CB TYR A 5 2.162 3.235 -2.575 1.00 0.00 C ATOM 83 CG TYR A 5 1.351 3.989 -3.603 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.029 4.100 -3.482 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.967 4.605 -4.684 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.770 4.803 -4.415 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.234 5.310 -5.617 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.133 5.407 -5.478 1.00 0.00 C ATOM 89 OH TYR A 5 -0.866 6.107 -6.408 1.00 0.00 O ATOM 0 H TYR A 5 0.748 1.267 -1.123 1.00 0.00 H new ATOM 0 HA TYR A 5 2.113 1.440 -3.738 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.838 3.539 -1.580 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.209 3.523 -2.672 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.530 3.631 -2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.039 4.531 -4.797 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.842 4.878 -4.311 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.730 5.783 -6.452 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.620 5.810 -7.309 1.00 0.00 H new ATOM 99 N GLY A 6 3.820 0.056 -2.513 1.00 0.00 N ATOM 100 CA GLY A 6 4.908 -0.627 -1.846 1.00 0.00 C ATOM 101 C GLY A 6 5.697 -1.516 -2.784 1.00 0.00 C ATOM 102 O GLY A 6 6.009 -1.125 -3.909 1.00 0.00 O ATOM 0 H GLY A 6 3.590 -0.300 -3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.577 0.110 -1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.509 -1.229 -1.030 1.00 0.00 H new ATOM 106 N TYR A 7 6.022 -2.713 -2.316 1.00 0.00 N ATOM 107 CA TYR A 7 6.779 -3.666 -3.103 1.00 0.00 C ATOM 108 C TYR A 7 5.886 -4.805 -3.584 1.00 0.00 C ATOM 109 O TYR A 7 4.829 -5.066 -3.007 1.00 0.00 O ATOM 110 CB TYR A 7 7.929 -4.210 -2.265 1.00 0.00 C ATOM 111 CG TYR A 7 8.862 -3.132 -1.765 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.553 -2.317 -2.653 1.00 0.00 C ATOM 113 CD2 TYR A 7 9.047 -2.925 -0.405 1.00 0.00 C ATOM 114 CE1 TYR A 7 10.403 -1.327 -2.198 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.895 -1.938 0.058 1.00 0.00 C ATOM 116 CZ TYR A 7 10.570 -1.143 -0.842 1.00 0.00 C ATOM 117 OH TYR A 7 11.414 -0.158 -0.383 1.00 0.00 O ATOM 0 H TYR A 7 5.769 -3.046 -1.386 1.00 0.00 H new ATOM 0 HA TYR A 7 7.178 -3.161 -3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.523 -4.755 -1.412 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.497 -4.926 -2.860 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.424 -2.459 -3.716 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.519 -3.546 0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.933 -0.701 -2.901 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.028 -1.790 1.120 1.00 0.00 H new ATOM 0 HH TYR A 7 11.417 -0.161 0.597 1.00 0.00 H new ATOM 127 N ASP A 8 6.309 -5.477 -4.649 1.00 0.00 N ATOM 128 CA ASP A 8 5.538 -6.580 -5.206 1.00 0.00 C ATOM 129 C ASP A 8 6.084 -7.922 -4.733 1.00 0.00 C ATOM 130 O ASP A 8 5.458 -8.604 -3.921 1.00 0.00 O ATOM 131 CB ASP A 8 5.546 -6.514 -6.735 1.00 0.00 C ATOM 132 CG ASP A 8 4.639 -7.554 -7.365 1.00 0.00 C ATOM 133 OD1 ASP A 8 3.423 -7.527 -7.086 1.00 0.00 O ATOM 134 OD2 ASP A 8 5.147 -8.393 -8.138 1.00 0.00 O ATOM 0 H ASP A 8 7.179 -5.277 -5.142 1.00 0.00 H new ATOM 0 HA ASP A 8 4.511 -6.488 -4.854 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.231 -5.521 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.564 -6.657 -7.097 1.00 0.00 H new ATOM 139 N SER A 9 7.251 -8.298 -5.246 1.00 0.00 N ATOM 140 CA SER A 9 7.881 -9.561 -4.873 1.00 0.00 C ATOM 141 C SER A 9 9.066 -9.870 -5.782 1.00 0.00 C ATOM 142 O SER A 9 10.046 -10.481 -5.357 1.00 0.00 O ATOM 143 CB SER A 9 6.869 -10.710 -4.934 1.00 0.00 C ATOM 144 OG SER A 9 5.913 -10.494 -5.958 1.00 0.00 O ATOM 0 H SER A 9 7.780 -7.746 -5.921 1.00 0.00 H new ATOM 0 HA SER A 9 8.243 -9.461 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.391 -11.650 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.363 -10.804 -3.973 1.00 0.00 H new ATOM 0 HG SER A 9 5.280 -11.242 -5.977 1.00 0.00 H new ATOM 150 N ASN A 10 8.969 -9.440 -7.038 1.00 0.00 N ATOM 151 CA ASN A 10 10.031 -9.671 -8.010 1.00 0.00 C ATOM 152 C ASN A 10 11.213 -8.748 -7.745 1.00 0.00 C ATOM 153 O ASN A 10 12.370 -9.149 -7.883 1.00 0.00 O ATOM 154 CB ASN A 10 9.510 -9.457 -9.432 1.00 0.00 C ATOM 155 CG ASN A 10 8.265 -10.273 -9.720 1.00 0.00 C ATOM 156 OD1 ASN A 10 8.000 -11.278 -9.061 1.00 0.00 O ATOM 157 ND2 ASN A 10 7.493 -9.844 -10.713 1.00 0.00 N ATOM 0 H ASN A 10 8.165 -8.930 -7.405 1.00 0.00 H new ATOM 0 HA ASN A 10 10.365 -10.703 -7.908 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.291 -8.400 -9.580 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.289 -9.724 -10.146 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.643 -10.353 -10.955 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.751 -9.005 -11.233 1.00 0.00 H new ATOM 164 N ILE A 11 10.917 -7.513 -7.361 1.00 0.00 N ATOM 165 CA ILE A 11 11.957 -6.533 -7.070 1.00 0.00 C ATOM 166 C ILE A 11 12.373 -6.603 -5.608 1.00 0.00 C ATOM 167 O ILE A 11 13.561 -6.667 -5.293 1.00 0.00 O ATOM 168 CB ILE A 11 11.488 -5.101 -7.386 1.00 0.00 C ATOM 169 CG1 ILE A 11 10.976 -5.013 -8.825 1.00 0.00 C ATOM 170 CG2 ILE A 11 12.617 -4.105 -7.158 1.00 0.00 C ATOM 171 CD1 ILE A 11 12.011 -5.402 -9.861 1.00 0.00 C ATOM 0 H ILE A 11 9.965 -7.165 -7.244 1.00 0.00 H new ATOM 0 HA ILE A 11 12.808 -6.776 -7.706 1.00 0.00 H new ATOM 0 HB ILE A 11 10.669 -4.850 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.105 -5.660 -8.932 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.642 -3.994 -9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.266 -3.099 -7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.937 -4.150 -6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.457 -4.352 -7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.578 -5.316 -10.858 1.00 0.00 H new ATOM 0 HD12 ILE A 11 12.873 -4.739 -9.781 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.328 -6.431 -9.691 1.00 0.00 H new ATOM 183 N HIS A 12 11.390 -6.589 -4.718 1.00 0.00 N ATOM 184 CA HIS A 12 11.662 -6.647 -3.293 1.00 0.00 C ATOM 185 C HIS A 12 10.646 -7.546 -2.594 1.00 0.00 C ATOM 186 O HIS A 12 9.506 -7.677 -3.042 1.00 0.00 O ATOM 187 CB HIS A 12 11.648 -5.239 -2.697 1.00 0.00 C ATOM 188 CG HIS A 12 12.399 -5.114 -1.407 1.00 0.00 C ATOM 189 ND1 HIS A 12 13.717 -5.479 -1.249 1.00 0.00 N ATOM 190 CD2 HIS A 12 11.995 -4.639 -0.203 1.00 0.00 C ATOM 191 CE1 HIS A 12 14.065 -5.221 0.019 1.00 0.00 C ATOM 192 NE2 HIS A 12 13.056 -4.710 0.695 1.00 0.00 N ATOM 0 H HIS A 12 10.400 -6.538 -4.959 1.00 0.00 H new ATOM 0 HA HIS A 12 12.653 -7.074 -3.139 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.074 -4.545 -3.422 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.614 -4.935 -2.534 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.007 -4.265 0.023 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.045 -5.408 0.433 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.053 -4.425 1.674 1.00 0.00 H new ATOM 200 N LYS A 13 11.074 -8.180 -1.510 1.00 0.00 N ATOM 201 CA LYS A 13 10.208 -9.091 -0.763 1.00 0.00 C ATOM 202 C LYS A 13 9.250 -8.341 0.163 1.00 0.00 C ATOM 203 O LYS A 13 9.499 -7.198 0.545 1.00 0.00 O ATOM 204 CB LYS A 13 11.050 -10.090 0.037 1.00 0.00 C ATOM 205 CG LYS A 13 11.733 -9.494 1.261 1.00 0.00 C ATOM 206 CD LYS A 13 11.382 -10.254 2.531 1.00 0.00 C ATOM 207 CE LYS A 13 11.778 -11.721 2.439 1.00 0.00 C ATOM 208 NZ LYS A 13 13.255 -11.896 2.359 1.00 0.00 N ATOM 0 H LYS A 13 12.014 -8.082 -1.127 1.00 0.00 H new ATOM 0 HA LYS A 13 9.602 -9.634 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.410 -10.913 0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.810 -10.514 -0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.813 -9.507 1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.438 -8.450 1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.886 -9.794 3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.311 -10.178 2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.396 -12.255 3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.312 -12.168 1.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.486 -12.910 2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.606 -11.482 1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.705 -11.419 3.166 1.00 0.00 H new ATOM 222 N CYS A 14 8.150 -9.005 0.515 1.00 0.00 N ATOM 223 CA CYS A 14 7.140 -8.423 1.395 1.00 0.00 C ATOM 224 C CYS A 14 6.096 -9.469 1.775 1.00 0.00 C ATOM 225 O CYS A 14 5.121 -9.677 1.053 1.00 0.00 O ATOM 226 CB CYS A 14 6.458 -7.237 0.714 1.00 0.00 C ATOM 227 SG CYS A 14 5.268 -6.354 1.776 1.00 0.00 S ATOM 0 H CYS A 14 7.936 -9.952 0.202 1.00 0.00 H new ATOM 0 HA CYS A 14 7.637 -8.074 2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.222 -6.535 0.380 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.940 -7.592 -0.177 1.00 0.00 H new ATOM 232 N VAL A 15 6.305 -10.129 2.909 1.00 0.00 N ATOM 233 CA VAL A 15 5.377 -11.154 3.369 1.00 0.00 C ATOM 234 C VAL A 15 4.073 -10.534 3.849 1.00 0.00 C ATOM 235 O VAL A 15 2.991 -11.070 3.604 1.00 0.00 O ATOM 236 CB VAL A 15 5.976 -12.000 4.508 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.151 -12.825 4.006 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.393 -11.112 5.672 1.00 0.00 C ATOM 0 H VAL A 15 7.104 -9.973 3.523 1.00 0.00 H new ATOM 0 HA VAL A 15 5.182 -11.803 2.515 1.00 0.00 H new ATOM 0 HB VAL A 15 5.209 -12.688 4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.559 -13.415 4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.815 -13.492 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.923 -12.160 3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.814 -11.728 6.467 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.141 -10.396 5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.523 -10.576 6.051 1.00 0.00 H new ATOM 248 N TYR A 16 4.182 -9.402 4.535 1.00 0.00 N ATOM 249 CA TYR A 16 3.011 -8.706 5.052 1.00 0.00 C ATOM 250 C TYR A 16 2.086 -8.280 3.916 1.00 0.00 C ATOM 251 O TYR A 16 0.887 -8.089 4.119 1.00 0.00 O ATOM 252 CB TYR A 16 3.435 -7.488 5.875 1.00 0.00 C ATOM 253 CG TYR A 16 3.234 -7.673 7.362 1.00 0.00 C ATOM 254 CD1 TYR A 16 3.895 -8.682 8.049 1.00 0.00 C ATOM 255 CD2 TYR A 16 2.377 -6.843 8.076 1.00 0.00 C ATOM 256 CE1 TYR A 16 3.709 -8.861 9.406 1.00 0.00 C ATOM 257 CE2 TYR A 16 2.187 -7.017 9.434 1.00 0.00 C ATOM 258 CZ TYR A 16 2.855 -8.026 10.093 1.00 0.00 C ATOM 259 OH TYR A 16 2.666 -8.202 11.446 1.00 0.00 O ATOM 0 H TYR A 16 5.070 -8.947 4.746 1.00 0.00 H new ATOM 0 HA TYR A 16 2.465 -9.394 5.698 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.486 -7.275 5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.867 -6.619 5.544 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.566 -9.338 7.514 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.852 -6.051 7.562 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.230 -9.651 9.926 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.518 -6.365 9.976 1.00 0.00 H new ATOM 0 HH TYR A 16 2.035 -7.530 11.778 1.00 0.00 H new ATOM 269 N CYS A 17 2.651 -8.134 2.721 1.00 0.00 N ATOM 270 CA CYS A 17 1.874 -7.737 1.556 1.00 0.00 C ATOM 271 C CYS A 17 0.875 -8.828 1.183 1.00 0.00 C ATOM 272 O CYS A 17 -0.335 -8.608 1.194 1.00 0.00 O ATOM 273 CB CYS A 17 2.800 -7.446 0.372 1.00 0.00 C ATOM 274 SG CYS A 17 3.740 -5.891 0.521 1.00 0.00 S ATOM 0 H CYS A 17 3.643 -8.285 2.536 1.00 0.00 H new ATOM 0 HA CYS A 17 1.324 -6.829 1.803 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.502 -8.273 0.263 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.204 -7.411 -0.540 1.00 0.00 H new ATOM 279 N ASP A 18 1.393 -10.011 0.863 1.00 0.00 N ATOM 280 CA ASP A 18 0.554 -11.147 0.489 1.00 0.00 C ATOM 281 C ASP A 18 -0.537 -11.396 1.527 1.00 0.00 C ATOM 282 O ASP A 18 -1.672 -11.726 1.183 1.00 0.00 O ATOM 283 CB ASP A 18 1.408 -12.408 0.334 1.00 0.00 C ATOM 284 CG ASP A 18 0.655 -13.532 -0.349 1.00 0.00 C ATOM 285 OD1 ASP A 18 -0.378 -13.971 0.197 1.00 0.00 O ATOM 286 OD2 ASP A 18 1.098 -13.973 -1.430 1.00 0.00 O ATOM 0 H ASP A 18 2.394 -10.209 0.855 1.00 0.00 H new ATOM 0 HA ASP A 18 0.078 -10.909 -0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.302 -12.170 -0.242 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.741 -12.741 1.317 1.00 0.00 H new ATOM 291 N ASN A 19 -0.180 -11.242 2.798 1.00 0.00 N ATOM 292 CA ASN A 19 -1.124 -11.460 3.889 1.00 0.00 C ATOM 293 C ASN A 19 -2.274 -10.458 3.838 1.00 0.00 C ATOM 294 O ASN A 19 -3.428 -10.812 4.085 1.00 0.00 O ATOM 295 CB ASN A 19 -0.406 -11.368 5.238 1.00 0.00 C ATOM 296 CG ASN A 19 0.292 -12.664 5.606 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.356 -13.674 5.885 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.619 -12.642 5.606 1.00 0.00 N ATOM 0 H ASN A 19 0.755 -10.967 3.098 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.542 -12.460 3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.325 -10.561 5.204 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.127 -11.113 6.015 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.143 -13.484 5.844 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.115 -11.783 5.368 1.00 0.00 H new ATOM 305 N ALA A 20 -1.958 -9.205 3.529 1.00 0.00 N ATOM 306 CA ALA A 20 -2.979 -8.170 3.456 1.00 0.00 C ATOM 307 C ALA A 20 -3.935 -8.425 2.298 1.00 0.00 C ATOM 308 O ALA A 20 -5.152 -8.428 2.478 1.00 0.00 O ATOM 309 CB ALA A 20 -2.345 -6.792 3.337 1.00 0.00 C ATOM 0 H ALA A 20 -1.011 -8.885 3.327 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.555 -8.202 4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.127 -6.035 3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.717 -6.604 4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.736 -6.748 2.434 1.00 0.00 H new ATOM 315 N LYS A 21 -3.383 -8.656 1.114 1.00 0.00 N ATOM 316 CA LYS A 21 -4.200 -8.921 -0.066 1.00 0.00 C ATOM 317 C LYS A 21 -5.242 -9.996 0.233 1.00 0.00 C ATOM 318 O LYS A 21 -6.372 -9.933 -0.253 1.00 0.00 O ATOM 319 CB LYS A 21 -3.314 -9.363 -1.234 1.00 0.00 C ATOM 320 CG LYS A 21 -4.088 -9.665 -2.506 1.00 0.00 C ATOM 321 CD LYS A 21 -3.545 -10.897 -3.213 1.00 0.00 C ATOM 322 CE LYS A 21 -4.593 -11.528 -4.114 1.00 0.00 C ATOM 323 NZ LYS A 21 -4.509 -13.015 -4.108 1.00 0.00 N ATOM 0 H LYS A 21 -2.377 -8.666 0.944 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.717 -8.001 -0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.583 -8.581 -1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.755 -10.251 -0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.140 -9.817 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.036 -8.807 -3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.672 -10.623 -3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.213 -11.626 -2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.586 -11.219 -3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.464 -11.161 -5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.241 -13.407 -4.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.570 -13.311 -4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.657 -13.367 -3.141 1.00 0.00 H new ATOM 337 N ARG A 22 -4.856 -10.977 1.045 1.00 0.00 N ATOM 338 CA ARG A 22 -5.759 -12.059 1.420 1.00 0.00 C ATOM 339 C ARG A 22 -6.918 -11.517 2.250 1.00 0.00 C ATOM 340 O ARG A 22 -8.070 -11.904 2.055 1.00 0.00 O ATOM 341 CB ARG A 22 -5.007 -13.136 2.207 1.00 0.00 C ATOM 342 CG ARG A 22 -4.560 -14.312 1.354 1.00 0.00 C ATOM 343 CD ARG A 22 -5.746 -15.058 0.761 1.00 0.00 C ATOM 344 NE ARG A 22 -5.692 -16.490 1.047 1.00 0.00 N ATOM 345 CZ ARG A 22 -6.094 -17.035 2.193 1.00 0.00 C ATOM 346 NH1 ARG A 22 -6.580 -16.272 3.165 1.00 0.00 N ATOM 347 NH2 ARG A 22 -6.010 -18.347 2.368 1.00 0.00 N ATOM 0 H ARG A 22 -3.924 -11.044 1.455 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.157 -12.507 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.133 -12.686 2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.648 -13.502 3.009 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.916 -13.955 0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.965 -14.996 1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.671 -14.643 1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.768 -14.905 -0.318 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.324 -17.109 0.325 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.647 -15.262 3.036 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.886 -16.695 4.041 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.637 -18.938 1.625 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.318 -18.765 3.246 1.00 0.00 H new ATOM 361 N LEU A 23 -6.603 -10.607 3.169 1.00 0.00 N ATOM 362 CA LEU A 23 -7.616 -9.996 4.021 1.00 0.00 C ATOM 363 C LEU A 23 -8.689 -9.328 3.169 1.00 0.00 C ATOM 364 O LEU A 23 -9.881 -9.593 3.328 1.00 0.00 O ATOM 365 CB LEU A 23 -6.965 -8.972 4.962 1.00 0.00 C ATOM 366 CG LEU A 23 -7.906 -7.919 5.554 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.342 -7.371 6.854 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.138 -6.790 4.559 1.00 0.00 C ATOM 0 H LEU A 23 -5.653 -10.277 3.341 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.086 -10.774 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.491 -9.511 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.172 -8.459 4.417 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.863 -8.395 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.024 -6.624 7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.225 -8.184 7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.372 -6.912 6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.809 -6.051 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.186 -6.317 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.585 -7.192 3.650 1.00 0.00 H new ATOM 380 N LEU A 24 -8.253 -8.465 2.259 1.00 0.00 N ATOM 381 CA LEU A 24 -9.171 -7.759 1.373 1.00 0.00 C ATOM 382 C LEU A 24 -10.006 -8.745 0.568 1.00 0.00 C ATOM 383 O LEU A 24 -11.222 -8.590 0.447 1.00 0.00 O ATOM 384 CB LEU A 24 -8.394 -6.838 0.432 1.00 0.00 C ATOM 385 CG LEU A 24 -7.873 -5.555 1.076 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.564 -5.126 0.437 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.907 -4.447 0.961 1.00 0.00 C ATOM 0 H LEU A 24 -7.269 -8.237 2.115 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.842 -7.156 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.549 -7.391 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.038 -6.571 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.690 -5.752 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.211 -4.210 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.820 -5.912 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.720 -4.947 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.521 -3.539 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.119 -4.255 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.824 -4.751 1.467 1.00 0.00 H new ATOM 399 N THR A 25 -9.349 -9.766 0.026 1.00 0.00 N ATOM 400 CA THR A 25 -10.039 -10.785 -0.755 1.00 0.00 C ATOM 401 C THR A 25 -11.131 -11.437 0.083 1.00 0.00 C ATOM 402 O THR A 25 -12.195 -11.791 -0.425 1.00 0.00 O ATOM 403 CB THR A 25 -9.048 -11.844 -1.242 1.00 0.00 C ATOM 404 OG1 THR A 25 -7.987 -11.244 -1.965 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.679 -12.889 -2.137 1.00 0.00 C ATOM 0 H THR A 25 -8.343 -9.909 0.113 1.00 0.00 H new ATOM 0 HA THR A 25 -10.496 -10.309 -1.623 1.00 0.00 H new ATOM 0 HB THR A 25 -8.684 -12.334 -0.339 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.364 -10.819 -1.339 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.921 -13.609 -2.446 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.469 -13.406 -1.592 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.102 -12.406 -3.018 1.00 0.00 H new ATOM 413 N VAL A 26 -10.858 -11.577 1.376 1.00 0.00 N ATOM 414 CA VAL A 26 -11.810 -12.173 2.306 1.00 0.00 C ATOM 415 C VAL A 26 -12.869 -11.154 2.717 1.00 0.00 C ATOM 416 O VAL A 26 -14.029 -11.501 2.937 1.00 0.00 O ATOM 417 CB VAL A 26 -11.099 -12.699 3.569 1.00 0.00 C ATOM 418 CG1 VAL A 26 -12.085 -13.390 4.498 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.966 -13.640 3.188 1.00 0.00 C ATOM 0 H VAL A 26 -9.980 -11.284 1.805 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.287 -13.009 1.794 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.675 -11.848 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.560 -13.752 5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.858 -12.683 4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.546 -14.231 3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.475 -14.002 4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.368 -14.485 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.243 -13.107 2.570 1.00 0.00 H new ATOM 429 N LYS A 27 -12.458 -9.893 2.812 1.00 0.00 N ATOM 430 CA LYS A 27 -13.365 -8.816 3.189 1.00 0.00 C ATOM 431 C LYS A 27 -14.343 -8.500 2.057 1.00 0.00 C ATOM 432 O LYS A 27 -15.315 -7.771 2.253 1.00 0.00 O ATOM 433 CB LYS A 27 -12.571 -7.557 3.556 1.00 0.00 C ATOM 434 CG LYS A 27 -12.545 -7.259 5.048 1.00 0.00 C ATOM 435 CD LYS A 27 -11.261 -7.753 5.694 1.00 0.00 C ATOM 436 CE LYS A 27 -11.524 -8.373 7.057 1.00 0.00 C ATOM 437 NZ LYS A 27 -10.702 -9.595 7.279 1.00 0.00 N ATOM 0 H LYS A 27 -11.500 -9.592 2.632 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.937 -9.146 4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.547 -7.668 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.000 -6.703 3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.643 -6.185 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.401 -7.732 5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.786 -8.488 5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.563 -6.922 5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.306 -7.643 7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.581 -8.626 7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.102 -10.144 8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.704 -10.176 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.726 -9.320 7.509 1.00 0.00 H new ATOM 451 N LYS A 28 -14.079 -9.049 0.871 1.00 0.00 N ATOM 452 CA LYS A 28 -14.935 -8.817 -0.289 1.00 0.00 C ATOM 453 C LYS A 28 -14.845 -7.362 -0.738 1.00 0.00 C ATOM 454 O LYS A 28 -15.861 -6.700 -0.956 1.00 0.00 O ATOM 455 CB LYS A 28 -16.388 -9.178 0.034 1.00 0.00 C ATOM 456 CG LYS A 28 -17.105 -9.894 -1.099 1.00 0.00 C ATOM 457 CD LYS A 28 -17.470 -8.934 -2.220 1.00 0.00 C ATOM 458 CE LYS A 28 -16.426 -8.949 -3.325 1.00 0.00 C ATOM 459 NZ LYS A 28 -16.264 -7.608 -3.954 1.00 0.00 N ATOM 0 H LYS A 28 -13.280 -9.656 0.690 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.588 -9.456 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.407 -9.810 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.934 -8.267 0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.468 -10.687 -1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.008 -10.370 -0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.442 -9.206 -2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.564 -7.924 -1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.470 -9.276 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.713 -9.675 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.443 -7.621 -4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.120 -7.373 -4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.115 -6.893 -3.214 1.00 0.00 H new ATOM 473 N GLN A 29 -13.619 -6.867 -0.870 1.00 0.00 N ATOM 474 CA GLN A 29 -13.393 -5.491 -1.284 1.00 0.00 C ATOM 475 C GLN A 29 -12.413 -5.417 -2.451 1.00 0.00 C ATOM 476 O GLN A 29 -11.332 -6.004 -2.400 1.00 0.00 O ATOM 477 CB GLN A 29 -12.852 -4.675 -0.107 1.00 0.00 C ATOM 478 CG GLN A 29 -13.939 -4.068 0.768 1.00 0.00 C ATOM 479 CD GLN A 29 -14.861 -3.139 0.002 1.00 0.00 C ATOM 480 OE1 GLN A 29 -16.084 -3.241 0.100 1.00 0.00 O ATOM 481 NE2 GLN A 29 -14.278 -2.222 -0.761 1.00 0.00 N ATOM 0 H GLN A 29 -12.767 -7.400 -0.696 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.347 -5.077 -1.611 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.219 -5.316 0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.219 -3.875 -0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.528 -4.869 1.216 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.475 -3.518 1.587 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.260 -2.173 -0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.848 -1.566 -1.296 1.00 0.00 H new ATOM 490 N PRO A 30 -12.765 -4.676 -3.518 1.00 0.00 N ATOM 491 CA PRO A 30 -11.895 -4.517 -4.686 1.00 0.00 C ATOM 492 C PRO A 30 -10.770 -3.535 -4.401 1.00 0.00 C ATOM 493 O PRO A 30 -10.974 -2.542 -3.705 1.00 0.00 O ATOM 494 CB PRO A 30 -12.840 -3.946 -5.740 1.00 0.00 C ATOM 495 CG PRO A 30 -13.813 -3.146 -4.948 1.00 0.00 C ATOM 496 CD PRO A 30 -14.024 -3.917 -3.670 1.00 0.00 C ATOM 0 HA PRO A 30 -11.412 -5.447 -4.986 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.307 -3.327 -6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.336 -4.737 -6.303 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.426 -2.147 -4.744 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.750 -3.020 -5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.198 -3.253 -2.824 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.887 -4.579 -3.738 1.00 0.00 H new ATOM 504 N PHE A 31 -9.584 -3.804 -4.929 1.00 0.00 N ATOM 505 CA PHE A 31 -8.454 -2.919 -4.697 1.00 0.00 C ATOM 506 C PHE A 31 -7.372 -3.075 -5.760 1.00 0.00 C ATOM 507 O PHE A 31 -7.413 -3.996 -6.575 1.00 0.00 O ATOM 508 CB PHE A 31 -7.865 -3.176 -3.330 1.00 0.00 C ATOM 509 CG PHE A 31 -7.328 -4.559 -3.194 1.00 0.00 C ATOM 510 CD1 PHE A 31 -8.195 -5.631 -3.159 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.969 -4.791 -3.127 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.720 -6.917 -3.055 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.482 -6.077 -3.025 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.359 -7.145 -2.988 1.00 0.00 C ATOM 0 H PHE A 31 -9.382 -4.616 -5.512 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.828 -1.897 -4.753 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.066 -2.459 -3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.629 -3.010 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.260 -5.458 -3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.282 -3.959 -3.155 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.410 -7.748 -3.026 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.417 -6.250 -2.974 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.982 -8.154 -2.907 1.00 0.00 H new ATOM 524 N GLU A 32 -6.393 -2.171 -5.733 1.00 0.00 N ATOM 525 CA GLU A 32 -5.290 -2.214 -6.686 1.00 0.00 C ATOM 526 C GLU A 32 -3.975 -1.827 -6.020 1.00 0.00 C ATOM 527 O GLU A 32 -3.883 -0.799 -5.350 1.00 0.00 O ATOM 528 CB GLU A 32 -5.567 -1.287 -7.872 1.00 0.00 C ATOM 529 CG GLU A 32 -6.188 -1.997 -9.064 1.00 0.00 C ATOM 530 CD GLU A 32 -5.174 -2.790 -9.864 1.00 0.00 C ATOM 531 OE1 GLU A 32 -4.840 -3.920 -9.448 1.00 0.00 O ATOM 532 OE2 GLU A 32 -4.714 -2.282 -10.909 1.00 0.00 O ATOM 0 H GLU A 32 -6.343 -1.403 -5.063 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.204 -3.238 -7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.232 -0.486 -7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.633 -0.820 -8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.973 -2.667 -8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.662 -1.261 -9.713 1.00 0.00 H new ATOM 539 N PHE A 33 -2.963 -2.665 -6.206 1.00 0.00 N ATOM 540 CA PHE A 33 -1.652 -2.432 -5.632 1.00 0.00 C ATOM 541 C PHE A 33 -0.780 -1.616 -6.582 1.00 0.00 C ATOM 542 O PHE A 33 -1.068 -1.521 -7.775 1.00 0.00 O ATOM 543 CB PHE A 33 -0.997 -3.780 -5.341 1.00 0.00 C ATOM 544 CG PHE A 33 0.258 -3.680 -4.539 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.207 -3.679 -3.160 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.484 -3.589 -5.166 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.364 -3.589 -2.413 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.647 -3.498 -4.427 1.00 0.00 C ATOM 549 CZ PHE A 33 2.585 -3.499 -3.046 1.00 0.00 C ATOM 0 H PHE A 33 -3.031 -3.521 -6.757 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.760 -1.864 -4.708 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.708 -4.411 -4.808 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.775 -4.277 -6.285 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.748 -3.749 -2.660 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.534 -3.589 -6.245 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.313 -3.589 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.602 -3.426 -4.926 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.492 -3.429 -2.464 1.00 0.00 H new ATOM 559 N ILE A 34 0.288 -1.031 -6.048 1.00 0.00 N ATOM 560 CA ILE A 34 1.204 -0.228 -6.849 1.00 0.00 C ATOM 561 C ILE A 34 2.626 -0.355 -6.327 1.00 0.00 C ATOM 562 O ILE A 34 2.907 -0.071 -5.162 1.00 0.00 O ATOM 563 CB ILE A 34 0.808 1.259 -6.868 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.700 1.404 -7.069 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.566 1.994 -7.964 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.205 2.816 -6.870 1.00 0.00 C ATOM 0 H ILE A 34 0.540 -1.099 -5.062 1.00 0.00 H new ATOM 0 HA ILE A 34 1.146 -0.612 -7.868 1.00 0.00 H new ATOM 0 HB ILE A 34 1.073 1.703 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.957 1.074 -8.075 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.216 0.741 -6.374 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.276 3.045 -7.965 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.638 1.914 -7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.328 1.551 -8.931 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.283 2.843 -7.029 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.979 3.143 -5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.717 3.481 -7.583 1.00 0.00 H new ATOM 578 N ASN A 35 3.512 -0.791 -7.202 1.00 0.00 N ATOM 579 CA ASN A 35 4.918 -0.975 -6.855 1.00 0.00 C ATOM 580 C ASN A 35 5.661 0.355 -6.858 1.00 0.00 C ATOM 581 O ASN A 35 5.490 1.172 -7.763 1.00 0.00 O ATOM 582 CB ASN A 35 5.582 -1.946 -7.832 1.00 0.00 C ATOM 583 CG ASN A 35 6.904 -2.475 -7.313 1.00 0.00 C ATOM 584 OD1 ASN A 35 7.359 -2.092 -6.236 1.00 0.00 O ATOM 585 ND2 ASN A 35 7.527 -3.364 -8.079 1.00 0.00 N ATOM 0 H ASN A 35 3.285 -1.028 -8.168 1.00 0.00 H new ATOM 0 HA ASN A 35 4.965 -1.392 -5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.909 -2.782 -8.023 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.744 -1.443 -8.786 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.420 -3.757 -7.781 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.113 -3.653 -8.965 1.00 0.00 H new ATOM 592 N ILE A 36 6.490 0.564 -5.840 1.00 0.00 N ATOM 593 CA ILE A 36 7.266 1.794 -5.723 1.00 0.00 C ATOM 594 C ILE A 36 8.681 1.606 -6.261 1.00 0.00 C ATOM 595 O ILE A 36 9.315 2.560 -6.716 1.00 0.00 O ATOM 596 CB ILE A 36 7.343 2.271 -4.261 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.892 1.160 -3.364 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.971 2.718 -3.778 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.842 1.660 -2.297 1.00 0.00 C ATOM 0 H ILE A 36 6.642 -0.103 -5.084 1.00 0.00 H new ATOM 0 HA ILE A 36 6.753 2.550 -6.318 1.00 0.00 H new ATOM 0 HB ILE A 36 8.022 3.122 -4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.059 0.645 -2.885 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.407 0.425 -3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.041 3.053 -2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.615 3.538 -4.401 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.273 1.884 -3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.192 0.819 -1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.694 2.149 -2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.325 2.372 -1.654 1.00 0.00 H new ATOM 611 N MET A 37 9.172 0.372 -6.211 1.00 0.00 N ATOM 612 CA MET A 37 10.510 0.064 -6.697 1.00 0.00 C ATOM 613 C MET A 37 10.470 -1.039 -7.754 1.00 0.00 C ATOM 614 O MET A 37 10.463 -2.225 -7.422 1.00 0.00 O ATOM 615 CB MET A 37 11.420 -0.357 -5.542 1.00 0.00 C ATOM 616 CG MET A 37 12.806 -0.792 -5.991 1.00 0.00 C ATOM 617 SD MET A 37 14.102 -0.272 -4.854 1.00 0.00 S ATOM 618 CE MET A 37 13.409 -0.820 -3.298 1.00 0.00 C ATOM 0 H MET A 37 8.663 -0.430 -5.839 1.00 0.00 H new ATOM 0 HA MET A 37 10.913 0.968 -7.154 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.517 0.475 -4.844 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.949 -1.176 -4.998 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.828 -1.877 -6.088 1.00 0.00 H new ATOM 0 HG3 MET A 37 13.009 -0.380 -6.979 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.215 -1.058 -2.604 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.789 -0.028 -2.877 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.800 -1.708 -3.464 1.00 0.00 H new ATOM 628 N PRO A 38 10.440 -0.665 -9.046 1.00 0.00 N ATOM 629 CA PRO A 38 10.400 -1.629 -10.147 1.00 0.00 C ATOM 630 C PRO A 38 11.777 -2.201 -10.482 1.00 0.00 C ATOM 631 O PRO A 38 11.927 -2.955 -11.443 1.00 0.00 O ATOM 632 CB PRO A 38 9.875 -0.791 -11.308 1.00 0.00 C ATOM 633 CG PRO A 38 10.389 0.580 -11.038 1.00 0.00 C ATOM 634 CD PRO A 38 10.440 0.727 -9.537 1.00 0.00 C ATOM 0 HA PRO A 38 9.790 -2.500 -9.908 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.235 -1.169 -12.265 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.786 -0.806 -11.348 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.378 0.717 -11.476 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.737 1.333 -11.480 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.333 1.264 -9.218 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.582 1.284 -9.160 1.00 0.00 H new ATOM 642 N GLU A 39 12.781 -1.837 -9.688 1.00 0.00 N ATOM 643 CA GLU A 39 14.141 -2.315 -9.907 1.00 0.00 C ATOM 644 C GLU A 39 14.812 -2.654 -8.581 1.00 0.00 C ATOM 645 O GLU A 39 14.680 -1.919 -7.604 1.00 0.00 O ATOM 646 CB GLU A 39 14.962 -1.259 -10.652 1.00 0.00 C ATOM 647 CG GLU A 39 14.915 -1.406 -12.163 1.00 0.00 C ATOM 648 CD GLU A 39 14.854 -0.071 -12.878 1.00 0.00 C ATOM 649 OE1 GLU A 39 13.784 0.574 -12.840 1.00 0.00 O ATOM 650 OE2 GLU A 39 15.874 0.331 -13.476 1.00 0.00 O ATOM 0 H GLU A 39 12.677 -1.213 -8.888 1.00 0.00 H new ATOM 0 HA GLU A 39 14.091 -3.219 -10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.597 -0.269 -10.380 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.999 -1.318 -10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.796 -1.953 -12.498 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.045 -2.002 -12.439 1.00 0.00 H new ATOM 657 N LYS A 40 15.533 -3.771 -8.551 1.00 0.00 N ATOM 658 CA LYS A 40 16.218 -4.205 -7.335 1.00 0.00 C ATOM 659 C LYS A 40 17.317 -3.236 -6.926 1.00 0.00 C ATOM 660 O LYS A 40 17.885 -3.338 -5.839 1.00 0.00 O ATOM 661 CB LYS A 40 16.790 -5.614 -7.509 1.00 0.00 C ATOM 662 CG LYS A 40 17.483 -6.148 -6.265 1.00 0.00 C ATOM 663 CD LYS A 40 17.435 -7.666 -6.210 1.00 0.00 C ATOM 664 CE LYS A 40 18.681 -8.240 -5.555 1.00 0.00 C ATOM 665 NZ LYS A 40 18.917 -7.661 -4.204 1.00 0.00 N ATOM 0 H LYS A 40 15.659 -4.391 -9.351 1.00 0.00 H new ATOM 0 HA LYS A 40 15.477 -4.221 -6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.983 -6.293 -7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.500 -5.609 -8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 40 18.521 -5.815 -6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.006 -5.735 -5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.552 -7.983 -5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.337 -8.065 -7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.582 -9.322 -5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.546 -8.046 -6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.670 -8.195 -3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.204 -6.666 -4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.042 -7.718 -3.644 1.00 0.00 H new ATOM 679 N GLY A 41 17.593 -2.299 -7.801 1.00 0.00 N ATOM 680 CA GLY A 41 18.613 -1.299 -7.543 1.00 0.00 C ATOM 681 C GLY A 41 18.056 -0.081 -6.833 1.00 0.00 C ATOM 682 O GLY A 41 18.412 0.198 -5.687 1.00 0.00 O ATOM 0 H GLY A 41 17.126 -2.204 -8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.406 -1.739 -6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 41 19.065 -0.992 -8.486 1.00 0.00 H new ATOM 686 N VAL A 42 17.175 0.643 -7.515 1.00 0.00 N ATOM 687 CA VAL A 42 16.565 1.838 -6.946 1.00 0.00 C ATOM 688 C VAL A 42 15.084 1.924 -7.303 1.00 0.00 C ATOM 689 O VAL A 42 14.644 1.358 -8.303 1.00 0.00 O ATOM 690 CB VAL A 42 17.271 3.116 -7.437 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.767 4.331 -6.674 1.00 0.00 C ATOM 692 CG2 VAL A 42 18.780 2.979 -7.302 1.00 0.00 C ATOM 0 H VAL A 42 16.868 0.423 -8.462 1.00 0.00 H new ATOM 0 HA VAL A 42 16.673 1.762 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 42 17.036 3.256 -8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.277 5.224 -7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.693 4.439 -6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.969 4.202 -5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.261 3.892 -7.654 1.00 0.00 H new ATOM 0 HG22 VAL A 42 19.038 2.813 -6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.124 2.134 -7.899 1.00 0.00 H new ATOM 702 N PHE A 43 14.320 2.642 -6.484 1.00 0.00 N ATOM 703 CA PHE A 43 12.886 2.802 -6.729 1.00 0.00 C ATOM 704 C PHE A 43 12.637 3.783 -7.871 1.00 0.00 C ATOM 705 O PHE A 43 13.548 4.484 -8.310 1.00 0.00 O ATOM 706 CB PHE A 43 12.144 3.273 -5.468 1.00 0.00 C ATOM 707 CG PHE A 43 13.011 3.974 -4.460 1.00 0.00 C ATOM 708 CD1 PHE A 43 13.191 5.346 -4.514 1.00 0.00 C ATOM 709 CD2 PHE A 43 13.642 3.256 -3.459 1.00 0.00 C ATOM 710 CE1 PHE A 43 13.987 5.990 -3.586 1.00 0.00 C ATOM 711 CE2 PHE A 43 14.439 3.894 -2.528 1.00 0.00 C ATOM 712 CZ PHE A 43 14.612 5.263 -2.592 1.00 0.00 C ATOM 0 H PHE A 43 14.664 3.119 -5.651 1.00 0.00 H new ATOM 0 HA PHE A 43 12.497 1.823 -7.008 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.339 3.945 -5.765 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.680 2.410 -4.991 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.704 5.919 -5.290 1.00 0.00 H new ATOM 0 HD2 PHE A 43 13.510 2.185 -3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.120 7.060 -3.638 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.926 3.323 -1.751 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.235 5.764 -1.866 1.00 0.00 H new ATOM 722 N ASP A 44 11.395 3.825 -8.348 1.00 0.00 N ATOM 723 CA ASP A 44 11.024 4.716 -9.445 1.00 0.00 C ATOM 724 C ASP A 44 10.321 5.969 -8.927 1.00 0.00 C ATOM 725 O ASP A 44 9.220 5.894 -8.386 1.00 0.00 O ATOM 726 CB ASP A 44 10.118 3.985 -10.437 1.00 0.00 C ATOM 727 CG ASP A 44 10.066 4.672 -11.787 1.00 0.00 C ATOM 728 OD1 ASP A 44 11.129 4.800 -12.428 1.00 0.00 O ATOM 729 OD2 ASP A 44 8.962 5.081 -12.203 1.00 0.00 O ATOM 0 H ASP A 44 10.629 3.253 -7.992 1.00 0.00 H new ATOM 0 HA ASP A 44 11.940 5.022 -9.951 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.475 2.963 -10.566 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.111 3.921 -10.026 1.00 0.00 H new ATOM 734 N ASP A 45 10.962 7.121 -9.107 1.00 0.00 N ATOM 735 CA ASP A 45 10.400 8.393 -8.661 1.00 0.00 C ATOM 736 C ASP A 45 9.001 8.618 -9.235 1.00 0.00 C ATOM 737 O ASP A 45 8.208 9.374 -8.673 1.00 0.00 O ATOM 738 CB ASP A 45 11.317 9.548 -9.067 1.00 0.00 C ATOM 739 CG ASP A 45 12.537 9.658 -8.173 1.00 0.00 C ATOM 740 OD1 ASP A 45 12.390 10.128 -7.026 1.00 0.00 O ATOM 741 OD2 ASP A 45 13.638 9.274 -8.620 1.00 0.00 O ATOM 0 H ASP A 45 11.873 7.200 -9.559 1.00 0.00 H new ATOM 0 HA ASP A 45 10.320 8.357 -7.574 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.638 9.408 -10.099 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.758 10.483 -9.031 1.00 0.00 H new ATOM 746 N GLU A 46 8.702 7.962 -10.354 1.00 0.00 N ATOM 747 CA GLU A 46 7.396 8.101 -10.992 1.00 0.00 C ATOM 748 C GLU A 46 6.281 7.685 -10.039 1.00 0.00 C ATOM 749 O GLU A 46 5.342 8.442 -9.797 1.00 0.00 O ATOM 750 CB GLU A 46 7.334 7.262 -12.269 1.00 0.00 C ATOM 751 CG GLU A 46 6.340 7.787 -13.295 1.00 0.00 C ATOM 752 CD GLU A 46 6.891 7.760 -14.707 1.00 0.00 C ATOM 753 OE1 GLU A 46 7.863 7.013 -14.951 1.00 0.00 O ATOM 754 OE2 GLU A 46 6.353 8.486 -15.567 1.00 0.00 O ATOM 0 H GLU A 46 9.343 7.332 -10.836 1.00 0.00 H new ATOM 0 HA GLU A 46 7.256 9.150 -11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.326 7.228 -12.720 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.068 6.238 -12.008 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.430 7.189 -13.253 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.062 8.809 -13.037 1.00 0.00 H new ATOM 761 N LYS A 47 6.398 6.479 -9.494 1.00 0.00 N ATOM 762 CA LYS A 47 5.404 5.968 -8.558 1.00 0.00 C ATOM 763 C LYS A 47 5.497 6.708 -7.228 1.00 0.00 C ATOM 764 O LYS A 47 4.508 6.850 -6.510 1.00 0.00 O ATOM 765 CB LYS A 47 5.600 4.466 -8.338 1.00 0.00 C ATOM 766 CG LYS A 47 5.767 3.681 -9.629 1.00 0.00 C ATOM 767 CD LYS A 47 4.542 3.809 -10.521 1.00 0.00 C ATOM 768 CE LYS A 47 4.369 2.586 -11.408 1.00 0.00 C ATOM 769 NZ LYS A 47 3.080 2.619 -12.152 1.00 0.00 N ATOM 0 H LYS A 47 7.169 5.839 -9.684 1.00 0.00 H new ATOM 0 HA LYS A 47 4.414 6.133 -8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.478 4.310 -7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.744 4.072 -7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.647 4.040 -10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.942 2.630 -9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.653 3.941 -9.904 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.634 4.700 -11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.196 2.531 -12.116 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.413 1.685 -10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.000 1.769 -12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.290 2.646 -11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.049 3.466 -12.755 1.00 0.00 H new ATOM 783 N ILE A 48 6.696 7.185 -6.914 1.00 0.00 N ATOM 784 CA ILE A 48 6.934 7.920 -5.680 1.00 0.00 C ATOM 785 C ILE A 48 6.300 9.305 -5.748 1.00 0.00 C ATOM 786 O ILE A 48 5.743 9.793 -4.765 1.00 0.00 O ATOM 787 CB ILE A 48 8.446 8.071 -5.412 1.00 0.00 C ATOM 788 CG1 ILE A 48 9.106 6.698 -5.259 1.00 0.00 C ATOM 789 CG2 ILE A 48 8.693 8.926 -4.178 1.00 0.00 C ATOM 790 CD1 ILE A 48 8.454 5.819 -4.215 1.00 0.00 C ATOM 0 H ILE A 48 7.522 7.074 -7.502 1.00 0.00 H new ATOM 0 HA ILE A 48 6.481 7.353 -4.867 1.00 0.00 H new ATOM 0 HB ILE A 48 8.895 8.574 -6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.081 6.184 -6.220 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.155 6.837 -4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.766 9.019 -4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.263 9.916 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.228 8.457 -3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.977 4.864 -4.165 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.503 6.311 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.411 5.648 -4.483 1.00 0.00 H new ATOM 802 N ALA A 49 6.398 9.934 -6.913 1.00 0.00 N ATOM 803 CA ALA A 49 5.846 11.267 -7.110 1.00 0.00 C ATOM 804 C ALA A 49 4.330 11.264 -6.951 1.00 0.00 C ATOM 805 O ALA A 49 3.780 12.010 -6.141 1.00 0.00 O ATOM 806 CB ALA A 49 6.233 11.802 -8.480 1.00 0.00 C ATOM 0 H ALA A 49 6.855 9.541 -7.736 1.00 0.00 H new ATOM 0 HA ALA A 49 6.264 11.921 -6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.813 12.799 -8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.319 11.852 -8.558 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.844 11.139 -9.253 1.00 0.00 H new ATOM 812 N GLU A 50 3.656 10.418 -7.726 1.00 0.00 N ATOM 813 CA GLU A 50 2.201 10.323 -7.663 1.00 0.00 C ATOM 814 C GLU A 50 1.745 10.012 -6.240 1.00 0.00 C ATOM 815 O GLU A 50 0.690 10.470 -5.802 1.00 0.00 O ATOM 816 CB GLU A 50 1.687 9.255 -8.632 1.00 0.00 C ATOM 817 CG GLU A 50 2.015 7.832 -8.212 1.00 0.00 C ATOM 818 CD GLU A 50 2.078 6.877 -9.388 1.00 0.00 C ATOM 819 OE1 GLU A 50 2.693 7.239 -10.413 1.00 0.00 O ATOM 820 OE2 GLU A 50 1.510 5.770 -9.285 1.00 0.00 O ATOM 0 H GLU A 50 4.092 9.791 -8.402 1.00 0.00 H new ATOM 0 HA GLU A 50 1.784 11.286 -7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.606 9.355 -8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.112 9.439 -9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.972 7.823 -7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.262 7.483 -7.505 1.00 0.00 H new ATOM 827 N LEU A 51 2.555 9.241 -5.521 1.00 0.00 N ATOM 828 CA LEU A 51 2.242 8.886 -4.145 1.00 0.00 C ATOM 829 C LEU A 51 2.205 10.137 -3.278 1.00 0.00 C ATOM 830 O LEU A 51 1.249 10.364 -2.538 1.00 0.00 O ATOM 831 CB LEU A 51 3.277 7.900 -3.605 1.00 0.00 C ATOM 832 CG LEU A 51 3.107 7.518 -2.135 1.00 0.00 C ATOM 833 CD1 LEU A 51 1.680 7.072 -1.863 1.00 0.00 C ATOM 834 CD2 LEU A 51 4.092 6.423 -1.754 1.00 0.00 C ATOM 0 H LEU A 51 3.431 8.852 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 51 1.261 8.411 -4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.239 6.992 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.270 8.330 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 51 3.314 8.396 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.577 6.804 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.993 7.885 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.445 6.207 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.958 6.162 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.914 5.543 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.110 6.778 -1.913 1.00 0.00 H new ATOM 846 N LEU A 52 3.248 10.956 -3.389 1.00 0.00 N ATOM 847 CA LEU A 52 3.336 12.193 -2.631 1.00 0.00 C ATOM 848 C LEU A 52 2.083 13.038 -2.809 1.00 0.00 C ATOM 849 O LEU A 52 1.535 13.573 -1.845 1.00 0.00 O ATOM 850 CB LEU A 52 4.554 12.953 -3.071 1.00 0.00 C ATOM 851 CG LEU A 52 5.842 12.290 -2.636 1.00 0.00 C ATOM 852 CD1 LEU A 52 6.999 13.044 -3.199 1.00 0.00 C ATOM 853 CD2 LEU A 52 5.924 12.218 -1.120 1.00 0.00 C ATOM 0 H LEU A 52 4.045 10.781 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 52 3.419 11.954 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.547 13.047 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.514 13.963 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 52 5.867 11.268 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.929 12.569 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.938 13.044 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.976 14.071 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.858 11.738 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.889 13.226 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.083 11.639 -0.737 1.00 0.00 H new ATOM 865 N THR A 53 1.628 13.137 -4.053 1.00 0.00 N ATOM 866 CA THR A 53 0.428 13.900 -4.368 1.00 0.00 C ATOM 867 C THR A 53 -0.788 13.257 -3.713 1.00 0.00 C ATOM 868 O THR A 53 -1.731 13.943 -3.318 1.00 0.00 O ATOM 869 CB THR A 53 0.228 13.977 -5.883 1.00 0.00 C ATOM 870 OG1 THR A 53 1.351 14.575 -6.506 1.00 0.00 O ATOM 871 CG2 THR A 53 -0.997 14.771 -6.286 1.00 0.00 C ATOM 0 H THR A 53 2.073 12.698 -4.859 1.00 0.00 H new ATOM 0 HA THR A 53 0.547 14.912 -3.980 1.00 0.00 H new ATOM 0 HB THR A 53 0.096 12.946 -6.210 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.206 14.614 -7.474 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.080 14.786 -7.373 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.887 14.307 -5.861 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.907 15.792 -5.915 1.00 0.00 H new ATOM 879 N LYS A 54 -0.750 11.933 -3.593 1.00 0.00 N ATOM 880 CA LYS A 54 -1.838 11.192 -2.974 1.00 0.00 C ATOM 881 C LYS A 54 -1.925 11.520 -1.486 1.00 0.00 C ATOM 882 O LYS A 54 -3.002 11.482 -0.892 1.00 0.00 O ATOM 883 CB LYS A 54 -1.640 9.686 -3.173 1.00 0.00 C ATOM 884 CG LYS A 54 -2.941 8.904 -3.214 1.00 0.00 C ATOM 885 CD LYS A 54 -2.732 7.501 -3.762 1.00 0.00 C ATOM 886 CE LYS A 54 -2.933 7.457 -5.268 1.00 0.00 C ATOM 887 NZ LYS A 54 -4.217 8.086 -5.678 1.00 0.00 N ATOM 0 H LYS A 54 0.024 11.353 -3.917 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.772 11.487 -3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.095 9.519 -4.102 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.018 9.299 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.363 8.845 -2.211 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.665 9.433 -3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.726 7.160 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.428 6.814 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.106 7.969 -5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.913 6.421 -5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.652 7.524 -6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.861 8.123 -4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.037 9.051 -6.021 1.00 0.00 H new ATOM 901 N LEU A 55 -0.780 11.851 -0.895 1.00 0.00 N ATOM 902 CA LEU A 55 -0.717 12.198 0.519 1.00 0.00 C ATOM 903 C LEU A 55 -1.428 13.521 0.781 1.00 0.00 C ATOM 904 O LEU A 55 -2.367 13.591 1.574 1.00 0.00 O ATOM 905 CB LEU A 55 0.741 12.297 0.976 1.00 0.00 C ATOM 906 CG LEU A 55 1.557 10.999 0.900 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.458 10.877 2.115 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.653 9.777 0.796 1.00 0.00 C ATOM 0 H LEU A 55 0.119 11.886 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.218 11.412 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.241 13.053 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.755 12.653 2.006 1.00 0.00 H new ATOM 0 HG LEU A 55 2.169 11.041 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.032 9.953 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.140 11.726 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.850 10.864 3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.264 8.876 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.006 9.727 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.041 9.853 -0.103 1.00 0.00 H new ATOM 920 N GLY A 56 -0.969 14.568 0.103 1.00 0.00 N ATOM 921 CA GLY A 56 -1.560 15.883 0.265 1.00 0.00 C ATOM 922 C GLY A 56 -0.807 16.945 -0.511 1.00 0.00 C ATOM 923 O GLY A 56 -0.858 16.979 -1.741 1.00 0.00 O ATOM 0 H GLY A 56 -0.194 14.528 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.597 15.858 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.572 16.147 1.322 1.00 0.00 H new ATOM 927 N ARG A 57 -0.098 17.810 0.208 1.00 0.00 N ATOM 928 CA ARG A 57 0.679 18.873 -0.421 1.00 0.00 C ATOM 929 C ARG A 57 1.891 19.228 0.430 1.00 0.00 C ATOM 930 O ARG A 57 2.322 20.380 0.471 1.00 0.00 O ATOM 931 CB ARG A 57 -0.190 20.112 -0.645 1.00 0.00 C ATOM 932 CG ARG A 57 0.425 21.121 -1.601 1.00 0.00 C ATOM 933 CD ARG A 57 0.083 20.799 -3.047 1.00 0.00 C ATOM 934 NE ARG A 57 0.964 21.490 -3.985 1.00 0.00 N ATOM 935 CZ ARG A 57 0.945 21.294 -5.302 1.00 0.00 C ATOM 936 NH1 ARG A 57 0.093 20.429 -5.839 1.00 0.00 N ATOM 937 NH2 ARG A 57 1.780 21.964 -6.084 1.00 0.00 N ATOM 0 H ARG A 57 -0.045 17.796 1.227 1.00 0.00 H new ATOM 0 HA ARG A 57 1.028 18.512 -1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.160 19.800 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.372 20.597 0.314 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.068 22.121 -1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.508 21.130 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.157 19.723 -3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.951 21.081 -3.246 1.00 0.00 H new ATOM 0 HE ARG A 57 1.633 22.162 -3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.551 19.911 -5.242 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.083 20.283 -6.848 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.437 22.630 -5.677 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.765 21.814 -7.093 1.00 0.00 H new ATOM 951 N ASP A 58 2.434 18.224 1.106 1.00 0.00 N ATOM 952 CA ASP A 58 3.597 18.411 1.961 1.00 0.00 C ATOM 953 C ASP A 58 4.752 17.522 1.492 1.00 0.00 C ATOM 954 O ASP A 58 4.886 17.248 0.299 1.00 0.00 O ATOM 955 CB ASP A 58 3.224 18.100 3.415 1.00 0.00 C ATOM 956 CG ASP A 58 3.932 19.008 4.401 1.00 0.00 C ATOM 957 OD1 ASP A 58 5.107 19.351 4.154 1.00 0.00 O ATOM 958 OD2 ASP A 58 3.311 19.376 5.420 1.00 0.00 O ATOM 0 H ASP A 58 2.084 17.266 1.078 1.00 0.00 H new ATOM 0 HA ASP A 58 3.925 19.449 1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.146 18.203 3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.474 17.062 3.637 1.00 0.00 H new ATOM 963 N THR A 59 5.576 17.070 2.431 1.00 0.00 N ATOM 964 CA THR A 59 6.709 16.211 2.109 1.00 0.00 C ATOM 965 C THR A 59 6.548 14.842 2.761 1.00 0.00 C ATOM 966 O THR A 59 5.664 14.640 3.592 1.00 0.00 O ATOM 967 CB THR A 59 8.016 16.859 2.569 1.00 0.00 C ATOM 968 OG1 THR A 59 9.119 16.016 2.291 1.00 0.00 O ATOM 969 CG2 THR A 59 8.040 17.171 4.051 1.00 0.00 C ATOM 0 H THR A 59 5.480 17.285 3.423 1.00 0.00 H new ATOM 0 HA THR A 59 6.741 16.080 1.027 1.00 0.00 H new ATOM 0 HB THR A 59 8.085 17.795 2.015 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.945 16.449 2.591 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.994 17.629 4.311 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.230 17.860 4.291 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.913 16.249 4.619 1.00 0.00 H new ATOM 977 N GLN A 60 7.410 13.903 2.382 1.00 0.00 N ATOM 978 CA GLN A 60 7.359 12.558 2.935 1.00 0.00 C ATOM 979 C GLN A 60 8.163 12.479 4.223 1.00 0.00 C ATOM 980 O GLN A 60 9.385 12.333 4.206 1.00 0.00 O ATOM 981 CB GLN A 60 7.898 11.545 1.926 1.00 0.00 C ATOM 982 CG GLN A 60 9.263 11.909 1.365 1.00 0.00 C ATOM 983 CD GLN A 60 9.180 12.523 -0.019 1.00 0.00 C ATOM 984 OE1 GLN A 60 8.648 13.620 -0.194 1.00 0.00 O ATOM 985 NE2 GLN A 60 9.708 11.818 -1.012 1.00 0.00 N ATOM 0 H GLN A 60 8.150 14.050 1.696 1.00 0.00 H new ATOM 0 HA GLN A 60 6.318 12.320 3.154 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.960 10.567 2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.189 11.453 1.103 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.754 12.610 2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.885 11.015 1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.139 10.913 -0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.683 12.181 -1.965 1.00 0.00 H new ATOM 994 N ILE A 61 7.458 12.571 5.336 1.00 0.00 N ATOM 995 CA ILE A 61 8.083 12.513 6.653 1.00 0.00 C ATOM 996 C ILE A 61 8.370 11.074 7.063 1.00 0.00 C ATOM 997 O ILE A 61 7.584 10.454 7.778 1.00 0.00 O ATOM 998 CB ILE A 61 7.199 13.175 7.727 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.773 12.629 7.656 1.00 0.00 C ATOM 1000 CG2 ILE A 61 7.203 14.687 7.557 1.00 0.00 C ATOM 1001 CD1 ILE A 61 5.119 12.470 9.012 1.00 0.00 C ATOM 0 H ILE A 61 6.445 12.687 5.358 1.00 0.00 H new ATOM 0 HA ILE A 61 9.022 13.061 6.580 1.00 0.00 H new ATOM 0 HB ILE A 61 7.608 12.938 8.709 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.166 13.298 7.045 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.787 11.662 7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.574 15.141 8.323 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.222 15.061 7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.816 14.943 6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.110 12.079 8.885 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.703 11.778 9.619 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.073 13.439 9.509 1.00 0.00 H new ATOM 1013 N GLY A 62 9.500 10.548 6.605 1.00 0.00 N ATOM 1014 CA GLY A 62 9.872 9.185 6.936 1.00 0.00 C ATOM 1015 C GLY A 62 8.794 8.182 6.571 1.00 0.00 C ATOM 1016 O GLY A 62 8.693 7.120 7.182 1.00 0.00 O ATOM 0 H GLY A 62 10.166 11.041 6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.794 8.927 6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.079 9.118 8.004 1.00 0.00 H new ATOM 1020 N LEU A 63 7.983 8.526 5.574 1.00 0.00 N ATOM 1021 CA LEU A 63 6.905 7.648 5.129 1.00 0.00 C ATOM 1022 C LEU A 63 7.432 6.251 4.807 1.00 0.00 C ATOM 1023 O LEU A 63 8.585 6.090 4.406 1.00 0.00 O ATOM 1024 CB LEU A 63 6.204 8.242 3.905 1.00 0.00 C ATOM 1025 CG LEU A 63 4.707 8.500 4.082 1.00 0.00 C ATOM 1026 CD1 LEU A 63 3.998 7.234 4.539 1.00 0.00 C ATOM 1027 CD2 LEU A 63 4.478 9.627 5.076 1.00 0.00 C ATOM 0 H LEU A 63 8.052 9.404 5.060 1.00 0.00 H new ATOM 0 HA LEU A 63 6.184 7.562 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.692 9.182 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.344 7.567 3.061 1.00 0.00 H new ATOM 0 HG LEU A 63 4.291 8.798 3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.934 7.436 4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.136 6.450 3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.415 6.907 5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.408 9.799 5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.908 9.355 6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.954 10.537 4.711 1.00 0.00 H new ATOM 1039 N THR A 64 6.583 5.246 4.992 1.00 0.00 N ATOM 1040 CA THR A 64 6.970 3.866 4.728 1.00 0.00 C ATOM 1041 C THR A 64 5.978 3.168 3.802 1.00 0.00 C ATOM 1042 O THR A 64 4.898 3.686 3.517 1.00 0.00 O ATOM 1043 CB THR A 64 7.087 3.092 6.042 1.00 0.00 C ATOM 1044 OG1 THR A 64 5.971 3.351 6.876 1.00 0.00 O ATOM 1045 CG2 THR A 64 8.334 3.431 6.828 1.00 0.00 C ATOM 0 H THR A 64 5.625 5.361 5.323 1.00 0.00 H new ATOM 0 HA THR A 64 7.938 3.885 4.228 1.00 0.00 H new ATOM 0 HB THR A 64 7.133 2.041 5.755 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.062 2.846 7.711 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.354 2.847 7.748 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.215 3.198 6.231 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.332 4.493 7.073 1.00 0.00 H new ATOM 1053 N MET A 65 6.356 1.979 3.344 1.00 0.00 N ATOM 1054 CA MET A 65 5.514 1.191 2.456 1.00 0.00 C ATOM 1055 C MET A 65 5.226 -0.178 3.065 1.00 0.00 C ATOM 1056 O MET A 65 5.963 -0.641 3.936 1.00 0.00 O ATOM 1057 CB MET A 65 6.189 1.030 1.092 1.00 0.00 C ATOM 1058 CG MET A 65 6.074 2.263 0.210 1.00 0.00 C ATOM 1059 SD MET A 65 7.539 3.311 0.287 1.00 0.00 S ATOM 1060 CE MET A 65 6.933 4.668 1.287 1.00 0.00 C ATOM 0 H MET A 65 7.247 1.539 3.576 1.00 0.00 H new ATOM 0 HA MET A 65 4.568 1.716 2.322 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.243 0.797 1.242 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.746 0.180 0.574 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.908 1.953 -0.822 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.202 2.842 0.513 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.004 5.597 0.721 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.893 4.485 1.556 1.00 0.00 H new ATOM 0 HE3 MET A 65 7.533 4.749 2.193 1.00 0.00 H new ATOM 1070 N PRO A 66 4.143 -0.844 2.629 1.00 0.00 N ATOM 1071 CA PRO A 66 3.231 -0.343 1.596 1.00 0.00 C ATOM 1072 C PRO A 66 2.240 0.686 2.129 1.00 0.00 C ATOM 1073 O PRO A 66 1.747 0.571 3.252 1.00 0.00 O ATOM 1074 CB PRO A 66 2.486 -1.603 1.126 1.00 0.00 C ATOM 1075 CG PRO A 66 3.127 -2.744 1.849 1.00 0.00 C ATOM 1076 CD PRO A 66 3.721 -2.161 3.095 1.00 0.00 C ATOM 0 HA PRO A 66 3.774 0.172 0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.423 -1.539 1.359 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.569 -1.727 0.046 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.395 -3.515 2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.894 -3.214 1.234 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.994 -2.096 3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.558 -2.752 3.466 1.00 0.00 H new ATOM 1084 N GLN A 67 1.939 1.679 1.300 1.00 0.00 N ATOM 1085 CA GLN A 67 0.996 2.727 1.665 1.00 0.00 C ATOM 1086 C GLN A 67 -0.339 2.509 0.966 1.00 0.00 C ATOM 1087 O GLN A 67 -0.399 2.425 -0.259 1.00 0.00 O ATOM 1088 CB GLN A 67 1.562 4.096 1.292 1.00 0.00 C ATOM 1089 CG GLN A 67 0.959 5.240 2.086 1.00 0.00 C ATOM 1090 CD GLN A 67 1.929 6.390 2.270 1.00 0.00 C ATOM 1091 OE1 GLN A 67 3.142 6.215 2.162 1.00 0.00 O ATOM 1092 NE2 GLN A 67 1.397 7.573 2.550 1.00 0.00 N ATOM 0 H GLN A 67 2.337 1.779 0.366 1.00 0.00 H new ATOM 0 HA GLN A 67 0.836 2.689 2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.641 4.088 1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.392 4.273 0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.065 5.600 1.577 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.644 4.874 3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.385 7.671 2.630 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.000 8.384 2.685 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.408 2.408 1.744 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.732 2.191 1.179 1.00 0.00 C ATOM 1103 C VAL A 68 -3.534 3.486 1.111 1.00 0.00 C ATOM 1104 O VAL A 68 -3.209 4.468 1.780 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.525 1.143 1.988 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.797 0.748 1.255 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.664 -0.080 2.274 1.00 0.00 C ATOM 0 H VAL A 68 -1.385 2.472 2.762 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.580 1.818 0.166 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.807 1.590 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.341 0.008 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.423 1.629 1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.541 0.323 0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.242 -0.806 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.345 -0.529 1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.787 0.219 2.849 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.586 3.482 0.296 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.429 4.659 0.138 1.00 0.00 C ATOM 1119 C PHE A 69 -6.896 4.268 0.000 1.00 0.00 C ATOM 1120 O PHE A 69 -7.229 3.258 -0.620 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.986 5.459 -1.082 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.665 6.134 -0.894 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.588 7.350 -0.244 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -2.501 5.553 -1.368 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.371 7.980 -0.069 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -1.281 6.176 -1.200 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.216 7.392 -0.550 1.00 0.00 C ATOM 0 H PHE A 69 -4.873 2.678 -0.263 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.323 5.275 1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.928 4.794 -1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.742 6.210 -1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.488 7.813 0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.548 4.601 -1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.322 8.930 0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.380 5.714 -1.576 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.264 7.884 -0.417 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.763 5.071 0.606 1.00 0.00 N ATOM 1138 CA ALA A 70 -9.200 4.817 0.588 1.00 0.00 C ATOM 1139 C ALA A 70 -9.749 4.670 -0.831 1.00 0.00 C ATOM 1140 O ALA A 70 -9.275 5.318 -1.763 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.934 5.931 1.319 1.00 0.00 C ATOM 0 H ALA A 70 -7.494 5.910 1.120 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.367 3.868 1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.006 5.734 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.591 5.976 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.732 6.883 0.828 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.775 3.811 -1.003 1.00 0.00 N ATOM 1148 CA PRO A 71 -11.420 3.579 -2.305 1.00 0.00 C ATOM 1149 C PRO A 71 -11.950 4.867 -2.923 1.00 0.00 C ATOM 1150 O PRO A 71 -12.073 4.977 -4.143 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.581 2.639 -1.958 1.00 0.00 C ATOM 1152 CG PRO A 71 -12.154 1.964 -0.707 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.401 3.008 0.064 1.00 0.00 C ATOM 0 HA PRO A 71 -10.725 3.173 -3.040 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.509 3.192 -1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.760 1.919 -2.756 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.013 1.600 -0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.524 1.101 -0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.064 3.609 0.686 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.657 2.565 0.726 1.00 0.00 H new ATOM 1161 N ASP A 72 -12.269 5.837 -2.073 1.00 0.00 N ATOM 1162 CA ASP A 72 -12.795 7.119 -2.532 1.00 0.00 C ATOM 1163 C ASP A 72 -11.678 8.142 -2.711 1.00 0.00 C ATOM 1164 O ASP A 72 -11.785 9.054 -3.532 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.830 7.649 -1.540 1.00 0.00 C ATOM 1166 CG ASP A 72 -13.312 7.663 -0.115 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -13.090 6.571 0.446 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -13.127 8.769 0.438 1.00 0.00 O ATOM 0 H ASP A 72 -12.173 5.760 -1.060 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.270 6.960 -3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.121 8.659 -1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.727 7.032 -1.591 1.00 0.00 H new ATOM 1173 N GLY A 73 -10.609 7.993 -1.935 1.00 0.00 N ATOM 1174 CA GLY A 73 -9.495 8.915 -2.030 1.00 0.00 C ATOM 1175 C GLY A 73 -9.062 9.451 -0.679 1.00 0.00 C ATOM 1176 O GLY A 73 -9.578 10.465 -0.209 1.00 0.00 O ATOM 0 H GLY A 73 -10.496 7.251 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.652 8.412 -2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.773 9.749 -2.675 1.00 0.00 H new ATOM 1180 N SER A 74 -8.109 8.767 -0.053 1.00 0.00 N ATOM 1181 CA SER A 74 -7.598 9.176 1.251 1.00 0.00 C ATOM 1182 C SER A 74 -6.495 8.230 1.716 1.00 0.00 C ATOM 1183 O SER A 74 -6.345 7.134 1.185 1.00 0.00 O ATOM 1184 CB SER A 74 -8.727 9.209 2.283 1.00 0.00 C ATOM 1185 OG SER A 74 -9.377 10.468 2.288 1.00 0.00 O ATOM 0 H SER A 74 -7.674 7.925 -0.429 1.00 0.00 H new ATOM 0 HA SER A 74 -7.181 10.178 1.153 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.450 8.424 2.061 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.324 9.000 3.274 1.00 0.00 H new ATOM 0 HG SER A 74 -9.643 10.702 1.374 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.725 8.663 2.708 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.636 7.851 3.239 1.00 0.00 C ATOM 1193 C HIS A 75 -5.117 6.970 4.387 1.00 0.00 C ATOM 1194 O HIS A 75 -5.399 7.458 5.481 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.493 8.748 3.718 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.236 7.998 4.030 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.306 8.411 4.957 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.761 6.836 3.515 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.315 7.511 4.975 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.543 6.534 4.119 1.00 0.00 N ATOM 0 H HIS A 75 -5.834 9.571 3.160 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.276 7.206 2.438 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.281 9.493 2.952 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.815 9.289 4.608 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.362 9.254 5.529 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.249 6.241 2.758 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.558 7.577 5.608 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.202 5.668 4.131 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.641 4.720 5.149 1.00 0.00 C ATOM 1210 C ILE A 76 -4.469 4.268 6.006 1.00 0.00 C ATOM 1211 O ILE A 76 -4.513 4.348 7.234 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.298 3.475 4.524 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.357 3.875 3.500 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.906 2.597 5.608 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.893 2.702 2.711 1.00 0.00 C ATOM 0 H ILE A 76 -4.974 5.247 3.231 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.376 5.239 5.764 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.527 2.904 4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.183 4.367 4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.930 4.604 2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.367 1.721 5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.125 2.278 6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.662 3.162 6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.642 3.053 2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.076 2.223 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.348 1.983 3.392 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.422 3.785 5.346 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.246 3.321 6.058 1.00 0.00 C ATOM 1229 C GLY A 77 -1.797 1.948 5.603 1.00 0.00 C ATOM 1230 O GLY A 77 -2.037 1.552 4.463 1.00 0.00 O ATOM 0 H GLY A 77 -3.367 3.707 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.433 4.032 5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.459 3.294 7.127 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.137 1.224 6.497 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.658 -0.107 6.173 1.00 0.00 C ATOM 1236 C GLY A 78 -1.671 -1.180 6.522 1.00 0.00 C ATOM 1237 O GLY A 78 -2.865 -1.013 6.282 1.00 0.00 O ATOM 0 H GLY A 78 -0.924 1.535 7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.427 -0.159 5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.271 -0.298 6.710 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.199 -2.284 7.096 1.00 0.00 N ATOM 1242 CA PHE A 79 -2.089 -3.374 7.480 1.00 0.00 C ATOM 1243 C PHE A 79 -2.850 -3.027 8.751 1.00 0.00 C ATOM 1244 O PHE A 79 -4.053 -2.786 8.708 1.00 0.00 O ATOM 1245 CB PHE A 79 -1.308 -4.676 7.663 1.00 0.00 C ATOM 1246 CG PHE A 79 -2.143 -5.898 7.406 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -3.430 -5.981 7.908 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.647 -6.958 6.669 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -4.206 -7.098 7.683 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.420 -8.076 6.438 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.700 -8.148 6.946 1.00 0.00 C ATOM 0 H PHE A 79 -0.214 -2.446 7.304 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.811 -3.518 6.676 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.452 -4.678 6.988 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.914 -4.718 8.678 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.832 -5.160 8.483 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.644 -6.909 6.271 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.208 -7.151 8.083 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.023 -8.896 5.859 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.305 -9.025 6.767 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.150 -2.984 9.883 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.786 -2.653 11.155 1.00 0.00 C ATOM 1263 C ASP A 80 -3.628 -1.391 11.013 1.00 0.00 C ATOM 1264 O ASP A 80 -4.763 -1.321 11.493 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.730 -2.455 12.246 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.329 -2.476 13.638 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.058 -1.523 13.983 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.071 -3.446 14.380 1.00 0.00 O ATOM 0 H ASP A 80 -1.150 -3.173 9.945 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.435 -3.481 11.440 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.976 -3.238 12.165 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.220 -1.505 12.087 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.061 -0.398 10.339 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.747 0.865 10.113 1.00 0.00 C ATOM 1275 C GLN A 81 -5.017 0.644 9.301 1.00 0.00 C ATOM 1276 O GLN A 81 -6.033 1.300 9.528 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.824 1.846 9.385 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.975 3.284 9.851 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.888 3.699 10.824 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -2.147 3.917 12.007 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -0.660 3.810 10.327 1.00 0.00 N ATOM 0 H GLN A 81 -2.124 -0.445 9.939 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.020 1.287 11.080 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.790 1.533 9.528 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.027 1.797 8.315 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.955 3.946 8.986 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.949 3.408 10.325 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.490 3.620 9.339 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.113 4.086 10.933 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.952 -0.290 8.356 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.099 -0.597 7.513 1.00 0.00 C ATOM 1292 C LEU A 82 -7.098 -1.494 8.231 1.00 0.00 C ATOM 1293 O LEU A 82 -8.306 -1.305 8.103 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.665 -1.240 6.211 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.817 -1.479 5.251 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.509 -0.924 3.877 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.139 -2.952 5.191 1.00 0.00 C ATOM 0 H LEU A 82 -4.119 -0.845 8.157 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.591 0.349 7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.924 -0.604 5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.177 -2.190 6.427 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.695 -0.949 5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.352 -1.110 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.334 0.149 3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.619 -1.411 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.966 -3.116 4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.264 -3.502 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.420 -3.304 6.184 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.603 -2.454 9.009 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.487 -3.341 9.757 1.00 0.00 C ATOM 1311 C ARG A 83 -8.491 -2.504 10.535 1.00 0.00 C ATOM 1312 O ARG A 83 -9.642 -2.898 10.715 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.683 -4.233 10.707 1.00 0.00 C ATOM 1314 CG ARG A 83 -6.887 -5.720 10.465 1.00 0.00 C ATOM 1315 CD ARG A 83 -5.686 -6.529 10.925 1.00 0.00 C ATOM 1316 NE ARG A 83 -5.404 -6.330 12.344 1.00 0.00 N ATOM 1317 CZ ARG A 83 -6.107 -6.891 13.326 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -7.133 -7.686 13.046 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -5.783 -6.658 14.590 1.00 0.00 N ATOM 0 H ARG A 83 -5.607 -2.635 9.136 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.018 -3.989 9.060 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.624 -3.998 10.603 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.962 -3.999 11.735 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.778 -6.057 10.994 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.061 -5.896 9.404 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.868 -7.587 10.736 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.812 -6.246 10.338 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.622 -5.726 12.598 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.386 -7.869 12.075 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.668 -8.113 13.802 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.995 -6.049 14.811 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.322 -7.088 15.342 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.045 -1.325 10.965 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.908 -0.407 11.688 1.00 0.00 C ATOM 1335 C GLU A 84 -9.989 0.110 10.749 1.00 0.00 C ATOM 1336 O GLU A 84 -11.138 0.301 11.148 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.098 0.760 12.258 1.00 0.00 C ATOM 1338 CG GLU A 84 -7.264 0.386 13.473 1.00 0.00 C ATOM 1339 CD GLU A 84 -5.900 1.047 13.467 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -5.773 2.144 12.884 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -4.958 0.467 14.047 1.00 0.00 O ATOM 0 H GLU A 84 -7.093 -0.988 10.823 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.372 -0.935 12.521 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.439 1.148 11.481 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.780 1.566 12.530 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.799 0.672 14.379 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.139 -0.696 13.505 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.614 0.302 9.485 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.547 0.758 8.471 1.00 0.00 C ATOM 1350 C TYR A 85 -11.640 -0.289 8.284 1.00 0.00 C ATOM 1351 O TYR A 85 -12.799 0.037 8.036 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.801 0.988 7.155 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.602 1.716 6.100 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.689 1.113 5.485 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.258 3.004 5.710 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.412 1.772 4.511 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.977 3.671 4.739 1.00 0.00 C ATOM 1358 CZ TYR A 85 -12.053 3.051 4.141 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.772 3.712 3.172 1.00 0.00 O ATOM 0 H TYR A 85 -8.665 0.146 9.144 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.004 1.697 8.785 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.894 1.556 7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.489 0.023 6.755 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.974 0.112 5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.414 3.492 6.174 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.255 1.288 4.041 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.698 4.673 4.449 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.389 4.603 3.031 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.246 -1.554 8.426 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.164 -2.681 8.286 1.00 0.00 C ATOM 1371 C PHE A 86 -12.819 -3.034 9.621 1.00 0.00 C ATOM 1372 O PHE A 86 -13.881 -3.654 9.654 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.409 -3.896 7.732 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.236 -3.867 6.239 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.275 -3.460 5.414 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.033 -4.231 5.661 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.113 -3.419 4.045 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.867 -4.190 4.290 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.907 -3.783 3.481 1.00 0.00 C ATOM 0 H PHE A 86 -10.286 -1.824 8.640 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.954 -2.394 7.592 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.427 -3.949 8.202 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.945 -4.804 8.010 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.221 -3.172 5.849 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.214 -4.551 6.289 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.930 -3.102 3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.922 -4.477 3.852 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.778 -3.749 2.409 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.180 -2.637 10.718 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.704 -2.915 12.050 1.00 0.00 C ATOM 1391 C LYS A 87 -12.898 -4.413 12.259 1.00 0.00 C ATOM 1392 O LYS A 87 -13.383 -4.801 13.344 1.00 0.00 O ATOM 1393 CB LYS A 87 -14.030 -2.182 12.260 1.00 0.00 C ATOM 1394 CG LYS A 87 -13.865 -0.700 12.556 1.00 0.00 C ATOM 1395 CD LYS A 87 -14.895 -0.214 13.561 1.00 0.00 C ATOM 1396 CE LYS A 87 -16.225 0.096 12.892 1.00 0.00 C ATOM 1397 NZ LYS A 87 -17.215 0.654 13.853 1.00 0.00 N ATOM 1398 OXT LYS A 87 -12.566 -5.187 11.337 1.00 0.00 O ATOM 0 H LYS A 87 -11.299 -2.122 10.710 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.978 -2.558 12.781 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.646 -2.300 11.368 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.568 -2.651 13.084 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.863 -0.515 12.942 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.961 -0.131 11.631 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.041 -0.973 14.329 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.522 0.679 14.062 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.066 0.807 12.081 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.627 -0.813 12.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.107 0.851 13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.387 -0.034 14.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.844 1.535 14.261 1.00 0.00 H new