USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 716 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 6 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.088 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 166:sc= -0.131 (180deg=-0.48) USER MOD Single : A 13 SER OG : rot 180:sc= -0.138 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS :FLIP no HE2:sc= -3.73! F(o=-4.4,f=-3.7!) USER MOD Single : A 25 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.53) USER MOD Single : A 30 ASN : amide:sc= 0.177 X(o=0.18,f=-0.074) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 70:sc= 0.232 USER MOD Single : A 41 GLN :FLIP amide:sc= -2.81 F(o=-3.5!,f=-2.8) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.106) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= -0.0463 (180deg=-0.32) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.391 X(o=-0.39,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -1 F(o=-1.6,f=-1) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.503 K(o=-0.5,f=-1.1) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= -0.119 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.221 13.757 -18.251 1.00 0.00 N ATOM 2 CA GLY A 1 0.822 12.519 -18.713 1.00 0.00 C ATOM 3 C GLY A 1 -0.126 11.696 -19.562 1.00 0.00 C ATOM 4 O GLY A 1 -1.288 12.062 -19.739 1.00 0.00 O ATOM 0 H1 GLY A 1 0.783 14.564 -18.591 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.749 13.831 -18.620 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.198 13.765 -17.211 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.718 12.747 -19.291 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.139 11.930 -17.853 1.00 0.00 H new ATOM 8 N SER A 2 0.370 10.582 -20.090 1.00 0.00 N ATOM 9 CA SER A 2 -0.440 9.708 -20.930 1.00 0.00 C ATOM 10 C SER A 2 -0.963 8.519 -20.131 1.00 0.00 C ATOM 11 O SER A 2 -0.375 8.127 -19.123 1.00 0.00 O ATOM 12 CB SER A 2 0.378 9.213 -22.125 1.00 0.00 C ATOM 13 OG SER A 2 1.328 8.241 -21.726 1.00 0.00 O ATOM 0 H SER A 2 1.329 10.263 -19.951 1.00 0.00 H new ATOM 0 HA SER A 2 -1.292 10.282 -21.294 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.289 8.788 -22.875 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.889 10.054 -22.593 1.00 0.00 H new ATOM 0 HG SER A 2 1.836 7.940 -22.508 1.00 0.00 H new ATOM 19 N SER A 3 -2.074 7.949 -20.588 1.00 0.00 N ATOM 20 CA SER A 3 -2.680 6.807 -19.914 1.00 0.00 C ATOM 21 C SER A 3 -2.810 5.621 -20.865 1.00 0.00 C ATOM 22 O SER A 3 -3.622 5.637 -21.789 1.00 0.00 O ATOM 23 CB SER A 3 -4.056 7.185 -19.362 1.00 0.00 C ATOM 24 OG SER A 3 -4.737 6.046 -18.864 1.00 0.00 O ATOM 0 H SER A 3 -2.572 8.260 -21.422 1.00 0.00 H new ATOM 0 HA SER A 3 -2.031 6.518 -19.087 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.942 7.921 -18.566 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.650 7.653 -20.147 1.00 0.00 H new ATOM 0 HG SER A 3 -5.613 6.315 -18.516 1.00 0.00 H new ATOM 30 N GLY A 4 -2.002 4.591 -20.630 1.00 0.00 N ATOM 31 CA GLY A 4 -2.040 3.411 -21.474 1.00 0.00 C ATOM 32 C GLY A 4 -3.089 2.412 -21.025 1.00 0.00 C ATOM 33 O GLY A 4 -3.489 2.402 -19.861 1.00 0.00 O ATOM 0 H GLY A 4 -1.322 4.553 -19.870 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.243 3.710 -22.502 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.061 2.932 -21.469 1.00 0.00 H new ATOM 37 N SER A 5 -3.537 1.571 -21.952 1.00 0.00 N ATOM 38 CA SER A 5 -4.550 0.567 -21.647 1.00 0.00 C ATOM 39 C SER A 5 -3.946 -0.594 -20.862 1.00 0.00 C ATOM 40 O SER A 5 -3.640 -1.645 -21.425 1.00 0.00 O ATOM 41 CB SER A 5 -5.189 0.048 -22.937 1.00 0.00 C ATOM 42 OG SER A 5 -6.000 1.042 -23.540 1.00 0.00 O ATOM 0 H SER A 5 -3.215 1.565 -22.920 1.00 0.00 H new ATOM 0 HA SER A 5 -5.318 1.037 -21.033 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.410 -0.262 -23.633 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.791 -0.834 -22.719 1.00 0.00 H new ATOM 0 HG SER A 5 -6.395 0.686 -24.363 1.00 0.00 H new ATOM 48 N SER A 6 -3.778 -0.395 -19.559 1.00 0.00 N ATOM 49 CA SER A 6 -3.207 -1.423 -18.697 1.00 0.00 C ATOM 50 C SER A 6 -4.252 -1.954 -17.720 1.00 0.00 C ATOM 51 O SER A 6 -4.902 -1.186 -17.011 1.00 0.00 O ATOM 52 CB SER A 6 -2.009 -0.864 -17.926 1.00 0.00 C ATOM 53 OG SER A 6 -1.441 -1.850 -17.082 1.00 0.00 O ATOM 0 H SER A 6 -4.029 0.468 -19.077 1.00 0.00 H new ATOM 0 HA SER A 6 -2.872 -2.247 -19.327 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.257 -0.504 -18.628 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.324 -0.008 -17.330 1.00 0.00 H new ATOM 0 HG SER A 6 -0.589 -1.523 -16.725 1.00 0.00 H new ATOM 59 N GLY A 7 -4.407 -3.274 -17.688 1.00 0.00 N ATOM 60 CA GLY A 7 -5.374 -3.886 -16.796 1.00 0.00 C ATOM 61 C GLY A 7 -4.887 -3.936 -15.361 1.00 0.00 C ATOM 62 O GLY A 7 -5.622 -3.587 -14.437 1.00 0.00 O ATOM 0 H GLY A 7 -3.880 -3.930 -18.264 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.309 -3.328 -16.840 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.591 -4.898 -17.139 1.00 0.00 H new ATOM 66 N ILE A 8 -3.647 -4.374 -15.173 1.00 0.00 N ATOM 67 CA ILE A 8 -3.064 -4.469 -13.841 1.00 0.00 C ATOM 68 C ILE A 8 -3.284 -3.183 -13.052 1.00 0.00 C ATOM 69 O ILE A 8 -2.611 -2.177 -13.282 1.00 0.00 O ATOM 70 CB ILE A 8 -1.555 -4.767 -13.906 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.304 -6.084 -14.643 1.00 0.00 C ATOM 72 CG2 ILE A 8 -0.964 -4.816 -12.505 1.00 0.00 C ATOM 73 CD1 ILE A 8 -1.656 -7.309 -13.828 1.00 0.00 C ATOM 0 H ILE A 8 -3.026 -4.669 -15.927 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.566 -5.293 -13.335 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.065 -3.965 -14.458 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.885 -6.092 -15.565 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.253 -6.137 -14.928 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.103 -5.028 -12.568 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.115 -3.855 -12.013 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.456 -5.600 -11.930 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.453 -8.206 -14.413 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.056 -7.325 -12.918 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.713 -7.279 -13.565 1.00 0.00 H new ATOM 85 N LYS A 9 -4.228 -3.221 -12.118 1.00 0.00 N ATOM 86 CA LYS A 9 -4.536 -2.061 -11.291 1.00 0.00 C ATOM 87 C LYS A 9 -3.260 -1.431 -10.742 1.00 0.00 C ATOM 88 O LYS A 9 -2.301 -2.130 -10.413 1.00 0.00 O ATOM 89 CB LYS A 9 -5.458 -2.460 -10.137 1.00 0.00 C ATOM 90 CG LYS A 9 -5.822 -1.305 -9.221 1.00 0.00 C ATOM 91 CD LYS A 9 -7.022 -0.534 -9.747 1.00 0.00 C ATOM 92 CE LYS A 9 -8.324 -1.260 -9.450 1.00 0.00 C ATOM 93 NZ LYS A 9 -8.792 -1.015 -8.057 1.00 0.00 N ATOM 0 H LYS A 9 -4.794 -4.045 -11.915 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.044 -1.326 -11.915 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.372 -2.890 -10.546 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.974 -3.240 -9.549 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.041 -1.686 -8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.970 -0.633 -9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.046 0.457 -9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.921 -0.391 -10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.090 -0.933 -10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.186 -2.330 -9.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.682 -1.527 -7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.072 -1.350 -7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.949 0.004 -7.917 1.00 0.00 H new ATOM 107 N LYS A 10 -3.254 -0.106 -10.643 1.00 0.00 N ATOM 108 CA LYS A 10 -2.098 0.619 -10.131 1.00 0.00 C ATOM 109 C LYS A 10 -2.444 1.352 -8.838 1.00 0.00 C ATOM 110 O LYS A 10 -3.565 1.821 -8.644 1.00 0.00 O ATOM 111 CB LYS A 10 -1.591 1.616 -11.175 1.00 0.00 C ATOM 112 CG LYS A 10 -2.535 2.783 -11.411 1.00 0.00 C ATOM 113 CD LYS A 10 -1.826 3.948 -12.080 1.00 0.00 C ATOM 114 CE LYS A 10 -1.687 3.729 -13.579 1.00 0.00 C ATOM 115 NZ LYS A 10 -0.765 4.720 -14.200 1.00 0.00 N ATOM 0 H LYS A 10 -4.038 0.488 -10.911 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.312 -0.105 -9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.623 2.002 -10.857 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.431 1.092 -12.118 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.369 2.458 -12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.956 3.110 -10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.381 4.868 -11.895 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.839 4.077 -11.637 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.317 2.721 -13.766 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.668 3.801 -14.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.697 4.538 -15.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.131 5.681 -14.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.178 4.635 -13.769 1.00 0.00 H new ATOM 129 N PRO A 11 -1.459 1.455 -7.934 1.00 0.00 N ATOM 130 CA PRO A 11 -1.635 2.132 -6.646 1.00 0.00 C ATOM 131 C PRO A 11 -1.785 3.642 -6.800 1.00 0.00 C ATOM 132 O PRO A 11 -2.031 4.142 -7.897 1.00 0.00 O ATOM 133 CB PRO A 11 -0.347 1.797 -5.890 1.00 0.00 C ATOM 134 CG PRO A 11 0.661 1.536 -6.955 1.00 0.00 C ATOM 135 CD PRO A 11 -0.097 0.920 -8.099 1.00 0.00 C ATOM 0 HA PRO A 11 -2.542 1.807 -6.136 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.039 2.622 -5.247 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.480 0.926 -5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.151 2.459 -7.264 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.442 0.865 -6.598 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.331 1.200 -9.062 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.084 -0.169 -8.049 1.00 0.00 H new ATOM 143 N MET A 12 -1.634 4.363 -5.693 1.00 0.00 N ATOM 144 CA MET A 12 -1.752 5.817 -5.707 1.00 0.00 C ATOM 145 C MET A 12 -0.384 6.471 -5.872 1.00 0.00 C ATOM 146 O MET A 12 0.244 6.874 -4.893 1.00 0.00 O ATOM 147 CB MET A 12 -2.413 6.308 -4.418 1.00 0.00 C ATOM 148 CG MET A 12 -3.803 5.737 -4.192 1.00 0.00 C ATOM 149 SD MET A 12 -4.764 6.697 -3.006 1.00 0.00 S ATOM 150 CE MET A 12 -5.134 8.157 -3.974 1.00 0.00 C ATOM 0 H MET A 12 -1.430 3.965 -4.776 1.00 0.00 H new ATOM 0 HA MET A 12 -2.375 6.099 -6.556 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.779 6.045 -3.571 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.476 7.396 -4.443 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.336 5.702 -5.142 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.716 4.710 -3.837 1.00 0.00 H new ATOM 0 HE1 MET A 12 -5.919 8.731 -3.482 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.238 8.771 -4.063 1.00 0.00 H new ATOM 0 HE3 MET A 12 -5.471 7.859 -4.967 1.00 0.00 H new ATOM 160 N SER A 13 0.073 6.572 -7.117 1.00 0.00 N ATOM 161 CA SER A 13 1.368 7.174 -7.409 1.00 0.00 C ATOM 162 C SER A 13 1.439 8.600 -6.871 1.00 0.00 C ATOM 163 O SER A 13 0.431 9.167 -6.450 1.00 0.00 O ATOM 164 CB SER A 13 1.626 7.172 -8.917 1.00 0.00 C ATOM 165 OG SER A 13 2.947 7.595 -9.209 1.00 0.00 O ATOM 0 H SER A 13 -0.435 6.245 -7.939 1.00 0.00 H new ATOM 0 HA SER A 13 2.137 6.580 -6.915 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.465 6.170 -9.315 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.912 7.830 -9.412 1.00 0.00 H new ATOM 0 HG SER A 13 3.087 7.583 -10.179 1.00 0.00 H new ATOM 171 N ALA A 14 2.638 9.173 -6.889 1.00 0.00 N ATOM 172 CA ALA A 14 2.841 10.533 -6.405 1.00 0.00 C ATOM 173 C ALA A 14 1.812 11.487 -7.001 1.00 0.00 C ATOM 174 O ALA A 14 1.548 12.555 -6.448 1.00 0.00 O ATOM 175 CB ALA A 14 4.251 11.004 -6.731 1.00 0.00 C ATOM 0 H ALA A 14 3.483 8.717 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 14 2.711 10.530 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.389 12.021 -6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.975 10.344 -6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.401 10.984 -7.811 1.00 0.00 H new ATOM 181 N SER A 15 1.233 11.096 -8.132 1.00 0.00 N ATOM 182 CA SER A 15 0.236 11.919 -8.805 1.00 0.00 C ATOM 183 C SER A 15 -1.071 11.942 -8.018 1.00 0.00 C ATOM 184 O SER A 15 -1.552 13.004 -7.624 1.00 0.00 O ATOM 185 CB SER A 15 -0.017 11.395 -10.220 1.00 0.00 C ATOM 186 OG SER A 15 1.198 11.246 -10.934 1.00 0.00 O ATOM 0 H SER A 15 1.438 10.214 -8.601 1.00 0.00 H new ATOM 0 HA SER A 15 0.622 12.937 -8.865 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.532 10.436 -10.169 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.674 12.082 -10.753 1.00 0.00 H new ATOM 0 HG SER A 15 1.009 10.908 -11.834 1.00 0.00 H new ATOM 192 N ALA A 16 -1.639 10.762 -7.793 1.00 0.00 N ATOM 193 CA ALA A 16 -2.889 10.645 -7.051 1.00 0.00 C ATOM 194 C ALA A 16 -2.738 11.184 -5.632 1.00 0.00 C ATOM 195 O ALA A 16 -3.590 11.929 -5.146 1.00 0.00 O ATOM 196 CB ALA A 16 -3.351 9.196 -7.021 1.00 0.00 C ATOM 0 H ALA A 16 -1.254 9.874 -8.114 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.643 11.245 -7.561 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.285 9.123 -6.464 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.508 8.843 -8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.591 8.582 -6.537 1.00 0.00 H new ATOM 202 N LEU A 17 -1.649 10.803 -4.973 1.00 0.00 N ATOM 203 CA LEU A 17 -1.386 11.247 -3.609 1.00 0.00 C ATOM 204 C LEU A 17 -1.588 12.754 -3.478 1.00 0.00 C ATOM 205 O LEU A 17 -2.329 13.219 -2.612 1.00 0.00 O ATOM 206 CB LEU A 17 0.038 10.874 -3.195 1.00 0.00 C ATOM 207 CG LEU A 17 0.383 9.385 -3.242 1.00 0.00 C ATOM 208 CD1 LEU A 17 1.864 9.171 -2.973 1.00 0.00 C ATOM 209 CD2 LEU A 17 -0.460 8.611 -2.239 1.00 0.00 C ATOM 0 H LEU A 17 -0.934 10.188 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.093 10.745 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.734 11.408 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.206 11.233 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 17 0.159 9.011 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.090 8.105 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.450 9.693 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.115 9.561 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.201 7.553 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.267 8.987 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.516 8.737 -2.477 1.00 0.00 H new ATOM 221 N PHE A 18 -0.925 13.511 -4.346 1.00 0.00 N ATOM 222 CA PHE A 18 -1.032 14.966 -4.329 1.00 0.00 C ATOM 223 C PHE A 18 -2.483 15.406 -4.500 1.00 0.00 C ATOM 224 O PHE A 18 -2.921 16.387 -3.899 1.00 0.00 O ATOM 225 CB PHE A 18 -0.169 15.575 -5.435 1.00 0.00 C ATOM 226 CG PHE A 18 -0.289 17.069 -5.535 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.306 17.647 -6.276 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.617 17.895 -4.888 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.420 19.022 -6.370 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.508 19.269 -4.978 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.511 19.834 -5.721 1.00 0.00 C ATOM 0 H PHE A 18 -0.308 13.142 -5.070 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.674 15.321 -3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.874 15.313 -5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.450 15.131 -6.390 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.019 17.016 -6.787 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.417 17.459 -4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.219 19.460 -6.950 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.219 19.902 -4.468 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.596 20.908 -5.794 1.00 0.00 H new ATOM 241 N VAL A 19 -3.224 14.673 -5.325 1.00 0.00 N ATOM 242 CA VAL A 19 -4.626 14.987 -5.577 1.00 0.00 C ATOM 243 C VAL A 19 -5.479 14.719 -4.342 1.00 0.00 C ATOM 244 O VAL A 19 -6.336 15.526 -3.981 1.00 0.00 O ATOM 245 CB VAL A 19 -5.181 14.168 -6.757 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.659 14.464 -6.964 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.389 14.456 -8.024 1.00 0.00 C ATOM 0 H VAL A 19 -2.877 13.858 -5.830 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.673 16.047 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.076 13.109 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.034 13.876 -7.802 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.212 14.203 -6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.791 15.525 -7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.795 13.869 -8.848 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.460 15.517 -8.265 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.344 14.189 -7.868 1.00 0.00 H new ATOM 257 N GLN A 20 -5.237 13.583 -3.697 1.00 0.00 N ATOM 258 CA GLN A 20 -5.984 13.209 -2.501 1.00 0.00 C ATOM 259 C GLN A 20 -5.632 14.123 -1.332 1.00 0.00 C ATOM 260 O GLN A 20 -6.441 14.329 -0.427 1.00 0.00 O ATOM 261 CB GLN A 20 -5.697 11.753 -2.130 1.00 0.00 C ATOM 262 CG GLN A 20 -6.390 11.303 -0.853 1.00 0.00 C ATOM 263 CD GLN A 20 -6.058 9.871 -0.483 1.00 0.00 C ATOM 264 OE1 GLN A 20 -6.874 8.966 -0.665 1.00 0.00 O ATOM 265 NE2 GLN A 20 -4.857 9.658 0.039 1.00 0.00 N ATOM 0 H GLN A 20 -4.530 12.905 -3.982 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.047 13.319 -2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.012 11.109 -2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.621 11.621 -2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.100 11.962 -0.035 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.469 11.402 -0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.213 10.438 0.172 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.578 8.714 0.307 1.00 0.00 H new ATOM 274 N ASP A 21 -4.421 14.669 -1.358 1.00 0.00 N ATOM 275 CA ASP A 21 -3.963 15.562 -0.300 1.00 0.00 C ATOM 276 C ASP A 21 -4.678 16.907 -0.377 1.00 0.00 C ATOM 277 O ASP A 21 -5.249 17.375 0.609 1.00 0.00 O ATOM 278 CB ASP A 21 -2.451 15.769 -0.398 1.00 0.00 C ATOM 279 CG ASP A 21 -1.669 14.641 0.248 1.00 0.00 C ATOM 280 OD1 ASP A 21 -2.047 13.467 0.050 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.679 14.933 0.951 1.00 0.00 O ATOM 0 H ASP A 21 -3.739 14.509 -2.100 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.198 15.100 0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.166 15.851 -1.447 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.185 16.712 0.079 1.00 0.00 H new ATOM 286 N HIS A 22 -4.643 17.525 -1.553 1.00 0.00 N ATOM 287 CA HIS A 22 -5.288 18.817 -1.758 1.00 0.00 C ATOM 288 C HIS A 22 -6.716 18.637 -2.263 1.00 0.00 C ATOM 289 O HIS A 22 -7.374 19.603 -2.650 1.00 0.00 O ATOM 290 CB HIS A 22 -4.486 19.659 -2.751 1.00 0.00 C ATOM 291 CG HIS A 22 -3.023 19.724 -2.437 1.00 0.00 C ATOM 292 ND1 HIS A 22 -1.952 19.232 -3.102 1.00 0.00 N flip ATOM 293 CD2 HIS A 22 -2.521 20.353 -1.317 1.00 0.00 C flip ATOM 294 CE1 HIS A 22 -0.834 19.571 -2.380 1.00 0.00 C flip ATOM 295 NE2 HIS A 22 -1.204 20.247 -1.308 1.00 0.00 N flip ATOM 0 H HIS A 22 -4.175 17.152 -2.379 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.323 19.334 -0.799 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.616 19.248 -3.752 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.891 20.671 -2.767 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -1.971 18.707 -3.976 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.112 20.854 -0.565 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.183 19.324 -2.646 1.00 0.00 H new ATOM 304 N ARG A 23 -7.189 17.395 -2.257 1.00 0.00 N ATOM 305 CA ARG A 23 -8.539 17.089 -2.716 1.00 0.00 C ATOM 306 C ARG A 23 -9.581 17.752 -1.821 1.00 0.00 C ATOM 307 O ARG A 23 -10.390 18.566 -2.267 1.00 0.00 O ATOM 308 CB ARG A 23 -8.761 15.575 -2.741 1.00 0.00 C ATOM 309 CG ARG A 23 -10.189 15.164 -2.423 1.00 0.00 C ATOM 310 CD ARG A 23 -10.346 13.652 -2.419 1.00 0.00 C ATOM 311 NE ARG A 23 -9.963 13.066 -1.137 1.00 0.00 N ATOM 312 CZ ARG A 23 -10.779 12.988 -0.092 1.00 0.00 C ATOM 313 NH1 ARG A 23 -12.016 13.456 -0.176 1.00 0.00 N ATOM 314 NH2 ARG A 23 -10.357 12.440 1.041 1.00 0.00 N ATOM 0 H ARG A 23 -6.658 16.584 -1.939 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.650 17.483 -3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.493 15.193 -3.726 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.088 15.106 -2.023 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.475 15.563 -1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.866 15.599 -3.158 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.382 13.394 -2.641 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.734 13.222 -3.212 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.017 12.697 -1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.344 13.878 -1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.640 13.395 0.628 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.406 12.079 1.109 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.984 12.380 1.843 1.00 0.00 H new ATOM 328 N PRO A 24 -9.563 17.397 -0.528 1.00 0.00 N ATOM 329 CA PRO A 24 -10.500 17.946 0.457 1.00 0.00 C ATOM 330 C PRO A 24 -10.231 19.417 0.756 1.00 0.00 C ATOM 331 O PRO A 24 -11.160 20.217 0.865 1.00 0.00 O ATOM 332 CB PRO A 24 -10.246 17.093 1.702 1.00 0.00 C ATOM 333 CG PRO A 24 -8.846 16.608 1.550 1.00 0.00 C ATOM 334 CD PRO A 24 -8.626 16.433 0.073 1.00 0.00 C ATOM 0 HA PRO A 24 -11.530 17.912 0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.365 17.678 2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.949 16.262 1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.138 17.323 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.699 15.667 2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.595 16.647 -0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.839 15.413 -0.247 1.00 0.00 H new ATOM 342 N GLN A 25 -8.955 19.766 0.887 1.00 0.00 N ATOM 343 CA GLN A 25 -8.565 21.142 1.173 1.00 0.00 C ATOM 344 C GLN A 25 -9.211 22.107 0.186 1.00 0.00 C ATOM 345 O GLN A 25 -9.753 23.141 0.577 1.00 0.00 O ATOM 346 CB GLN A 25 -7.043 21.284 1.122 1.00 0.00 C ATOM 347 CG GLN A 25 -6.359 20.988 2.447 1.00 0.00 C ATOM 348 CD GLN A 25 -6.958 21.770 3.600 1.00 0.00 C ATOM 349 OE1 GLN A 25 -7.667 21.214 4.440 1.00 0.00 O ATOM 350 NE2 GLN A 25 -6.676 23.067 3.646 1.00 0.00 N ATOM 0 H GLN A 25 -8.174 19.116 0.800 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.912 21.391 2.176 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.649 20.610 0.361 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.791 22.298 0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.432 19.921 2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.298 21.224 2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.084 23.486 2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.051 23.644 4.399 1.00 0.00 H new ATOM 359 N PHE A 26 -9.150 21.764 -1.097 1.00 0.00 N ATOM 360 CA PHE A 26 -9.729 22.601 -2.141 1.00 0.00 C ATOM 361 C PHE A 26 -11.195 22.902 -1.847 1.00 0.00 C ATOM 362 O PHE A 26 -11.594 24.063 -1.742 1.00 0.00 O ATOM 363 CB PHE A 26 -9.600 21.916 -3.503 1.00 0.00 C ATOM 364 CG PHE A 26 -9.609 22.875 -4.659 1.00 0.00 C ATOM 365 CD1 PHE A 26 -8.432 23.452 -5.107 1.00 0.00 C ATOM 366 CD2 PHE A 26 -10.795 23.200 -5.298 1.00 0.00 C ATOM 367 CE1 PHE A 26 -8.436 24.334 -6.171 1.00 0.00 C ATOM 368 CE2 PHE A 26 -10.806 24.081 -6.363 1.00 0.00 C ATOM 369 CZ PHE A 26 -9.625 24.650 -6.799 1.00 0.00 C ATOM 0 H PHE A 26 -8.705 20.912 -1.438 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.181 23.543 -2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.674 21.341 -3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.419 21.207 -3.623 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.500 23.210 -4.619 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.721 22.760 -4.960 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.511 24.776 -6.511 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.737 24.324 -6.854 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.631 25.341 -7.629 1.00 0.00 H new ATOM 379 N LEU A 27 -11.994 21.849 -1.716 1.00 0.00 N ATOM 380 CA LEU A 27 -13.418 21.999 -1.434 1.00 0.00 C ATOM 381 C LEU A 27 -13.638 22.744 -0.122 1.00 0.00 C ATOM 382 O LEU A 27 -14.294 23.785 -0.090 1.00 0.00 O ATOM 383 CB LEU A 27 -14.093 20.628 -1.375 1.00 0.00 C ATOM 384 CG LEU A 27 -14.211 19.880 -2.704 1.00 0.00 C ATOM 385 CD1 LEU A 27 -14.275 18.379 -2.467 1.00 0.00 C ATOM 386 CD2 LEU A 27 -15.435 20.352 -3.474 1.00 0.00 C ATOM 0 H LEU A 27 -11.681 20.882 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.863 22.582 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.538 20.002 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.094 20.755 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.325 20.096 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.359 17.863 -3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.369 18.052 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.143 18.145 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.503 19.809 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.331 20.166 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.349 21.420 -3.675 1.00 0.00 H new ATOM 398 N ILE A 28 -13.083 22.205 0.959 1.00 0.00 N ATOM 399 CA ILE A 28 -13.216 22.821 2.273 1.00 0.00 C ATOM 400 C ILE A 28 -13.233 24.342 2.168 1.00 0.00 C ATOM 401 O ILE A 28 -14.193 24.991 2.582 1.00 0.00 O ATOM 402 CB ILE A 28 -12.072 22.395 3.213 1.00 0.00 C ATOM 403 CG1 ILE A 28 -12.254 20.939 3.645 1.00 0.00 C ATOM 404 CG2 ILE A 28 -12.015 23.311 4.426 1.00 0.00 C ATOM 405 CD1 ILE A 28 -11.087 20.395 4.440 1.00 0.00 C ATOM 0 H ILE A 28 -12.537 21.343 0.950 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.163 22.477 2.688 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.128 22.479 2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -13.161 20.857 4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.400 20.321 2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.202 22.998 5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.843 24.337 4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.959 23.256 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.284 19.358 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.181 20.445 3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.954 20.989 5.344 1.00 0.00 H new ATOM 417 N GLU A 29 -12.165 24.904 1.611 1.00 0.00 N ATOM 418 CA GLU A 29 -12.058 26.349 1.451 1.00 0.00 C ATOM 419 C GLU A 29 -13.010 26.848 0.368 1.00 0.00 C ATOM 420 O GLU A 29 -13.634 27.899 0.511 1.00 0.00 O ATOM 421 CB GLU A 29 -10.621 26.741 1.102 1.00 0.00 C ATOM 422 CG GLU A 29 -9.670 26.681 2.285 1.00 0.00 C ATOM 423 CD GLU A 29 -9.059 25.306 2.474 1.00 0.00 C ATOM 424 OE1 GLU A 29 -8.305 24.865 1.582 1.00 0.00 O ATOM 425 OE2 GLU A 29 -9.336 24.671 3.513 1.00 0.00 O ATOM 0 H GLU A 29 -11.362 24.380 1.263 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.334 26.815 2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.253 26.080 0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.618 27.752 0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.874 27.412 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.205 26.964 3.191 1.00 0.00 H new ATOM 432 N ASN A 30 -13.116 26.086 -0.716 1.00 0.00 N ATOM 433 CA ASN A 30 -13.991 26.451 -1.825 1.00 0.00 C ATOM 434 C ASN A 30 -15.111 25.429 -1.992 1.00 0.00 C ATOM 435 O ASN A 30 -15.097 24.599 -2.901 1.00 0.00 O ATOM 436 CB ASN A 30 -13.186 26.559 -3.122 1.00 0.00 C ATOM 437 CG ASN A 30 -11.822 27.186 -2.906 1.00 0.00 C ATOM 438 OD1 ASN A 30 -11.706 28.396 -2.714 1.00 0.00 O ATOM 439 ND2 ASN A 30 -10.782 26.361 -2.936 1.00 0.00 N ATOM 0 H ASN A 30 -12.607 25.212 -0.850 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.437 27.420 -1.600 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.062 25.566 -3.553 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.745 27.153 -3.845 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.839 26.724 -2.797 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.926 25.364 -3.098 1.00 0.00 H new ATOM 446 N PRO A 31 -16.107 25.491 -1.095 1.00 0.00 N ATOM 447 CA PRO A 31 -17.255 24.580 -1.123 1.00 0.00 C ATOM 448 C PRO A 31 -18.176 24.844 -2.309 1.00 0.00 C ATOM 449 O PRO A 31 -18.987 23.995 -2.679 1.00 0.00 O ATOM 450 CB PRO A 31 -17.978 24.880 0.192 1.00 0.00 C ATOM 451 CG PRO A 31 -17.592 26.280 0.526 1.00 0.00 C ATOM 452 CD PRO A 31 -16.189 26.456 0.015 1.00 0.00 C ATOM 0 HA PRO A 31 -16.947 23.540 -1.229 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.058 24.783 0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.675 24.188 0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.270 26.994 0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.640 26.452 1.601 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.010 27.476 -0.325 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.450 26.244 0.788 1.00 0.00 H new ATOM 460 N LYS A 32 -18.045 26.025 -2.903 1.00 0.00 N ATOM 461 CA LYS A 32 -18.864 26.401 -4.049 1.00 0.00 C ATOM 462 C LYS A 32 -18.532 25.537 -5.262 1.00 0.00 C ATOM 463 O LYS A 32 -19.325 25.430 -6.198 1.00 0.00 O ATOM 464 CB LYS A 32 -18.654 27.878 -4.389 1.00 0.00 C ATOM 465 CG LYS A 32 -17.206 28.237 -4.677 1.00 0.00 C ATOM 466 CD LYS A 32 -17.100 29.498 -5.517 1.00 0.00 C ATOM 467 CE LYS A 32 -17.124 30.748 -4.652 1.00 0.00 C ATOM 468 NZ LYS A 32 -17.564 31.946 -5.419 1.00 0.00 N ATOM 0 H LYS A 32 -17.379 26.739 -2.609 1.00 0.00 H new ATOM 0 HA LYS A 32 -19.909 26.240 -3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -19.262 28.132 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -19.012 28.487 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.672 28.379 -3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.722 27.411 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -16.177 29.473 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -17.924 29.532 -6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -17.794 30.592 -3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.130 30.925 -4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -17.567 32.777 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.910 32.111 -6.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -18.523 31.788 -5.789 1.00 0.00 H new ATOM 482 N THR A 33 -17.354 24.920 -5.239 1.00 0.00 N ATOM 483 CA THR A 33 -16.917 24.065 -6.336 1.00 0.00 C ATOM 484 C THR A 33 -17.333 22.617 -6.103 1.00 0.00 C ATOM 485 O THR A 33 -17.366 22.146 -4.966 1.00 0.00 O ATOM 486 CB THR A 33 -15.390 24.126 -6.521 1.00 0.00 C ATOM 487 OG1 THR A 33 -14.942 25.485 -6.457 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.981 23.515 -7.853 1.00 0.00 C ATOM 0 H THR A 33 -16.686 24.997 -4.472 1.00 0.00 H new ATOM 0 HA THR A 33 -17.400 24.438 -7.240 1.00 0.00 H new ATOM 0 HB THR A 33 -14.926 23.553 -5.718 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.969 25.515 -6.574 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.898 23.570 -7.961 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.297 22.472 -7.887 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.455 24.065 -8.666 1.00 0.00 H new ATOM 496 N SER A 34 -17.647 21.915 -7.187 1.00 0.00 N ATOM 497 CA SER A 34 -18.063 20.520 -7.100 1.00 0.00 C ATOM 498 C SER A 34 -16.864 19.610 -6.851 1.00 0.00 C ATOM 499 O SER A 34 -15.737 20.079 -6.687 1.00 0.00 O ATOM 500 CB SER A 34 -18.780 20.099 -8.384 1.00 0.00 C ATOM 501 OG SER A 34 -20.116 20.570 -8.400 1.00 0.00 O ATOM 0 H SER A 34 -17.621 22.289 -8.136 1.00 0.00 H new ATOM 0 HA SER A 34 -18.751 20.423 -6.260 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.243 20.489 -9.249 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.773 19.012 -8.468 1.00 0.00 H new ATOM 0 HG SER A 34 -20.552 20.289 -9.232 1.00 0.00 H new ATOM 507 N LEU A 35 -17.115 18.306 -6.824 1.00 0.00 N ATOM 508 CA LEU A 35 -16.057 17.328 -6.596 1.00 0.00 C ATOM 509 C LEU A 35 -15.123 17.244 -7.799 1.00 0.00 C ATOM 510 O LEU A 35 -13.913 17.421 -7.670 1.00 0.00 O ATOM 511 CB LEU A 35 -16.661 15.952 -6.308 1.00 0.00 C ATOM 512 CG LEU A 35 -15.826 15.025 -5.424 1.00 0.00 C ATOM 513 CD1 LEU A 35 -16.684 13.893 -4.878 1.00 0.00 C ATOM 514 CD2 LEU A 35 -14.642 14.470 -6.202 1.00 0.00 C ATOM 0 H LEU A 35 -18.042 17.901 -6.957 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.477 17.652 -5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.632 16.095 -5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.841 15.450 -7.259 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.444 15.603 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -16.073 13.243 -4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -17.499 14.308 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -17.095 13.316 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.059 13.812 -5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.004 13.907 -7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.014 15.292 -6.544 1.00 0.00 H new ATOM 526 N GLU A 36 -15.696 16.977 -8.969 1.00 0.00 N ATOM 527 CA GLU A 36 -14.914 16.872 -10.195 1.00 0.00 C ATOM 528 C GLU A 36 -14.123 18.152 -10.447 1.00 0.00 C ATOM 529 O GLU A 36 -12.896 18.127 -10.543 1.00 0.00 O ATOM 530 CB GLU A 36 -15.829 16.582 -11.386 1.00 0.00 C ATOM 531 CG GLU A 36 -16.235 15.122 -11.502 1.00 0.00 C ATOM 532 CD GLU A 36 -16.592 14.726 -12.921 1.00 0.00 C ATOM 533 OE1 GLU A 36 -15.664 14.471 -13.717 1.00 0.00 O ATOM 534 OE2 GLU A 36 -17.799 14.672 -13.236 1.00 0.00 O ATOM 0 H GLU A 36 -16.698 16.830 -9.093 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.210 16.048 -10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.727 17.194 -11.301 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.323 16.884 -12.303 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.419 14.493 -11.148 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.088 14.933 -10.851 1.00 0.00 H new ATOM 541 N ASP A 37 -14.834 19.269 -10.554 1.00 0.00 N ATOM 542 CA ASP A 37 -14.200 20.559 -10.794 1.00 0.00 C ATOM 543 C ASP A 37 -12.999 20.754 -9.873 1.00 0.00 C ATOM 544 O ASP A 37 -11.894 21.044 -10.331 1.00 0.00 O ATOM 545 CB ASP A 37 -15.206 21.693 -10.588 1.00 0.00 C ATOM 546 CG ASP A 37 -15.949 22.046 -11.861 1.00 0.00 C ATOM 547 OD1 ASP A 37 -15.376 22.776 -12.698 1.00 0.00 O ATOM 548 OD2 ASP A 37 -17.102 21.595 -12.021 1.00 0.00 O ATOM 0 H ASP A 37 -15.850 19.307 -10.478 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.851 20.577 -11.826 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.924 21.403 -9.820 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.684 22.576 -10.219 1.00 0.00 H new ATOM 553 N ALA A 38 -13.225 20.595 -8.573 1.00 0.00 N ATOM 554 CA ALA A 38 -12.162 20.753 -7.589 1.00 0.00 C ATOM 555 C ALA A 38 -10.905 19.999 -8.012 1.00 0.00 C ATOM 556 O ALA A 38 -9.788 20.489 -7.842 1.00 0.00 O ATOM 557 CB ALA A 38 -12.632 20.274 -6.223 1.00 0.00 C ATOM 0 H ALA A 38 -14.134 20.357 -8.177 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.914 21.813 -7.525 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.828 20.398 -5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.497 20.859 -5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.909 19.221 -6.282 1.00 0.00 H new ATOM 563 N THR A 39 -11.095 18.805 -8.563 1.00 0.00 N ATOM 564 CA THR A 39 -9.977 17.983 -9.009 1.00 0.00 C ATOM 565 C THR A 39 -9.354 18.545 -10.282 1.00 0.00 C ATOM 566 O THR A 39 -8.151 18.805 -10.334 1.00 0.00 O ATOM 567 CB THR A 39 -10.416 16.528 -9.264 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.172 16.042 -8.150 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.209 15.631 -9.495 1.00 0.00 C ATOM 0 H THR A 39 -12.013 18.385 -8.711 1.00 0.00 H new ATOM 0 HA THR A 39 -9.236 17.996 -8.209 1.00 0.00 H new ATOM 0 HB THR A 39 -11.038 16.511 -10.159 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.041 16.495 -8.122 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.544 14.609 -9.673 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.652 15.986 -10.362 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.565 15.654 -8.616 1.00 0.00 H new ATOM 577 N LEU A 40 -10.179 18.730 -11.306 1.00 0.00 N ATOM 578 CA LEU A 40 -9.709 19.263 -12.580 1.00 0.00 C ATOM 579 C LEU A 40 -8.618 20.307 -12.365 1.00 0.00 C ATOM 580 O LEU A 40 -7.632 20.348 -13.100 1.00 0.00 O ATOM 581 CB LEU A 40 -10.873 19.879 -13.359 1.00 0.00 C ATOM 582 CG LEU A 40 -11.805 18.892 -14.063 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.154 19.538 -14.341 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.176 18.392 -15.355 1.00 0.00 C ATOM 0 H LEU A 40 -11.177 18.519 -11.279 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.289 18.439 -13.157 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.467 20.481 -12.671 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.465 20.559 -14.107 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.962 18.038 -13.404 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.804 18.821 -14.842 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.611 19.846 -13.400 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.015 20.410 -14.980 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.854 17.691 -15.842 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.989 19.236 -16.019 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.234 17.891 -15.131 1.00 0.00 H new ATOM 596 N GLN A 41 -8.801 21.146 -11.351 1.00 0.00 N ATOM 597 CA GLN A 41 -7.831 22.189 -11.038 1.00 0.00 C ATOM 598 C GLN A 41 -6.581 21.595 -10.398 1.00 0.00 C ATOM 599 O GLN A 41 -5.459 21.979 -10.732 1.00 0.00 O ATOM 600 CB GLN A 41 -8.452 23.228 -10.103 1.00 0.00 C ATOM 601 CG GLN A 41 -9.481 24.119 -10.780 1.00 0.00 C ATOM 602 CD GLN A 41 -10.859 23.489 -10.824 1.00 0.00 C ATOM 603 OE1 GLN A 41 -11.541 23.476 -9.685 1.00 0.00 O flip ATOM 604 NE2 GLN A 41 -11.307 23.020 -11.871 1.00 0.00 N flip ATOM 0 H GLN A 41 -9.612 21.124 -10.732 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.544 22.675 -11.970 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.924 22.715 -9.265 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.660 23.852 -9.689 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.537 25.070 -10.250 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.153 24.339 -11.796 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.748 23.051 -12.724 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.237 22.600 -11.885 1.00 0.00 H new ATOM 613 N ILE A 42 -6.781 20.658 -9.478 1.00 0.00 N ATOM 614 CA ILE A 42 -5.669 20.011 -8.793 1.00 0.00 C ATOM 615 C ILE A 42 -4.747 19.307 -9.783 1.00 0.00 C ATOM 616 O ILE A 42 -3.541 19.548 -9.802 1.00 0.00 O ATOM 617 CB ILE A 42 -6.166 18.987 -7.755 1.00 0.00 C ATOM 618 CG1 ILE A 42 -6.999 19.684 -6.678 1.00 0.00 C ATOM 619 CG2 ILE A 42 -4.989 18.252 -7.130 1.00 0.00 C ATOM 620 CD1 ILE A 42 -7.976 18.764 -5.980 1.00 0.00 C ATOM 0 H ILE A 42 -7.703 20.330 -9.190 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.115 20.797 -8.280 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.798 18.257 -8.260 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.329 20.119 -5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.549 20.508 -7.132 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.356 17.532 -6.399 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.433 17.728 -7.907 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.333 18.969 -6.636 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.532 19.326 -5.230 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.670 18.349 -6.711 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.431 17.954 -5.496 1.00 0.00 H new ATOM 632 N GLU A 43 -5.325 18.438 -10.607 1.00 0.00 N ATOM 633 CA GLU A 43 -4.555 17.701 -11.601 1.00 0.00 C ATOM 634 C GLU A 43 -3.648 18.639 -12.392 1.00 0.00 C ATOM 635 O GLU A 43 -2.437 18.431 -12.467 1.00 0.00 O ATOM 636 CB GLU A 43 -5.492 16.956 -12.555 1.00 0.00 C ATOM 637 CG GLU A 43 -5.953 15.608 -12.025 1.00 0.00 C ATOM 638 CD GLU A 43 -5.017 14.479 -12.412 1.00 0.00 C ATOM 639 OE1 GLU A 43 -4.020 14.261 -11.692 1.00 0.00 O ATOM 640 OE2 GLU A 43 -5.283 13.813 -13.434 1.00 0.00 O ATOM 0 H GLU A 43 -6.323 18.228 -10.605 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.931 16.977 -11.076 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.365 17.578 -12.752 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.984 16.808 -13.508 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.030 15.656 -10.939 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.952 15.394 -12.406 1.00 0.00 H new ATOM 647 N GLU A 44 -4.243 19.672 -12.981 1.00 0.00 N ATOM 648 CA GLU A 44 -3.489 20.641 -13.767 1.00 0.00 C ATOM 649 C GLU A 44 -2.495 21.398 -12.891 1.00 0.00 C ATOM 650 O GLU A 44 -1.451 21.848 -13.363 1.00 0.00 O ATOM 651 CB GLU A 44 -4.439 21.627 -14.449 1.00 0.00 C ATOM 652 CG GLU A 44 -5.071 22.624 -13.493 1.00 0.00 C ATOM 653 CD GLU A 44 -5.721 23.790 -14.211 1.00 0.00 C ATOM 654 OE1 GLU A 44 -5.011 24.769 -14.520 1.00 0.00 O ATOM 655 OE2 GLU A 44 -6.943 23.723 -14.464 1.00 0.00 O ATOM 0 H GLU A 44 -5.244 19.859 -12.929 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.932 20.097 -14.530 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.892 22.171 -15.219 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.228 21.069 -14.952 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.818 22.115 -12.885 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.309 23.001 -12.811 1.00 0.00 H new ATOM 662 N LEU A 45 -2.829 21.534 -11.612 1.00 0.00 N ATOM 663 CA LEU A 45 -1.967 22.237 -10.668 1.00 0.00 C ATOM 664 C LEU A 45 -0.795 21.359 -10.242 1.00 0.00 C ATOM 665 O LEU A 45 0.138 21.825 -9.589 1.00 0.00 O ATOM 666 CB LEU A 45 -2.769 22.668 -9.438 1.00 0.00 C ATOM 667 CG LEU A 45 -1.971 22.851 -8.147 1.00 0.00 C ATOM 668 CD1 LEU A 45 -1.001 24.014 -8.279 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.907 23.066 -6.967 1.00 0.00 C ATOM 0 H LEU A 45 -3.690 21.167 -11.205 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.572 23.123 -11.166 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.271 23.608 -9.667 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.547 21.926 -9.258 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.395 21.943 -7.967 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.442 24.129 -7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.308 23.819 -9.098 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.556 24.929 -8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.321 23.194 -6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.510 23.957 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.561 22.201 -6.859 1.00 0.00 H new ATOM 681 N TRP A 46 -0.849 20.086 -10.619 1.00 0.00 N ATOM 682 CA TRP A 46 0.210 19.143 -10.278 1.00 0.00 C ATOM 683 C TRP A 46 1.125 18.896 -11.473 1.00 0.00 C ATOM 684 O TRP A 46 2.271 18.475 -11.315 1.00 0.00 O ATOM 685 CB TRP A 46 -0.391 17.821 -9.799 1.00 0.00 C ATOM 686 CG TRP A 46 0.590 16.688 -9.798 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.755 15.746 -10.773 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.539 16.377 -8.772 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.750 14.868 -10.415 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.247 15.234 -9.192 1.00 0.00 C ATOM 691 CE3 TRP A 46 1.860 16.953 -7.540 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.255 14.659 -8.422 1.00 0.00 C ATOM 693 CZ3 TRP A 46 2.861 16.381 -6.777 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.549 15.244 -7.221 1.00 0.00 C ATOM 0 H TRP A 46 -1.614 19.684 -11.160 1.00 0.00 H new ATOM 0 HA TRP A 46 0.803 19.577 -9.473 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.784 17.953 -8.791 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.235 17.561 -10.438 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.187 15.698 -11.690 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.067 14.073 -10.970 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.335 17.830 -7.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.786 13.782 -8.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.117 16.818 -5.823 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.327 14.821 -6.603 1.00 0.00 H new ATOM 705 N LYS A 47 0.612 19.160 -12.670 1.00 0.00 N ATOM 706 CA LYS A 47 1.382 18.968 -13.893 1.00 0.00 C ATOM 707 C LYS A 47 2.285 20.168 -14.161 1.00 0.00 C ATOM 708 O LYS A 47 3.318 20.046 -14.821 1.00 0.00 O ATOM 709 CB LYS A 47 0.444 18.747 -15.082 1.00 0.00 C ATOM 710 CG LYS A 47 -0.279 17.412 -15.045 1.00 0.00 C ATOM 711 CD LYS A 47 -1.638 17.495 -15.721 1.00 0.00 C ATOM 712 CE LYS A 47 -1.513 17.939 -17.170 1.00 0.00 C ATOM 713 NZ LYS A 47 -2.730 18.661 -17.635 1.00 0.00 N ATOM 0 H LYS A 47 -0.335 19.508 -12.819 1.00 0.00 H new ATOM 0 HA LYS A 47 2.008 18.085 -13.763 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.293 19.550 -15.107 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.019 18.814 -16.005 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.329 16.654 -15.539 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.405 17.094 -14.010 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.127 16.522 -15.678 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.273 18.195 -15.178 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.643 18.587 -17.278 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.343 17.068 -17.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.606 18.947 -18.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.557 18.035 -17.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.878 19.506 -17.047 1.00 0.00 H new ATOM 727 N THR A 48 1.891 21.327 -13.643 1.00 0.00 N ATOM 728 CA THR A 48 2.665 22.549 -13.826 1.00 0.00 C ATOM 729 C THR A 48 3.799 22.638 -12.812 1.00 0.00 C ATOM 730 O THR A 48 4.747 23.404 -12.991 1.00 0.00 O ATOM 731 CB THR A 48 1.777 23.801 -13.698 1.00 0.00 C ATOM 732 OG1 THR A 48 2.522 24.969 -14.060 1.00 0.00 O ATOM 733 CG2 THR A 48 1.250 23.948 -12.279 1.00 0.00 C ATOM 0 H THR A 48 1.040 21.445 -13.093 1.00 0.00 H new ATOM 0 HA THR A 48 3.083 22.511 -14.832 1.00 0.00 H new ATOM 0 HB THR A 48 0.929 23.688 -14.373 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.950 25.760 -13.977 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.626 24.839 -12.213 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.659 23.070 -12.018 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.088 24.040 -11.588 1.00 0.00 H new ATOM 741 N LEU A 49 3.697 21.852 -11.746 1.00 0.00 N ATOM 742 CA LEU A 49 4.716 21.842 -10.702 1.00 0.00 C ATOM 743 C LEU A 49 6.100 21.596 -11.294 1.00 0.00 C ATOM 744 O LEU A 49 6.231 21.249 -12.468 1.00 0.00 O ATOM 745 CB LEU A 49 4.396 20.768 -9.661 1.00 0.00 C ATOM 746 CG LEU A 49 3.400 21.165 -8.571 1.00 0.00 C ATOM 747 CD1 LEU A 49 3.092 19.978 -7.671 1.00 0.00 C ATOM 748 CD2 LEU A 49 3.939 22.330 -7.754 1.00 0.00 C ATOM 0 H LEU A 49 2.919 21.213 -11.582 1.00 0.00 H new ATOM 0 HA LEU A 49 4.716 22.819 -10.219 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.006 19.892 -10.180 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.327 20.466 -9.182 1.00 0.00 H new ATOM 0 HG LEU A 49 2.474 21.481 -9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.382 20.280 -6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.662 19.172 -8.266 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.011 19.630 -7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.217 22.599 -6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.880 22.041 -7.285 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.107 23.186 -8.408 1.00 0.00 H new ATOM 760 N SER A 50 7.129 21.777 -10.473 1.00 0.00 N ATOM 761 CA SER A 50 8.504 21.577 -10.916 1.00 0.00 C ATOM 762 C SER A 50 9.023 20.211 -10.476 1.00 0.00 C ATOM 763 O SER A 50 8.487 19.601 -9.552 1.00 0.00 O ATOM 764 CB SER A 50 9.407 22.681 -10.362 1.00 0.00 C ATOM 765 OG SER A 50 9.606 22.524 -8.967 1.00 0.00 O ATOM 0 H SER A 50 7.037 22.062 -9.498 1.00 0.00 H new ATOM 0 HA SER A 50 8.518 21.619 -12.005 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.369 22.660 -10.875 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.960 23.655 -10.562 1.00 0.00 H new ATOM 0 HG SER A 50 10.188 23.240 -8.637 1.00 0.00 H new ATOM 771 N GLU A 51 10.070 19.739 -11.147 1.00 0.00 N ATOM 772 CA GLU A 51 10.661 18.445 -10.826 1.00 0.00 C ATOM 773 C GLU A 51 10.844 18.289 -9.319 1.00 0.00 C ATOM 774 O GLU A 51 10.129 17.524 -8.673 1.00 0.00 O ATOM 775 CB GLU A 51 12.008 18.285 -11.534 1.00 0.00 C ATOM 776 CG GLU A 51 11.898 17.670 -12.918 1.00 0.00 C ATOM 777 CD GLU A 51 11.344 18.638 -13.945 1.00 0.00 C ATOM 778 OE1 GLU A 51 12.038 19.626 -14.265 1.00 0.00 O ATOM 779 OE2 GLU A 51 10.217 18.407 -14.430 1.00 0.00 O ATOM 0 H GLU A 51 10.525 20.233 -11.915 1.00 0.00 H new ATOM 0 HA GLU A 51 9.981 17.667 -11.174 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.484 19.262 -11.617 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.660 17.664 -10.920 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.882 17.330 -13.239 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.256 16.790 -12.870 1.00 0.00 H new ATOM 786 N GLU A 52 11.808 19.020 -8.767 1.00 0.00 N ATOM 787 CA GLU A 52 12.086 18.962 -7.337 1.00 0.00 C ATOM 788 C GLU A 52 10.798 18.777 -6.539 1.00 0.00 C ATOM 789 O GLU A 52 10.601 17.750 -5.890 1.00 0.00 O ATOM 790 CB GLU A 52 12.802 20.235 -6.881 1.00 0.00 C ATOM 791 CG GLU A 52 13.722 20.023 -5.691 1.00 0.00 C ATOM 792 CD GLU A 52 14.568 21.243 -5.383 1.00 0.00 C ATOM 793 OE1 GLU A 52 13.994 22.275 -4.977 1.00 0.00 O ATOM 794 OE2 GLU A 52 15.803 21.166 -5.549 1.00 0.00 O ATOM 0 H GLU A 52 12.409 19.659 -9.288 1.00 0.00 H new ATOM 0 HA GLU A 52 12.733 18.104 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.384 20.632 -7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.057 20.988 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.125 19.769 -4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.375 19.173 -5.888 1.00 0.00 H new ATOM 801 N GLU A 53 9.926 19.779 -6.594 1.00 0.00 N ATOM 802 CA GLU A 53 8.658 19.727 -5.876 1.00 0.00 C ATOM 803 C GLU A 53 8.052 18.328 -5.942 1.00 0.00 C ATOM 804 O GLU A 53 7.565 17.801 -4.941 1.00 0.00 O ATOM 805 CB GLU A 53 7.676 20.748 -6.455 1.00 0.00 C ATOM 806 CG GLU A 53 6.457 20.985 -5.578 1.00 0.00 C ATOM 807 CD GLU A 53 6.819 21.195 -4.121 1.00 0.00 C ATOM 808 OE1 GLU A 53 7.565 22.151 -3.826 1.00 0.00 O ATOM 809 OE2 GLU A 53 6.354 20.402 -3.275 1.00 0.00 O ATOM 0 H GLU A 53 10.074 20.636 -7.128 1.00 0.00 H new ATOM 0 HA GLU A 53 8.851 19.971 -4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.195 21.695 -6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.346 20.407 -7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.915 21.857 -5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.783 20.133 -5.662 1.00 0.00 H new ATOM 816 N LYS A 54 8.085 17.731 -7.128 1.00 0.00 N ATOM 817 CA LYS A 54 7.540 16.393 -7.328 1.00 0.00 C ATOM 818 C LYS A 54 8.413 15.343 -6.647 1.00 0.00 C ATOM 819 O LYS A 54 7.928 14.539 -5.850 1.00 0.00 O ATOM 820 CB LYS A 54 7.424 16.084 -8.822 1.00 0.00 C ATOM 821 CG LYS A 54 6.343 16.885 -9.526 1.00 0.00 C ATOM 822 CD LYS A 54 5.957 16.254 -10.854 1.00 0.00 C ATOM 823 CE LYS A 54 4.650 16.823 -11.383 1.00 0.00 C ATOM 824 NZ LYS A 54 4.410 16.437 -12.801 1.00 0.00 N ATOM 0 H LYS A 54 8.484 18.153 -7.967 1.00 0.00 H new ATOM 0 HA LYS A 54 6.547 16.362 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.382 16.283 -9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.219 15.021 -8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.464 16.953 -8.885 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.694 17.903 -9.694 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.750 16.423 -11.582 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.862 15.175 -10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.824 16.470 -10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.667 17.910 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.412 16.603 -13.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.016 17.008 -13.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.634 15.430 -12.929 1.00 0.00 H new ATOM 838 N LEU A 55 9.703 15.357 -6.965 1.00 0.00 N ATOM 839 CA LEU A 55 10.645 14.407 -6.383 1.00 0.00 C ATOM 840 C LEU A 55 10.293 14.114 -4.928 1.00 0.00 C ATOM 841 O LEU A 55 10.316 12.963 -4.492 1.00 0.00 O ATOM 842 CB LEU A 55 12.071 14.951 -6.476 1.00 0.00 C ATOM 843 CG LEU A 55 12.847 14.588 -7.743 1.00 0.00 C ATOM 844 CD1 LEU A 55 13.109 13.091 -7.797 1.00 0.00 C ATOM 845 CD2 LEU A 55 12.089 15.044 -8.981 1.00 0.00 C ATOM 0 H LEU A 55 10.121 16.016 -7.623 1.00 0.00 H new ATOM 0 HA LEU A 55 10.581 13.477 -6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.030 16.037 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.633 14.591 -5.614 1.00 0.00 H new ATOM 0 HG LEU A 55 13.807 15.103 -7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.662 12.851 -8.705 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.693 12.792 -6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.160 12.555 -7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.656 14.778 -9.873 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.115 14.557 -9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.953 16.125 -8.947 1.00 0.00 H new ATOM 857 N LYS A 56 9.967 15.163 -4.181 1.00 0.00 N ATOM 858 CA LYS A 56 9.607 15.020 -2.775 1.00 0.00 C ATOM 859 C LYS A 56 8.510 13.975 -2.598 1.00 0.00 C ATOM 860 O LYS A 56 8.632 13.067 -1.776 1.00 0.00 O ATOM 861 CB LYS A 56 9.143 16.363 -2.207 1.00 0.00 C ATOM 862 CG LYS A 56 10.232 17.421 -2.179 1.00 0.00 C ATOM 863 CD LYS A 56 9.790 18.657 -1.413 1.00 0.00 C ATOM 864 CE LYS A 56 10.968 19.564 -1.092 1.00 0.00 C ATOM 865 NZ LYS A 56 11.900 18.938 -0.114 1.00 0.00 N ATOM 0 H LYS A 56 9.945 16.123 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 56 10.492 14.689 -2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.307 16.730 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.771 16.210 -1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.130 17.008 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.496 17.699 -3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.055 19.207 -2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.298 18.357 -0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.508 19.797 -2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.600 20.508 -0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.481 19.676 0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.353 18.438 0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.518 18.262 -0.607 1.00 0.00 H new ATOM 879 N TYR A 57 7.441 14.109 -3.375 1.00 0.00 N ATOM 880 CA TYR A 57 6.323 13.176 -3.303 1.00 0.00 C ATOM 881 C TYR A 57 6.707 11.819 -3.884 1.00 0.00 C ATOM 882 O TYR A 57 6.332 10.775 -3.350 1.00 0.00 O ATOM 883 CB TYR A 57 5.113 13.739 -4.050 1.00 0.00 C ATOM 884 CG TYR A 57 4.215 14.599 -3.189 1.00 0.00 C ATOM 885 CD1 TYR A 57 4.441 15.964 -3.063 1.00 0.00 C ATOM 886 CD2 TYR A 57 3.142 14.046 -2.501 1.00 0.00 C ATOM 887 CE1 TYR A 57 3.624 16.754 -2.277 1.00 0.00 C ATOM 888 CE2 TYR A 57 2.320 14.828 -1.714 1.00 0.00 C ATOM 889 CZ TYR A 57 2.565 16.181 -1.605 1.00 0.00 C ATOM 890 OH TYR A 57 1.748 16.963 -0.820 1.00 0.00 O ATOM 0 H TYR A 57 7.325 14.854 -4.062 1.00 0.00 H new ATOM 0 HA TYR A 57 6.063 13.041 -2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.462 14.328 -4.898 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.530 12.912 -4.455 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.270 16.415 -3.588 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.948 12.987 -2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.814 17.814 -2.190 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.490 14.383 -1.187 1.00 0.00 H new ATOM 0 HH TYR A 57 1.050 16.405 -0.418 1.00 0.00 H new ATOM 900 N GLU A 58 7.457 11.843 -4.981 1.00 0.00 N ATOM 901 CA GLU A 58 7.893 10.614 -5.635 1.00 0.00 C ATOM 902 C GLU A 58 8.415 9.610 -4.612 1.00 0.00 C ATOM 903 O GLU A 58 8.030 8.441 -4.623 1.00 0.00 O ATOM 904 CB GLU A 58 8.979 10.918 -6.669 1.00 0.00 C ATOM 905 CG GLU A 58 8.432 11.219 -8.055 1.00 0.00 C ATOM 906 CD GLU A 58 7.616 10.074 -8.621 1.00 0.00 C ATOM 907 OE1 GLU A 58 7.926 8.908 -8.301 1.00 0.00 O ATOM 908 OE2 GLU A 58 6.665 10.346 -9.385 1.00 0.00 O ATOM 0 H GLU A 58 7.775 12.699 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 58 7.033 10.176 -6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.567 11.770 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.657 10.067 -6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.812 12.115 -8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.260 11.438 -8.729 1.00 0.00 H new ATOM 915 N GLU A 59 9.296 10.074 -3.731 1.00 0.00 N ATOM 916 CA GLU A 59 9.873 9.216 -2.703 1.00 0.00 C ATOM 917 C GLU A 59 8.782 8.458 -1.952 1.00 0.00 C ATOM 918 O GLU A 59 8.984 7.325 -1.515 1.00 0.00 O ATOM 919 CB GLU A 59 10.702 10.045 -1.721 1.00 0.00 C ATOM 920 CG GLU A 59 12.112 10.334 -2.207 1.00 0.00 C ATOM 921 CD GLU A 59 12.861 11.286 -1.295 1.00 0.00 C ATOM 922 OE1 GLU A 59 13.202 10.880 -0.164 1.00 0.00 O ATOM 923 OE2 GLU A 59 13.105 12.438 -1.712 1.00 0.00 O ATOM 0 H GLU A 59 9.625 11.039 -3.709 1.00 0.00 H new ATOM 0 HA GLU A 59 10.523 8.491 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.191 10.989 -1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.756 9.518 -0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.665 9.398 -2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.067 10.758 -3.210 1.00 0.00 H new ATOM 930 N LYS A 60 7.624 9.093 -1.805 1.00 0.00 N ATOM 931 CA LYS A 60 6.499 8.481 -1.108 1.00 0.00 C ATOM 932 C LYS A 60 5.817 7.437 -1.986 1.00 0.00 C ATOM 933 O LYS A 60 5.282 6.446 -1.488 1.00 0.00 O ATOM 934 CB LYS A 60 5.487 9.551 -0.691 1.00 0.00 C ATOM 935 CG LYS A 60 6.016 10.510 0.362 1.00 0.00 C ATOM 936 CD LYS A 60 4.925 11.439 0.868 1.00 0.00 C ATOM 937 CE LYS A 60 3.992 10.728 1.836 1.00 0.00 C ATOM 938 NZ LYS A 60 4.534 10.716 3.222 1.00 0.00 N ATOM 0 H LYS A 60 7.440 10.032 -2.159 1.00 0.00 H new ATOM 0 HA LYS A 60 6.883 7.985 -0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.189 10.120 -1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.591 9.062 -0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.429 9.944 1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.831 11.099 -0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.378 12.298 1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.352 11.822 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.020 11.220 1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.832 9.704 1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.869 10.222 3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.450 10.224 3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.663 11.694 3.553 1.00 0.00 H new ATOM 952 N ALA A 61 5.841 7.664 -3.295 1.00 0.00 N ATOM 953 CA ALA A 61 5.228 6.741 -4.242 1.00 0.00 C ATOM 954 C ALA A 61 6.051 5.465 -4.376 1.00 0.00 C ATOM 955 O ALA A 61 5.520 4.358 -4.284 1.00 0.00 O ATOM 956 CB ALA A 61 5.063 7.410 -5.599 1.00 0.00 C ATOM 0 H ALA A 61 6.279 8.479 -3.724 1.00 0.00 H new ATOM 0 HA ALA A 61 4.244 6.469 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.604 6.709 -6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.427 8.289 -5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.040 7.711 -5.977 1.00 0.00 H new ATOM 962 N THR A 62 7.353 5.626 -4.595 1.00 0.00 N ATOM 963 CA THR A 62 8.250 4.487 -4.744 1.00 0.00 C ATOM 964 C THR A 62 8.103 3.516 -3.578 1.00 0.00 C ATOM 965 O THR A 62 8.193 2.301 -3.753 1.00 0.00 O ATOM 966 CB THR A 62 9.719 4.938 -4.840 1.00 0.00 C ATOM 967 OG1 THR A 62 10.582 3.795 -4.859 1.00 0.00 O ATOM 968 CG2 THR A 62 10.087 5.837 -3.670 1.00 0.00 C ATOM 0 H THR A 62 7.809 6.535 -4.673 1.00 0.00 H new ATOM 0 HA THR A 62 7.971 3.984 -5.670 1.00 0.00 H new ATOM 0 HB THR A 62 9.843 5.502 -5.764 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.514 4.090 -4.922 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.129 6.143 -3.760 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.448 6.720 -3.675 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.948 5.293 -2.736 1.00 0.00 H new ATOM 976 N LYS A 63 7.876 4.059 -2.387 1.00 0.00 N ATOM 977 CA LYS A 63 7.714 3.241 -1.191 1.00 0.00 C ATOM 978 C LYS A 63 6.363 2.533 -1.194 1.00 0.00 C ATOM 979 O LYS A 63 6.167 1.546 -0.484 1.00 0.00 O ATOM 980 CB LYS A 63 7.845 4.106 0.065 1.00 0.00 C ATOM 981 CG LYS A 63 8.061 3.303 1.336 1.00 0.00 C ATOM 982 CD LYS A 63 8.042 4.193 2.568 1.00 0.00 C ATOM 983 CE LYS A 63 8.305 3.396 3.836 1.00 0.00 C ATOM 984 NZ LYS A 63 9.753 3.102 4.016 1.00 0.00 N ATOM 0 H LYS A 63 7.800 5.063 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 63 8.500 2.486 -1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.678 4.796 -0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.945 4.710 0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.285 2.543 1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.015 2.779 1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.795 4.974 2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.075 4.690 2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.938 3.953 4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.746 2.461 3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.890 2.557 4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.098 2.548 3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.284 3.994 4.077 1.00 0.00 H new ATOM 998 N ASP A 64 5.436 3.041 -1.999 1.00 0.00 N ATOM 999 CA ASP A 64 4.104 2.455 -2.097 1.00 0.00 C ATOM 1000 C ASP A 64 3.882 1.837 -3.473 1.00 0.00 C ATOM 1001 O ASP A 64 2.796 1.340 -3.775 1.00 0.00 O ATOM 1002 CB ASP A 64 3.036 3.515 -1.821 1.00 0.00 C ATOM 1003 CG ASP A 64 2.827 3.755 -0.339 1.00 0.00 C ATOM 1004 OD1 ASP A 64 2.074 2.979 0.287 1.00 0.00 O ATOM 1005 OD2 ASP A 64 3.416 4.718 0.195 1.00 0.00 O ATOM 0 H ASP A 64 5.582 3.857 -2.593 1.00 0.00 H new ATOM 0 HA ASP A 64 4.024 1.667 -1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.325 4.450 -2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.094 3.203 -2.272 1.00 0.00 H new ATOM 1010 N LEU A 65 4.917 1.872 -4.306 1.00 0.00 N ATOM 1011 CA LEU A 65 4.835 1.316 -5.652 1.00 0.00 C ATOM 1012 C LEU A 65 5.044 -0.195 -5.631 1.00 0.00 C ATOM 1013 O LEU A 65 4.692 -0.892 -6.581 1.00 0.00 O ATOM 1014 CB LEU A 65 5.876 1.974 -6.560 1.00 0.00 C ATOM 1015 CG LEU A 65 6.038 1.357 -7.950 1.00 0.00 C ATOM 1016 CD1 LEU A 65 4.765 1.532 -8.764 1.00 0.00 C ATOM 1017 CD2 LEU A 65 7.225 1.978 -8.673 1.00 0.00 C ATOM 0 H LEU A 65 5.822 2.280 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 65 3.838 1.520 -6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.613 3.025 -6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.842 1.942 -6.055 1.00 0.00 H new ATOM 0 HG LEU A 65 6.226 0.290 -7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.899 1.087 -9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.936 1.041 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.546 2.594 -8.872 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.326 1.528 -9.660 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.066 3.051 -8.778 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.134 1.801 -8.099 1.00 0.00 H new ATOM 1029 N GLU A 66 5.617 -0.692 -4.539 1.00 0.00 N ATOM 1030 CA GLU A 66 5.871 -2.121 -4.395 1.00 0.00 C ATOM 1031 C GLU A 66 4.581 -2.921 -4.546 1.00 0.00 C ATOM 1032 O GLU A 66 4.610 -4.138 -4.732 1.00 0.00 O ATOM 1033 CB GLU A 66 6.508 -2.413 -3.034 1.00 0.00 C ATOM 1034 CG GLU A 66 5.496 -2.693 -1.936 1.00 0.00 C ATOM 1035 CD GLU A 66 4.648 -1.481 -1.602 1.00 0.00 C ATOM 1036 OE1 GLU A 66 4.174 -0.811 -2.543 1.00 0.00 O ATOM 1037 OE2 GLU A 66 4.459 -1.201 -0.399 1.00 0.00 O ATOM 0 H GLU A 66 5.914 -0.128 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 66 6.560 -2.423 -5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.174 -3.271 -3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.124 -1.563 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.847 -3.512 -2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.020 -3.023 -1.039 1.00 0.00 H new ATOM 1044 N ARG A 67 3.449 -2.229 -4.465 1.00 0.00 N ATOM 1045 CA ARG A 67 2.148 -2.874 -4.592 1.00 0.00 C ATOM 1046 C ARG A 67 1.888 -3.296 -6.035 1.00 0.00 C ATOM 1047 O ARG A 67 1.262 -4.325 -6.288 1.00 0.00 O ATOM 1048 CB ARG A 67 1.040 -1.932 -4.118 1.00 0.00 C ATOM 1049 CG ARG A 67 -0.297 -2.623 -3.905 1.00 0.00 C ATOM 1050 CD ARG A 67 -1.362 -1.644 -3.437 1.00 0.00 C ATOM 1051 NE ARG A 67 -1.348 -1.470 -1.987 1.00 0.00 N ATOM 1052 CZ ARG A 67 -2.369 -0.976 -1.296 1.00 0.00 C ATOM 1053 NH1 ARG A 67 -3.480 -0.609 -1.920 1.00 0.00 N ATOM 1054 NH2 ARG A 67 -2.280 -0.848 0.022 1.00 0.00 N ATOM 0 H ARG A 67 3.407 -1.221 -4.312 1.00 0.00 H new ATOM 0 HA ARG A 67 2.151 -3.766 -3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.349 -1.462 -3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.915 -1.135 -4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.617 -3.093 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.183 -3.418 -3.168 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.204 -0.679 -3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.344 -2.000 -3.750 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.508 -1.743 -1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.552 -0.706 -2.933 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.263 -0.230 -1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.427 -1.129 0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.065 -0.468 0.552 1.00 0.00 H new ATOM 1068 N TYR A 68 2.373 -2.494 -6.977 1.00 0.00 N ATOM 1069 CA TYR A 68 2.191 -2.783 -8.394 1.00 0.00 C ATOM 1070 C TYR A 68 3.068 -3.954 -8.829 1.00 0.00 C ATOM 1071 O TYR A 68 2.585 -4.920 -9.418 1.00 0.00 O ATOM 1072 CB TYR A 68 2.519 -1.547 -9.234 1.00 0.00 C ATOM 1073 CG TYR A 68 2.071 -1.658 -10.674 1.00 0.00 C ATOM 1074 CD1 TYR A 68 2.558 -2.664 -11.498 1.00 0.00 C ATOM 1075 CD2 TYR A 68 1.160 -0.756 -11.210 1.00 0.00 C ATOM 1076 CE1 TYR A 68 2.152 -2.768 -12.815 1.00 0.00 C ATOM 1077 CE2 TYR A 68 0.748 -0.853 -12.525 1.00 0.00 C ATOM 1078 CZ TYR A 68 1.247 -1.860 -13.323 1.00 0.00 C ATOM 1079 OH TYR A 68 0.839 -1.961 -14.634 1.00 0.00 O ATOM 0 H TYR A 68 2.895 -1.639 -6.784 1.00 0.00 H new ATOM 0 HA TYR A 68 1.148 -3.056 -8.552 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.047 -0.675 -8.782 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.595 -1.376 -9.209 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.266 -3.377 -11.103 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.767 0.035 -10.588 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.541 -3.556 -13.443 1.00 0.00 H new ATOM 0 HE2 TYR A 68 0.039 -0.144 -12.926 1.00 0.00 H new ATOM 0 HH TYR A 68 0.199 -1.246 -14.834 1.00 0.00 H new ATOM 1089 N ASN A 69 4.360 -3.859 -8.532 1.00 0.00 N ATOM 1090 CA ASN A 69 5.306 -4.910 -8.891 1.00 0.00 C ATOM 1091 C ASN A 69 4.777 -6.281 -8.482 1.00 0.00 C ATOM 1092 O ASN A 69 5.171 -7.303 -9.044 1.00 0.00 O ATOM 1093 CB ASN A 69 6.661 -4.654 -8.228 1.00 0.00 C ATOM 1094 CG ASN A 69 7.457 -3.576 -8.937 1.00 0.00 C ATOM 1095 OD1 ASN A 69 8.412 -3.867 -9.658 1.00 0.00 O ATOM 1096 ND2 ASN A 69 7.068 -2.323 -8.734 1.00 0.00 N ATOM 0 H ASN A 69 4.776 -3.066 -8.044 1.00 0.00 H new ATOM 0 HA ASN A 69 5.431 -4.897 -9.974 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.505 -4.363 -7.189 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.237 -5.579 -8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 69 7.566 -1.555 -9.184 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.271 -2.128 -8.128 1.00 0.00 H new ATOM 1103 N SER A 70 3.882 -6.294 -7.499 1.00 0.00 N ATOM 1104 CA SER A 70 3.301 -7.540 -7.012 1.00 0.00 C ATOM 1105 C SER A 70 2.065 -7.917 -7.824 1.00 0.00 C ATOM 1106 O SER A 70 1.937 -9.050 -8.286 1.00 0.00 O ATOM 1107 CB SER A 70 2.933 -7.411 -5.532 1.00 0.00 C ATOM 1108 OG SER A 70 2.245 -8.562 -5.076 1.00 0.00 O ATOM 0 H SER A 70 3.544 -5.457 -7.025 1.00 0.00 H new ATOM 0 HA SER A 70 4.045 -8.329 -7.127 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.837 -7.266 -4.941 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.310 -6.529 -5.384 1.00 0.00 H new ATOM 0 HG SER A 70 2.022 -8.456 -4.128 1.00 0.00 H new ATOM 1114 N GLN A 71 1.160 -6.959 -7.991 1.00 0.00 N ATOM 1115 CA GLN A 71 -0.066 -7.191 -8.746 1.00 0.00 C ATOM 1116 C GLN A 71 0.248 -7.669 -10.160 1.00 0.00 C ATOM 1117 O GLN A 71 -0.606 -8.246 -10.834 1.00 0.00 O ATOM 1118 CB GLN A 71 -0.905 -5.913 -8.802 1.00 0.00 C ATOM 1119 CG GLN A 71 -1.588 -5.575 -7.486 1.00 0.00 C ATOM 1120 CD GLN A 71 -2.150 -4.167 -7.465 1.00 0.00 C ATOM 1121 OE1 GLN A 71 -1.335 -3.211 -7.036 1.00 0.00 O flip ATOM 1122 NE2 GLN A 71 -3.304 -3.942 -7.830 1.00 0.00 N flip ATOM 0 H GLN A 71 1.252 -6.016 -7.614 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.635 -7.969 -8.237 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.265 -5.081 -9.094 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.663 -6.020 -9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.394 -6.287 -7.306 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.874 -5.689 -6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.895 -4.708 -8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.669 -2.990 -7.810 1.00 0.00 H new ATOM 1131 N MET A 72 1.477 -7.426 -10.603 1.00 0.00 N ATOM 1132 CA MET A 72 1.903 -7.833 -11.937 1.00 0.00 C ATOM 1133 C MET A 72 2.721 -9.119 -11.877 1.00 0.00 C ATOM 1134 O MET A 72 2.509 -10.040 -12.666 1.00 0.00 O ATOM 1135 CB MET A 72 2.723 -6.722 -12.595 1.00 0.00 C ATOM 1136 CG MET A 72 3.807 -7.239 -13.528 1.00 0.00 C ATOM 1137 SD MET A 72 4.165 -6.096 -14.876 1.00 0.00 S ATOM 1138 CE MET A 72 3.103 -6.747 -16.163 1.00 0.00 C ATOM 0 H MET A 72 2.195 -6.949 -10.058 1.00 0.00 H new ATOM 0 HA MET A 72 1.011 -8.018 -12.536 1.00 0.00 H new ATOM 0 HB2 MET A 72 2.053 -6.070 -13.156 1.00 0.00 H new ATOM 0 HB3 MET A 72 3.184 -6.113 -11.818 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.718 -7.418 -12.957 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.497 -8.198 -13.943 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.212 -6.144 -17.064 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.384 -7.778 -16.380 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.066 -6.716 -15.829 1.00 0.00 H new ATOM 1148 N LYS A 73 3.658 -9.176 -10.936 1.00 0.00 N ATOM 1149 CA LYS A 73 4.508 -10.349 -10.772 1.00 0.00 C ATOM 1150 C LYS A 73 3.681 -11.630 -10.810 1.00 0.00 C ATOM 1151 O LYS A 73 4.157 -12.674 -11.256 1.00 0.00 O ATOM 1152 CB LYS A 73 5.278 -10.265 -9.453 1.00 0.00 C ATOM 1153 CG LYS A 73 6.623 -9.570 -9.577 1.00 0.00 C ATOM 1154 CD LYS A 73 7.195 -9.215 -8.214 1.00 0.00 C ATOM 1155 CE LYS A 73 8.600 -8.644 -8.331 1.00 0.00 C ATOM 1156 NZ LYS A 73 9.281 -8.571 -7.009 1.00 0.00 N ATOM 0 H LYS A 73 3.848 -8.423 -10.275 1.00 0.00 H new ATOM 0 HA LYS A 73 5.218 -10.371 -11.599 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.670 -9.734 -8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.433 -11.273 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.321 -10.218 -10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.512 -8.664 -10.173 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.546 -8.490 -7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.214 -10.104 -7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.188 -9.263 -9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.552 -7.648 -8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.236 -8.177 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.733 -7.960 -6.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.350 -9.525 -6.601 1.00 0.00 H new ATOM 1170 N ARG A 74 2.441 -11.542 -10.340 1.00 0.00 N ATOM 1171 CA ARG A 74 1.548 -12.695 -10.321 1.00 0.00 C ATOM 1172 C ARG A 74 0.968 -12.957 -11.708 1.00 0.00 C ATOM 1173 O ARG A 74 0.753 -14.105 -12.095 1.00 0.00 O ATOM 1174 CB ARG A 74 0.415 -12.472 -9.317 1.00 0.00 C ATOM 1175 CG ARG A 74 -0.624 -11.466 -9.784 1.00 0.00 C ATOM 1176 CD ARG A 74 -1.728 -12.138 -10.586 1.00 0.00 C ATOM 1177 NE ARG A 74 -2.813 -12.613 -9.732 1.00 0.00 N ATOM 1178 CZ ARG A 74 -3.595 -11.809 -9.020 1.00 0.00 C ATOM 1179 NH1 ARG A 74 -3.412 -10.496 -9.060 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -4.561 -12.318 -8.267 1.00 0.00 N ATOM 0 H ARG A 74 2.032 -10.685 -9.968 1.00 0.00 H new ATOM 0 HA ARG A 74 2.128 -13.567 -10.018 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.077 -13.424 -9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.840 -12.131 -8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.056 -10.960 -8.921 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.143 -10.701 -10.394 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.124 -11.434 -11.318 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.312 -12.977 -11.144 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.980 -13.618 -9.679 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.670 -10.102 -9.638 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.013 -9.880 -8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.704 -13.327 -8.234 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.161 -11.700 -7.721 1.00 0.00 H new ATOM 1194 N ALA A 75 0.717 -11.884 -12.451 1.00 0.00 N ATOM 1195 CA ALA A 75 0.164 -11.998 -13.795 1.00 0.00 C ATOM 1196 C ALA A 75 1.150 -12.676 -14.739 1.00 0.00 C ATOM 1197 O ALA A 75 0.751 -13.346 -15.692 1.00 0.00 O ATOM 1198 CB ALA A 75 -0.219 -10.624 -14.326 1.00 0.00 C ATOM 0 H ALA A 75 0.888 -10.926 -12.145 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.731 -12.618 -13.741 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.631 -10.724 -15.330 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.966 -10.176 -13.671 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.665 -9.987 -14.358 1.00 0.00 H new ATOM 1204 N ILE A 76 2.439 -12.499 -14.468 1.00 0.00 N ATOM 1205 CA ILE A 76 3.481 -13.095 -15.294 1.00 0.00 C ATOM 1206 C ILE A 76 3.096 -14.503 -15.735 1.00 0.00 C ATOM 1207 O ILE A 76 3.501 -14.962 -16.802 1.00 0.00 O ATOM 1208 CB ILE A 76 4.827 -13.153 -14.547 1.00 0.00 C ATOM 1209 CG1 ILE A 76 5.375 -11.741 -14.327 1.00 0.00 C ATOM 1210 CG2 ILE A 76 5.826 -14.000 -15.320 1.00 0.00 C ATOM 1211 CD1 ILE A 76 6.205 -11.229 -15.483 1.00 0.00 C ATOM 0 H ILE A 76 2.786 -11.948 -13.683 1.00 0.00 H new ATOM 0 HA ILE A 76 3.589 -12.459 -16.173 1.00 0.00 H new ATOM 0 HB ILE A 76 4.665 -13.615 -13.573 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.542 -11.059 -14.158 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.983 -11.733 -13.422 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.772 -14.031 -14.779 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.437 -15.012 -15.429 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.986 -13.564 -16.306 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.561 -10.223 -15.258 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.058 -11.889 -15.639 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.595 -11.205 -16.386 1.00 0.00 H new ATOM 1223 N GLU A 77 2.310 -15.182 -14.906 1.00 0.00 N ATOM 1224 CA GLU A 77 1.869 -16.538 -15.211 1.00 0.00 C ATOM 1225 C GLU A 77 0.401 -16.551 -15.629 1.00 0.00 C ATOM 1226 O GLU A 77 -0.269 -15.520 -15.609 1.00 0.00 O ATOM 1227 CB GLU A 77 2.074 -17.450 -14.000 1.00 0.00 C ATOM 1228 CG GLU A 77 1.554 -16.861 -12.699 1.00 0.00 C ATOM 1229 CD GLU A 77 2.573 -15.972 -12.012 1.00 0.00 C ATOM 1230 OE1 GLU A 77 3.529 -15.537 -12.687 1.00 0.00 O ATOM 1231 OE2 GLU A 77 2.414 -15.713 -10.801 1.00 0.00 O ATOM 0 H GLU A 77 1.966 -14.816 -14.019 1.00 0.00 H new ATOM 0 HA GLU A 77 2.469 -16.910 -16.042 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.574 -18.401 -14.184 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.137 -17.664 -13.893 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.652 -16.284 -12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.271 -17.670 -12.026 1.00 0.00 H new ATOM 1238 N GLN A 78 -0.090 -17.728 -16.006 1.00 0.00 N ATOM 1239 CA GLN A 78 -1.477 -17.875 -16.430 1.00 0.00 C ATOM 1240 C GLN A 78 -2.413 -17.100 -15.508 1.00 0.00 C ATOM 1241 O GLN A 78 -3.471 -16.636 -15.932 1.00 0.00 O ATOM 1242 CB GLN A 78 -1.871 -19.353 -16.451 1.00 0.00 C ATOM 1243 CG GLN A 78 -3.009 -19.666 -17.410 1.00 0.00 C ATOM 1244 CD GLN A 78 -2.741 -19.166 -18.816 1.00 0.00 C ATOM 1245 OE1 GLN A 78 -1.593 -19.098 -19.255 1.00 0.00 O ATOM 1246 NE2 GLN A 78 -3.803 -18.812 -19.531 1.00 0.00 N ATOM 0 H GLN A 78 0.452 -18.592 -16.026 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.569 -17.467 -17.437 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.001 -19.949 -16.726 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.160 -19.658 -15.445 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.171 -20.744 -17.436 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.928 -19.214 -17.037 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.737 -18.885 -19.127 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.685 -18.468 -20.484 1.00 0.00 H new ATOM 1255 N GLU A 79 -2.016 -16.965 -14.247 1.00 0.00 N ATOM 1256 CA GLU A 79 -2.821 -16.247 -13.266 1.00 0.00 C ATOM 1257 C GLU A 79 -3.483 -15.025 -13.896 1.00 0.00 C ATOM 1258 O GLU A 79 -4.675 -14.782 -13.703 1.00 0.00 O ATOM 1259 CB GLU A 79 -1.956 -15.817 -12.080 1.00 0.00 C ATOM 1260 CG GLU A 79 -1.250 -16.973 -11.391 1.00 0.00 C ATOM 1261 CD GLU A 79 -2.213 -17.903 -10.678 1.00 0.00 C ATOM 1262 OE1 GLU A 79 -2.808 -18.770 -11.352 1.00 0.00 O ATOM 1263 OE2 GLU A 79 -2.372 -17.764 -9.447 1.00 0.00 O ATOM 0 H GLU A 79 -1.142 -17.343 -13.881 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.602 -16.920 -12.912 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.210 -15.101 -12.426 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.582 -15.299 -11.353 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.683 -17.540 -12.130 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.532 -16.579 -10.672 1.00 0.00 H new ATOM 1270 N SER A 80 -2.702 -14.257 -14.649 1.00 0.00 N ATOM 1271 CA SER A 80 -3.210 -13.058 -15.304 1.00 0.00 C ATOM 1272 C SER A 80 -4.616 -13.291 -15.848 1.00 0.00 C ATOM 1273 O SER A 80 -5.013 -14.427 -16.105 1.00 0.00 O ATOM 1274 CB SER A 80 -2.275 -12.635 -16.439 1.00 0.00 C ATOM 1275 OG SER A 80 -2.256 -13.605 -17.472 1.00 0.00 O ATOM 0 H SER A 80 -1.714 -14.444 -14.820 1.00 0.00 H new ATOM 0 HA SER A 80 -3.253 -12.260 -14.563 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.599 -11.676 -16.843 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.267 -12.493 -16.050 1.00 0.00 H new ATOM 0 HG SER A 80 -1.653 -13.311 -18.186 1.00 0.00 H new ATOM 1281 N GLN A 81 -5.364 -12.206 -16.021 1.00 0.00 N ATOM 1282 CA GLN A 81 -6.726 -12.292 -16.535 1.00 0.00 C ATOM 1283 C GLN A 81 -6.752 -12.967 -17.902 1.00 0.00 C ATOM 1284 O GLN A 81 -5.721 -13.415 -18.402 1.00 0.00 O ATOM 1285 CB GLN A 81 -7.347 -10.897 -16.630 1.00 0.00 C ATOM 1286 CG GLN A 81 -7.756 -10.319 -15.285 1.00 0.00 C ATOM 1287 CD GLN A 81 -8.623 -9.083 -15.419 1.00 0.00 C ATOM 1288 OE1 GLN A 81 -9.813 -9.176 -15.721 1.00 0.00 O ATOM 1289 NE2 GLN A 81 -8.030 -7.916 -15.196 1.00 0.00 N ATOM 0 H GLN A 81 -5.050 -11.258 -15.813 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.311 -12.896 -15.841 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.634 -10.223 -17.104 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.222 -10.942 -17.278 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.296 -11.077 -14.718 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.862 -10.070 -14.714 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.041 -7.886 -14.948 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.563 -7.050 -15.273 1.00 0.00 H new ATOM 1298 N MET A 82 -7.936 -13.036 -18.500 1.00 0.00 N ATOM 1299 CA MET A 82 -8.095 -13.656 -19.811 1.00 0.00 C ATOM 1300 C MET A 82 -7.072 -13.107 -20.800 1.00 0.00 C ATOM 1301 O MET A 82 -6.671 -11.946 -20.712 1.00 0.00 O ATOM 1302 CB MET A 82 -9.511 -13.423 -20.341 1.00 0.00 C ATOM 1303 CG MET A 82 -9.876 -11.953 -20.472 1.00 0.00 C ATOM 1304 SD MET A 82 -9.155 -11.186 -21.935 1.00 0.00 S ATOM 1305 CE MET A 82 -10.539 -10.215 -22.526 1.00 0.00 C ATOM 0 H MET A 82 -8.800 -12.671 -18.099 1.00 0.00 H new ATOM 0 HA MET A 82 -7.928 -14.728 -19.701 1.00 0.00 H new ATOM 0 HB2 MET A 82 -9.609 -13.902 -21.315 1.00 0.00 H new ATOM 0 HB3 MET A 82 -10.224 -13.908 -19.675 1.00 0.00 H new ATOM 0 HG2 MET A 82 -10.961 -11.854 -20.512 1.00 0.00 H new ATOM 0 HG3 MET A 82 -9.540 -11.419 -19.583 1.00 0.00 H new ATOM 0 HE1 MET A 82 -10.248 -9.680 -23.430 1.00 0.00 H new ATOM 0 HE2 MET A 82 -11.378 -10.875 -22.749 1.00 0.00 H new ATOM 0 HE3 MET A 82 -10.834 -9.499 -21.760 1.00 0.00 H new ATOM 1315 N SER A 83 -6.654 -13.948 -21.741 1.00 0.00 N ATOM 1316 CA SER A 83 -5.674 -13.547 -22.744 1.00 0.00 C ATOM 1317 C SER A 83 -6.265 -13.640 -24.147 1.00 0.00 C ATOM 1318 O SER A 83 -5.621 -14.136 -25.073 1.00 0.00 O ATOM 1319 CB SER A 83 -4.424 -14.422 -22.645 1.00 0.00 C ATOM 1320 OG SER A 83 -3.279 -13.731 -23.113 1.00 0.00 O ATOM 0 H SER A 83 -6.979 -14.911 -21.830 1.00 0.00 H new ATOM 0 HA SER A 83 -5.398 -12.510 -22.553 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.271 -14.727 -21.610 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.566 -15.332 -23.227 1.00 0.00 H new ATOM 0 HG SER A 83 -2.493 -14.312 -23.038 1.00 0.00 H new ATOM 1326 N LEU A 84 -7.494 -13.160 -24.298 1.00 0.00 N ATOM 1327 CA LEU A 84 -8.174 -13.189 -25.588 1.00 0.00 C ATOM 1328 C LEU A 84 -7.641 -12.095 -26.509 1.00 0.00 C ATOM 1329 O LEU A 84 -7.441 -12.316 -27.703 1.00 0.00 O ATOM 1330 CB LEU A 84 -9.682 -13.020 -25.397 1.00 0.00 C ATOM 1331 CG LEU A 84 -10.467 -14.296 -25.091 1.00 0.00 C ATOM 1332 CD1 LEU A 84 -10.109 -14.826 -23.712 1.00 0.00 C ATOM 1333 CD2 LEU A 84 -11.963 -14.039 -25.194 1.00 0.00 C ATOM 0 H LEU A 84 -8.040 -12.746 -23.543 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.979 -14.156 -26.051 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.848 -12.312 -24.585 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.094 -12.571 -26.301 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.197 -15.051 -25.829 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.678 -15.734 -23.512 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.043 -15.050 -23.674 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.349 -14.075 -22.960 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -12.506 -14.958 -24.973 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.250 -13.267 -24.479 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.207 -13.707 -26.203 1.00 0.00 H new ATOM 1345 N LYS A 85 -7.411 -10.914 -25.944 1.00 0.00 N ATOM 1346 CA LYS A 85 -6.898 -9.786 -26.712 1.00 0.00 C ATOM 1347 C LYS A 85 -5.384 -9.672 -26.566 1.00 0.00 C ATOM 1348 O LYS A 85 -4.856 -9.677 -25.453 1.00 0.00 O ATOM 1349 CB LYS A 85 -7.564 -8.486 -26.255 1.00 0.00 C ATOM 1350 CG LYS A 85 -8.982 -8.315 -26.771 1.00 0.00 C ATOM 1351 CD LYS A 85 -9.654 -7.094 -26.165 1.00 0.00 C ATOM 1352 CE LYS A 85 -9.251 -5.819 -26.890 1.00 0.00 C ATOM 1353 NZ LYS A 85 -10.100 -5.571 -28.088 1.00 0.00 N ATOM 0 H LYS A 85 -7.572 -10.714 -24.957 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.132 -9.958 -27.763 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.577 -8.458 -25.165 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.961 -7.642 -26.589 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.966 -8.221 -27.857 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.565 -9.206 -26.537 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.737 -7.213 -26.210 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.386 -7.015 -25.111 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.330 -4.973 -26.208 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.206 -5.888 -27.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.794 -4.693 -28.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.006 -6.367 -28.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.094 -5.480 -27.796 1.00 0.00 H new ATOM 1367 N ASP A 86 -4.692 -9.568 -27.694 1.00 0.00 N ATOM 1368 CA ASP A 86 -3.238 -9.450 -27.692 1.00 0.00 C ATOM 1369 C ASP A 86 -2.811 -7.989 -27.788 1.00 0.00 C ATOM 1370 O ASP A 86 -3.461 -7.185 -28.457 1.00 0.00 O ATOM 1371 CB ASP A 86 -2.638 -10.247 -28.851 1.00 0.00 C ATOM 1372 CG ASP A 86 -3.214 -11.646 -28.952 1.00 0.00 C ATOM 1373 OD1 ASP A 86 -4.292 -11.800 -29.562 1.00 0.00 O ATOM 1374 OD2 ASP A 86 -2.587 -12.585 -28.419 1.00 0.00 O ATOM 0 H ASP A 86 -5.114 -9.563 -28.623 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.867 -9.857 -26.751 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.818 -9.715 -29.785 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.557 -10.311 -28.723 1.00 0.00 H new ATOM 1379 N SER A 87 -1.716 -7.652 -27.114 1.00 0.00 N ATOM 1380 CA SER A 87 -1.205 -6.286 -27.120 1.00 0.00 C ATOM 1381 C SER A 87 0.018 -6.167 -28.023 1.00 0.00 C ATOM 1382 O SER A 87 0.143 -5.218 -28.796 1.00 0.00 O ATOM 1383 CB SER A 87 -0.848 -5.847 -25.698 1.00 0.00 C ATOM 1384 OG SER A 87 0.316 -6.511 -25.237 1.00 0.00 O ATOM 0 H SER A 87 -1.166 -8.306 -26.557 1.00 0.00 H new ATOM 0 HA SER A 87 -1.987 -5.634 -27.509 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.688 -4.769 -25.676 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.681 -6.060 -25.028 1.00 0.00 H new ATOM 0 HG SER A 87 0.524 -6.212 -24.327 1.00 0.00 H new ATOM 1390 N GLY A 88 0.919 -7.139 -27.920 1.00 0.00 N ATOM 1391 CA GLY A 88 2.122 -7.126 -28.733 1.00 0.00 C ATOM 1392 C GLY A 88 3.316 -7.717 -28.011 1.00 0.00 C ATOM 1393 O GLY A 88 4.175 -7.000 -27.498 1.00 0.00 O ATOM 0 H GLY A 88 0.838 -7.936 -27.288 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.943 -7.686 -29.651 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.349 -6.100 -29.025 1.00 0.00 H new ATOM 1397 N PRO A 89 3.380 -9.056 -27.963 1.00 0.00 N ATOM 1398 CA PRO A 89 4.473 -9.773 -27.300 1.00 0.00 C ATOM 1399 C PRO A 89 5.794 -9.639 -28.050 1.00 0.00 C ATOM 1400 O PRO A 89 5.819 -9.248 -29.217 1.00 0.00 O ATOM 1401 CB PRO A 89 3.999 -11.229 -27.308 1.00 0.00 C ATOM 1402 CG PRO A 89 3.063 -11.315 -28.463 1.00 0.00 C ATOM 1403 CD PRO A 89 2.391 -9.973 -28.553 1.00 0.00 C ATOM 0 HA PRO A 89 4.672 -9.380 -26.303 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.836 -11.917 -27.424 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.500 -11.488 -26.374 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.599 -11.545 -29.384 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.331 -12.109 -28.314 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.162 -9.707 -29.585 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.450 -9.957 -28.003 1.00 0.00 H new ATOM 1411 N SER A 90 6.890 -9.966 -27.373 1.00 0.00 N ATOM 1412 CA SER A 90 8.215 -9.879 -27.975 1.00 0.00 C ATOM 1413 C SER A 90 9.230 -10.689 -27.175 1.00 0.00 C ATOM 1414 O SER A 90 9.134 -10.791 -25.952 1.00 0.00 O ATOM 1415 CB SER A 90 8.664 -8.419 -28.061 1.00 0.00 C ATOM 1416 OG SER A 90 9.571 -8.226 -29.133 1.00 0.00 O ATOM 0 H SER A 90 6.886 -10.294 -26.407 1.00 0.00 H new ATOM 0 HA SER A 90 8.158 -10.294 -28.981 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.795 -7.775 -28.196 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.136 -8.125 -27.124 1.00 0.00 H new ATOM 0 HG SER A 90 9.841 -7.285 -29.167 1.00 0.00 H new ATOM 1422 N SER A 91 10.203 -11.263 -27.874 1.00 0.00 N ATOM 1423 CA SER A 91 11.235 -12.068 -27.231 1.00 0.00 C ATOM 1424 C SER A 91 11.932 -11.277 -26.128 1.00 0.00 C ATOM 1425 O SER A 91 12.088 -10.061 -26.225 1.00 0.00 O ATOM 1426 CB SER A 91 12.262 -12.539 -28.262 1.00 0.00 C ATOM 1427 OG SER A 91 12.882 -13.745 -27.851 1.00 0.00 O ATOM 0 H SER A 91 10.299 -11.186 -28.887 1.00 0.00 H new ATOM 0 HA SER A 91 10.755 -12.938 -26.783 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.773 -12.688 -29.225 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.019 -11.768 -28.404 1.00 0.00 H new ATOM 0 HG SER A 91 13.533 -14.026 -28.528 1.00 0.00 H new ATOM 1433 N GLY A 92 12.348 -11.979 -25.078 1.00 0.00 N ATOM 1434 CA GLY A 92 13.023 -11.327 -23.971 1.00 0.00 C ATOM 1435 C GLY A 92 12.539 -11.824 -22.623 1.00 0.00 C ATOM 1436 O GLY A 92 13.275 -11.782 -21.637 1.00 0.00 O ATOM 0 H GLY A 92 12.230 -12.987 -24.974 1.00 0.00 H new ATOM 0 HA2 GLY A 92 14.097 -11.497 -24.053 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.865 -10.251 -24.036 1.00 0.00 H new TER 1440 GLY A 92