USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 637 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.222 (180deg=-0.283) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 45:sc= 0.535 USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.708 F(o=-2.3,f=-0.71) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0238 USER MOD Single : A 19 CYS SG : rot 162:sc= -2.23 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -146:sc= -0.675 (180deg=-1.34) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -7.74! C(o=-7.7!,f=-16!) USER MOD Single : A 33 MET CE :methyl -176:sc= -10.9! (180deg=-11!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -77:sc= -5.04! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 56 CYS SG : rot -99:sc= -14.4! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -151:sc= -0.0145 (180deg=-1.16) USER MOD Single : A 61 HIS : no HE2:sc= -9.54! C(o=-9.5!,f=-14!) USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0213) USER MOD Single : A 68 THR OG1 : rot 70:sc= 0.428 USER MOD Single : A 73 TYR OH : rot 174:sc= -0.267 USER MOD Single : A 75 TYR OH : rot -177:sc= -11! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.341 8.790 -3.156 1.00 0.00 N ATOM 2 CA MET A 1 -18.974 9.611 -1.966 1.00 0.00 C ATOM 3 C MET A 1 -18.388 8.705 -0.881 1.00 0.00 C ATOM 4 O MET A 1 -17.809 9.168 0.081 1.00 0.00 O ATOM 5 CB MET A 1 -20.221 10.312 -1.425 1.00 0.00 C ATOM 6 CG MET A 1 -21.167 9.275 -0.817 1.00 0.00 C ATOM 7 SD MET A 1 -22.768 9.350 -1.658 1.00 0.00 S ATOM 8 CE MET A 1 -23.258 7.633 -1.365 1.00 0.00 C ATOM 0 H1 MET A 1 -19.692 9.412 -3.912 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.504 8.274 -3.493 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.084 8.111 -2.894 1.00 0.00 H new ATOM 0 HA MET A 1 -18.234 10.357 -2.255 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.939 11.048 -0.672 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.724 10.852 -2.227 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.740 8.277 -0.914 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.295 9.465 0.249 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.238 7.453 -1.808 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.527 6.964 -1.818 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.305 7.446 -0.292 1.00 0.00 H new ATOM 20 N THR A 2 -18.535 7.416 -1.028 1.00 0.00 N ATOM 21 CA THR A 2 -17.987 6.483 -0.004 1.00 0.00 C ATOM 22 C THR A 2 -16.473 6.354 -0.190 1.00 0.00 C ATOM 23 O THR A 2 -15.996 6.000 -1.249 1.00 0.00 O ATOM 24 CB THR A 2 -18.639 5.108 -0.166 1.00 0.00 C ATOM 25 OG1 THR A 2 -20.051 5.260 -0.219 1.00 0.00 O ATOM 26 CG2 THR A 2 -18.264 4.220 1.021 1.00 0.00 C ATOM 0 H THR A 2 -19.010 6.970 -1.812 1.00 0.00 H new ATOM 0 HA THR A 2 -18.199 6.871 0.992 1.00 0.00 H new ATOM 0 HB THR A 2 -18.287 4.645 -1.088 1.00 0.00 H new ATOM 0 HG1 THR A 2 -20.471 4.381 -0.324 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.729 3.241 0.904 1.00 0.00 H new ATOM 0 HG22 THR A 2 -17.181 4.105 1.061 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.614 4.680 1.945 1.00 0.00 H new ATOM 34 N ASP A 3 -15.714 6.637 0.833 1.00 0.00 N ATOM 35 CA ASP A 3 -14.234 6.530 0.713 1.00 0.00 C ATOM 36 C ASP A 3 -13.826 5.056 0.715 1.00 0.00 C ATOM 37 O ASP A 3 -14.336 4.262 1.480 1.00 0.00 O ATOM 38 CB ASP A 3 -13.572 7.244 1.895 1.00 0.00 C ATOM 39 CG ASP A 3 -12.742 8.420 1.380 1.00 0.00 C ATOM 40 OD1 ASP A 3 -13.181 9.063 0.439 1.00 0.00 O ATOM 41 OD2 ASP A 3 -11.682 8.660 1.933 1.00 0.00 O ATOM 0 H ASP A 3 -16.055 6.937 1.746 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.912 6.995 -0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.332 7.599 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.936 6.549 2.444 1.00 0.00 H new ATOM 46 N LEU A 4 -12.909 4.684 -0.135 1.00 0.00 N ATOM 47 CA LEU A 4 -12.467 3.261 -0.180 1.00 0.00 C ATOM 48 C LEU A 4 -11.408 3.021 0.899 1.00 0.00 C ATOM 49 O LEU A 4 -11.009 1.901 1.152 1.00 0.00 O ATOM 50 CB LEU A 4 -11.874 2.957 -1.557 1.00 0.00 C ATOM 51 CG LEU A 4 -13.007 2.721 -2.557 1.00 0.00 C ATOM 52 CD1 LEU A 4 -12.469 2.867 -3.982 1.00 0.00 C ATOM 53 CD2 LEU A 4 -13.567 1.309 -2.367 1.00 0.00 C ATOM 0 H LEU A 4 -12.447 5.303 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.321 2.608 0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.249 3.787 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.233 2.077 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.797 3.453 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.276 2.699 -4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.068 3.871 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.679 2.135 -4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.375 1.139 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.776 0.578 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.950 1.203 -1.352 1.00 0.00 H new ATOM 65 N PHE A 5 -10.953 4.063 1.541 1.00 0.00 N ATOM 66 CA PHE A 5 -9.924 3.896 2.604 1.00 0.00 C ATOM 67 C PHE A 5 -10.605 3.594 3.938 1.00 0.00 C ATOM 68 O PHE A 5 -10.003 3.709 4.987 1.00 0.00 O ATOM 69 CB PHE A 5 -9.104 5.178 2.731 1.00 0.00 C ATOM 70 CG PHE A 5 -7.898 5.105 1.823 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.886 4.239 0.724 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.789 5.906 2.082 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.762 4.185 -0.108 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.676 5.849 1.239 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.658 4.994 0.149 1.00 0.00 C ATOM 0 H PHE A 5 -11.251 5.024 1.374 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.266 3.069 2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.717 6.040 2.469 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.785 5.316 3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.742 3.614 0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.789 6.571 2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.751 3.513 -0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.821 6.478 1.439 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.793 4.955 -0.497 1.00 0.00 H new ATOM 85 N SER A 6 -11.853 3.211 3.907 1.00 0.00 N ATOM 86 CA SER A 6 -12.566 2.897 5.177 1.00 0.00 C ATOM 87 C SER A 6 -11.669 2.017 6.049 1.00 0.00 C ATOM 88 O SER A 6 -10.603 1.605 5.638 1.00 0.00 O ATOM 89 CB SER A 6 -13.866 2.153 4.866 1.00 0.00 C ATOM 90 OG SER A 6 -14.666 2.947 4.000 1.00 0.00 O ATOM 0 H SER A 6 -12.408 3.102 3.058 1.00 0.00 H new ATOM 0 HA SER A 6 -12.800 3.822 5.705 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.646 1.193 4.399 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.407 1.942 5.788 1.00 0.00 H new ATOM 0 HG SER A 6 -15.499 2.472 3.797 1.00 0.00 H new ATOM 96 N SER A 7 -12.083 1.719 7.249 1.00 0.00 N ATOM 97 CA SER A 7 -11.233 0.872 8.130 1.00 0.00 C ATOM 98 C SER A 7 -10.730 -0.335 7.330 1.00 0.00 C ATOM 99 O SER A 7 -11.475 -1.260 7.074 1.00 0.00 O ATOM 100 CB SER A 7 -12.065 0.381 9.315 1.00 0.00 C ATOM 101 OG SER A 7 -13.292 -0.155 8.836 1.00 0.00 O ATOM 0 H SER A 7 -12.968 2.023 7.656 1.00 0.00 H new ATOM 0 HA SER A 7 -10.386 1.453 8.495 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.515 -0.379 9.871 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.258 1.203 10.004 1.00 0.00 H new ATOM 0 HG SER A 7 -13.118 -0.726 8.059 1.00 0.00 H new ATOM 107 N PRO A 8 -9.473 -0.285 6.948 1.00 0.00 N ATOM 108 CA PRO A 8 -8.840 -1.359 6.165 1.00 0.00 C ATOM 109 C PRO A 8 -8.551 -2.567 7.055 1.00 0.00 C ATOM 110 O PRO A 8 -8.575 -2.480 8.266 1.00 0.00 O ATOM 111 CB PRO A 8 -7.548 -0.722 5.650 1.00 0.00 C ATOM 112 CG PRO A 8 -7.234 0.456 6.601 1.00 0.00 C ATOM 113 CD PRO A 8 -8.565 0.836 7.278 1.00 0.00 C ATOM 0 HA PRO A 8 -9.469 -1.729 5.355 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.733 -1.446 5.646 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.669 -0.372 4.625 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.489 0.168 7.343 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.824 1.302 6.049 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.446 0.948 8.356 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.948 1.784 6.899 1.00 0.00 H new ATOM 121 N ASP A 9 -8.277 -3.695 6.463 1.00 0.00 N ATOM 122 CA ASP A 9 -7.986 -4.909 7.275 1.00 0.00 C ATOM 123 C ASP A 9 -6.545 -4.846 7.781 1.00 0.00 C ATOM 124 O ASP A 9 -6.196 -5.461 8.769 1.00 0.00 O ATOM 125 CB ASP A 9 -8.172 -6.159 6.412 1.00 0.00 C ATOM 126 CG ASP A 9 -9.642 -6.289 6.008 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.490 -5.926 6.808 1.00 0.00 O ATOM 128 OD2 ASP A 9 -9.896 -6.749 4.908 1.00 0.00 O ATOM 0 H ASP A 9 -8.242 -3.829 5.452 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.669 -4.952 8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.544 -6.096 5.523 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.856 -7.044 6.964 1.00 0.00 H new ATOM 133 N HIS A 10 -5.702 -4.113 7.107 1.00 0.00 N ATOM 134 CA HIS A 10 -4.284 -4.018 7.543 1.00 0.00 C ATOM 135 C HIS A 10 -3.762 -2.607 7.273 1.00 0.00 C ATOM 136 O HIS A 10 -4.441 -1.795 6.690 1.00 0.00 O ATOM 137 CB HIS A 10 -3.459 -5.021 6.743 1.00 0.00 C ATOM 138 CG HIS A 10 -3.604 -6.386 7.352 1.00 0.00 C ATOM 139 ND1 HIS A 10 -4.660 -7.263 7.387 1.00 0.00 N flip ATOM 140 CD2 HIS A 10 -2.572 -7.008 8.035 1.00 0.00 C flip ATOM 141 CE1 HIS A 10 -4.292 -8.412 8.081 1.00 0.00 C flip ATOM 142 NE2 HIS A 10 -3.024 -8.206 8.449 1.00 0.00 N flip ATOM 0 H HIS A 10 -5.936 -3.576 6.272 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.207 -4.234 8.609 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.792 -5.037 5.705 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.411 -4.723 6.737 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.584 -6.605 8.204 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.900 -9.282 8.279 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.466 -8.876 8.979 1.00 0.00 H new ATOM 150 N THR A 11 -2.561 -2.306 7.695 1.00 0.00 N ATOM 151 CA THR A 11 -2.005 -0.948 7.449 1.00 0.00 C ATOM 152 C THR A 11 -0.494 -1.050 7.217 1.00 0.00 C ATOM 153 O THR A 11 0.135 -2.026 7.576 1.00 0.00 O ATOM 154 CB THR A 11 -2.259 -0.075 8.669 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.647 -0.077 8.974 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.793 1.356 8.387 1.00 0.00 C ATOM 0 H THR A 11 -1.944 -2.943 8.199 1.00 0.00 H new ATOM 0 HA THR A 11 -2.484 -0.512 6.572 1.00 0.00 H new ATOM 0 HB THR A 11 -1.702 -0.471 9.518 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.810 0.484 9.761 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.977 1.978 9.263 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.727 1.354 8.161 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.343 1.757 7.536 1.00 0.00 H new ATOM 164 N LEU A 12 0.093 -0.042 6.635 1.00 0.00 N ATOM 165 CA LEU A 12 1.567 -0.068 6.397 1.00 0.00 C ATOM 166 C LEU A 12 2.127 1.345 6.472 1.00 0.00 C ATOM 167 O LEU A 12 1.951 2.131 5.570 1.00 0.00 O ATOM 168 CB LEU A 12 1.871 -0.615 5.002 1.00 0.00 C ATOM 169 CG LEU A 12 3.336 -0.289 4.614 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.254 -0.522 5.817 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.779 -1.208 3.483 1.00 0.00 C ATOM 0 H LEU A 12 -0.383 0.801 6.313 1.00 0.00 H new ATOM 0 HA LEU A 12 2.021 -0.703 7.157 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.712 -1.693 4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.187 -0.178 4.274 1.00 0.00 H new ATOM 0 HG LEU A 12 3.395 0.752 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.283 -0.292 5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.947 0.124 6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.187 -1.564 6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.809 -0.979 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.713 -2.246 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.133 -1.058 2.618 1.00 0.00 H new ATOM 183 N ASP A 13 2.848 1.659 7.501 1.00 0.00 N ATOM 184 CA ASP A 13 3.453 3.012 7.569 1.00 0.00 C ATOM 185 C ASP A 13 4.626 3.028 6.592 1.00 0.00 C ATOM 186 O ASP A 13 5.388 2.084 6.524 1.00 0.00 O ATOM 187 CB ASP A 13 3.954 3.288 8.988 1.00 0.00 C ATOM 188 CG ASP A 13 4.361 4.759 9.108 1.00 0.00 C ATOM 189 OD1 ASP A 13 3.539 5.607 8.807 1.00 0.00 O ATOM 190 OD2 ASP A 13 5.489 5.009 9.500 1.00 0.00 O ATOM 0 H ASP A 13 3.045 1.046 8.292 1.00 0.00 H new ATOM 0 HA ASP A 13 2.722 3.778 7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.174 3.055 9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.804 2.645 9.217 1.00 0.00 H new ATOM 195 N ALA A 14 4.803 4.075 5.839 1.00 0.00 N ATOM 196 CA ALA A 14 5.953 4.089 4.897 1.00 0.00 C ATOM 197 C ALA A 14 6.519 5.508 4.864 1.00 0.00 C ATOM 198 O ALA A 14 7.272 5.927 3.983 1.00 0.00 O ATOM 199 CB ALA A 14 5.513 3.591 3.529 1.00 0.00 C ATOM 0 H ALA A 14 4.213 4.907 5.833 1.00 0.00 H new ATOM 0 HA ALA A 14 6.743 3.414 5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.362 3.605 2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.135 2.572 3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.726 4.238 3.142 1.00 0.00 H new ATOM 205 N LEU A 15 6.169 6.227 5.884 1.00 0.00 N ATOM 206 CA LEU A 15 6.663 7.591 6.079 1.00 0.00 C ATOM 207 C LEU A 15 8.037 7.458 6.702 1.00 0.00 C ATOM 208 O LEU A 15 8.192 7.080 7.847 1.00 0.00 O ATOM 209 CB LEU A 15 5.733 8.326 7.013 1.00 0.00 C ATOM 210 CG LEU A 15 4.295 7.850 6.796 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.337 8.715 7.608 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.946 7.962 5.313 1.00 0.00 C ATOM 0 H LEU A 15 5.535 5.903 6.614 1.00 0.00 H new ATOM 0 HA LEU A 15 6.712 8.147 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.031 8.153 8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.801 9.400 6.837 1.00 0.00 H new ATOM 0 HG LEU A 15 4.204 6.813 7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.314 8.372 7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.586 8.639 8.666 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.425 9.753 7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.922 7.624 5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.039 9.000 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.628 7.342 4.731 1.00 0.00 H new ATOM 224 N GLY A 16 9.029 7.699 5.927 1.00 0.00 N ATOM 225 CA GLY A 16 10.419 7.520 6.409 1.00 0.00 C ATOM 226 C GLY A 16 10.902 6.167 5.878 1.00 0.00 C ATOM 227 O GLY A 16 12.047 5.791 6.033 1.00 0.00 O ATOM 0 H GLY A 16 8.945 8.018 4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.059 8.326 6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.456 7.543 7.498 1.00 0.00 H new ATOM 231 N LEU A 17 10.019 5.447 5.221 1.00 0.00 N ATOM 232 CA LEU A 17 10.379 4.138 4.638 1.00 0.00 C ATOM 233 C LEU A 17 10.751 4.377 3.205 1.00 0.00 C ATOM 234 O LEU A 17 10.215 5.247 2.560 1.00 0.00 O ATOM 235 CB LEU A 17 9.173 3.205 4.641 1.00 0.00 C ATOM 236 CG LEU A 17 8.795 2.796 6.055 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.173 1.407 5.995 1.00 0.00 C ATOM 238 CD2 LEU A 17 10.027 2.739 6.941 1.00 0.00 C ATOM 0 H LEU A 17 9.050 5.728 5.069 1.00 0.00 H new ATOM 0 HA LEU A 17 11.189 3.691 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.327 3.700 4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.396 2.316 4.051 1.00 0.00 H new ATOM 0 HG LEU A 17 8.097 3.524 6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.893 1.090 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.286 1.433 5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.895 0.703 5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.737 2.445 7.949 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.731 2.011 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.499 3.721 6.972 1.00 0.00 H new ATOM 250 N ARG A 18 11.636 3.618 2.682 1.00 0.00 N ATOM 251 CA ARG A 18 11.983 3.840 1.271 1.00 0.00 C ATOM 252 C ARG A 18 12.242 2.512 0.601 1.00 0.00 C ATOM 253 O ARG A 18 12.722 1.581 1.211 1.00 0.00 O ATOM 254 CB ARG A 18 13.188 4.749 1.184 1.00 0.00 C ATOM 255 CG ARG A 18 14.194 4.384 2.276 1.00 0.00 C ATOM 256 CD ARG A 18 14.135 5.431 3.392 1.00 0.00 C ATOM 257 NE ARG A 18 15.495 5.623 3.967 1.00 0.00 N ATOM 258 CZ ARG A 18 16.122 4.617 4.513 1.00 0.00 C ATOM 259 NH1 ARG A 18 16.866 3.836 3.779 1.00 0.00 N ATOM 260 NH2 ARG A 18 16.004 4.393 5.794 1.00 0.00 N ATOM 0 H ARG A 18 12.132 2.863 3.155 1.00 0.00 H new ATOM 0 HA ARG A 18 11.156 4.325 0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.654 4.657 0.203 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.879 5.789 1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.969 3.396 2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.200 4.338 1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.758 6.375 2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.442 5.110 4.170 1.00 0.00 H new ATOM 0 HE ARG A 18 15.937 6.542 3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.958 4.012 2.778 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.356 3.050 4.206 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.422 5.004 6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.494 3.607 6.222 1.00 0.00 H new ATOM 274 N CYS A 19 11.926 2.412 -0.642 1.00 0.00 N ATOM 275 CA CYS A 19 12.142 1.120 -1.347 1.00 0.00 C ATOM 276 C CYS A 19 13.541 0.617 -1.026 1.00 0.00 C ATOM 277 O CYS A 19 14.472 1.395 -0.953 1.00 0.00 O ATOM 278 CB CYS A 19 11.995 1.330 -2.850 1.00 0.00 C ATOM 279 SG CYS A 19 12.618 -0.118 -3.742 1.00 0.00 S ATOM 0 H CYS A 19 11.528 3.161 -1.209 1.00 0.00 H new ATOM 0 HA CYS A 19 11.405 0.386 -1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 19 10.948 1.499 -3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.544 2.220 -3.157 1.00 0.00 H new ATOM 0 HG CYS A 19 12.148 -0.116 -4.954 1.00 0.00 H new ATOM 285 N PRO A 20 13.660 -0.673 -0.853 1.00 0.00 N ATOM 286 CA PRO A 20 12.536 -1.639 -0.937 1.00 0.00 C ATOM 287 C PRO A 20 11.838 -1.819 0.426 1.00 0.00 C ATOM 288 O PRO A 20 10.993 -2.668 0.582 1.00 0.00 O ATOM 289 CB PRO A 20 13.241 -2.947 -1.289 1.00 0.00 C ATOM 290 CG PRO A 20 14.697 -2.801 -0.780 1.00 0.00 C ATOM 291 CD PRO A 20 14.961 -1.299 -0.585 1.00 0.00 C ATOM 0 HA PRO A 20 11.772 -1.317 -1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.746 -3.796 -0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.220 -3.124 -2.364 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.833 -3.341 0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.400 -3.225 -1.497 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.308 -1.082 0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.727 -0.936 -1.270 1.00 0.00 H new ATOM 299 N GLU A 21 12.249 -1.085 1.420 1.00 0.00 N ATOM 300 CA GLU A 21 11.677 -1.257 2.806 1.00 0.00 C ATOM 301 C GLU A 21 10.146 -1.211 2.869 1.00 0.00 C ATOM 302 O GLU A 21 9.543 -2.054 3.505 1.00 0.00 O ATOM 303 CB GLU A 21 12.246 -0.191 3.730 1.00 0.00 C ATOM 304 CG GLU A 21 13.680 -0.557 4.118 1.00 0.00 C ATOM 305 CD GLU A 21 14.374 0.665 4.720 1.00 0.00 C ATOM 306 OE1 GLU A 21 13.787 1.734 4.681 1.00 0.00 O ATOM 307 OE2 GLU A 21 15.481 0.512 5.211 1.00 0.00 O ATOM 0 H GLU A 21 12.964 -0.362 1.342 1.00 0.00 H new ATOM 0 HA GLU A 21 11.968 -2.258 3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.230 0.780 3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.628 -0.103 4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.676 -1.376 4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.228 -0.904 3.242 1.00 0.00 H new ATOM 314 N PRO A 22 9.555 -0.248 2.243 1.00 0.00 N ATOM 315 CA PRO A 22 8.094 -0.105 2.255 1.00 0.00 C ATOM 316 C PRO A 22 7.509 -1.226 1.430 1.00 0.00 C ATOM 317 O PRO A 22 6.789 -2.074 1.918 1.00 0.00 O ATOM 318 CB PRO A 22 7.863 1.261 1.626 1.00 0.00 C ATOM 319 CG PRO A 22 9.138 1.598 0.825 1.00 0.00 C ATOM 320 CD PRO A 22 10.264 0.754 1.444 1.00 0.00 C ATOM 0 HA PRO A 22 7.630 -0.164 3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.989 1.245 0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.676 2.014 2.392 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.009 1.362 -0.231 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.368 2.662 0.888 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.882 0.288 0.677 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.926 1.362 2.061 1.00 0.00 H new ATOM 328 N VAL A 23 7.861 -1.264 0.193 1.00 0.00 N ATOM 329 CA VAL A 23 7.393 -2.369 -0.671 1.00 0.00 C ATOM 330 C VAL A 23 7.612 -3.679 0.088 1.00 0.00 C ATOM 331 O VAL A 23 6.935 -4.663 -0.133 1.00 0.00 O ATOM 332 CB VAL A 23 8.240 -2.394 -1.936 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.907 -3.642 -2.754 1.00 0.00 C ATOM 334 CG2 VAL A 23 7.960 -1.142 -2.769 1.00 0.00 C ATOM 0 H VAL A 23 8.457 -0.575 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 23 6.342 -2.239 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 23 9.295 -2.415 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.515 -3.657 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.117 -4.532 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.852 -3.628 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.568 -1.163 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.905 -1.115 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.207 -0.255 -2.186 1.00 0.00 H new ATOM 344 N MET A 24 8.570 -3.694 0.986 1.00 0.00 N ATOM 345 CA MET A 24 8.844 -4.939 1.759 1.00 0.00 C ATOM 346 C MET A 24 7.760 -5.137 2.816 1.00 0.00 C ATOM 347 O MET A 24 7.275 -6.230 3.026 1.00 0.00 O ATOM 348 CB MET A 24 10.206 -4.826 2.444 1.00 0.00 C ATOM 349 CG MET A 24 11.302 -5.293 1.486 1.00 0.00 C ATOM 350 SD MET A 24 12.295 -6.577 2.285 1.00 0.00 S ATOM 351 CE MET A 24 13.796 -6.349 1.302 1.00 0.00 C ATOM 0 H MET A 24 9.169 -2.900 1.213 1.00 0.00 H new ATOM 0 HA MET A 24 8.847 -5.791 1.079 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.388 -3.795 2.746 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.220 -5.431 3.351 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.858 -5.680 0.569 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.935 -4.452 1.203 1.00 0.00 H new ATOM 0 HE1 MET A 24 14.558 -7.055 1.633 1.00 0.00 H new ATOM 0 HE2 MET A 24 13.572 -6.524 0.250 1.00 0.00 H new ATOM 0 HE3 MET A 24 14.164 -5.331 1.430 1.00 0.00 H new ATOM 361 N MET A 25 7.375 -4.088 3.486 1.00 0.00 N ATOM 362 CA MET A 25 6.323 -4.220 4.527 1.00 0.00 C ATOM 363 C MET A 25 5.046 -4.744 3.879 1.00 0.00 C ATOM 364 O MET A 25 4.395 -5.618 4.404 1.00 0.00 O ATOM 365 CB MET A 25 6.058 -2.857 5.161 1.00 0.00 C ATOM 366 CG MET A 25 6.996 -2.657 6.353 1.00 0.00 C ATOM 367 SD MET A 25 6.649 -3.911 7.611 1.00 0.00 S ATOM 368 CE MET A 25 8.167 -4.871 7.400 1.00 0.00 C ATOM 0 H MET A 25 7.744 -3.146 3.357 1.00 0.00 H new ATOM 0 HA MET A 25 6.653 -4.914 5.300 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.212 -2.066 4.427 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.020 -2.791 5.487 1.00 0.00 H new ATOM 0 HG2 MET A 25 8.034 -2.729 6.029 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.862 -1.660 6.772 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.957 -5.927 7.571 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.545 -4.736 6.387 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.916 -4.530 8.115 1.00 0.00 H new ATOM 378 N VAL A 26 4.684 -4.227 2.738 1.00 0.00 N ATOM 379 CA VAL A 26 3.450 -4.730 2.066 1.00 0.00 C ATOM 380 C VAL A 26 3.654 -6.196 1.710 1.00 0.00 C ATOM 381 O VAL A 26 2.719 -6.947 1.602 1.00 0.00 O ATOM 382 CB VAL A 26 3.189 -3.956 0.778 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.011 -4.586 0.025 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.835 -2.513 1.103 1.00 0.00 C ATOM 0 H VAL A 26 5.182 -3.486 2.245 1.00 0.00 H new ATOM 0 HA VAL A 26 2.603 -4.603 2.740 1.00 0.00 H new ATOM 0 HB VAL A 26 4.088 -3.989 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.828 -4.030 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.247 -5.622 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.120 -4.554 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.650 -1.967 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.939 -2.489 1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.661 -2.048 1.640 1.00 0.00 H new ATOM 394 N ARG A 27 4.876 -6.599 1.504 1.00 0.00 N ATOM 395 CA ARG A 27 5.136 -8.024 1.141 1.00 0.00 C ATOM 396 C ARG A 27 4.791 -8.926 2.317 1.00 0.00 C ATOM 397 O ARG A 27 4.002 -9.828 2.200 1.00 0.00 O ATOM 398 CB ARG A 27 6.612 -8.225 0.810 1.00 0.00 C ATOM 399 CG ARG A 27 6.861 -7.860 -0.649 1.00 0.00 C ATOM 400 CD ARG A 27 6.533 -9.063 -1.534 1.00 0.00 C ATOM 401 NE ARG A 27 7.565 -10.118 -1.332 1.00 0.00 N ATOM 402 CZ ARG A 27 7.390 -11.308 -1.838 1.00 0.00 C ATOM 403 NH1 ARG A 27 7.476 -11.488 -3.128 1.00 0.00 N ATOM 404 NH2 ARG A 27 7.133 -12.319 -1.054 1.00 0.00 N ATOM 0 H ARG A 27 5.705 -6.008 1.570 1.00 0.00 H new ATOM 0 HA ARG A 27 4.522 -8.273 0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.229 -7.606 1.461 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.898 -9.261 0.991 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.245 -7.007 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.900 -7.563 -0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.545 -9.452 -1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.504 -8.762 -2.581 1.00 0.00 H new ATOM 0 HE ARG A 27 8.409 -9.910 -0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.680 -10.698 -3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.339 -12.418 -3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.069 -12.179 -0.046 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.996 -13.249 -1.450 1.00 0.00 H new ATOM 418 N LYS A 28 5.392 -8.680 3.441 1.00 0.00 N ATOM 419 CA LYS A 28 5.124 -9.517 4.651 1.00 0.00 C ATOM 420 C LYS A 28 3.646 -9.409 4.999 1.00 0.00 C ATOM 421 O LYS A 28 3.003 -10.372 5.358 1.00 0.00 O ATOM 422 CB LYS A 28 5.966 -9.011 5.825 1.00 0.00 C ATOM 423 CG LYS A 28 7.427 -9.424 5.623 1.00 0.00 C ATOM 424 CD LYS A 28 7.606 -10.885 6.037 1.00 0.00 C ATOM 425 CE LYS A 28 8.164 -10.949 7.461 1.00 0.00 C ATOM 426 NZ LYS A 28 9.152 -12.060 7.559 1.00 0.00 N ATOM 0 H LYS A 28 6.066 -7.928 3.581 1.00 0.00 H new ATOM 0 HA LYS A 28 5.385 -10.556 4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.891 -7.926 5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.587 -9.421 6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.712 -9.293 4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.082 -8.784 6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.651 -11.408 5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.283 -11.389 5.347 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.639 -10.002 7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.354 -11.105 8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.531 -12.103 8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.686 -12.961 7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.930 -11.893 6.890 1.00 0.00 H new ATOM 440 N THR A 29 3.110 -8.238 4.858 1.00 0.00 N ATOM 441 CA THR A 29 1.669 -8.011 5.127 1.00 0.00 C ATOM 442 C THR A 29 0.889 -8.776 4.068 1.00 0.00 C ATOM 443 O THR A 29 -0.158 -9.339 4.312 1.00 0.00 O ATOM 444 CB THR A 29 1.429 -6.506 4.995 1.00 0.00 C ATOM 445 OG1 THR A 29 1.587 -5.887 6.263 1.00 0.00 O ATOM 446 CG2 THR A 29 0.038 -6.191 4.432 1.00 0.00 C ATOM 0 H THR A 29 3.621 -7.407 4.560 1.00 0.00 H new ATOM 0 HA THR A 29 1.359 -8.348 6.116 1.00 0.00 H new ATOM 0 HB THR A 29 2.163 -6.113 4.292 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.435 -4.923 6.177 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.088 -5.111 4.356 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.064 -6.639 3.444 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.724 -6.599 5.096 1.00 0.00 H new ATOM 454 N VAL A 30 1.436 -8.815 2.896 1.00 0.00 N ATOM 455 CA VAL A 30 0.797 -9.548 1.784 1.00 0.00 C ATOM 456 C VAL A 30 0.877 -11.032 2.122 1.00 0.00 C ATOM 457 O VAL A 30 0.042 -11.828 1.743 1.00 0.00 O ATOM 458 CB VAL A 30 1.595 -9.250 0.509 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.412 -10.370 -0.501 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.126 -7.935 -0.121 1.00 0.00 C ATOM 0 H VAL A 30 2.317 -8.360 2.657 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.242 -9.255 1.636 1.00 0.00 H new ATOM 0 HB VAL A 30 2.647 -9.169 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.984 -10.145 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.764 -11.308 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.356 -10.461 -0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.703 -7.739 -1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.068 -8.010 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.273 -7.120 0.587 1.00 0.00 H new ATOM 470 N ARG A 31 1.887 -11.388 2.861 1.00 0.00 N ATOM 471 CA ARG A 31 2.067 -12.799 3.279 1.00 0.00 C ATOM 472 C ARG A 31 1.083 -13.090 4.407 1.00 0.00 C ATOM 473 O ARG A 31 0.617 -14.200 4.571 1.00 0.00 O ATOM 474 CB ARG A 31 3.492 -12.998 3.802 1.00 0.00 C ATOM 475 CG ARG A 31 4.508 -12.805 2.667 1.00 0.00 C ATOM 476 CD ARG A 31 5.907 -13.208 3.148 1.00 0.00 C ATOM 477 NE ARG A 31 5.797 -14.244 4.214 1.00 0.00 N ATOM 478 CZ ARG A 31 6.409 -15.389 4.077 1.00 0.00 C ATOM 479 NH1 ARG A 31 7.707 -15.454 4.197 1.00 0.00 N ATOM 480 NH2 ARG A 31 5.722 -16.469 3.821 1.00 0.00 N ATOM 0 H ARG A 31 2.607 -10.748 3.198 1.00 0.00 H new ATOM 0 HA ARG A 31 1.894 -13.466 2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.694 -12.289 4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.595 -13.997 4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.222 -13.407 1.805 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.511 -11.765 2.342 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.491 -13.594 2.313 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.435 -12.335 3.530 1.00 0.00 H new ATOM 0 HE ARG A 31 5.244 -14.058 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.243 -14.610 4.398 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.185 -16.349 4.090 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.708 -16.418 3.728 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.200 -17.364 3.714 1.00 0.00 H new ATOM 494 N ASN A 32 0.761 -12.092 5.190 1.00 0.00 N ATOM 495 CA ASN A 32 -0.195 -12.316 6.309 1.00 0.00 C ATOM 496 C ASN A 32 -1.574 -11.785 5.917 1.00 0.00 C ATOM 497 O ASN A 32 -2.477 -11.714 6.729 1.00 0.00 O ATOM 498 CB ASN A 32 0.302 -11.604 7.573 1.00 0.00 C ATOM 499 CG ASN A 32 0.277 -10.086 7.374 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.500 -9.572 6.595 1.00 0.00 O ATOM 501 ND2 ASN A 32 1.102 -9.340 8.058 1.00 0.00 N ATOM 0 H ASN A 32 1.117 -11.140 5.102 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.266 -13.384 6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.325 -11.876 8.422 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.315 -11.930 7.807 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.093 -8.327 7.938 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.755 -9.770 8.713 1.00 0.00 H new ATOM 508 N MET A 33 -1.748 -11.418 4.677 1.00 0.00 N ATOM 509 CA MET A 33 -3.073 -10.902 4.237 1.00 0.00 C ATOM 510 C MET A 33 -3.863 -12.022 3.562 1.00 0.00 C ATOM 511 O MET A 33 -3.422 -13.150 3.476 1.00 0.00 O ATOM 512 CB MET A 33 -2.891 -9.747 3.248 1.00 0.00 C ATOM 513 CG MET A 33 -2.854 -8.424 4.014 1.00 0.00 C ATOM 514 SD MET A 33 -3.558 -7.110 2.988 1.00 0.00 S ATOM 515 CE MET A 33 -5.207 -7.835 2.784 1.00 0.00 C ATOM 0 H MET A 33 -1.031 -11.453 3.952 1.00 0.00 H new ATOM 0 HA MET A 33 -3.616 -10.543 5.111 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.968 -9.879 2.683 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.708 -9.739 2.526 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.416 -8.514 4.944 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.827 -8.177 4.285 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.798 -7.212 2.113 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.115 -8.836 2.363 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.701 -7.894 3.754 1.00 0.00 H new ATOM 525 N GLN A 34 -5.032 -11.708 3.084 1.00 0.00 N ATOM 526 CA GLN A 34 -5.878 -12.729 2.410 1.00 0.00 C ATOM 527 C GLN A 34 -6.514 -12.094 1.175 1.00 0.00 C ATOM 528 O GLN A 34 -6.694 -10.893 1.128 1.00 0.00 O ATOM 529 CB GLN A 34 -6.974 -13.203 3.367 1.00 0.00 C ATOM 530 CG GLN A 34 -6.442 -14.350 4.229 1.00 0.00 C ATOM 531 CD GLN A 34 -7.065 -14.275 5.624 1.00 0.00 C ATOM 532 OE1 GLN A 34 -6.371 -14.083 6.603 1.00 0.00 O ATOM 533 NE2 GLN A 34 -8.355 -14.420 5.759 1.00 0.00 N ATOM 0 H GLN A 34 -5.443 -10.776 3.132 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.269 -13.585 2.118 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.299 -12.378 4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.846 -13.533 2.802 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.679 -15.307 3.765 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.356 -14.291 4.301 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.939 -14.581 4.938 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.779 -14.372 6.685 1.00 0.00 H new ATOM 542 N PRO A 35 -6.832 -12.910 0.206 1.00 0.00 N ATOM 543 CA PRO A 35 -7.444 -12.433 -1.040 1.00 0.00 C ATOM 544 C PRO A 35 -8.868 -11.960 -0.767 1.00 0.00 C ATOM 545 O PRO A 35 -9.698 -12.689 -0.262 1.00 0.00 O ATOM 546 CB PRO A 35 -7.402 -13.650 -1.962 1.00 0.00 C ATOM 547 CG PRO A 35 -7.264 -14.885 -1.040 1.00 0.00 C ATOM 548 CD PRO A 35 -6.640 -14.372 0.273 1.00 0.00 C ATOM 0 HA PRO A 35 -6.930 -11.581 -1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.308 -13.713 -2.565 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.563 -13.585 -2.654 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.235 -15.344 -0.856 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.633 -15.646 -1.500 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.134 -14.801 1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.584 -14.634 0.343 1.00 0.00 H new ATOM 556 N GLY A 36 -9.139 -10.725 -1.071 1.00 0.00 N ATOM 557 CA GLY A 36 -10.487 -10.165 -0.805 1.00 0.00 C ATOM 558 C GLY A 36 -10.394 -9.285 0.442 1.00 0.00 C ATOM 559 O GLY A 36 -11.386 -8.945 1.055 1.00 0.00 O ATOM 0 H GLY A 36 -8.478 -10.075 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.833 -9.582 -1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.210 -10.967 -0.653 1.00 0.00 H new ATOM 563 N GLU A 37 -9.195 -8.916 0.821 1.00 0.00 N ATOM 564 CA GLU A 37 -9.017 -8.060 2.025 1.00 0.00 C ATOM 565 C GLU A 37 -8.459 -6.705 1.593 1.00 0.00 C ATOM 566 O GLU A 37 -8.309 -6.441 0.418 1.00 0.00 O ATOM 567 CB GLU A 37 -8.036 -8.735 2.984 1.00 0.00 C ATOM 568 CG GLU A 37 -8.804 -9.632 3.957 1.00 0.00 C ATOM 569 CD GLU A 37 -7.989 -9.813 5.240 1.00 0.00 C ATOM 570 OE1 GLU A 37 -7.418 -8.837 5.698 1.00 0.00 O ATOM 571 OE2 GLU A 37 -7.950 -10.924 5.742 1.00 0.00 O ATOM 0 H GLU A 37 -8.331 -9.174 0.344 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.975 -7.920 2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.312 -9.326 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.474 -7.981 3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.773 -9.189 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.999 -10.601 3.498 1.00 0.00 H new ATOM 578 N THR A 38 -8.151 -5.842 2.522 1.00 0.00 N ATOM 579 CA THR A 38 -7.610 -4.509 2.134 1.00 0.00 C ATOM 580 C THR A 38 -6.448 -4.116 3.048 1.00 0.00 C ATOM 581 O THR A 38 -6.321 -4.595 4.158 1.00 0.00 O ATOM 582 CB THR A 38 -8.721 -3.464 2.232 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.640 -3.845 3.246 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.442 -3.374 0.888 1.00 0.00 C ATOM 0 H THR A 38 -8.249 -6.000 3.525 1.00 0.00 H new ATOM 0 HA THR A 38 -7.243 -4.560 1.109 1.00 0.00 H new ATOM 0 HB THR A 38 -8.295 -2.493 2.482 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.352 -3.175 3.311 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.236 -2.630 0.950 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.733 -3.083 0.113 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.872 -4.344 0.640 1.00 0.00 H new ATOM 592 N LEU A 39 -5.597 -3.248 2.574 1.00 0.00 N ATOM 593 CA LEU A 39 -4.426 -2.809 3.384 1.00 0.00 C ATOM 594 C LEU A 39 -4.147 -1.329 3.093 1.00 0.00 C ATOM 595 O LEU A 39 -3.833 -0.959 1.979 1.00 0.00 O ATOM 596 CB LEU A 39 -3.208 -3.648 2.980 1.00 0.00 C ATOM 597 CG LEU A 39 -1.922 -3.025 3.532 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.624 -3.603 4.911 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.761 -3.343 2.588 1.00 0.00 C ATOM 0 H LEU A 39 -5.664 -2.820 1.651 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.629 -2.940 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.318 -4.665 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.149 -3.716 1.894 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.047 -1.945 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.709 -3.158 5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.452 -3.381 5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.498 -4.683 4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.156 -2.901 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.639 -4.424 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.971 -2.931 1.601 1.00 0.00 H new ATOM 611 N LEU A 40 -4.234 -0.481 4.081 1.00 0.00 N ATOM 612 CA LEU A 40 -3.947 0.960 3.845 1.00 0.00 C ATOM 613 C LEU A 40 -2.444 1.167 4.014 1.00 0.00 C ATOM 614 O LEU A 40 -1.806 0.498 4.802 1.00 0.00 O ATOM 615 CB LEU A 40 -4.706 1.815 4.863 1.00 0.00 C ATOM 616 CG LEU A 40 -4.175 3.248 4.822 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.548 3.895 3.487 1.00 0.00 C ATOM 618 CD2 LEU A 40 -4.793 4.052 5.968 1.00 0.00 C ATOM 0 H LEU A 40 -4.491 -0.724 5.038 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.264 1.254 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.773 1.805 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.586 1.400 5.864 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.090 3.236 4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.169 4.917 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.109 3.323 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.633 3.908 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.415 5.074 5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.878 4.063 5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.527 3.593 6.920 1.00 0.00 H new ATOM 630 N ILE A 41 -1.862 2.050 3.259 1.00 0.00 N ATOM 631 CA ILE A 41 -0.391 2.243 3.364 1.00 0.00 C ATOM 632 C ILE A 41 -0.026 3.718 3.217 1.00 0.00 C ATOM 633 O ILE A 41 -0.351 4.340 2.231 1.00 0.00 O ATOM 634 CB ILE A 41 0.266 1.463 2.227 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.459 0.118 2.064 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.748 1.248 2.544 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.422 -0.873 1.303 1.00 0.00 C ATOM 0 H ILE A 41 -2.335 2.644 2.578 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.049 1.895 4.339 1.00 0.00 H new ATOM 0 HB ILE A 41 0.193 2.021 1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.711 -0.288 3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.397 0.266 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.217 0.691 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.241 2.214 2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.844 0.685 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.105 -1.821 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.652 -0.472 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.349 -1.034 1.854 1.00 0.00 H new ATOM 649 N ILE A 42 0.689 4.281 4.153 1.00 0.00 N ATOM 650 CA ILE A 42 1.092 5.688 3.993 1.00 0.00 C ATOM 651 C ILE A 42 2.525 5.680 3.517 1.00 0.00 C ATOM 652 O ILE A 42 3.216 4.688 3.619 1.00 0.00 O ATOM 653 CB ILE A 42 0.994 6.436 5.312 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.254 5.986 6.062 1.00 0.00 C ATOM 655 CG2 ILE A 42 0.911 7.945 5.035 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.546 6.994 7.160 1.00 0.00 C ATOM 0 H ILE A 42 1.004 3.825 5.009 1.00 0.00 H new ATOM 0 HA ILE A 42 0.436 6.191 3.283 1.00 0.00 H new ATOM 0 HB ILE A 42 1.875 6.224 5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.101 5.914 5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.103 4.994 6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.841 8.485 5.979 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.804 8.266 4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.029 8.156 4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.437 6.687 7.708 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.301 7.043 7.844 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.712 7.976 6.717 1.00 0.00 H new ATOM 668 N ALA A 43 2.983 6.761 3.000 1.00 0.00 N ATOM 669 CA ALA A 43 4.378 6.795 2.518 1.00 0.00 C ATOM 670 C ALA A 43 4.800 8.235 2.342 1.00 0.00 C ATOM 671 O ALA A 43 4.172 8.989 1.638 1.00 0.00 O ATOM 672 CB ALA A 43 4.478 6.065 1.178 1.00 0.00 C ATOM 0 H ALA A 43 2.457 7.628 2.887 1.00 0.00 H new ATOM 0 HA ALA A 43 5.029 6.304 3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.509 6.092 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.165 5.029 1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.832 6.553 0.449 1.00 0.00 H new ATOM 678 N ASP A 44 5.884 8.618 2.920 1.00 0.00 N ATOM 679 CA ASP A 44 6.352 9.999 2.713 1.00 0.00 C ATOM 680 C ASP A 44 7.508 9.894 1.751 1.00 0.00 C ATOM 681 O ASP A 44 7.810 10.807 1.008 1.00 0.00 O ATOM 682 CB ASP A 44 6.773 10.666 4.028 1.00 0.00 C ATOM 683 CG ASP A 44 8.036 10.027 4.600 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.914 9.677 3.828 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.111 9.913 5.812 1.00 0.00 O ATOM 0 H ASP A 44 6.466 8.039 3.525 1.00 0.00 H new ATOM 0 HA ASP A 44 5.556 10.629 2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.946 11.729 3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.963 10.586 4.753 1.00 0.00 H new ATOM 690 N ASP A 45 8.130 8.745 1.722 1.00 0.00 N ATOM 691 CA ASP A 45 9.233 8.551 0.763 1.00 0.00 C ATOM 692 C ASP A 45 8.649 8.703 -0.651 1.00 0.00 C ATOM 693 O ASP A 45 7.532 8.295 -0.897 1.00 0.00 O ATOM 694 CB ASP A 45 9.789 7.163 0.987 1.00 0.00 C ATOM 695 CG ASP A 45 10.503 6.647 -0.262 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.663 6.981 -0.437 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.884 5.918 -1.017 1.00 0.00 O ATOM 0 H ASP A 45 7.918 7.945 2.318 1.00 0.00 H new ATOM 0 HA ASP A 45 10.036 9.277 0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.484 7.178 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.980 6.483 1.254 1.00 0.00 H new ATOM 702 N PRO A 46 9.402 9.312 -1.528 1.00 0.00 N ATOM 703 CA PRO A 46 8.959 9.562 -2.913 1.00 0.00 C ATOM 704 C PRO A 46 9.059 8.287 -3.740 1.00 0.00 C ATOM 705 O PRO A 46 8.461 8.158 -4.790 1.00 0.00 O ATOM 706 CB PRO A 46 9.945 10.618 -3.417 1.00 0.00 C ATOM 707 CG PRO A 46 11.202 10.506 -2.524 1.00 0.00 C ATOM 708 CD PRO A 46 10.763 9.793 -1.231 1.00 0.00 C ATOM 0 HA PRO A 46 7.921 9.887 -2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.196 10.446 -4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.511 11.616 -3.353 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.987 9.943 -3.029 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.609 11.493 -2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.432 8.968 -0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.768 10.473 -0.380 1.00 0.00 H new ATOM 716 N ALA A 47 9.817 7.349 -3.270 1.00 0.00 N ATOM 717 CA ALA A 47 9.978 6.068 -4.016 1.00 0.00 C ATOM 718 C ALA A 47 8.925 5.058 -3.556 1.00 0.00 C ATOM 719 O ALA A 47 8.846 3.961 -4.069 1.00 0.00 O ATOM 720 CB ALA A 47 11.377 5.503 -3.766 1.00 0.00 C ATOM 0 H ALA A 47 10.339 7.408 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 47 9.847 6.256 -5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.494 4.567 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.125 6.218 -4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.511 5.321 -2.700 1.00 0.00 H new ATOM 726 N THR A 48 8.121 5.410 -2.592 1.00 0.00 N ATOM 727 CA THR A 48 7.081 4.457 -2.112 1.00 0.00 C ATOM 728 C THR A 48 5.833 4.591 -2.981 1.00 0.00 C ATOM 729 O THR A 48 5.219 3.614 -3.361 1.00 0.00 O ATOM 730 CB THR A 48 6.713 4.782 -0.663 1.00 0.00 C ATOM 731 OG1 THR A 48 6.605 6.190 -0.509 1.00 0.00 O ATOM 732 CG2 THR A 48 7.791 4.246 0.276 1.00 0.00 C ATOM 0 H THR A 48 8.138 6.313 -2.117 1.00 0.00 H new ATOM 0 HA THR A 48 7.470 3.441 -2.172 1.00 0.00 H new ATOM 0 HB THR A 48 5.760 4.314 -0.418 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.501 6.583 -0.459 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.525 4.480 1.307 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.872 3.165 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.747 4.710 0.034 1.00 0.00 H new ATOM 740 N THR A 49 5.451 5.795 -3.297 1.00 0.00 N ATOM 741 CA THR A 49 4.239 5.988 -4.142 1.00 0.00 C ATOM 742 C THR A 49 4.401 5.178 -5.420 1.00 0.00 C ATOM 743 O THR A 49 3.444 4.711 -6.000 1.00 0.00 O ATOM 744 CB THR A 49 4.074 7.465 -4.530 1.00 0.00 C ATOM 745 OG1 THR A 49 4.745 7.703 -5.760 1.00 0.00 O ATOM 746 CG2 THR A 49 4.669 8.368 -3.454 1.00 0.00 C ATOM 0 H THR A 49 5.923 6.652 -3.009 1.00 0.00 H new ATOM 0 HA THR A 49 3.365 5.665 -3.577 1.00 0.00 H new ATOM 0 HB THR A 49 3.012 7.687 -4.631 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.641 8.644 -6.013 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.544 9.411 -3.744 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.158 8.191 -2.507 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.730 8.148 -3.340 1.00 0.00 H new ATOM 754 N ARG A 50 5.607 5.046 -5.885 1.00 0.00 N ATOM 755 CA ARG A 50 5.826 4.298 -7.157 1.00 0.00 C ATOM 756 C ARG A 50 6.219 2.837 -6.908 1.00 0.00 C ATOM 757 O ARG A 50 5.844 1.955 -7.653 1.00 0.00 O ATOM 758 CB ARG A 50 6.940 4.981 -7.946 1.00 0.00 C ATOM 759 CG ARG A 50 6.407 6.268 -8.579 1.00 0.00 C ATOM 760 CD ARG A 50 7.294 7.446 -8.169 1.00 0.00 C ATOM 761 NE ARG A 50 6.494 8.704 -8.200 1.00 0.00 N ATOM 762 CZ ARG A 50 6.937 9.775 -7.602 1.00 0.00 C ATOM 763 NH1 ARG A 50 8.217 10.029 -7.583 1.00 0.00 N ATOM 764 NH2 ARG A 50 6.101 10.592 -7.022 1.00 0.00 N ATOM 0 H ARG A 50 6.448 5.419 -5.446 1.00 0.00 H new ATOM 0 HA ARG A 50 4.889 4.302 -7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.779 5.208 -7.288 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.314 4.311 -8.720 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.391 6.172 -9.665 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.380 6.444 -8.260 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.695 7.282 -7.169 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.145 7.527 -8.845 1.00 0.00 H new ATOM 0 HE ARG A 50 5.599 8.727 -8.689 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.871 9.390 -8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.564 10.867 -7.115 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.101 10.393 -7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.448 11.430 -6.554 1.00 0.00 H new ATOM 778 N ASP A 51 7.008 2.580 -5.911 1.00 0.00 N ATOM 779 CA ASP A 51 7.470 1.178 -5.671 1.00 0.00 C ATOM 780 C ASP A 51 6.463 0.356 -4.857 1.00 0.00 C ATOM 781 O ASP A 51 6.164 -0.770 -5.198 1.00 0.00 O ATOM 782 CB ASP A 51 8.800 1.222 -4.918 1.00 0.00 C ATOM 783 CG ASP A 51 9.859 1.895 -5.794 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.724 3.081 -6.047 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.788 1.213 -6.195 1.00 0.00 O ATOM 0 H ASP A 51 7.357 3.273 -5.249 1.00 0.00 H new ATOM 0 HA ASP A 51 7.578 0.694 -6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.683 1.771 -3.983 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.116 0.212 -4.657 1.00 0.00 H new ATOM 790 N ILE A 52 5.965 0.877 -3.775 1.00 0.00 N ATOM 791 CA ILE A 52 5.015 0.078 -2.941 1.00 0.00 C ATOM 792 C ILE A 52 3.876 -0.486 -3.787 1.00 0.00 C ATOM 793 O ILE A 52 3.574 -1.660 -3.693 1.00 0.00 O ATOM 794 CB ILE A 52 4.476 0.948 -1.796 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.383 0.772 -0.581 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.043 0.541 -1.421 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.714 1.382 0.651 1.00 0.00 C ATOM 0 H ILE A 52 6.169 1.815 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 52 5.551 -0.771 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 52 4.462 1.989 -2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.581 -0.287 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.345 1.252 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.686 1.173 -0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.392 0.662 -2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.032 -0.501 -1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.363 1.255 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.538 2.444 0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.763 0.882 0.834 1.00 0.00 H new ATOM 809 N PRO A 53 3.271 0.339 -4.584 1.00 0.00 N ATOM 810 CA PRO A 53 2.169 -0.101 -5.434 1.00 0.00 C ATOM 811 C PRO A 53 2.700 -0.948 -6.570 1.00 0.00 C ATOM 812 O PRO A 53 2.231 -2.033 -6.804 1.00 0.00 O ATOM 813 CB PRO A 53 1.545 1.188 -5.931 1.00 0.00 C ATOM 814 CG PRO A 53 2.614 2.291 -5.766 1.00 0.00 C ATOM 815 CD PRO A 53 3.628 1.765 -4.731 1.00 0.00 C ATOM 0 HA PRO A 53 1.440 -0.722 -4.913 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.243 1.095 -6.974 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.648 1.429 -5.360 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.104 2.502 -6.717 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.161 3.223 -5.427 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.654 1.887 -5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.546 2.298 -3.784 1.00 0.00 H new ATOM 823 N GLY A 54 3.688 -0.481 -7.266 1.00 0.00 N ATOM 824 CA GLY A 54 4.239 -1.308 -8.365 1.00 0.00 C ATOM 825 C GLY A 54 4.482 -2.711 -7.822 1.00 0.00 C ATOM 826 O GLY A 54 4.464 -3.682 -8.551 1.00 0.00 O ATOM 0 H GLY A 54 4.134 0.425 -7.126 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.544 -1.339 -9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.168 -0.877 -8.737 1.00 0.00 H new ATOM 830 N PHE A 55 4.684 -2.829 -6.535 1.00 0.00 N ATOM 831 CA PHE A 55 4.896 -4.178 -5.954 1.00 0.00 C ATOM 832 C PHE A 55 3.544 -4.891 -5.849 1.00 0.00 C ATOM 833 O PHE A 55 3.385 -6.003 -6.314 1.00 0.00 O ATOM 834 CB PHE A 55 5.542 -4.044 -4.565 1.00 0.00 C ATOM 835 CG PHE A 55 5.092 -5.174 -3.664 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.055 -6.489 -4.145 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.688 -4.900 -2.358 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.612 -7.524 -3.318 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.250 -5.937 -1.533 1.00 0.00 C ATOM 840 CZ PHE A 55 4.209 -7.249 -2.013 1.00 0.00 C ATOM 0 H PHE A 55 4.710 -2.055 -5.871 1.00 0.00 H new ATOM 0 HA PHE A 55 5.561 -4.761 -6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.628 -4.055 -4.659 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.271 -3.086 -4.121 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.369 -6.703 -5.156 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.714 -3.887 -1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.582 -8.537 -3.690 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.942 -5.725 -0.520 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.865 -8.048 -1.373 1.00 0.00 H new ATOM 850 N CYS A 56 2.572 -4.277 -5.231 1.00 0.00 N ATOM 851 CA CYS A 56 1.255 -4.952 -5.098 1.00 0.00 C ATOM 852 C CYS A 56 0.754 -5.387 -6.469 1.00 0.00 C ATOM 853 O CYS A 56 0.164 -6.431 -6.616 1.00 0.00 O ATOM 854 CB CYS A 56 0.264 -3.985 -4.467 1.00 0.00 C ATOM 855 SG CYS A 56 0.602 -3.877 -2.692 1.00 0.00 S ATOM 0 H CYS A 56 2.633 -3.347 -4.817 1.00 0.00 H new ATOM 0 HA CYS A 56 1.358 -5.835 -4.467 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.351 -3.001 -4.928 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.757 -4.327 -4.636 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.228 -4.640 -2.045 1.00 0.00 H new ATOM 861 N THR A 57 0.983 -4.601 -7.475 1.00 0.00 N ATOM 862 CA THR A 57 0.509 -4.985 -8.834 1.00 0.00 C ATOM 863 C THR A 57 1.250 -6.239 -9.306 1.00 0.00 C ATOM 864 O THR A 57 0.707 -7.067 -10.008 1.00 0.00 O ATOM 865 CB THR A 57 0.783 -3.841 -9.808 1.00 0.00 C ATOM 866 OG1 THR A 57 0.297 -2.624 -9.258 1.00 0.00 O ATOM 867 CG2 THR A 57 0.079 -4.127 -11.132 1.00 0.00 C ATOM 0 H THR A 57 1.476 -3.710 -7.420 1.00 0.00 H new ATOM 0 HA THR A 57 -0.561 -5.190 -8.797 1.00 0.00 H new ATOM 0 HB THR A 57 1.856 -3.754 -9.980 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.474 -1.889 -9.882 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.272 -3.313 -11.830 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.456 -5.060 -11.550 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.994 -4.213 -10.962 1.00 0.00 H new ATOM 875 N PHE A 58 2.492 -6.370 -8.937 1.00 0.00 N ATOM 876 CA PHE A 58 3.287 -7.556 -9.373 1.00 0.00 C ATOM 877 C PHE A 58 2.788 -8.833 -8.683 1.00 0.00 C ATOM 878 O PHE A 58 2.856 -9.909 -9.243 1.00 0.00 O ATOM 879 CB PHE A 58 4.757 -7.330 -9.014 1.00 0.00 C ATOM 880 CG PHE A 58 5.639 -8.101 -9.967 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.651 -9.501 -9.932 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.445 -7.417 -10.884 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.470 -10.216 -10.815 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.265 -8.131 -11.765 1.00 0.00 C ATOM 885 CZ PHE A 58 7.277 -9.530 -11.731 1.00 0.00 C ATOM 0 H PHE A 58 2.995 -5.705 -8.350 1.00 0.00 H new ATOM 0 HA PHE A 58 3.173 -7.678 -10.450 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.994 -6.267 -9.063 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.944 -7.651 -7.989 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.029 -10.029 -9.224 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.434 -6.337 -10.912 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.479 -11.296 -10.789 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.888 -7.603 -12.471 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.909 -10.081 -12.412 1.00 0.00 H new ATOM 895 N MET A 59 2.310 -8.737 -7.470 1.00 0.00 N ATOM 896 CA MET A 59 1.840 -9.970 -6.766 1.00 0.00 C ATOM 897 C MET A 59 0.373 -10.277 -7.085 1.00 0.00 C ATOM 898 O MET A 59 -0.203 -11.193 -6.535 1.00 0.00 O ATOM 899 CB MET A 59 2.020 -9.800 -5.266 1.00 0.00 C ATOM 900 CG MET A 59 3.392 -10.341 -4.855 1.00 0.00 C ATOM 901 SD MET A 59 4.671 -9.634 -5.925 1.00 0.00 S ATOM 902 CE MET A 59 5.723 -11.102 -6.019 1.00 0.00 C ATOM 0 H MET A 59 2.225 -7.870 -6.940 1.00 0.00 H new ATOM 0 HA MET A 59 2.439 -10.810 -7.117 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.936 -8.748 -4.995 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.232 -10.331 -4.731 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.596 -10.091 -3.814 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.402 -11.428 -4.929 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.760 -10.798 -6.165 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.639 -11.670 -5.093 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.406 -11.724 -6.856 1.00 0.00 H new ATOM 912 N GLU A 60 -0.229 -9.534 -7.978 1.00 0.00 N ATOM 913 CA GLU A 60 -1.656 -9.800 -8.351 1.00 0.00 C ATOM 914 C GLU A 60 -2.611 -9.143 -7.350 1.00 0.00 C ATOM 915 O GLU A 60 -3.750 -9.539 -7.217 1.00 0.00 O ATOM 916 CB GLU A 60 -1.914 -11.310 -8.385 1.00 0.00 C ATOM 917 CG GLU A 60 -3.106 -11.607 -9.296 1.00 0.00 C ATOM 918 CD GLU A 60 -2.603 -12.143 -10.638 1.00 0.00 C ATOM 919 OE1 GLU A 60 -1.580 -11.665 -11.097 1.00 0.00 O ATOM 920 OE2 GLU A 60 -3.249 -13.024 -11.180 1.00 0.00 O ATOM 0 H GLU A 60 0.205 -8.752 -8.468 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.836 -9.375 -9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.028 -11.832 -8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.112 -11.678 -7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.764 -12.337 -8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.693 -10.702 -9.451 1.00 0.00 H new ATOM 927 N HIS A 61 -2.161 -8.137 -6.656 1.00 0.00 N ATOM 928 CA HIS A 61 -3.033 -7.443 -5.677 1.00 0.00 C ATOM 929 C HIS A 61 -3.638 -6.213 -6.353 1.00 0.00 C ATOM 930 O HIS A 61 -3.318 -5.902 -7.483 1.00 0.00 O ATOM 931 CB HIS A 61 -2.186 -7.013 -4.484 1.00 0.00 C ATOM 932 CG HIS A 61 -1.432 -8.205 -3.971 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.710 -9.488 -4.409 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.404 -8.328 -3.070 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.866 -10.321 -3.779 1.00 0.00 C ATOM 936 NE2 HIS A 61 -0.048 -9.668 -2.949 1.00 0.00 N ATOM 0 H HIS A 61 -1.215 -7.764 -6.728 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.830 -8.103 -5.336 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.492 -6.226 -4.778 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.821 -6.602 -3.699 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.425 -9.752 -5.086 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.058 -7.510 -2.537 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.850 -11.391 -3.926 1.00 0.00 H new ATOM 944 N GLU A 62 -4.528 -5.520 -5.697 1.00 0.00 N ATOM 945 CA GLU A 62 -5.152 -4.339 -6.349 1.00 0.00 C ATOM 946 C GLU A 62 -4.961 -3.075 -5.523 1.00 0.00 C ATOM 947 O GLU A 62 -5.045 -3.083 -4.315 1.00 0.00 O ATOM 948 CB GLU A 62 -6.649 -4.580 -6.495 1.00 0.00 C ATOM 949 CG GLU A 62 -6.944 -5.229 -7.847 1.00 0.00 C ATOM 950 CD GLU A 62 -8.037 -6.286 -7.680 1.00 0.00 C ATOM 951 OE1 GLU A 62 -8.848 -6.133 -6.782 1.00 0.00 O ATOM 952 OE2 GLU A 62 -8.044 -7.231 -8.452 1.00 0.00 O ATOM 0 H GLU A 62 -4.846 -5.719 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.673 -4.205 -7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.003 -5.223 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.188 -3.636 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.262 -4.472 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.039 -5.687 -8.247 1.00 0.00 H new ATOM 959 N LEU A 63 -4.785 -1.978 -6.192 1.00 0.00 N ATOM 960 CA LEU A 63 -4.674 -0.673 -5.490 1.00 0.00 C ATOM 961 C LEU A 63 -6.111 -0.206 -5.293 1.00 0.00 C ATOM 962 O LEU A 63 -6.763 0.220 -6.227 1.00 0.00 O ATOM 963 CB LEU A 63 -3.881 0.313 -6.370 1.00 0.00 C ATOM 964 CG LEU A 63 -4.341 1.760 -6.137 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.887 2.241 -4.758 1.00 0.00 C ATOM 966 CD2 LEU A 63 -3.724 2.660 -7.211 1.00 0.00 C ATOM 0 H LEU A 63 -4.712 -1.927 -7.208 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.149 -0.744 -4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.817 0.227 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.011 0.052 -7.420 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.429 1.803 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.218 3.268 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.319 1.601 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.800 2.198 -4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.046 3.689 -7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.637 2.606 -7.150 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.049 2.326 -8.196 1.00 0.00 H new ATOM 978 N VAL A 64 -6.645 -0.338 -4.114 1.00 0.00 N ATOM 979 CA VAL A 64 -8.044 0.033 -3.913 1.00 0.00 C ATOM 980 C VAL A 64 -8.212 1.560 -3.971 1.00 0.00 C ATOM 981 O VAL A 64 -9.067 2.053 -4.679 1.00 0.00 O ATOM 982 CB VAL A 64 -8.479 -0.562 -2.584 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.854 -0.061 -2.236 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.544 -2.082 -2.713 1.00 0.00 C ATOM 0 H VAL A 64 -6.161 -0.689 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.681 -0.361 -4.705 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.767 -0.274 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.166 -0.488 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.836 1.026 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.557 -0.358 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.856 -2.515 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.263 -2.351 -3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.560 -2.467 -2.982 1.00 0.00 H new ATOM 994 N ALA A 65 -7.416 2.328 -3.268 1.00 0.00 N ATOM 995 CA ALA A 65 -7.593 3.818 -3.366 1.00 0.00 C ATOM 996 C ALA A 65 -6.247 4.542 -3.211 1.00 0.00 C ATOM 997 O ALA A 65 -5.505 4.299 -2.309 1.00 0.00 O ATOM 998 CB ALA A 65 -8.549 4.283 -2.265 1.00 0.00 C ATOM 0 H ALA A 65 -6.673 2.006 -2.648 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.002 4.057 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.682 5.363 -2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.514 3.791 -2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.134 4.027 -1.290 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.903 5.436 -4.082 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.606 6.119 -3.917 1.00 0.00 C ATOM 1006 C LYS A 66 -4.790 7.470 -3.255 1.00 0.00 C ATOM 1007 O LYS A 66 -5.839 8.079 -3.307 1.00 0.00 O ATOM 1008 CB LYS A 66 -3.967 6.330 -5.264 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.358 5.192 -6.175 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.602 5.571 -6.981 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.180 6.013 -8.383 1.00 0.00 C ATOM 1012 NZ LYS A 66 -5.086 7.499 -8.429 1.00 0.00 N ATOM 0 H LYS A 66 -6.456 5.720 -4.891 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.971 5.493 -3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.289 7.281 -5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.883 6.377 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.535 4.956 -6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.555 4.296 -5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.281 4.721 -7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.143 6.375 -6.481 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.219 5.569 -8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.902 5.661 -9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.865 7.803 -9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.993 7.914 -8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.334 7.819 -7.786 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.744 7.929 -2.650 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.759 9.243 -1.960 1.00 0.00 C ATOM 1028 C GLU A 67 -2.531 10.047 -2.394 1.00 0.00 C ATOM 1029 O GLU A 67 -1.409 9.709 -2.073 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.699 9.013 -0.454 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.103 8.934 0.171 1.00 0.00 C ATOM 1032 CD GLU A 67 -6.123 8.386 -0.828 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -6.104 7.193 -1.072 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.908 9.171 -1.334 1.00 0.00 O ATOM 0 H GLU A 67 -2.852 7.437 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.668 9.788 -2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.158 8.089 -0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.138 9.822 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.075 8.295 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.412 9.925 0.504 1.00 0.00 H new ATOM 1041 N THR A 68 -2.735 11.107 -3.118 1.00 0.00 N ATOM 1042 CA THR A 68 -1.588 11.940 -3.577 1.00 0.00 C ATOM 1043 C THR A 68 -1.978 13.407 -3.426 1.00 0.00 C ATOM 1044 O THR A 68 -1.572 14.256 -4.195 1.00 0.00 O ATOM 1045 CB THR A 68 -1.292 11.626 -5.044 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.215 12.320 -5.872 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.426 10.119 -5.275 1.00 0.00 C ATOM 0 H THR A 68 -3.653 11.437 -3.415 1.00 0.00 H new ATOM 0 HA THR A 68 -0.697 11.729 -2.986 1.00 0.00 H new ATOM 0 HB THR A 68 -0.278 11.943 -5.290 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.023 13.281 -5.842 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.216 9.891 -6.320 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.718 9.589 -4.638 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.440 9.802 -5.032 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.776 13.704 -2.436 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.213 15.116 -2.224 1.00 0.00 C ATOM 1057 C ASP A 69 -2.117 15.898 -1.508 1.00 0.00 C ATOM 1058 O ASP A 69 -2.292 17.041 -1.132 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.479 15.128 -1.372 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.565 14.294 -2.053 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.232 13.255 -2.599 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -6.712 14.707 -2.017 1.00 0.00 O ATOM 0 H ASP A 69 -3.145 13.031 -1.764 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.411 15.580 -3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.266 14.727 -0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.826 16.152 -1.233 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.994 15.287 -1.318 1.00 0.00 N ATOM 1068 CA GLY A 70 0.126 15.952 -0.636 1.00 0.00 C ATOM 1069 C GLY A 70 0.646 15.039 0.452 1.00 0.00 C ATOM 1070 O GLY A 70 -0.086 14.540 1.283 1.00 0.00 O ATOM 0 H GLY A 70 -0.804 14.330 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.919 16.180 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.202 16.900 -0.209 1.00 0.00 H new ATOM 1074 N LEU A 71 1.907 14.818 0.420 1.00 0.00 N ATOM 1075 CA LEU A 71 2.558 13.928 1.413 1.00 0.00 C ATOM 1076 C LEU A 71 1.907 14.091 2.794 1.00 0.00 C ATOM 1077 O LEU A 71 1.474 15.165 3.161 1.00 0.00 O ATOM 1078 CB LEU A 71 4.044 14.268 1.526 1.00 0.00 C ATOM 1079 CG LEU A 71 4.753 13.915 0.230 1.00 0.00 C ATOM 1080 CD1 LEU A 71 5.927 14.870 0.008 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.275 12.481 0.319 1.00 0.00 C ATOM 0 H LEU A 71 2.542 15.223 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 71 2.437 12.899 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.168 15.329 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.490 13.720 2.356 1.00 0.00 H new ATOM 0 HG LEU A 71 4.055 14.003 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.433 14.614 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.557 15.894 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.628 14.784 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.785 12.221 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.973 12.399 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.440 11.799 0.477 1.00 0.00 H new ATOM 1093 N PRO A 72 1.882 13.002 3.515 1.00 0.00 N ATOM 1094 CA PRO A 72 2.417 11.729 3.027 1.00 0.00 C ATOM 1095 C PRO A 72 1.378 11.069 2.124 1.00 0.00 C ATOM 1096 O PRO A 72 0.188 11.204 2.319 1.00 0.00 O ATOM 1097 CB PRO A 72 2.607 10.899 4.280 1.00 0.00 C ATOM 1098 CG PRO A 72 1.622 11.482 5.312 1.00 0.00 C ATOM 1099 CD PRO A 72 1.330 12.934 4.878 1.00 0.00 C ATOM 0 HA PRO A 72 3.339 11.840 2.457 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.398 9.846 4.089 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.634 10.960 4.639 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.704 10.896 5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.051 11.457 6.314 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.262 13.149 4.890 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.808 13.655 5.541 1.00 0.00 H new ATOM 1107 N TYR A 73 1.824 10.356 1.149 1.00 0.00 N ATOM 1108 CA TYR A 73 0.884 9.668 0.224 1.00 0.00 C ATOM 1109 C TYR A 73 0.213 8.504 0.925 1.00 0.00 C ATOM 1110 O TYR A 73 0.672 8.034 1.942 1.00 0.00 O ATOM 1111 CB TYR A 73 1.632 9.052 -0.929 1.00 0.00 C ATOM 1112 CG TYR A 73 2.730 9.940 -1.400 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.458 11.048 -2.201 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.030 9.608 -1.066 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.510 11.840 -2.664 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.091 10.378 -1.530 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.836 11.505 -2.331 1.00 0.00 C ATOM 1118 OH TYR A 73 5.882 12.276 -2.796 1.00 0.00 O ATOM 0 H TYR A 73 2.813 10.213 0.943 1.00 0.00 H new ATOM 0 HA TYR A 73 0.166 10.417 -0.110 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.045 8.090 -0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.942 8.857 -1.750 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.439 11.292 -2.462 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.222 8.747 -0.442 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.307 12.707 -3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.106 10.111 -1.276 1.00 0.00 H new ATOM 0 HH TYR A 73 6.721 11.965 -2.396 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.827 7.980 0.349 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.461 6.799 0.942 1.00 0.00 C ATOM 1130 C ARG A 74 -2.034 5.973 -0.171 1.00 0.00 C ATOM 1131 O ARG A 74 -2.344 6.464 -1.217 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.541 7.196 1.922 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.910 7.314 3.294 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.803 8.146 4.218 1.00 0.00 C ATOM 1135 NE ARG A 74 -2.373 9.576 4.187 1.00 0.00 N ATOM 1136 CZ ARG A 74 -2.741 10.367 3.210 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -3.731 10.039 2.421 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -2.118 11.497 3.025 1.00 0.00 N ATOM 0 H ARG A 74 -1.259 8.326 -0.508 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.721 6.222 1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.993 8.143 1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.338 6.453 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.759 6.322 3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.927 7.778 3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.844 8.063 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.746 7.762 5.236 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.785 9.941 4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.226 9.159 2.563 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.008 10.664 1.664 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.348 11.761 3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.400 12.117 2.266 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.167 4.721 0.037 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.704 3.875 -1.037 1.00 0.00 C ATOM 1154 C TYR A 75 -3.341 2.655 -0.427 1.00 0.00 C ATOM 1155 O TYR A 75 -2.701 1.910 0.288 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.589 3.410 -1.959 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.468 4.411 -1.989 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.567 5.585 -2.736 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.690 4.122 -1.298 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.514 6.472 -2.792 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.775 5.006 -1.335 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.688 6.182 -2.089 1.00 0.00 C ATOM 1163 OH TYR A 75 2.762 7.044 -2.151 1.00 0.00 O ATOM 0 H TYR A 75 -1.929 4.238 0.903 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.430 4.455 -1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.211 2.445 -1.622 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.980 3.265 -2.966 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.478 5.809 -3.271 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.760 3.209 -0.725 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.442 7.378 -3.376 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.676 4.781 -0.784 1.00 0.00 H new ATOM 0 HH TYR A 75 3.512 6.669 -1.643 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.570 2.401 -0.715 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.158 1.206 -0.162 1.00 0.00 C ATOM 1175 C LEU A 76 -4.869 0.097 -1.151 1.00 0.00 C ATOM 1176 O LEU A 76 -4.736 0.353 -2.331 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.657 1.317 -0.035 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.168 0.005 0.529 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.870 -0.066 2.023 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.654 -0.076 0.277 1.00 0.00 C ATOM 0 H LEU A 76 -5.177 2.971 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.746 1.029 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.925 2.146 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.110 1.519 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.671 -0.835 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.239 -1.010 2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.794 -0.000 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.364 0.762 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.040 -1.014 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.152 0.760 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.844 -0.032 -0.795 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.781 -1.118 -0.730 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.518 -2.176 -1.714 1.00 0.00 C ATOM 1194 C ILE A 77 -5.270 -3.445 -1.334 1.00 0.00 C ATOM 1195 O ILE A 77 -4.927 -4.115 -0.381 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.021 -2.440 -1.729 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.294 -1.097 -1.877 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.674 -3.373 -2.892 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.864 -1.315 -2.378 1.00 0.00 C ATOM 0 H ILE A 77 -4.878 -1.421 0.239 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.857 -1.865 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.710 -2.921 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.836 -0.458 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.275 -0.579 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.600 -3.560 -2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.206 -4.317 -2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.968 -2.907 -3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.363 -0.352 -2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.320 -1.936 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.890 -1.812 -3.348 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.293 -3.794 -2.072 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.032 -5.036 -1.722 1.00 0.00 C ATOM 1213 C ARG A 78 -6.144 -6.234 -2.072 1.00 0.00 C ATOM 1214 O ARG A 78 -5.909 -6.530 -3.224 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.337 -5.108 -2.519 1.00 0.00 C ATOM 1216 CG ARG A 78 -8.913 -6.524 -2.444 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.100 -6.644 -3.403 1.00 0.00 C ATOM 1218 NE ARG A 78 -10.918 -5.400 -3.338 1.00 0.00 N ATOM 1219 CZ ARG A 78 -12.143 -5.448 -2.891 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -13.034 -6.177 -3.505 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -12.477 -4.766 -1.829 1.00 0.00 N ATOM 0 H ARG A 78 -6.640 -3.283 -2.884 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.274 -5.043 -0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.056 -4.392 -2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.155 -4.834 -3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.147 -7.254 -2.704 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.231 -6.745 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.744 -6.806 -4.421 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.710 -7.508 -3.138 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.521 -4.511 -3.643 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.773 -6.710 -4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.991 -6.214 -3.155 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.781 -4.196 -1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.434 -4.803 -1.479 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.650 -6.926 -1.079 1.00 0.00 N ATOM 1236 CA LYS A 79 -4.776 -8.100 -1.344 1.00 0.00 C ATOM 1237 C LYS A 79 -5.629 -9.199 -1.938 1.00 0.00 C ATOM 1238 O LYS A 79 -6.471 -9.752 -1.270 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.162 -8.584 -0.033 1.00 0.00 C ATOM 1240 CG LYS A 79 -2.711 -9.010 -0.269 1.00 0.00 C ATOM 1241 CD LYS A 79 -2.537 -10.477 0.131 1.00 0.00 C ATOM 1242 CE LYS A 79 -2.460 -11.343 -1.127 1.00 0.00 C ATOM 1243 NZ LYS A 79 -3.570 -12.338 -1.113 1.00 0.00 N ATOM 0 H LYS A 79 -5.817 -6.725 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.976 -7.828 -2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.201 -7.790 0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.737 -9.421 0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.447 -8.874 -1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.037 -8.381 0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.631 -10.598 0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.372 -10.796 0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.529 -10.718 -2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.499 -11.855 -1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.519 -12.928 -1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.484 -12.942 -0.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.483 -11.840 -1.090 1.00 0.00 H new ATOM 1257 N GLY A 80 -5.429 -9.499 -3.190 1.00 0.00 N ATOM 1258 CA GLY A 80 -6.235 -10.561 -3.847 1.00 0.00 C ATOM 1259 C GLY A 80 -6.042 -10.471 -5.356 1.00 0.00 C ATOM 1260 O GLY A 80 -5.639 -9.454 -5.883 1.00 0.00 O ATOM 0 H GLY A 80 -4.737 -9.050 -3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.929 -11.543 -3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.289 -10.444 -3.595 1.00 0.00 H new ATOM 1264 N GLY A 81 -6.333 -11.526 -6.052 1.00 0.00 N ATOM 1265 CA GLY A 81 -6.174 -11.517 -7.534 1.00 0.00 C ATOM 1266 C GLY A 81 -7.551 -11.446 -8.196 1.00 0.00 C ATOM 1267 O GLY A 81 -7.610 -11.074 -9.356 1.00 0.00 O ATOM 1268 OXT GLY A 81 -8.523 -11.765 -7.531 1.00 0.00 O ATOM 0 H GLY A 81 -6.677 -12.403 -5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.568 -10.664 -7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.649 -12.415 -7.859 1.00 0.00 H new TER 1272 GLY A 81