USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 788 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 11 SER OG : rot -115:sc= -1.43 USER MOD Set 1.2: A 59 GLN :FLIP amide:sc= -3.06! C(o=-7.9!,f=-4.5!) USER MOD Set 2.1: A 16 THR OG1 : rot -55:sc= 0.926 USER MOD Set 2.2: A 84 TYR OH : rot -115:sc= 1.14 USER MOD Set 3.1: A 5 HIS : no HD1:sc= -0.801 X(o=1.8,f=2) USER MOD Set 3.2: A 7 TYR OH : rot 119:sc= 1.44 USER MOD Set 3.3: A 47 LYS NZ :NH3+ -120:sc= 1.21 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -111:sc= -0.308 (180deg=-0.949) USER MOD Single : A 15 SER OG : rot 101:sc= 2.06 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0976 USER MOD Single : A 21 SER OG : rot 84:sc= -1.2! USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -0.0166 (180deg=-0.184) USER MOD Single : A 23 MET CE :methyl 150:sc= -4.37! (180deg=-9.33!) USER MOD Single : A 26 GLN : amide:sc= -9.28! C(o=-9.3!,f=-13!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 130:sc= -0.146 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 62 TYR OH : rot 31:sc= 1.19 USER MOD Single : A 63 MET CE :methyl -163:sc= -5.93! (180deg=-7.64!) USER MOD Single : A 68 GLN : amide:sc= -2.66! C(o=-2.7!,f=-7!) USER MOD Single : A 73 ASN : amide:sc= -0.0245 X(o=-0.025,f=-0.32) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -118:sc= 0.185 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00829) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 4 5.058 9.510 7.770 1.00 0.00 N ATOM 56 CA LYS A 4 3.798 9.345 6.991 1.00 0.00 C ATOM 57 C LYS A 4 3.648 7.878 6.505 1.00 0.00 C ATOM 58 O LYS A 4 4.587 7.142 6.373 1.00 0.00 O ATOM 59 CB LYS A 4 3.805 10.295 5.786 1.00 0.00 C ATOM 60 CG LYS A 4 2.823 11.474 6.009 1.00 0.00 C ATOM 61 CD LYS A 4 2.728 12.417 4.783 1.00 0.00 C ATOM 62 CE LYS A 4 3.187 13.815 5.181 1.00 0.00 C ATOM 63 NZ LYS A 4 3.339 14.671 3.986 1.00 0.00 N ATOM 0 HA LYS A 4 2.953 9.586 7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.812 10.680 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.526 9.749 4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.833 11.078 6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.143 12.048 6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.347 12.037 3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.703 12.450 4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.464 14.260 5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.135 13.754 5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.652 15.619 4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.046 14.253 3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.426 14.744 3.493 1.00 0.00 H new ATOM 77 N HIS A 5 2.343 7.483 6.304 1.00 0.00 N ATOM 78 CA HIS A 5 1.911 6.088 6.297 1.00 0.00 C ATOM 79 C HIS A 5 1.554 5.580 4.889 1.00 0.00 C ATOM 80 O HIS A 5 0.444 5.826 4.386 1.00 0.00 O ATOM 81 CB HIS A 5 0.716 5.883 7.274 1.00 0.00 C ATOM 82 CG HIS A 5 1.040 6.481 8.665 1.00 0.00 C ATOM 83 ND1 HIS A 5 0.153 6.921 9.571 1.00 0.00 N ATOM 84 CD2 HIS A 5 2.278 6.702 9.141 1.00 0.00 C ATOM 85 CE1 HIS A 5 0.831 7.443 10.607 1.00 0.00 C ATOM 86 NE2 HIS A 5 2.134 7.066 10.424 1.00 0.00 N ATOM 0 H HIS A 5 1.583 8.144 6.145 1.00 0.00 H new ATOM 0 HA HIS A 5 2.759 5.493 6.638 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -0.178 6.356 6.868 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.497 4.820 7.371 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.206 6.605 8.597 1.00 0.00 H new ATOM 0 HE1 HIS A 5 0.431 8.037 11.416 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.865 7.062 11.136 1.00 0.00 H new ATOM 94 N ILE A 6 2.468 4.782 4.326 1.00 0.00 N ATOM 95 CA ILE A 6 2.310 3.946 3.126 1.00 0.00 C ATOM 96 C ILE A 6 1.715 2.575 3.540 1.00 0.00 C ATOM 97 O ILE A 6 2.435 1.610 3.792 1.00 0.00 O ATOM 98 CB ILE A 6 3.525 3.870 2.217 1.00 0.00 C ATOM 99 CG1 ILE A 6 3.506 4.956 1.118 1.00 0.00 C ATOM 100 CG2 ILE A 6 3.773 2.445 1.651 1.00 0.00 C ATOM 101 CD1 ILE A 6 4.798 5.142 0.315 1.00 0.00 C ATOM 0 H ILE A 6 3.404 4.696 4.723 1.00 0.00 H new ATOM 0 HA ILE A 6 1.598 4.443 2.467 1.00 0.00 H new ATOM 0 HB ILE A 6 4.387 4.087 2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.702 4.721 0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.255 5.909 1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.654 2.457 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.933 1.749 2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.906 2.128 1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.657 5.931 -0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.609 5.417 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.048 4.211 -0.193 1.00 0.00 H new ATOM 113 N TYR A 7 0.363 2.554 3.632 1.00 0.00 N ATOM 114 CA TYR A 7 -0.465 1.444 4.078 1.00 0.00 C ATOM 115 C TYR A 7 -0.965 0.653 2.831 1.00 0.00 C ATOM 116 O TYR A 7 -1.042 1.180 1.733 1.00 0.00 O ATOM 117 CB TYR A 7 -1.642 1.924 4.922 1.00 0.00 C ATOM 118 CG TYR A 7 -1.302 2.471 6.325 1.00 0.00 C ATOM 119 CD1 TYR A 7 -0.157 2.059 6.999 1.00 0.00 C ATOM 120 CD2 TYR A 7 -2.209 3.391 6.873 1.00 0.00 C ATOM 121 CE1 TYR A 7 0.135 2.628 8.259 1.00 0.00 C ATOM 122 CE2 TYR A 7 -1.873 4.024 8.092 1.00 0.00 C ATOM 123 CZ TYR A 7 -0.779 3.526 8.809 1.00 0.00 C ATOM 124 OH TYR A 7 -0.623 3.929 10.113 1.00 0.00 O ATOM 0 H TYR A 7 -0.197 3.368 3.378 1.00 0.00 H new ATOM 0 HA TYR A 7 0.134 0.791 4.712 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.164 2.704 4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.340 1.095 5.038 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.498 1.317 6.567 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.142 3.610 6.375 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.044 2.373 8.783 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.443 4.865 8.458 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.496 4.900 10.142 1.00 0.00 H new ATOM 134 N LEU A 8 -1.236 -0.617 3.111 1.00 0.00 N ATOM 135 CA LEU A 8 -1.211 -1.718 2.021 1.00 0.00 C ATOM 136 C LEU A 8 -2.103 -2.854 2.637 1.00 0.00 C ATOM 137 O LEU A 8 -1.690 -3.487 3.565 1.00 0.00 O ATOM 138 CB LEU A 8 0.289 -2.220 2.192 1.00 0.00 C ATOM 139 CG LEU A 8 0.590 -3.683 1.884 1.00 0.00 C ATOM 140 CD1 LEU A 8 1.764 -3.957 0.923 1.00 0.00 C ATOM 141 CD2 LEU A 8 0.730 -4.508 3.202 1.00 0.00 C ATOM 0 H LEU A 8 -1.475 -0.955 4.043 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.512 -1.442 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.922 -1.606 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.592 -2.025 3.221 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.280 -4.020 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.877 -5.032 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.564 -3.486 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.682 -3.547 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.945 -5.549 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.544 -4.100 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.200 -4.452 3.767 1.00 0.00 H new ATOM 153 N PHE A 9 -3.353 -2.988 2.141 1.00 0.00 N ATOM 154 CA PHE A 9 -4.552 -3.494 2.871 1.00 0.00 C ATOM 155 C PHE A 9 -4.941 -4.854 2.310 1.00 0.00 C ATOM 156 O PHE A 9 -5.240 -5.007 1.119 1.00 0.00 O ATOM 157 CB PHE A 9 -5.660 -2.395 2.727 1.00 0.00 C ATOM 158 CG PHE A 9 -5.263 -1.042 3.419 1.00 0.00 C ATOM 159 CD1 PHE A 9 -4.794 -1.103 4.745 1.00 0.00 C ATOM 160 CD2 PHE A 9 -5.407 0.187 2.768 1.00 0.00 C ATOM 161 CE1 PHE A 9 -4.798 0.076 5.504 1.00 0.00 C ATOM 162 CE2 PHE A 9 -5.213 1.375 3.477 1.00 0.00 C ATOM 163 CZ PHE A 9 -4.806 1.320 4.825 1.00 0.00 C ATOM 0 H PHE A 9 -3.571 -2.737 1.177 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.374 -3.658 3.934 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.853 -2.215 1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.589 -2.762 3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.441 -2.033 5.166 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.667 0.218 1.720 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.795 0.037 6.583 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.374 2.328 2.996 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.502 2.221 5.338 1.00 0.00 H new ATOM 173 N SER A 10 -4.714 -5.973 3.048 1.00 0.00 N ATOM 174 CA SER A 10 -4.408 -7.308 2.646 1.00 0.00 C ATOM 175 C SER A 10 -5.317 -7.992 1.617 1.00 0.00 C ATOM 176 O SER A 10 -6.542 -7.900 1.637 1.00 0.00 O ATOM 177 CB SER A 10 -4.436 -8.207 3.939 1.00 0.00 C ATOM 178 OG SER A 10 -3.895 -9.505 3.700 1.00 0.00 O ATOM 0 H SER A 10 -4.755 -5.915 4.066 1.00 0.00 H new ATOM 0 HA SER A 10 -3.446 -7.213 2.142 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.870 -7.719 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.463 -8.302 4.292 1.00 0.00 H new ATOM 0 HG SER A 10 -3.929 -10.031 4.526 1.00 0.00 H new ATOM 184 N SER A 11 -4.647 -8.823 0.768 1.00 0.00 N ATOM 185 CA SER A 11 -5.204 -9.508 -0.394 1.00 0.00 C ATOM 186 C SER A 11 -5.808 -10.888 -0.024 1.00 0.00 C ATOM 187 O SER A 11 -6.630 -11.455 -0.708 1.00 0.00 O ATOM 188 CB SER A 11 -4.051 -9.742 -1.421 1.00 0.00 C ATOM 189 OG SER A 11 -4.256 -10.995 -2.118 1.00 0.00 O ATOM 0 H SER A 11 -3.657 -9.031 0.898 1.00 0.00 H new ATOM 0 HA SER A 11 -6.000 -8.887 -0.805 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.017 -8.920 -2.136 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.091 -9.756 -0.905 1.00 0.00 H new ATOM 0 HG SER A 11 -3.532 -11.617 -1.893 1.00 0.00 H new ATOM 195 N ALA A 12 -5.254 -11.413 1.095 1.00 0.00 N ATOM 196 CA ALA A 12 -5.650 -12.694 1.698 1.00 0.00 C ATOM 197 C ALA A 12 -4.509 -13.393 2.440 1.00 0.00 C ATOM 198 O ALA A 12 -4.777 -14.238 3.320 1.00 0.00 O ATOM 199 CB ALA A 12 -6.259 -13.634 0.642 1.00 0.00 C ATOM 0 H ALA A 12 -4.507 -10.945 1.608 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.407 -12.454 2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.544 -14.575 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.141 -13.166 0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.524 -13.828 -0.140 1.00 0.00 H new ATOM 205 N GLY A 13 -3.241 -13.112 2.061 1.00 0.00 N ATOM 206 CA GLY A 13 -2.064 -13.930 2.330 1.00 0.00 C ATOM 207 C GLY A 13 -0.772 -13.422 1.730 1.00 0.00 C ATOM 208 O GLY A 13 -0.733 -12.899 0.604 1.00 0.00 O ATOM 0 H GLY A 13 -3.014 -12.267 1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.937 -14.010 3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.248 -14.937 1.955 1.00 0.00 H new ATOM 212 N MET A 14 0.335 -13.506 2.515 1.00 0.00 N ATOM 213 CA MET A 14 1.733 -13.287 2.073 1.00 0.00 C ATOM 214 C MET A 14 1.847 -12.089 1.164 1.00 0.00 C ATOM 215 O MET A 14 0.920 -11.248 1.054 1.00 0.00 O ATOM 216 CB MET A 14 2.329 -14.576 1.520 1.00 0.00 C ATOM 217 CG MET A 14 2.454 -15.649 2.604 1.00 0.00 C ATOM 218 SD MET A 14 3.712 -15.234 3.921 1.00 0.00 S ATOM 219 CE MET A 14 2.585 -14.621 5.167 1.00 0.00 C ATOM 0 H MET A 14 0.273 -13.736 3.507 1.00 0.00 H new ATOM 0 HA MET A 14 2.348 -13.030 2.935 1.00 0.00 H new ATOM 0 HB2 MET A 14 1.703 -14.948 0.709 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.312 -14.370 1.096 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.482 -15.794 3.074 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.727 -16.596 2.137 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.724 -13.546 5.286 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.559 -14.822 4.860 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.785 -15.120 6.115 1.00 0.00 H new ATOM 229 N SER A 15 3.031 -11.898 0.540 1.00 0.00 N ATOM 230 CA SER A 15 3.472 -10.705 -0.163 1.00 0.00 C ATOM 231 C SER A 15 2.921 -9.378 0.373 1.00 0.00 C ATOM 232 O SER A 15 2.907 -8.365 -0.382 1.00 0.00 O ATOM 233 CB SER A 15 3.215 -10.851 -1.653 1.00 0.00 C ATOM 234 OG SER A 15 2.106 -11.734 -1.950 1.00 0.00 O ATOM 0 H SER A 15 3.740 -12.631 0.522 1.00 0.00 H new ATOM 0 HA SER A 15 4.543 -10.638 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.015 -9.868 -2.080 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.115 -11.231 -2.136 1.00 0.00 H new ATOM 0 HG SER A 15 1.311 -11.201 -2.162 1.00 0.00 H new ATOM 240 N THR A 16 2.535 -9.342 1.640 1.00 0.00 N ATOM 241 CA THR A 16 2.102 -8.166 2.429 1.00 0.00 C ATOM 242 C THR A 16 3.138 -7.820 3.483 1.00 0.00 C ATOM 243 O THR A 16 4.082 -7.027 3.284 1.00 0.00 O ATOM 244 CB THR A 16 0.706 -8.328 3.071 1.00 0.00 C ATOM 245 OG1 THR A 16 0.351 -9.696 3.308 1.00 0.00 O ATOM 246 CG2 THR A 16 -0.369 -7.506 2.356 1.00 0.00 C ATOM 0 H THR A 16 2.509 -10.194 2.200 1.00 0.00 H new ATOM 0 HA THR A 16 2.014 -7.342 1.721 1.00 0.00 H new ATOM 0 HB THR A 16 0.771 -7.893 4.068 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.417 -10.201 2.471 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.330 -7.657 2.848 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.104 -6.449 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.440 -7.826 1.316 1.00 0.00 H new ATOM 254 N SER A 17 2.955 -8.433 4.699 1.00 0.00 N ATOM 255 CA SER A 17 3.608 -7.968 5.937 1.00 0.00 C ATOM 256 C SER A 17 5.114 -7.709 5.708 1.00 0.00 C ATOM 257 O SER A 17 5.686 -6.738 6.209 1.00 0.00 O ATOM 258 CB SER A 17 3.450 -9.042 7.011 1.00 0.00 C ATOM 259 OG SER A 17 4.452 -10.068 6.888 1.00 0.00 O ATOM 0 H SER A 17 2.357 -9.249 4.830 1.00 0.00 H new ATOM 0 HA SER A 17 3.138 -7.035 6.249 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.518 -8.583 7.997 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.459 -9.490 6.935 1.00 0.00 H new ATOM 0 HG SER A 17 4.322 -10.738 7.592 1.00 0.00 H new ATOM 265 N LEU A 18 5.744 -8.611 4.906 1.00 0.00 N ATOM 266 CA LEU A 18 7.162 -8.642 4.610 1.00 0.00 C ATOM 267 C LEU A 18 7.481 -8.012 3.259 1.00 0.00 C ATOM 268 O LEU A 18 8.676 -8.010 2.869 1.00 0.00 O ATOM 269 CB LEU A 18 7.628 -10.106 4.727 1.00 0.00 C ATOM 270 CG LEU A 18 7.429 -11.041 3.498 1.00 0.00 C ATOM 271 CD1 LEU A 18 7.949 -12.452 3.721 1.00 0.00 C ATOM 272 CD2 LEU A 18 5.957 -10.984 3.019 1.00 0.00 C ATOM 0 H LEU A 18 5.234 -9.360 4.438 1.00 0.00 H new ATOM 0 HA LEU A 18 7.714 -8.033 5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.690 -10.099 4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.109 -10.554 5.574 1.00 0.00 H new ATOM 0 HG LEU A 18 8.051 -10.664 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.778 -13.049 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.017 -12.417 3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.425 -12.904 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.828 -11.641 2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.299 -11.308 3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.706 -9.962 2.735 1.00 0.00 H new ATOM 284 N LEU A 19 6.503 -7.520 2.504 1.00 0.00 N ATOM 285 CA LEU A 19 6.592 -6.600 1.363 1.00 0.00 C ATOM 286 C LEU A 19 6.399 -5.140 1.853 1.00 0.00 C ATOM 287 O LEU A 19 6.965 -4.220 1.279 1.00 0.00 O ATOM 288 CB LEU A 19 5.581 -6.994 0.353 1.00 0.00 C ATOM 289 CG LEU A 19 4.684 -6.093 -0.465 1.00 0.00 C ATOM 290 CD1 LEU A 19 4.984 -4.614 -0.539 1.00 0.00 C ATOM 291 CD2 LEU A 19 4.456 -6.695 -1.928 1.00 0.00 C ATOM 0 H LEU A 19 5.534 -7.777 2.690 1.00 0.00 H new ATOM 0 HA LEU A 19 7.576 -6.655 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.126 -7.591 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.905 -7.670 0.876 1.00 0.00 H new ATOM 0 HG LEU A 19 3.771 -6.102 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.241 -4.123 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.953 -4.186 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.976 -4.465 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.808 -6.030 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.416 -6.790 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.989 -7.677 -1.849 1.00 0.00 H new ATOM 303 N VAL A 20 5.593 -4.964 2.926 1.00 0.00 N ATOM 304 CA VAL A 20 5.654 -3.787 3.803 1.00 0.00 C ATOM 305 C VAL A 20 7.126 -3.593 4.310 1.00 0.00 C ATOM 306 O VAL A 20 7.709 -2.534 4.197 1.00 0.00 O ATOM 307 CB VAL A 20 4.648 -3.935 4.961 1.00 0.00 C ATOM 308 CG1 VAL A 20 4.790 -2.896 6.076 1.00 0.00 C ATOM 309 CG2 VAL A 20 3.188 -4.063 4.509 1.00 0.00 C ATOM 0 H VAL A 20 4.882 -5.641 3.203 1.00 0.00 H new ATOM 0 HA VAL A 20 5.372 -2.891 3.250 1.00 0.00 H new ATOM 0 HB VAL A 20 4.933 -4.891 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.040 -3.082 6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.785 -2.967 6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.647 -1.897 5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.544 -4.163 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.902 -3.174 3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.079 -4.943 3.875 1.00 0.00 H new ATOM 319 N SER A 21 7.636 -4.681 4.971 1.00 0.00 N ATOM 320 CA SER A 21 8.912 -4.667 5.719 1.00 0.00 C ATOM 321 C SER A 21 10.129 -4.764 4.817 1.00 0.00 C ATOM 322 O SER A 21 11.290 -4.577 5.260 1.00 0.00 O ATOM 323 CB SER A 21 8.885 -5.775 6.786 1.00 0.00 C ATOM 324 OG SER A 21 7.817 -5.533 7.745 1.00 0.00 O ATOM 0 H SER A 21 7.165 -5.585 4.992 1.00 0.00 H new ATOM 0 HA SER A 21 9.008 -3.701 6.214 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.741 -6.744 6.309 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.844 -5.814 7.303 1.00 0.00 H new ATOM 0 HG SER A 21 6.973 -5.884 7.391 1.00 0.00 H new ATOM 330 N LYS A 22 9.882 -5.043 3.508 1.00 0.00 N ATOM 331 CA LYS A 22 10.923 -4.870 2.469 1.00 0.00 C ATOM 332 C LYS A 22 10.970 -3.412 1.965 1.00 0.00 C ATOM 333 O LYS A 22 12.039 -2.860 1.729 1.00 0.00 O ATOM 334 CB LYS A 22 10.694 -5.843 1.294 1.00 0.00 C ATOM 335 CG LYS A 22 11.980 -5.942 0.440 1.00 0.00 C ATOM 336 CD LYS A 22 11.821 -6.675 -0.906 1.00 0.00 C ATOM 337 CE LYS A 22 12.310 -8.123 -0.780 1.00 0.00 C ATOM 338 NZ LYS A 22 13.767 -8.188 -0.711 1.00 0.00 N ATOM 0 H LYS A 22 8.987 -5.382 3.156 1.00 0.00 H new ATOM 0 HA LYS A 22 11.887 -5.101 2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.421 -6.828 1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.863 -5.497 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.346 -4.934 0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.746 -6.452 1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.776 -6.662 -1.215 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.388 -6.158 -1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.881 -8.577 0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.958 -8.703 -1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.085 -9.141 -0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.177 -7.489 -1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.078 -7.981 0.260 1.00 0.00 H new ATOM 352 N MET A 23 9.783 -2.791 1.778 1.00 0.00 N ATOM 353 CA MET A 23 9.551 -1.354 1.632 1.00 0.00 C ATOM 354 C MET A 23 10.251 -0.505 2.688 1.00 0.00 C ATOM 355 O MET A 23 11.070 0.413 2.395 1.00 0.00 O ATOM 356 CB MET A 23 8.060 -1.025 1.543 1.00 0.00 C ATOM 357 CG MET A 23 7.385 -1.642 0.304 1.00 0.00 C ATOM 358 SD MET A 23 5.651 -0.951 0.077 1.00 0.00 S ATOM 359 CE MET A 23 6.087 0.803 0.185 1.00 0.00 C ATOM 0 H MET A 23 8.914 -3.322 1.723 1.00 0.00 H new ATOM 0 HA MET A 23 10.013 -1.082 0.683 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.559 -1.386 2.441 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.932 0.057 1.519 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.983 -1.435 -0.583 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.339 -2.726 0.411 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.392 1.388 -0.417 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.031 1.129 1.224 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.101 0.949 -0.187 1.00 0.00 H new ATOM 369 N ARG A 24 9.935 -0.764 3.977 1.00 0.00 N ATOM 370 CA ARG A 24 10.698 -0.327 5.157 1.00 0.00 C ATOM 371 C ARG A 24 12.203 -0.484 4.981 1.00 0.00 C ATOM 372 O ARG A 24 13.015 0.320 5.464 1.00 0.00 O ATOM 373 CB ARG A 24 10.213 -1.026 6.436 1.00 0.00 C ATOM 374 CG ARG A 24 9.050 -0.249 7.115 1.00 0.00 C ATOM 375 CD ARG A 24 7.706 -0.919 6.905 1.00 0.00 C ATOM 376 NE ARG A 24 6.974 -1.095 8.176 1.00 0.00 N ATOM 377 CZ ARG A 24 6.988 -2.158 8.973 1.00 0.00 C ATOM 378 NH1 ARG A 24 7.790 -3.232 8.742 1.00 0.00 N ATOM 379 NH2 ARG A 24 6.249 -2.191 10.109 1.00 0.00 N ATOM 0 H ARG A 24 9.108 -1.305 4.228 1.00 0.00 H new ATOM 0 HA ARG A 24 10.506 0.741 5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.883 -2.036 6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.044 -1.121 7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.248 -0.165 8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.013 0.765 6.717 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.105 -0.321 6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.854 -1.891 6.434 1.00 0.00 H new ATOM 0 HE ARG A 24 6.392 -0.312 8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.410 -3.240 7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.771 -4.029 9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.670 -1.391 10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.272 -3.016 10.709 1.00 0.00 H new ATOM 393 N ALA A 25 12.597 -1.607 4.343 1.00 0.00 N ATOM 394 CA ALA A 25 13.960 -1.840 3.827 1.00 0.00 C ATOM 395 C ALA A 25 14.398 -0.784 2.818 1.00 0.00 C ATOM 396 O ALA A 25 15.407 -0.096 2.986 1.00 0.00 O ATOM 397 CB ALA A 25 14.114 -3.259 3.260 1.00 0.00 C ATOM 0 H ALA A 25 11.965 -2.389 4.170 1.00 0.00 H new ATOM 0 HA ALA A 25 14.632 -1.748 4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 25 15.130 -3.394 2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.914 -3.988 4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.407 -3.403 2.443 1.00 0.00 H new ATOM 403 N GLN A 26 13.636 -0.700 1.684 1.00 0.00 N ATOM 404 CA GLN A 26 13.564 0.428 0.785 1.00 0.00 C ATOM 405 C GLN A 26 13.806 1.776 1.528 1.00 0.00 C ATOM 406 O GLN A 26 14.769 2.479 1.235 1.00 0.00 O ATOM 407 CB GLN A 26 12.221 0.456 0.072 1.00 0.00 C ATOM 408 CG GLN A 26 11.929 -0.605 -0.948 1.00 0.00 C ATOM 409 CD GLN A 26 12.687 -1.914 -0.794 1.00 0.00 C ATOM 410 OE1 GLN A 26 12.160 -3.043 -0.652 1.00 0.00 O ATOM 411 NE2 GLN A 26 14.047 -1.876 -0.890 1.00 0.00 N ATOM 0 H GLN A 26 13.038 -1.470 1.385 1.00 0.00 H new ATOM 0 HA GLN A 26 14.357 0.308 0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.441 0.408 0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.127 1.424 -0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.861 -0.822 -0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.145 -0.199 -1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.525 -0.983 -1.007 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.586 -2.741 -0.845 1.00 0.00 H new ATOM 420 N ALA A 27 12.864 2.157 2.416 1.00 0.00 N ATOM 421 CA ALA A 27 12.678 3.515 2.948 1.00 0.00 C ATOM 422 C ALA A 27 13.609 3.814 4.127 1.00 0.00 C ATOM 423 O ALA A 27 13.852 4.986 4.484 1.00 0.00 O ATOM 424 CB ALA A 27 11.201 3.695 3.429 1.00 0.00 C ATOM 0 H ALA A 27 12.186 1.496 2.795 1.00 0.00 H new ATOM 0 HA ALA A 27 12.915 4.207 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 27 11.067 4.703 3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.523 3.540 2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.982 2.968 4.211 1.00 0.00 H new ATOM 430 N GLU A 28 14.097 2.751 4.782 1.00 0.00 N ATOM 431 CA GLU A 28 15.242 2.804 5.734 1.00 0.00 C ATOM 432 C GLU A 28 16.574 2.647 4.944 1.00 0.00 C ATOM 433 O GLU A 28 17.653 2.916 5.475 1.00 0.00 O ATOM 434 CB GLU A 28 15.086 1.630 6.734 1.00 0.00 C ATOM 435 CG GLU A 28 13.929 1.855 7.697 1.00 0.00 C ATOM 436 CD GLU A 28 13.832 3.315 8.193 1.00 0.00 C ATOM 437 OE1 GLU A 28 14.883 3.959 8.308 1.00 0.00 O ATOM 438 OE2 GLU A 28 12.652 3.680 8.477 1.00 0.00 O ATOM 0 H GLU A 28 13.711 1.813 4.672 1.00 0.00 H new ATOM 0 HA GLU A 28 15.256 3.755 6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.925 0.703 6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 28 16.010 1.509 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.996 1.581 7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.043 1.192 8.555 1.00 0.00 H new ATOM 445 N LYS A 29 16.447 2.108 3.726 1.00 0.00 N ATOM 446 CA LYS A 29 17.524 2.169 2.694 1.00 0.00 C ATOM 447 C LYS A 29 17.678 3.592 2.138 1.00 0.00 C ATOM 448 O LYS A 29 18.800 4.116 2.081 1.00 0.00 O ATOM 449 CB LYS A 29 17.194 1.164 1.560 1.00 0.00 C ATOM 450 CG LYS A 29 17.863 1.561 0.251 1.00 0.00 C ATOM 451 CD LYS A 29 18.529 0.410 -0.533 1.00 0.00 C ATOM 452 CE LYS A 29 17.529 -0.771 -0.617 1.00 0.00 C ATOM 453 NZ LYS A 29 18.053 -1.821 -1.533 1.00 0.00 N ATOM 0 H LYS A 29 15.608 1.618 3.416 1.00 0.00 H new ATOM 0 HA LYS A 29 18.475 1.898 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.523 0.166 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.114 1.115 1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.117 2.029 -0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.619 2.317 0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.806 0.744 -1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 29 19.447 0.095 -0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.367 -1.191 0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.563 -0.415 -0.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.375 -2.608 -1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.186 -1.418 -2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 18.965 -2.171 -1.175 1.00 0.00 H new ATOM 467 N TYR A 30 16.544 4.186 1.677 1.00 0.00 N ATOM 468 CA TYR A 30 16.504 5.449 0.896 1.00 0.00 C ATOM 469 C TYR A 30 16.158 6.631 1.823 1.00 0.00 C ATOM 470 O TYR A 30 16.351 7.800 1.480 1.00 0.00 O ATOM 471 CB TYR A 30 15.483 5.316 -0.247 1.00 0.00 C ATOM 472 CG TYR A 30 15.801 4.275 -1.325 1.00 0.00 C ATOM 473 CD1 TYR A 30 16.755 4.542 -2.324 1.00 0.00 C ATOM 474 CD2 TYR A 30 15.089 3.076 -1.278 1.00 0.00 C ATOM 475 CE1 TYR A 30 17.175 3.486 -3.167 1.00 0.00 C ATOM 476 CE2 TYR A 30 15.501 2.015 -2.082 1.00 0.00 C ATOM 477 CZ TYR A 30 16.509 2.252 -3.044 1.00 0.00 C ATOM 478 OH TYR A 30 16.864 1.231 -3.896 1.00 0.00 O ATOM 0 H TYR A 30 15.618 3.792 1.842 1.00 0.00 H new ATOM 0 HA TYR A 30 17.484 5.642 0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.513 5.073 0.187 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.382 6.288 -0.730 1.00 0.00 H new ATOM 0 HD1 TYR A 30 17.160 5.536 -2.445 1.00 0.00 H new ATOM 0 HD2 TYR A 30 14.232 2.972 -0.629 1.00 0.00 H new ATOM 0 HE1 TYR A 30 17.976 3.622 -3.878 1.00 0.00 H new ATOM 0 HE2 TYR A 30 15.061 1.035 -1.973 1.00 0.00 H new ATOM 0 HH TYR A 30 17.036 0.417 -3.378 1.00 0.00 H new ATOM 488 N GLU A 31 15.654 6.280 3.016 1.00 0.00 N ATOM 489 CA GLU A 31 15.292 7.220 4.109 1.00 0.00 C ATOM 490 C GLU A 31 13.927 7.866 3.853 1.00 0.00 C ATOM 491 O GLU A 31 13.563 8.844 4.517 1.00 0.00 O ATOM 492 CB GLU A 31 16.380 8.326 4.189 1.00 0.00 C ATOM 493 CG GLU A 31 16.078 9.320 5.326 1.00 0.00 C ATOM 494 CD GLU A 31 17.279 10.176 5.771 1.00 0.00 C ATOM 495 OE1 GLU A 31 18.186 9.548 6.419 1.00 0.00 O ATOM 496 OE2 GLU A 31 17.308 11.378 5.480 1.00 0.00 O ATOM 0 H GLU A 31 15.478 5.306 3.263 1.00 0.00 H new ATOM 0 HA GLU A 31 15.234 6.668 5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 31 17.356 7.869 4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.431 8.859 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.275 9.984 5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.707 8.764 6.187 1.00 0.00 H new ATOM 503 N VAL A 32 13.213 7.386 2.800 1.00 0.00 N ATOM 504 CA VAL A 32 11.813 7.751 2.497 1.00 0.00 C ATOM 505 C VAL A 32 10.943 7.677 3.759 1.00 0.00 C ATOM 506 O VAL A 32 10.639 6.585 4.301 1.00 0.00 O ATOM 507 CB VAL A 32 11.290 6.791 1.382 1.00 0.00 C ATOM 508 CG1 VAL A 32 9.785 6.957 1.079 1.00 0.00 C ATOM 509 CG2 VAL A 32 12.146 6.886 0.103 1.00 0.00 C ATOM 0 H VAL A 32 13.605 6.724 2.130 1.00 0.00 H new ATOM 0 HA VAL A 32 11.762 8.780 2.143 1.00 0.00 H new ATOM 0 HB VAL A 32 11.399 5.783 1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.492 6.258 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.208 6.753 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.591 7.977 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.752 6.204 -0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.116 7.906 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.176 6.615 0.334 1.00 0.00 H new ATOM 519 N PRO A 33 10.570 8.850 4.310 1.00 0.00 N ATOM 520 CA PRO A 33 10.058 9.071 5.690 1.00 0.00 C ATOM 521 C PRO A 33 8.552 8.705 5.962 1.00 0.00 C ATOM 522 O PRO A 33 7.876 9.295 6.746 1.00 0.00 O ATOM 523 CB PRO A 33 10.376 10.508 6.050 1.00 0.00 C ATOM 524 CG PRO A 33 10.282 11.215 4.672 1.00 0.00 C ATOM 525 CD PRO A 33 10.856 10.166 3.705 1.00 0.00 C ATOM 0 HA PRO A 33 10.565 8.358 6.340 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.664 10.916 6.767 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.367 10.608 6.493 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.254 11.475 4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.858 12.140 4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.396 10.250 2.721 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.928 10.307 3.569 1.00 0.00 H new ATOM 533 N VAL A 34 8.225 7.550 5.302 1.00 0.00 N ATOM 534 CA VAL A 34 6.850 7.074 5.139 1.00 0.00 C ATOM 535 C VAL A 34 6.717 5.604 5.543 1.00 0.00 C ATOM 536 O VAL A 34 6.887 4.682 4.726 1.00 0.00 O ATOM 537 CB VAL A 34 6.301 7.460 3.760 1.00 0.00 C ATOM 538 CG1 VAL A 34 4.919 6.834 3.412 1.00 0.00 C ATOM 539 CG2 VAL A 34 6.249 9.002 3.549 1.00 0.00 C ATOM 0 H VAL A 34 8.921 6.938 4.876 1.00 0.00 H new ATOM 0 HA VAL A 34 6.190 7.587 5.839 1.00 0.00 H new ATOM 0 HB VAL A 34 7.023 7.029 3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.610 7.162 2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.998 5.747 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.179 7.154 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.853 9.220 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.604 9.451 4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.254 9.415 3.638 1.00 0.00 H new ATOM 549 N ILE A 35 6.503 5.375 6.831 1.00 0.00 N ATOM 550 CA ILE A 35 6.027 4.110 7.462 1.00 0.00 C ATOM 551 C ILE A 35 5.020 3.414 6.537 1.00 0.00 C ATOM 552 O ILE A 35 3.968 3.973 6.186 1.00 0.00 O ATOM 553 CB ILE A 35 5.519 4.405 8.883 1.00 0.00 C ATOM 554 CG1 ILE A 35 6.605 4.313 9.963 1.00 0.00 C ATOM 555 CG2 ILE A 35 4.183 3.820 9.257 1.00 0.00 C ATOM 556 CD1 ILE A 35 8.026 4.755 9.505 1.00 0.00 C ATOM 0 H ILE A 35 6.662 6.104 7.526 1.00 0.00 H new ATOM 0 HA ILE A 35 6.841 3.395 7.586 1.00 0.00 H new ATOM 0 HB ILE A 35 5.269 5.465 8.836 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.305 4.928 10.812 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.658 3.284 10.318 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.938 4.099 10.282 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.417 4.203 8.583 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.226 2.734 9.177 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.724 4.655 10.336 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.354 4.125 8.678 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.996 5.795 9.180 1.00 0.00 H new ATOM 568 N ILE A 36 5.359 2.191 6.111 1.00 0.00 N ATOM 569 CA ILE A 36 4.472 1.162 5.499 1.00 0.00 C ATOM 570 C ILE A 36 3.666 0.454 6.621 1.00 0.00 C ATOM 571 O ILE A 36 4.077 0.469 7.789 1.00 0.00 O ATOM 572 CB ILE A 36 5.273 0.206 4.580 1.00 0.00 C ATOM 573 CG1 ILE A 36 6.542 0.826 3.997 1.00 0.00 C ATOM 574 CG2 ILE A 36 4.392 -0.495 3.524 1.00 0.00 C ATOM 575 CD1 ILE A 36 6.517 2.292 3.660 1.00 0.00 C ATOM 0 H ILE A 36 6.321 1.860 6.184 1.00 0.00 H new ATOM 0 HA ILE A 36 3.745 1.631 4.836 1.00 0.00 H new ATOM 0 HB ILE A 36 5.631 -0.586 5.238 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.352 0.660 4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.796 0.278 3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.011 -1.151 2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.623 -1.084 4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.919 0.254 2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.485 2.589 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.741 2.482 2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.307 2.869 4.561 1.00 0.00 H new ATOM 587 N GLU A 37 2.496 -0.101 6.262 1.00 0.00 N ATOM 588 CA GLU A 37 1.738 -1.083 7.046 1.00 0.00 C ATOM 589 C GLU A 37 0.584 -1.701 6.249 1.00 0.00 C ATOM 590 O GLU A 37 -0.078 -1.056 5.452 1.00 0.00 O ATOM 591 CB GLU A 37 1.290 -0.545 8.396 1.00 0.00 C ATOM 592 CG GLU A 37 2.377 -0.676 9.485 1.00 0.00 C ATOM 593 CD GLU A 37 2.408 -2.092 10.124 1.00 0.00 C ATOM 594 OE1 GLU A 37 1.425 -2.841 9.973 1.00 0.00 O ATOM 595 OE2 GLU A 37 3.472 -2.346 10.764 1.00 0.00 O ATOM 0 H GLU A 37 2.037 0.134 5.382 1.00 0.00 H new ATOM 0 HA GLU A 37 2.433 -1.894 7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.013 0.504 8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.396 -1.080 8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.352 -0.455 9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.200 0.067 10.263 1.00 0.00 H new ATOM 602 N ALA A 38 0.438 -3.053 6.434 1.00 0.00 N ATOM 603 CA ALA A 38 -0.731 -3.809 5.955 1.00 0.00 C ATOM 604 C ALA A 38 -1.906 -3.700 6.904 1.00 0.00 C ATOM 605 O ALA A 38 -1.709 -3.369 8.115 1.00 0.00 O ATOM 606 CB ALA A 38 -0.316 -5.293 5.741 1.00 0.00 C ATOM 0 H ALA A 38 1.129 -3.628 6.916 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.062 -3.381 5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.174 -5.863 5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.484 -5.344 5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.033 -5.713 6.684 1.00 0.00 H new ATOM 612 N PHE A 39 -3.158 -3.908 6.443 1.00 0.00 N ATOM 613 CA PHE A 39 -4.433 -3.968 7.160 1.00 0.00 C ATOM 614 C PHE A 39 -5.520 -4.623 6.310 1.00 0.00 C ATOM 615 O PHE A 39 -5.423 -4.644 5.099 1.00 0.00 O ATOM 616 CB PHE A 39 -4.818 -2.595 7.713 1.00 0.00 C ATOM 617 CG PHE A 39 -3.748 -1.868 8.586 1.00 0.00 C ATOM 618 CD1 PHE A 39 -3.616 -2.200 9.963 1.00 0.00 C ATOM 619 CD2 PHE A 39 -2.867 -1.000 7.979 1.00 0.00 C ATOM 620 CE1 PHE A 39 -2.530 -1.640 10.689 1.00 0.00 C ATOM 621 CE2 PHE A 39 -1.950 -0.258 8.755 1.00 0.00 C ATOM 622 CZ PHE A 39 -1.839 -0.568 10.127 1.00 0.00 C ATOM 0 H PHE A 39 -3.307 -4.054 5.445 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.316 -4.615 8.029 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.069 -1.948 6.873 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.723 -2.709 8.309 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.322 -2.860 10.444 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.878 -0.887 6.905 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.247 -2.036 11.653 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.351 0.524 8.311 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.204 0.039 10.756 1.00 0.00 H new ATOM 632 N PRO A 40 -6.510 -5.319 6.951 1.00 0.00 N ATOM 633 CA PRO A 40 -7.480 -6.246 6.287 1.00 0.00 C ATOM 634 C PRO A 40 -8.745 -5.642 5.639 1.00 0.00 C ATOM 635 O PRO A 40 -9.903 -5.919 5.896 1.00 0.00 O ATOM 636 CB PRO A 40 -7.759 -7.320 7.300 1.00 0.00 C ATOM 637 CG PRO A 40 -7.487 -6.717 8.641 1.00 0.00 C ATOM 638 CD PRO A 40 -6.623 -5.463 8.419 1.00 0.00 C ATOM 0 HA PRO A 40 -7.016 -6.630 5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.792 -7.661 7.230 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.124 -8.189 7.129 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.420 -6.456 9.140 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.970 -7.430 9.284 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.086 -4.583 8.866 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.641 -5.576 8.880 1.00 0.00 H new ATOM 646 N GLU A 41 -8.414 -4.855 4.566 1.00 0.00 N ATOM 647 CA GLU A 41 -9.222 -3.799 3.989 1.00 0.00 C ATOM 648 C GLU A 41 -9.969 -2.954 5.007 1.00 0.00 C ATOM 649 O GLU A 41 -9.860 -1.714 4.995 1.00 0.00 O ATOM 650 CB GLU A 41 -10.156 -4.302 2.853 1.00 0.00 C ATOM 651 CG GLU A 41 -11.430 -4.927 3.396 1.00 0.00 C ATOM 652 CD GLU A 41 -12.474 -5.414 2.407 1.00 0.00 C ATOM 653 OE1 GLU A 41 -12.372 -6.588 1.956 1.00 0.00 O ATOM 654 OE2 GLU A 41 -13.462 -4.634 2.123 1.00 0.00 O ATOM 0 H GLU A 41 -7.526 -4.969 4.077 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.496 -3.126 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.412 -3.469 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.625 -5.034 2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.144 -5.773 4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.907 -4.195 4.049 1.00 0.00 H new ATOM 661 N THR A 42 -10.783 -3.587 5.897 1.00 0.00 N ATOM 662 CA THR A 42 -11.424 -3.102 7.106 1.00 0.00 C ATOM 663 C THR A 42 -10.924 -1.728 7.548 1.00 0.00 C ATOM 664 O THR A 42 -11.712 -0.828 7.908 1.00 0.00 O ATOM 665 CB THR A 42 -11.634 -4.016 8.260 1.00 0.00 C ATOM 666 OG1 THR A 42 -11.225 -3.418 9.530 1.00 0.00 O ATOM 667 CG2 THR A 42 -11.212 -5.468 8.092 1.00 0.00 C ATOM 0 H THR A 42 -11.020 -4.567 5.745 1.00 0.00 H new ATOM 0 HA THR A 42 -12.443 -3.022 6.728 1.00 0.00 H new ATOM 0 HB THR A 42 -12.718 -4.124 8.288 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.384 -4.055 10.258 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.423 -6.017 9.010 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.766 -5.915 7.267 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.144 -5.514 7.879 1.00 0.00 H new ATOM 675 N LEU A 43 -9.572 -1.593 7.557 1.00 0.00 N ATOM 676 CA LEU A 43 -8.800 -0.521 8.187 1.00 0.00 C ATOM 677 C LEU A 43 -8.553 0.603 7.133 1.00 0.00 C ATOM 678 O LEU A 43 -8.412 1.749 7.510 1.00 0.00 O ATOM 679 CB LEU A 43 -7.421 -1.139 8.593 1.00 0.00 C ATOM 680 CG LEU A 43 -6.870 -0.787 9.982 1.00 0.00 C ATOM 681 CD1 LEU A 43 -7.557 0.466 10.635 1.00 0.00 C ATOM 682 CD2 LEU A 43 -6.846 -1.972 10.961 1.00 0.00 C ATOM 0 H LEU A 43 -8.970 -2.274 7.095 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.322 -0.106 9.049 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.506 -2.224 8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.683 -0.833 7.851 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.832 -0.518 9.786 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.116 0.654 11.614 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.408 1.337 9.997 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.625 0.278 10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.444 -1.644 11.920 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.859 -2.348 11.102 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.218 -2.765 10.557 1.00 0.00 H new ATOM 694 N ALA A 44 -8.492 0.198 5.856 1.00 0.00 N ATOM 695 CA ALA A 44 -8.249 1.102 4.693 1.00 0.00 C ATOM 696 C ALA A 44 -8.886 2.470 4.898 1.00 0.00 C ATOM 697 O ALA A 44 -8.355 3.493 4.404 1.00 0.00 O ATOM 698 CB ALA A 44 -8.637 0.447 3.387 1.00 0.00 C ATOM 0 H ALA A 44 -8.610 -0.778 5.585 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.176 1.282 4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.446 1.135 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.049 -0.460 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.697 0.192 3.408 1.00 0.00 H new ATOM 704 N GLY A 45 -10.040 2.500 5.552 1.00 0.00 N ATOM 705 CA GLY A 45 -10.836 3.740 5.841 1.00 0.00 C ATOM 706 C GLY A 45 -10.161 4.603 6.922 1.00 0.00 C ATOM 707 O GLY A 45 -10.138 5.842 6.843 1.00 0.00 O ATOM 0 H GLY A 45 -10.480 1.655 5.915 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.949 4.323 4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.838 3.463 6.168 1.00 0.00 H new ATOM 711 N GLU A 46 -9.683 3.900 8.002 1.00 0.00 N ATOM 712 CA GLU A 46 -9.147 4.486 9.218 1.00 0.00 C ATOM 713 C GLU A 46 -7.597 4.660 9.121 1.00 0.00 C ATOM 714 O GLU A 46 -7.043 5.689 9.463 1.00 0.00 O ATOM 715 CB GLU A 46 -9.525 3.727 10.470 1.00 0.00 C ATOM 716 CG GLU A 46 -9.653 4.633 11.698 1.00 0.00 C ATOM 717 CD GLU A 46 -8.644 4.335 12.846 1.00 0.00 C ATOM 718 OE1 GLU A 46 -8.084 3.221 12.806 1.00 0.00 O ATOM 719 OE2 GLU A 46 -8.484 5.238 13.724 1.00 0.00 O ATOM 0 H GLU A 46 -9.673 2.880 8.021 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.609 5.469 9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.471 3.211 10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.774 2.961 10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.524 5.668 11.382 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.665 4.544 12.092 1.00 0.00 H new ATOM 726 N LYS A 47 -6.934 3.546 8.690 1.00 0.00 N ATOM 727 CA LYS A 47 -5.489 3.545 8.340 1.00 0.00 C ATOM 728 C LYS A 47 -5.212 4.415 7.092 1.00 0.00 C ATOM 729 O LYS A 47 -4.450 5.363 7.152 1.00 0.00 O ATOM 730 CB LYS A 47 -4.985 2.120 8.121 1.00 0.00 C ATOM 731 CG LYS A 47 -4.433 1.545 9.463 1.00 0.00 C ATOM 732 CD LYS A 47 -3.242 2.292 10.055 1.00 0.00 C ATOM 733 CE LYS A 47 -3.177 2.113 11.574 1.00 0.00 C ATOM 734 NZ LYS A 47 -2.180 3.026 12.188 1.00 0.00 N ATOM 0 H LYS A 47 -7.384 2.637 8.578 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.946 3.979 9.179 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.794 1.491 7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.203 2.113 7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.239 1.542 10.196 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.145 0.506 9.302 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.319 1.927 9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.318 3.352 9.814 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.160 2.302 12.006 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.919 1.080 11.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.453 2.467 12.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.732 3.601 11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.655 3.651 12.870 1.00 0.00 H new ATOM 748 N GLY A 48 -5.826 3.979 5.961 1.00 0.00 N ATOM 749 CA GLY A 48 -5.812 4.764 4.701 1.00 0.00 C ATOM 750 C GLY A 48 -6.073 6.257 4.916 1.00 0.00 C ATOM 751 O GLY A 48 -5.255 7.104 4.447 1.00 0.00 O ATOM 0 H GLY A 48 -6.332 3.096 5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.846 4.638 4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.566 4.364 4.023 1.00 0.00 H new ATOM 755 N GLN A 49 -7.148 6.600 5.648 1.00 0.00 N ATOM 756 CA GLN A 49 -7.439 7.988 6.137 1.00 0.00 C ATOM 757 C GLN A 49 -6.165 8.667 6.662 1.00 0.00 C ATOM 758 O GLN A 49 -5.846 9.800 6.285 1.00 0.00 O ATOM 759 CB GLN A 49 -8.435 7.812 7.300 1.00 0.00 C ATOM 760 CG GLN A 49 -8.878 9.163 7.915 1.00 0.00 C ATOM 761 CD GLN A 49 -10.046 8.947 8.934 1.00 0.00 C ATOM 762 OE1 GLN A 49 -9.963 9.271 10.129 1.00 0.00 O ATOM 763 NE2 GLN A 49 -11.151 8.412 8.453 1.00 0.00 N ATOM 0 H GLN A 49 -7.857 5.922 5.928 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.832 8.611 5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.313 7.274 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.978 7.197 8.075 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.033 9.635 8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.199 9.841 7.124 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.205 8.151 7.468 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.952 8.259 9.065 1.00 0.00 H new ATOM 772 N ASN A 50 -5.430 7.980 7.576 1.00 0.00 N ATOM 773 CA ASN A 50 -4.180 8.453 8.213 1.00 0.00 C ATOM 774 C ASN A 50 -2.973 8.197 7.271 1.00 0.00 C ATOM 775 O ASN A 50 -1.804 8.424 7.674 1.00 0.00 O ATOM 776 CB ASN A 50 -3.972 7.721 9.572 1.00 0.00 C ATOM 777 CG ASN A 50 -4.964 8.195 10.656 1.00 0.00 C ATOM 778 OD1 ASN A 50 -6.191 8.256 10.427 1.00 0.00 O ATOM 779 ND2 ASN A 50 -4.488 8.592 11.829 1.00 0.00 N ATOM 0 H ASN A 50 -5.704 7.052 7.898 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.255 9.525 8.398 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.086 6.647 9.424 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.952 7.888 9.919 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.123 8.947 12.544 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.487 8.542 12.016 1.00 0.00 H new ATOM 786 N ALA A 51 -3.240 7.580 6.120 1.00 0.00 N ATOM 787 CA ALA A 51 -2.279 7.183 5.106 1.00 0.00 C ATOM 788 C ALA A 51 -1.938 8.366 4.157 1.00 0.00 C ATOM 789 O ALA A 51 -2.783 9.232 3.876 1.00 0.00 O ATOM 790 CB ALA A 51 -2.829 6.004 4.245 1.00 0.00 C ATOM 0 H ALA A 51 -4.194 7.331 5.860 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.378 6.867 5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.090 5.726 3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.032 5.148 4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.750 6.313 3.751 1.00 0.00 H new ATOM 796 N ASP A 52 -0.664 8.411 3.740 1.00 0.00 N ATOM 797 CA ASP A 52 -0.092 9.262 2.679 1.00 0.00 C ATOM 798 C ASP A 52 -0.240 8.626 1.285 1.00 0.00 C ATOM 799 O ASP A 52 -0.249 9.318 0.252 1.00 0.00 O ATOM 800 CB ASP A 52 1.420 9.506 3.003 1.00 0.00 C ATOM 801 CG ASP A 52 1.993 10.734 2.277 1.00 0.00 C ATOM 802 OD1 ASP A 52 1.174 11.641 1.983 1.00 0.00 O ATOM 803 OD2 ASP A 52 3.206 10.726 1.977 1.00 0.00 O ATOM 0 H ASP A 52 0.046 7.813 4.163 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.637 10.206 2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.540 9.636 4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.994 8.623 2.723 1.00 0.00 H new ATOM 808 N VAL A 53 -0.130 7.254 1.242 1.00 0.00 N ATOM 809 CA VAL A 53 -0.390 6.424 0.084 1.00 0.00 C ATOM 810 C VAL A 53 -0.650 4.963 0.548 1.00 0.00 C ATOM 811 O VAL A 53 -0.249 4.552 1.652 1.00 0.00 O ATOM 812 CB VAL A 53 0.746 6.504 -0.944 1.00 0.00 C ATOM 813 CG1 VAL A 53 0.802 5.294 -1.910 1.00 0.00 C ATOM 814 CG2 VAL A 53 0.864 7.842 -1.681 1.00 0.00 C ATOM 0 H VAL A 53 0.154 6.710 2.057 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.281 6.796 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 53 1.641 6.447 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.630 5.423 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.948 4.378 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.133 5.229 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.695 7.798 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.060 8.041 -2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.041 8.640 -0.960 1.00 0.00 H new ATOM 824 N VAL A 54 -1.452 4.236 -0.244 1.00 0.00 N ATOM 825 CA VAL A 54 -2.234 3.033 0.167 1.00 0.00 C ATOM 826 C VAL A 54 -2.171 2.008 -0.995 1.00 0.00 C ATOM 827 O VAL A 54 -2.165 2.351 -2.153 1.00 0.00 O ATOM 828 CB VAL A 54 -3.692 3.472 0.441 1.00 0.00 C ATOM 829 CG1 VAL A 54 -4.017 4.968 0.217 1.00 0.00 C ATOM 830 CG2 VAL A 54 -4.735 2.459 0.160 1.00 0.00 C ATOM 0 H VAL A 54 -1.587 4.468 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.831 2.576 1.071 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.752 3.474 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.068 5.150 0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.395 5.578 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.817 5.232 -0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.717 2.875 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.695 2.178 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.562 1.578 0.778 1.00 0.00 H new ATOM 840 N LEU A 55 -2.043 0.703 -0.600 1.00 0.00 N ATOM 841 CA LEU A 55 -2.394 -0.477 -1.388 1.00 0.00 C ATOM 842 C LEU A 55 -3.473 -1.297 -0.694 1.00 0.00 C ATOM 843 O LEU A 55 -3.709 -1.155 0.499 1.00 0.00 O ATOM 844 CB LEU A 55 -1.089 -1.292 -1.551 1.00 0.00 C ATOM 845 CG LEU A 55 0.103 -0.627 -2.290 1.00 0.00 C ATOM 846 CD1 LEU A 55 1.414 -0.612 -1.454 1.00 0.00 C ATOM 847 CD2 LEU A 55 0.280 -1.073 -3.718 1.00 0.00 C ATOM 0 H LEU A 55 -1.675 0.457 0.319 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.803 -0.196 -2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.747 -1.576 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.336 -2.214 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.180 0.421 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.207 -0.133 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.250 -0.057 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.705 -1.635 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.135 -0.558 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.452 -2.149 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.618 -0.835 -4.288 1.00 0.00 H new ATOM 859 N LEU A 56 -4.304 -2.033 -1.489 1.00 0.00 N ATOM 860 CA LEU A 56 -5.201 -3.137 -1.056 1.00 0.00 C ATOM 861 C LEU A 56 -4.963 -4.284 -2.052 1.00 0.00 C ATOM 862 O LEU A 56 -5.091 -4.109 -3.254 1.00 0.00 O ATOM 863 CB LEU A 56 -6.652 -2.557 -1.362 1.00 0.00 C ATOM 864 CG LEU A 56 -7.788 -3.161 -0.529 1.00 0.00 C ATOM 865 CD1 LEU A 56 -8.134 -2.419 0.769 1.00 0.00 C ATOM 866 CD2 LEU A 56 -9.047 -3.396 -1.437 1.00 0.00 C ATOM 0 H LEU A 56 -4.366 -1.862 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.061 -3.465 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.637 -1.480 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.874 -2.716 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.412 -4.118 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.950 -2.934 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.260 -2.396 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.438 -1.399 0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.851 -3.825 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.375 -2.445 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.790 -4.081 -2.245 1.00 0.00 H new ATOM 878 N GLY A 57 -4.451 -5.420 -1.531 1.00 0.00 N ATOM 879 CA GLY A 57 -4.234 -6.675 -2.205 1.00 0.00 C ATOM 880 C GLY A 57 -4.894 -6.897 -3.541 1.00 0.00 C ATOM 881 O GLY A 57 -5.910 -6.272 -3.897 1.00 0.00 O ATOM 0 H GLY A 57 -4.164 -5.465 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.159 -6.796 -2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.562 -7.471 -1.537 1.00 0.00 H new ATOM 885 N PRO A 58 -4.298 -7.793 -4.389 1.00 0.00 N ATOM 886 CA PRO A 58 -4.792 -8.279 -5.659 1.00 0.00 C ATOM 887 C PRO A 58 -5.913 -9.346 -5.741 1.00 0.00 C ATOM 888 O PRO A 58 -6.707 -9.375 -6.679 1.00 0.00 O ATOM 889 CB PRO A 58 -3.615 -8.543 -6.551 1.00 0.00 C ATOM 890 CG PRO A 58 -2.406 -8.547 -5.684 1.00 0.00 C ATOM 891 CD PRO A 58 -2.876 -8.241 -4.238 1.00 0.00 C ATOM 0 HA PRO A 58 -5.416 -7.460 -6.016 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.726 -9.499 -7.063 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.535 -7.776 -7.321 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.904 -9.513 -5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.688 -7.799 -6.021 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.804 -9.124 -3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.263 -7.466 -3.778 1.00 0.00 H new ATOM 899 N GLN A 59 -6.039 -10.087 -4.592 1.00 0.00 N ATOM 900 CA GLN A 59 -7.166 -10.992 -4.322 1.00 0.00 C ATOM 901 C GLN A 59 -8.286 -10.217 -3.572 1.00 0.00 C ATOM 902 O GLN A 59 -9.462 -10.521 -3.695 1.00 0.00 O ATOM 903 CB GLN A 59 -6.677 -12.156 -3.484 1.00 0.00 C ATOM 904 CG GLN A 59 -5.360 -12.819 -3.876 1.00 0.00 C ATOM 905 CD GLN A 59 -4.726 -13.663 -2.745 1.00 0.00 C ATOM 906 OE1 GLN A 59 -3.444 -13.394 -2.424 1.00 0.00 O flip ATOM 907 NE2 GLN A 59 -5.343 -14.551 -2.140 1.00 0.00 N flip ATOM 0 H GLN A 59 -5.352 -10.060 -3.839 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.572 -11.373 -5.259 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.583 -11.810 -2.455 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.452 -12.922 -3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.529 -13.458 -4.743 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.653 -12.048 -4.182 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.313 -14.754 -2.383 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.881 -15.079 -1.399 1.00 0.00 H new ATOM 916 N ILE A 60 -7.828 -9.244 -2.754 1.00 0.00 N ATOM 917 CA ILE A 60 -8.662 -8.148 -2.170 1.00 0.00 C ATOM 918 C ILE A 60 -8.689 -6.900 -3.049 1.00 0.00 C ATOM 919 O ILE A 60 -8.709 -5.754 -2.545 1.00 0.00 O ATOM 920 CB ILE A 60 -8.373 -7.880 -0.692 1.00 0.00 C ATOM 921 CG1 ILE A 60 -9.634 -7.964 0.199 1.00 0.00 C ATOM 922 CG2 ILE A 60 -7.550 -6.632 -0.375 1.00 0.00 C ATOM 923 CD1 ILE A 60 -9.407 -8.377 1.661 1.00 0.00 C ATOM 0 H ILE A 60 -6.850 -9.189 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 60 -9.689 -8.514 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.715 -8.710 -0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.125 -6.991 0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -10.326 -8.674 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.412 -6.551 0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.577 -6.705 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.073 -5.749 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.363 -8.401 2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.951 -9.367 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.746 -7.657 2.144 1.00 0.00 H new ATOM 935 N ALA A 61 -8.707 -7.095 -4.351 1.00 0.00 N ATOM 936 CA ALA A 61 -8.595 -6.073 -5.421 1.00 0.00 C ATOM 937 C ALA A 61 -9.954 -5.410 -5.730 1.00 0.00 C ATOM 938 O ALA A 61 -10.059 -4.484 -6.514 1.00 0.00 O ATOM 939 CB ALA A 61 -8.106 -6.786 -6.703 1.00 0.00 C ATOM 0 H ALA A 61 -8.807 -8.033 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.906 -5.297 -5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.013 -6.060 -7.510 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.136 -7.246 -6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.824 -7.555 -6.988 1.00 0.00 H new ATOM 945 N TYR A 62 -11.036 -5.994 -5.176 1.00 0.00 N ATOM 946 CA TYR A 62 -12.450 -5.836 -5.530 1.00 0.00 C ATOM 947 C TYR A 62 -13.036 -4.566 -4.940 1.00 0.00 C ATOM 948 O TYR A 62 -13.982 -3.915 -5.449 1.00 0.00 O ATOM 949 CB TYR A 62 -13.262 -7.103 -5.121 1.00 0.00 C ATOM 950 CG TYR A 62 -13.461 -7.251 -3.611 1.00 0.00 C ATOM 951 CD1 TYR A 62 -12.415 -7.700 -2.785 1.00 0.00 C ATOM 952 CD2 TYR A 62 -14.712 -6.956 -3.080 1.00 0.00 C ATOM 953 CE1 TYR A 62 -12.595 -7.713 -1.401 1.00 0.00 C ATOM 954 CE2 TYR A 62 -15.000 -7.295 -1.753 1.00 0.00 C ATOM 955 CZ TYR A 62 -13.912 -7.666 -0.918 1.00 0.00 C ATOM 956 OH TYR A 62 -14.156 -7.940 0.401 1.00 0.00 O ATOM 0 H TYR A 62 -10.925 -6.646 -4.400 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.520 -5.735 -6.613 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.238 -7.069 -5.605 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.750 -7.988 -5.499 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.482 -8.031 -3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.458 -6.467 -3.689 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -11.752 -7.758 -0.727 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.012 -7.275 -1.377 1.00 0.00 H new ATOM 0 HH TYR A 62 -13.385 -7.666 0.940 1.00 0.00 H new ATOM 966 N MET A 63 -12.493 -4.210 -3.733 1.00 0.00 N ATOM 967 CA MET A 63 -13.091 -3.235 -2.800 1.00 0.00 C ATOM 968 C MET A 63 -12.634 -1.792 -3.143 1.00 0.00 C ATOM 969 O MET A 63 -12.923 -0.866 -2.415 1.00 0.00 O ATOM 970 CB MET A 63 -12.568 -3.600 -1.365 1.00 0.00 C ATOM 971 CG MET A 63 -13.401 -4.866 -0.885 1.00 0.00 C ATOM 972 SD MET A 63 -15.112 -4.461 -0.365 1.00 0.00 S ATOM 973 CE MET A 63 -14.829 -2.815 0.312 1.00 0.00 C ATOM 0 H MET A 63 -11.617 -4.605 -3.390 1.00 0.00 H new ATOM 0 HA MET A 63 -14.178 -3.274 -2.864 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.501 -3.824 -1.387 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.704 -2.764 -0.679 1.00 0.00 H new ATOM 0 HG2 MET A 63 -13.439 -5.595 -1.695 1.00 0.00 H new ATOM 0 HG3 MET A 63 -12.880 -5.340 -0.054 1.00 0.00 H new ATOM 0 HE1 MET A 63 -15.673 -2.530 0.941 1.00 0.00 H new ATOM 0 HE2 MET A 63 -13.917 -2.819 0.909 1.00 0.00 H new ATOM 0 HE3 MET A 63 -14.726 -2.099 -0.503 1.00 0.00 H new ATOM 983 N LEU A 64 -11.881 -1.710 -4.265 1.00 0.00 N ATOM 984 CA LEU A 64 -11.126 -0.521 -4.699 1.00 0.00 C ATOM 985 C LEU A 64 -12.042 0.683 -4.845 1.00 0.00 C ATOM 986 O LEU A 64 -11.689 1.810 -4.505 1.00 0.00 O ATOM 987 CB LEU A 64 -10.520 -0.916 -6.058 1.00 0.00 C ATOM 988 CG LEU A 64 -9.038 -0.550 -6.343 1.00 0.00 C ATOM 989 CD1 LEU A 64 -8.523 -0.899 -7.735 1.00 0.00 C ATOM 990 CD2 LEU A 64 -8.765 0.913 -5.953 1.00 0.00 C ATOM 0 H LEU A 64 -11.782 -2.495 -4.909 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.363 -0.234 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.621 -1.996 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.130 -0.460 -6.838 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.447 -1.205 -5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.479 -0.599 -7.822 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.607 -1.974 -7.895 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.115 -0.374 -8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.722 1.156 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.412 1.571 -6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.967 1.050 -4.891 1.00 0.00 H new ATOM 1002 N PRO A 65 -13.251 0.446 -5.458 1.00 0.00 N ATOM 1003 CA PRO A 65 -14.223 1.515 -5.775 1.00 0.00 C ATOM 1004 C PRO A 65 -15.028 2.136 -4.587 1.00 0.00 C ATOM 1005 O PRO A 65 -15.195 3.346 -4.492 1.00 0.00 O ATOM 1006 CB PRO A 65 -15.153 0.928 -6.819 1.00 0.00 C ATOM 1007 CG PRO A 65 -15.124 -0.581 -6.510 1.00 0.00 C ATOM 1008 CD PRO A 65 -13.650 -0.803 -6.093 1.00 0.00 C ATOM 0 HA PRO A 65 -13.653 2.377 -6.121 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.160 1.336 -6.736 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.806 1.138 -7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.817 -0.846 -5.712 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.395 -1.180 -7.380 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.556 -1.644 -5.406 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.024 -1.025 -6.957 1.00 0.00 H new ATOM 1016 N GLU A 66 -15.258 1.238 -3.638 1.00 0.00 N ATOM 1017 CA GLU A 66 -15.667 1.557 -2.227 1.00 0.00 C ATOM 1018 C GLU A 66 -14.524 2.237 -1.496 1.00 0.00 C ATOM 1019 O GLU A 66 -14.740 3.237 -0.756 1.00 0.00 O ATOM 1020 CB GLU A 66 -16.148 0.257 -1.562 1.00 0.00 C ATOM 1021 CG GLU A 66 -15.732 0.137 -0.089 1.00 0.00 C ATOM 1022 CD GLU A 66 -16.278 1.305 0.793 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -17.476 1.627 0.521 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -15.555 1.793 1.669 1.00 0.00 O ATOM 0 H GLU A 66 -15.170 0.236 -3.806 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.495 2.266 -2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.234 0.203 -1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.751 -0.594 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.092 -0.812 0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.644 0.117 -0.024 1.00 0.00 H new ATOM 1031 N ILE A 67 -13.288 1.707 -1.614 1.00 0.00 N ATOM 1032 CA ILE A 67 -12.032 2.363 -1.178 1.00 0.00 C ATOM 1033 C ILE A 67 -12.074 3.853 -1.578 1.00 0.00 C ATOM 1034 O ILE A 67 -11.998 4.760 -0.757 1.00 0.00 O ATOM 1035 CB ILE A 67 -10.789 1.604 -1.569 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -10.623 0.207 -1.012 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -9.483 2.471 -1.288 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -10.905 -0.059 0.453 1.00 0.00 C ATOM 0 H ILE A 67 -13.130 0.787 -2.026 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.965 2.337 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.929 1.439 -2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.268 -0.453 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.595 -0.100 -1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.599 1.902 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.527 3.393 -1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.427 2.711 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.733 -1.113 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.243 0.551 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.942 0.193 0.676 1.00 0.00 H new ATOM 1050 N GLN A 68 -12.203 4.072 -2.912 1.00 0.00 N ATOM 1051 CA GLN A 68 -12.159 5.368 -3.573 1.00 0.00 C ATOM 1052 C GLN A 68 -13.447 6.194 -3.317 1.00 0.00 C ATOM 1053 O GLN A 68 -13.509 7.373 -3.638 1.00 0.00 O ATOM 1054 CB GLN A 68 -11.976 5.158 -5.063 1.00 0.00 C ATOM 1055 CG GLN A 68 -10.568 4.765 -5.534 1.00 0.00 C ATOM 1056 CD GLN A 68 -9.509 4.842 -4.391 1.00 0.00 C ATOM 1057 OE1 GLN A 68 -9.054 3.863 -3.839 1.00 0.00 O ATOM 1058 NE2 GLN A 68 -9.078 6.085 -4.067 1.00 0.00 N ATOM 0 H GLN A 68 -12.346 3.306 -3.570 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.321 5.930 -3.161 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.672 4.384 -5.386 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.262 6.077 -5.574 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.593 3.751 -5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.265 5.422 -6.349 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.469 6.900 -4.539 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.362 6.206 -3.351 1.00 0.00 H new ATOM 1067 N ARG A 69 -14.473 5.482 -2.750 1.00 0.00 N ATOM 1068 CA ARG A 69 -15.675 6.132 -2.197 1.00 0.00 C ATOM 1069 C ARG A 69 -15.382 6.728 -0.798 1.00 0.00 C ATOM 1070 O ARG A 69 -15.682 7.905 -0.527 1.00 0.00 O ATOM 1071 CB ARG A 69 -16.804 5.092 -2.068 1.00 0.00 C ATOM 1072 CG ARG A 69 -17.326 4.610 -3.441 1.00 0.00 C ATOM 1073 CD ARG A 69 -18.649 5.328 -3.820 1.00 0.00 C ATOM 1074 NE ARG A 69 -19.701 4.809 -2.917 1.00 0.00 N ATOM 1075 CZ ARG A 69 -20.843 5.417 -2.571 1.00 0.00 C ATOM 1076 NH1 ARG A 69 -21.173 6.641 -3.046 1.00 0.00 N ATOM 1077 NH2 ARG A 69 -21.718 4.844 -1.715 1.00 0.00 N ATOM 0 H ARG A 69 -14.477 4.465 -2.672 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.974 6.936 -2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -16.441 4.235 -1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -17.628 5.524 -1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -16.574 4.800 -4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -17.488 3.533 -3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -18.546 6.408 -3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -18.907 5.136 -4.862 1.00 0.00 H new ATOM 0 HE ARG A 69 -19.538 3.886 -2.514 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -20.544 7.126 -3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -22.050 7.078 -2.764 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -21.515 3.927 -1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -22.581 5.328 -1.468 1.00 0.00 H new ATOM 1091 N LEU A 70 -14.920 5.870 0.128 1.00 0.00 N ATOM 1092 CA LEU A 70 -14.899 6.004 1.582 1.00 0.00 C ATOM 1093 C LEU A 70 -13.549 6.614 2.062 1.00 0.00 C ATOM 1094 O LEU A 70 -13.368 6.793 3.245 1.00 0.00 O ATOM 1095 CB LEU A 70 -15.150 4.603 2.156 1.00 0.00 C ATOM 1096 CG LEU A 70 -14.525 4.180 3.497 1.00 0.00 C ATOM 1097 CD1 LEU A 70 -15.103 2.873 4.080 1.00 0.00 C ATOM 1098 CD2 LEU A 70 -12.993 4.215 3.464 1.00 0.00 C ATOM 0 H LEU A 70 -14.513 4.980 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.670 6.690 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.229 4.485 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.817 3.885 1.406 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.829 4.943 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.609 2.646 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.173 2.992 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.936 2.056 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.601 3.908 4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.630 3.534 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.657 5.228 3.241 1.00 0.00 H new ATOM 1110 N LEU A 71 -12.596 6.859 1.107 1.00 0.00 N ATOM 1111 CA LEU A 71 -11.518 7.837 1.222 1.00 0.00 C ATOM 1112 C LEU A 71 -10.988 8.160 -0.182 1.00 0.00 C ATOM 1113 O LEU A 71 -10.252 7.397 -0.800 1.00 0.00 O ATOM 1114 CB LEU A 71 -10.405 7.149 2.077 1.00 0.00 C ATOM 1115 CG LEU A 71 -9.201 6.504 1.372 1.00 0.00 C ATOM 1116 CD1 LEU A 71 -8.180 7.514 0.814 1.00 0.00 C ATOM 1117 CD2 LEU A 71 -8.523 5.434 2.280 1.00 0.00 C ATOM 0 H LEU A 71 -12.577 6.355 0.220 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.848 8.768 1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.017 7.896 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.885 6.376 2.677 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.607 6.002 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.363 6.977 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.669 8.160 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.785 8.121 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.675 4.995 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.176 5.905 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.244 4.653 2.522 1.00 0.00 H new ATOM 1129 N PRO A 72 -11.463 9.297 -0.749 1.00 0.00 N ATOM 1130 CA PRO A 72 -11.038 9.871 -2.043 1.00 0.00 C ATOM 1131 C PRO A 72 -9.997 11.025 -2.081 1.00 0.00 C ATOM 1132 O PRO A 72 -9.264 11.222 -3.031 1.00 0.00 O ATOM 1133 CB PRO A 72 -12.381 10.325 -2.687 1.00 0.00 C ATOM 1134 CG PRO A 72 -13.071 10.937 -1.453 1.00 0.00 C ATOM 1135 CD PRO A 72 -12.643 10.055 -0.270 1.00 0.00 C ATOM 0 HA PRO A 72 -10.466 9.103 -2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.236 11.051 -3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.944 9.493 -3.110 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.764 11.972 -1.303 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.155 10.940 -1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.393 10.661 0.601 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.447 9.382 0.029 1.00 0.00 H new ATOM 1143 N ASN A 73 -9.895 11.648 -0.881 1.00 0.00 N ATOM 1144 CA ASN A 73 -9.117 12.872 -0.663 1.00 0.00 C ATOM 1145 C ASN A 73 -7.608 12.606 -0.696 1.00 0.00 C ATOM 1146 O ASN A 73 -6.802 13.541 -0.542 1.00 0.00 O ATOM 1147 CB ASN A 73 -9.545 13.551 0.662 1.00 0.00 C ATOM 1148 CG ASN A 73 -11.066 13.659 0.810 1.00 0.00 C ATOM 1149 OD1 ASN A 73 -11.746 12.938 1.520 1.00 0.00 O ATOM 1150 ND2 ASN A 73 -11.679 14.616 0.075 1.00 0.00 N ATOM 0 H ASN A 73 -10.357 11.306 -0.038 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.330 13.556 -1.485 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.142 12.985 1.502 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.108 14.548 0.711 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.692 14.724 0.121 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.128 15.229 -0.525 1.00 0.00 H new ATOM 1157 N LYS A 74 -7.234 11.304 -0.802 1.00 0.00 N ATOM 1158 CA LYS A 74 -5.808 10.879 -0.837 1.00 0.00 C ATOM 1159 C LYS A 74 -5.586 9.586 -1.654 1.00 0.00 C ATOM 1160 O LYS A 74 -6.531 8.932 -2.075 1.00 0.00 O ATOM 1161 CB LYS A 74 -5.233 10.755 0.560 1.00 0.00 C ATOM 1162 CG LYS A 74 -6.262 10.862 1.667 1.00 0.00 C ATOM 1163 CD LYS A 74 -5.771 11.712 2.908 1.00 0.00 C ATOM 1164 CE LYS A 74 -6.651 11.264 4.097 1.00 0.00 C ATOM 1165 NZ LYS A 74 -7.795 12.180 4.285 1.00 0.00 N ATOM 0 H LYS A 74 -7.898 10.532 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.265 11.669 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.721 9.796 0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.481 11.532 0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.170 11.312 1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.525 9.860 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.716 11.532 3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.882 12.780 2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.016 10.252 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.051 11.234 5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.370 11.857 5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.443 13.140 4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.378 12.188 3.424 1.00 0.00 H new ATOM 1179 N PRO A 75 -4.291 9.303 -1.947 1.00 0.00 N ATOM 1180 CA PRO A 75 -3.807 8.274 -2.891 1.00 0.00 C ATOM 1181 C PRO A 75 -3.618 6.820 -2.422 1.00 0.00 C ATOM 1182 O PRO A 75 -2.818 6.464 -1.549 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.566 8.881 -3.530 1.00 0.00 C ATOM 1184 CG PRO A 75 -1.941 9.640 -2.345 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.136 10.121 -1.508 1.00 0.00 C ATOM 0 HA PRO A 75 -4.620 8.074 -3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.896 8.118 -3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.816 9.547 -4.356 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.286 8.992 -1.762 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.336 10.479 -2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.946 9.989 -0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.325 11.182 -1.669 1.00 0.00 H new ATOM 1193 N VAL A 76 -4.300 5.924 -3.176 1.00 0.00 N ATOM 1194 CA VAL A 76 -4.598 4.526 -2.826 1.00 0.00 C ATOM 1195 C VAL A 76 -4.376 3.684 -4.132 1.00 0.00 C ATOM 1196 O VAL A 76 -4.386 4.189 -5.239 1.00 0.00 O ATOM 1197 CB VAL A 76 -6.090 4.460 -2.338 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -6.556 2.995 -2.140 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -6.415 5.330 -1.168 1.00 0.00 C ATOM 0 H VAL A 76 -4.674 6.176 -4.091 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.963 4.137 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.674 4.894 -3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.592 2.985 -1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.477 2.457 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.927 2.511 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.467 5.213 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.797 5.042 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.218 6.371 -1.423 1.00 0.00 H new ATOM 1209 N GLU A 77 -4.143 2.375 -3.898 1.00 0.00 N ATOM 1210 CA GLU A 77 -3.978 1.351 -4.951 1.00 0.00 C ATOM 1211 C GLU A 77 -4.288 -0.068 -4.424 1.00 0.00 C ATOM 1212 O GLU A 77 -4.343 -0.260 -3.225 1.00 0.00 O ATOM 1213 CB GLU A 77 -2.523 1.368 -5.465 1.00 0.00 C ATOM 1214 CG GLU A 77 -2.437 0.999 -6.952 1.00 0.00 C ATOM 1215 CD GLU A 77 -2.481 2.265 -7.846 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -3.310 3.173 -7.522 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -1.742 2.296 -8.837 1.00 0.00 O ATOM 0 H GLU A 77 -4.063 1.994 -2.955 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.679 1.589 -5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.095 2.359 -5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.924 0.668 -4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.515 0.449 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.262 0.337 -7.214 1.00 0.00 H new ATOM 1224 N VAL A 78 -4.617 -0.976 -5.373 1.00 0.00 N ATOM 1225 CA VAL A 78 -4.364 -2.438 -5.167 1.00 0.00 C ATOM 1226 C VAL A 78 -2.894 -2.731 -5.467 1.00 0.00 C ATOM 1227 O VAL A 78 -2.153 -1.823 -6.010 1.00 0.00 O ATOM 1228 CB VAL A 78 -5.349 -3.191 -6.072 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -5.209 -2.824 -7.589 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -5.237 -4.747 -5.918 1.00 0.00 C ATOM 0 H VAL A 78 -5.047 -0.740 -6.268 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.532 -2.765 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.330 -2.863 -5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.935 -3.393 -8.170 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.392 -1.758 -7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.202 -3.066 -7.930 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.955 -5.231 -6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.229 -5.067 -6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.449 -5.027 -4.886 1.00 0.00 H new ATOM 1240 N ILE A 79 -2.352 -3.884 -5.095 1.00 0.00 N ATOM 1241 CA ILE A 79 -1.040 -4.446 -5.492 1.00 0.00 C ATOM 1242 C ILE A 79 -1.094 -5.072 -6.875 1.00 0.00 C ATOM 1243 O ILE A 79 -2.146 -5.300 -7.487 1.00 0.00 O ATOM 1244 CB ILE A 79 -0.452 -5.319 -4.350 1.00 0.00 C ATOM 1245 CG1 ILE A 79 -0.367 -4.529 -3.011 1.00 0.00 C ATOM 1246 CG2 ILE A 79 0.922 -5.946 -4.725 1.00 0.00 C ATOM 1247 CD1 ILE A 79 0.559 -5.081 -1.952 1.00 0.00 C ATOM 0 H ILE A 79 -2.846 -4.509 -4.458 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.310 -3.646 -5.617 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.146 -6.147 -4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.055 -3.509 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.370 -4.469 -2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.288 -6.546 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.805 -6.579 -5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.637 -5.152 -4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.527 -4.440 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.242 -6.088 -1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.577 -5.114 -2.340 1.00 0.00 H new ATOM 1259 N ASP A 80 0.117 -5.292 -7.453 1.00 0.00 N ATOM 1260 CA ASP A 80 0.465 -6.218 -8.514 1.00 0.00 C ATOM 1261 C ASP A 80 0.714 -7.665 -7.947 1.00 0.00 C ATOM 1262 O ASP A 80 0.695 -7.890 -6.763 1.00 0.00 O ATOM 1263 CB ASP A 80 1.726 -5.787 -9.258 1.00 0.00 C ATOM 1264 CG ASP A 80 1.492 -5.101 -10.624 1.00 0.00 C ATOM 1265 OD1 ASP A 80 0.260 -5.179 -11.032 1.00 0.00 O ATOM 1266 OD2 ASP A 80 2.409 -4.501 -11.157 1.00 0.00 O ATOM 0 H ASP A 80 0.935 -4.767 -7.145 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.381 -6.220 -9.201 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.288 -5.105 -8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.352 -6.665 -9.415 1.00 0.00 H new ATOM 1271 N SER A 81 0.691 -8.608 -8.926 1.00 0.00 N ATOM 1272 CA SER A 81 0.452 -10.076 -8.674 1.00 0.00 C ATOM 1273 C SER A 81 1.762 -10.843 -8.739 1.00 0.00 C ATOM 1274 O SER A 81 1.971 -11.868 -8.057 1.00 0.00 O ATOM 1275 CB SER A 81 -0.508 -10.539 -9.787 1.00 0.00 C ATOM 1276 OG SER A 81 -0.739 -11.948 -9.728 1.00 0.00 O ATOM 0 H SER A 81 0.836 -8.385 -9.911 1.00 0.00 H new ATOM 0 HA SER A 81 0.030 -10.254 -7.685 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.456 -10.010 -9.694 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.091 -10.278 -10.760 1.00 0.00 H new ATOM 0 HG SER A 81 -1.353 -12.209 -10.446 1.00 0.00 H new ATOM 1282 N LEU A 82 2.730 -10.304 -9.537 1.00 0.00 N ATOM 1283 CA LEU A 82 4.164 -10.589 -9.496 1.00 0.00 C ATOM 1284 C LEU A 82 4.799 -9.930 -8.262 1.00 0.00 C ATOM 1285 O LEU A 82 5.259 -10.578 -7.344 1.00 0.00 O ATOM 1286 CB LEU A 82 4.758 -10.022 -10.806 1.00 0.00 C ATOM 1287 CG LEU A 82 5.235 -10.999 -11.871 1.00 0.00 C ATOM 1288 CD1 LEU A 82 4.437 -11.026 -13.188 1.00 0.00 C ATOM 1289 CD2 LEU A 82 6.754 -11.031 -12.040 1.00 0.00 C ATOM 0 H LEU A 82 2.499 -9.623 -10.260 1.00 0.00 H new ATOM 0 HA LEU A 82 4.361 -11.658 -9.418 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.004 -9.379 -11.260 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.601 -9.385 -10.539 1.00 0.00 H new ATOM 0 HG LEU A 82 4.975 -11.968 -11.444 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.875 -11.761 -13.864 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.401 -11.295 -12.980 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.469 -10.041 -13.653 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.019 -11.750 -12.816 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.109 -10.041 -12.326 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.219 -11.325 -11.099 1.00 0.00 H new ATOM 1301 N LEU A 83 4.865 -8.542 -8.305 1.00 0.00 N ATOM 1302 CA LEU A 83 5.593 -7.735 -7.292 1.00 0.00 C ATOM 1303 C LEU A 83 5.115 -8.218 -5.898 1.00 0.00 C ATOM 1304 O LEU A 83 5.927 -8.384 -4.982 1.00 0.00 O ATOM 1305 CB LEU A 83 5.058 -6.291 -7.511 1.00 0.00 C ATOM 1306 CG LEU A 83 5.338 -5.594 -8.844 1.00 0.00 C ATOM 1307 CD1 LEU A 83 5.321 -4.063 -8.785 1.00 0.00 C ATOM 1308 CD2 LEU A 83 6.592 -6.162 -9.537 1.00 0.00 C ATOM 0 H LEU A 83 4.420 -7.983 -9.033 1.00 0.00 H new ATOM 0 HA LEU A 83 6.678 -7.805 -7.364 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.977 -6.315 -7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.467 -5.664 -6.719 1.00 0.00 H new ATOM 0 HG LEU A 83 4.485 -5.835 -9.478 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.529 -3.658 -9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.340 -3.723 -8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.081 -3.717 -8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.755 -5.640 -10.480 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.459 -6.024 -8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.450 -7.225 -9.731 1.00 0.00 H new ATOM 1320 N TYR A 84 3.763 -8.339 -5.752 1.00 0.00 N ATOM 1321 CA TYR A 84 3.173 -9.014 -4.534 1.00 0.00 C ATOM 1322 C TYR A 84 3.958 -10.306 -4.290 1.00 0.00 C ATOM 1323 O TYR A 84 4.957 -10.334 -3.534 1.00 0.00 O ATOM 1324 CB TYR A 84 1.682 -9.258 -4.755 1.00 0.00 C ATOM 1325 CG TYR A 84 0.850 -9.379 -3.455 1.00 0.00 C ATOM 1326 CD1 TYR A 84 1.133 -8.516 -2.389 1.00 0.00 C ATOM 1327 CD2 TYR A 84 -0.126 -10.351 -3.363 1.00 0.00 C ATOM 1328 CE1 TYR A 84 0.441 -8.709 -1.169 1.00 0.00 C ATOM 1329 CE2 TYR A 84 -0.662 -10.673 -2.126 1.00 0.00 C ATOM 1330 CZ TYR A 84 -0.396 -9.800 -1.026 1.00 0.00 C ATOM 1331 OH TYR A 84 -0.981 -10.054 0.154 1.00 0.00 O ATOM 0 H TYR A 84 3.078 -7.997 -6.426 1.00 0.00 H new ATOM 0 HA TYR A 84 3.256 -8.388 -3.646 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.278 -8.442 -5.355 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.559 -10.172 -5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.860 -7.724 -2.495 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.471 -10.859 -4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.566 -8.009 -0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.265 -11.560 -1.997 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.646 -10.904 0.509 1.00 0.00 H new ATOM 1341 N GLY A 85 3.521 -11.405 -4.942 1.00 0.00 N ATOM 1342 CA GLY A 85 3.780 -12.771 -4.542 1.00 0.00 C ATOM 1343 C GLY A 85 5.247 -13.262 -4.864 1.00 0.00 C ATOM 1344 O GLY A 85 5.521 -14.409 -4.993 1.00 0.00 O ATOM 0 H GLY A 85 2.959 -11.344 -5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.602 -12.866 -3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.069 -13.428 -5.043 1.00 0.00 H new ATOM 1348 N LYS A 86 6.139 -12.229 -4.983 1.00 0.00 N ATOM 1349 CA LYS A 86 7.586 -12.417 -4.765 1.00 0.00 C ATOM 1350 C LYS A 86 8.230 -11.382 -3.882 1.00 0.00 C ATOM 1351 O LYS A 86 9.461 -11.229 -3.786 1.00 0.00 O ATOM 1352 CB LYS A 86 8.297 -12.599 -6.124 1.00 0.00 C ATOM 1353 CG LYS A 86 7.667 -11.756 -7.208 1.00 0.00 C ATOM 1354 CD LYS A 86 8.614 -11.321 -8.361 1.00 0.00 C ATOM 1355 CE LYS A 86 9.993 -11.041 -7.741 1.00 0.00 C ATOM 1356 NZ LYS A 86 10.728 -10.039 -8.534 1.00 0.00 N ATOM 0 H LYS A 86 5.872 -11.275 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 86 7.708 -13.332 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.349 -12.332 -6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.262 -13.649 -6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.834 -12.313 -7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.249 -10.860 -6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.684 -12.104 -9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.229 -10.431 -8.859 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.872 -10.684 -6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.569 -11.965 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.600 -10.464 -8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.133 -9.717 -9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.971 -9.228 -7.930 1.00 0.00 H new ATOM 1370 N VAL A 87 7.392 -10.548 -3.211 1.00 0.00 N ATOM 1371 CA VAL A 87 7.666 -9.738 -2.053 1.00 0.00 C ATOM 1372 C VAL A 87 8.850 -8.755 -2.329 1.00 0.00 C ATOM 1373 O VAL A 87 9.947 -8.913 -1.795 1.00 0.00 O ATOM 1374 CB VAL A 87 7.780 -10.499 -0.759 1.00 0.00 C ATOM 1375 CG1 VAL A 87 7.705 -9.602 0.524 1.00 0.00 C ATOM 1376 CG2 VAL A 87 6.865 -11.728 -0.604 1.00 0.00 C ATOM 0 H VAL A 87 6.425 -10.435 -3.517 1.00 0.00 H new ATOM 0 HA VAL A 87 6.777 -9.130 -1.885 1.00 0.00 H new ATOM 0 HB VAL A 87 8.793 -10.894 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.795 -10.228 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.518 -8.876 0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.750 -9.077 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.039 -12.191 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.823 -11.417 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.085 -12.447 -1.393 1.00 0.00 H new ATOM 1386 N ASP A 88 8.589 -7.775 -3.200 1.00 0.00 N ATOM 1387 CA ASP A 88 9.439 -6.597 -3.571 1.00 0.00 C ATOM 1388 C ASP A 88 8.783 -5.306 -3.157 1.00 0.00 C ATOM 1389 O ASP A 88 7.593 -5.034 -3.419 1.00 0.00 O ATOM 1390 CB ASP A 88 9.699 -6.672 -5.098 1.00 0.00 C ATOM 1391 CG ASP A 88 10.788 -7.730 -5.462 1.00 0.00 C ATOM 1392 OD1 ASP A 88 10.924 -8.654 -4.615 1.00 0.00 O ATOM 1393 OD2 ASP A 88 11.383 -7.609 -6.546 1.00 0.00 O ATOM 0 H ASP A 88 7.709 -7.768 -3.716 1.00 0.00 H new ATOM 0 HA ASP A 88 10.392 -6.623 -3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.770 -6.919 -5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 88 10.012 -5.693 -5.460 1.00 0.00 H new ATOM 1398 N GLY A 89 9.477 -4.533 -2.268 1.00 0.00 N ATOM 1399 CA GLY A 89 9.037 -3.263 -1.736 1.00 0.00 C ATOM 1400 C GLY A 89 9.397 -2.022 -2.502 1.00 0.00 C ATOM 1401 O GLY A 89 8.579 -1.033 -2.491 1.00 0.00 O ATOM 0 H GLY A 89 10.389 -4.813 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.951 -3.296 -1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.440 -3.164 -0.728 1.00 0.00 H new ATOM 1405 N LEU A 90 10.568 -1.979 -3.154 1.00 0.00 N ATOM 1406 CA LEU A 90 11.084 -0.823 -3.957 1.00 0.00 C ATOM 1407 C LEU A 90 10.250 -0.736 -5.265 1.00 0.00 C ATOM 1408 O LEU A 90 9.972 0.331 -5.739 1.00 0.00 O ATOM 1409 CB LEU A 90 12.544 -1.164 -4.251 1.00 0.00 C ATOM 1410 CG LEU A 90 13.315 -0.458 -5.393 1.00 0.00 C ATOM 1411 CD1 LEU A 90 13.081 1.052 -5.466 1.00 0.00 C ATOM 1412 CD2 LEU A 90 14.827 -0.835 -5.375 1.00 0.00 C ATOM 0 H LEU A 90 11.216 -2.767 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 90 11.008 0.137 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 90 13.104 -0.989 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.587 -2.235 -4.451 1.00 0.00 H new ATOM 0 HG LEU A 90 12.892 -0.841 -6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 90 13.657 1.470 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.021 1.249 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 90 13.399 1.515 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.339 -0.323 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.266 -0.534 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.935 -1.912 -5.499 1.00 0.00 H new ATOM 1424 N GLY A 91 9.930 -1.927 -5.834 1.00 0.00 N ATOM 1425 CA GLY A 91 8.830 -2.088 -6.811 1.00 0.00 C ATOM 1426 C GLY A 91 7.485 -1.561 -6.358 1.00 0.00 C ATOM 1427 O GLY A 91 6.626 -1.212 -7.209 1.00 0.00 O ATOM 0 H GLY A 91 10.425 -2.795 -5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.109 -1.581 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.727 -3.147 -7.047 1.00 0.00 H new ATOM 1431 N VAL A 92 7.255 -1.480 -5.011 1.00 0.00 N ATOM 1432 CA VAL A 92 5.981 -1.195 -4.373 1.00 0.00 C ATOM 1433 C VAL A 92 5.890 0.273 -3.943 1.00 0.00 C ATOM 1434 O VAL A 92 4.932 1.002 -4.204 1.00 0.00 O ATOM 1435 CB VAL A 92 5.687 -2.205 -3.232 1.00 0.00 C ATOM 1436 CG1 VAL A 92 4.407 -1.795 -2.396 1.00 0.00 C ATOM 1437 CG2 VAL A 92 5.451 -3.640 -3.807 1.00 0.00 C ATOM 0 H VAL A 92 8.003 -1.622 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 92 5.185 -1.336 -5.104 1.00 0.00 H new ATOM 0 HB VAL A 92 6.561 -2.196 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.237 -2.528 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.563 -0.813 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.538 -1.761 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.247 -4.331 -2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.601 -3.623 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.341 -3.967 -4.345 1.00 0.00 H new ATOM 1447 N LEU A 93 6.949 0.721 -3.177 1.00 0.00 N ATOM 1448 CA LEU A 93 7.253 2.147 -2.953 1.00 0.00 C ATOM 1449 C LEU A 93 7.121 2.924 -4.291 1.00 0.00 C ATOM 1450 O LEU A 93 6.510 3.998 -4.311 1.00 0.00 O ATOM 1451 CB LEU A 93 8.702 2.224 -2.449 1.00 0.00 C ATOM 1452 CG LEU A 93 9.152 3.469 -1.654 1.00 0.00 C ATOM 1453 CD1 LEU A 93 8.021 4.179 -0.881 1.00 0.00 C ATOM 1454 CD2 LEU A 93 10.391 3.157 -0.787 1.00 0.00 C ATOM 0 H LEU A 93 7.600 0.090 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 93 6.565 2.586 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.879 1.351 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.357 2.132 -3.315 1.00 0.00 H new ATOM 0 HG LEU A 93 9.452 4.210 -2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.427 5.041 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.254 4.511 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.581 3.487 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.686 4.052 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.151 2.361 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.213 2.837 -1.428 1.00 0.00 H new ATOM 1466 N LYS A 94 7.720 2.388 -5.365 1.00 0.00 N ATOM 1467 CA LYS A 94 7.877 3.151 -6.654 1.00 0.00 C ATOM 1468 C LYS A 94 6.577 3.190 -7.452 1.00 0.00 C ATOM 1469 O LYS A 94 6.296 4.167 -8.168 1.00 0.00 O ATOM 1470 CB LYS A 94 9.039 2.607 -7.477 1.00 0.00 C ATOM 1471 CG LYS A 94 9.728 3.701 -8.318 1.00 0.00 C ATOM 1472 CD LYS A 94 11.257 3.663 -8.297 1.00 0.00 C ATOM 1473 CE LYS A 94 11.764 4.921 -7.520 1.00 0.00 C ATOM 1474 NZ LYS A 94 13.174 5.190 -7.896 1.00 0.00 N ATOM 0 H LYS A 94 8.105 1.444 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 94 8.116 4.183 -6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.771 2.151 -6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.675 1.820 -8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.391 3.611 -9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.398 4.676 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.608 2.751 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.652 3.659 -9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.141 5.784 -7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.687 4.755 -6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.517 6.026 -7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.762 4.368 -7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.233 5.365 -8.920 1.00 0.00 H new ATOM 1488 N ALA A 95 5.811 2.063 -7.390 1.00 0.00 N ATOM 1489 CA ALA A 95 4.409 1.992 -7.820 1.00 0.00 C ATOM 1490 C ALA A 95 3.538 3.013 -7.049 1.00 0.00 C ATOM 1491 O ALA A 95 2.756 3.768 -7.635 1.00 0.00 O ATOM 1492 CB ALA A 95 3.848 0.576 -7.611 1.00 0.00 C ATOM 0 H ALA A 95 6.167 1.176 -7.034 1.00 0.00 H new ATOM 0 HA ALA A 95 4.378 2.236 -8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.808 0.545 -7.936 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.432 -0.136 -8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.906 0.314 -6.555 1.00 0.00 H new ATOM 1498 N ALA A 96 3.672 3.005 -5.700 1.00 0.00 N ATOM 1499 CA ALA A 96 3.231 4.073 -4.789 1.00 0.00 C ATOM 1500 C ALA A 96 3.438 5.472 -5.415 1.00 0.00 C ATOM 1501 O ALA A 96 2.514 6.278 -5.482 1.00 0.00 O ATOM 1502 CB ALA A 96 3.995 3.983 -3.459 1.00 0.00 C ATOM 0 H ALA A 96 4.106 2.225 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 96 2.165 3.935 -4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.661 4.778 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.804 3.016 -2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.064 4.091 -3.645 1.00 0.00 H new ATOM 1508 N VAL A 97 4.708 5.740 -5.822 1.00 0.00 N ATOM 1509 CA VAL A 97 5.133 7.009 -6.465 1.00 0.00 C ATOM 1510 C VAL A 97 4.272 7.247 -7.724 1.00 0.00 C ATOM 1511 O VAL A 97 3.992 8.411 -8.072 1.00 0.00 O ATOM 1512 CB VAL A 97 6.651 6.964 -6.705 1.00 0.00 C ATOM 1513 CG1 VAL A 97 7.119 7.575 -8.044 1.00 0.00 C ATOM 1514 CG2 VAL A 97 7.468 7.584 -5.538 1.00 0.00 C ATOM 0 H VAL A 97 5.472 5.073 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 97 4.963 7.875 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 97 6.857 5.895 -6.757 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.203 7.496 -8.121 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.657 7.036 -8.871 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.828 8.625 -8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.532 7.523 -5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.184 8.628 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.262 7.036 -4.618 1.00 0.00 H new ATOM 1524 N ALA A 98 3.918 6.160 -8.434 1.00 0.00 N ATOM 1525 CA ALA A 98 3.117 6.167 -9.682 1.00 0.00 C ATOM 1526 C ALA A 98 1.694 6.699 -9.439 1.00 0.00 C ATOM 1527 O ALA A 98 1.066 7.281 -10.337 1.00 0.00 O ATOM 1528 CB ALA A 98 3.072 4.773 -10.280 1.00 0.00 C ATOM 0 H ALA A 98 4.189 5.219 -8.149 1.00 0.00 H new ATOM 0 HA ALA A 98 3.601 6.841 -10.389 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.481 4.789 -11.196 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.085 4.442 -10.507 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.617 4.086 -9.567 1.00 0.00 H new ATOM 1534 N ALA A 99 1.175 6.421 -8.230 1.00 0.00 N ATOM 1535 CA ALA A 99 -0.143 6.851 -7.753 1.00 0.00 C ATOM 1536 C ALA A 99 -0.093 8.329 -7.252 1.00 0.00 C ATOM 1537 O ALA A 99 -1.118 8.983 -7.164 1.00 0.00 O ATOM 1538 CB ALA A 99 -0.694 5.977 -6.632 1.00 0.00 C ATOM 0 H ALA A 99 1.683 5.871 -7.537 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.811 6.757 -8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.671 6.351 -6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.792 4.951 -6.986 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.013 6.004 -5.781 1.00 0.00 H new ATOM 1544 N ILE A 100 1.122 8.746 -6.901 1.00 0.00 N ATOM 1545 CA ILE A 100 1.489 10.106 -6.414 1.00 0.00 C ATOM 1546 C ILE A 100 1.527 11.069 -7.662 1.00 0.00 C ATOM 1547 O ILE A 100 0.887 12.068 -7.683 1.00 0.00 O ATOM 1548 CB ILE A 100 2.825 10.094 -5.649 1.00 0.00 C ATOM 1549 CG1 ILE A 100 2.690 9.610 -4.213 1.00 0.00 C ATOM 1550 CG2 ILE A 100 3.638 11.381 -5.807 1.00 0.00 C ATOM 1551 CD1 ILE A 100 2.183 10.514 -3.137 1.00 0.00 C ATOM 0 H ILE A 100 1.930 8.125 -6.945 1.00 0.00 H new ATOM 0 HA ILE A 100 0.747 10.462 -5.700 1.00 0.00 H new ATOM 0 HB ILE A 100 3.433 9.335 -6.141 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.036 8.738 -4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.675 9.263 -3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.565 11.298 -5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.870 11.538 -6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.059 12.225 -5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.164 9.976 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.839 11.380 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.175 10.846 -3.386 1.00 0.00 H new ATOM 1563 N LYS A 101 2.377 10.639 -8.623 1.00 0.00 N ATOM 1564 CA LYS A 101 2.449 11.306 -9.944 1.00 0.00 C ATOM 1565 C LYS A 101 1.068 11.498 -10.596 1.00 0.00 C ATOM 1566 O LYS A 101 0.757 12.570 -11.115 1.00 0.00 O ATOM 1567 CB LYS A 101 3.416 10.603 -10.883 1.00 0.00 C ATOM 1568 CG LYS A 101 3.199 11.000 -12.357 1.00 0.00 C ATOM 1569 CD LYS A 101 3.096 12.521 -12.628 1.00 0.00 C ATOM 1570 CE LYS A 101 4.329 13.209 -11.986 1.00 0.00 C ATOM 1571 NZ LYS A 101 5.526 12.955 -12.804 1.00 0.00 N ATOM 0 H LYS A 101 3.012 9.848 -8.513 1.00 0.00 H new ATOM 0 HA LYS A 101 2.842 12.305 -9.754 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.439 10.842 -10.592 1.00 0.00 H new ATOM 0 HB3 LYS A 101 3.299 9.524 -10.779 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.021 10.598 -12.949 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.286 10.522 -12.714 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.067 12.716 -13.700 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.174 12.921 -12.206 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.156 14.282 -11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.482 12.831 -10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.339 13.460 -12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.726 11.934 -12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.361 13.290 -13.774 1.00 0.00 H new