USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=25 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 12 MET CE :methyl -162:sc= -0.0094 (180deg=0) USER MOD Set 1.2: A 20 GLN : amide:sc= -0.136 X(o=-0.15,f=-0.11) USER MOD Set 2.1: A 5 SER OG : rot -128:sc= 0.113 USER MOD Set 2.2: A 68 TYR OH : rot -116:sc= -0.175 USER MOD Set 2.3: A 72 MET CE :methyl 162:sc= -0.869 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 144:sc= -0.119 (180deg=-1.36) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-3.5!) USER MOD Single : A 25 GLN : amide:sc= -1.85 K(o=-1.9,f=-3.8!) USER MOD Single : A 30 ASN : amide:sc= 0.165 X(o=0.16,f=-0.065) 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 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.11 X(o=0.11,f=-0.14) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -118:sc= 1.06 (180deg=-0.15) USER MOD Single : A 57 TYR OH : rot -1:sc= 0.371 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+ -159:sc= -0.0962 (180deg=-0.51) USER MOD Single : A 69 ASN : amide:sc= 0.815 K(o=0.82,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.4) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0508 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.41) 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 USER MOD Single : A 90 SER OG : rot 180:sc= 0.00732 USER MOD Single : A 91 SER OG : rot 24:sc= 0.4 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.968 3.510 -19.727 1.00 0.00 N ATOM 2 CA GLY A 1 5.471 2.388 -20.502 1.00 0.00 C ATOM 3 C GLY A 1 4.744 1.369 -19.647 1.00 0.00 C ATOM 4 O GLY A 1 5.370 0.613 -18.905 1.00 0.00 O ATOM 0 H1 GLY A 1 6.457 4.178 -20.357 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.171 3.991 -19.263 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.633 3.166 -19.005 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.797 2.755 -21.276 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.305 1.903 -21.009 1.00 0.00 H new ATOM 8 N SER A 2 3.419 1.350 -19.749 1.00 0.00 N ATOM 9 CA SER A 2 2.606 0.420 -18.975 1.00 0.00 C ATOM 10 C SER A 2 2.236 -0.803 -19.809 1.00 0.00 C ATOM 11 O SER A 2 1.753 -0.676 -20.935 1.00 0.00 O ATOM 12 CB SER A 2 1.338 1.113 -18.474 1.00 0.00 C ATOM 13 OG SER A 2 0.469 1.426 -19.548 1.00 0.00 O ATOM 0 H SER A 2 2.886 1.968 -20.360 1.00 0.00 H new ATOM 0 HA SER A 2 3.193 0.089 -18.118 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.824 0.467 -17.763 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.605 2.025 -17.941 1.00 0.00 H new ATOM 0 HG SER A 2 -0.335 1.867 -19.201 1.00 0.00 H new ATOM 19 N SER A 3 2.465 -1.986 -19.249 1.00 0.00 N ATOM 20 CA SER A 3 2.159 -3.232 -19.942 1.00 0.00 C ATOM 21 C SER A 3 0.709 -3.642 -19.707 1.00 0.00 C ATOM 22 O SER A 3 0.005 -4.037 -20.636 1.00 0.00 O ATOM 23 CB SER A 3 3.099 -4.345 -19.473 1.00 0.00 C ATOM 24 OG SER A 3 3.026 -4.515 -18.068 1.00 0.00 O ATOM 0 H SER A 3 2.861 -2.108 -18.317 1.00 0.00 H new ATOM 0 HA SER A 3 2.304 -3.070 -21.010 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.838 -5.279 -19.970 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.123 -4.106 -19.761 1.00 0.00 H new ATOM 0 HG SER A 3 3.634 -5.233 -17.793 1.00 0.00 H new ATOM 30 N GLY A 4 0.268 -3.546 -18.456 1.00 0.00 N ATOM 31 CA GLY A 4 -1.095 -3.911 -18.119 1.00 0.00 C ATOM 32 C GLY A 4 -1.161 -5.037 -17.107 1.00 0.00 C ATOM 33 O GLY A 4 -0.435 -6.025 -17.219 1.00 0.00 O ATOM 0 H GLY A 4 0.831 -3.222 -17.670 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.614 -3.039 -17.721 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.622 -4.210 -19.025 1.00 0.00 H new ATOM 37 N SER A 5 -2.033 -4.889 -16.115 1.00 0.00 N ATOM 38 CA SER A 5 -2.188 -5.899 -15.075 1.00 0.00 C ATOM 39 C SER A 5 -3.661 -6.127 -14.754 1.00 0.00 C ATOM 40 O SER A 5 -4.340 -5.240 -14.236 1.00 0.00 O ATOM 41 CB SER A 5 -1.437 -5.478 -13.810 1.00 0.00 C ATOM 42 OG SER A 5 -1.417 -6.526 -12.856 1.00 0.00 O ATOM 0 H SER A 5 -2.643 -4.079 -16.010 1.00 0.00 H new ATOM 0 HA SER A 5 -1.767 -6.834 -15.445 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.416 -5.196 -14.066 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.912 -4.597 -13.378 1.00 0.00 H new ATOM 0 HG SER A 5 -1.729 -6.187 -11.991 1.00 0.00 H new ATOM 48 N SER A 6 -4.150 -7.324 -15.065 1.00 0.00 N ATOM 49 CA SER A 6 -5.544 -7.669 -14.813 1.00 0.00 C ATOM 50 C SER A 6 -5.724 -8.206 -13.397 1.00 0.00 C ATOM 51 O SER A 6 -5.378 -9.350 -13.106 1.00 0.00 O ATOM 52 CB SER A 6 -6.026 -8.706 -15.829 1.00 0.00 C ATOM 53 OG SER A 6 -7.430 -8.633 -16.006 1.00 0.00 O ATOM 0 H SER A 6 -3.601 -8.070 -15.492 1.00 0.00 H new ATOM 0 HA SER A 6 -6.141 -6.763 -14.917 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.527 -8.543 -16.784 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.750 -9.705 -15.492 1.00 0.00 H new ATOM 0 HG SER A 6 -7.712 -9.305 -16.661 1.00 0.00 H new ATOM 59 N GLY A 7 -6.268 -7.370 -12.518 1.00 0.00 N ATOM 60 CA GLY A 7 -6.485 -7.777 -11.142 1.00 0.00 C ATOM 61 C GLY A 7 -5.710 -6.926 -10.156 1.00 0.00 C ATOM 62 O GLY A 7 -6.275 -6.039 -9.514 1.00 0.00 O ATOM 0 H GLY A 7 -6.562 -6.418 -12.734 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.549 -7.716 -10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.193 -8.820 -11.025 1.00 0.00 H new ATOM 66 N ILE A 8 -4.415 -7.195 -10.034 1.00 0.00 N ATOM 67 CA ILE A 8 -3.562 -6.446 -9.119 1.00 0.00 C ATOM 68 C ILE A 8 -3.343 -5.021 -9.614 1.00 0.00 C ATOM 69 O ILE A 8 -2.494 -4.773 -10.470 1.00 0.00 O ATOM 70 CB ILE A 8 -2.195 -7.131 -8.936 1.00 0.00 C ATOM 71 CG1 ILE A 8 -2.380 -8.564 -8.433 1.00 0.00 C ATOM 72 CG2 ILE A 8 -1.328 -6.334 -7.973 1.00 0.00 C ATOM 73 CD1 ILE A 8 -1.276 -9.503 -8.864 1.00 0.00 C ATOM 0 H ILE A 8 -3.933 -7.926 -10.557 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.076 -6.419 -8.158 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.692 -7.168 -9.902 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.433 -8.554 -7.344 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.334 -8.947 -8.795 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.365 -6.831 -7.854 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.172 -5.331 -8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.825 -6.269 -7.005 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.473 -10.501 -8.471 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.236 -9.543 -9.953 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.322 -9.144 -8.479 1.00 0.00 H new ATOM 85 N LYS A 9 -4.112 -4.085 -9.068 1.00 0.00 N ATOM 86 CA LYS A 9 -4.001 -2.683 -9.450 1.00 0.00 C ATOM 87 C LYS A 9 -2.783 -2.036 -8.799 1.00 0.00 C ATOM 88 O LYS A 9 -2.477 -2.295 -7.635 1.00 0.00 O ATOM 89 CB LYS A 9 -5.269 -1.922 -9.053 1.00 0.00 C ATOM 90 CG LYS A 9 -5.415 -0.579 -9.747 1.00 0.00 C ATOM 91 CD LYS A 9 -6.291 0.370 -8.947 1.00 0.00 C ATOM 92 CE LYS A 9 -7.768 0.063 -9.141 1.00 0.00 C ATOM 93 NZ LYS A 9 -8.209 -1.089 -8.307 1.00 0.00 N ATOM 0 H LYS A 9 -4.820 -4.273 -8.358 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.880 -2.636 -10.532 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.139 -2.537 -9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.266 -1.766 -7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.431 -0.133 -9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.846 -0.725 -10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.039 0.295 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.089 1.397 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.358 0.943 -8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.959 -0.155 -10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.179 -0.923 -7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.184 -1.959 -8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.572 -1.191 -7.491 1.00 0.00 H new ATOM 107 N LYS A 10 -2.090 -1.193 -9.557 1.00 0.00 N ATOM 108 CA LYS A 10 -0.906 -0.507 -9.054 1.00 0.00 C ATOM 109 C LYS A 10 -1.267 0.428 -7.905 1.00 0.00 C ATOM 110 O LYS A 10 -2.360 0.993 -7.852 1.00 0.00 O ATOM 111 CB LYS A 10 -0.234 0.285 -10.178 1.00 0.00 C ATOM 112 CG LYS A 10 0.043 -0.540 -11.423 1.00 0.00 C ATOM 113 CD LYS A 10 0.365 0.342 -12.617 1.00 0.00 C ATOM 114 CE LYS A 10 0.833 -0.481 -13.808 1.00 0.00 C ATOM 115 NZ LYS A 10 -0.309 -0.962 -14.633 1.00 0.00 N ATOM 0 H LYS A 10 -2.328 -0.968 -10.523 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.211 -1.260 -8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.869 1.129 -10.446 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.705 0.697 -9.809 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.877 -1.216 -11.234 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.825 -1.159 -11.651 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.519 0.917 -12.895 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.138 1.059 -12.343 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.499 0.121 -14.426 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.411 -1.335 -13.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.052 -1.518 -15.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.932 -1.557 -14.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.846 -0.147 -14.992 1.00 0.00 H new ATOM 129 N PRO A 11 -0.328 0.598 -6.962 1.00 0.00 N ATOM 130 CA PRO A 11 -0.524 1.466 -5.797 1.00 0.00 C ATOM 131 C PRO A 11 -0.553 2.944 -6.173 1.00 0.00 C ATOM 132 O PRO A 11 0.188 3.385 -7.051 1.00 0.00 O ATOM 133 CB PRO A 11 0.693 1.162 -4.919 1.00 0.00 C ATOM 134 CG PRO A 11 1.735 0.681 -5.869 1.00 0.00 C ATOM 135 CD PRO A 11 0.997 -0.044 -6.961 1.00 0.00 C ATOM 0 HA PRO A 11 -1.479 1.279 -5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.026 2.051 -4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.461 0.405 -4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.309 1.515 -6.273 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.442 0.019 -5.370 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.497 0.064 -7.924 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.926 -1.112 -6.757 1.00 0.00 H new ATOM 143 N MET A 12 -1.412 3.704 -5.503 1.00 0.00 N ATOM 144 CA MET A 12 -1.536 5.133 -5.767 1.00 0.00 C ATOM 145 C MET A 12 -0.166 5.762 -6.003 1.00 0.00 C ATOM 146 O MET A 12 0.784 5.497 -5.267 1.00 0.00 O ATOM 147 CB MET A 12 -2.235 5.830 -4.599 1.00 0.00 C ATOM 148 CG MET A 12 -3.043 7.049 -5.014 1.00 0.00 C ATOM 149 SD MET A 12 -3.120 8.305 -3.723 1.00 0.00 S ATOM 150 CE MET A 12 -4.888 8.399 -3.447 1.00 0.00 C ATOM 0 H MET A 12 -2.033 3.355 -4.773 1.00 0.00 H new ATOM 0 HA MET A 12 -2.136 5.261 -6.668 1.00 0.00 H new ATOM 0 HB2 MET A 12 -2.895 5.118 -4.104 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.487 6.133 -3.867 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.603 7.483 -5.912 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.055 6.738 -5.273 1.00 0.00 H new ATOM 0 HE1 MET A 12 -5.126 9.328 -2.929 1.00 0.00 H new ATOM 0 HE2 MET A 12 -5.408 8.374 -4.405 1.00 0.00 H new ATOM 0 HE3 MET A 12 -5.207 7.552 -2.839 1.00 0.00 H new ATOM 160 N SER A 13 -0.073 6.595 -7.035 1.00 0.00 N ATOM 161 CA SER A 13 1.181 7.258 -7.371 1.00 0.00 C ATOM 162 C SER A 13 1.223 8.668 -6.788 1.00 0.00 C ATOM 163 O SER A 13 0.274 9.113 -6.143 1.00 0.00 O ATOM 164 CB SER A 13 1.361 7.316 -8.889 1.00 0.00 C ATOM 165 OG SER A 13 1.496 6.016 -9.437 1.00 0.00 O ATOM 0 H SER A 13 -0.851 6.826 -7.652 1.00 0.00 H new ATOM 0 HA SER A 13 1.997 6.680 -6.938 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.505 7.817 -9.341 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.243 7.909 -9.131 1.00 0.00 H new ATOM 0 HG SER A 13 1.608 6.081 -10.408 1.00 0.00 H new ATOM 171 N ALA A 14 2.331 9.364 -7.020 1.00 0.00 N ATOM 172 CA ALA A 14 2.497 10.724 -6.521 1.00 0.00 C ATOM 173 C ALA A 14 1.478 11.668 -7.150 1.00 0.00 C ATOM 174 O ALA A 14 0.946 12.555 -6.483 1.00 0.00 O ATOM 175 CB ALA A 14 3.912 11.215 -6.790 1.00 0.00 C ATOM 0 H ALA A 14 3.127 9.009 -7.550 1.00 0.00 H new ATOM 0 HA ALA A 14 2.326 10.714 -5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.022 12.232 -6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.625 10.562 -6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.103 11.204 -7.863 1.00 0.00 H new ATOM 181 N SER A 15 1.213 11.472 -8.437 1.00 0.00 N ATOM 182 CA SER A 15 0.261 12.310 -9.157 1.00 0.00 C ATOM 183 C SER A 15 -1.118 12.249 -8.506 1.00 0.00 C ATOM 184 O SER A 15 -1.930 13.161 -8.659 1.00 0.00 O ATOM 185 CB SER A 15 0.166 11.870 -10.619 1.00 0.00 C ATOM 186 OG SER A 15 -0.727 10.780 -10.767 1.00 0.00 O ATOM 0 H SER A 15 1.644 10.741 -9.003 1.00 0.00 H new ATOM 0 HA SER A 15 0.618 13.339 -9.117 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.171 12.706 -11.232 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.154 11.586 -10.982 1.00 0.00 H new ATOM 0 HG SER A 15 -0.771 10.519 -11.711 1.00 0.00 H new ATOM 192 N ALA A 16 -1.374 11.167 -7.778 1.00 0.00 N ATOM 193 CA ALA A 16 -2.652 10.986 -7.102 1.00 0.00 C ATOM 194 C ALA A 16 -2.601 11.527 -5.677 1.00 0.00 C ATOM 195 O ALA A 16 -3.355 12.433 -5.318 1.00 0.00 O ATOM 196 CB ALA A 16 -3.044 9.516 -7.096 1.00 0.00 C ATOM 0 H ALA A 16 -0.713 10.402 -7.641 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.407 11.549 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.001 9.397 -6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.131 9.159 -8.122 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.281 8.938 -6.574 1.00 0.00 H new ATOM 202 N LEU A 17 -1.708 10.967 -4.869 1.00 0.00 N ATOM 203 CA LEU A 17 -1.558 11.393 -3.482 1.00 0.00 C ATOM 204 C LEU A 17 -1.667 12.910 -3.363 1.00 0.00 C ATOM 205 O LEU A 17 -2.422 13.426 -2.538 1.00 0.00 O ATOM 206 CB LEU A 17 -0.213 10.922 -2.925 1.00 0.00 C ATOM 207 CG LEU A 17 -0.039 9.410 -2.779 1.00 0.00 C ATOM 208 CD1 LEU A 17 1.436 9.041 -2.766 1.00 0.00 C ATOM 209 CD2 LEU A 17 -0.726 8.914 -1.516 1.00 0.00 C ATOM 0 H LEU A 17 -1.077 10.217 -5.150 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.363 10.943 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.578 11.297 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.067 11.380 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.506 8.925 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.540 7.961 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.899 9.361 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.927 9.536 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.592 7.836 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.289 9.406 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.790 9.144 -1.566 1.00 0.00 H new ATOM 221 N PHE A 18 -0.910 13.619 -4.194 1.00 0.00 N ATOM 222 CA PHE A 18 -0.923 15.077 -4.183 1.00 0.00 C ATOM 223 C PHE A 18 -2.344 15.610 -4.346 1.00 0.00 C ATOM 224 O PHE A 18 -2.727 16.592 -3.710 1.00 0.00 O ATOM 225 CB PHE A 18 -0.030 15.625 -5.298 1.00 0.00 C ATOM 226 CG PHE A 18 -0.154 17.109 -5.491 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.185 17.639 -6.250 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.761 17.975 -4.914 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.302 19.004 -6.430 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.649 19.341 -5.090 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.383 19.856 -5.850 1.00 0.00 C ATOM 0 H PHE A 18 -0.280 13.208 -4.883 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.537 15.411 -3.220 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.008 15.381 -5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.280 15.123 -6.233 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.906 16.977 -6.707 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.571 17.578 -4.320 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.111 19.404 -7.023 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.368 20.005 -4.634 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.471 20.923 -5.990 1.00 0.00 H new ATOM 241 N VAL A 19 -3.120 14.955 -5.203 1.00 0.00 N ATOM 242 CA VAL A 19 -4.498 15.361 -5.451 1.00 0.00 C ATOM 243 C VAL A 19 -5.366 15.140 -4.217 1.00 0.00 C ATOM 244 O VAL A 19 -6.003 16.069 -3.720 1.00 0.00 O ATOM 245 CB VAL A 19 -5.106 14.590 -6.637 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.601 14.855 -6.737 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.403 14.965 -7.933 1.00 0.00 C ATOM 0 H VAL A 19 -2.818 14.141 -5.737 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.476 16.424 -5.692 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.961 13.523 -6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.013 14.302 -7.581 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.090 14.532 -5.818 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.772 15.921 -6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.846 14.411 -8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.515 16.034 -8.111 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.344 14.719 -7.857 1.00 0.00 H new ATOM 257 N GLN A 20 -5.386 13.905 -3.727 1.00 0.00 N ATOM 258 CA GLN A 20 -6.176 13.562 -2.551 1.00 0.00 C ATOM 259 C GLN A 20 -5.735 14.380 -1.342 1.00 0.00 C ATOM 260 O GLN A 20 -6.423 14.417 -0.321 1.00 0.00 O ATOM 261 CB GLN A 20 -6.052 12.069 -2.244 1.00 0.00 C ATOM 262 CG GLN A 20 -7.115 11.553 -1.288 1.00 0.00 C ATOM 263 CD GLN A 20 -6.814 10.158 -0.778 1.00 0.00 C ATOM 264 OE1 GLN A 20 -7.625 9.242 -0.924 1.00 0.00 O ATOM 265 NE2 GLN A 20 -5.644 9.988 -0.174 1.00 0.00 N ATOM 0 H GLN A 20 -4.864 13.125 -4.126 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.219 13.796 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.112 11.509 -3.177 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.068 11.875 -1.818 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.199 12.235 -0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.081 11.551 -1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.002 10.775 -0.075 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.387 9.071 0.191 1.00 0.00 H new ATOM 274 N ASP A 21 -4.586 15.034 -1.464 1.00 0.00 N ATOM 275 CA ASP A 21 -4.053 15.852 -0.380 1.00 0.00 C ATOM 276 C ASP A 21 -4.716 17.226 -0.360 1.00 0.00 C ATOM 277 O ASP A 21 -4.913 17.816 0.702 1.00 0.00 O ATOM 278 CB ASP A 21 -2.538 16.006 -0.526 1.00 0.00 C ATOM 279 CG ASP A 21 -1.850 16.250 0.803 1.00 0.00 C ATOM 280 OD1 ASP A 21 -2.431 16.962 1.648 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.732 15.730 0.997 1.00 0.00 O ATOM 0 H ASP A 21 -4.005 15.014 -2.302 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.270 15.349 0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.127 15.107 -0.985 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.323 16.835 -1.201 1.00 0.00 H new ATOM 286 N HIS A 22 -5.057 17.730 -1.542 1.00 0.00 N ATOM 287 CA HIS A 22 -5.698 19.035 -1.660 1.00 0.00 C ATOM 288 C HIS A 22 -7.135 18.892 -2.154 1.00 0.00 C ATOM 289 O HIS A 22 -7.798 19.883 -2.459 1.00 0.00 O ATOM 290 CB HIS A 22 -4.906 19.931 -2.613 1.00 0.00 C ATOM 291 CG HIS A 22 -3.422 19.810 -2.454 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.746 20.254 -1.337 1.00 0.00 N ATOM 293 CD2 HIS A 22 -2.483 19.290 -3.278 1.00 0.00 C ATOM 294 CE1 HIS A 22 -1.455 20.013 -1.482 1.00 0.00 C ATOM 295 NE2 HIS A 22 -1.269 19.428 -2.652 1.00 0.00 N ATOM 0 H HIS A 22 -4.900 17.255 -2.431 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.716 19.494 -0.672 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.175 19.682 -3.640 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.197 20.969 -2.450 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.656 18.848 -4.248 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.683 20.253 -0.766 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.370 19.128 -3.029 1.00 0.00 H new ATOM 304 N ARG A 23 -7.608 17.653 -2.230 1.00 0.00 N ATOM 305 CA ARG A 23 -8.965 17.380 -2.688 1.00 0.00 C ATOM 306 C ARG A 23 -9.992 18.042 -1.773 1.00 0.00 C ATOM 307 O ARG A 23 -10.790 18.877 -2.197 1.00 0.00 O ATOM 308 CB ARG A 23 -9.214 15.872 -2.745 1.00 0.00 C ATOM 309 CG ARG A 23 -10.649 15.479 -2.434 1.00 0.00 C ATOM 310 CD ARG A 23 -10.845 13.974 -2.515 1.00 0.00 C ATOM 311 NE ARG A 23 -12.258 13.607 -2.553 1.00 0.00 N ATOM 312 CZ ARG A 23 -12.715 12.405 -2.220 1.00 0.00 C ATOM 313 NH1 ARG A 23 -11.874 11.459 -1.825 1.00 0.00 N ATOM 314 NH2 ARG A 23 -14.015 12.147 -2.281 1.00 0.00 N ATOM 0 H ARG A 23 -7.072 16.822 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.074 17.797 -3.689 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.953 15.507 -3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.549 15.376 -2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.915 15.828 -1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.322 15.973 -3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.347 13.591 -3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.370 13.500 -1.656 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.931 14.313 -2.852 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.874 11.654 -1.776 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.227 10.537 -1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.665 12.872 -2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.364 11.223 -2.025 1.00 0.00 H new ATOM 328 N PRO A 24 -9.971 17.661 -0.487 1.00 0.00 N ATOM 329 CA PRO A 24 -10.893 18.205 0.514 1.00 0.00 C ATOM 330 C PRO A 24 -10.598 19.665 0.841 1.00 0.00 C ATOM 331 O PRO A 24 -11.515 20.467 1.016 1.00 0.00 O ATOM 332 CB PRO A 24 -10.645 17.322 1.740 1.00 0.00 C ATOM 333 CG PRO A 24 -9.254 16.818 1.569 1.00 0.00 C ATOM 334 CD PRO A 24 -9.046 16.670 0.088 1.00 0.00 C ATOM 0 HA PRO A 24 -11.926 18.195 0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.749 17.890 2.664 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.360 16.501 1.788 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.532 17.513 1.997 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.119 15.864 2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.013 16.873 -0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.277 15.660 -0.251 1.00 0.00 H new ATOM 342 N GLN A 25 -9.315 20.002 0.920 1.00 0.00 N ATOM 343 CA GLN A 25 -8.901 21.366 1.226 1.00 0.00 C ATOM 344 C GLN A 25 -9.482 22.350 0.216 1.00 0.00 C ATOM 345 O GLN A 25 -9.956 23.426 0.584 1.00 0.00 O ATOM 346 CB GLN A 25 -7.375 21.468 1.236 1.00 0.00 C ATOM 347 CG GLN A 25 -6.846 22.572 2.138 1.00 0.00 C ATOM 348 CD GLN A 25 -6.949 23.944 1.502 1.00 0.00 C ATOM 349 OE1 GLN A 25 -7.195 24.068 0.302 1.00 0.00 O ATOM 350 NE2 GLN A 25 -6.761 24.985 2.305 1.00 0.00 N ATOM 0 H GLN A 25 -8.544 19.349 0.776 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.281 21.622 2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.957 20.514 1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.024 21.641 0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -7.402 22.568 3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.804 22.367 2.384 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.559 24.837 3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.818 25.933 1.933 1.00 0.00 H new ATOM 359 N PHE A 26 -9.442 21.975 -1.058 1.00 0.00 N ATOM 360 CA PHE A 26 -9.964 22.826 -2.122 1.00 0.00 C ATOM 361 C PHE A 26 -11.407 23.231 -1.836 1.00 0.00 C ATOM 362 O PHE A 26 -11.735 24.418 -1.802 1.00 0.00 O ATOM 363 CB PHE A 26 -9.882 22.103 -3.468 1.00 0.00 C ATOM 364 CG PHE A 26 -10.007 23.021 -4.650 1.00 0.00 C ATOM 365 CD1 PHE A 26 -11.171 23.740 -4.865 1.00 0.00 C ATOM 366 CD2 PHE A 26 -8.959 23.165 -5.545 1.00 0.00 C ATOM 367 CE1 PHE A 26 -11.288 24.585 -5.953 1.00 0.00 C ATOM 368 CE2 PHE A 26 -9.071 24.008 -6.635 1.00 0.00 C ATOM 369 CZ PHE A 26 -10.236 24.720 -6.838 1.00 0.00 C ATOM 0 H PHE A 26 -9.054 21.088 -1.379 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.354 23.728 -2.164 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.932 21.572 -3.529 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.670 21.352 -3.517 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.996 23.640 -4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.044 22.612 -5.389 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.201 25.139 -6.111 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.248 24.109 -7.327 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.325 25.381 -7.687 1.00 0.00 H new ATOM 379 N LEU A 27 -12.264 22.238 -1.632 1.00 0.00 N ATOM 380 CA LEU A 27 -13.673 22.490 -1.349 1.00 0.00 C ATOM 381 C LEU A 27 -13.831 23.415 -0.147 1.00 0.00 C ATOM 382 O LEU A 27 -14.546 24.415 -0.211 1.00 0.00 O ATOM 383 CB LEU A 27 -14.406 21.171 -1.093 1.00 0.00 C ATOM 384 CG LEU A 27 -14.995 20.481 -2.323 1.00 0.00 C ATOM 385 CD1 LEU A 27 -15.930 21.422 -3.067 1.00 0.00 C ATOM 386 CD2 LEU A 27 -13.886 19.991 -3.242 1.00 0.00 C ATOM 0 H LEU A 27 -12.009 21.251 -1.657 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.111 22.979 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.713 20.481 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.213 21.359 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.571 19.618 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.340 20.913 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.744 21.723 -2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.378 22.305 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.324 19.502 -4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.282 20.838 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.256 19.281 -2.706 1.00 0.00 H new ATOM 398 N ILE A 28 -13.157 23.074 0.947 1.00 0.00 N ATOM 399 CA ILE A 28 -13.220 23.876 2.163 1.00 0.00 C ATOM 400 C ILE A 28 -13.115 25.364 1.846 1.00 0.00 C ATOM 401 O ILE A 28 -13.935 26.164 2.295 1.00 0.00 O ATOM 402 CB ILE A 28 -12.101 23.492 3.149 1.00 0.00 C ATOM 403 CG1 ILE A 28 -12.333 22.081 3.693 1.00 0.00 C ATOM 404 CG2 ILE A 28 -12.029 24.500 4.286 1.00 0.00 C ATOM 405 CD1 ILE A 28 -11.097 21.457 4.301 1.00 0.00 C ATOM 0 H ILE A 28 -12.562 22.249 1.016 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.186 23.673 2.626 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.149 23.504 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -13.120 22.116 4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.692 21.443 2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.234 24.215 4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.821 25.491 3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.980 24.517 4.818 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.336 20.458 4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.314 21.390 3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.749 22.073 5.131 1.00 0.00 H new ATOM 417 N GLU A 29 -12.100 25.727 1.067 1.00 0.00 N ATOM 418 CA GLU A 29 -11.889 27.120 0.689 1.00 0.00 C ATOM 419 C GLU A 29 -12.909 27.561 -0.356 1.00 0.00 C ATOM 420 O GLU A 29 -13.315 28.721 -0.391 1.00 0.00 O ATOM 421 CB GLU A 29 -10.471 27.315 0.148 1.00 0.00 C ATOM 422 CG GLU A 29 -9.395 27.239 1.219 1.00 0.00 C ATOM 423 CD GLU A 29 -8.001 27.453 0.662 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.776 27.118 -0.520 1.00 0.00 O ATOM 425 OE2 GLU A 29 -7.135 27.955 1.408 1.00 0.00 O ATOM 0 H GLU A 29 -11.412 25.077 0.686 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.019 27.735 1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.272 26.556 -0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.410 28.284 -0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.596 27.989 1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.442 26.266 1.707 1.00 0.00 H new ATOM 432 N ASN A 30 -13.318 26.625 -1.207 1.00 0.00 N ATOM 433 CA ASN A 30 -14.289 26.917 -2.255 1.00 0.00 C ATOM 434 C ASN A 30 -15.384 25.855 -2.292 1.00 0.00 C ATOM 435 O ASN A 30 -15.362 24.933 -3.107 1.00 0.00 O ATOM 436 CB ASN A 30 -13.594 26.996 -3.616 1.00 0.00 C ATOM 437 CG ASN A 30 -12.242 27.677 -3.535 1.00 0.00 C ATOM 438 OD1 ASN A 30 -12.153 28.905 -3.511 1.00 0.00 O ATOM 439 ND2 ASN A 30 -11.180 26.881 -3.494 1.00 0.00 N ATOM 0 H ASN A 30 -12.992 25.659 -1.191 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.748 27.880 -2.033 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.468 25.990 -4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.230 27.539 -4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.244 27.282 -3.440 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.300 25.868 -3.516 1.00 0.00 H new ATOM 446 N PRO A 31 -16.367 25.987 -1.389 1.00 0.00 N ATOM 447 CA PRO A 31 -17.490 25.049 -1.298 1.00 0.00 C ATOM 448 C PRO A 31 -18.436 25.161 -2.488 1.00 0.00 C ATOM 449 O PRO A 31 -19.216 24.249 -2.763 1.00 0.00 O ATOM 450 CB PRO A 31 -18.200 25.469 -0.009 1.00 0.00 C ATOM 451 CG PRO A 31 -17.847 26.906 0.167 1.00 0.00 C ATOM 452 CD PRO A 31 -16.457 27.062 -0.386 1.00 0.00 C ATOM 0 HA PRO A 31 -17.155 24.012 -1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.279 25.333 -0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.866 24.872 0.840 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.551 27.548 -0.361 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.883 27.191 1.219 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.311 28.044 -0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.701 26.951 0.391 1.00 0.00 H new ATOM 460 N LYS A 32 -18.363 26.286 -3.192 1.00 0.00 N ATOM 461 CA LYS A 32 -19.212 26.517 -4.355 1.00 0.00 C ATOM 462 C LYS A 32 -18.792 25.628 -5.521 1.00 0.00 C ATOM 463 O LYS A 32 -19.618 25.236 -6.346 1.00 0.00 O ATOM 464 CB LYS A 32 -19.149 27.988 -4.773 1.00 0.00 C ATOM 465 CG LYS A 32 -20.117 28.346 -5.887 1.00 0.00 C ATOM 466 CD LYS A 32 -20.352 29.845 -5.962 1.00 0.00 C ATOM 467 CE LYS A 32 -19.291 30.534 -6.807 1.00 0.00 C ATOM 468 NZ LYS A 32 -19.112 31.960 -6.419 1.00 0.00 N ATOM 0 H LYS A 32 -17.725 27.052 -2.977 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.237 26.266 -4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -19.360 28.613 -3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -18.134 28.222 -5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -19.724 27.990 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -21.066 27.836 -5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -21.338 30.039 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -20.348 30.266 -4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -18.343 30.007 -6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -19.571 30.476 -7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -18.381 32.394 -7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -20.010 32.469 -6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -18.820 32.015 -5.422 1.00 0.00 H new ATOM 482 N THR A 33 -17.502 25.311 -5.584 1.00 0.00 N ATOM 483 CA THR A 33 -16.973 24.468 -6.648 1.00 0.00 C ATOM 484 C THR A 33 -17.292 22.999 -6.396 1.00 0.00 C ATOM 485 O THR A 33 -17.097 22.492 -5.292 1.00 0.00 O ATOM 486 CB THR A 33 -15.448 24.633 -6.790 1.00 0.00 C ATOM 487 OG1 THR A 33 -15.130 25.993 -7.105 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.902 23.715 -7.873 1.00 0.00 C ATOM 0 H THR A 33 -16.804 25.626 -4.910 1.00 0.00 H new ATOM 0 HA THR A 33 -17.454 24.788 -7.573 1.00 0.00 H new ATOM 0 HB THR A 33 -14.986 24.363 -5.841 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.159 26.090 -7.192 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.823 23.850 -7.954 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.120 22.679 -7.615 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.371 23.958 -8.826 1.00 0.00 H new ATOM 496 N SER A 34 -17.784 22.320 -7.427 1.00 0.00 N ATOM 497 CA SER A 34 -18.134 20.909 -7.316 1.00 0.00 C ATOM 498 C SER A 34 -16.895 20.063 -7.038 1.00 0.00 C ATOM 499 O SER A 34 -15.766 20.500 -7.264 1.00 0.00 O ATOM 500 CB SER A 34 -18.817 20.428 -8.598 1.00 0.00 C ATOM 501 OG SER A 34 -19.867 21.302 -8.975 1.00 0.00 O ATOM 0 H SER A 34 -17.949 22.724 -8.349 1.00 0.00 H new ATOM 0 HA SER A 34 -18.825 20.796 -6.481 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.085 20.366 -9.403 1.00 0.00 H new ATOM 0 HB3 SER A 34 -19.212 19.423 -8.448 1.00 0.00 H new ATOM 0 HG SER A 34 -20.286 20.974 -9.798 1.00 0.00 H new ATOM 507 N LEU A 35 -17.115 18.848 -6.547 1.00 0.00 N ATOM 508 CA LEU A 35 -16.017 17.938 -6.238 1.00 0.00 C ATOM 509 C LEU A 35 -15.144 17.700 -7.466 1.00 0.00 C ATOM 510 O LEU A 35 -14.039 18.231 -7.565 1.00 0.00 O ATOM 511 CB LEU A 35 -16.563 16.606 -5.720 1.00 0.00 C ATOM 512 CG LEU A 35 -15.568 15.446 -5.672 1.00 0.00 C ATOM 513 CD1 LEU A 35 -14.503 15.700 -4.617 1.00 0.00 C ATOM 514 CD2 LEU A 35 -16.290 14.135 -5.399 1.00 0.00 C ATOM 0 H LEU A 35 -18.043 18.470 -6.354 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.404 18.398 -5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -16.956 16.763 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -17.404 16.312 -6.348 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.078 15.372 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.804 14.864 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.965 16.617 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.976 15.801 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.566 13.321 -5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.807 14.197 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -17.015 13.947 -6.191 1.00 0.00 H new ATOM 526 N GLU A 36 -15.650 16.900 -8.399 1.00 0.00 N ATOM 527 CA GLU A 36 -14.916 16.594 -9.622 1.00 0.00 C ATOM 528 C GLU A 36 -14.215 17.838 -10.162 1.00 0.00 C ATOM 529 O GLU A 36 -13.045 17.789 -10.539 1.00 0.00 O ATOM 530 CB GLU A 36 -15.862 16.027 -10.682 1.00 0.00 C ATOM 531 CG GLU A 36 -16.428 14.663 -10.326 1.00 0.00 C ATOM 532 CD GLU A 36 -17.169 14.019 -11.482 1.00 0.00 C ATOM 533 OE1 GLU A 36 -16.499 13.515 -12.408 1.00 0.00 O ATOM 534 OE2 GLU A 36 -18.417 14.019 -11.461 1.00 0.00 O ATOM 0 H GLU A 36 -16.564 16.452 -8.332 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.159 15.847 -9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.686 16.725 -10.832 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.329 15.954 -11.630 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.616 14.008 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.104 14.765 -9.477 1.00 0.00 H new ATOM 541 N ASP A 37 -14.941 18.950 -10.195 1.00 0.00 N ATOM 542 CA ASP A 37 -14.390 20.207 -10.688 1.00 0.00 C ATOM 543 C ASP A 37 -13.149 20.605 -9.894 1.00 0.00 C ATOM 544 O ASP A 37 -12.096 20.881 -10.467 1.00 0.00 O ATOM 545 CB ASP A 37 -15.440 21.316 -10.607 1.00 0.00 C ATOM 546 CG ASP A 37 -14.906 22.655 -11.076 1.00 0.00 C ATOM 547 OD1 ASP A 37 -13.680 22.871 -10.981 1.00 0.00 O ATOM 548 OD2 ASP A 37 -15.715 23.488 -11.537 1.00 0.00 O ATOM 0 H ASP A 37 -15.912 19.007 -9.887 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.103 20.065 -11.730 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.303 21.040 -11.213 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.789 21.407 -9.578 1.00 0.00 H new ATOM 553 N ALA A 38 -13.283 20.635 -8.572 1.00 0.00 N ATOM 554 CA ALA A 38 -12.174 20.998 -7.700 1.00 0.00 C ATOM 555 C ALA A 38 -10.917 20.210 -8.053 1.00 0.00 C ATOM 556 O ALA A 38 -9.810 20.751 -8.049 1.00 0.00 O ATOM 557 CB ALA A 38 -12.551 20.770 -6.244 1.00 0.00 C ATOM 0 H ALA A 38 -14.149 20.412 -8.082 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.960 22.057 -7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.713 21.045 -5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.417 21.383 -5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.794 19.718 -6.091 1.00 0.00 H new ATOM 563 N THR A 39 -11.094 18.928 -8.357 1.00 0.00 N ATOM 564 CA THR A 39 -9.974 18.065 -8.711 1.00 0.00 C ATOM 565 C THR A 39 -9.433 18.405 -10.095 1.00 0.00 C ATOM 566 O THR A 39 -8.232 18.616 -10.269 1.00 0.00 O ATOM 567 CB THR A 39 -10.379 16.579 -8.680 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.149 16.305 -7.505 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.150 15.683 -8.708 1.00 0.00 C ATOM 0 H THR A 39 -12.003 18.464 -8.365 1.00 0.00 H new ATOM 0 HA THR A 39 -9.195 18.237 -7.968 1.00 0.00 H new ATOM 0 HB THR A 39 -10.981 16.371 -9.564 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.404 15.359 -7.494 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.461 14.638 -8.685 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.582 15.873 -9.619 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.526 15.895 -7.840 1.00 0.00 H new ATOM 577 N LEU A 40 -10.326 18.456 -11.077 1.00 0.00 N ATOM 578 CA LEU A 40 -9.938 18.772 -12.448 1.00 0.00 C ATOM 579 C LEU A 40 -8.871 19.861 -12.475 1.00 0.00 C ATOM 580 O LEU A 40 -8.022 19.888 -13.365 1.00 0.00 O ATOM 581 CB LEU A 40 -11.159 19.218 -13.254 1.00 0.00 C ATOM 582 CG LEU A 40 -11.959 18.105 -13.933 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.172 18.679 -14.647 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.079 17.334 -14.907 1.00 0.00 C ATOM 0 H LEU A 40 -11.323 18.283 -10.950 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.522 17.871 -12.899 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.828 19.765 -12.590 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.827 19.919 -14.020 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.308 17.415 -13.165 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.729 17.872 -15.124 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.813 19.185 -13.925 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.845 19.392 -15.404 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.664 16.546 -15.381 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.699 18.013 -15.670 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.242 16.890 -14.368 1.00 0.00 H new ATOM 596 N GLN A 41 -8.920 20.755 -11.493 1.00 0.00 N ATOM 597 CA GLN A 41 -7.956 21.845 -11.404 1.00 0.00 C ATOM 598 C GLN A 41 -6.685 21.392 -10.693 1.00 0.00 C ATOM 599 O GLN A 41 -5.578 21.763 -11.084 1.00 0.00 O ATOM 600 CB GLN A 41 -8.569 23.037 -10.667 1.00 0.00 C ATOM 601 CG GLN A 41 -9.683 23.724 -11.441 1.00 0.00 C ATOM 602 CD GLN A 41 -10.132 25.018 -10.792 1.00 0.00 C ATOM 603 OE1 GLN A 41 -9.316 25.885 -10.478 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.437 25.156 -10.587 1.00 0.00 N ATOM 0 H GLN A 41 -9.617 20.746 -10.748 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.695 22.148 -12.418 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.960 22.698 -9.708 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.785 23.763 -10.453 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.342 23.930 -12.456 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.534 23.048 -11.522 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.078 24.412 -10.863 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.798 26.006 -10.154 1.00 0.00 H new ATOM 613 N ILE A 42 -6.853 20.588 -9.648 1.00 0.00 N ATOM 614 CA ILE A 42 -5.719 20.083 -8.884 1.00 0.00 C ATOM 615 C ILE A 42 -4.846 19.166 -9.735 1.00 0.00 C ATOM 616 O ILE A 42 -3.630 19.113 -9.559 1.00 0.00 O ATOM 617 CB ILE A 42 -6.181 19.317 -7.631 1.00 0.00 C ATOM 618 CG1 ILE A 42 -7.035 20.220 -6.739 1.00 0.00 C ATOM 619 CG2 ILE A 42 -4.980 18.787 -6.861 1.00 0.00 C ATOM 620 CD1 ILE A 42 -7.857 19.461 -5.721 1.00 0.00 C ATOM 0 H ILE A 42 -7.763 20.273 -9.311 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.136 20.950 -8.575 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.790 18.469 -7.946 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.384 20.922 -6.218 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.703 20.810 -7.367 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.323 18.248 -5.978 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.408 18.113 -7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.348 19.620 -6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.437 20.165 -5.124 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.533 18.778 -6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.194 18.892 -5.069 1.00 0.00 H new ATOM 632 N GLU A 43 -5.478 18.448 -10.658 1.00 0.00 N ATOM 633 CA GLU A 43 -4.758 17.534 -11.537 1.00 0.00 C ATOM 634 C GLU A 43 -3.757 18.289 -12.407 1.00 0.00 C ATOM 635 O GLU A 43 -2.595 17.900 -12.514 1.00 0.00 O ATOM 636 CB GLU A 43 -5.740 16.764 -12.423 1.00 0.00 C ATOM 637 CG GLU A 43 -6.294 15.509 -11.769 1.00 0.00 C ATOM 638 CD GLU A 43 -5.290 14.372 -11.745 1.00 0.00 C ATOM 639 OE1 GLU A 43 -4.233 14.501 -12.398 1.00 0.00 O ATOM 640 OE2 GLU A 43 -5.562 13.355 -11.074 1.00 0.00 O ATOM 0 H GLU A 43 -6.485 18.481 -10.816 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.210 16.828 -10.913 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.568 17.421 -12.689 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.240 16.489 -13.352 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.600 15.740 -10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.187 15.189 -12.305 1.00 0.00 H new ATOM 647 N GLU A 44 -4.219 19.372 -13.025 1.00 0.00 N ATOM 648 CA GLU A 44 -3.364 20.181 -13.886 1.00 0.00 C ATOM 649 C GLU A 44 -2.353 20.971 -13.061 1.00 0.00 C ATOM 650 O GLU A 44 -1.213 21.174 -13.483 1.00 0.00 O ATOM 651 CB GLU A 44 -4.211 21.139 -14.728 1.00 0.00 C ATOM 652 CG GLU A 44 -5.367 20.460 -15.444 1.00 0.00 C ATOM 653 CD GLU A 44 -4.978 19.933 -16.811 1.00 0.00 C ATOM 654 OE1 GLU A 44 -4.625 20.752 -17.685 1.00 0.00 O ATOM 655 OE2 GLU A 44 -5.026 18.701 -17.007 1.00 0.00 O ATOM 0 H GLU A 44 -5.179 19.709 -12.946 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.820 19.509 -14.549 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.605 21.925 -14.083 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.571 21.623 -15.466 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.735 19.636 -14.832 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.189 21.168 -15.552 1.00 0.00 H new ATOM 662 N LEU A 45 -2.777 21.415 -11.883 1.00 0.00 N ATOM 663 CA LEU A 45 -1.909 22.184 -10.998 1.00 0.00 C ATOM 664 C LEU A 45 -0.719 21.347 -10.540 1.00 0.00 C ATOM 665 O LEU A 45 0.242 21.871 -9.977 1.00 0.00 O ATOM 666 CB LEU A 45 -2.696 22.679 -9.783 1.00 0.00 C ATOM 667 CG LEU A 45 -1.895 22.863 -8.494 1.00 0.00 C ATOM 668 CD1 LEU A 45 -0.956 24.053 -8.614 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.829 23.037 -7.305 1.00 0.00 C ATOM 0 H LEU A 45 -3.716 21.256 -11.519 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.533 23.043 -11.555 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.159 23.632 -10.039 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.504 21.975 -9.587 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.295 21.967 -8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.394 24.168 -7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.264 23.888 -9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.536 24.957 -8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.241 23.167 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.456 23.915 -7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.460 22.154 -7.206 1.00 0.00 H new ATOM 681 N TRP A 46 -0.789 20.044 -10.788 1.00 0.00 N ATOM 682 CA TRP A 46 0.285 19.134 -10.404 1.00 0.00 C ATOM 683 C TRP A 46 1.284 18.959 -11.542 1.00 0.00 C ATOM 684 O TRP A 46 2.436 18.587 -11.319 1.00 0.00 O ATOM 685 CB TRP A 46 -0.291 17.776 -9.999 1.00 0.00 C ATOM 686 CG TRP A 46 0.735 16.683 -9.964 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.922 15.704 -10.897 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.711 16.458 -8.941 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.957 14.884 -10.517 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.458 15.325 -9.321 1.00 0.00 C ATOM 691 CE3 TRP A 46 2.029 17.103 -7.743 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.500 14.827 -8.544 1.00 0.00 C ATOM 693 CZ3 TRP A 46 3.063 16.607 -6.973 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.789 15.478 -7.376 1.00 0.00 C ATOM 0 H TRP A 46 -1.577 19.594 -11.253 1.00 0.00 H new ATOM 0 HA TRP A 46 0.808 19.568 -9.552 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.752 17.864 -9.015 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.081 17.501 -10.698 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.342 15.591 -11.801 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.297 14.078 -11.041 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.476 17.974 -7.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.061 13.957 -8.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.316 17.098 -6.045 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.592 15.115 -6.752 1.00 0.00 H new ATOM 705 N LYS A 47 0.835 19.228 -12.764 1.00 0.00 N ATOM 706 CA LYS A 47 1.690 19.101 -13.938 1.00 0.00 C ATOM 707 C LYS A 47 2.582 20.329 -14.097 1.00 0.00 C ATOM 708 O LYS A 47 3.581 20.295 -14.816 1.00 0.00 O ATOM 709 CB LYS A 47 0.840 18.909 -15.195 1.00 0.00 C ATOM 710 CG LYS A 47 0.069 17.600 -15.214 1.00 0.00 C ATOM 711 CD LYS A 47 -1.130 17.672 -16.144 1.00 0.00 C ATOM 712 CE LYS A 47 -0.724 17.467 -17.595 1.00 0.00 C ATOM 713 NZ LYS A 47 -0.636 16.022 -17.948 1.00 0.00 N ATOM 0 H LYS A 47 -0.116 19.535 -12.967 1.00 0.00 H new ATOM 0 HA LYS A 47 2.326 18.227 -13.800 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.136 19.737 -15.277 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.487 18.953 -16.071 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.729 16.793 -15.532 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.266 17.359 -14.205 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.859 16.914 -15.859 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.618 18.640 -16.035 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.447 17.957 -18.247 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.240 17.944 -17.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.357 15.925 -18.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.072 15.559 -17.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.562 15.572 -17.802 1.00 0.00 H new ATOM 727 N THR A 48 2.215 21.413 -13.420 1.00 0.00 N ATOM 728 CA THR A 48 2.981 22.651 -13.486 1.00 0.00 C ATOM 729 C THR A 48 4.122 22.646 -12.476 1.00 0.00 C ATOM 730 O THR A 48 5.142 23.309 -12.672 1.00 0.00 O ATOM 731 CB THR A 48 2.087 23.879 -13.228 1.00 0.00 C ATOM 732 OG1 THR A 48 1.583 23.845 -11.888 1.00 0.00 O ATOM 733 CG2 THR A 48 0.927 23.920 -14.211 1.00 0.00 C ATOM 0 H THR A 48 1.392 21.458 -12.820 1.00 0.00 H new ATOM 0 HA THR A 48 3.392 22.715 -14.494 1.00 0.00 H new ATOM 0 HB THR A 48 2.691 24.776 -13.366 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.017 24.630 -11.731 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.310 24.796 -14.009 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.314 23.976 -15.228 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.325 23.018 -14.101 1.00 0.00 H new ATOM 741 N LEU A 49 3.946 21.894 -11.395 1.00 0.00 N ATOM 742 CA LEU A 49 4.962 21.802 -10.353 1.00 0.00 C ATOM 743 C LEU A 49 6.326 21.469 -10.950 1.00 0.00 C ATOM 744 O LEU A 49 6.426 21.074 -12.112 1.00 0.00 O ATOM 745 CB LEU A 49 4.571 20.741 -9.323 1.00 0.00 C ATOM 746 CG LEU A 49 3.609 21.195 -8.224 1.00 0.00 C ATOM 747 CD1 LEU A 49 3.550 20.165 -7.107 1.00 0.00 C ATOM 748 CD2 LEU A 49 4.025 22.553 -7.678 1.00 0.00 C ATOM 0 H LEU A 49 3.109 21.339 -11.217 1.00 0.00 H new ATOM 0 HA LEU A 49 5.029 22.771 -9.859 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.119 19.901 -9.850 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.480 20.369 -8.851 1.00 0.00 H new ATOM 0 HG LEU A 49 2.613 21.289 -8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.861 20.505 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.204 19.213 -7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.543 20.038 -6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.329 22.860 -6.897 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.030 22.486 -7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.014 23.288 -8.483 1.00 0.00 H new ATOM 760 N SER A 50 7.373 21.627 -10.147 1.00 0.00 N ATOM 761 CA SER A 50 8.731 21.345 -10.596 1.00 0.00 C ATOM 762 C SER A 50 9.148 19.930 -10.207 1.00 0.00 C ATOM 763 O SER A 50 8.490 19.278 -9.397 1.00 0.00 O ATOM 764 CB SER A 50 9.709 22.359 -10.001 1.00 0.00 C ATOM 765 OG SER A 50 9.870 22.156 -8.608 1.00 0.00 O ATOM 0 H SER A 50 7.307 21.949 -9.181 1.00 0.00 H new ATOM 0 HA SER A 50 8.752 21.426 -11.683 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.675 22.272 -10.498 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.346 23.370 -10.185 1.00 0.00 H new ATOM 0 HG SER A 50 10.501 22.816 -8.252 1.00 0.00 H new ATOM 771 N GLU A 51 10.247 19.462 -10.791 1.00 0.00 N ATOM 772 CA GLU A 51 10.752 18.124 -10.506 1.00 0.00 C ATOM 773 C GLU A 51 10.824 17.879 -9.002 1.00 0.00 C ATOM 774 O GLU A 51 10.048 17.098 -8.453 1.00 0.00 O ATOM 775 CB GLU A 51 12.136 17.933 -11.132 1.00 0.00 C ATOM 776 CG GLU A 51 12.446 16.490 -11.493 1.00 0.00 C ATOM 777 CD GLU A 51 13.896 16.288 -11.890 1.00 0.00 C ATOM 778 OE1 GLU A 51 14.786 16.723 -11.131 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.139 15.692 -12.961 1.00 0.00 O ATOM 0 H GLU A 51 10.804 19.989 -11.464 1.00 0.00 H new ATOM 0 HA GLU A 51 10.061 17.402 -10.942 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.207 18.547 -12.030 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.893 18.296 -10.437 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.213 15.848 -10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.801 16.178 -12.315 1.00 0.00 H new ATOM 786 N GLU A 52 11.763 18.551 -8.343 1.00 0.00 N ATOM 787 CA GLU A 52 11.937 18.405 -6.902 1.00 0.00 C ATOM 788 C GLU A 52 10.588 18.397 -6.189 1.00 0.00 C ATOM 789 O GLU A 52 10.243 17.436 -5.503 1.00 0.00 O ATOM 790 CB GLU A 52 12.810 19.536 -6.354 1.00 0.00 C ATOM 791 CG GLU A 52 13.559 19.166 -5.085 1.00 0.00 C ATOM 792 CD GLU A 52 14.796 18.334 -5.359 1.00 0.00 C ATOM 793 OE1 GLU A 52 14.661 17.102 -5.514 1.00 0.00 O ATOM 794 OE2 GLU A 52 15.900 18.915 -5.420 1.00 0.00 O ATOM 0 H GLU A 52 12.414 19.201 -8.783 1.00 0.00 H new ATOM 0 HA GLU A 52 12.432 17.452 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.530 19.831 -7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.182 20.405 -6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.847 20.076 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.893 18.613 -4.423 1.00 0.00 H new ATOM 801 N GLU A 53 9.831 19.477 -6.356 1.00 0.00 N ATOM 802 CA GLU A 53 8.521 19.595 -5.727 1.00 0.00 C ATOM 803 C GLU A 53 7.764 18.271 -5.793 1.00 0.00 C ATOM 804 O GLU A 53 6.989 17.941 -4.895 1.00 0.00 O ATOM 805 CB GLU A 53 7.703 20.697 -6.404 1.00 0.00 C ATOM 806 CG GLU A 53 6.515 21.166 -5.581 1.00 0.00 C ATOM 807 CD GLU A 53 6.896 22.214 -4.553 1.00 0.00 C ATOM 808 OE1 GLU A 53 7.556 21.854 -3.556 1.00 0.00 O ATOM 809 OE2 GLU A 53 6.534 23.394 -4.745 1.00 0.00 O ATOM 0 H GLU A 53 10.102 20.282 -6.921 1.00 0.00 H new ATOM 0 HA GLU A 53 8.672 19.856 -4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.353 21.548 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.346 20.333 -7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.755 21.575 -6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.068 20.311 -5.074 1.00 0.00 H new ATOM 816 N LYS A 54 7.995 17.517 -6.862 1.00 0.00 N ATOM 817 CA LYS A 54 7.337 16.229 -7.047 1.00 0.00 C ATOM 818 C LYS A 54 8.079 15.127 -6.298 1.00 0.00 C ATOM 819 O LYS A 54 7.473 14.341 -5.569 1.00 0.00 O ATOM 820 CB LYS A 54 7.257 15.884 -8.536 1.00 0.00 C ATOM 821 CG LYS A 54 6.444 16.877 -9.348 1.00 0.00 C ATOM 822 CD LYS A 54 6.561 16.607 -10.839 1.00 0.00 C ATOM 823 CE LYS A 54 5.445 17.287 -11.617 1.00 0.00 C ATOM 824 NZ LYS A 54 5.437 16.875 -13.049 1.00 0.00 N ATOM 0 H LYS A 54 8.633 17.776 -7.614 1.00 0.00 H new ATOM 0 HA LYS A 54 6.328 16.303 -6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.267 15.835 -8.944 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.819 14.892 -8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.397 16.823 -9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.785 17.890 -9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.526 16.962 -11.200 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.529 15.532 -11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.485 17.043 -11.163 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.563 18.369 -11.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.662 17.360 -13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.344 17.131 -13.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.299 15.846 -13.113 1.00 0.00 H new ATOM 838 N LEU A 55 9.394 15.076 -6.480 1.00 0.00 N ATOM 839 CA LEU A 55 10.220 14.071 -5.820 1.00 0.00 C ATOM 840 C LEU A 55 9.682 13.753 -4.428 1.00 0.00 C ATOM 841 O LEU A 55 9.288 12.621 -4.146 1.00 0.00 O ATOM 842 CB LEU A 55 11.667 14.555 -5.722 1.00 0.00 C ATOM 843 CG LEU A 55 12.577 14.195 -6.897 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.561 12.695 -7.143 1.00 0.00 C ATOM 845 CD2 LEU A 55 12.153 14.948 -8.150 1.00 0.00 C ATOM 0 H LEU A 55 9.911 15.719 -7.079 1.00 0.00 H new ATOM 0 HA LEU A 55 10.189 13.161 -6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.660 15.640 -5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.105 14.146 -4.811 1.00 0.00 H new ATOM 0 HG LEU A 55 13.596 14.491 -6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.214 12.457 -7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.913 12.176 -6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.545 12.375 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.812 14.680 -8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.126 14.683 -8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.217 16.021 -7.969 1.00 0.00 H new ATOM 857 N LYS A 56 9.667 14.760 -3.562 1.00 0.00 N ATOM 858 CA LYS A 56 9.174 14.591 -2.200 1.00 0.00 C ATOM 859 C LYS A 56 7.977 13.646 -2.168 1.00 0.00 C ATOM 860 O LYS A 56 7.890 12.768 -1.309 1.00 0.00 O ATOM 861 CB LYS A 56 8.784 15.946 -1.605 1.00 0.00 C ATOM 862 CG LYS A 56 7.638 16.624 -2.336 1.00 0.00 C ATOM 863 CD LYS A 56 7.591 18.113 -2.039 1.00 0.00 C ATOM 864 CE LYS A 56 6.182 18.667 -2.190 1.00 0.00 C ATOM 865 NZ LYS A 56 5.391 18.521 -0.937 1.00 0.00 N ATOM 0 H LYS A 56 9.991 15.703 -3.779 1.00 0.00 H new ATOM 0 HA LYS A 56 9.974 14.155 -1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.506 15.808 -0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.653 16.604 -1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.748 16.469 -3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.695 16.163 -2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.948 18.294 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.265 18.641 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.234 19.720 -2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.673 18.149 -3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.569 17.909 -1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.986 18.095 -0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.065 19.457 -0.621 1.00 0.00 H new ATOM 879 N TYR A 57 7.059 13.830 -3.109 1.00 0.00 N ATOM 880 CA TYR A 57 5.867 12.994 -3.188 1.00 0.00 C ATOM 881 C TYR A 57 6.186 11.648 -3.832 1.00 0.00 C ATOM 882 O TYR A 57 5.663 10.613 -3.422 1.00 0.00 O ATOM 883 CB TYR A 57 4.771 13.705 -3.983 1.00 0.00 C ATOM 884 CG TYR A 57 3.865 14.565 -3.131 1.00 0.00 C ATOM 885 CD1 TYR A 57 2.892 13.993 -2.321 1.00 0.00 C ATOM 886 CD2 TYR A 57 3.983 15.949 -3.135 1.00 0.00 C ATOM 887 CE1 TYR A 57 2.062 14.775 -1.541 1.00 0.00 C ATOM 888 CE2 TYR A 57 3.159 16.739 -2.357 1.00 0.00 C ATOM 889 CZ TYR A 57 2.199 16.148 -1.562 1.00 0.00 C ATOM 890 OH TYR A 57 1.375 16.930 -0.786 1.00 0.00 O ATOM 0 H TYR A 57 7.117 14.551 -3.828 1.00 0.00 H new ATOM 0 HA TYR A 57 5.513 12.815 -2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.235 14.328 -4.748 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.168 12.959 -4.501 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.783 12.919 -2.301 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.732 16.416 -3.757 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.310 14.314 -0.918 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.266 17.814 -2.371 1.00 0.00 H new ATOM 0 HH TYR A 57 0.750 16.358 -0.294 1.00 0.00 H new ATOM 900 N GLU A 58 7.049 11.674 -4.842 1.00 0.00 N ATOM 901 CA GLU A 58 7.439 10.456 -5.544 1.00 0.00 C ATOM 902 C GLU A 58 7.953 9.405 -4.565 1.00 0.00 C ATOM 903 O GLU A 58 7.487 8.266 -4.559 1.00 0.00 O ATOM 904 CB GLU A 58 8.514 10.765 -6.589 1.00 0.00 C ATOM 905 CG GLU A 58 7.988 11.523 -7.796 1.00 0.00 C ATOM 906 CD GLU A 58 8.957 11.504 -8.963 1.00 0.00 C ATOM 907 OE1 GLU A 58 9.862 12.363 -8.997 1.00 0.00 O ATOM 908 OE2 GLU A 58 8.809 10.629 -9.842 1.00 0.00 O ATOM 0 H GLU A 58 7.491 12.524 -5.193 1.00 0.00 H new ATOM 0 HA GLU A 58 6.557 10.059 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.307 11.349 -6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.962 9.830 -6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.039 11.087 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.786 12.556 -7.512 1.00 0.00 H new ATOM 915 N GLU A 59 8.918 9.796 -3.738 1.00 0.00 N ATOM 916 CA GLU A 59 9.497 8.887 -2.755 1.00 0.00 C ATOM 917 C GLU A 59 8.417 8.022 -2.113 1.00 0.00 C ATOM 918 O GLU A 59 8.612 6.827 -1.892 1.00 0.00 O ATOM 919 CB GLU A 59 10.244 9.675 -1.677 1.00 0.00 C ATOM 920 CG GLU A 59 11.699 9.948 -2.020 1.00 0.00 C ATOM 921 CD GLU A 59 12.454 10.604 -0.881 1.00 0.00 C ATOM 922 OE1 GLU A 59 12.440 11.850 -0.800 1.00 0.00 O ATOM 923 OE2 GLU A 59 13.058 9.872 -0.070 1.00 0.00 O ATOM 0 H GLU A 59 9.315 10.735 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 59 10.202 8.235 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.734 10.624 -1.514 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.198 9.123 -0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.188 9.010 -2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.747 10.590 -2.900 1.00 0.00 H new ATOM 930 N LYS A 60 7.277 8.635 -1.813 1.00 0.00 N ATOM 931 CA LYS A 60 6.164 7.923 -1.196 1.00 0.00 C ATOM 932 C LYS A 60 5.587 6.882 -2.151 1.00 0.00 C ATOM 933 O LYS A 60 5.307 5.751 -1.756 1.00 0.00 O ATOM 934 CB LYS A 60 5.070 8.908 -0.777 1.00 0.00 C ATOM 935 CG LYS A 60 5.259 9.469 0.621 1.00 0.00 C ATOM 936 CD LYS A 60 4.538 10.795 0.793 1.00 0.00 C ATOM 937 CE LYS A 60 4.122 11.021 2.238 1.00 0.00 C ATOM 938 NZ LYS A 60 4.085 12.468 2.585 1.00 0.00 N ATOM 0 H LYS A 60 7.099 9.624 -1.987 1.00 0.00 H new ATOM 0 HA LYS A 60 6.540 7.410 -0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.043 9.732 -1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.103 8.408 -0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.886 8.754 1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.322 9.604 0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.188 11.608 0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.657 10.817 0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.138 10.582 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.818 10.506 2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.797 12.580 3.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.030 12.882 2.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.402 12.955 1.970 1.00 0.00 H new ATOM 952 N ALA A 61 5.413 7.273 -3.409 1.00 0.00 N ATOM 953 CA ALA A 61 4.873 6.373 -4.421 1.00 0.00 C ATOM 954 C ALA A 61 5.833 5.221 -4.698 1.00 0.00 C ATOM 955 O ALA A 61 5.447 4.052 -4.654 1.00 0.00 O ATOM 956 CB ALA A 61 4.577 7.137 -5.703 1.00 0.00 C ATOM 0 H ALA A 61 5.638 8.207 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 61 3.943 5.952 -4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.174 6.453 -6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.848 7.921 -5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.496 7.585 -6.080 1.00 0.00 H new ATOM 962 N THR A 62 7.087 5.557 -4.986 1.00 0.00 N ATOM 963 CA THR A 62 8.101 4.551 -5.273 1.00 0.00 C ATOM 964 C THR A 62 8.236 3.561 -4.121 1.00 0.00 C ATOM 965 O THR A 62 8.296 2.350 -4.333 1.00 0.00 O ATOM 966 CB THR A 62 9.473 5.197 -5.543 1.00 0.00 C ATOM 967 OG1 THR A 62 10.461 4.181 -5.749 1.00 0.00 O ATOM 968 CG2 THR A 62 9.889 6.088 -4.382 1.00 0.00 C ATOM 0 H THR A 62 7.424 6.519 -5.026 1.00 0.00 H new ATOM 0 HA THR A 62 7.775 4.021 -6.168 1.00 0.00 H new ATOM 0 HB THR A 62 9.391 5.810 -6.440 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.330 4.600 -5.922 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.861 6.533 -4.595 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.150 6.878 -4.246 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.955 5.492 -3.472 1.00 0.00 H new ATOM 976 N LYS A 63 8.283 4.084 -2.901 1.00 0.00 N ATOM 977 CA LYS A 63 8.408 3.247 -1.713 1.00 0.00 C ATOM 978 C LYS A 63 7.408 2.096 -1.751 1.00 0.00 C ATOM 979 O LYS A 63 7.721 0.977 -1.345 1.00 0.00 O ATOM 980 CB LYS A 63 8.192 4.083 -0.450 1.00 0.00 C ATOM 981 CG LYS A 63 8.434 3.314 0.837 1.00 0.00 C ATOM 982 CD LYS A 63 8.051 4.134 2.058 1.00 0.00 C ATOM 983 CE LYS A 63 8.068 3.291 3.324 1.00 0.00 C ATOM 984 NZ LYS A 63 7.097 2.165 3.254 1.00 0.00 N ATOM 0 H LYS A 63 8.236 5.085 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 63 9.415 2.830 -1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.857 4.946 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.172 4.466 -0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.857 2.389 0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.485 3.033 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.742 4.970 2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.057 4.558 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.071 2.896 3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.833 3.920 4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.873 1.839 4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.226 2.486 2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.513 1.381 2.711 1.00 0.00 H new ATOM 998 N ASP A 64 6.207 2.378 -2.242 1.00 0.00 N ATOM 999 CA ASP A 64 5.162 1.365 -2.336 1.00 0.00 C ATOM 1000 C ASP A 64 5.220 0.647 -3.680 1.00 0.00 C ATOM 1001 O ASP A 64 4.892 -0.537 -3.779 1.00 0.00 O ATOM 1002 CB ASP A 64 3.785 2.003 -2.143 1.00 0.00 C ATOM 1003 CG ASP A 64 2.781 1.041 -1.539 1.00 0.00 C ATOM 1004 OD1 ASP A 64 2.834 -0.161 -1.875 1.00 0.00 O ATOM 1005 OD2 ASP A 64 1.943 1.489 -0.730 1.00 0.00 O ATOM 0 H ASP A 64 5.932 3.300 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 64 5.328 0.632 -1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.880 2.877 -1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.413 2.355 -3.105 1.00 0.00 H new ATOM 1010 N LEU A 65 5.638 1.369 -4.714 1.00 0.00 N ATOM 1011 CA LEU A 65 5.738 0.802 -6.054 1.00 0.00 C ATOM 1012 C LEU A 65 6.641 -0.427 -6.058 1.00 0.00 C ATOM 1013 O LEU A 65 6.536 -1.283 -6.936 1.00 0.00 O ATOM 1014 CB LEU A 65 6.274 1.847 -7.033 1.00 0.00 C ATOM 1015 CG LEU A 65 6.254 1.455 -8.511 1.00 0.00 C ATOM 1016 CD1 LEU A 65 6.080 2.686 -9.387 1.00 0.00 C ATOM 1017 CD2 LEU A 65 7.527 0.709 -8.883 1.00 0.00 C ATOM 0 H LEU A 65 5.913 2.349 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 65 4.740 0.498 -6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.692 2.761 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.301 2.084 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 65 5.406 0.791 -8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.068 2.388 -10.435 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.140 3.179 -9.139 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.907 3.375 -9.215 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.495 0.438 -9.938 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.390 1.348 -8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.609 -0.195 -8.279 1.00 0.00 H new ATOM 1029 N GLU A 66 7.527 -0.508 -5.070 1.00 0.00 N ATOM 1030 CA GLU A 66 8.448 -1.634 -4.961 1.00 0.00 C ATOM 1031 C GLU A 66 7.746 -2.856 -4.376 1.00 0.00 C ATOM 1032 O GLU A 66 7.942 -3.979 -4.840 1.00 0.00 O ATOM 1033 CB GLU A 66 9.649 -1.256 -4.091 1.00 0.00 C ATOM 1034 CG GLU A 66 10.234 -2.428 -3.320 1.00 0.00 C ATOM 1035 CD GLU A 66 11.726 -2.287 -3.089 1.00 0.00 C ATOM 1036 OE1 GLU A 66 12.499 -2.515 -4.042 1.00 0.00 O ATOM 1037 OE2 GLU A 66 12.120 -1.947 -1.953 1.00 0.00 O ATOM 0 H GLU A 66 7.627 0.192 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 66 8.798 -1.883 -5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.424 -0.825 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.347 -0.482 -3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.728 -2.515 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.040 -3.351 -3.867 1.00 0.00 H new ATOM 1044 N ARG A 67 6.928 -2.628 -3.353 1.00 0.00 N ATOM 1045 CA ARG A 67 6.198 -3.709 -2.703 1.00 0.00 C ATOM 1046 C ARG A 67 5.269 -4.409 -3.690 1.00 0.00 C ATOM 1047 O ARG A 67 4.984 -5.599 -3.554 1.00 0.00 O ATOM 1048 CB ARG A 67 5.391 -3.170 -1.521 1.00 0.00 C ATOM 1049 CG ARG A 67 4.550 -4.227 -0.824 1.00 0.00 C ATOM 1050 CD ARG A 67 5.404 -5.129 0.053 1.00 0.00 C ATOM 1051 NE ARG A 67 4.607 -6.150 0.728 1.00 0.00 N ATOM 1052 CZ ARG A 67 3.741 -5.884 1.699 1.00 0.00 C ATOM 1053 NH1 ARG A 67 3.561 -4.635 2.107 1.00 0.00 N ATOM 1054 NH2 ARG A 67 3.053 -6.867 2.265 1.00 0.00 N ATOM 0 H ARG A 67 6.755 -1.704 -2.957 1.00 0.00 H new ATOM 0 HA ARG A 67 6.924 -4.435 -2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.075 -2.727 -0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.737 -2.372 -1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.786 -3.743 -0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.029 -4.829 -1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.168 -5.610 -0.558 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.924 -4.525 0.796 1.00 0.00 H new ATOM 0 HE ARG A 67 4.722 -7.121 0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.088 -3.876 1.675 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.895 -4.433 2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.189 -7.829 1.955 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.388 -6.661 3.011 1.00 0.00 H new ATOM 1068 N TYR A 68 4.800 -3.662 -4.684 1.00 0.00 N ATOM 1069 CA TYR A 68 3.900 -4.209 -5.693 1.00 0.00 C ATOM 1070 C TYR A 68 4.645 -5.153 -6.632 1.00 0.00 C ATOM 1071 O TYR A 68 4.097 -6.159 -7.082 1.00 0.00 O ATOM 1072 CB TYR A 68 3.252 -3.080 -6.495 1.00 0.00 C ATOM 1073 CG TYR A 68 2.745 -3.515 -7.851 1.00 0.00 C ATOM 1074 CD1 TYR A 68 2.120 -4.744 -8.019 1.00 0.00 C ATOM 1075 CD2 TYR A 68 2.890 -2.697 -8.965 1.00 0.00 C ATOM 1076 CE1 TYR A 68 1.655 -5.146 -9.256 1.00 0.00 C ATOM 1077 CE2 TYR A 68 2.427 -3.090 -10.205 1.00 0.00 C ATOM 1078 CZ TYR A 68 1.810 -4.315 -10.346 1.00 0.00 C ATOM 1079 OH TYR A 68 1.349 -4.711 -11.581 1.00 0.00 O ATOM 0 H TYR A 68 5.028 -2.676 -4.812 1.00 0.00 H new ATOM 0 HA TYR A 68 3.121 -4.774 -5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.422 -2.668 -5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.977 -2.277 -6.628 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.995 -5.397 -7.168 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.373 -1.737 -8.859 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.173 -6.106 -9.369 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.547 -2.441 -11.060 1.00 0.00 H new ATOM 0 HH TYR A 68 2.104 -4.799 -12.199 1.00 0.00 H new ATOM 1089 N ASN A 69 5.898 -4.821 -6.923 1.00 0.00 N ATOM 1090 CA ASN A 69 6.720 -5.638 -7.808 1.00 0.00 C ATOM 1091 C ASN A 69 6.969 -7.016 -7.201 1.00 0.00 C ATOM 1092 O ASN A 69 7.221 -7.984 -7.918 1.00 0.00 O ATOM 1093 CB ASN A 69 8.054 -4.942 -8.087 1.00 0.00 C ATOM 1094 CG ASN A 69 7.987 -4.026 -9.293 1.00 0.00 C ATOM 1095 OD1 ASN A 69 8.477 -4.363 -10.371 1.00 0.00 O ATOM 1096 ND2 ASN A 69 7.378 -2.859 -9.117 1.00 0.00 N ATOM 0 H ASN A 69 6.367 -3.992 -6.559 1.00 0.00 H new ATOM 0 HA ASN A 69 6.182 -5.766 -8.747 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.349 -4.364 -7.211 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.826 -5.694 -8.248 1.00 0.00 H new ATOM 0 HD21 ASN A 69 7.302 -2.201 -9.893 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.986 -2.621 -8.206 1.00 0.00 H new ATOM 1103 N SER A 70 6.896 -7.095 -5.877 1.00 0.00 N ATOM 1104 CA SER A 70 7.117 -8.353 -5.173 1.00 0.00 C ATOM 1105 C SER A 70 6.007 -9.352 -5.484 1.00 0.00 C ATOM 1106 O SER A 70 6.261 -10.544 -5.655 1.00 0.00 O ATOM 1107 CB SER A 70 7.192 -8.111 -3.664 1.00 0.00 C ATOM 1108 OG SER A 70 8.438 -7.544 -3.300 1.00 0.00 O ATOM 0 H SER A 70 6.686 -6.303 -5.270 1.00 0.00 H new ATOM 0 HA SER A 70 8.064 -8.770 -5.515 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.384 -7.447 -3.358 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.049 -9.053 -3.134 1.00 0.00 H new ATOM 0 HG SER A 70 8.460 -7.397 -2.331 1.00 0.00 H new ATOM 1114 N GLN A 71 4.776 -8.855 -5.557 1.00 0.00 N ATOM 1115 CA GLN A 71 3.626 -9.704 -5.847 1.00 0.00 C ATOM 1116 C GLN A 71 3.685 -10.230 -7.278 1.00 0.00 C ATOM 1117 O GLN A 71 3.673 -11.439 -7.505 1.00 0.00 O ATOM 1118 CB GLN A 71 2.326 -8.929 -5.629 1.00 0.00 C ATOM 1119 CG GLN A 71 2.055 -8.592 -4.172 1.00 0.00 C ATOM 1120 CD GLN A 71 2.235 -9.785 -3.254 1.00 0.00 C ATOM 1121 OE1 GLN A 71 1.545 -10.796 -3.387 1.00 0.00 O ATOM 1122 NE2 GLN A 71 3.168 -9.674 -2.315 1.00 0.00 N ATOM 0 H GLN A 71 4.550 -7.870 -5.420 1.00 0.00 H new ATOM 0 HA GLN A 71 3.652 -10.554 -5.165 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.363 -8.005 -6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.494 -9.515 -6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.725 -7.792 -3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.038 -8.213 -4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.717 -8.818 -2.240 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.335 -10.445 -1.669 1.00 0.00 H new ATOM 1131 N MET A 72 3.749 -9.313 -8.238 1.00 0.00 N ATOM 1132 CA MET A 72 3.810 -9.685 -9.646 1.00 0.00 C ATOM 1133 C MET A 72 4.671 -10.929 -9.843 1.00 0.00 C ATOM 1134 O MET A 72 4.470 -11.693 -10.787 1.00 0.00 O ATOM 1135 CB MET A 72 4.368 -8.529 -10.478 1.00 0.00 C ATOM 1136 CG MET A 72 3.448 -7.320 -10.530 1.00 0.00 C ATOM 1137 SD MET A 72 3.613 -6.388 -12.066 1.00 0.00 S ATOM 1138 CE MET A 72 2.222 -7.024 -12.998 1.00 0.00 C ATOM 0 H MET A 72 3.760 -8.308 -8.066 1.00 0.00 H new ATOM 0 HA MET A 72 2.797 -9.908 -9.980 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.330 -8.226 -10.065 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.553 -8.879 -11.494 1.00 0.00 H new ATOM 0 HG2 MET A 72 2.415 -7.649 -10.418 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.667 -6.665 -9.687 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.991 -6.343 -13.818 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.472 -8.005 -13.401 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.355 -7.111 -12.344 1.00 0.00 H new ATOM 1148 N LYS A 73 5.631 -11.127 -8.945 1.00 0.00 N ATOM 1149 CA LYS A 73 6.523 -12.278 -9.019 1.00 0.00 C ATOM 1150 C LYS A 73 5.739 -13.556 -9.300 1.00 0.00 C ATOM 1151 O LYS A 73 6.014 -14.263 -10.270 1.00 0.00 O ATOM 1152 CB LYS A 73 7.308 -12.425 -7.713 1.00 0.00 C ATOM 1153 CG LYS A 73 8.504 -13.354 -7.824 1.00 0.00 C ATOM 1154 CD LYS A 73 9.360 -13.314 -6.570 1.00 0.00 C ATOM 1155 CE LYS A 73 8.851 -14.285 -5.516 1.00 0.00 C ATOM 1156 NZ LYS A 73 9.403 -13.980 -4.167 1.00 0.00 N ATOM 0 H LYS A 73 5.811 -10.505 -8.157 1.00 0.00 H new ATOM 0 HA LYS A 73 7.222 -12.113 -9.839 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.651 -11.441 -7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.640 -12.798 -6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.159 -14.373 -7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.107 -13.070 -8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.391 -13.559 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.364 -12.303 -6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.762 -14.244 -5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.123 -15.302 -5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.032 -14.664 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.441 -14.044 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.122 -13.019 -3.886 1.00 0.00 H new ATOM 1170 N ARG A 74 4.762 -13.846 -8.447 1.00 0.00 N ATOM 1171 CA ARG A 74 3.939 -15.038 -8.605 1.00 0.00 C ATOM 1172 C ARG A 74 2.895 -14.838 -9.699 1.00 0.00 C ATOM 1173 O ARG A 74 2.595 -15.756 -10.461 1.00 0.00 O ATOM 1174 CB ARG A 74 3.248 -15.386 -7.284 1.00 0.00 C ATOM 1175 CG ARG A 74 2.278 -14.318 -6.805 1.00 0.00 C ATOM 1176 CD ARG A 74 2.114 -14.353 -5.294 1.00 0.00 C ATOM 1177 NE ARG A 74 1.066 -15.282 -4.878 1.00 0.00 N ATOM 1178 CZ ARG A 74 -0.232 -15.011 -4.962 1.00 0.00 C ATOM 1179 NH1 ARG A 74 -0.640 -13.846 -5.445 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -1.124 -15.908 -4.563 1.00 0.00 N ATOM 0 H ARG A 74 4.521 -13.271 -7.639 1.00 0.00 H new ATOM 0 HA ARG A 74 4.591 -15.862 -8.895 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.710 -16.327 -7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.007 -15.546 -6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.637 -13.335 -7.111 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.309 -14.465 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.059 -14.642 -4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.876 -13.353 -4.932 1.00 0.00 H new ATOM 0 HE ARG A 74 1.346 -16.188 -4.503 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.043 -13.154 -5.754 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.637 -13.641 -5.508 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.813 -16.806 -4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.120 -15.700 -4.627 1.00 0.00 H new ATOM 1194 N ALA A 75 2.344 -13.630 -9.770 1.00 0.00 N ATOM 1195 CA ALA A 75 1.335 -13.308 -10.772 1.00 0.00 C ATOM 1196 C ALA A 75 1.852 -13.584 -12.180 1.00 0.00 C ATOM 1197 O ALA A 75 1.350 -14.470 -12.872 1.00 0.00 O ATOM 1198 CB ALA A 75 0.906 -11.855 -10.640 1.00 0.00 C ATOM 0 H ALA A 75 2.580 -12.859 -9.146 1.00 0.00 H new ATOM 0 HA ALA A 75 0.470 -13.948 -10.600 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.152 -11.628 -11.394 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.488 -11.688 -9.647 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.770 -11.206 -10.784 1.00 0.00 H new ATOM 1204 N ILE A 76 2.855 -12.820 -12.597 1.00 0.00 N ATOM 1205 CA ILE A 76 3.439 -12.984 -13.922 1.00 0.00 C ATOM 1206 C ILE A 76 3.455 -14.450 -14.339 1.00 0.00 C ATOM 1207 O ILE A 76 3.342 -14.770 -15.522 1.00 0.00 O ATOM 1208 CB ILE A 76 4.876 -12.431 -13.976 1.00 0.00 C ATOM 1209 CG1 ILE A 76 4.859 -10.901 -13.940 1.00 0.00 C ATOM 1210 CG2 ILE A 76 5.588 -12.928 -15.226 1.00 0.00 C ATOM 1211 CD1 ILE A 76 6.104 -10.297 -13.330 1.00 0.00 C ATOM 0 H ILE A 76 3.280 -12.081 -12.037 1.00 0.00 H new ATOM 0 HA ILE A 76 2.814 -12.419 -14.614 1.00 0.00 H new ATOM 0 HB ILE A 76 5.421 -12.791 -13.103 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.742 -10.523 -14.956 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.989 -10.569 -13.374 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.602 -12.529 -15.250 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.627 -14.017 -15.214 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.046 -12.594 -16.111 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.022 -9.210 -13.338 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.212 -10.646 -12.303 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.976 -10.599 -13.909 1.00 0.00 H new ATOM 1223 N GLU A 77 3.594 -15.337 -13.358 1.00 0.00 N ATOM 1224 CA GLU A 77 3.623 -16.771 -13.624 1.00 0.00 C ATOM 1225 C GLU A 77 2.219 -17.302 -13.898 1.00 0.00 C ATOM 1226 O GLU A 77 1.763 -18.240 -13.246 1.00 0.00 O ATOM 1227 CB GLU A 77 4.242 -17.519 -12.442 1.00 0.00 C ATOM 1228 CG GLU A 77 5.607 -16.990 -12.034 1.00 0.00 C ATOM 1229 CD GLU A 77 6.584 -16.939 -13.192 1.00 0.00 C ATOM 1230 OE1 GLU A 77 7.130 -18.002 -13.555 1.00 0.00 O ATOM 1231 OE2 GLU A 77 6.801 -15.836 -13.737 1.00 0.00 O ATOM 0 H GLU A 77 3.688 -15.088 -12.373 1.00 0.00 H new ATOM 0 HA GLU A 77 4.235 -16.938 -14.510 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.567 -17.455 -11.589 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.333 -18.575 -12.698 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.494 -15.990 -11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.016 -17.622 -11.246 1.00 0.00 H new ATOM 1238 N GLN A 78 1.541 -16.694 -14.866 1.00 0.00 N ATOM 1239 CA GLN A 78 0.189 -17.105 -15.225 1.00 0.00 C ATOM 1240 C GLN A 78 -0.597 -17.528 -13.989 1.00 0.00 C ATOM 1241 O GLN A 78 -1.370 -18.485 -14.031 1.00 0.00 O ATOM 1242 CB GLN A 78 0.233 -18.254 -16.234 1.00 0.00 C ATOM 1243 CG GLN A 78 0.645 -17.821 -17.632 1.00 0.00 C ATOM 1244 CD GLN A 78 0.638 -18.967 -18.624 1.00 0.00 C ATOM 1245 OE1 GLN A 78 0.913 -20.113 -18.267 1.00 0.00 O ATOM 1246 NE2 GLN A 78 0.324 -18.664 -19.878 1.00 0.00 N ATOM 0 H GLN A 78 1.905 -15.916 -15.415 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.315 -16.252 -15.679 1.00 0.00 H new ATOM 0 HB2 GLN A 78 0.930 -19.013 -15.878 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.750 -18.722 -16.283 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.031 -17.040 -17.980 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.643 -17.385 -17.594 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.103 -17.701 -20.130 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.304 -19.395 -20.589 1.00 0.00 H new ATOM 1255 N GLU A 79 -0.395 -16.808 -12.890 1.00 0.00 N ATOM 1256 CA GLU A 79 -1.085 -17.111 -11.641 1.00 0.00 C ATOM 1257 C GLU A 79 -2.327 -16.238 -11.480 1.00 0.00 C ATOM 1258 O GLU A 79 -3.298 -16.635 -10.837 1.00 0.00 O ATOM 1259 CB GLU A 79 -0.146 -16.906 -10.451 1.00 0.00 C ATOM 1260 CG GLU A 79 0.863 -18.028 -10.271 1.00 0.00 C ATOM 1261 CD GLU A 79 1.376 -18.128 -8.847 1.00 0.00 C ATOM 1262 OE1 GLU A 79 0.542 -18.185 -7.920 1.00 0.00 O ATOM 1263 OE2 GLU A 79 2.610 -18.150 -8.661 1.00 0.00 O ATOM 0 H GLU A 79 0.240 -16.012 -12.839 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.397 -18.155 -11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.389 -15.965 -10.579 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.740 -16.814 -9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.403 -18.974 -10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.704 -17.867 -10.946 1.00 0.00 H new ATOM 1270 N SER A 80 -2.286 -15.048 -12.069 1.00 0.00 N ATOM 1271 CA SER A 80 -3.405 -14.116 -11.988 1.00 0.00 C ATOM 1272 C SER A 80 -4.584 -14.610 -12.821 1.00 0.00 C ATOM 1273 O SER A 80 -5.735 -14.532 -12.392 1.00 0.00 O ATOM 1274 CB SER A 80 -2.975 -12.727 -12.465 1.00 0.00 C ATOM 1275 OG SER A 80 -2.710 -12.726 -13.857 1.00 0.00 O ATOM 0 H SER A 80 -1.490 -14.706 -12.608 1.00 0.00 H new ATOM 0 HA SER A 80 -3.719 -14.053 -10.946 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.758 -12.003 -12.240 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.084 -12.412 -11.922 1.00 0.00 H new ATOM 0 HG SER A 80 -2.439 -11.827 -14.138 1.00 0.00 H new ATOM 1281 N GLN A 81 -4.288 -15.118 -14.012 1.00 0.00 N ATOM 1282 CA GLN A 81 -5.323 -15.624 -14.906 1.00 0.00 C ATOM 1283 C GLN A 81 -4.745 -16.631 -15.894 1.00 0.00 C ATOM 1284 O GLN A 81 -3.552 -16.604 -16.197 1.00 0.00 O ATOM 1285 CB GLN A 81 -5.982 -14.470 -15.662 1.00 0.00 C ATOM 1286 CG GLN A 81 -7.396 -14.777 -16.130 1.00 0.00 C ATOM 1287 CD GLN A 81 -7.897 -13.789 -17.164 1.00 0.00 C ATOM 1288 OE1 GLN A 81 -7.440 -12.647 -17.220 1.00 0.00 O ATOM 1289 NE2 GLN A 81 -8.840 -14.224 -17.991 1.00 0.00 N ATOM 0 H GLN A 81 -3.340 -15.190 -14.381 1.00 0.00 H new ATOM 0 HA GLN A 81 -6.076 -16.129 -14.300 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.004 -13.591 -15.018 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.369 -14.216 -16.527 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.425 -15.782 -16.550 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.068 -14.771 -15.272 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.190 -15.179 -17.909 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -9.215 -13.604 -18.709 1.00 0.00 H new ATOM 1298 N MET A 82 -5.598 -17.520 -16.393 1.00 0.00 N ATOM 1299 CA MET A 82 -5.171 -18.536 -17.349 1.00 0.00 C ATOM 1300 C MET A 82 -5.628 -18.181 -18.760 1.00 0.00 C ATOM 1301 O MET A 82 -6.825 -18.077 -19.027 1.00 0.00 O ATOM 1302 CB MET A 82 -5.723 -19.905 -16.951 1.00 0.00 C ATOM 1303 CG MET A 82 -5.046 -21.065 -17.664 1.00 0.00 C ATOM 1304 SD MET A 82 -5.515 -22.668 -16.984 1.00 0.00 S ATOM 1305 CE MET A 82 -6.468 -23.345 -18.341 1.00 0.00 C ATOM 0 H MET A 82 -6.588 -17.558 -16.152 1.00 0.00 H new ATOM 0 HA MET A 82 -4.082 -18.575 -17.338 1.00 0.00 H new ATOM 0 HB2 MET A 82 -5.609 -20.035 -15.875 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.792 -19.932 -17.164 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.303 -21.035 -18.723 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.965 -20.948 -17.595 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.829 -24.338 -18.073 1.00 0.00 H new ATOM 0 HE2 MET A 82 -7.317 -22.694 -18.549 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.839 -23.415 -19.228 1.00 0.00 H new ATOM 1315 N SER A 83 -4.667 -17.996 -19.660 1.00 0.00 N ATOM 1316 CA SER A 83 -4.971 -17.648 -21.043 1.00 0.00 C ATOM 1317 C SER A 83 -4.722 -18.835 -21.968 1.00 0.00 C ATOM 1318 O SER A 83 -3.736 -19.558 -21.819 1.00 0.00 O ATOM 1319 CB SER A 83 -4.126 -16.453 -21.489 1.00 0.00 C ATOM 1320 OG SER A 83 -4.806 -15.683 -22.465 1.00 0.00 O ATOM 0 H SER A 83 -3.671 -18.081 -19.456 1.00 0.00 H new ATOM 0 HA SER A 83 -6.026 -17.379 -21.101 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.891 -15.828 -20.627 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.178 -16.805 -21.895 1.00 0.00 H new ATOM 0 HG SER A 83 -4.246 -14.925 -22.732 1.00 0.00 H new ATOM 1326 N LEU A 84 -5.624 -19.030 -22.924 1.00 0.00 N ATOM 1327 CA LEU A 84 -5.504 -20.130 -23.876 1.00 0.00 C ATOM 1328 C LEU A 84 -5.050 -19.622 -25.241 1.00 0.00 C ATOM 1329 O LEU A 84 -5.462 -18.550 -25.685 1.00 0.00 O ATOM 1330 CB LEU A 84 -6.840 -20.862 -24.010 1.00 0.00 C ATOM 1331 CG LEU A 84 -7.133 -21.925 -22.951 1.00 0.00 C ATOM 1332 CD1 LEU A 84 -7.721 -21.286 -21.702 1.00 0.00 C ATOM 1333 CD2 LEU A 84 -8.074 -22.985 -23.504 1.00 0.00 C ATOM 0 H LEU A 84 -6.446 -18.442 -23.061 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.753 -20.824 -23.499 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.640 -20.123 -23.985 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.875 -21.336 -24.991 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.194 -22.408 -22.680 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.923 -22.058 -20.959 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.012 -20.566 -21.293 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.650 -20.776 -21.957 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.271 -23.733 -22.736 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.012 -22.518 -23.805 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.614 -23.465 -24.368 1.00 0.00 H new ATOM 1345 N LYS A 85 -4.199 -20.399 -25.902 1.00 0.00 N ATOM 1346 CA LYS A 85 -3.691 -20.031 -27.218 1.00 0.00 C ATOM 1347 C LYS A 85 -4.393 -20.826 -28.315 1.00 0.00 C ATOM 1348 O LYS A 85 -4.237 -22.044 -28.408 1.00 0.00 O ATOM 1349 CB LYS A 85 -2.181 -20.268 -27.289 1.00 0.00 C ATOM 1350 CG LYS A 85 -1.461 -19.327 -28.240 1.00 0.00 C ATOM 1351 CD LYS A 85 -1.202 -17.976 -27.596 1.00 0.00 C ATOM 1352 CE LYS A 85 -0.004 -18.024 -26.660 1.00 0.00 C ATOM 1353 NZ LYS A 85 1.280 -17.855 -27.394 1.00 0.00 N ATOM 0 H LYS A 85 -3.846 -21.288 -25.548 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.894 -18.972 -27.375 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.757 -20.157 -26.291 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.997 -21.296 -27.601 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.515 -19.772 -28.547 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.058 -19.193 -29.142 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.029 -17.230 -28.371 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.086 -17.661 -27.041 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.099 -17.240 -25.909 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.004 -18.976 -26.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.072 -17.894 -26.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.383 -18.617 -28.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.283 -16.936 -27.880 1.00 0.00 H new ATOM 1367 N ASP A 86 -5.165 -20.130 -29.142 1.00 0.00 N ATOM 1368 CA ASP A 86 -5.889 -20.771 -30.234 1.00 0.00 C ATOM 1369 C ASP A 86 -5.056 -20.772 -31.512 1.00 0.00 C ATOM 1370 O ASP A 86 -4.023 -20.106 -31.592 1.00 0.00 O ATOM 1371 CB ASP A 86 -7.220 -20.059 -30.479 1.00 0.00 C ATOM 1372 CG ASP A 86 -8.097 -20.030 -29.243 1.00 0.00 C ATOM 1373 OD1 ASP A 86 -8.695 -21.077 -28.914 1.00 0.00 O ATOM 1374 OD2 ASP A 86 -8.186 -18.961 -28.603 1.00 0.00 O ATOM 0 H ASP A 86 -5.306 -19.122 -29.077 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.086 -21.805 -29.949 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.027 -19.038 -30.808 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.753 -20.559 -31.287 1.00 0.00 H new ATOM 1379 N SER A 87 -5.511 -21.524 -32.508 1.00 0.00 N ATOM 1380 CA SER A 87 -4.805 -21.616 -33.781 1.00 0.00 C ATOM 1381 C SER A 87 -5.788 -21.766 -34.938 1.00 0.00 C ATOM 1382 O SER A 87 -6.995 -21.886 -34.730 1.00 0.00 O ATOM 1383 CB SER A 87 -3.833 -22.798 -33.765 1.00 0.00 C ATOM 1384 OG SER A 87 -4.530 -24.030 -33.689 1.00 0.00 O ATOM 0 H SER A 87 -6.366 -22.079 -32.459 1.00 0.00 H new ATOM 0 HA SER A 87 -4.242 -20.694 -33.924 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.218 -22.779 -34.665 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.157 -22.706 -32.915 1.00 0.00 H new ATOM 0 HG SER A 87 -3.887 -24.770 -33.682 1.00 0.00 H new ATOM 1390 N GLY A 88 -5.261 -21.759 -36.159 1.00 0.00 N ATOM 1391 CA GLY A 88 -6.105 -21.895 -37.332 1.00 0.00 C ATOM 1392 C GLY A 88 -5.329 -22.339 -38.556 1.00 0.00 C ATOM 1393 O GLY A 88 -4.133 -22.080 -38.686 1.00 0.00 O ATOM 0 H GLY A 88 -4.265 -21.662 -36.357 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.896 -22.616 -37.125 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.590 -20.941 -37.539 1.00 0.00 H new ATOM 1397 N PRO A 89 -6.017 -23.026 -39.480 1.00 0.00 N ATOM 1398 CA PRO A 89 -5.404 -23.523 -40.715 1.00 0.00 C ATOM 1399 C PRO A 89 -5.046 -22.396 -41.678 1.00 0.00 C ATOM 1400 O PRO A 89 -5.108 -21.219 -41.323 1.00 0.00 O ATOM 1401 CB PRO A 89 -6.493 -24.415 -41.318 1.00 0.00 C ATOM 1402 CG PRO A 89 -7.769 -23.878 -40.768 1.00 0.00 C ATOM 1403 CD PRO A 89 -7.446 -23.371 -39.390 1.00 0.00 C ATOM 0 HA PRO A 89 -4.465 -24.043 -40.523 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.482 -24.372 -42.407 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.350 -25.459 -41.039 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.159 -23.077 -41.397 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.534 -24.654 -40.729 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.053 -22.504 -39.128 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.629 -24.130 -38.629 1.00 0.00 H new ATOM 1411 N SER A 90 -4.670 -22.764 -42.899 1.00 0.00 N ATOM 1412 CA SER A 90 -4.298 -21.784 -43.913 1.00 0.00 C ATOM 1413 C SER A 90 -4.290 -22.415 -45.302 1.00 0.00 C ATOM 1414 O SER A 90 -4.495 -23.619 -45.449 1.00 0.00 O ATOM 1415 CB SER A 90 -2.922 -21.192 -43.600 1.00 0.00 C ATOM 1416 OG SER A 90 -2.743 -19.946 -44.251 1.00 0.00 O ATOM 0 H SER A 90 -4.615 -23.734 -43.210 1.00 0.00 H new ATOM 0 HA SER A 90 -5.040 -20.986 -43.901 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.815 -21.062 -42.523 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.143 -21.886 -43.916 1.00 0.00 H new ATOM 0 HG SER A 90 -1.857 -19.588 -44.034 1.00 0.00 H new ATOM 1422 N SER A 91 -4.050 -21.592 -46.317 1.00 0.00 N ATOM 1423 CA SER A 91 -4.018 -22.067 -47.695 1.00 0.00 C ATOM 1424 C SER A 91 -5.180 -23.017 -47.969 1.00 0.00 C ATOM 1425 O SER A 91 -5.004 -24.071 -48.579 1.00 0.00 O ATOM 1426 CB SER A 91 -2.690 -22.770 -47.984 1.00 0.00 C ATOM 1427 OG SER A 91 -2.429 -23.780 -47.025 1.00 0.00 O ATOM 0 H SER A 91 -3.875 -20.593 -46.211 1.00 0.00 H new ATOM 0 HA SER A 91 -4.114 -21.204 -48.353 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.717 -23.209 -48.981 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.880 -22.041 -47.978 1.00 0.00 H new ATOM 0 HG SER A 91 -3.274 -24.084 -46.632 1.00 0.00 H new ATOM 1433 N GLY A 92 -6.369 -22.635 -47.513 1.00 0.00 N ATOM 1434 CA GLY A 92 -7.543 -23.464 -47.718 1.00 0.00 C ATOM 1435 C GLY A 92 -8.357 -23.028 -48.920 1.00 0.00 C ATOM 1436 O GLY A 92 -9.010 -23.848 -49.566 1.00 0.00 O ATOM 0 H GLY A 92 -6.540 -21.767 -47.006 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.234 -24.501 -47.849 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.169 -23.429 -46.827 1.00 0.00 H new TER 1440 GLY A 92