USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Single : A 1 GLN : amide:sc= 1.12 K(o=1.1,f=-0.15) USER MOD Single : A 7 TYR OH : rot 137:sc= 0.493 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0448) USER MOD Single : A -3 ALA N :NH3+ -122:sc= 0.227 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -26:sc= 0.251 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 122:sc= 0.505 USER MOD Single : A 26 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 27 ASN : amide:sc= 1.47 K(o=1.5,f=-7!) USER MOD Single : A 28 THR OG1 : rot -99:sc= 1.32 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0781 F(o=-2.6!,f=-0.078) USER MOD Single : A 44 LYS NZ :NH3+ 159:sc= 1.12 (180deg=0.89) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 77:sc= 0.172 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.034 F(o=-0.81,f=-0.034) USER MOD Single : A 53 MET CE :methyl 157:sc= -2.22 (180deg=-3.25!) USER MOD Single : A 58 MET CE :methyl 180:sc=-0.00202 (180deg=-0.00202) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 83:sc= 0.0143 USER MOD Single : A 68 LYS NZ :NH3+ -144:sc= 1.11 (180deg=0.233) USER MOD Single : A 74 MET CE :methyl -132:sc= 0 (180deg=-0.0784) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 146:sc= 1.1 (180deg=0.573) USER MOD Single : A 90 HEC O2A : rot 177:sc=-0.00164 USER MOD Single : A 90 HEC O2D : rot 179:sc=-0.00086 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 -0.590 -2.671 -16.812 1.00 10.00 N ATOM 2 CA ALA A -3 0.382 -2.455 -15.715 1.00 10.00 C ATOM 3 C ALA A -3 1.439 -3.564 -15.753 1.00 10.00 C ATOM 4 O ALA A -3 1.433 -4.318 -16.723 1.00 10.00 O ATOM 5 CB ALA A -3 -0.345 -2.379 -14.366 1.00 10.00 C ATOM 0 H1 ALA A -3 -0.610 -1.833 -17.428 1.00 10.00 H new ATOM 0 H2 ALA A -3 -0.307 -3.503 -17.368 1.00 10.00 H new ATOM 0 H3 ALA A -3 -1.537 -2.828 -16.411 1.00 10.00 H new ATOM 0 HA ALA A -3 0.894 -1.502 -15.847 1.00 10.00 H new ATOM 0 HB1 ALA A -3 0.382 -2.220 -13.569 1.00 10.00 H new ATOM 0 HB2 ALA A -3 -1.054 -1.551 -14.381 1.00 10.00 H new ATOM 0 HB3 ALA A -3 -0.880 -3.312 -14.188 1.00 10.00 H new ATOM 13 N ASP A -2 2.298 -3.670 -14.737 1.00 10.00 N ATOM 14 CA ASP A -2 3.334 -4.694 -14.657 1.00 10.00 C ATOM 15 C ASP A -2 3.857 -4.816 -13.215 1.00 10.00 C ATOM 16 O ASP A -2 4.188 -3.812 -12.582 1.00 10.00 O ATOM 17 CB ASP A -2 4.464 -4.399 -15.654 1.00 10.00 C ATOM 18 CG ASP A -2 5.514 -5.500 -15.642 1.00 10.00 C ATOM 19 OD1 ASP A -2 5.213 -6.576 -15.084 1.00 10.00 O ATOM 20 OD2 ASP A -2 6.613 -5.240 -16.172 1.00 10.00 O ATOM 0 H ASP A -2 2.291 -3.037 -13.937 1.00 10.00 H new ATOM 0 HA ASP A -2 2.902 -5.656 -14.932 1.00 10.00 H new ATOM 0 HB2 ASP A -2 4.050 -4.300 -16.657 1.00 10.00 H new ATOM 0 HB3 ASP A -2 4.931 -3.446 -15.406 1.00 10.00 H new ATOM 25 N LEU A -1 3.854 -6.043 -12.693 1.00 10.00 N ATOM 26 CA LEU A -1 4.294 -6.423 -11.359 1.00 10.00 C ATOM 27 C LEU A -1 5.567 -7.272 -11.482 1.00 10.00 C ATOM 28 O LEU A -1 5.563 -8.481 -11.269 1.00 10.00 O ATOM 29 CB LEU A -1 3.134 -7.148 -10.666 1.00 10.00 C ATOM 30 CG LEU A -1 3.487 -7.665 -9.261 1.00 10.00 C ATOM 31 CD1 LEU A -1 2.694 -6.937 -8.172 1.00 10.00 C ATOM 32 CD2 LEU A -1 3.196 -9.166 -9.198 1.00 10.00 C ATOM 0 H LEU A -1 3.522 -6.846 -13.228 1.00 10.00 H new ATOM 0 HA LEU A -1 4.553 -5.561 -10.745 1.00 10.00 H new ATOM 0 HB2 LEU A -1 2.284 -6.470 -10.592 1.00 10.00 H new ATOM 0 HB3 LEU A -1 2.819 -7.988 -11.285 1.00 10.00 H new ATOM 0 HG LEU A -1 4.545 -7.474 -9.079 1.00 10.00 H new ATOM 0 HD11 LEU A -1 2.972 -7.331 -7.194 1.00 10.00 H new ATOM 0 HD12 LEU A -1 2.917 -5.871 -8.210 1.00 10.00 H new ATOM 0 HD13 LEU A -1 1.627 -7.090 -8.335 1.00 10.00 H new ATOM 0 HD21 LEU A -1 3.443 -9.543 -8.206 1.00 10.00 H new ATOM 0 HD22 LEU A -1 2.139 -9.341 -9.400 1.00 10.00 H new ATOM 0 HD23 LEU A -1 3.798 -9.685 -9.944 1.00 10.00 H new ATOM 44 N GLN A 1 6.663 -6.599 -11.823 1.00 10.00 N ATOM 45 CA GLN A 1 8.015 -7.161 -11.851 1.00 10.00 C ATOM 46 C GLN A 1 8.848 -6.732 -10.640 1.00 10.00 C ATOM 47 O GLN A 1 9.791 -7.429 -10.272 1.00 10.00 O ATOM 48 CB GLN A 1 8.722 -6.756 -13.157 1.00 10.00 C ATOM 49 CG GLN A 1 8.494 -7.788 -14.267 1.00 10.00 C ATOM 50 CD GLN A 1 9.349 -7.497 -15.495 1.00 10.00 C ATOM 51 OE1 GLN A 1 10.421 -8.068 -15.664 1.00 10.00 O ATOM 52 NE2 GLN A 1 8.908 -6.616 -16.375 1.00 10.00 N ATOM 0 H GLN A 1 6.636 -5.617 -12.096 1.00 10.00 H new ATOM 0 HA GLN A 1 7.921 -8.246 -11.806 1.00 10.00 H new ATOM 0 HB2 GLN A 1 8.355 -5.783 -13.483 1.00 10.00 H new ATOM 0 HB3 GLN A 1 9.791 -6.648 -12.974 1.00 10.00 H new ATOM 0 HG2 GLN A 1 8.726 -8.784 -13.890 1.00 10.00 H new ATOM 0 HG3 GLN A 1 7.441 -7.791 -14.550 1.00 10.00 H new ATOM 0 HE21 GLN A 1 8.015 -6.147 -16.224 1.00 10.00 H new ATOM 0 HE22 GLN A 1 9.461 -6.404 -17.206 1.00 10.00 H new ATOM 61 N ASP A 2 8.513 -5.585 -10.044 1.00 10.00 N ATOM 62 CA ASP A 2 9.190 -5.060 -8.874 1.00 10.00 C ATOM 63 C ASP A 2 8.209 -4.251 -8.019 1.00 10.00 C ATOM 64 O ASP A 2 7.744 -3.183 -8.416 1.00 10.00 O ATOM 65 CB ASP A 2 10.389 -4.222 -9.336 1.00 10.00 C ATOM 66 CG ASP A 2 11.258 -3.727 -8.190 1.00 10.00 C ATOM 67 OD1 ASP A 2 10.760 -3.729 -7.043 1.00 10.00 O ATOM 68 OD2 ASP A 2 12.398 -3.325 -8.496 1.00 10.00 O ATOM 0 H ASP A 2 7.751 -4.992 -10.372 1.00 10.00 H new ATOM 0 HA ASP A 2 9.561 -5.871 -8.248 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.000 -4.818 -10.014 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.027 -3.365 -9.904 1.00 10.00 H new ATOM 73 N ALA A 3 7.911 -4.757 -6.832 1.00 10.00 N ATOM 74 CA ALA A 3 7.319 -4.051 -5.708 1.00 10.00 C ATOM 75 C ALA A 3 7.702 -2.563 -5.594 1.00 10.00 C ATOM 76 O ALA A 3 6.817 -1.722 -5.414 1.00 10.00 O ATOM 77 CB ALA A 3 7.737 -4.819 -4.466 1.00 10.00 C ATOM 0 H ALA A 3 8.089 -5.738 -6.615 1.00 10.00 H new ATOM 0 HA ALA A 3 6.238 -4.021 -5.845 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.321 -4.335 -3.582 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.366 -5.842 -4.529 1.00 10.00 H new ATOM 0 HB3 ALA A 3 8.825 -4.832 -4.395 1.00 10.00 H new ATOM 83 N GLU A 4 8.992 -2.215 -5.722 1.00 10.00 N ATOM 84 CA GLU A 4 9.419 -0.817 -5.772 1.00 10.00 C ATOM 85 C GLU A 4 8.752 -0.090 -6.936 1.00 10.00 C ATOM 86 O GLU A 4 8.150 0.966 -6.755 1.00 10.00 O ATOM 87 CB GLU A 4 10.947 -0.680 -5.836 1.00 10.00 C ATOM 88 CG GLU A 4 11.348 0.805 -5.982 1.00 10.00 C ATOM 89 CD GLU A 4 12.785 1.127 -5.577 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.565 0.177 -5.361 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.071 2.340 -5.472 1.00 10.00 O ATOM 0 H GLU A 4 9.755 -2.888 -5.793 1.00 10.00 H new ATOM 0 HA GLU A 4 9.098 -0.346 -4.843 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.394 -1.097 -4.934 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.335 -1.253 -6.678 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.203 1.105 -7.020 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.672 1.410 -5.378 1.00 10.00 H new ATOM 98 N ALA A 5 8.788 -0.685 -8.129 1.00 10.00 N ATOM 99 CA ALA A 5 8.225 -0.064 -9.322 1.00 10.00 C ATOM 100 C ALA A 5 6.703 0.024 -9.207 1.00 10.00 C ATOM 101 O ALA A 5 6.108 1.014 -9.618 1.00 10.00 O ATOM 102 CB ALA A 5 8.640 -0.843 -10.569 1.00 10.00 C ATOM 0 H ALA A 5 9.204 -1.602 -8.292 1.00 10.00 H new ATOM 0 HA ALA A 5 8.615 0.950 -9.411 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.213 -0.369 -11.453 1.00 10.00 H new ATOM 0 HB2 ALA A 5 9.727 -0.849 -10.649 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.276 -1.868 -10.496 1.00 10.00 H new ATOM 108 N ILE A 6 6.075 -0.959 -8.561 1.00 10.00 N ATOM 109 CA ILE A 6 4.640 -0.951 -8.325 1.00 10.00 C ATOM 110 C ILE A 6 4.293 0.196 -7.383 1.00 10.00 C ATOM 111 O ILE A 6 3.456 1.019 -7.746 1.00 10.00 O ATOM 112 CB ILE A 6 4.205 -2.315 -7.764 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.141 -3.330 -8.915 1.00 10.00 C ATOM 114 CG2 ILE A 6 2.890 -2.266 -6.966 1.00 10.00 C ATOM 115 CD1 ILE A 6 2.794 -3.324 -9.652 1.00 10.00 C ATOM 0 H ILE A 6 6.551 -1.781 -8.189 1.00 10.00 H new ATOM 0 HA ILE A 6 4.099 -0.792 -9.258 1.00 10.00 H new ATOM 0 HB ILE A 6 4.954 -2.630 -7.037 1.00 10.00 H new ATOM 0 HG12 ILE A 6 4.938 -3.114 -9.626 1.00 10.00 H new ATOM 0 HG13 ILE A 6 4.328 -4.329 -8.521 1.00 10.00 H new ATOM 0 HG21 ILE A 6 2.648 -3.265 -6.602 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.003 -1.589 -6.119 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.086 -1.910 -7.610 1.00 10.00 H new ATOM 0 HD11 ILE A 6 2.814 -4.063 -10.453 1.00 10.00 H new ATOM 0 HD12 ILE A 6 1.995 -3.569 -8.952 1.00 10.00 H new ATOM 0 HD13 ILE A 6 2.615 -2.335 -10.075 1.00 10.00 H new ATOM 127 N TYR A 7 4.958 0.340 -6.231 1.00 10.00 N ATOM 128 CA TYR A 7 4.579 1.452 -5.363 1.00 10.00 C ATOM 129 C TYR A 7 4.940 2.802 -5.992 1.00 10.00 C ATOM 130 O TYR A 7 4.143 3.732 -5.970 1.00 10.00 O ATOM 131 CB TYR A 7 5.043 1.274 -3.905 1.00 10.00 C ATOM 132 CG TYR A 7 6.302 2.019 -3.532 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.273 3.416 -3.344 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.516 1.328 -3.440 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.477 4.133 -3.246 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.717 2.046 -3.349 1.00 10.00 C ATOM 137 CZ TYR A 7 8.700 3.446 -3.276 1.00 10.00 C ATOM 138 OH TYR A 7 9.866 4.142 -3.212 1.00 10.00 O ATOM 0 H TYR A 7 5.713 -0.258 -5.896 1.00 10.00 H new ATOM 0 HA TYR A 7 3.492 1.446 -5.284 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.240 1.598 -3.243 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.201 0.212 -3.719 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.328 3.934 -3.276 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.527 0.248 -3.439 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.461 5.208 -3.148 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.659 1.518 -3.335 1.00 10.00 H new ATOM 0 HH TYR A 7 10.483 3.690 -2.599 1.00 10.00 H new ATOM 148 N ASN A 8 6.108 2.880 -6.625 1.00 10.00 N ATOM 149 CA ASN A 8 6.643 4.074 -7.263 1.00 10.00 C ATOM 150 C ASN A 8 5.856 4.487 -8.520 1.00 10.00 C ATOM 151 O ASN A 8 5.890 5.648 -8.909 1.00 10.00 O ATOM 152 CB ASN A 8 8.120 3.788 -7.546 1.00 10.00 C ATOM 153 CG ASN A 8 8.933 4.986 -7.996 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.687 6.121 -7.616 1.00 10.00 O ATOM 155 ND2 ASN A 8 9.960 4.727 -8.791 1.00 10.00 N ATOM 0 H ASN A 8 6.732 2.077 -6.709 1.00 10.00 H new ATOM 0 HA ASN A 8 6.542 4.937 -6.605 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.574 3.379 -6.644 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.184 3.016 -8.313 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.569 5.485 -9.101 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.142 3.770 -9.093 1.00 10.00 H new ATOM 162 N LYS A 9 5.144 3.558 -9.166 1.00 10.00 N ATOM 163 CA LYS A 9 4.220 3.825 -10.260 1.00 10.00 C ATOM 164 C LYS A 9 2.758 3.983 -9.785 1.00 10.00 C ATOM 165 O LYS A 9 1.977 4.653 -10.460 1.00 10.00 O ATOM 166 CB LYS A 9 4.414 2.730 -11.321 1.00 10.00 C ATOM 167 CG LYS A 9 3.625 3.000 -12.604 1.00 10.00 C ATOM 168 CD LYS A 9 2.392 2.086 -12.674 1.00 10.00 C ATOM 169 CE LYS A 9 1.201 2.820 -13.284 1.00 10.00 C ATOM 170 NZ LYS A 9 1.487 3.308 -14.652 1.00 10.00 N ATOM 0 H LYS A 9 5.201 2.567 -8.929 1.00 10.00 H new ATOM 0 HA LYS A 9 4.446 4.792 -10.709 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.474 2.648 -11.562 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.106 1.770 -10.906 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.314 4.044 -12.635 1.00 10.00 H new ATOM 0 HG3 LYS A 9 4.261 2.831 -13.473 1.00 10.00 H new ATOM 0 HD2 LYS A 9 2.623 1.203 -13.269 1.00 10.00 H new ATOM 0 HD3 LYS A 9 2.136 1.738 -11.673 1.00 10.00 H new ATOM 0 HE2 LYS A 9 0.340 2.153 -13.311 1.00 10.00 H new ATOM 0 HE3 LYS A 9 0.931 3.663 -12.648 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 0.614 3.679 -15.078 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 2.199 4.065 -14.609 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 1.849 2.524 -15.232 1.00 10.00 H new ATOM 184 N ALA A 10 2.368 3.348 -8.670 1.00 10.00 N ATOM 185 CA ALA A 10 0.983 3.280 -8.186 1.00 10.00 C ATOM 186 C ALA A 10 0.756 4.044 -6.874 1.00 10.00 C ATOM 187 O ALA A 10 0.035 5.042 -6.864 1.00 10.00 O ATOM 188 CB ALA A 10 0.521 1.826 -8.056 1.00 10.00 C ATOM 0 H ALA A 10 3.025 2.855 -8.065 1.00 10.00 H new ATOM 0 HA ALA A 10 0.374 3.781 -8.939 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.508 1.802 -7.696 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.576 1.338 -9.029 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.165 1.301 -7.350 1.00 10.00 H new ATOM 194 N CYS A 11 1.360 3.613 -5.758 1.00 10.00 N ATOM 195 CA CYS A 11 1.227 4.259 -4.447 1.00 10.00 C ATOM 196 C CYS A 11 2.084 5.559 -4.400 1.00 10.00 C ATOM 197 O CYS A 11 2.814 5.826 -3.447 1.00 10.00 O ATOM 198 CB CYS A 11 1.582 3.294 -3.316 1.00 10.00 C ATOM 199 SG CYS A 11 1.623 1.502 -3.652 1.00 10.00 S ATOM 0 H CYS A 11 1.965 2.792 -5.742 1.00 10.00 H new ATOM 0 HA CYS A 11 0.185 4.542 -4.300 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.564 3.579 -2.938 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.869 3.460 -2.508 1.00 10.00 H new ATOM 204 N THR A 12 2.010 6.385 -5.450 1.00 10.00 N ATOM 205 CA THR A 12 2.990 7.434 -5.746 1.00 10.00 C ATOM 206 C THR A 12 2.368 8.809 -5.996 1.00 10.00 C ATOM 207 O THR A 12 3.079 9.811 -6.007 1.00 10.00 O ATOM 208 CB THR A 12 3.827 7.016 -6.960 1.00 10.00 C ATOM 209 OG1 THR A 12 4.937 7.870 -7.060 1.00 10.00 O ATOM 210 CG2 THR A 12 3.045 7.078 -8.277 1.00 10.00 C ATOM 0 H THR A 12 1.252 6.341 -6.131 1.00 10.00 H new ATOM 0 HA THR A 12 3.613 7.539 -4.858 1.00 10.00 H new ATOM 0 HB THR A 12 4.126 5.979 -6.804 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.723 8.734 -6.651 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.692 6.771 -9.099 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.186 6.410 -8.222 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.701 8.098 -8.448 1.00 10.00 H new ATOM 218 N VAL A 13 1.054 8.862 -6.229 1.00 10.00 N ATOM 219 CA VAL A 13 0.322 10.093 -6.543 1.00 10.00 C ATOM 220 C VAL A 13 -0.335 10.638 -5.270 1.00 10.00 C ATOM 221 O VAL A 13 -0.282 11.827 -4.969 1.00 10.00 O ATOM 222 CB VAL A 13 -0.690 9.839 -7.682 1.00 10.00 C ATOM 223 CG1 VAL A 13 0.018 9.275 -8.921 1.00 10.00 C ATOM 224 CG2 VAL A 13 -1.830 8.883 -7.305 1.00 10.00 C ATOM 0 H VAL A 13 0.457 8.035 -6.204 1.00 10.00 H new ATOM 0 HA VAL A 13 1.010 10.857 -6.905 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.131 10.814 -7.889 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -0.713 9.103 -9.711 1.00 10.00 H new ATOM 0 HG12 VAL A 13 0.767 9.987 -9.268 1.00 10.00 H new ATOM 0 HG13 VAL A 13 0.504 8.333 -8.665 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -2.497 8.757 -8.158 1.00 10.00 H new ATOM 0 HG22 VAL A 13 -1.415 7.915 -7.023 1.00 10.00 H new ATOM 0 HG23 VAL A 13 -2.389 9.297 -6.466 1.00 10.00 H new ATOM 234 N CYS A 14 -0.915 9.716 -4.501 1.00 10.00 N ATOM 235 CA CYS A 14 -1.568 9.934 -3.227 1.00 10.00 C ATOM 236 C CYS A 14 -0.537 9.897 -2.087 1.00 10.00 C ATOM 237 O CYS A 14 -0.284 10.898 -1.417 1.00 10.00 O ATOM 238 CB CYS A 14 -2.596 8.831 -3.103 1.00 10.00 C ATOM 239 SG CYS A 14 -4.145 9.162 -3.994 1.00 10.00 S ATOM 0 H CYS A 14 -0.938 8.734 -4.778 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.046 10.912 -3.166 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.165 7.902 -3.477 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -2.822 8.675 -2.048 1.00 10.00 H new ATOM 244 N HIS A 15 0.090 8.738 -1.880 1.00 10.00 N ATOM 245 CA HIS A 15 0.853 8.431 -0.669 1.00 10.00 C ATOM 246 C HIS A 15 2.202 9.164 -0.588 1.00 10.00 C ATOM 247 O HIS A 15 2.723 9.402 0.504 1.00 10.00 O ATOM 248 CB HIS A 15 1.080 6.921 -0.627 1.00 10.00 C ATOM 249 CG HIS A 15 -0.092 6.117 -0.137 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.082 5.375 1.012 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.220 5.791 -0.841 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.177 4.596 0.994 1.00 10.00 C ATOM 253 NE2 HIS A 15 -1.919 4.819 -0.107 1.00 10.00 N ATOM 0 H HIS A 15 0.082 7.976 -2.558 1.00 10.00 H new ATOM 0 HA HIS A 15 0.274 8.777 0.187 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.342 6.580 -1.628 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.937 6.715 0.015 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.625 5.407 1.746 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.519 6.207 -1.792 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.429 3.882 1.764 1.00 10.00 H new ATOM 261 N SER A 16 2.769 9.522 -1.744 1.00 10.00 N ATOM 262 CA SER A 16 4.059 10.203 -1.843 1.00 10.00 C ATOM 263 C SER A 16 4.062 11.500 -1.031 1.00 10.00 C ATOM 264 O SER A 16 4.962 11.733 -0.225 1.00 10.00 O ATOM 265 CB SER A 16 4.389 10.472 -3.316 1.00 10.00 C ATOM 266 OG SER A 16 5.597 11.200 -3.422 1.00 10.00 O ATOM 0 H SER A 16 2.336 9.343 -2.650 1.00 10.00 H new ATOM 0 HA SER A 16 4.830 9.557 -1.423 1.00 10.00 H new ATOM 0 HB2 SER A 16 4.476 9.528 -3.855 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.577 11.031 -3.782 1.00 10.00 H new ATOM 0 HG SER A 16 5.798 11.364 -4.367 1.00 10.00 H new ATOM 272 N MET A 17 3.025 12.323 -1.229 1.00 10.00 N ATOM 273 CA MET A 17 2.878 13.617 -0.566 1.00 10.00 C ATOM 274 C MET A 17 1.694 13.642 0.419 1.00 10.00 C ATOM 275 O MET A 17 1.555 14.593 1.184 1.00 10.00 O ATOM 276 CB MET A 17 2.780 14.702 -1.649 1.00 10.00 C ATOM 277 CG MET A 17 4.124 14.884 -2.377 1.00 10.00 C ATOM 278 SD MET A 17 5.423 15.731 -1.439 1.00 10.00 S ATOM 279 CE MET A 17 6.830 15.470 -2.534 1.00 10.00 C ATOM 0 H MET A 17 2.257 12.103 -1.863 1.00 10.00 H new ATOM 0 HA MET A 17 3.753 13.812 0.055 1.00 10.00 H new ATOM 0 HB2 MET A 17 2.007 14.433 -2.369 1.00 10.00 H new ATOM 0 HB3 MET A 17 2.478 15.646 -1.196 1.00 10.00 H new ATOM 0 HG2 MET A 17 4.494 13.901 -2.667 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.945 15.441 -3.297 1.00 10.00 H new ATOM 0 HE1 MET A 17 7.718 15.932 -2.102 1.00 10.00 H new ATOM 0 HE2 MET A 17 7.001 14.401 -2.658 1.00 10.00 H new ATOM 0 HE3 MET A 17 6.623 15.919 -3.505 1.00 10.00 H new ATOM 289 N GLY A 18 0.845 12.605 0.427 1.00 10.00 N ATOM 290 CA GLY A 18 -0.324 12.529 1.305 1.00 10.00 C ATOM 291 C GLY A 18 -1.521 13.296 0.731 1.00 10.00 C ATOM 292 O GLY A 18 -2.228 14.006 1.443 1.00 10.00 O ATOM 0 H GLY A 18 0.953 11.792 -0.180 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.599 11.485 1.453 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -0.069 12.934 2.284 1.00 10.00 H new ATOM 296 N VAL A 19 -1.749 13.144 -0.574 1.00 10.00 N ATOM 297 CA VAL A 19 -2.840 13.768 -1.312 1.00 10.00 C ATOM 298 C VAL A 19 -4.070 12.851 -1.262 1.00 10.00 C ATOM 299 O VAL A 19 -3.983 11.679 -0.897 1.00 10.00 O ATOM 300 CB VAL A 19 -2.364 14.107 -2.741 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.435 14.824 -3.574 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.129 15.017 -2.681 1.00 10.00 C ATOM 0 H VAL A 19 -1.156 12.561 -1.165 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.140 14.713 -0.859 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.135 13.155 -3.219 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.041 15.036 -4.568 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.315 14.187 -3.660 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.710 15.759 -3.086 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -0.800 15.251 -3.693 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.382 15.940 -2.159 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.327 14.507 -2.148 1.00 10.00 H new ATOM 312 N ALA A 20 -5.247 13.413 -1.540 1.00 10.00 N ATOM 313 CA ALA A 20 -6.535 12.722 -1.454 1.00 10.00 C ATOM 314 C ALA A 20 -6.840 12.138 -0.059 1.00 10.00 C ATOM 315 O ALA A 20 -7.697 11.269 0.074 1.00 10.00 O ATOM 316 CB ALA A 20 -6.634 11.669 -2.563 1.00 10.00 C ATOM 0 H ALA A 20 -5.334 14.385 -1.838 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.313 13.470 -1.607 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.594 11.158 -2.495 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.550 12.155 -3.535 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -5.828 10.944 -2.449 1.00 10.00 H new ATOM 322 N GLY A 21 -6.137 12.617 0.975 1.00 10.00 N ATOM 323 CA GLY A 21 -6.236 12.124 2.349 1.00 10.00 C ATOM 324 C GLY A 21 -5.356 10.899 2.632 1.00 10.00 C ATOM 325 O GLY A 21 -5.518 10.257 3.664 1.00 10.00 O ATOM 0 H GLY A 21 -5.466 13.379 0.873 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.958 12.925 3.034 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -7.275 11.870 2.560 1.00 10.00 H new ATOM 329 N ALA A 22 -4.437 10.547 1.729 1.00 10.00 N ATOM 330 CA ALA A 22 -3.639 9.330 1.847 1.00 10.00 C ATOM 331 C ALA A 22 -2.587 9.385 2.968 1.00 10.00 C ATOM 332 O ALA A 22 -2.098 10.463 3.312 1.00 10.00 O ATOM 333 CB ALA A 22 -2.999 9.065 0.491 1.00 10.00 C ATOM 0 H ALA A 22 -4.227 11.099 0.897 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.297 8.510 2.133 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.394 8.160 0.545 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.778 8.936 -0.260 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.366 9.909 0.216 1.00 10.00 H new ATOM 339 N PRO A 23 -2.216 8.228 3.541 1.00 10.00 N ATOM 340 CA PRO A 23 -1.295 8.157 4.662 1.00 10.00 C ATOM 341 C PRO A 23 0.150 8.362 4.194 1.00 10.00 C ATOM 342 O PRO A 23 0.563 7.826 3.164 1.00 10.00 O ATOM 343 CB PRO A 23 -1.511 6.764 5.253 1.00 10.00 C ATOM 344 CG PRO A 23 -1.842 5.930 4.017 1.00 10.00 C ATOM 345 CD PRO A 23 -2.684 6.896 3.189 1.00 10.00 C ATOM 0 HA PRO A 23 -1.474 8.937 5.401 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.621 6.397 5.764 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.323 6.753 5.980 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -0.944 5.616 3.486 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.394 5.026 4.273 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.561 6.707 2.123 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.745 6.782 3.413 1.00 10.00 H new ATOM 353 N LYS A 24 0.925 9.132 4.965 1.00 10.00 N ATOM 354 CA LYS A 24 2.280 9.552 4.610 1.00 10.00 C ATOM 355 C LYS A 24 3.190 8.378 4.223 1.00 10.00 C ATOM 356 O LYS A 24 3.362 7.449 5.018 1.00 10.00 O ATOM 357 CB LYS A 24 2.913 10.311 5.789 1.00 10.00 C ATOM 358 CG LYS A 24 3.458 11.695 5.414 1.00 10.00 C ATOM 359 CD LYS A 24 4.362 12.206 6.548 1.00 10.00 C ATOM 360 CE LYS A 24 5.805 11.714 6.344 1.00 10.00 C ATOM 361 NZ LYS A 24 6.599 11.795 7.589 1.00 10.00 N ATOM 0 H LYS A 24 0.619 9.487 5.871 1.00 10.00 H new ATOM 0 HA LYS A 24 2.190 10.197 3.736 1.00 10.00 H new ATOM 0 HB2 LYS A 24 2.169 10.425 6.577 1.00 10.00 H new ATOM 0 HB3 LYS A 24 3.724 9.711 6.202 1.00 10.00 H new ATOM 0 HG2 LYS A 24 4.021 11.637 4.482 1.00 10.00 H new ATOM 0 HG3 LYS A 24 2.635 12.390 5.247 1.00 10.00 H new ATOM 0 HD2 LYS A 24 4.343 13.295 6.575 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.984 11.857 7.509 1.00 10.00 H new ATOM 0 HE2 LYS A 24 5.790 10.683 5.990 1.00 10.00 H new ATOM 0 HE3 LYS A 24 6.285 12.310 5.568 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 7.565 11.454 7.408 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 6.636 12.782 7.914 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 6.156 11.206 8.322 1.00 10.00 H new ATOM 375 N SER A 25 3.819 8.489 3.050 1.00 10.00 N ATOM 376 CA SER A 25 4.863 7.619 2.495 1.00 10.00 C ATOM 377 C SER A 25 5.260 6.427 3.374 1.00 10.00 C ATOM 378 O SER A 25 4.758 5.324 3.187 1.00 10.00 O ATOM 379 CB SER A 25 6.079 8.483 2.123 1.00 10.00 C ATOM 380 OG SER A 25 6.628 9.106 3.279 1.00 10.00 O ATOM 0 H SER A 25 3.594 9.251 2.411 1.00 10.00 H new ATOM 0 HA SER A 25 4.440 7.147 1.608 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.837 7.864 1.643 1.00 10.00 H new ATOM 0 HB3 SER A 25 5.783 9.243 1.400 1.00 10.00 H new ATOM 0 HG SER A 25 7.567 8.844 3.377 1.00 10.00 H new ATOM 386 N HIS A 26 6.137 6.654 4.351 1.00 10.00 N ATOM 387 CA HIS A 26 6.464 5.687 5.384 1.00 10.00 C ATOM 388 C HIS A 26 6.725 6.406 6.714 1.00 10.00 C ATOM 389 O HIS A 26 7.676 7.167 6.868 1.00 10.00 O ATOM 390 CB HIS A 26 7.590 4.748 4.928 1.00 10.00 C ATOM 391 CG HIS A 26 8.993 5.273 5.081 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.938 4.769 5.943 1.00 10.00 N ATOM 393 CD2 HIS A 26 9.538 6.361 4.455 1.00 10.00 C ATOM 394 CE1 HIS A 26 11.028 5.547 5.846 1.00 10.00 C ATOM 395 NE2 HIS A 26 10.834 6.529 4.950 1.00 10.00 N ATOM 0 H HIS A 26 6.646 7.533 4.444 1.00 10.00 H new ATOM 0 HA HIS A 26 5.612 5.030 5.562 1.00 10.00 H new ATOM 0 HB2 HIS A 26 7.509 3.817 5.489 1.00 10.00 H new ATOM 0 HB3 HIS A 26 7.428 4.502 3.878 1.00 10.00 H new ATOM 0 HD2 HIS A 26 9.054 6.978 3.713 1.00 10.00 H new ATOM 0 HE1 HIS A 26 11.937 5.403 6.411 1.00 10.00 H new ATOM 0 HE2 HIS A 26 11.501 7.254 4.684 1.00 10.00 H new ATOM 403 N ASN A 27 5.816 6.213 7.666 1.00 10.00 N ATOM 404 CA ASN A 27 5.912 6.688 9.035 1.00 10.00 C ATOM 405 C ASN A 27 5.666 5.531 10.018 1.00 10.00 C ATOM 406 O ASN A 27 5.430 4.408 9.583 1.00 10.00 O ATOM 407 CB ASN A 27 4.907 7.830 9.205 1.00 10.00 C ATOM 408 CG ASN A 27 3.460 7.456 8.939 1.00 10.00 C ATOM 409 OD1 ASN A 27 2.722 7.208 9.876 1.00 10.00 O ATOM 410 ND2 ASN A 27 3.002 7.408 7.698 1.00 10.00 N ATOM 0 H ASN A 27 4.954 5.697 7.491 1.00 10.00 H new ATOM 0 HA ASN A 27 6.911 7.065 9.253 1.00 10.00 H new ATOM 0 HB2 ASN A 27 4.986 8.215 10.222 1.00 10.00 H new ATOM 0 HB3 ASN A 27 5.186 8.642 8.534 1.00 10.00 H new ATOM 0 HD21 ASN A 27 2.028 7.163 7.523 1.00 10.00 H new ATOM 0 HD22 ASN A 27 3.624 7.616 6.917 1.00 10.00 H new ATOM 417 N THR A 28 5.684 5.797 11.329 1.00 10.00 N ATOM 418 CA THR A 28 5.247 4.806 12.322 1.00 10.00 C ATOM 419 C THR A 28 3.813 5.061 12.799 1.00 10.00 C ATOM 420 O THR A 28 3.055 4.120 12.964 1.00 10.00 O ATOM 421 CB THR A 28 6.235 4.747 13.497 1.00 10.00 C ATOM 422 OG1 THR A 28 5.900 3.684 14.360 1.00 10.00 O ATOM 423 CG2 THR A 28 6.317 6.035 14.323 1.00 10.00 C ATOM 0 H THR A 28 5.994 6.684 11.726 1.00 10.00 H new ATOM 0 HA THR A 28 5.241 3.831 11.835 1.00 10.00 H new ATOM 0 HB THR A 28 7.213 4.599 13.040 1.00 10.00 H new ATOM 0 HG1 THR A 28 5.398 4.031 15.127 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.037 5.904 15.130 1.00 10.00 H new ATOM 0 HG22 THR A 28 6.635 6.858 13.683 1.00 10.00 H new ATOM 0 HG23 THR A 28 5.337 6.260 14.744 1.00 10.00 H new ATOM 431 N ALA A 29 3.364 6.317 12.875 1.00 10.00 N ATOM 432 CA ALA A 29 2.081 6.662 13.492 1.00 10.00 C ATOM 433 C ALA A 29 0.862 6.011 12.822 1.00 10.00 C ATOM 434 O ALA A 29 0.038 5.371 13.469 1.00 10.00 O ATOM 435 CB ALA A 29 1.938 8.180 13.466 1.00 10.00 C ATOM 0 H ALA A 29 3.878 7.120 12.512 1.00 10.00 H new ATOM 0 HA ALA A 29 2.095 6.271 14.509 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.989 8.464 13.921 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.758 8.632 14.025 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.965 8.530 12.434 1.00 10.00 H new ATOM 441 N ASP A 30 0.732 6.189 11.509 1.00 10.00 N ATOM 442 CA ASP A 30 -0.377 5.662 10.736 1.00 10.00 C ATOM 443 C ASP A 30 -0.166 4.168 10.423 1.00 10.00 C ATOM 444 O ASP A 30 -1.108 3.430 10.131 1.00 10.00 O ATOM 445 CB ASP A 30 -0.521 6.527 9.482 1.00 10.00 C ATOM 446 CG ASP A 30 -1.810 6.165 8.778 1.00 10.00 C ATOM 447 OD1 ASP A 30 -2.882 6.652 9.172 1.00 10.00 O ATOM 448 OD2 ASP A 30 -1.717 5.286 7.902 1.00 10.00 O ATOM 0 H ASP A 30 1.406 6.711 10.950 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.308 5.709 11.301 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -0.523 7.583 9.752 1.00 10.00 H new ATOM 0 HB3 ASP A 30 0.328 6.370 8.817 1.00 10.00 H new ATOM 453 N TRP A 31 1.086 3.710 10.469 1.00 10.00 N ATOM 454 CA TRP A 31 1.434 2.302 10.312 1.00 10.00 C ATOM 455 C TRP A 31 1.205 1.490 11.617 1.00 10.00 C ATOM 456 O TRP A 31 0.839 0.318 11.556 1.00 10.00 O ATOM 457 CB TRP A 31 2.852 2.232 9.721 1.00 10.00 C ATOM 458 CG TRP A 31 2.981 2.772 8.306 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.046 4.081 7.970 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.050 2.062 7.027 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.081 4.242 6.602 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.079 3.023 5.969 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.073 0.705 6.641 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.082 2.665 4.616 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.036 0.335 5.281 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.026 1.309 4.275 1.00 10.00 C ATOM 0 H TRP A 31 1.894 4.315 10.618 1.00 10.00 H new ATOM 0 HA TRP A 31 0.765 1.806 9.609 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.529 2.788 10.370 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.183 1.194 9.730 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.068 4.894 8.681 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.105 5.143 6.125 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.120 -0.062 7.399 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.127 3.423 3.848 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.015 -0.711 5.012 1.00 10.00 H new ATOM 0 HH2 TRP A 31 2.975 1.014 3.237 1.00 10.00 H new ATOM 477 N GLU A 32 1.319 2.104 12.801 1.00 10.00 N ATOM 478 CA GLU A 32 1.133 1.472 14.115 1.00 10.00 C ATOM 479 C GLU A 32 -0.132 0.599 14.244 1.00 10.00 C ATOM 480 O GLU A 32 -0.013 -0.610 14.458 1.00 10.00 O ATOM 481 CB GLU A 32 1.216 2.544 15.216 1.00 10.00 C ATOM 482 CG GLU A 32 2.649 2.665 15.764 1.00 10.00 C ATOM 483 CD GLU A 32 2.943 4.040 16.345 1.00 10.00 C ATOM 484 OE1 GLU A 32 2.086 4.544 17.100 1.00 10.00 O ATOM 485 OE2 GLU A 32 4.031 4.561 16.015 1.00 10.00 O ATOM 0 H GLU A 32 1.553 3.094 12.874 1.00 10.00 H new ATOM 0 HA GLU A 32 1.948 0.758 14.236 1.00 10.00 H new ATOM 0 HB2 GLU A 32 0.894 3.506 14.817 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.533 2.291 16.027 1.00 10.00 H new ATOM 0 HG2 GLU A 32 2.804 1.909 16.534 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.358 2.454 14.964 1.00 10.00 H new ATOM 492 N PRO A 33 -1.352 1.147 14.090 1.00 10.00 N ATOM 493 CA PRO A 33 -2.579 0.358 14.193 1.00 10.00 C ATOM 494 C PRO A 33 -2.682 -0.732 13.114 1.00 10.00 C ATOM 495 O PRO A 33 -3.471 -1.667 13.236 1.00 10.00 O ATOM 496 CB PRO A 33 -3.721 1.376 14.094 1.00 10.00 C ATOM 497 CG PRO A 33 -3.108 2.522 13.289 1.00 10.00 C ATOM 498 CD PRO A 33 -1.660 2.535 13.775 1.00 10.00 C ATOM 0 HA PRO A 33 -2.609 -0.196 15.131 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.592 0.954 13.593 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -4.049 1.708 15.079 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -3.174 2.344 12.216 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.610 3.469 13.486 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.990 2.923 13.007 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.544 3.173 14.651 1.00 10.00 H new ATOM 506 N ARG A 34 -1.879 -0.635 12.052 1.00 10.00 N ATOM 507 CA ARG A 34 -1.842 -1.585 10.950 1.00 10.00 C ATOM 508 C ARG A 34 -0.943 -2.769 11.360 1.00 10.00 C ATOM 509 O ARG A 34 -1.349 -3.931 11.281 1.00 10.00 O ATOM 510 CB ARG A 34 -1.366 -0.844 9.684 1.00 10.00 C ATOM 511 CG ARG A 34 -2.026 0.546 9.496 1.00 10.00 C ATOM 512 CD ARG A 34 -3.401 0.451 8.825 1.00 10.00 C ATOM 513 NE ARG A 34 -4.417 1.374 9.373 1.00 10.00 N ATOM 514 CZ ARG A 34 -4.538 2.692 9.156 1.00 10.00 C ATOM 515 NH1 ARG A 34 -3.481 3.467 8.956 1.00 10.00 N ATOM 516 NH2 ARG A 34 -5.745 3.241 9.152 1.00 10.00 N ATOM 0 H ARG A 34 -1.218 0.133 11.937 1.00 10.00 H new ATOM 0 HA ARG A 34 -2.824 -1.999 10.721 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.284 -0.720 9.730 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.579 -1.460 8.810 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.131 1.030 10.467 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.373 1.177 8.893 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.285 0.650 7.759 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -3.768 -0.571 8.921 1.00 10.00 H new ATOM 0 HE ARG A 34 -5.112 0.957 9.993 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -2.544 3.064 8.965 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -3.605 4.466 8.793 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.569 2.662 9.313 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -5.849 4.242 8.988 1.00 10.00 H new ATOM 530 N LEU A 35 0.230 -2.446 11.919 1.00 10.00 N ATOM 531 CA LEU A 35 1.192 -3.376 12.524 1.00 10.00 C ATOM 532 C LEU A 35 0.616 -4.104 13.751 1.00 10.00 C ATOM 533 O LEU A 35 1.143 -5.132 14.168 1.00 10.00 O ATOM 534 CB LEU A 35 2.475 -2.602 12.910 1.00 10.00 C ATOM 535 CG LEU A 35 3.753 -3.142 12.248 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.921 -2.180 12.497 1.00 10.00 C ATOM 537 CD2 LEU A 35 4.130 -4.528 12.768 1.00 10.00 C ATOM 0 H LEU A 35 0.550 -1.479 11.964 1.00 10.00 H new ATOM 0 HA LEU A 35 1.425 -4.144 11.786 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.351 -1.554 12.637 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.596 -2.637 13.993 1.00 10.00 H new ATOM 0 HG LEU A 35 3.550 -3.224 11.180 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.822 -2.571 12.024 1.00 10.00 H new ATOM 0 HD12 LEU A 35 4.684 -1.203 12.075 1.00 10.00 H new ATOM 0 HD13 LEU A 35 5.088 -2.081 13.570 1.00 10.00 H new ATOM 0 HD21 LEU A 35 5.039 -4.868 12.272 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.301 -4.479 13.843 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.320 -5.227 12.561 1.00 10.00 H new ATOM 549 N ALA A 36 -0.468 -3.577 14.329 1.00 10.00 N ATOM 550 CA ALA A 36 -1.164 -4.165 15.462 1.00 10.00 C ATOM 551 C ALA A 36 -2.134 -5.239 14.969 1.00 10.00 C ATOM 552 O ALA A 36 -2.345 -6.243 15.643 1.00 10.00 O ATOM 553 CB ALA A 36 -1.898 -3.064 16.232 1.00 10.00 C ATOM 0 H ALA A 36 -0.891 -2.706 14.008 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.450 -4.639 16.135 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -2.421 -3.501 17.082 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -1.178 -2.327 16.589 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.618 -2.578 15.574 1.00 10.00 H new ATOM 559 N LYS A 37 -2.706 -5.034 13.775 1.00 10.00 N ATOM 560 CA LYS A 37 -3.506 -6.051 13.114 1.00 10.00 C ATOM 561 C LYS A 37 -2.616 -7.157 12.523 1.00 10.00 C ATOM 562 O LYS A 37 -2.833 -8.335 12.793 1.00 10.00 O ATOM 563 CB LYS A 37 -4.455 -5.411 12.089 1.00 10.00 C ATOM 564 CG LYS A 37 -5.538 -4.597 12.814 1.00 10.00 C ATOM 565 CD LYS A 37 -6.695 -4.179 11.892 1.00 10.00 C ATOM 566 CE LYS A 37 -6.313 -3.009 10.977 1.00 10.00 C ATOM 567 NZ LYS A 37 -7.462 -2.581 10.146 1.00 10.00 N ATOM 0 H LYS A 37 -2.623 -4.163 13.251 1.00 10.00 H new ATOM 0 HA LYS A 37 -4.139 -6.543 13.852 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.893 -4.765 11.414 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.918 -6.185 11.477 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.935 -5.186 13.641 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -5.085 -3.705 13.247 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.998 -5.031 11.283 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -7.557 -3.898 12.498 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -5.965 -2.171 11.581 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -5.485 -3.303 10.333 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -7.174 -1.788 9.537 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -7.777 -3.376 9.554 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -8.243 -2.278 10.763 1.00 10.00 H new ATOM 581 N GLY A 38 -1.603 -6.777 11.738 1.00 10.00 N ATOM 582 CA GLY A 38 -0.557 -7.695 11.282 1.00 10.00 C ATOM 583 C GLY A 38 0.121 -7.222 9.993 1.00 10.00 C ATOM 584 O GLY A 38 0.922 -6.293 10.023 1.00 10.00 O ATOM 0 H GLY A 38 -1.486 -5.822 11.401 1.00 10.00 H new ATOM 0 HA2 GLY A 38 0.194 -7.802 12.065 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -0.991 -8.682 11.119 1.00 10.00 H new ATOM 588 N VAL A 39 -0.217 -7.858 8.866 1.00 10.00 N ATOM 589 CA VAL A 39 0.264 -7.477 7.534 1.00 10.00 C ATOM 590 C VAL A 39 -0.800 -7.774 6.477 1.00 10.00 C ATOM 591 O VAL A 39 -1.330 -6.870 5.827 1.00 10.00 O ATOM 592 CB VAL A 39 1.601 -8.163 7.163 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.634 -7.083 6.838 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.166 -9.115 8.227 1.00 10.00 C ATOM 0 H VAL A 39 -0.842 -8.664 8.854 1.00 10.00 H new ATOM 0 HA VAL A 39 0.455 -6.404 7.561 1.00 10.00 H new ATOM 0 HB VAL A 39 1.386 -8.796 6.302 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.581 -7.553 6.575 1.00 10.00 H new ATOM 0 HG12 VAL A 39 2.281 -6.483 5.999 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.776 -6.442 7.708 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.103 -9.544 7.871 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.347 -8.563 9.150 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.450 -9.915 8.417 1.00 10.00 H new ATOM 604 N ASP A 40 -1.162 -9.051 6.337 1.00 10.00 N ATOM 605 CA ASP A 40 -2.011 -9.575 5.274 1.00 10.00 C ATOM 606 C ASP A 40 -3.505 -9.262 5.484 1.00 10.00 C ATOM 607 O ASP A 40 -4.381 -10.058 5.150 1.00 10.00 O ATOM 608 CB ASP A 40 -1.770 -11.084 5.157 1.00 10.00 C ATOM 609 CG ASP A 40 -0.308 -11.486 5.282 1.00 10.00 C ATOM 610 OD1 ASP A 40 0.222 -11.300 6.402 1.00 10.00 O ATOM 611 OD2 ASP A 40 0.245 -11.952 4.265 1.00 10.00 O ATOM 0 H ASP A 40 -0.858 -9.774 6.989 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.740 -9.077 4.343 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.344 -11.595 5.930 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.151 -11.429 4.196 1.00 10.00 H new ATOM 616 N ASN A 41 -3.784 -8.076 6.022 1.00 10.00 N ATOM 617 CA ASN A 41 -5.102 -7.577 6.381 1.00 10.00 C ATOM 618 C ASN A 41 -5.391 -6.429 5.411 1.00 10.00 C ATOM 619 O ASN A 41 -6.379 -6.422 4.685 1.00 10.00 O ATOM 620 CB ASN A 41 -5.104 -7.061 7.843 1.00 10.00 C ATOM 621 CG ASN A 41 -3.911 -7.496 8.689 1.00 10.00 C ATOM 622 OD1 ASN A 41 -3.130 -6.544 9.180 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -3.666 -8.673 8.910 1.00 10.00 N flip ATOM 0 H ASN A 41 -3.049 -7.400 6.230 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.859 -8.359 6.315 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -5.139 -5.972 7.826 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.018 -7.402 8.330 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.271 -9.400 8.529 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -2.856 -8.928 9.475 1.00 10.00 H new ATOM 630 N LEU A 42 -4.465 -5.469 5.361 1.00 10.00 N ATOM 631 CA LEU A 42 -4.573 -4.272 4.545 1.00 10.00 C ATOM 632 C LEU A 42 -4.212 -4.552 3.080 1.00 10.00 C ATOM 633 O LEU A 42 -4.860 -4.018 2.179 1.00 10.00 O ATOM 634 CB LEU A 42 -3.669 -3.196 5.142 1.00 10.00 C ATOM 635 CG LEU A 42 -4.111 -2.537 6.465 1.00 10.00 C ATOM 636 CD1 LEU A 42 -5.624 -2.332 6.573 1.00 10.00 C ATOM 637 CD2 LEU A 42 -3.599 -3.304 7.684 1.00 10.00 C ATOM 0 H LEU A 42 -3.601 -5.510 5.902 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.607 -3.926 4.547 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.684 -3.636 5.300 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -3.551 -2.408 4.398 1.00 10.00 H new ATOM 0 HG LEU A 42 -3.654 -1.547 6.452 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -5.861 -1.864 7.529 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -5.963 -1.689 5.761 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -6.128 -3.296 6.506 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -3.933 -2.806 8.594 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.989 -4.322 7.664 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -2.510 -3.332 7.665 1.00 10.00 H new ATOM 649 N VAL A 43 -3.267 -5.465 2.820 1.00 10.00 N ATOM 650 CA VAL A 43 -2.981 -5.954 1.468 1.00 10.00 C ATOM 651 C VAL A 43 -4.182 -6.711 0.867 1.00 10.00 C ATOM 652 O VAL A 43 -4.217 -7.010 -0.323 1.00 10.00 O ATOM 653 CB VAL A 43 -1.697 -6.796 1.490 1.00 10.00 C ATOM 654 CG1 VAL A 43 -1.980 -8.270 1.758 1.00 10.00 C ATOM 655 CG2 VAL A 43 -0.893 -6.665 0.191 1.00 10.00 C ATOM 0 H VAL A 43 -2.680 -5.884 3.542 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.814 -5.102 0.808 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.101 -6.397 2.311 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.042 -8.825 1.764 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.471 -8.376 2.725 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.630 -8.664 0.976 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.005 -7.279 0.256 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.502 -7.000 -0.649 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.610 -5.623 0.042 1.00 10.00 H new ATOM 665 N LYS A 44 -5.193 -7.024 1.687 1.00 10.00 N ATOM 666 CA LYS A 44 -6.510 -7.405 1.181 1.00 10.00 C ATOM 667 C LYS A 44 -7.327 -6.166 0.746 1.00 10.00 C ATOM 668 O LYS A 44 -7.898 -6.147 -0.340 1.00 10.00 O ATOM 669 CB LYS A 44 -7.275 -8.281 2.186 1.00 10.00 C ATOM 670 CG LYS A 44 -6.452 -9.354 2.921 1.00 10.00 C ATOM 671 CD LYS A 44 -5.984 -10.579 2.104 1.00 10.00 C ATOM 672 CE LYS A 44 -4.511 -10.476 1.673 1.00 10.00 C ATOM 673 NZ LYS A 44 -3.915 -11.777 1.283 1.00 10.00 N ATOM 0 H LYS A 44 -5.120 -7.020 2.704 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.355 -8.014 0.291 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -7.730 -7.629 2.931 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -8.089 -8.777 1.657 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -5.569 -8.872 3.340 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -7.045 -9.716 3.760 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -6.122 -11.482 2.699 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -6.611 -10.682 1.219 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -4.434 -9.784 0.834 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -3.930 -10.050 2.491 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -3.081 -11.611 0.685 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -3.631 -12.298 2.137 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -4.615 -12.335 0.754 1.00 10.00 H new ATOM 687 N SER A 45 -7.359 -5.093 1.544 1.00 10.00 N ATOM 688 CA SER A 45 -8.111 -3.882 1.219 1.00 10.00 C ATOM 689 C SER A 45 -7.552 -3.218 -0.042 1.00 10.00 C ATOM 690 O SER A 45 -8.297 -2.727 -0.891 1.00 10.00 O ATOM 691 CB SER A 45 -8.084 -2.909 2.404 1.00 10.00 C ATOM 692 OG SER A 45 -8.585 -3.542 3.565 1.00 10.00 O ATOM 0 H SER A 45 -6.863 -5.043 2.434 1.00 10.00 H new ATOM 0 HA SER A 45 -9.147 -4.159 1.021 1.00 10.00 H new ATOM 0 HB2 SER A 45 -7.064 -2.565 2.579 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.682 -2.027 2.174 1.00 10.00 H new ATOM 0 HG SER A 45 -8.562 -2.913 4.316 1.00 10.00 H new ATOM 698 N VAL A 46 -6.224 -3.239 -0.183 1.00 10.00 N ATOM 699 CA VAL A 46 -5.540 -2.692 -1.344 1.00 10.00 C ATOM 700 C VAL A 46 -6.035 -3.325 -2.654 1.00 10.00 C ATOM 701 O VAL A 46 -6.228 -2.644 -3.665 1.00 10.00 O ATOM 702 CB VAL A 46 -4.016 -2.808 -1.127 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.439 -4.097 -1.696 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.250 -1.673 -1.788 1.00 10.00 C ATOM 0 H VAL A 46 -5.595 -3.640 0.513 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.779 -1.634 -1.450 1.00 10.00 H new ATOM 0 HB VAL A 46 -3.897 -2.779 -0.044 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.364 -4.126 -1.515 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.911 -4.952 -1.212 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.628 -4.138 -2.769 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.183 -1.800 -1.606 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.439 -1.683 -2.861 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.578 -0.721 -1.371 1.00 10.00 H new ATOM 714 N LYS A 47 -6.281 -4.640 -2.616 1.00 10.00 N ATOM 715 CA LYS A 47 -6.750 -5.391 -3.768 1.00 10.00 C ATOM 716 C LYS A 47 -8.243 -5.169 -4.021 1.00 10.00 C ATOM 717 O LYS A 47 -8.699 -5.177 -5.159 1.00 10.00 O ATOM 718 CB LYS A 47 -6.318 -6.856 -3.651 1.00 10.00 C ATOM 719 CG LYS A 47 -7.355 -7.811 -3.042 1.00 10.00 C ATOM 720 CD LYS A 47 -6.639 -8.900 -2.233 1.00 10.00 C ATOM 721 CE LYS A 47 -6.208 -10.105 -3.077 1.00 10.00 C ATOM 722 NZ LYS A 47 -7.299 -11.098 -3.186 1.00 10.00 N ATOM 0 H LYS A 47 -6.157 -5.208 -1.778 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.274 -5.013 -4.672 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.057 -7.219 -4.645 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.412 -6.901 -3.047 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.040 -7.258 -2.400 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -7.954 -8.265 -3.831 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -5.760 -8.468 -1.756 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.299 -9.242 -1.436 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -5.917 -9.770 -4.072 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -5.331 -10.572 -2.628 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -6.980 -11.903 -3.762 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -7.559 -11.434 -2.237 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -8.126 -10.657 -3.636 1.00 10.00 H new ATOM 736 N THR A 48 -8.988 -4.904 -2.949 1.00 10.00 N ATOM 737 CA THR A 48 -10.410 -4.573 -3.018 1.00 10.00 C ATOM 738 C THR A 48 -10.662 -3.159 -3.565 1.00 10.00 C ATOM 739 O THR A 48 -11.680 -2.943 -4.216 1.00 10.00 O ATOM 740 CB THR A 48 -11.036 -4.748 -1.626 1.00 10.00 C ATOM 741 OG1 THR A 48 -10.902 -6.101 -1.238 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.524 -4.394 -1.587 1.00 10.00 C ATOM 0 H THR A 48 -8.617 -4.913 -1.999 1.00 10.00 H new ATOM 0 HA THR A 48 -10.883 -5.257 -3.723 1.00 10.00 H new ATOM 0 HB THR A 48 -10.514 -4.069 -0.953 1.00 10.00 H new ATOM 0 HG1 THR A 48 -9.982 -6.267 -0.943 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.906 -4.539 -0.576 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.658 -3.353 -1.880 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.069 -5.038 -2.277 1.00 10.00 H new ATOM 750 N GLY A 49 -9.770 -2.190 -3.318 1.00 10.00 N ATOM 751 CA GLY A 49 -10.041 -0.790 -3.619 1.00 10.00 C ATOM 752 C GLY A 49 -10.753 -0.127 -2.451 1.00 10.00 C ATOM 753 O GLY A 49 -11.906 -0.412 -2.135 1.00 10.00 O ATOM 0 H GLY A 49 -8.851 -2.358 -2.908 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.107 -0.268 -3.828 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.655 -0.716 -4.517 1.00 10.00 H new ATOM 757 N LEU A 50 -10.023 0.779 -1.818 1.00 10.00 N ATOM 758 CA LEU A 50 -10.555 1.792 -0.929 1.00 10.00 C ATOM 759 C LEU A 50 -11.319 2.856 -1.763 1.00 10.00 C ATOM 760 O LEU A 50 -11.683 2.606 -2.907 1.00 10.00 O ATOM 761 CB LEU A 50 -9.339 2.317 -0.143 1.00 10.00 C ATOM 762 CG LEU A 50 -9.377 2.127 1.382 1.00 10.00 C ATOM 763 CD1 LEU A 50 -10.516 2.890 2.057 1.00 10.00 C ATOM 764 CD2 LEU A 50 -9.417 0.640 1.748 1.00 10.00 C ATOM 0 H LEU A 50 -9.009 0.828 -1.915 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.295 1.428 -0.216 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -8.446 1.824 -0.527 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.231 3.381 -0.352 1.00 10.00 H new ATOM 0 HG LEU A 50 -8.453 2.557 1.767 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -10.486 2.713 3.132 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.405 3.957 1.862 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -11.471 2.545 1.659 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -9.443 0.533 2.832 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -10.307 0.183 1.316 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -8.529 0.145 1.356 1.00 10.00 H new ATOM 776 N ASN A 51 -11.602 4.045 -1.218 1.00 10.00 N ATOM 777 CA ASN A 51 -12.497 5.010 -1.885 1.00 10.00 C ATOM 778 C ASN A 51 -11.831 5.695 -3.087 1.00 10.00 C ATOM 779 O ASN A 51 -12.212 5.500 -4.235 1.00 10.00 O ATOM 780 CB ASN A 51 -13.026 6.054 -0.887 1.00 10.00 C ATOM 781 CG ASN A 51 -13.345 5.409 0.446 1.00 10.00 C ATOM 782 OD1 ASN A 51 -12.371 5.451 1.344 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -14.398 4.824 0.652 1.00 10.00 N flip ATOM 0 H ASN A 51 -11.230 4.364 -0.324 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.342 4.439 -2.271 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -12.283 6.840 -0.748 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -13.921 6.529 -1.290 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -15.124 4.814 -0.064 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -14.551 4.346 1.540 1.00 10.00 H new ATOM 790 N ALA A 52 -10.820 6.519 -2.800 1.00 10.00 N ATOM 791 CA ALA A 52 -9.967 7.154 -3.803 1.00 10.00 C ATOM 792 C ALA A 52 -9.138 6.109 -4.569 1.00 10.00 C ATOM 793 O ALA A 52 -8.818 6.270 -5.744 1.00 10.00 O ATOM 794 CB ALA A 52 -9.054 8.145 -3.075 1.00 10.00 C ATOM 0 H ALA A 52 -10.568 6.767 -1.843 1.00 10.00 H new ATOM 0 HA ALA A 52 -10.580 7.673 -4.540 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -8.403 8.638 -3.797 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -9.662 8.893 -2.565 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -8.447 7.611 -2.344 1.00 10.00 H new ATOM 800 N MET A 53 -8.754 5.048 -3.859 1.00 10.00 N ATOM 801 CA MET A 53 -7.842 4.009 -4.291 1.00 10.00 C ATOM 802 C MET A 53 -8.482 3.073 -5.328 1.00 10.00 C ATOM 803 O MET A 53 -9.559 2.533 -5.082 1.00 10.00 O ATOM 804 CB MET A 53 -7.484 3.220 -3.026 1.00 10.00 C ATOM 805 CG MET A 53 -6.017 2.841 -2.927 1.00 10.00 C ATOM 806 SD MET A 53 -5.561 2.710 -1.181 1.00 10.00 S ATOM 807 CE MET A 53 -5.548 0.921 -1.024 1.00 10.00 C ATOM 0 H MET A 53 -9.096 4.889 -2.911 1.00 10.00 H new ATOM 0 HA MET A 53 -6.968 4.446 -4.773 1.00 10.00 H new ATOM 0 HB2 MET A 53 -7.755 3.813 -2.152 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.086 2.312 -2.995 1.00 10.00 H new ATOM 0 HG2 MET A 53 -5.837 1.894 -3.435 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.400 3.591 -3.422 1.00 10.00 H new ATOM 0 HE1 MET A 53 -4.917 0.634 -0.183 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.564 0.563 -0.854 1.00 10.00 H new ATOM 0 HE3 MET A 53 -5.156 0.478 -1.940 1.00 10.00 H new ATOM 817 N PRO A 54 -7.829 2.830 -6.472 1.00 10.00 N ATOM 818 CA PRO A 54 -8.354 1.913 -7.469 1.00 10.00 C ATOM 819 C PRO A 54 -8.343 0.476 -6.924 1.00 10.00 C ATOM 820 O PRO A 54 -7.419 0.104 -6.195 1.00 10.00 O ATOM 821 CB PRO A 54 -7.436 2.075 -8.683 1.00 10.00 C ATOM 822 CG PRO A 54 -6.106 2.488 -8.053 1.00 10.00 C ATOM 823 CD PRO A 54 -6.522 3.333 -6.855 1.00 10.00 C ATOM 0 HA PRO A 54 -9.390 2.125 -7.734 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -7.345 1.147 -9.247 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -7.809 2.832 -9.373 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.521 1.621 -7.748 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -5.492 3.057 -8.751 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -5.808 3.236 -6.038 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -6.567 4.390 -7.115 1.00 10.00 H new ATOM 831 N PRO A 55 -9.346 -0.348 -7.270 1.00 10.00 N ATOM 832 CA PRO A 55 -9.377 -1.747 -6.882 1.00 10.00 C ATOM 833 C PRO A 55 -8.168 -2.465 -7.474 1.00 10.00 C ATOM 834 O PRO A 55 -7.920 -2.358 -8.674 1.00 10.00 O ATOM 835 CB PRO A 55 -10.717 -2.286 -7.394 1.00 10.00 C ATOM 836 CG PRO A 55 -11.015 -1.396 -8.598 1.00 10.00 C ATOM 837 CD PRO A 55 -10.443 -0.043 -8.175 1.00 10.00 C ATOM 0 HA PRO A 55 -9.311 -1.901 -5.805 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -10.647 -3.336 -7.677 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.497 -2.212 -6.636 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -10.539 -1.770 -9.504 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -12.084 -1.337 -8.801 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.093 0.522 -9.039 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.201 0.566 -7.682 1.00 10.00 H new ATOM 845 N GLY A 56 -7.385 -3.152 -6.634 1.00 10.00 N ATOM 846 CA GLY A 56 -6.218 -3.875 -7.119 1.00 10.00 C ATOM 847 C GLY A 56 -4.934 -3.049 -7.049 1.00 10.00 C ATOM 848 O GLY A 56 -4.014 -3.278 -7.833 1.00 10.00 O ATOM 0 H GLY A 56 -7.541 -3.219 -5.628 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -6.091 -4.785 -6.532 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -6.390 -4.182 -8.150 1.00 10.00 H new ATOM 852 N GLY A 57 -4.868 -2.065 -6.143 1.00 10.00 N ATOM 853 CA GLY A 57 -3.729 -1.160 -5.998 1.00 10.00 C ATOM 854 C GLY A 57 -3.178 -0.606 -7.329 1.00 10.00 C ATOM 855 O GLY A 57 -1.969 -0.443 -7.480 1.00 10.00 O ATOM 0 H GLY A 57 -5.620 -1.875 -5.480 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.024 -0.323 -5.365 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -2.928 -1.685 -5.478 1.00 10.00 H new ATOM 859 N MET A 58 -4.066 -0.357 -8.303 1.00 10.00 N ATOM 860 CA MET A 58 -3.781 0.092 -9.673 1.00 10.00 C ATOM 861 C MET A 58 -3.106 -0.967 -10.580 1.00 10.00 C ATOM 862 O MET A 58 -2.897 -0.712 -11.765 1.00 10.00 O ATOM 863 CB MET A 58 -2.997 1.420 -9.667 1.00 10.00 C ATOM 864 CG MET A 58 -3.271 2.267 -10.925 1.00 10.00 C ATOM 865 SD MET A 58 -1.979 3.446 -11.395 1.00 10.00 S ATOM 866 CE MET A 58 -2.112 4.644 -10.058 1.00 10.00 C ATOM 0 H MET A 58 -5.067 -0.471 -8.144 1.00 10.00 H new ATOM 0 HA MET A 58 -4.757 0.259 -10.129 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.265 1.994 -8.780 1.00 10.00 H new ATOM 0 HB3 MET A 58 -1.930 1.209 -9.599 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.438 1.591 -11.763 1.00 10.00 H new ATOM 0 HG3 MET A 58 -4.198 2.819 -10.771 1.00 10.00 H new ATOM 0 HE1 MET A 58 -1.378 5.436 -10.205 1.00 10.00 H new ATOM 0 HE2 MET A 58 -3.114 5.074 -10.053 1.00 10.00 H new ATOM 0 HE3 MET A 58 -1.925 4.148 -9.105 1.00 10.00 H new ATOM 876 N CYS A 59 -2.761 -2.149 -10.057 1.00 10.00 N ATOM 877 CA CYS A 59 -2.101 -3.218 -10.812 1.00 10.00 C ATOM 878 C CYS A 59 -3.062 -4.365 -11.172 1.00 10.00 C ATOM 879 O CYS A 59 -2.976 -4.914 -12.270 1.00 10.00 O ATOM 880 CB CYS A 59 -0.822 -3.667 -10.073 1.00 10.00 C ATOM 881 SG CYS A 59 -0.576 -5.446 -9.842 1.00 10.00 S ATOM 0 H CYS A 59 -2.936 -2.393 -9.082 1.00 10.00 H new ATOM 0 HA CYS A 59 -1.787 -2.827 -11.780 1.00 10.00 H new ATOM 0 HB2 CYS A 59 0.037 -3.276 -10.618 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -0.817 -3.196 -9.090 1.00 10.00 H new ATOM 886 N THR A 60 -3.966 -4.728 -10.256 1.00 10.00 N ATOM 887 CA THR A 60 -4.921 -5.838 -10.363 1.00 10.00 C ATOM 888 C THR A 60 -4.241 -7.211 -10.356 1.00 10.00 C ATOM 889 O THR A 60 -4.476 -8.011 -9.450 1.00 10.00 O ATOM 890 CB THR A 60 -5.888 -5.656 -11.546 1.00 10.00 C ATOM 891 OG1 THR A 60 -6.554 -4.421 -11.392 1.00 10.00 O ATOM 892 CG2 THR A 60 -6.952 -6.756 -11.572 1.00 10.00 C ATOM 0 H THR A 60 -4.057 -4.228 -9.371 1.00 10.00 H new ATOM 0 HA THR A 60 -5.530 -5.810 -9.459 1.00 10.00 H new ATOM 0 HB THR A 60 -5.310 -5.697 -12.469 1.00 10.00 H new ATOM 0 HG1 THR A 60 -7.174 -4.288 -12.139 1.00 10.00 H new ATOM 0 HG21 THR A 60 -7.619 -6.598 -12.420 1.00 10.00 H new ATOM 0 HG22 THR A 60 -6.468 -7.728 -11.668 1.00 10.00 H new ATOM 0 HG23 THR A 60 -7.528 -6.727 -10.647 1.00 10.00 H new ATOM 900 N ASP A 61 -3.372 -7.478 -11.332 1.00 10.00 N ATOM 901 CA ASP A 61 -2.682 -8.752 -11.505 1.00 10.00 C ATOM 902 C ASP A 61 -1.486 -8.849 -10.539 1.00 10.00 C ATOM 903 O ASP A 61 -0.336 -9.017 -10.941 1.00 10.00 O ATOM 904 CB ASP A 61 -2.285 -8.881 -12.984 1.00 10.00 C ATOM 905 CG ASP A 61 -3.468 -8.875 -13.945 1.00 10.00 C ATOM 906 OD1 ASP A 61 -4.607 -9.086 -13.477 1.00 10.00 O ATOM 907 OD2 ASP A 61 -3.202 -8.655 -15.145 1.00 10.00 O ATOM 0 H ASP A 61 -3.123 -6.791 -12.044 1.00 10.00 H new ATOM 0 HA ASP A 61 -3.331 -9.591 -11.255 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -1.615 -8.061 -13.243 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -1.724 -9.806 -13.120 1.00 10.00 H new ATOM 912 N CYS A 62 -1.773 -8.710 -9.242 1.00 10.00 N ATOM 913 CA CYS A 62 -0.790 -8.586 -8.174 1.00 10.00 C ATOM 914 C CYS A 62 -0.814 -9.825 -7.270 1.00 10.00 C ATOM 915 O CYS A 62 -1.853 -10.145 -6.695 1.00 10.00 O ATOM 916 CB CYS A 62 -1.073 -7.315 -7.359 1.00 10.00 C ATOM 917 SG CYS A 62 -1.829 -5.905 -8.207 1.00 10.00 S ATOM 0 H CYS A 62 -2.733 -8.680 -8.899 1.00 10.00 H new ATOM 0 HA CYS A 62 0.205 -8.512 -8.614 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.722 -7.590 -6.528 1.00 10.00 H new ATOM 0 HB3 CYS A 62 -0.130 -6.978 -6.929 1.00 10.00 H new ATOM 922 N THR A 63 0.325 -10.508 -7.117 1.00 10.00 N ATOM 923 CA THR A 63 0.458 -11.619 -6.176 1.00 10.00 C ATOM 924 C THR A 63 1.003 -11.095 -4.848 1.00 10.00 C ATOM 925 O THR A 63 1.966 -10.322 -4.839 1.00 10.00 O ATOM 926 CB THR A 63 1.346 -12.739 -6.746 1.00 10.00 C ATOM 927 OG1 THR A 63 1.686 -13.630 -5.704 1.00 10.00 O ATOM 928 CG2 THR A 63 2.643 -12.251 -7.394 1.00 10.00 C ATOM 0 H THR A 63 1.176 -10.305 -7.641 1.00 10.00 H new ATOM 0 HA THR A 63 -0.526 -12.057 -6.007 1.00 10.00 H new ATOM 0 HB THR A 63 0.759 -13.216 -7.531 1.00 10.00 H new ATOM 0 HG1 THR A 63 2.251 -14.348 -6.059 1.00 10.00 H new ATOM 0 HG21 THR A 63 3.207 -13.106 -7.768 1.00 10.00 H new ATOM 0 HG22 THR A 63 2.407 -11.582 -8.221 1.00 10.00 H new ATOM 0 HG23 THR A 63 3.241 -11.718 -6.655 1.00 10.00 H new ATOM 936 N ASP A 64 0.383 -11.508 -3.735 1.00 10.00 N ATOM 937 CA ASP A 64 0.810 -11.285 -2.366 1.00 10.00 C ATOM 938 C ASP A 64 2.338 -11.238 -2.205 1.00 10.00 C ATOM 939 O ASP A 64 2.841 -10.352 -1.523 1.00 10.00 O ATOM 940 CB ASP A 64 0.133 -12.361 -1.514 1.00 10.00 C ATOM 941 CG ASP A 64 -1.369 -12.126 -1.398 1.00 10.00 C ATOM 942 OD1 ASP A 64 -2.029 -12.125 -2.459 1.00 10.00 O ATOM 943 OD2 ASP A 64 -1.848 -11.939 -0.257 1.00 10.00 O ATOM 0 H ASP A 64 -0.486 -12.041 -3.780 1.00 10.00 H new ATOM 0 HA ASP A 64 0.502 -10.296 -2.028 1.00 10.00 H new ATOM 0 HB2 ASP A 64 0.315 -13.342 -1.954 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.578 -12.371 -0.519 1.00 10.00 H new ATOM 948 N GLU A 65 3.075 -12.127 -2.878 1.00 10.00 N ATOM 949 CA GLU A 65 4.534 -12.084 -2.992 1.00 10.00 C ATOM 950 C GLU A 65 5.099 -10.661 -3.201 1.00 10.00 C ATOM 951 O GLU A 65 5.839 -10.168 -2.347 1.00 10.00 O ATOM 952 CB GLU A 65 4.999 -13.039 -4.101 1.00 10.00 C ATOM 953 CG GLU A 65 4.533 -14.483 -3.854 1.00 10.00 C ATOM 954 CD GLU A 65 5.167 -15.458 -4.834 1.00 10.00 C ATOM 955 OE1 GLU A 65 6.288 -15.916 -4.526 1.00 10.00 O ATOM 956 OE2 GLU A 65 4.508 -15.718 -5.864 1.00 10.00 O ATOM 0 H GLU A 65 2.661 -12.918 -3.372 1.00 10.00 H new ATOM 0 HA GLU A 65 4.937 -12.415 -2.035 1.00 10.00 H new ATOM 0 HB2 GLU A 65 4.615 -12.694 -5.061 1.00 10.00 H new ATOM 0 HB3 GLU A 65 6.087 -13.016 -4.166 1.00 10.00 H new ATOM 0 HG2 GLU A 65 4.785 -14.777 -2.835 1.00 10.00 H new ATOM 0 HG3 GLU A 65 3.448 -14.534 -3.941 1.00 10.00 H new ATOM 963 N ASP A 66 4.733 -9.977 -4.297 1.00 10.00 N ATOM 964 CA ASP A 66 5.200 -8.610 -4.533 1.00 10.00 C ATOM 965 C ASP A 66 4.290 -7.579 -3.842 1.00 10.00 C ATOM 966 O ASP A 66 4.749 -6.519 -3.414 1.00 10.00 O ATOM 967 CB ASP A 66 5.424 -8.353 -6.036 1.00 10.00 C ATOM 968 CG ASP A 66 6.897 -8.465 -6.407 1.00 10.00 C ATOM 969 OD1 ASP A 66 7.391 -9.610 -6.403 1.00 10.00 O ATOM 970 OD2 ASP A 66 7.499 -7.401 -6.672 1.00 10.00 O ATOM 0 H ASP A 66 4.121 -10.347 -5.024 1.00 10.00 H new ATOM 0 HA ASP A 66 6.177 -8.486 -4.067 1.00 10.00 H new ATOM 0 HB2 ASP A 66 4.845 -9.069 -6.619 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.057 -7.360 -6.295 1.00 10.00 H new ATOM 975 N TYR A 67 3.002 -7.897 -3.656 1.00 10.00 N ATOM 976 CA TYR A 67 2.064 -7.027 -2.952 1.00 10.00 C ATOM 977 C TYR A 67 2.569 -6.691 -1.538 1.00 10.00 C ATOM 978 O TYR A 67 2.533 -5.540 -1.108 1.00 10.00 O ATOM 979 CB TYR A 67 0.689 -7.718 -2.892 1.00 10.00 C ATOM 980 CG TYR A 67 -0.543 -6.967 -3.362 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.550 -5.574 -3.575 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.690 -7.724 -3.671 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.610 -4.987 -4.286 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.790 -7.114 -4.290 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.720 -5.763 -4.655 1.00 10.00 C ATOM 986 OH TYR A 67 -3.723 -5.214 -5.385 1.00 10.00 O ATOM 0 H TYR A 67 2.586 -8.766 -3.991 1.00 10.00 H new ATOM 0 HA TYR A 67 1.975 -6.086 -3.494 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.757 -8.634 -3.479 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.517 -8.014 -1.857 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.254 -4.962 -3.194 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.722 -8.776 -3.431 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.571 -3.940 -4.548 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.687 -7.683 -4.485 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.484 -5.233 -6.335 1.00 10.00 H new ATOM 996 N LYS A 68 3.079 -7.707 -0.832 1.00 10.00 N ATOM 997 CA LYS A 68 3.642 -7.582 0.503 1.00 10.00 C ATOM 998 C LYS A 68 4.992 -6.871 0.428 1.00 10.00 C ATOM 999 O LYS A 68 5.226 -5.927 1.172 1.00 10.00 O ATOM 1000 CB LYS A 68 3.697 -8.919 1.259 1.00 10.00 C ATOM 1001 CG LYS A 68 4.860 -9.849 0.885 1.00 10.00 C ATOM 1002 CD LYS A 68 4.853 -11.097 1.778 1.00 10.00 C ATOM 1003 CE LYS A 68 5.733 -10.903 3.023 1.00 10.00 C ATOM 1004 NZ LYS A 68 7.173 -10.814 2.684 1.00 10.00 N ATOM 0 H LYS A 68 3.109 -8.662 -1.190 1.00 10.00 H new ATOM 0 HA LYS A 68 2.972 -6.965 1.101 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.753 -8.709 2.327 1.00 10.00 H new ATOM 0 HB3 LYS A 68 2.761 -9.451 1.087 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.778 -10.142 -0.162 1.00 10.00 H new ATOM 0 HG3 LYS A 68 5.807 -9.320 0.995 1.00 10.00 H new ATOM 0 HD2 LYS A 68 3.831 -11.321 2.085 1.00 10.00 H new ATOM 0 HD3 LYS A 68 5.210 -11.955 1.209 1.00 10.00 H new ATOM 0 HE2 LYS A 68 5.428 -9.995 3.544 1.00 10.00 H new ATOM 0 HE3 LYS A 68 5.574 -11.734 3.711 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 7.734 -11.276 3.428 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 7.346 -11.289 1.775 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 7.451 -9.815 2.611 1.00 10.00 H new ATOM 1018 N ALA A 69 5.850 -7.258 -0.525 1.00 10.00 N ATOM 1019 CA ALA A 69 7.108 -6.563 -0.783 1.00 10.00 C ATOM 1020 C ALA A 69 6.903 -5.040 -0.939 1.00 10.00 C ATOM 1021 O ALA A 69 7.696 -4.228 -0.467 1.00 10.00 O ATOM 1022 CB ALA A 69 7.794 -7.173 -1.996 1.00 10.00 C ATOM 0 H ALA A 69 5.688 -8.060 -1.135 1.00 10.00 H new ATOM 0 HA ALA A 69 7.759 -6.694 0.082 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.732 -6.651 -2.184 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.997 -8.227 -1.807 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.145 -7.079 -2.867 1.00 10.00 H new ATOM 1028 N ALA A 70 5.800 -4.648 -1.582 1.00 10.00 N ATOM 1029 CA ALA A 70 5.485 -3.252 -1.886 1.00 10.00 C ATOM 1030 C ALA A 70 5.152 -2.456 -0.624 1.00 10.00 C ATOM 1031 O ALA A 70 5.612 -1.326 -0.464 1.00 10.00 O ATOM 1032 CB ALA A 70 4.368 -3.179 -2.932 1.00 10.00 C ATOM 0 H ALA A 70 5.090 -5.303 -1.911 1.00 10.00 H new ATOM 0 HA ALA A 70 6.373 -2.784 -2.311 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.142 -2.135 -3.151 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.691 -3.679 -3.845 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.475 -3.671 -2.546 1.00 10.00 H new ATOM 1038 N ILE A 71 4.385 -3.039 0.299 1.00 10.00 N ATOM 1039 CA ILE A 71 4.096 -2.416 1.569 1.00 10.00 C ATOM 1040 C ILE A 71 5.287 -2.504 2.529 1.00 10.00 C ATOM 1041 O ILE A 71 5.646 -1.515 3.165 1.00 10.00 O ATOM 1042 CB ILE A 71 2.797 -2.994 2.132 1.00 10.00 C ATOM 1043 CG1 ILE A 71 2.743 -4.513 2.305 1.00 10.00 C ATOM 1044 CG2 ILE A 71 1.634 -2.507 1.253 1.00 10.00 C ATOM 1045 CD1 ILE A 71 1.597 -4.978 3.211 1.00 10.00 C ATOM 0 H ILE A 71 3.953 -3.955 0.177 1.00 10.00 H new ATOM 0 HA ILE A 71 3.938 -1.347 1.427 1.00 10.00 H new ATOM 0 HB ILE A 71 2.726 -2.625 3.155 1.00 10.00 H new ATOM 0 HG12 ILE A 71 2.636 -4.980 1.326 1.00 10.00 H new ATOM 0 HG13 ILE A 71 3.689 -4.859 2.721 1.00 10.00 H new ATOM 0 HG21 ILE A 71 0.696 -2.908 1.636 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.597 -1.418 1.269 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.783 -2.850 0.229 1.00 10.00 H new ATOM 0 HD11 ILE A 71 1.615 -6.065 3.292 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.715 -4.538 4.201 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.645 -4.662 2.785 1.00 10.00 H new ATOM 1057 N GLU A 72 5.958 -3.658 2.589 1.00 10.00 N ATOM 1058 CA GLU A 72 7.135 -3.843 3.431 1.00 10.00 C ATOM 1059 C GLU A 72 8.304 -2.951 2.986 1.00 10.00 C ATOM 1060 O GLU A 72 9.102 -2.549 3.829 1.00 10.00 O ATOM 1061 CB GLU A 72 7.470 -5.333 3.662 1.00 10.00 C ATOM 1062 CG GLU A 72 8.317 -5.935 2.542 1.00 10.00 C ATOM 1063 CD GLU A 72 8.488 -7.466 2.568 1.00 10.00 C ATOM 1064 OE1 GLU A 72 7.482 -8.215 2.520 1.00 10.00 O ATOM 1065 OE2 GLU A 72 9.656 -7.902 2.606 1.00 10.00 O ATOM 0 H GLU A 72 5.698 -4.487 2.055 1.00 10.00 H new ATOM 0 HA GLU A 72 6.896 -3.484 4.432 1.00 10.00 H new ATOM 0 HB2 GLU A 72 8.001 -5.438 4.608 1.00 10.00 H new ATOM 0 HB3 GLU A 72 6.543 -5.898 3.753 1.00 10.00 H new ATOM 0 HG2 GLU A 72 7.871 -5.656 1.587 1.00 10.00 H new ATOM 0 HG3 GLU A 72 9.306 -5.479 2.577 1.00 10.00 H new ATOM 1072 N PHE A 73 8.352 -2.544 1.703 1.00 10.00 N ATOM 1073 CA PHE A 73 9.227 -1.447 1.271 1.00 10.00 C ATOM 1074 C PHE A 73 9.084 -0.203 2.169 1.00 10.00 C ATOM 1075 O PHE A 73 10.075 0.422 2.542 1.00 10.00 O ATOM 1076 CB PHE A 73 8.946 -1.083 -0.196 1.00 10.00 C ATOM 1077 CG PHE A 73 10.000 -0.188 -0.829 1.00 10.00 C ATOM 1078 CD1 PHE A 73 10.067 1.182 -0.503 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.932 -0.731 -1.734 1.00 10.00 C ATOM 1080 CE1 PHE A 73 11.084 1.990 -1.043 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.933 0.084 -2.293 1.00 10.00 C ATOM 1082 CZ PHE A 73 12.005 1.445 -1.955 1.00 10.00 C ATOM 0 H PHE A 73 7.797 -2.958 0.954 1.00 10.00 H new ATOM 0 HA PHE A 73 10.255 -1.797 1.362 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.868 -2.001 -0.778 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.979 -0.585 -0.256 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.335 1.613 0.164 1.00 10.00 H new ATOM 0 HD2 PHE A 73 10.878 -1.776 -2.000 1.00 10.00 H new ATOM 0 HE1 PHE A 73 11.157 3.029 -0.757 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.648 -0.338 -2.984 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.766 2.072 -2.395 1.00 10.00 H new ATOM 1092 N MET A 74 7.843 0.171 2.501 1.00 10.00 N ATOM 1093 CA MET A 74 7.550 1.310 3.363 1.00 10.00 C ATOM 1094 C MET A 74 7.688 0.911 4.840 1.00 10.00 C ATOM 1095 O MET A 74 8.453 1.512 5.594 1.00 10.00 O ATOM 1096 CB MET A 74 6.141 1.834 3.035 1.00 10.00 C ATOM 1097 CG MET A 74 6.115 2.498 1.644 1.00 10.00 C ATOM 1098 SD MET A 74 4.522 3.116 1.025 1.00 10.00 S ATOM 1099 CE MET A 74 3.732 1.612 0.421 1.00 10.00 C ATOM 0 H MET A 74 7.009 -0.317 2.173 1.00 10.00 H new ATOM 0 HA MET A 74 8.266 2.112 3.183 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.426 1.012 3.064 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.830 2.553 3.792 1.00 10.00 H new ATOM 0 HG2 MET A 74 6.814 3.334 1.660 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.497 1.776 0.922 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.333 1.787 -0.578 1.00 10.00 H new ATOM 0 HE2 MET A 74 4.465 0.806 0.383 1.00 10.00 H new ATOM 0 HE3 MET A 74 2.920 1.333 1.092 1.00 10.00 H new ATOM 1109 N SER A 75 6.929 -0.108 5.245 1.00 10.00 N ATOM 1110 CA SER A 75 6.926 -0.724 6.566 1.00 10.00 C ATOM 1111 C SER A 75 5.935 -1.893 6.547 1.00 10.00 C ATOM 1112 O SER A 75 4.769 -1.712 6.225 1.00 10.00 O ATOM 1113 CB SER A 75 6.544 0.303 7.640 1.00 10.00 C ATOM 1114 OG SER A 75 6.347 -0.352 8.881 1.00 10.00 O ATOM 0 H SER A 75 6.258 -0.551 4.617 1.00 10.00 H new ATOM 0 HA SER A 75 7.923 -1.091 6.810 1.00 10.00 H new ATOM 0 HB2 SER A 75 7.329 1.053 7.735 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.635 0.828 7.347 1.00 10.00 H new ATOM 0 HG SER A 75 6.105 0.308 9.564 1.00 10.00 H new ATOM 1120 N LYS A 76 6.386 -3.113 6.834 1.00 10.00 N ATOM 1121 CA LYS A 76 5.537 -4.310 6.887 1.00 10.00 C ATOM 1122 C LYS A 76 4.333 -4.153 7.839 1.00 10.00 C ATOM 1123 O LYS A 76 4.390 -4.598 8.985 1.00 10.00 O ATOM 1124 CB LYS A 76 6.379 -5.548 7.258 1.00 10.00 C ATOM 1125 CG LYS A 76 7.519 -5.236 8.240 1.00 10.00 C ATOM 1126 CD LYS A 76 7.825 -6.425 9.160 1.00 10.00 C ATOM 1127 CE LYS A 76 6.989 -6.297 10.441 1.00 10.00 C ATOM 1128 NZ LYS A 76 7.245 -7.408 11.379 1.00 10.00 N ATOM 0 H LYS A 76 7.366 -3.304 7.040 1.00 10.00 H new ATOM 0 HA LYS A 76 5.120 -4.449 5.890 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.727 -6.304 7.697 1.00 10.00 H new ATOM 0 HB3 LYS A 76 6.799 -5.979 6.349 1.00 10.00 H new ATOM 0 HG2 LYS A 76 8.416 -4.969 7.681 1.00 10.00 H new ATOM 0 HG3 LYS A 76 7.250 -4.370 8.844 1.00 10.00 H new ATOM 0 HD2 LYS A 76 7.595 -7.362 8.653 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.887 -6.448 9.405 1.00 10.00 H new ATOM 0 HE2 LYS A 76 7.216 -5.350 10.930 1.00 10.00 H new ATOM 0 HE3 LYS A 76 5.930 -6.276 10.183 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 6.661 -7.285 12.231 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 7.004 -8.311 10.922 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 8.250 -7.413 11.646 1.00 10.00 H new ATOM 1142 N ALA A 77 3.246 -3.536 7.358 1.00 10.00 N ATOM 1143 CA ALA A 77 2.046 -3.279 8.148 1.00 10.00 C ATOM 1144 C ALA A 77 0.777 -3.071 7.309 1.00 10.00 C ATOM 1145 O ALA A 77 -0.132 -3.895 7.363 1.00 10.00 O ATOM 1146 CB ALA A 77 2.297 -2.106 9.103 1.00 10.00 C ATOM 0 H ALA A 77 3.179 -3.199 6.397 1.00 10.00 H new ATOM 0 HA ALA A 77 1.847 -4.181 8.727 1.00 10.00 H new ATOM 0 HB1 ALA A 77 1.399 -1.917 9.691 1.00 10.00 H new ATOM 0 HB2 ALA A 77 3.123 -2.351 9.771 1.00 10.00 H new ATOM 0 HB3 ALA A 77 2.548 -1.215 8.527 1.00 10.00 H new ATOM 1152 N LYS A 78 0.696 -1.950 6.585 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.464 -1.578 5.769 1.00 10.00 C ATOM 1154 C LYS A 78 -0.262 -1.922 4.288 1.00 10.00 C ATOM 1155 O LYS A 78 -1.167 -2.539 3.687 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.884 -0.109 6.004 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.118 0.981 5.234 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.922 2.253 4.967 1.00 10.00 C ATOM 1159 CE LYS A 78 -1.272 2.995 6.248 1.00 10.00 C ATOM 1160 NZ LYS A 78 -0.091 3.640 6.845 1.00 10.00 N ATOM 1161 OXT LYS A 78 0.781 -1.497 3.758 1.00 10.00 O ATOM 0 H LYS A 78 1.449 -1.263 6.549 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.304 -2.188 6.101 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.941 -0.017 5.754 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.789 0.102 7.069 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.778 1.244 5.797 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.214 0.569 4.281 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -0.350 2.911 4.313 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.839 1.996 4.437 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -2.030 3.749 6.036 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -1.707 2.298 6.965 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -0.375 4.531 7.301 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 0.329 3.006 7.555 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 0.609 3.839 6.102 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.525 3.777 -0.644 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.320 4.218 2.363 1.00 10.00 C HETATM 1178 CHB HEC A 90 -2.032 0.977 0.628 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.156 3.221 -3.737 1.00 10.00 C HETATM 1180 CHD HEC A 90 -4.989 6.710 -1.827 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.685 2.762 1.148 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.497 3.096 2.210 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.320 2.073 3.213 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.443 1.151 2.685 1.00 10.00 C HETATM 1185 C4A HEC A 90 -2.989 1.631 1.413 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.024 -0.155 3.277 1.00 10.00 C HETATM 1187 CAA HEC A 90 -4.859 2.098 4.631 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.251 1.483 4.814 1.00 10.00 C HETATM 1189 CGA HEC A 90 -6.698 1.603 6.271 1.00 10.00 C HETATM 1190 O1A HEC A 90 -7.499 2.515 6.551 1.00 10.00 O HETATM 1191 O2A HEC A 90 -6.199 0.813 7.103 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.315 2.349 -1.416 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.760 1.341 -0.691 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.789 0.686 -1.531 1.00 10.00 C HETATM 1195 C3B HEC A 90 -0.909 1.244 -2.790 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.847 2.339 -2.692 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.247 -0.314 -1.042 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.054 0.946 -3.997 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.064 -0.526 -4.436 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.545 4.796 -2.438 1.00 10.00 N HETATM 1201 C1C HEC A 90 -2.945 4.358 -3.579 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.312 5.277 -4.635 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.058 6.282 -4.056 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.228 5.943 -2.676 1.00 10.00 C HETATM 1205 CMC HEC A 90 -3.049 5.117 -6.117 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.571 7.536 -4.730 1.00 10.00 C HETATM 1207 CBC HEC A 90 -5.987 7.459 -5.303 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.823 5.284 0.180 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.251 6.371 -0.508 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.110 7.128 0.359 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.247 6.416 1.532 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.420 5.233 1.409 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.764 8.441 0.014 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.197 6.759 2.660 1.00 10.00 C HETATM 1215 CBD HEC A 90 -6.547 7.005 4.031 1.00 10.00 C HETATM 1216 CGD HEC A 90 -7.543 7.526 5.060 1.00 10.00 C HETATM 1217 O1D HEC A 90 -7.111 7.679 6.222 1.00 10.00 O HETATM 1218 O2D HEC A 90 -8.712 7.747 4.675 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -5.997 9.181 -0.215 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.410 8.309 -0.854 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.359 8.785 0.860 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.975 5.047 -6.290 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.535 4.210 -6.477 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.448 5.979 -6.652 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.890 0.161 -0.301 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.257 -1.168 -0.590 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.851 -0.653 -1.883 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.549 0.019 4.242 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -3.899 -0.790 3.413 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.318 -0.648 2.608 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -6.107 6.076 4.393 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -5.733 7.722 3.921 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -6.033 6.672 -6.055 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -6.692 7.237 -4.502 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -6.247 8.414 -5.761 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 0.306 -1.151 -3.623 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.082 -0.824 -4.687 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.576 -0.650 -5.309 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -6.967 1.987 4.164 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -6.234 0.434 4.517 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -7.757 7.651 2.379 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.918 5.948 2.761 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.159 1.569 5.278 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -4.889 3.133 4.972 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.411 7.638 -2.212 1.00 10.00 H new HETATM 0 HHC HEC A 90 -1.757 3.005 -4.728 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.476 0.148 1.066 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.913 4.304 3.273 1.00 10.00 H new HETATM 0 H2D HEC A 90 -9.251 8.062 5.430 1.00 10.00 H new HETATM 0 H2A HEC A 90 -6.535 1.026 7.999 1.00 10.00 H new