USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 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 NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 89 ZNZN :(H bumps) USER MOD Set 1.1: A 6 THR OG1 : rot 22:sc= 0.309 USER MOD Set 1.2: A 40 ASN : amide:sc= 0.489 K(o=0.8,f=1.4) USER MOD Set 2.1: A 5 GLN : amide:sc= -0.745 K(o=-0.75,f=-0.097) USER MOD Set 2.2: A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -131:sc= 1.16 (180deg=0.139) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.633 USER MOD Single : A 4 LYS NZ :NH3+ -99:sc= -0.368 (180deg=-0.953!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 44:sc= 0.0504 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0927 USER MOD Single : A 17 SER OG : rot 180:sc= -0.087 USER MOD Single : A 18 SER OG : rot -129:sc=-0.00487 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 151:sc= -0.175 (180deg=-0.784) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.293 X(o=0.29,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.53) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 54 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.01) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 78:sc= 0.476 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.510 -2.578 9.121 1.00 0.00 N ATOM 2 CA ALA A 1 -1.716 -2.537 7.862 1.00 0.00 C ATOM 3 C ALA A 1 -1.567 -1.105 7.351 1.00 0.00 C ATOM 4 O ALA A 1 -2.561 -0.403 7.154 1.00 0.00 O ATOM 5 CB ALA A 1 -2.364 -3.413 6.797 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.008 -3.151 9.829 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.636 -1.611 9.484 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.441 -3.000 8.931 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.721 -2.924 8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.772 -3.372 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.413 -4.442 7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.372 -3.052 6.593 1.00 0.00 H new ATOM 13 N ARG A 2 -0.321 -0.678 7.139 1.00 0.00 N ATOM 14 CA ARG A 2 -0.045 0.676 6.653 1.00 0.00 C ATOM 15 C ARG A 2 -0.593 0.872 5.239 1.00 0.00 C ATOM 16 O ARG A 2 -0.192 0.170 4.305 1.00 0.00 O ATOM 17 CB ARG A 2 1.460 0.963 6.676 1.00 0.00 C ATOM 18 CG ARG A 2 1.951 1.558 7.991 1.00 0.00 C ATOM 19 CD ARG A 2 3.471 1.625 8.041 1.00 0.00 C ATOM 20 NE ARG A 2 4.087 0.355 7.648 1.00 0.00 N ATOM 21 CZ ARG A 2 5.227 0.253 6.960 1.00 0.00 C ATOM 22 NH1 ARG A 2 5.930 1.338 6.645 1.00 0.00 N ATOM 23 NH2 ARG A 2 5.670 -0.944 6.597 1.00 0.00 N ATOM 0 H ARG A 2 0.511 -1.247 7.295 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.547 1.378 7.319 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.000 0.036 6.483 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.702 1.649 5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.538 2.559 8.115 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.585 0.956 8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.821 2.418 7.381 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.790 1.886 9.050 1.00 0.00 H new ATOM 0 HE ARG A 2 3.614 -0.508 7.918 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.600 2.260 6.929 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.799 1.248 6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.140 -1.780 6.844 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.540 -1.028 6.071 1.00 0.00 H new ATOM 37 N THR A 3 -1.514 1.825 5.093 1.00 0.00 N ATOM 38 CA THR A 3 -2.127 2.115 3.798 1.00 0.00 C ATOM 39 C THR A 3 -1.994 3.595 3.447 1.00 0.00 C ATOM 40 O THR A 3 -2.216 4.466 4.293 1.00 0.00 O ATOM 41 CB THR A 3 -3.609 1.719 3.803 1.00 0.00 C ATOM 42 OG1 THR A 3 -3.818 0.540 4.563 1.00 0.00 O ATOM 43 CG2 THR A 3 -4.167 1.477 2.418 1.00 0.00 C ATOM 0 H THR A 3 -1.852 2.410 5.857 1.00 0.00 H new ATOM 0 HA THR A 3 -1.601 1.529 3.044 1.00 0.00 H new ATOM 0 HB THR A 3 -4.130 2.568 4.246 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.770 0.309 4.553 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.219 1.201 2.493 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.072 2.386 1.824 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.613 0.670 1.938 1.00 0.00 H new ATOM 51 N LYS A 4 -1.642 3.874 2.192 1.00 0.00 N ATOM 52 CA LYS A 4 -1.492 5.248 1.724 1.00 0.00 C ATOM 53 C LYS A 4 -2.614 5.607 0.751 1.00 0.00 C ATOM 54 O LYS A 4 -2.863 4.883 -0.216 1.00 0.00 O ATOM 55 CB LYS A 4 -0.130 5.447 1.051 1.00 0.00 C ATOM 56 CG LYS A 4 0.465 6.829 1.275 1.00 0.00 C ATOM 57 CD LYS A 4 -0.146 7.862 0.338 1.00 0.00 C ATOM 58 CE LYS A 4 0.207 9.284 0.751 1.00 0.00 C ATOM 59 NZ LYS A 4 1.657 9.446 1.055 1.00 0.00 N ATOM 0 H LYS A 4 -1.456 3.165 1.483 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.551 5.909 2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.565 4.696 1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.235 5.275 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.301 7.133 2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.543 6.791 1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.204 7.682 -0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.230 7.746 0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.073 9.971 -0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.378 9.560 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.803 9.405 2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.195 8.682 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.987 10.364 0.695 1.00 0.00 H new ATOM 73 N GLN A 5 -3.285 6.725 1.018 1.00 0.00 N ATOM 74 CA GLN A 5 -4.384 7.180 0.171 1.00 0.00 C ATOM 75 C GLN A 5 -3.980 8.417 -0.629 1.00 0.00 C ATOM 76 O GLN A 5 -3.566 9.430 -0.061 1.00 0.00 O ATOM 77 CB GLN A 5 -5.619 7.490 1.024 1.00 0.00 C ATOM 78 CG GLN A 5 -6.873 7.771 0.208 1.00 0.00 C ATOM 79 CD GLN A 5 -7.881 6.641 0.275 1.00 0.00 C ATOM 80 OE1 GLN A 5 -8.219 6.158 1.356 1.00 0.00 O ATOM 81 NE2 GLN A 5 -8.370 6.210 -0.883 1.00 0.00 N ATOM 0 H GLN A 5 -3.087 7.332 1.814 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.625 6.380 -0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.810 6.648 1.689 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.406 8.353 1.655 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.338 8.689 0.569 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.594 7.942 -0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.063 6.638 -1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.052 5.452 -0.898 1.00 0.00 H new ATOM 90 N THR A 6 -4.105 8.322 -1.953 1.00 0.00 N ATOM 91 CA THR A 6 -3.758 9.427 -2.843 1.00 0.00 C ATOM 92 C THR A 6 -4.931 9.762 -3.762 1.00 0.00 C ATOM 93 O THR A 6 -5.524 8.869 -4.372 1.00 0.00 O ATOM 94 CB THR A 6 -2.515 9.081 -3.669 1.00 0.00 C ATOM 95 OG1 THR A 6 -2.791 8.044 -4.595 1.00 0.00 O ATOM 96 CG2 THR A 6 -1.337 8.634 -2.824 1.00 0.00 C ATOM 0 H THR A 6 -4.445 7.488 -2.432 1.00 0.00 H new ATOM 0 HA THR A 6 -3.535 10.302 -2.233 1.00 0.00 H new ATOM 0 HB THR A 6 -2.250 10.006 -4.181 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.756 8.002 -4.761 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.491 8.405 -3.472 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.060 9.432 -2.134 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.612 7.744 -2.258 1.00 0.00 H new ATOM 104 N ALA A 7 -5.266 11.049 -3.851 1.00 0.00 N ATOM 105 CA ALA A 7 -6.373 11.498 -4.692 1.00 0.00 C ATOM 106 C ALA A 7 -5.860 12.233 -5.932 1.00 0.00 C ATOM 107 O ALA A 7 -5.491 13.407 -5.860 1.00 0.00 O ATOM 108 CB ALA A 7 -7.315 12.386 -3.887 1.00 0.00 C ATOM 0 H ALA A 7 -4.787 11.798 -3.351 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.924 10.621 -5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.137 12.715 -4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.713 11.823 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.770 13.255 -3.519 1.00 0.00 H new ATOM 114 N ARG A 8 -5.840 11.522 -7.064 1.00 0.00 N ATOM 115 CA ARG A 8 -5.376 12.073 -8.342 1.00 0.00 C ATOM 116 C ARG A 8 -3.873 12.365 -8.305 1.00 0.00 C ATOM 117 O ARG A 8 -3.071 11.592 -8.835 1.00 0.00 O ATOM 118 CB ARG A 8 -6.158 13.344 -8.710 1.00 0.00 C ATOM 119 CG ARG A 8 -7.449 13.079 -9.475 1.00 0.00 C ATOM 120 CD ARG A 8 -8.012 14.362 -10.077 1.00 0.00 C ATOM 121 NE ARG A 8 -9.239 14.133 -10.844 1.00 0.00 N ATOM 122 CZ ARG A 8 -10.032 15.113 -11.295 1.00 0.00 C ATOM 123 NH1 ARG A 8 -9.733 16.388 -11.056 1.00 0.00 N ATOM 124 NH2 ARG A 8 -11.128 14.817 -11.987 1.00 0.00 N ATOM 0 H ARG A 8 -6.144 10.550 -7.121 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.559 11.321 -9.110 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.395 13.890 -7.797 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.518 13.990 -9.311 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.262 12.355 -10.268 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.186 12.635 -8.806 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.215 15.075 -9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.262 14.815 -10.725 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.505 13.169 -11.047 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.894 16.624 -10.526 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.343 17.129 -11.403 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.365 13.843 -12.175 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.732 15.564 -12.330 1.00 0.00 H new ATOM 138 N LYS A 9 -3.497 13.479 -7.673 1.00 0.00 N ATOM 139 CA LYS A 9 -2.095 13.874 -7.563 1.00 0.00 C ATOM 140 C LYS A 9 -1.908 14.888 -6.436 1.00 0.00 C ATOM 141 O LYS A 9 -2.885 15.386 -5.871 1.00 0.00 O ATOM 142 CB LYS A 9 -1.604 14.464 -8.890 1.00 0.00 C ATOM 143 CG LYS A 9 -0.200 14.020 -9.273 1.00 0.00 C ATOM 144 CD LYS A 9 -0.232 12.855 -10.252 1.00 0.00 C ATOM 145 CE LYS A 9 0.792 11.787 -9.887 1.00 0.00 C ATOM 146 NZ LYS A 9 0.159 10.593 -9.256 1.00 0.00 N ATOM 0 H LYS A 9 -4.149 14.125 -7.228 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.506 12.987 -7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.295 14.178 -9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.627 15.552 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.339 14.856 -9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.348 13.729 -8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.229 12.415 -10.262 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.034 13.220 -11.260 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.330 11.480 -10.784 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.528 12.210 -9.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.892 9.893 -9.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.333 10.880 -8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.525 10.172 -9.917 1.00 0.00 H new ATOM 160 N SER A 10 -0.653 15.195 -6.108 1.00 0.00 N ATOM 161 CA SER A 10 -0.355 16.156 -5.048 1.00 0.00 C ATOM 162 C SER A 10 -0.577 17.591 -5.527 1.00 0.00 C ATOM 163 O SER A 10 -1.214 18.388 -4.840 1.00 0.00 O ATOM 164 CB SER A 10 1.084 15.983 -4.552 1.00 0.00 C ATOM 165 OG SER A 10 1.146 15.082 -3.457 1.00 0.00 O ATOM 0 H SER A 10 0.169 14.794 -6.559 1.00 0.00 H new ATOM 0 HA SER A 10 -1.038 15.962 -4.221 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.710 15.615 -5.365 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.487 16.951 -4.253 1.00 0.00 H new ATOM 0 HG SER A 10 2.076 14.989 -3.162 1.00 0.00 H new ATOM 171 N THR A 11 -0.045 17.913 -6.708 1.00 0.00 N ATOM 172 CA THR A 11 -0.187 19.257 -7.272 1.00 0.00 C ATOM 173 C THR A 11 -0.383 19.215 -8.792 1.00 0.00 C ATOM 174 O THR A 11 -1.234 19.925 -9.331 1.00 0.00 O ATOM 175 CB THR A 11 1.031 20.119 -6.906 1.00 0.00 C ATOM 176 OG1 THR A 11 0.886 21.440 -7.399 1.00 0.00 O ATOM 177 CG2 THR A 11 2.348 19.576 -7.427 1.00 0.00 C ATOM 0 H THR A 11 0.486 17.265 -7.290 1.00 0.00 H new ATOM 0 HA THR A 11 -1.081 19.708 -6.840 1.00 0.00 H new ATOM 0 HB THR A 11 1.062 20.104 -5.817 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.673 21.970 -7.152 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.159 20.240 -7.128 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.521 18.582 -7.014 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.312 19.515 -8.515 1.00 0.00 H new ATOM 185 N GLY A 12 0.406 18.384 -9.478 1.00 0.00 N ATOM 186 CA GLY A 12 0.297 18.276 -10.925 1.00 0.00 C ATOM 187 C GLY A 12 1.354 19.086 -11.654 1.00 0.00 C ATOM 188 O GLY A 12 1.077 19.678 -12.698 1.00 0.00 O ATOM 0 H GLY A 12 1.117 17.786 -9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.384 17.229 -11.215 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.692 18.612 -11.237 1.00 0.00 H new ATOM 192 N GLY A 13 2.568 19.115 -11.100 1.00 0.00 N ATOM 193 CA GLY A 13 3.653 19.861 -11.715 1.00 0.00 C ATOM 194 C GLY A 13 5.001 19.509 -11.119 1.00 0.00 C ATOM 195 O GLY A 13 5.761 18.735 -11.702 1.00 0.00 O ATOM 0 H GLY A 13 2.817 18.634 -10.236 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.668 19.660 -12.786 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.472 20.929 -11.593 1.00 0.00 H new ATOM 199 N SER A 14 5.292 20.077 -9.949 1.00 0.00 N ATOM 200 CA SER A 14 6.552 19.823 -9.259 1.00 0.00 C ATOM 201 C SER A 14 6.291 19.176 -7.900 1.00 0.00 C ATOM 202 O SER A 14 5.747 19.814 -6.995 1.00 0.00 O ATOM 203 CB SER A 14 7.337 21.127 -9.079 1.00 0.00 C ATOM 204 OG SER A 14 6.487 22.188 -8.667 1.00 0.00 O ATOM 0 H SER A 14 4.668 20.718 -9.459 1.00 0.00 H new ATOM 0 HA SER A 14 7.146 19.140 -9.866 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.124 20.981 -8.340 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.825 21.392 -10.017 1.00 0.00 H new ATOM 0 HG SER A 14 5.879 21.868 -7.968 1.00 0.00 H new ATOM 210 N SER A 15 6.679 17.908 -7.766 1.00 0.00 N ATOM 211 CA SER A 15 6.483 17.175 -6.518 1.00 0.00 C ATOM 212 C SER A 15 7.509 17.595 -5.468 1.00 0.00 C ATOM 213 O SER A 15 8.597 17.019 -5.380 1.00 0.00 O ATOM 214 CB SER A 15 6.565 15.662 -6.759 1.00 0.00 C ATOM 215 OG SER A 15 7.375 15.361 -7.885 1.00 0.00 O ATOM 0 H SER A 15 7.130 17.369 -8.505 1.00 0.00 H new ATOM 0 HA SER A 15 5.488 17.417 -6.143 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.972 15.173 -5.874 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.563 15.261 -6.912 1.00 0.00 H new ATOM 0 HG SER A 15 7.410 14.390 -8.013 1.00 0.00 H new ATOM 221 N GLY A 16 7.154 18.605 -4.674 1.00 0.00 N ATOM 222 CA GLY A 16 8.044 19.088 -3.635 1.00 0.00 C ATOM 223 C GLY A 16 7.669 18.555 -2.265 1.00 0.00 C ATOM 224 O GLY A 16 8.458 17.853 -1.631 1.00 0.00 O ATOM 0 H GLY A 16 6.263 19.097 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.067 18.794 -3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.022 20.178 -3.618 1.00 0.00 H new ATOM 228 N SER A 17 6.461 18.887 -1.806 1.00 0.00 N ATOM 229 CA SER A 17 5.986 18.435 -0.499 1.00 0.00 C ATOM 230 C SER A 17 4.471 18.212 -0.508 1.00 0.00 C ATOM 231 O SER A 17 4.008 17.079 -0.373 1.00 0.00 O ATOM 232 CB SER A 17 6.364 19.450 0.590 1.00 0.00 C ATOM 233 OG SER A 17 7.654 19.993 0.360 1.00 0.00 O ATOM 0 H SER A 17 5.796 19.466 -2.319 1.00 0.00 H new ATOM 0 HA SER A 17 6.469 17.483 -0.279 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.627 20.253 0.614 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.339 18.966 1.566 1.00 0.00 H new ATOM 0 HG SER A 17 7.869 20.637 1.067 1.00 0.00 H new ATOM 239 N SER A 18 3.712 19.300 -0.675 1.00 0.00 N ATOM 240 CA SER A 18 2.246 19.239 -0.710 1.00 0.00 C ATOM 241 C SER A 18 1.666 18.849 0.656 1.00 0.00 C ATOM 242 O SER A 18 1.118 19.694 1.365 1.00 0.00 O ATOM 243 CB SER A 18 1.775 18.265 -1.800 1.00 0.00 C ATOM 244 OG SER A 18 0.938 18.918 -2.741 1.00 0.00 O ATOM 0 H SER A 18 4.092 20.240 -0.789 1.00 0.00 H new ATOM 0 HA SER A 18 1.876 20.236 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.639 17.840 -2.311 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.235 17.436 -1.343 1.00 0.00 H new ATOM 0 HG SER A 18 0.112 18.404 -2.856 1.00 0.00 H new ATOM 250 N GLN A 19 1.792 17.571 1.024 1.00 0.00 N ATOM 251 CA GLN A 19 1.286 17.083 2.304 1.00 0.00 C ATOM 252 C GLN A 19 2.393 16.378 3.083 1.00 0.00 C ATOM 253 O GLN A 19 3.107 15.536 2.531 1.00 0.00 O ATOM 254 CB GLN A 19 0.107 16.130 2.084 1.00 0.00 C ATOM 255 CG GLN A 19 -1.236 16.838 1.986 1.00 0.00 C ATOM 256 CD GLN A 19 -1.702 17.024 0.554 1.00 0.00 C ATOM 257 OE1 GLN A 19 -2.087 16.065 -0.115 1.00 0.00 O ATOM 258 NE2 GLN A 19 -1.668 18.264 0.074 1.00 0.00 N ATOM 0 H GLN A 19 2.241 16.857 0.451 1.00 0.00 H new ATOM 0 HA GLN A 19 0.941 17.938 2.885 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.276 15.561 1.170 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.072 15.413 2.904 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.984 16.265 2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.163 17.813 2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.342 19.030 0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.968 18.449 -0.883 1.00 0.00 H new ATOM 267 N SER A 20 2.532 16.731 4.365 1.00 0.00 N ATOM 268 CA SER A 20 3.553 16.144 5.239 1.00 0.00 C ATOM 269 C SER A 20 4.954 16.621 4.851 1.00 0.00 C ATOM 270 O SER A 20 5.339 16.560 3.682 1.00 0.00 O ATOM 271 CB SER A 20 3.487 14.612 5.201 1.00 0.00 C ATOM 272 OG SER A 20 2.683 14.108 6.254 1.00 0.00 O ATOM 0 H SER A 20 1.944 17.427 4.824 1.00 0.00 H new ATOM 0 HA SER A 20 3.348 16.478 6.256 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.082 14.286 4.243 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.493 14.200 5.279 1.00 0.00 H new ATOM 0 HG SER A 20 2.656 13.130 6.206 1.00 0.00 H new ATOM 278 N LEU A 21 5.713 17.095 5.843 1.00 0.00 N ATOM 279 CA LEU A 21 7.075 17.581 5.606 1.00 0.00 C ATOM 280 C LEU A 21 7.979 16.448 5.118 1.00 0.00 C ATOM 281 O LEU A 21 8.707 16.605 4.137 1.00 0.00 O ATOM 282 CB LEU A 21 7.653 18.206 6.880 1.00 0.00 C ATOM 283 CG LEU A 21 6.861 19.393 7.439 1.00 0.00 C ATOM 284 CD1 LEU A 21 7.264 19.671 8.880 1.00 0.00 C ATOM 285 CD2 LEU A 21 7.066 20.631 6.574 1.00 0.00 C ATOM 0 H LEU A 21 5.409 17.152 6.815 1.00 0.00 H new ATOM 0 HA LEU A 21 7.030 18.346 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.714 17.436 7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.672 18.533 6.675 1.00 0.00 H new ATOM 0 HG LEU A 21 5.801 19.138 7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.692 20.517 9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.061 18.791 9.491 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.328 19.904 8.922 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.495 21.462 6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.124 20.891 6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.725 20.426 5.559 1.00 0.00 H new ATOM 297 N ILE A 22 7.913 15.305 5.804 1.00 0.00 N ATOM 298 CA ILE A 22 8.712 14.135 5.439 1.00 0.00 C ATOM 299 C ILE A 22 7.799 12.941 5.160 1.00 0.00 C ATOM 300 O ILE A 22 7.251 12.337 6.087 1.00 0.00 O ATOM 301 CB ILE A 22 9.728 13.766 6.549 1.00 0.00 C ATOM 302 CG1 ILE A 22 10.497 15.008 7.014 1.00 0.00 C ATOM 303 CG2 ILE A 22 10.696 12.698 6.053 1.00 0.00 C ATOM 304 CD1 ILE A 22 11.252 15.708 5.902 1.00 0.00 C ATOM 0 H ILE A 22 7.313 15.165 6.617 1.00 0.00 H new ATOM 0 HA ILE A 22 9.272 14.387 4.539 1.00 0.00 H new ATOM 0 HB ILE A 22 9.175 13.366 7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.796 15.711 7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.202 14.718 7.793 1.00 0.00 H new ATOM 0 HG21 ILE A 22 11.402 12.451 6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 22 10.139 11.804 5.772 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.240 13.074 5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.772 16.577 6.306 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.978 15.021 5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 22 10.550 16.030 5.133 1.00 0.00 H new ATOM 316 N ASP A 23 7.627 12.619 3.877 1.00 0.00 N ATOM 317 CA ASP A 23 6.765 11.509 3.465 1.00 0.00 C ATOM 318 C ASP A 23 7.244 10.893 2.147 1.00 0.00 C ATOM 319 O ASP A 23 7.845 11.578 1.317 1.00 0.00 O ATOM 320 CB ASP A 23 5.322 12.010 3.317 1.00 0.00 C ATOM 321 CG ASP A 23 4.295 10.890 3.227 1.00 0.00 C ATOM 322 OD1 ASP A 23 4.556 9.786 3.750 1.00 0.00 O ATOM 323 OD2 ASP A 23 3.223 11.124 2.637 1.00 0.00 O ATOM 0 H ASP A 23 8.074 13.112 3.104 1.00 0.00 H new ATOM 0 HA ASP A 23 6.809 10.735 4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.079 12.648 4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.251 12.630 2.423 1.00 0.00 H new ATOM 328 N GLU A 24 6.976 9.595 1.962 1.00 0.00 N ATOM 329 CA GLU A 24 7.380 8.887 0.744 1.00 0.00 C ATOM 330 C GLU A 24 6.358 7.817 0.354 1.00 0.00 C ATOM 331 O GLU A 24 6.218 6.801 1.040 1.00 0.00 O ATOM 332 CB GLU A 24 8.758 8.241 0.938 1.00 0.00 C ATOM 333 CG GLU A 24 9.911 9.087 0.418 1.00 0.00 C ATOM 334 CD GLU A 24 9.964 9.134 -1.097 1.00 0.00 C ATOM 335 OE1 GLU A 24 10.278 8.094 -1.713 1.00 0.00 O ATOM 336 OE2 GLU A 24 9.688 10.210 -1.667 1.00 0.00 O ATOM 0 H GLU A 24 6.482 9.015 2.640 1.00 0.00 H new ATOM 0 HA GLU A 24 7.432 9.618 -0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.912 8.047 1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.771 7.276 0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.816 10.101 0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.851 8.687 0.798 1.00 0.00 H new ATOM 343 N ASP A 25 5.651 8.052 -0.755 1.00 0.00 N ATOM 344 CA ASP A 25 4.639 7.110 -1.250 1.00 0.00 C ATOM 345 C ASP A 25 5.277 5.804 -1.741 1.00 0.00 C ATOM 346 O ASP A 25 6.501 5.691 -1.824 1.00 0.00 O ATOM 347 CB ASP A 25 3.832 7.751 -2.386 1.00 0.00 C ATOM 348 CG ASP A 25 2.939 8.879 -1.909 1.00 0.00 C ATOM 349 OD1 ASP A 25 3.464 9.844 -1.313 1.00 0.00 O ATOM 350 OD2 ASP A 25 1.714 8.794 -2.123 1.00 0.00 O ATOM 0 H ASP A 25 5.760 8.888 -1.329 1.00 0.00 H new ATOM 0 HA ASP A 25 3.975 6.871 -0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.518 8.132 -3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.220 6.988 -2.866 1.00 0.00 H new ATOM 355 N ALA A 26 4.430 4.821 -2.064 1.00 0.00 N ATOM 356 CA ALA A 26 4.893 3.517 -2.544 1.00 0.00 C ATOM 357 C ALA A 26 4.527 3.295 -4.017 1.00 0.00 C ATOM 358 O ALA A 26 3.907 4.154 -4.648 1.00 0.00 O ATOM 359 CB ALA A 26 4.302 2.410 -1.683 1.00 0.00 C ATOM 0 H ALA A 26 3.415 4.906 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 26 5.980 3.496 -2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.650 1.443 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.618 2.546 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.214 2.448 -1.738 1.00 0.00 H new ATOM 365 N VAL A 27 4.921 2.137 -4.558 1.00 0.00 N ATOM 366 CA VAL A 27 4.639 1.801 -5.955 1.00 0.00 C ATOM 367 C VAL A 27 4.003 0.414 -6.078 1.00 0.00 C ATOM 368 O VAL A 27 4.640 -0.600 -5.783 1.00 0.00 O ATOM 369 CB VAL A 27 5.920 1.855 -6.818 1.00 0.00 C ATOM 370 CG1 VAL A 27 6.324 3.298 -7.086 1.00 0.00 C ATOM 371 CG2 VAL A 27 7.059 1.090 -6.153 1.00 0.00 C ATOM 0 H VAL A 27 5.436 1.418 -4.049 1.00 0.00 H new ATOM 0 HA VAL A 27 3.934 2.547 -6.322 1.00 0.00 H new ATOM 0 HB VAL A 27 5.706 1.375 -7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.228 3.316 -7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.520 3.809 -7.615 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.514 3.804 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.949 1.144 -6.781 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.274 1.531 -5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.769 0.047 -6.022 1.00 0.00 H new ATOM 381 N CYS A 28 2.740 0.378 -6.508 1.00 0.00 N ATOM 382 CA CYS A 28 2.008 -0.877 -6.664 1.00 0.00 C ATOM 383 C CYS A 28 2.659 -1.794 -7.704 1.00 0.00 C ATOM 384 O CYS A 28 3.309 -1.328 -8.643 1.00 0.00 O ATOM 385 CB CYS A 28 0.557 -0.596 -7.045 1.00 0.00 C ATOM 386 SG CYS A 28 -0.402 -2.082 -7.469 1.00 0.00 S ATOM 0 H CYS A 28 2.202 1.209 -6.755 1.00 0.00 H new ATOM 0 HA CYS A 28 2.037 -1.395 -5.705 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.067 -0.085 -6.216 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.542 0.088 -7.894 1.00 0.00 H new ATOM 391 N SER A 29 2.478 -3.106 -7.520 1.00 0.00 N ATOM 392 CA SER A 29 3.043 -4.107 -8.426 1.00 0.00 C ATOM 393 C SER A 29 1.987 -4.687 -9.370 1.00 0.00 C ATOM 394 O SER A 29 2.306 -5.059 -10.501 1.00 0.00 O ATOM 395 CB SER A 29 3.690 -5.238 -7.625 1.00 0.00 C ATOM 396 OG SER A 29 4.630 -4.736 -6.688 1.00 0.00 O ATOM 0 H SER A 29 1.941 -3.499 -6.747 1.00 0.00 H new ATOM 0 HA SER A 29 3.797 -3.606 -9.033 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.919 -5.803 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.186 -5.930 -8.305 1.00 0.00 H new ATOM 0 HG SER A 29 5.026 -5.482 -6.190 1.00 0.00 H new ATOM 402 N ILE A 30 0.732 -4.772 -8.912 1.00 0.00 N ATOM 403 CA ILE A 30 -0.345 -5.315 -9.737 1.00 0.00 C ATOM 404 C ILE A 30 -0.667 -4.384 -10.908 1.00 0.00 C ATOM 405 O ILE A 30 -1.082 -4.839 -11.974 1.00 0.00 O ATOM 406 CB ILE A 30 -1.632 -5.553 -8.906 1.00 0.00 C ATOM 407 CG1 ILE A 30 -1.495 -6.822 -8.061 1.00 0.00 C ATOM 408 CG2 ILE A 30 -2.857 -5.646 -9.813 1.00 0.00 C ATOM 409 CD1 ILE A 30 -1.306 -6.551 -6.583 1.00 0.00 C ATOM 0 H ILE A 30 0.442 -4.473 -7.981 1.00 0.00 H new ATOM 0 HA ILE A 30 0.006 -6.271 -10.125 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.768 -4.702 -8.238 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.384 -7.437 -8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.647 -7.402 -8.427 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.747 -5.813 -9.206 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.968 -4.716 -10.371 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.732 -6.475 -10.510 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.216 -7.497 -6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.401 -5.963 -6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.165 -5.998 -6.202 1.00 0.00 H new ATOM 421 N CYS A 31 -0.487 -3.080 -10.697 1.00 0.00 N ATOM 422 CA CYS A 31 -0.778 -2.091 -11.725 1.00 0.00 C ATOM 423 C CYS A 31 0.331 -1.043 -11.829 1.00 0.00 C ATOM 424 O CYS A 31 0.988 -0.717 -10.839 1.00 0.00 O ATOM 425 CB CYS A 31 -2.124 -1.427 -11.417 1.00 0.00 C ATOM 426 SG CYS A 31 -2.039 -0.092 -10.176 1.00 0.00 S ATOM 0 H CYS A 31 -0.141 -2.688 -9.821 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.831 -2.596 -12.690 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.535 -1.022 -12.341 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.820 -2.189 -11.066 1.00 0.00 H new ATOM 431 N MET A 32 0.528 -0.515 -13.041 1.00 0.00 N ATOM 432 CA MET A 32 1.549 0.504 -13.289 1.00 0.00 C ATOM 433 C MET A 32 0.893 1.869 -13.501 1.00 0.00 C ATOM 434 O MET A 32 1.163 2.554 -14.491 1.00 0.00 O ATOM 435 CB MET A 32 2.394 0.129 -14.514 1.00 0.00 C ATOM 436 CG MET A 32 3.456 -0.923 -14.232 1.00 0.00 C ATOM 437 SD MET A 32 3.130 -2.486 -15.073 1.00 0.00 S ATOM 438 CE MET A 32 3.148 -1.964 -16.787 1.00 0.00 C ATOM 0 H MET A 32 -0.009 -0.778 -13.867 1.00 0.00 H new ATOM 0 HA MET A 32 2.202 0.558 -12.418 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.734 -0.237 -15.300 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.879 1.027 -14.897 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.429 -0.544 -14.544 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.512 -1.098 -13.158 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.474 -2.792 -17.416 1.00 0.00 H new ATOM 0 HE2 MET A 32 2.146 -1.655 -17.084 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.835 -1.126 -16.905 1.00 0.00 H new ATOM 448 N ASP A 33 0.020 2.250 -12.565 1.00 0.00 N ATOM 449 CA ASP A 33 -0.698 3.523 -12.638 1.00 0.00 C ATOM 450 C ASP A 33 -1.555 3.606 -13.906 1.00 0.00 C ATOM 451 O ASP A 33 -1.749 4.688 -14.466 1.00 0.00 O ATOM 452 CB ASP A 33 0.282 4.704 -12.591 1.00 0.00 C ATOM 453 CG ASP A 33 0.006 5.649 -11.434 1.00 0.00 C ATOM 454 OD1 ASP A 33 -1.170 6.024 -11.238 1.00 0.00 O ATOM 455 OD2 ASP A 33 0.966 6.015 -10.726 1.00 0.00 O ATOM 0 H ASP A 33 -0.207 1.690 -11.743 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.358 3.577 -11.772 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.300 4.323 -12.509 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.223 5.257 -13.528 1.00 0.00 H new ATOM 460 N GLY A 34 -2.075 2.460 -14.350 1.00 0.00 N ATOM 461 CA GLY A 34 -2.907 2.433 -15.541 1.00 0.00 C ATOM 462 C GLY A 34 -4.359 2.107 -15.231 1.00 0.00 C ATOM 463 O GLY A 34 -5.033 1.447 -16.024 1.00 0.00 O ATOM 0 H GLY A 34 -1.934 1.553 -13.906 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.854 3.401 -16.039 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.513 1.694 -16.238 1.00 0.00 H new ATOM 467 N GLU A 35 -4.840 2.570 -14.075 1.00 0.00 N ATOM 468 CA GLU A 35 -6.222 2.327 -13.659 1.00 0.00 C ATOM 469 C GLU A 35 -7.142 3.481 -14.068 1.00 0.00 C ATOM 470 O GLU A 35 -8.355 3.299 -14.188 1.00 0.00 O ATOM 471 CB GLU A 35 -6.300 2.114 -12.141 1.00 0.00 C ATOM 472 CG GLU A 35 -5.546 3.166 -11.333 1.00 0.00 C ATOM 473 CD GLU A 35 -6.095 3.361 -9.928 1.00 0.00 C ATOM 474 OE1 GLU A 35 -6.823 2.472 -9.434 1.00 0.00 O ATOM 475 OE2 GLU A 35 -5.792 4.408 -9.317 1.00 0.00 O ATOM 0 H GLU A 35 -4.292 3.116 -13.410 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.561 1.423 -14.166 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.347 2.116 -11.836 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.900 1.129 -11.901 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.496 2.879 -11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.584 4.117 -11.865 1.00 0.00 H new ATOM 482 N SER A 36 -6.563 4.671 -14.272 1.00 0.00 N ATOM 483 CA SER A 36 -7.336 5.853 -14.656 1.00 0.00 C ATOM 484 C SER A 36 -8.310 6.262 -13.546 1.00 0.00 C ATOM 485 O SER A 36 -9.394 6.782 -13.818 1.00 0.00 O ATOM 486 CB SER A 36 -8.101 5.590 -15.960 1.00 0.00 C ATOM 487 OG SER A 36 -8.041 6.715 -16.822 1.00 0.00 O ATOM 0 H SER A 36 -5.561 4.838 -14.177 1.00 0.00 H new ATOM 0 HA SER A 36 -6.637 6.674 -14.814 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.680 4.719 -16.463 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.141 5.356 -15.734 1.00 0.00 H new ATOM 0 HG SER A 36 -8.534 6.522 -17.646 1.00 0.00 H new ATOM 493 N GLN A 37 -7.911 6.029 -12.294 1.00 0.00 N ATOM 494 CA GLN A 37 -8.736 6.374 -11.142 1.00 0.00 C ATOM 495 C GLN A 37 -8.147 7.566 -10.392 1.00 0.00 C ATOM 496 O GLN A 37 -7.028 7.997 -10.680 1.00 0.00 O ATOM 497 CB GLN A 37 -8.853 5.171 -10.200 1.00 0.00 C ATOM 498 CG GLN A 37 -10.196 5.072 -9.496 1.00 0.00 C ATOM 499 CD GLN A 37 -10.483 3.671 -8.994 1.00 0.00 C ATOM 500 OE1 GLN A 37 -11.210 2.908 -9.631 1.00 0.00 O ATOM 501 NE2 GLN A 37 -9.911 3.323 -7.846 1.00 0.00 N ATOM 0 H GLN A 37 -7.017 5.601 -12.055 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.729 6.647 -11.500 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.684 4.257 -10.770 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.064 5.230 -9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.215 5.767 -8.656 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.986 5.378 -10.182 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.316 3.987 -7.351 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.067 2.392 -7.460 1.00 0.00 H new ATOM 510 N ASN A 38 -8.900 8.094 -9.425 1.00 0.00 N ATOM 511 CA ASN A 38 -8.439 9.233 -8.633 1.00 0.00 C ATOM 512 C ASN A 38 -8.073 8.801 -7.211 1.00 0.00 C ATOM 513 O ASN A 38 -6.990 9.124 -6.724 1.00 0.00 O ATOM 514 CB ASN A 38 -9.498 10.347 -8.598 1.00 0.00 C ATOM 515 CG ASN A 38 -10.889 9.843 -8.261 1.00 0.00 C ATOM 516 OD1 ASN A 38 -11.601 9.328 -9.123 1.00 0.00 O ATOM 517 ND2 ASN A 38 -11.287 9.989 -6.999 1.00 0.00 N ATOM 0 H ASN A 38 -9.827 7.752 -9.173 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.543 9.627 -9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.203 11.096 -7.863 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.524 10.844 -9.568 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.213 9.669 -6.716 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.666 10.421 -6.315 1.00 0.00 H new ATOM 524 N SER A 39 -8.976 8.074 -6.550 1.00 0.00 N ATOM 525 CA SER A 39 -8.737 7.605 -5.185 1.00 0.00 C ATOM 526 C SER A 39 -8.209 6.171 -5.179 1.00 0.00 C ATOM 527 O SER A 39 -8.818 5.273 -5.766 1.00 0.00 O ATOM 528 CB SER A 39 -10.022 7.689 -4.357 1.00 0.00 C ATOM 529 OG SER A 39 -9.729 7.846 -2.979 1.00 0.00 O ATOM 0 H SER A 39 -9.878 7.798 -6.938 1.00 0.00 H new ATOM 0 HA SER A 39 -7.982 8.252 -4.739 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.627 8.528 -4.702 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.615 6.786 -4.506 1.00 0.00 H new ATOM 0 HG SER A 39 -10.565 7.899 -2.471 1.00 0.00 H new ATOM 535 N ASN A 40 -7.074 5.964 -4.511 1.00 0.00 N ATOM 536 CA ASN A 40 -6.457 4.640 -4.421 1.00 0.00 C ATOM 537 C ASN A 40 -5.800 4.434 -3.055 1.00 0.00 C ATOM 538 O ASN A 40 -5.400 5.397 -2.398 1.00 0.00 O ATOM 539 CB ASN A 40 -5.424 4.450 -5.538 1.00 0.00 C ATOM 540 CG ASN A 40 -4.387 5.559 -5.564 1.00 0.00 C ATOM 541 OD1 ASN A 40 -4.582 6.585 -6.214 1.00 0.00 O ATOM 542 ND2 ASN A 40 -3.281 5.359 -4.856 1.00 0.00 N ATOM 0 H ASN A 40 -6.562 6.699 -4.023 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.243 3.895 -4.540 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -4.923 3.491 -5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.936 4.413 -6.500 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.552 6.072 -4.837 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.161 4.493 -4.331 1.00 0.00 H new ATOM 549 N VAL A 41 -5.690 3.170 -2.636 1.00 0.00 N ATOM 550 CA VAL A 41 -5.080 2.836 -1.348 1.00 0.00 C ATOM 551 C VAL A 41 -3.981 1.783 -1.507 1.00 0.00 C ATOM 552 O VAL A 41 -4.266 0.599 -1.692 1.00 0.00 O ATOM 553 CB VAL A 41 -6.126 2.326 -0.329 1.00 0.00 C ATOM 554 CG1 VAL A 41 -7.011 3.465 0.150 1.00 0.00 C ATOM 555 CG2 VAL A 41 -6.970 1.203 -0.922 1.00 0.00 C ATOM 0 H VAL A 41 -6.015 2.364 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.642 3.759 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.587 1.924 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.739 3.084 0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.396 4.227 0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.533 3.902 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.696 0.865 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.494 1.569 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.324 0.371 -1.203 1.00 0.00 H new ATOM 565 N ILE A 42 -2.725 2.225 -1.428 1.00 0.00 N ATOM 566 CA ILE A 42 -1.585 1.317 -1.555 1.00 0.00 C ATOM 567 C ILE A 42 -1.228 0.709 -0.199 1.00 0.00 C ATOM 568 O ILE A 42 -1.355 1.367 0.837 1.00 0.00 O ATOM 569 CB ILE A 42 -0.351 2.035 -2.156 1.00 0.00 C ATOM 570 CG1 ILE A 42 0.689 1.016 -2.639 1.00 0.00 C ATOM 571 CG2 ILE A 42 0.269 2.997 -1.149 1.00 0.00 C ATOM 572 CD1 ILE A 42 0.883 1.019 -4.139 1.00 0.00 C ATOM 0 H ILE A 42 -2.472 3.202 -1.277 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.877 0.518 -2.237 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.688 2.616 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.644 1.226 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.384 0.019 -2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.133 3.487 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.467 3.749 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.585 2.444 -0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.632 0.275 -4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.061 0.779 -4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.218 2.005 -4.461 1.00 0.00 H new ATOM 584 N LEU A 43 -0.790 -0.549 -0.208 1.00 0.00 N ATOM 585 CA LEU A 43 -0.429 -1.247 1.022 1.00 0.00 C ATOM 586 C LEU A 43 1.034 -1.661 1.007 1.00 0.00 C ATOM 587 O LEU A 43 1.511 -2.241 0.034 1.00 0.00 O ATOM 588 CB LEU A 43 -1.307 -2.483 1.211 1.00 0.00 C ATOM 589 CG LEU A 43 -2.797 -2.200 1.388 1.00 0.00 C ATOM 590 CD1 LEU A 43 -3.604 -3.481 1.273 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.052 -1.524 2.725 1.00 0.00 C ATOM 0 H LEU A 43 -0.677 -1.105 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.589 -0.560 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.177 -3.137 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.951 -3.032 2.083 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.116 -1.525 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.663 -3.257 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.444 -3.925 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.285 -4.182 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.119 -1.329 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.716 -2.175 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.504 -0.582 2.767 1.00 0.00 H new ATOM 603 N PHE A 44 1.735 -1.367 2.097 1.00 0.00 N ATOM 604 CA PHE A 44 3.148 -1.711 2.224 1.00 0.00 C ATOM 605 C PHE A 44 3.350 -2.758 3.309 1.00 0.00 C ATOM 606 O PHE A 44 2.768 -2.654 4.392 1.00 0.00 O ATOM 607 CB PHE A 44 3.963 -0.458 2.553 1.00 0.00 C ATOM 608 CG PHE A 44 5.214 -0.318 1.737 1.00 0.00 C ATOM 609 CD1 PHE A 44 5.144 -0.169 0.362 1.00 0.00 C ATOM 610 CD2 PHE A 44 6.459 -0.330 2.344 1.00 0.00 C ATOM 611 CE1 PHE A 44 6.294 -0.037 -0.393 1.00 0.00 C ATOM 612 CE2 PHE A 44 7.612 -0.199 1.595 1.00 0.00 C ATOM 613 CZ PHE A 44 7.529 -0.049 0.224 1.00 0.00 C ATOM 0 H PHE A 44 1.346 -0.889 2.910 1.00 0.00 H new ATOM 0 HA PHE A 44 3.489 -2.124 1.275 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.338 0.422 2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.230 -0.476 3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.180 -0.156 -0.126 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.529 -0.443 3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 44 6.227 0.075 -1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.577 -0.214 2.080 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.429 0.059 -0.364 1.00 0.00 H new ATOM 623 N CYS A 45 4.175 -3.769 3.028 1.00 0.00 N ATOM 624 CA CYS A 45 4.432 -4.818 4.012 1.00 0.00 C ATOM 625 C CYS A 45 5.175 -4.256 5.223 1.00 0.00 C ATOM 626 O CYS A 45 5.909 -3.269 5.110 1.00 0.00 O ATOM 627 CB CYS A 45 5.224 -5.970 3.393 1.00 0.00 C ATOM 628 SG CYS A 45 5.109 -7.509 4.358 1.00 0.00 S ATOM 0 H CYS A 45 4.668 -3.882 2.142 1.00 0.00 H new ATOM 0 HA CYS A 45 3.469 -5.204 4.344 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.859 -6.153 2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.271 -5.679 3.306 1.00 0.00 H new ATOM 633 N ASP A 46 4.976 -4.879 6.384 1.00 0.00 N ATOM 634 CA ASP A 46 5.623 -4.427 7.614 1.00 0.00 C ATOM 635 C ASP A 46 7.021 -5.031 7.789 1.00 0.00 C ATOM 636 O ASP A 46 7.804 -4.551 8.612 1.00 0.00 O ATOM 637 CB ASP A 46 4.741 -4.738 8.829 1.00 0.00 C ATOM 638 CG ASP A 46 3.811 -3.584 9.180 1.00 0.00 C ATOM 639 OD1 ASP A 46 4.195 -2.412 8.964 1.00 0.00 O ATOM 640 OD2 ASP A 46 2.697 -3.853 9.669 1.00 0.00 O ATOM 0 H ASP A 46 4.374 -5.695 6.498 1.00 0.00 H new ATOM 0 HA ASP A 46 5.749 -3.347 7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.148 -5.630 8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.375 -4.965 9.686 1.00 0.00 H new ATOM 645 N MET A 47 7.351 -6.052 6.993 1.00 0.00 N ATOM 646 CA MET A 47 8.670 -6.668 7.050 1.00 0.00 C ATOM 647 C MET A 47 9.247 -6.771 5.637 1.00 0.00 C ATOM 648 O MET A 47 10.229 -7.480 5.404 1.00 0.00 O ATOM 649 CB MET A 47 8.592 -8.056 7.697 1.00 0.00 C ATOM 650 CG MET A 47 9.882 -8.473 8.388 1.00 0.00 C ATOM 651 SD MET A 47 9.790 -10.128 9.100 1.00 0.00 S ATOM 652 CE MET A 47 11.028 -10.990 8.133 1.00 0.00 C ATOM 0 H MET A 47 6.722 -6.465 6.305 1.00 0.00 H new ATOM 0 HA MET A 47 9.324 -6.047 7.661 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.780 -8.065 8.424 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.344 -8.792 6.932 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.702 -8.436 7.670 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.115 -7.756 9.175 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.086 -12.028 8.459 1.00 0.00 H new ATOM 0 HE2 MET A 47 10.755 -10.956 7.078 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.997 -10.511 8.273 1.00 0.00 H new ATOM 662 N CYS A 48 8.606 -6.067 4.696 1.00 0.00 N ATOM 663 CA CYS A 48 9.014 -6.078 3.307 1.00 0.00 C ATOM 664 C CYS A 48 8.650 -4.763 2.614 1.00 0.00 C ATOM 665 O CYS A 48 8.176 -3.821 3.256 1.00 0.00 O ATOM 666 CB CYS A 48 8.316 -7.237 2.595 1.00 0.00 C ATOM 667 SG CYS A 48 8.433 -8.841 3.446 1.00 0.00 S ATOM 0 H CYS A 48 7.794 -5.479 4.886 1.00 0.00 H new ATOM 0 HA CYS A 48 10.096 -6.199 3.262 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.263 -6.985 2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.741 -7.340 1.597 1.00 0.00 H new ATOM 672 N ASN A 49 8.860 -4.717 1.299 1.00 0.00 N ATOM 673 CA ASN A 49 8.540 -3.538 0.497 1.00 0.00 C ATOM 674 C ASN A 49 7.353 -3.805 -0.438 1.00 0.00 C ATOM 675 O ASN A 49 7.006 -2.951 -1.257 1.00 0.00 O ATOM 676 CB ASN A 49 9.761 -3.105 -0.323 1.00 0.00 C ATOM 677 CG ASN A 49 10.617 -2.085 0.406 1.00 0.00 C ATOM 678 OD1 ASN A 49 10.652 -0.912 0.037 1.00 0.00 O ATOM 679 ND2 ASN A 49 11.316 -2.529 1.444 1.00 0.00 N ATOM 0 H ASN A 49 9.254 -5.490 0.763 1.00 0.00 H new ATOM 0 HA ASN A 49 8.262 -2.736 1.181 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.366 -3.981 -0.559 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.427 -2.684 -1.271 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.911 -1.889 1.969 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.258 -3.510 1.716 1.00 0.00 H new ATOM 686 N LEU A 50 6.739 -4.993 -0.322 1.00 0.00 N ATOM 687 CA LEU A 50 5.602 -5.358 -1.166 1.00 0.00 C ATOM 688 C LEU A 50 4.517 -4.285 -1.117 1.00 0.00 C ATOM 689 O LEU A 50 3.738 -4.215 -0.165 1.00 0.00 O ATOM 690 CB LEU A 50 5.025 -6.712 -0.734 1.00 0.00 C ATOM 691 CG LEU A 50 3.791 -7.171 -1.518 1.00 0.00 C ATOM 692 CD1 LEU A 50 4.190 -8.086 -2.667 1.00 0.00 C ATOM 693 CD2 LEU A 50 2.800 -7.867 -0.599 1.00 0.00 C ATOM 0 H LEU A 50 7.014 -5.712 0.347 1.00 0.00 H new ATOM 0 HA LEU A 50 5.959 -5.438 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.802 -7.469 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.766 -6.659 0.323 1.00 0.00 H new ATOM 0 HG LEU A 50 3.308 -6.289 -1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.298 -8.399 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.857 -7.551 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.702 -8.964 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.931 -8.185 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.274 -8.738 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.484 -7.178 0.184 1.00 0.00 H new ATOM 705 N ALA A 51 4.481 -3.451 -2.153 1.00 0.00 N ATOM 706 CA ALA A 51 3.501 -2.380 -2.238 1.00 0.00 C ATOM 707 C ALA A 51 2.417 -2.723 -3.254 1.00 0.00 C ATOM 708 O ALA A 51 2.680 -2.762 -4.455 1.00 0.00 O ATOM 709 CB ALA A 51 4.176 -1.068 -2.611 1.00 0.00 C ATOM 0 H ALA A 51 5.122 -3.499 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 51 3.035 -2.266 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.428 -0.278 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.916 -0.811 -1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.669 -1.174 -3.578 1.00 0.00 H new ATOM 715 N VAL A 52 1.204 -2.984 -2.770 1.00 0.00 N ATOM 716 CA VAL A 52 0.085 -3.328 -3.647 1.00 0.00 C ATOM 717 C VAL A 52 -1.236 -2.795 -3.097 1.00 0.00 C ATOM 718 O VAL A 52 -1.528 -2.958 -1.912 1.00 0.00 O ATOM 719 CB VAL A 52 -0.034 -4.859 -3.845 1.00 0.00 C ATOM 720 CG1 VAL A 52 1.041 -5.364 -4.795 1.00 0.00 C ATOM 721 CG2 VAL A 52 0.045 -5.590 -2.509 1.00 0.00 C ATOM 0 H VAL A 52 0.971 -2.964 -1.777 1.00 0.00 H new ATOM 0 HA VAL A 52 0.290 -2.860 -4.610 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.008 -5.066 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.939 -6.442 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.931 -4.875 -5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.025 -5.138 -4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.041 -6.664 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.000 -5.373 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.768 -5.257 -1.863 1.00 0.00 H new ATOM 731 N HIS A 53 -2.047 -2.172 -3.959 1.00 0.00 N ATOM 732 CA HIS A 53 -3.346 -1.647 -3.526 1.00 0.00 C ATOM 733 C HIS A 53 -4.232 -2.786 -3.019 1.00 0.00 C ATOM 734 O HIS A 53 -4.206 -3.888 -3.569 1.00 0.00 O ATOM 735 CB HIS A 53 -4.070 -0.914 -4.669 1.00 0.00 C ATOM 736 CG HIS A 53 -3.279 0.190 -5.305 1.00 0.00 C ATOM 737 ND1 HIS A 53 -2.716 0.041 -6.547 1.00 0.00 N ATOM 738 CD2 HIS A 53 -3.015 1.440 -4.847 1.00 0.00 C ATOM 739 CE1 HIS A 53 -2.126 1.190 -6.822 1.00 0.00 C ATOM 740 NE2 HIS A 53 -2.280 2.070 -5.820 1.00 0.00 N ATOM 0 H HIS A 53 -1.832 -2.021 -4.945 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.160 -0.935 -2.722 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.337 -1.640 -5.437 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.002 -0.500 -4.284 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.324 1.858 -3.900 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.588 1.395 -7.736 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.920 3.024 -5.788 1.00 0.00 H new ATOM 748 N GLN A 54 -5.025 -2.518 -1.980 1.00 0.00 N ATOM 749 CA GLN A 54 -5.925 -3.535 -1.424 1.00 0.00 C ATOM 750 C GLN A 54 -6.989 -3.952 -2.446 1.00 0.00 C ATOM 751 O GLN A 54 -7.589 -5.021 -2.326 1.00 0.00 O ATOM 752 CB GLN A 54 -6.598 -3.030 -0.141 1.00 0.00 C ATOM 753 CG GLN A 54 -7.555 -1.864 -0.352 1.00 0.00 C ATOM 754 CD GLN A 54 -9.013 -2.276 -0.246 1.00 0.00 C ATOM 755 OE1 GLN A 54 -9.798 -2.065 -1.171 1.00 0.00 O ATOM 756 NE2 GLN A 54 -9.386 -2.863 0.888 1.00 0.00 N ATOM 0 H GLN A 54 -5.064 -1.614 -1.509 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.320 -4.409 -1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.144 -3.854 0.318 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.825 -2.727 0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.346 -1.090 0.386 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.376 -1.425 -1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.704 -3.019 1.630 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.354 -3.157 1.016 1.00 0.00 H new ATOM 765 N GLU A 55 -7.193 -3.113 -3.465 1.00 0.00 N ATOM 766 CA GLU A 55 -8.149 -3.399 -4.527 1.00 0.00 C ATOM 767 C GLU A 55 -7.458 -4.174 -5.641 1.00 0.00 C ATOM 768 O GLU A 55 -8.084 -4.940 -6.373 1.00 0.00 O ATOM 769 CB GLU A 55 -8.738 -2.098 -5.075 1.00 0.00 C ATOM 770 CG GLU A 55 -10.200 -2.209 -5.471 1.00 0.00 C ATOM 771 CD GLU A 55 -10.590 -1.218 -6.552 1.00 0.00 C ATOM 772 OE1 GLU A 55 -10.131 -1.380 -7.702 1.00 0.00 O ATOM 773 OE2 GLU A 55 -11.354 -0.278 -6.245 1.00 0.00 O ATOM 0 H GLU A 55 -6.703 -2.225 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.962 -4.002 -4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.633 -1.317 -4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.158 -1.784 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.401 -3.221 -5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.824 -2.046 -4.592 1.00 0.00 H new ATOM 780 N CYS A 56 -6.150 -3.955 -5.747 1.00 0.00 N ATOM 781 CA CYS A 56 -5.319 -4.598 -6.742 1.00 0.00 C ATOM 782 C CYS A 56 -5.026 -6.039 -6.338 1.00 0.00 C ATOM 783 O CYS A 56 -5.028 -6.941 -7.175 1.00 0.00 O ATOM 784 CB CYS A 56 -4.015 -3.815 -6.881 1.00 0.00 C ATOM 785 SG CYS A 56 -3.803 -2.989 -8.488 1.00 0.00 S ATOM 0 H CYS A 56 -5.639 -3.319 -5.135 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.842 -4.611 -7.698 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.970 -3.065 -6.092 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.178 -4.495 -6.722 1.00 0.00 H new ATOM 790 N TYR A 57 -4.781 -6.243 -5.046 1.00 0.00 N ATOM 791 CA TYR A 57 -4.491 -7.569 -4.524 1.00 0.00 C ATOM 792 C TYR A 57 -5.779 -8.354 -4.260 1.00 0.00 C ATOM 793 O TYR A 57 -5.793 -9.584 -4.345 1.00 0.00 O ATOM 794 CB TYR A 57 -3.667 -7.467 -3.237 1.00 0.00 C ATOM 795 CG TYR A 57 -2.779 -8.668 -2.984 1.00 0.00 C ATOM 796 CD1 TYR A 57 -3.300 -9.850 -2.470 1.00 0.00 C ATOM 797 CD2 TYR A 57 -1.418 -8.614 -3.252 1.00 0.00 C ATOM 798 CE1 TYR A 57 -2.488 -10.943 -2.231 1.00 0.00 C ATOM 799 CE2 TYR A 57 -0.600 -9.703 -3.019 1.00 0.00 C ATOM 800 CZ TYR A 57 -1.140 -10.864 -2.508 1.00 0.00 C ATOM 801 OH TYR A 57 -0.328 -11.950 -2.268 1.00 0.00 O ATOM 0 H TYR A 57 -4.778 -5.504 -4.343 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.913 -8.105 -5.276 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.047 -6.572 -3.283 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.344 -7.343 -2.392 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.356 -9.915 -2.254 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.991 -7.705 -3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.907 -11.854 -1.830 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.456 -9.645 -3.236 1.00 0.00 H new ATOM 0 HH TYR A 57 0.594 -11.731 -2.518 1.00 0.00 H new ATOM 811 N GLY A 58 -6.855 -7.637 -3.933 1.00 0.00 N ATOM 812 CA GLY A 58 -8.129 -8.279 -3.652 1.00 0.00 C ATOM 813 C GLY A 58 -8.310 -8.576 -2.175 1.00 0.00 C ATOM 814 O GLY A 58 -8.840 -9.626 -1.807 1.00 0.00 O ATOM 0 H GLY A 58 -6.865 -6.620 -3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.940 -7.636 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.198 -9.208 -4.218 1.00 0.00 H new ATOM 818 N VAL A 59 -7.867 -7.647 -1.326 1.00 0.00 N ATOM 819 CA VAL A 59 -7.980 -7.808 0.120 1.00 0.00 C ATOM 820 C VAL A 59 -9.427 -7.618 0.573 1.00 0.00 C ATOM 821 O VAL A 59 -10.061 -6.617 0.236 1.00 0.00 O ATOM 822 CB VAL A 59 -7.076 -6.808 0.876 1.00 0.00 C ATOM 823 CG1 VAL A 59 -7.086 -7.097 2.370 1.00 0.00 C ATOM 824 CG2 VAL A 59 -5.654 -6.846 0.328 1.00 0.00 C ATOM 0 H VAL A 59 -7.426 -6.775 -1.618 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.653 -8.821 0.356 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.473 -5.805 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.443 -6.382 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.104 -7.009 2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.718 -8.108 2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.034 -6.135 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.245 -7.849 0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.664 -6.581 -0.729 1.00 0.00 H new ATOM 834 N PRO A 60 -9.973 -8.582 1.343 1.00 0.00 N ATOM 835 CA PRO A 60 -11.356 -8.513 1.834 1.00 0.00 C ATOM 836 C PRO A 60 -11.578 -7.347 2.800 1.00 0.00 C ATOM 837 O PRO A 60 -12.538 -6.590 2.655 1.00 0.00 O ATOM 838 CB PRO A 60 -11.558 -9.856 2.545 1.00 0.00 C ATOM 839 CG PRO A 60 -10.187 -10.336 2.876 1.00 0.00 C ATOM 840 CD PRO A 60 -9.289 -9.811 1.790 1.00 0.00 C ATOM 0 HA PRO A 60 -12.064 -8.341 1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.161 -9.738 3.445 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.079 -10.566 1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.871 -9.971 3.853 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.154 -11.425 2.917 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.287 -9.600 2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.180 -10.529 0.977 1.00 0.00 H new ATOM 848 N TYR A 61 -10.685 -7.208 3.782 1.00 0.00 N ATOM 849 CA TYR A 61 -10.782 -6.136 4.766 1.00 0.00 C ATOM 850 C TYR A 61 -9.392 -5.716 5.240 1.00 0.00 C ATOM 851 O TYR A 61 -8.486 -6.548 5.332 1.00 0.00 O ATOM 852 CB TYR A 61 -11.630 -6.584 5.959 1.00 0.00 C ATOM 853 CG TYR A 61 -11.992 -5.457 6.901 1.00 0.00 C ATOM 854 CD1 TYR A 61 -12.864 -4.452 6.506 1.00 0.00 C ATOM 855 CD2 TYR A 61 -11.458 -5.398 8.181 1.00 0.00 C ATOM 856 CE1 TYR A 61 -13.195 -3.419 7.363 1.00 0.00 C ATOM 857 CE2 TYR A 61 -11.784 -4.371 9.045 1.00 0.00 C ATOM 858 CZ TYR A 61 -12.653 -3.383 8.631 1.00 0.00 C ATOM 859 OH TYR A 61 -12.983 -2.355 9.486 1.00 0.00 O ATOM 0 H TYR A 61 -9.886 -7.828 3.914 1.00 0.00 H new ATOM 0 HA TYR A 61 -11.263 -5.279 4.294 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.546 -7.047 5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.087 -7.350 6.513 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.290 -4.477 5.514 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.775 -6.169 8.507 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -13.875 -2.644 7.041 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -11.361 -4.342 10.038 1.00 0.00 H new ATOM 0 HH TYR A 61 -12.518 -2.478 10.340 1.00 0.00 H new ATOM 869 N ILE A 62 -9.230 -4.428 5.541 1.00 0.00 N ATOM 870 CA ILE A 62 -7.948 -3.906 6.005 1.00 0.00 C ATOM 871 C ILE A 62 -7.807 -4.072 7.520 1.00 0.00 C ATOM 872 O ILE A 62 -8.541 -3.448 8.289 1.00 0.00 O ATOM 873 CB ILE A 62 -7.769 -2.414 5.638 1.00 0.00 C ATOM 874 CG1 ILE A 62 -8.060 -2.187 4.149 1.00 0.00 C ATOM 875 CG2 ILE A 62 -6.360 -1.948 5.979 1.00 0.00 C ATOM 876 CD1 ILE A 62 -8.271 -0.734 3.784 1.00 0.00 C ATOM 0 H ILE A 62 -9.970 -3.729 5.472 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.172 -4.483 5.502 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.479 -1.829 6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.232 -2.583 3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -8.948 -2.755 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.251 -0.896 5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.184 -2.074 7.047 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.636 -2.540 5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.472 -0.653 2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -9.118 -0.338 4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.375 -0.163 4.029 1.00 0.00 H new ATOM 888 N PRO A 63 -6.859 -4.923 7.967 1.00 0.00 N ATOM 889 CA PRO A 63 -6.626 -5.172 9.397 1.00 0.00 C ATOM 890 C PRO A 63 -5.969 -3.986 10.106 1.00 0.00 C ATOM 891 O PRO A 63 -5.389 -3.108 9.462 1.00 0.00 O ATOM 892 CB PRO A 63 -5.682 -6.378 9.394 1.00 0.00 C ATOM 893 CG PRO A 63 -4.962 -6.288 8.094 1.00 0.00 C ATOM 894 CD PRO A 63 -5.947 -5.710 7.114 1.00 0.00 C ATOM 0 HA PRO A 63 -7.560 -5.337 9.935 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.989 -6.341 10.234 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.234 -7.314 9.477 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.079 -5.654 8.180 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.619 -7.270 7.769 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.453 -5.085 6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.479 -6.491 6.571 1.00 0.00 H new ATOM 902 N GLU A 64 -6.063 -3.974 11.437 1.00 0.00 N ATOM 903 CA GLU A 64 -5.481 -2.901 12.243 1.00 0.00 C ATOM 904 C GLU A 64 -4.217 -3.369 12.978 1.00 0.00 C ATOM 905 O GLU A 64 -3.901 -2.875 14.063 1.00 0.00 O ATOM 906 CB GLU A 64 -6.514 -2.381 13.249 1.00 0.00 C ATOM 907 CG GLU A 64 -7.165 -1.071 12.833 1.00 0.00 C ATOM 908 CD GLU A 64 -8.664 -1.058 13.067 1.00 0.00 C ATOM 909 OE1 GLU A 64 -9.374 -1.858 12.423 1.00 0.00 O ATOM 910 OE2 GLU A 64 -9.127 -0.243 13.893 1.00 0.00 O ATOM 0 H GLU A 64 -6.537 -4.696 11.979 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.194 -2.094 11.569 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.289 -3.135 13.383 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.030 -2.245 14.216 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.708 -0.252 13.388 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.965 -0.891 11.777 1.00 0.00 H new ATOM 917 N GLY A 65 -3.492 -4.314 12.375 1.00 0.00 N ATOM 918 CA GLY A 65 -2.270 -4.822 12.981 1.00 0.00 C ATOM 919 C GLY A 65 -1.102 -4.824 12.011 1.00 0.00 C ATOM 920 O GLY A 65 -0.909 -3.862 11.266 1.00 0.00 O ATOM 0 H GLY A 65 -3.730 -4.736 11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.017 -4.213 13.849 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.441 -5.836 13.342 1.00 0.00 H new ATOM 924 N GLN A 66 -0.325 -5.907 12.019 1.00 0.00 N ATOM 925 CA GLN A 66 0.831 -6.029 11.133 1.00 0.00 C ATOM 926 C GLN A 66 0.454 -6.724 9.826 1.00 0.00 C ATOM 927 O GLN A 66 -0.445 -7.569 9.797 1.00 0.00 O ATOM 928 CB GLN A 66 1.955 -6.808 11.822 1.00 0.00 C ATOM 929 CG GLN A 66 3.186 -5.969 12.129 1.00 0.00 C ATOM 930 CD GLN A 66 4.052 -6.585 13.215 1.00 0.00 C ATOM 931 OE1 GLN A 66 4.289 -5.971 14.255 1.00 0.00 O ATOM 932 NE2 GLN A 66 4.526 -7.805 12.980 1.00 0.00 N ATOM 0 H GLN A 66 -0.475 -6.711 12.628 1.00 0.00 H new ATOM 0 HA GLN A 66 1.179 -5.022 10.904 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.574 -7.231 12.752 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.246 -7.645 11.187 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.777 -5.850 11.221 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.874 -4.972 12.439 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.305 -8.278 12.104 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.111 -8.268 13.676 1.00 0.00 H new ATOM 941 N TRP A 67 1.153 -6.368 8.749 1.00 0.00 N ATOM 942 CA TRP A 67 0.900 -6.962 7.440 1.00 0.00 C ATOM 943 C TRP A 67 2.125 -7.725 6.943 1.00 0.00 C ATOM 944 O TRP A 67 3.149 -7.121 6.617 1.00 0.00 O ATOM 945 CB TRP A 67 0.504 -5.885 6.423 1.00 0.00 C ATOM 946 CG TRP A 67 -0.239 -6.434 5.239 1.00 0.00 C ATOM 947 CD1 TRP A 67 -1.203 -7.401 5.257 1.00 0.00 C ATOM 948 CD2 TRP A 67 -0.076 -6.056 3.865 1.00 0.00 C ATOM 949 NE1 TRP A 67 -1.649 -7.648 3.983 1.00 0.00 N ATOM 950 CE2 TRP A 67 -0.975 -6.833 3.111 1.00 0.00 C ATOM 951 CE3 TRP A 67 0.739 -5.134 3.200 1.00 0.00 C ATOM 952 CZ2 TRP A 67 -1.080 -6.717 1.726 1.00 0.00 C ATOM 953 CZ3 TRP A 67 0.633 -5.021 1.825 1.00 0.00 C ATOM 954 CH2 TRP A 67 -0.271 -5.808 1.102 1.00 0.00 C ATOM 0 H TRP A 67 1.898 -5.672 8.759 1.00 0.00 H new ATOM 0 HA TRP A 67 0.073 -7.664 7.546 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.116 -5.137 6.918 1.00 0.00 H new ATOM 0 HB3 TRP A 67 1.402 -5.375 6.075 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -1.562 -7.899 6.145 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.365 -8.327 3.727 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.438 -4.521 3.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -1.776 -7.324 1.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.258 -4.314 1.301 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -0.331 -5.695 0.030 1.00 0.00 H new ATOM 965 N LEU A 68 2.007 -9.052 6.881 1.00 0.00 N ATOM 966 CA LEU A 68 3.098 -9.905 6.412 1.00 0.00 C ATOM 967 C LEU A 68 2.677 -10.645 5.147 1.00 0.00 C ATOM 968 O LEU A 68 1.890 -11.591 5.213 1.00 0.00 O ATOM 969 CB LEU A 68 3.509 -10.937 7.478 1.00 0.00 C ATOM 970 CG LEU A 68 4.311 -10.409 8.679 1.00 0.00 C ATOM 971 CD1 LEU A 68 5.772 -10.209 8.302 1.00 0.00 C ATOM 972 CD2 LEU A 68 3.718 -9.116 9.220 1.00 0.00 C ATOM 0 H LEU A 68 1.164 -9.560 7.151 1.00 0.00 H new ATOM 0 HA LEU A 68 3.951 -9.259 6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.605 -11.414 7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.099 -11.713 6.990 1.00 0.00 H new ATOM 0 HG LEU A 68 4.254 -11.157 9.469 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.323 -9.835 9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.199 -11.160 7.983 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.842 -9.489 7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.310 -8.771 10.068 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.727 -8.356 8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.692 -9.293 9.542 1.00 0.00 H new ATOM 984 N CYS A 69 3.201 -10.215 4.003 1.00 0.00 N ATOM 985 CA CYS A 69 2.880 -10.848 2.729 1.00 0.00 C ATOM 986 C CYS A 69 3.229 -12.337 2.761 1.00 0.00 C ATOM 987 O CYS A 69 3.968 -12.795 3.634 1.00 0.00 O ATOM 988 CB CYS A 69 3.607 -10.147 1.574 1.00 0.00 C ATOM 989 SG CYS A 69 5.426 -10.266 1.632 1.00 0.00 S ATOM 0 H CYS A 69 3.850 -9.431 3.933 1.00 0.00 H new ATOM 0 HA CYS A 69 1.807 -10.752 2.564 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.259 -10.572 0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.326 -9.094 1.572 1.00 0.00 H new ATOM 994 N ARG A 70 2.674 -13.087 1.816 1.00 0.00 N ATOM 995 CA ARG A 70 2.896 -14.532 1.733 1.00 0.00 C ATOM 996 C ARG A 70 4.380 -14.916 1.736 1.00 0.00 C ATOM 997 O ARG A 70 4.721 -16.040 2.102 1.00 0.00 O ATOM 998 CB ARG A 70 2.228 -15.092 0.474 1.00 0.00 C ATOM 999 CG ARG A 70 1.725 -16.520 0.629 1.00 0.00 C ATOM 1000 CD ARG A 70 0.407 -16.573 1.392 1.00 0.00 C ATOM 1001 NE ARG A 70 -0.705 -16.016 0.620 1.00 0.00 N ATOM 1002 CZ ARG A 70 -1.278 -16.630 -0.421 1.00 0.00 C ATOM 1003 NH1 ARG A 70 -0.848 -17.825 -0.821 1.00 0.00 N ATOM 1004 NH2 ARG A 70 -2.286 -16.049 -1.062 1.00 0.00 N ATOM 0 H ARG A 70 2.061 -12.717 1.089 1.00 0.00 H new ATOM 0 HA ARG A 70 2.450 -14.966 2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.391 -14.449 0.202 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.940 -15.055 -0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.594 -16.969 -0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.473 -17.115 1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.183 -17.607 1.654 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.509 -16.022 2.327 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.066 -15.102 0.893 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.076 -18.279 -0.333 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.290 -18.286 -1.616 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.623 -15.135 -0.760 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.723 -16.517 -1.856 1.00 0.00 H new ATOM 1018 N HIS A 71 5.264 -13.998 1.336 1.00 0.00 N ATOM 1019 CA HIS A 71 6.691 -14.293 1.302 1.00 0.00 C ATOM 1020 C HIS A 71 7.280 -14.312 2.702 1.00 0.00 C ATOM 1021 O HIS A 71 8.049 -15.208 3.049 1.00 0.00 O ATOM 1022 CB HIS A 71 7.430 -13.264 0.440 1.00 0.00 C ATOM 1023 CG HIS A 71 7.768 -13.760 -0.931 1.00 0.00 C ATOM 1024 ND1 HIS A 71 9.045 -13.726 -1.452 1.00 0.00 N ATOM 1025 CD2 HIS A 71 6.986 -14.307 -1.892 1.00 0.00 C ATOM 1026 CE1 HIS A 71 9.034 -14.231 -2.674 1.00 0.00 C ATOM 1027 NE2 HIS A 71 7.797 -14.591 -2.963 1.00 0.00 N ATOM 0 H HIS A 71 5.016 -13.055 1.035 1.00 0.00 H new ATOM 0 HA HIS A 71 6.816 -15.283 0.863 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.815 -12.368 0.351 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.349 -12.971 0.948 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.923 -14.486 -1.828 1.00 0.00 H new ATOM 0 HE1 HIS A 71 9.890 -14.332 -3.324 1.00 0.00 H new ATOM 0 HE2 HIS A 71 7.493 -15.012 -3.841 1.00 0.00 H new ATOM 1036 N CYS A 72 6.921 -13.314 3.499 1.00 0.00 N ATOM 1037 CA CYS A 72 7.426 -13.214 4.856 1.00 0.00 C ATOM 1038 C CYS A 72 6.641 -14.090 5.823 1.00 0.00 C ATOM 1039 O CYS A 72 7.236 -14.816 6.622 1.00 0.00 O ATOM 1040 CB CYS A 72 7.419 -11.768 5.307 1.00 0.00 C ATOM 1041 SG CYS A 72 5.805 -10.949 5.199 1.00 0.00 S ATOM 0 H CYS A 72 6.284 -12.566 3.227 1.00 0.00 H new ATOM 0 HA CYS A 72 8.452 -13.581 4.859 1.00 0.00 H new ATOM 0 HB2 CYS A 72 7.766 -11.722 6.339 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.136 -11.210 4.704 1.00 0.00 H new ATOM 1046 N LEU A 73 5.308 -14.034 5.749 1.00 0.00 N ATOM 1047 CA LEU A 73 4.471 -14.852 6.624 1.00 0.00 C ATOM 1048 C LEU A 73 4.802 -16.332 6.431 1.00 0.00 C ATOM 1049 O LEU A 73 4.611 -17.142 7.338 1.00 0.00 O ATOM 1050 CB LEU A 73 2.980 -14.592 6.372 1.00 0.00 C ATOM 1051 CG LEU A 73 2.414 -15.163 5.065 1.00 0.00 C ATOM 1052 CD1 LEU A 73 2.099 -16.645 5.211 1.00 0.00 C ATOM 1053 CD2 LEU A 73 1.170 -14.391 4.649 1.00 0.00 C ATOM 0 H LEU A 73 4.793 -13.438 5.101 1.00 0.00 H new ATOM 0 HA LEU A 73 4.683 -14.575 7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.412 -15.008 7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.812 -13.515 6.379 1.00 0.00 H new ATOM 0 HG LEU A 73 3.170 -15.054 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.699 -17.026 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.010 -17.187 5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.362 -16.784 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.778 -14.806 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.414 -14.471 5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.426 -13.342 4.498 1.00 0.00 H new ATOM 1065 N GLN A 74 5.324 -16.668 5.246 1.00 0.00 N ATOM 1066 CA GLN A 74 5.711 -18.041 4.946 1.00 0.00 C ATOM 1067 C GLN A 74 7.108 -18.321 5.499 1.00 0.00 C ATOM 1068 O GLN A 74 7.385 -19.418 5.987 1.00 0.00 O ATOM 1069 CB GLN A 74 5.680 -18.296 3.437 1.00 0.00 C ATOM 1070 CG GLN A 74 6.014 -19.729 3.049 1.00 0.00 C ATOM 1071 CD GLN A 74 4.814 -20.479 2.508 1.00 0.00 C ATOM 1072 OE1 GLN A 74 4.771 -20.844 1.333 1.00 0.00 O ATOM 1073 NE2 GLN A 74 3.825 -20.715 3.366 1.00 0.00 N ATOM 0 H GLN A 74 5.486 -16.008 4.486 1.00 0.00 H new ATOM 0 HA GLN A 74 4.997 -18.714 5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.689 -18.048 3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.386 -17.624 2.950 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.804 -19.724 2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.405 -20.256 3.919 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.900 -20.395 4.332 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.991 -21.216 3.058 1.00 0.00 H new ATOM 1082 N SER A 75 7.982 -17.310 5.427 1.00 0.00 N ATOM 1083 CA SER A 75 9.352 -17.423 5.928 1.00 0.00 C ATOM 1084 C SER A 75 9.366 -17.777 7.417 1.00 0.00 C ATOM 1085 O SER A 75 10.270 -18.467 7.886 1.00 0.00 O ATOM 1086 CB SER A 75 10.113 -16.114 5.699 1.00 0.00 C ATOM 1087 OG SER A 75 10.586 -16.022 4.364 1.00 0.00 O ATOM 0 H SER A 75 7.760 -16.400 5.023 1.00 0.00 H new ATOM 0 HA SER A 75 9.844 -18.225 5.378 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.460 -15.268 5.915 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.953 -16.053 6.390 1.00 0.00 H new ATOM 0 HG SER A 75 9.847 -15.771 3.772 1.00 0.00 H new ATOM 1093 N ARG A 76 8.357 -17.301 8.153 1.00 0.00 N ATOM 1094 CA ARG A 76 8.251 -17.575 9.586 1.00 0.00 C ATOM 1095 C ARG A 76 7.516 -18.895 9.837 1.00 0.00 C ATOM 1096 O ARG A 76 7.830 -19.615 10.786 1.00 0.00 O ATOM 1097 CB ARG A 76 7.524 -16.431 10.298 1.00 0.00 C ATOM 1098 CG ARG A 76 7.514 -16.569 11.815 1.00 0.00 C ATOM 1099 CD ARG A 76 6.106 -16.780 12.352 1.00 0.00 C ATOM 1100 NE ARG A 76 5.213 -15.666 12.022 1.00 0.00 N ATOM 1101 CZ ARG A 76 3.926 -15.610 12.376 1.00 0.00 C ATOM 1102 NH1 ARG A 76 3.379 -16.593 13.088 1.00 0.00 N ATOM 1103 NH2 ARG A 76 3.184 -14.568 12.021 1.00 0.00 N ATOM 0 H ARG A 76 7.603 -16.725 7.779 1.00 0.00 H new ATOM 0 HA ARG A 76 9.261 -17.658 9.987 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.998 -15.487 10.030 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.496 -16.385 9.938 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.145 -17.408 12.108 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.945 -15.674 12.265 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.698 -17.704 11.942 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.147 -16.902 13.434 1.00 0.00 H new ATOM 0 HE ARG A 76 5.598 -14.886 11.489 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.943 -17.396 13.367 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.396 -16.543 13.355 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.596 -13.810 11.478 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.201 -14.526 12.292 1.00 0.00 H new ATOM 1117 N ALA A 77 6.540 -19.205 8.981 1.00 0.00 N ATOM 1118 CA ALA A 77 5.763 -20.437 9.105 1.00 0.00 C ATOM 1119 C ALA A 77 6.630 -21.672 8.849 1.00 0.00 C ATOM 1120 O ALA A 77 6.402 -22.728 9.439 1.00 0.00 O ATOM 1121 CB ALA A 77 4.578 -20.417 8.144 1.00 0.00 C ATOM 0 H ALA A 77 6.269 -18.617 8.193 1.00 0.00 H new ATOM 0 HA ALA A 77 5.390 -20.494 10.128 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.009 -21.341 8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.936 -19.567 8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.941 -20.328 7.120 1.00 0.00 H new ATOM 1127 N ARG A 78 7.622 -21.534 7.963 1.00 0.00 N ATOM 1128 CA ARG A 78 8.518 -22.644 7.631 1.00 0.00 C ATOM 1129 C ARG A 78 9.227 -23.187 8.876 1.00 0.00 C ATOM 1130 O ARG A 78 9.069 -24.360 9.216 1.00 0.00 O ATOM 1131 CB ARG A 78 9.551 -22.215 6.581 1.00 0.00 C ATOM 1132 CG ARG A 78 9.256 -22.740 5.186 1.00 0.00 C ATOM 1133 CD ARG A 78 10.250 -23.816 4.770 1.00 0.00 C ATOM 1134 NE ARG A 78 11.530 -23.249 4.336 1.00 0.00 N ATOM 1135 CZ ARG A 78 11.714 -22.614 3.174 1.00 0.00 C ATOM 1136 NH1 ARG A 78 10.704 -22.453 2.324 1.00 0.00 N ATOM 1137 NH2 ARG A 78 12.916 -22.139 2.863 1.00 0.00 N ATOM 0 H ARG A 78 7.823 -20.667 7.465 1.00 0.00 H new ATOM 0 HA ARG A 78 7.904 -23.443 7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.593 -21.126 6.549 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.537 -22.563 6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.245 -23.147 5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.290 -21.917 4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.420 -24.494 5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.824 -24.409 3.960 1.00 0.00 H new ATOM 0 HE ARG A 78 12.331 -23.345 4.960 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.779 -22.815 2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.854 -21.967 1.440 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.695 -22.259 3.510 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.059 -21.654 1.977 1.00 0.00 H new ATOM 1151 N PRO A 79 10.015 -22.344 9.578 1.00 0.00 N ATOM 1152 CA PRO A 79 10.735 -22.760 10.787 1.00 0.00 C ATOM 1153 C PRO A 79 9.808 -22.903 11.996 1.00 0.00 C ATOM 1154 O PRO A 79 9.918 -22.156 12.971 1.00 0.00 O ATOM 1155 CB PRO A 79 11.736 -21.623 11.002 1.00 0.00 C ATOM 1156 CG PRO A 79 11.065 -20.426 10.426 1.00 0.00 C ATOM 1157 CD PRO A 79 10.264 -20.925 9.253 1.00 0.00 C ATOM 0 HA PRO A 79 11.199 -23.740 10.675 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.958 -21.484 12.060 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.683 -21.827 10.502 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.421 -19.947 11.163 1.00 0.00 H new ATOM 0 HG3 PRO A 79 11.797 -19.682 10.111 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.332 -20.371 9.139 1.00 0.00 H new ATOM 0 HD3 PRO A 79 10.814 -20.819 8.318 1.00 0.00 H new ATOM 1165 N ALA A 80 8.891 -23.867 11.922 1.00 0.00 N ATOM 1166 CA ALA A 80 7.940 -24.110 13.000 1.00 0.00 C ATOM 1167 C ALA A 80 8.409 -25.250 13.899 1.00 0.00 C ATOM 1168 O ALA A 80 9.164 -25.036 14.846 1.00 0.00 O ATOM 1169 CB ALA A 80 6.565 -24.419 12.427 1.00 0.00 C ATOM 0 H ALA A 80 8.789 -24.493 11.123 1.00 0.00 H new ATOM 0 HA ALA A 80 7.876 -23.207 13.607 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.863 -24.599 13.242 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.221 -23.574 11.831 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.624 -25.306 11.797 1.00 0.00 H new TER 1175 ALA A 80 HETATM 1176 ZN ZN A 89 -2.375 -1.213 -8.200 1.00 1.00 ZN HETATM 1177 ZN ZN A 90 6.214 -9.370 3.595 1.00 1.00 ZN