USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 519 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+ 164:sc= 1.21 (180deg=0.897) USER MOD Single : A 2 ASN : amide:sc= 0.494 X(o=0.49,f=-0.0057) USER MOD Single : A 6 THR OG1 : rot -84:sc= 0.823 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 75:sc= 0.46 USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.08) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc=-0.00573 K(o=-0.0057,f=-1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.115 X(o=0.12,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -116:sc= 0.635 (180deg=-1.67!) USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 34 GLN :FLIP amide:sc=-0.00924 F(o=-0.94,f=-0.0092) USER MOD Single : A 37 GLN : amide:sc= -1.92 K(o=-1.9,f=-6.2!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.943 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0807 F(o=-2.6!,f=-0.081) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.274 F(o=-1.4!,f=-0.27) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.961 X(o=-0.96,f=-0.53) USER MOD Single : A 60 HIS : no HE2:sc= 0.981 K(o=0.98,f=-4.6!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 62 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.018 10.775 -4.796 1.00 0.00 N ATOM 2 CA MET A 1 -9.652 9.620 -5.650 1.00 0.00 C ATOM 3 C MET A 1 -8.483 8.857 -5.042 1.00 0.00 C ATOM 4 O MET A 1 -8.603 7.675 -4.721 1.00 0.00 O ATOM 5 CB MET A 1 -9.304 10.085 -7.071 1.00 0.00 C ATOM 6 CG MET A 1 -10.509 10.537 -7.880 1.00 0.00 C ATOM 7 SD MET A 1 -11.329 11.984 -7.178 1.00 0.00 S ATOM 8 CE MET A 1 -12.743 12.126 -8.269 1.00 0.00 C ATOM 0 H1 MET A 1 -10.616 11.431 -5.337 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.540 10.438 -3.962 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.155 11.267 -4.489 1.00 0.00 H new ATOM 0 HA MET A 1 -10.511 8.952 -5.707 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.590 10.906 -7.010 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.808 9.270 -7.599 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.192 10.764 -8.898 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.224 9.717 -7.945 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.352 12.978 -7.966 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.399 12.272 -9.293 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.339 11.215 -8.213 1.00 0.00 H new ATOM 20 N ASN A 2 -7.359 9.534 -4.874 1.00 0.00 N ATOM 21 CA ASN A 2 -6.190 8.922 -4.258 1.00 0.00 C ATOM 22 C ASN A 2 -6.035 9.431 -2.835 1.00 0.00 C ATOM 23 O ASN A 2 -6.600 10.463 -2.470 1.00 0.00 O ATOM 24 CB ASN A 2 -4.919 9.226 -5.062 1.00 0.00 C ATOM 25 CG ASN A 2 -4.539 10.699 -5.044 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.014 11.480 -5.866 1.00 0.00 O ATOM 27 ND2 ASN A 2 -3.665 11.085 -4.122 1.00 0.00 N ATOM 0 H ASN A 2 -7.230 10.506 -5.155 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.335 7.842 -4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.093 8.639 -4.660 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -5.064 8.907 -6.094 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.366 12.059 -4.079 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.293 10.407 -3.457 1.00 0.00 H new ATOM 34 N LEU A 3 -5.291 8.698 -2.029 1.00 0.00 N ATOM 35 CA LEU A 3 -5.005 9.132 -0.675 1.00 0.00 C ATOM 36 C LEU A 3 -3.605 9.722 -0.603 1.00 0.00 C ATOM 37 O LEU A 3 -2.888 9.759 -1.606 1.00 0.00 O ATOM 38 CB LEU A 3 -5.161 7.968 0.304 1.00 0.00 C ATOM 39 CG LEU A 3 -6.579 7.395 0.395 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.634 6.274 1.413 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.576 8.487 0.752 1.00 0.00 C ATOM 0 H LEU A 3 -4.875 7.803 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.719 9.905 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.479 7.170 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.854 8.301 1.295 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.848 6.990 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.649 5.879 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.950 5.479 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.344 6.657 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.577 8.060 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.309 8.923 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.557 9.262 -0.015 1.00 0.00 H new ATOM 53 N ARG A 4 -3.217 10.191 0.570 1.00 0.00 N ATOM 54 CA ARG A 4 -1.913 10.806 0.739 1.00 0.00 C ATOM 55 C ARG A 4 -0.855 9.745 0.976 1.00 0.00 C ATOM 56 O ARG A 4 -0.854 9.069 2.004 1.00 0.00 O ATOM 57 CB ARG A 4 -1.929 11.799 1.897 1.00 0.00 C ATOM 58 CG ARG A 4 -2.915 12.935 1.702 1.00 0.00 C ATOM 59 CD ARG A 4 -2.788 13.971 2.805 1.00 0.00 C ATOM 60 NE ARG A 4 -3.761 15.054 2.663 1.00 0.00 N ATOM 61 CZ ARG A 4 -3.484 16.234 2.111 1.00 0.00 C ATOM 62 NH1 ARG A 4 -2.294 16.456 1.562 1.00 0.00 N ATOM 63 NH2 ARG A 4 -4.404 17.187 2.084 1.00 0.00 N ATOM 0 H ARG A 4 -3.785 10.158 1.417 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.671 11.347 -0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.174 11.269 2.817 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.929 12.213 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.742 13.407 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.931 12.539 1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.924 13.487 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.781 14.387 2.796 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.708 14.896 3.007 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.587 15.721 1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.088 17.362 1.141 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.326 17.017 2.486 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.190 18.090 1.661 1.00 0.00 H new ATOM 77 N TRP A 5 0.033 9.595 0.015 1.00 0.00 N ATOM 78 CA TRP A 5 1.107 8.622 0.119 1.00 0.00 C ATOM 79 C TRP A 5 2.347 9.259 0.722 1.00 0.00 C ATOM 80 O TRP A 5 2.837 10.274 0.226 1.00 0.00 O ATOM 81 CB TRP A 5 1.441 8.021 -1.251 1.00 0.00 C ATOM 82 CG TRP A 5 0.377 7.109 -1.782 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.858 7.457 -2.259 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.467 5.687 -1.906 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.545 6.333 -2.654 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.748 5.235 -2.450 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.461 4.751 -1.601 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -0.993 3.889 -2.699 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.212 3.415 -1.849 1.00 0.00 C ATOM 90 CH2 TRP A 5 -0.005 2.997 -2.393 1.00 0.00 C ATOM 0 H TRP A 5 0.034 10.135 -0.850 1.00 0.00 H new ATOM 0 HA TRP A 5 0.767 7.819 0.773 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.603 8.830 -1.963 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.378 7.469 -1.177 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.237 8.467 -2.317 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.491 6.318 -3.036 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.404 5.067 -1.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.932 3.560 -3.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 1.971 2.682 -1.619 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.168 1.945 -2.576 1.00 0.00 H new ATOM 101 N THR A 6 2.835 8.675 1.804 1.00 0.00 N ATOM 102 CA THR A 6 4.065 9.136 2.425 1.00 0.00 C ATOM 103 C THR A 6 5.256 8.785 1.541 1.00 0.00 C ATOM 104 O THR A 6 5.167 7.875 0.713 1.00 0.00 O ATOM 105 CB THR A 6 4.247 8.516 3.826 1.00 0.00 C ATOM 106 OG1 THR A 6 4.081 7.096 3.759 1.00 0.00 O ATOM 107 CG2 THR A 6 3.245 9.092 4.812 1.00 0.00 C ATOM 0 H THR A 6 2.398 7.880 2.270 1.00 0.00 H new ATOM 0 HA THR A 6 4.005 10.218 2.538 1.00 0.00 H new ATOM 0 HB THR A 6 5.253 8.754 4.171 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.128 6.875 3.817 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.396 8.638 5.791 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.387 10.170 4.887 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.233 8.882 4.467 1.00 0.00 H new ATOM 115 N SER A 7 6.358 9.505 1.705 1.00 0.00 N ATOM 116 CA SER A 7 7.550 9.272 0.899 1.00 0.00 C ATOM 117 C SER A 7 8.021 7.825 1.034 1.00 0.00 C ATOM 118 O SER A 7 8.436 7.203 0.056 1.00 0.00 O ATOM 119 CB SER A 7 8.658 10.238 1.319 1.00 0.00 C ATOM 120 OG SER A 7 8.210 11.582 1.245 1.00 0.00 O ATOM 0 H SER A 7 6.452 10.256 2.389 1.00 0.00 H new ATOM 0 HA SER A 7 7.304 9.450 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.977 10.012 2.336 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.527 10.104 0.675 1.00 0.00 H new ATOM 0 HG SER A 7 8.933 12.184 1.519 1.00 0.00 H new ATOM 126 N GLU A 8 7.933 7.293 2.247 1.00 0.00 N ATOM 127 CA GLU A 8 8.311 5.913 2.507 1.00 0.00 C ATOM 128 C GLU A 8 7.349 4.952 1.809 1.00 0.00 C ATOM 129 O GLU A 8 7.769 3.938 1.249 1.00 0.00 O ATOM 130 CB GLU A 8 8.325 5.616 4.008 1.00 0.00 C ATOM 131 CG GLU A 8 9.124 6.608 4.842 1.00 0.00 C ATOM 132 CD GLU A 8 8.326 7.843 5.203 1.00 0.00 C ATOM 133 OE1 GLU A 8 7.591 7.801 6.208 1.00 0.00 O ATOM 134 OE2 GLU A 8 8.418 8.855 4.479 1.00 0.00 O ATOM 0 H GLU A 8 7.602 7.800 3.068 1.00 0.00 H new ATOM 0 HA GLU A 8 9.317 5.769 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.298 5.600 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.734 4.618 4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.462 6.119 5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.016 6.905 4.290 1.00 0.00 H new ATOM 141 N ALA A 9 6.058 5.280 1.845 1.00 0.00 N ATOM 142 CA ALA A 9 5.037 4.453 1.208 1.00 0.00 C ATOM 143 C ALA A 9 5.245 4.406 -0.297 1.00 0.00 C ATOM 144 O ALA A 9 5.136 3.346 -0.913 1.00 0.00 O ATOM 145 CB ALA A 9 3.645 4.976 1.532 1.00 0.00 C ATOM 0 H ALA A 9 5.696 6.113 2.309 1.00 0.00 H new ATOM 0 HA ALA A 9 5.128 3.440 1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.898 4.347 1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.491 4.957 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.547 5.999 1.169 1.00 0.00 H new ATOM 151 N LYS A 10 5.547 5.562 -0.880 1.00 0.00 N ATOM 152 CA LYS A 10 5.876 5.652 -2.297 1.00 0.00 C ATOM 153 C LYS A 10 7.016 4.699 -2.652 1.00 0.00 C ATOM 154 O LYS A 10 6.935 3.965 -3.636 1.00 0.00 O ATOM 155 CB LYS A 10 6.263 7.087 -2.654 1.00 0.00 C ATOM 156 CG LYS A 10 5.127 8.081 -2.487 1.00 0.00 C ATOM 157 CD LYS A 10 5.611 9.517 -2.609 1.00 0.00 C ATOM 158 CE LYS A 10 6.238 9.791 -3.967 1.00 0.00 C ATOM 159 NZ LYS A 10 6.684 11.202 -4.093 1.00 0.00 N ATOM 0 H LYS A 10 5.570 6.455 -0.388 1.00 0.00 H new ATOM 0 HA LYS A 10 4.996 5.364 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.100 7.396 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.610 7.115 -3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.363 7.890 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.658 7.937 -1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.774 10.197 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.340 9.722 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.089 9.126 -4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.517 9.566 -4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.106 11.350 -5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.868 11.836 -3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.391 11.409 -3.359 1.00 0.00 H new ATOM 173 N THR A 11 8.065 4.704 -1.838 1.00 0.00 N ATOM 174 CA THR A 11 9.207 3.826 -2.054 1.00 0.00 C ATOM 175 C THR A 11 8.800 2.355 -1.916 1.00 0.00 C ATOM 176 O THR A 11 9.219 1.508 -2.705 1.00 0.00 O ATOM 177 CB THR A 11 10.344 4.144 -1.062 1.00 0.00 C ATOM 178 OG1 THR A 11 10.649 5.544 -1.115 1.00 0.00 O ATOM 179 CG2 THR A 11 11.599 3.339 -1.380 1.00 0.00 C ATOM 0 H THR A 11 8.148 5.308 -1.020 1.00 0.00 H new ATOM 0 HA THR A 11 9.566 4.000 -3.068 1.00 0.00 H new ATOM 0 HB THR A 11 10.008 3.871 -0.062 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.946 6.050 -0.657 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.381 3.586 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.374 2.274 -1.319 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.940 3.580 -2.387 1.00 0.00 H new ATOM 187 N LYS A 12 7.970 2.068 -0.918 1.00 0.00 N ATOM 188 CA LYS A 12 7.474 0.716 -0.696 1.00 0.00 C ATOM 189 C LYS A 12 6.639 0.231 -1.874 1.00 0.00 C ATOM 190 O LYS A 12 6.727 -0.931 -2.270 1.00 0.00 O ATOM 191 CB LYS A 12 6.655 0.660 0.595 1.00 0.00 C ATOM 192 CG LYS A 12 7.502 0.461 1.835 1.00 0.00 C ATOM 193 CD LYS A 12 8.130 -0.920 1.839 1.00 0.00 C ATOM 194 CE LYS A 12 9.030 -1.130 3.042 1.00 0.00 C ATOM 195 NZ LYS A 12 9.600 -2.501 3.064 1.00 0.00 N ATOM 0 H LYS A 12 7.626 2.757 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 12 8.334 0.053 -0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.086 1.584 0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.932 -0.153 0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.282 1.221 1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.887 0.589 2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.345 -1.676 1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.708 -1.059 0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.839 -0.399 3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.463 -0.956 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.444 -2.516 3.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.893 -3.165 3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.863 -2.783 2.098 1.00 0.00 H new ATOM 209 N LEU A 13 5.842 1.130 -2.439 1.00 0.00 N ATOM 210 CA LEU A 13 5.011 0.805 -3.592 1.00 0.00 C ATOM 211 C LEU A 13 5.884 0.425 -4.785 1.00 0.00 C ATOM 212 O LEU A 13 5.532 -0.449 -5.575 1.00 0.00 O ATOM 213 CB LEU A 13 4.108 1.995 -3.942 1.00 0.00 C ATOM 214 CG LEU A 13 3.107 1.760 -5.078 1.00 0.00 C ATOM 215 CD1 LEU A 13 2.175 0.606 -4.744 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.309 3.027 -5.351 1.00 0.00 C ATOM 0 H LEU A 13 5.754 2.093 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 13 4.381 -0.049 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.554 2.282 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.741 2.841 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 13 3.664 1.499 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.473 0.457 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.759 -0.302 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.624 0.835 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.602 2.844 -6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.764 3.315 -4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.988 3.830 -5.637 1.00 0.00 H new ATOM 228 N LYS A 14 7.037 1.075 -4.892 1.00 0.00 N ATOM 229 CA LYS A 14 7.982 0.803 -5.970 1.00 0.00 C ATOM 230 C LYS A 14 8.605 -0.585 -5.819 1.00 0.00 C ATOM 231 O LYS A 14 8.971 -1.219 -6.807 1.00 0.00 O ATOM 232 CB LYS A 14 9.086 1.865 -5.983 1.00 0.00 C ATOM 233 CG LYS A 14 8.569 3.285 -6.152 1.00 0.00 C ATOM 234 CD LYS A 14 9.665 4.312 -5.917 1.00 0.00 C ATOM 235 CE LYS A 14 9.113 5.728 -5.922 1.00 0.00 C ATOM 236 NZ LYS A 14 8.665 6.150 -7.275 1.00 0.00 N ATOM 0 H LYS A 14 7.342 1.799 -4.241 1.00 0.00 H new ATOM 0 HA LYS A 14 7.436 0.835 -6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.649 1.802 -5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.782 1.643 -6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.164 3.408 -7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.750 3.460 -5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.152 4.114 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.427 4.215 -6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.276 5.792 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.879 6.416 -5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.296 7.121 -7.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.469 6.114 -7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.916 5.510 -7.608 1.00 0.00 H new ATOM 250 N ASN A 15 8.711 -1.053 -4.578 1.00 0.00 N ATOM 251 CA ASN A 15 9.307 -2.361 -4.297 1.00 0.00 C ATOM 252 C ASN A 15 8.350 -3.490 -4.664 1.00 0.00 C ATOM 253 O ASN A 15 8.741 -4.659 -4.726 1.00 0.00 O ATOM 254 CB ASN A 15 9.698 -2.483 -2.820 1.00 0.00 C ATOM 255 CG ASN A 15 10.846 -1.571 -2.431 1.00 0.00 C ATOM 256 OD1 ASN A 15 11.667 -1.193 -3.266 1.00 0.00 O ATOM 257 ND2 ASN A 15 10.928 -1.237 -1.151 1.00 0.00 N ATOM 0 H ASN A 15 8.393 -0.549 -3.750 1.00 0.00 H new ATOM 0 HA ASN A 15 10.205 -2.445 -4.909 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.832 -2.251 -2.201 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.974 -3.516 -2.608 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.693 -0.645 -0.826 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.226 -1.572 -0.491 1.00 0.00 H new ATOM 264 N ILE A 16 7.098 -3.136 -4.902 1.00 0.00 N ATOM 265 CA ILE A 16 6.088 -4.103 -5.298 1.00 0.00 C ATOM 266 C ILE A 16 6.156 -4.336 -6.808 1.00 0.00 C ATOM 267 O ILE A 16 6.385 -3.396 -7.572 1.00 0.00 O ATOM 268 CB ILE A 16 4.676 -3.615 -4.884 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.611 -3.467 -3.361 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.589 -4.564 -5.377 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.275 -2.980 -2.844 1.00 0.00 C ATOM 0 H ILE A 16 6.755 -2.178 -4.827 1.00 0.00 H new ATOM 0 HA ILE A 16 6.283 -5.046 -4.788 1.00 0.00 H new ATOM 0 HB ILE A 16 4.497 -2.646 -5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.836 -4.430 -2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.388 -2.772 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.613 -4.190 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.627 -4.627 -6.465 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.750 -5.554 -4.951 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.312 -2.902 -1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.054 -2.002 -3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.495 -3.685 -3.131 1.00 0.00 H new ATOM 283 N PRO A 17 6.018 -5.599 -7.252 1.00 0.00 N ATOM 284 CA PRO A 17 6.025 -5.945 -8.678 1.00 0.00 C ATOM 285 C PRO A 17 4.991 -5.152 -9.474 1.00 0.00 C ATOM 286 O PRO A 17 3.841 -5.011 -9.049 1.00 0.00 O ATOM 287 CB PRO A 17 5.680 -7.438 -8.686 1.00 0.00 C ATOM 288 CG PRO A 17 6.102 -7.931 -7.348 1.00 0.00 C ATOM 289 CD PRO A 17 5.861 -6.793 -6.400 1.00 0.00 C ATOM 0 HA PRO A 17 6.981 -5.714 -9.147 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.614 -7.597 -8.848 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.206 -7.961 -9.485 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.529 -8.811 -7.057 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.153 -8.222 -7.351 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.866 -6.843 -5.957 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.576 -6.797 -5.578 1.00 0.00 H new ATOM 297 N PHE A 18 5.407 -4.666 -10.636 1.00 0.00 N ATOM 298 CA PHE A 18 4.584 -3.791 -11.471 1.00 0.00 C ATOM 299 C PHE A 18 3.252 -4.438 -11.843 1.00 0.00 C ATOM 300 O PHE A 18 2.226 -3.761 -11.912 1.00 0.00 O ATOM 301 CB PHE A 18 5.380 -3.393 -12.724 1.00 0.00 C ATOM 302 CG PHE A 18 4.545 -3.117 -13.946 1.00 0.00 C ATOM 303 CD1 PHE A 18 3.876 -1.914 -14.095 1.00 0.00 C ATOM 304 CD2 PHE A 18 4.443 -4.066 -14.953 1.00 0.00 C ATOM 305 CE1 PHE A 18 3.116 -1.664 -15.223 1.00 0.00 C ATOM 306 CE2 PHE A 18 3.686 -3.820 -16.081 1.00 0.00 C ATOM 307 CZ PHE A 18 3.023 -2.618 -16.217 1.00 0.00 C ATOM 0 H PHE A 18 6.326 -4.866 -11.030 1.00 0.00 H new ATOM 0 HA PHE A 18 4.340 -2.896 -10.898 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.968 -2.504 -12.496 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.085 -4.191 -12.957 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.948 -1.163 -13.322 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.962 -5.008 -14.853 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.596 -0.723 -15.326 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.613 -4.568 -16.856 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.432 -2.423 -17.100 1.00 0.00 H new ATOM 317 N PHE A 19 3.264 -5.745 -12.057 1.00 0.00 N ATOM 318 CA PHE A 19 2.055 -6.463 -12.449 1.00 0.00 C ATOM 319 C PHE A 19 0.968 -6.358 -11.377 1.00 0.00 C ATOM 320 O PHE A 19 -0.224 -6.374 -11.684 1.00 0.00 O ATOM 321 CB PHE A 19 2.374 -7.934 -12.722 1.00 0.00 C ATOM 322 CG PHE A 19 3.369 -8.143 -13.828 1.00 0.00 C ATOM 323 CD1 PHE A 19 2.968 -8.107 -15.155 1.00 0.00 C ATOM 324 CD2 PHE A 19 4.706 -8.373 -13.543 1.00 0.00 C ATOM 325 CE1 PHE A 19 3.882 -8.297 -16.176 1.00 0.00 C ATOM 326 CE2 PHE A 19 5.624 -8.564 -14.558 1.00 0.00 C ATOM 327 CZ PHE A 19 5.210 -8.525 -15.877 1.00 0.00 C ATOM 0 H PHE A 19 4.094 -6.331 -11.967 1.00 0.00 H new ATOM 0 HA PHE A 19 1.678 -6.000 -13.361 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.759 -8.388 -11.809 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.451 -8.456 -12.973 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.930 -7.929 -15.394 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.034 -8.403 -12.515 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.557 -8.267 -17.205 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.662 -8.743 -14.322 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.925 -8.673 -16.672 1.00 0.00 H new ATOM 337 N ALA A 20 1.381 -6.220 -10.124 1.00 0.00 N ATOM 338 CA ALA A 20 0.439 -6.212 -9.017 1.00 0.00 C ATOM 339 C ALA A 20 0.458 -4.887 -8.261 1.00 0.00 C ATOM 340 O ALA A 20 -0.089 -4.793 -7.168 1.00 0.00 O ATOM 341 CB ALA A 20 0.741 -7.357 -8.062 1.00 0.00 C ATOM 0 H ALA A 20 2.358 -6.113 -9.851 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.559 -6.340 -9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.029 -7.340 -7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.659 -8.305 -8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.752 -7.247 -7.670 1.00 0.00 H new ATOM 347 N ARG A 21 1.071 -3.862 -8.841 1.00 0.00 N ATOM 348 CA ARG A 21 1.167 -2.572 -8.163 1.00 0.00 C ATOM 349 C ARG A 21 -0.181 -1.865 -8.109 1.00 0.00 C ATOM 350 O ARG A 21 -0.546 -1.308 -7.076 1.00 0.00 O ATOM 351 CB ARG A 21 2.221 -1.674 -8.804 1.00 0.00 C ATOM 352 CG ARG A 21 3.617 -1.965 -8.295 1.00 0.00 C ATOM 353 CD ARG A 21 4.549 -0.785 -8.481 1.00 0.00 C ATOM 354 NE ARG A 21 4.881 -0.540 -9.880 1.00 0.00 N ATOM 355 CZ ARG A 21 6.132 -0.468 -10.325 1.00 0.00 C ATOM 356 NH1 ARG A 21 7.141 -0.733 -9.502 1.00 0.00 N ATOM 357 NH2 ARG A 21 6.376 -0.150 -11.587 1.00 0.00 N ATOM 0 H ARG A 21 1.503 -3.895 -9.764 1.00 0.00 H new ATOM 0 HA ARG A 21 1.481 -2.776 -7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.197 -1.806 -9.886 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.975 -0.631 -8.605 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.570 -2.226 -7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.020 -2.831 -8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.085 0.108 -8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.467 -0.961 -7.920 1.00 0.00 H new ATOM 0 HE ARG A 21 4.119 -0.418 -10.547 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.954 -0.991 -8.533 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.102 -0.679 -9.839 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.602 0.041 -12.223 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.338 -0.096 -11.923 1.00 0.00 H new ATOM 371 N SER A 22 -0.915 -1.888 -9.212 1.00 0.00 N ATOM 372 CA SER A 22 -2.272 -1.361 -9.230 1.00 0.00 C ATOM 373 C SER A 22 -3.137 -2.144 -8.246 1.00 0.00 C ATOM 374 O SER A 22 -3.919 -1.569 -7.484 1.00 0.00 O ATOM 375 CB SER A 22 -2.852 -1.453 -10.643 1.00 0.00 C ATOM 376 OG SER A 22 -4.176 -0.941 -10.700 1.00 0.00 O ATOM 0 H SER A 22 -0.595 -2.265 -10.104 1.00 0.00 H new ATOM 0 HA SER A 22 -2.257 -0.313 -8.931 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.217 -0.899 -11.334 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.849 -2.492 -10.971 1.00 0.00 H new ATOM 0 HG SER A 22 -4.516 -1.013 -11.616 1.00 0.00 H new ATOM 382 N GLN A 23 -2.967 -3.463 -8.266 1.00 0.00 N ATOM 383 CA GLN A 23 -3.651 -4.356 -7.342 1.00 0.00 C ATOM 384 C GLN A 23 -3.348 -3.969 -5.895 1.00 0.00 C ATOM 385 O GLN A 23 -4.258 -3.807 -5.078 1.00 0.00 O ATOM 386 CB GLN A 23 -3.211 -5.801 -7.606 1.00 0.00 C ATOM 387 CG GLN A 23 -3.792 -6.814 -6.632 1.00 0.00 C ATOM 388 CD GLN A 23 -5.285 -6.996 -6.793 1.00 0.00 C ATOM 389 OE1 GLN A 23 -5.737 -7.853 -7.550 1.00 0.00 O ATOM 390 NE2 GLN A 23 -6.061 -6.189 -6.087 1.00 0.00 N ATOM 0 H GLN A 23 -2.351 -3.941 -8.924 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.726 -4.271 -7.500 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.502 -6.079 -8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.123 -5.852 -7.561 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.296 -7.774 -6.776 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.578 -6.494 -5.612 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.644 -5.491 -5.470 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.076 -6.265 -6.159 1.00 0.00 H new ATOM 399 N ALA A 24 -2.065 -3.814 -5.594 1.00 0.00 N ATOM 400 CA ALA A 24 -1.621 -3.479 -4.251 1.00 0.00 C ATOM 401 C ALA A 24 -2.104 -2.098 -3.835 1.00 0.00 C ATOM 402 O ALA A 24 -2.586 -1.924 -2.721 1.00 0.00 O ATOM 403 CB ALA A 24 -0.108 -3.558 -4.157 1.00 0.00 C ATOM 0 H ALA A 24 -1.309 -3.917 -6.271 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.056 -4.207 -3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.207 -3.304 -3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.219 -4.570 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.337 -2.857 -4.862 1.00 0.00 H new ATOM 409 N LYS A 25 -1.982 -1.124 -4.735 1.00 0.00 N ATOM 410 CA LYS A 25 -2.404 0.245 -4.452 1.00 0.00 C ATOM 411 C LYS A 25 -3.862 0.279 -4.005 1.00 0.00 C ATOM 412 O LYS A 25 -4.209 0.954 -3.033 1.00 0.00 O ATOM 413 CB LYS A 25 -2.210 1.123 -5.689 1.00 0.00 C ATOM 414 CG LYS A 25 -2.538 2.589 -5.458 1.00 0.00 C ATOM 415 CD LYS A 25 -2.238 3.426 -6.689 1.00 0.00 C ATOM 416 CE LYS A 25 -2.537 4.901 -6.461 1.00 0.00 C ATOM 417 NZ LYS A 25 -3.974 5.147 -6.167 1.00 0.00 N ATOM 0 H LYS A 25 -1.593 -1.259 -5.668 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.788 0.634 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.176 1.040 -6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.837 0.743 -6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.591 2.690 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.961 2.963 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.190 3.306 -6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.830 3.061 -7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.931 5.268 -5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.247 5.469 -7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.389 5.726 -6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.477 4.239 -6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.062 5.648 -5.260 1.00 0.00 H new ATOM 431 N ALA A 26 -4.702 -0.479 -4.702 1.00 0.00 N ATOM 432 CA ALA A 26 -6.114 -0.567 -4.358 1.00 0.00 C ATOM 433 C ALA A 26 -6.283 -1.116 -2.945 1.00 0.00 C ATOM 434 O ALA A 26 -7.111 -0.630 -2.172 1.00 0.00 O ATOM 435 CB ALA A 26 -6.847 -1.444 -5.358 1.00 0.00 C ATOM 0 H ALA A 26 -4.428 -1.041 -5.508 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.544 0.434 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.902 -1.501 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.750 -1.017 -6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.416 -2.445 -5.349 1.00 0.00 H new ATOM 441 N ARG A 27 -5.480 -2.118 -2.611 1.00 0.00 N ATOM 442 CA ARG A 27 -5.524 -2.726 -1.286 1.00 0.00 C ATOM 443 C ARG A 27 -5.055 -1.739 -0.218 1.00 0.00 C ATOM 444 O ARG A 27 -5.728 -1.539 0.791 1.00 0.00 O ATOM 445 CB ARG A 27 -4.647 -3.979 -1.252 1.00 0.00 C ATOM 446 CG ARG A 27 -4.991 -4.989 -2.333 1.00 0.00 C ATOM 447 CD ARG A 27 -6.362 -5.599 -2.121 1.00 0.00 C ATOM 448 NE ARG A 27 -6.359 -6.592 -1.053 1.00 0.00 N ATOM 449 CZ ARG A 27 -7.445 -7.219 -0.619 1.00 0.00 C ATOM 450 NH1 ARG A 27 -8.625 -6.979 -1.181 1.00 0.00 N ATOM 451 NH2 ARG A 27 -7.336 -8.098 0.367 1.00 0.00 N ATOM 0 H ARG A 27 -4.789 -2.528 -3.240 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.557 -3.003 -1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.603 -3.685 -1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.745 -4.455 -0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.957 -4.503 -3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.240 -5.779 -2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.076 -4.811 -1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.699 -6.064 -3.047 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.467 -6.819 -0.613 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.698 -6.311 -1.948 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.458 -7.463 -0.845 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.424 -8.286 0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.164 -8.586 0.709 1.00 0.00 H new ATOM 465 N ILE A 28 -3.912 -1.114 -0.467 1.00 0.00 N ATOM 466 CA ILE A 28 -3.291 -0.192 0.486 1.00 0.00 C ATOM 467 C ILE A 28 -4.237 0.944 0.867 1.00 0.00 C ATOM 468 O ILE A 28 -4.455 1.218 2.048 1.00 0.00 O ATOM 469 CB ILE A 28 -1.990 0.402 -0.096 1.00 0.00 C ATOM 470 CG1 ILE A 28 -1.003 -0.718 -0.424 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.368 1.398 0.878 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.160 -0.273 -1.280 1.00 0.00 C ATOM 0 H ILE A 28 -3.386 -1.229 -1.333 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.059 -0.767 1.383 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.232 0.935 -1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.619 -1.135 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.534 -1.519 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.453 1.804 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.071 2.209 1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.135 0.893 1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.817 -1.122 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.213 0.117 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.717 0.507 -0.761 1.00 0.00 H new ATOM 484 N GLU A 29 -4.811 1.589 -0.139 1.00 0.00 N ATOM 485 CA GLU A 29 -5.697 2.721 0.091 1.00 0.00 C ATOM 486 C GLU A 29 -6.995 2.275 0.767 1.00 0.00 C ATOM 487 O GLU A 29 -7.585 3.020 1.553 1.00 0.00 O ATOM 488 CB GLU A 29 -5.970 3.441 -1.233 1.00 0.00 C ATOM 489 CG GLU A 29 -4.697 3.970 -1.880 1.00 0.00 C ATOM 490 CD GLU A 29 -4.921 4.569 -3.252 1.00 0.00 C ATOM 491 OE1 GLU A 29 -5.547 3.903 -4.104 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.435 5.696 -3.504 1.00 0.00 O ATOM 0 H GLU A 29 -4.679 1.348 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.209 3.421 0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.466 2.756 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.657 4.269 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.255 4.725 -1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.975 3.157 -1.960 1.00 0.00 H new ATOM 499 N GLN A 30 -7.422 1.047 0.488 1.00 0.00 N ATOM 500 CA GLN A 30 -8.605 0.488 1.133 1.00 0.00 C ATOM 501 C GLN A 30 -8.306 0.185 2.601 1.00 0.00 C ATOM 502 O GLN A 30 -9.164 0.345 3.471 1.00 0.00 O ATOM 503 CB GLN A 30 -9.064 -0.780 0.410 1.00 0.00 C ATOM 504 CG GLN A 30 -10.425 -1.282 0.868 1.00 0.00 C ATOM 505 CD GLN A 30 -10.884 -2.522 0.123 1.00 0.00 C ATOM 506 OE1 GLN A 30 -9.950 -3.390 -0.229 1.00 0.00 O flip ATOM 507 NE2 GLN A 30 -12.078 -2.714 -0.109 1.00 0.00 N flip ATOM 0 H GLN A 30 -6.968 0.422 -0.178 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.410 1.221 1.081 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.100 -0.585 -0.662 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.325 -1.565 0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.385 -1.501 1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.162 -0.490 0.733 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.771 -2.022 0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -12.374 -3.565 -0.587 1.00 0.00 H new ATOM 516 N LEU A 31 -7.074 -0.243 2.868 1.00 0.00 N ATOM 517 CA LEU A 31 -6.618 -0.491 4.231 1.00 0.00 C ATOM 518 C LEU A 31 -6.615 0.810 5.026 1.00 0.00 C ATOM 519 O LEU A 31 -6.977 0.840 6.206 1.00 0.00 O ATOM 520 CB LEU A 31 -5.214 -1.108 4.218 1.00 0.00 C ATOM 521 CG LEU A 31 -5.121 -2.508 3.601 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.677 -2.870 3.303 1.00 0.00 C ATOM 523 CD2 LEU A 31 -5.741 -3.539 4.530 1.00 0.00 C ATOM 0 H LEU A 31 -6.371 -0.426 2.152 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.302 -1.193 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.547 -0.442 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.846 -1.155 5.243 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.675 -2.504 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.635 -3.868 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.258 -2.148 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.100 -2.854 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.667 -4.528 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.211 -3.535 5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.790 -3.294 4.697 1.00 0.00 H new ATOM 535 N ALA A 32 -6.224 1.891 4.364 1.00 0.00 N ATOM 536 CA ALA A 32 -6.233 3.208 4.982 1.00 0.00 C ATOM 537 C ALA A 32 -7.649 3.607 5.378 1.00 0.00 C ATOM 538 O ALA A 32 -7.862 4.224 6.418 1.00 0.00 O ATOM 539 CB ALA A 32 -5.627 4.240 4.046 1.00 0.00 C ATOM 0 H ALA A 32 -5.897 1.880 3.398 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.626 3.166 5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.642 5.219 4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.598 3.964 3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.206 4.279 3.123 1.00 0.00 H new ATOM 545 N ARG A 33 -8.623 3.237 4.555 1.00 0.00 N ATOM 546 CA ARG A 33 -10.017 3.509 4.865 1.00 0.00 C ATOM 547 C ARG A 33 -10.511 2.611 5.991 1.00 0.00 C ATOM 548 O ARG A 33 -11.432 2.972 6.719 1.00 0.00 O ATOM 549 CB ARG A 33 -10.894 3.332 3.631 1.00 0.00 C ATOM 550 CG ARG A 33 -10.529 4.270 2.496 1.00 0.00 C ATOM 551 CD ARG A 33 -10.439 5.717 2.964 1.00 0.00 C ATOM 552 NE ARG A 33 -11.584 6.120 3.786 1.00 0.00 N ATOM 553 CZ ARG A 33 -12.424 7.096 3.464 1.00 0.00 C ATOM 554 NH1 ARG A 33 -12.360 7.670 2.268 1.00 0.00 N ATOM 555 NH2 ARG A 33 -13.356 7.471 4.329 1.00 0.00 N ATOM 0 H ARG A 33 -8.472 2.750 3.672 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.086 4.546 5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.815 2.302 3.282 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.936 3.495 3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.574 3.967 2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.274 4.190 1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.521 5.853 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.373 6.372 2.095 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.745 5.619 4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.662 7.361 1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.008 8.419 2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.425 7.010 5.236 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.004 8.220 4.087 1.00 0.00 H new ATOM 569 N GLN A 34 -9.890 1.447 6.139 1.00 0.00 N ATOM 570 CA GLN A 34 -10.212 0.550 7.241 1.00 0.00 C ATOM 571 C GLN A 34 -9.764 1.186 8.553 1.00 0.00 C ATOM 572 O GLN A 34 -10.319 0.918 9.618 1.00 0.00 O ATOM 573 CB GLN A 34 -9.528 -0.808 7.045 1.00 0.00 C ATOM 574 CG GLN A 34 -10.048 -1.901 7.968 1.00 0.00 C ATOM 575 CD GLN A 34 -9.306 -3.217 7.804 1.00 0.00 C ATOM 576 OE1 GLN A 34 -8.012 -3.147 7.535 1.00 0.00 O flip ATOM 577 NE2 GLN A 34 -9.888 -4.292 7.950 1.00 0.00 N flip ATOM 0 H GLN A 34 -9.163 1.103 5.512 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.289 0.385 7.268 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.662 -1.125 6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.456 -0.690 7.206 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.962 -1.568 9.002 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.108 -2.061 7.772 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.887 -4.307 8.157 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.371 -5.167 7.864 1.00 0.00 H new ATOM 586 N ALA A 35 -8.756 2.045 8.452 1.00 0.00 N ATOM 587 CA ALA A 35 -8.252 2.789 9.599 1.00 0.00 C ATOM 588 C ALA A 35 -8.781 4.225 9.600 1.00 0.00 C ATOM 589 O ALA A 35 -8.530 4.989 10.536 1.00 0.00 O ATOM 590 CB ALA A 35 -6.733 2.788 9.588 1.00 0.00 C ATOM 0 H ALA A 35 -8.268 2.244 7.579 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.605 2.300 10.507 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.363 3.346 10.448 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.369 1.762 9.637 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.375 3.256 8.671 1.00 0.00 H new ATOM 596 N GLU A 36 -9.511 4.576 8.539 1.00 0.00 N ATOM 597 CA GLU A 36 -10.067 5.919 8.360 1.00 0.00 C ATOM 598 C GLU A 36 -8.989 6.992 8.402 1.00 0.00 C ATOM 599 O GLU A 36 -9.175 8.064 8.983 1.00 0.00 O ATOM 600 CB GLU A 36 -11.150 6.199 9.395 1.00 0.00 C ATOM 601 CG GLU A 36 -12.516 5.714 8.951 1.00 0.00 C ATOM 602 CD GLU A 36 -13.024 6.461 7.730 1.00 0.00 C ATOM 603 OE1 GLU A 36 -13.499 7.604 7.884 1.00 0.00 O ATOM 604 OE2 GLU A 36 -12.959 5.906 6.611 1.00 0.00 O ATOM 0 H GLU A 36 -9.734 3.935 7.778 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.519 5.953 7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.884 5.715 10.335 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.194 7.271 9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.466 4.648 8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.226 5.835 9.769 1.00 0.00 H new ATOM 611 N GLN A 37 -7.878 6.700 7.756 1.00 0.00 N ATOM 612 CA GLN A 37 -6.774 7.638 7.651 1.00 0.00 C ATOM 613 C GLN A 37 -6.655 8.123 6.212 1.00 0.00 C ATOM 614 O GLN A 37 -6.919 7.371 5.275 1.00 0.00 O ATOM 615 CB GLN A 37 -5.473 6.969 8.111 1.00 0.00 C ATOM 616 CG GLN A 37 -5.102 5.732 7.305 1.00 0.00 C ATOM 617 CD GLN A 37 -4.095 4.840 8.006 1.00 0.00 C ATOM 618 OE1 GLN A 37 -4.093 3.625 7.819 1.00 0.00 O ATOM 619 NE2 GLN A 37 -3.237 5.428 8.820 1.00 0.00 N ATOM 0 H GLN A 37 -7.713 5.808 7.289 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.961 8.497 8.295 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.660 7.692 8.045 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.569 6.692 9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.005 5.157 7.098 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.695 6.042 6.343 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.269 6.439 8.950 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.543 4.871 9.318 1.00 0.00 H new ATOM 628 N ASP A 38 -6.273 9.379 6.040 1.00 0.00 N ATOM 629 CA ASP A 38 -6.151 9.961 4.707 1.00 0.00 C ATOM 630 C ASP A 38 -4.751 9.728 4.172 1.00 0.00 C ATOM 631 O ASP A 38 -4.480 9.911 2.985 1.00 0.00 O ATOM 632 CB ASP A 38 -6.431 11.468 4.733 1.00 0.00 C ATOM 633 CG ASP A 38 -7.785 11.823 5.315 1.00 0.00 C ATOM 634 OD1 ASP A 38 -8.782 11.841 4.560 1.00 0.00 O ATOM 635 OD2 ASP A 38 -7.853 12.110 6.530 1.00 0.00 O ATOM 0 H ASP A 38 -6.042 10.016 6.803 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.885 9.479 4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.654 11.964 5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.368 11.859 3.717 1.00 0.00 H new ATOM 640 N ILE A 39 -3.862 9.326 5.066 1.00 0.00 N ATOM 641 CA ILE A 39 -2.458 9.153 4.740 1.00 0.00 C ATOM 642 C ILE A 39 -2.066 7.691 4.886 1.00 0.00 C ATOM 643 O ILE A 39 -2.333 7.075 5.916 1.00 0.00 O ATOM 644 CB ILE A 39 -1.573 10.014 5.668 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.046 11.470 5.652 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.112 9.926 5.250 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.395 12.336 6.706 1.00 0.00 C ATOM 0 H ILE A 39 -4.094 9.111 6.036 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.305 9.472 3.709 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.662 9.629 6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.844 11.897 4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.127 11.493 5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.495 10.539 5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.221 8.890 5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.004 10.286 4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.781 13.353 6.631 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.618 11.935 7.695 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.316 12.346 6.553 1.00 0.00 H new ATOM 659 N VAL A 40 -1.445 7.135 3.859 1.00 0.00 N ATOM 660 CA VAL A 40 -1.017 5.749 3.907 1.00 0.00 C ATOM 661 C VAL A 40 0.443 5.660 4.333 1.00 0.00 C ATOM 662 O VAL A 40 1.295 6.435 3.876 1.00 0.00 O ATOM 663 CB VAL A 40 -1.217 5.016 2.555 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.648 5.160 2.065 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.240 5.511 1.501 1.00 0.00 C ATOM 0 H VAL A 40 -1.228 7.619 2.988 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.647 5.250 4.643 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.016 3.958 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.762 4.637 1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.329 4.730 2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.881 6.216 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.410 4.975 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.390 6.578 1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.781 5.335 1.840 1.00 0.00 H new ATOM 675 N THR A 41 0.723 4.741 5.229 1.00 0.00 N ATOM 676 CA THR A 41 2.077 4.517 5.685 1.00 0.00 C ATOM 677 C THR A 41 2.694 3.355 4.918 1.00 0.00 C ATOM 678 O THR A 41 1.973 2.557 4.306 1.00 0.00 O ATOM 679 CB THR A 41 2.103 4.215 7.197 1.00 0.00 C ATOM 680 OG1 THR A 41 1.313 3.052 7.475 1.00 0.00 O ATOM 681 CG2 THR A 41 1.572 5.399 7.994 1.00 0.00 C ATOM 0 H THR A 41 0.026 4.133 5.659 1.00 0.00 H new ATOM 0 HA THR A 41 2.656 5.422 5.503 1.00 0.00 H new ATOM 0 HB THR A 41 3.136 4.033 7.493 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.335 2.864 8.437 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.600 5.163 9.058 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.191 6.275 7.800 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.545 5.607 7.695 1.00 0.00 H new ATOM 689 N PRO A 42 4.030 3.234 4.926 1.00 0.00 N ATOM 690 CA PRO A 42 4.720 2.103 4.298 1.00 0.00 C ATOM 691 C PRO A 42 4.317 0.777 4.935 1.00 0.00 C ATOM 692 O PRO A 42 4.495 -0.293 4.355 1.00 0.00 O ATOM 693 CB PRO A 42 6.205 2.390 4.555 1.00 0.00 C ATOM 694 CG PRO A 42 6.222 3.364 5.685 1.00 0.00 C ATOM 695 CD PRO A 42 4.978 4.186 5.531 1.00 0.00 C ATOM 0 HA PRO A 42 4.477 2.010 3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.744 1.478 4.812 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.685 2.805 3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.235 2.849 6.646 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.113 3.991 5.648 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.619 4.560 6.490 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.143 5.054 4.892 1.00 0.00 H new ATOM 703 N GLU A 43 3.759 0.871 6.133 1.00 0.00 N ATOM 704 CA GLU A 43 3.291 -0.289 6.870 1.00 0.00 C ATOM 705 C GLU A 43 2.046 -0.872 6.205 1.00 0.00 C ATOM 706 O GLU A 43 1.890 -2.089 6.112 1.00 0.00 O ATOM 707 CB GLU A 43 3.003 0.119 8.314 1.00 0.00 C ATOM 708 CG GLU A 43 4.231 0.679 9.015 1.00 0.00 C ATOM 709 CD GLU A 43 3.899 1.431 10.284 1.00 0.00 C ATOM 710 OE1 GLU A 43 3.550 0.786 11.292 1.00 0.00 O ATOM 711 OE2 GLU A 43 3.998 2.675 10.281 1.00 0.00 O ATOM 0 H GLU A 43 3.619 1.756 6.620 1.00 0.00 H new ATOM 0 HA GLU A 43 4.060 -1.061 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.209 0.866 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.636 -0.746 8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.911 -0.139 9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.759 1.345 8.333 1.00 0.00 H new ATOM 718 N LEU A 44 1.171 0.008 5.725 1.00 0.00 N ATOM 719 CA LEU A 44 -0.004 -0.411 4.964 1.00 0.00 C ATOM 720 C LEU A 44 0.416 -1.014 3.632 1.00 0.00 C ATOM 721 O LEU A 44 -0.139 -2.020 3.189 1.00 0.00 O ATOM 722 CB LEU A 44 -0.939 0.771 4.707 1.00 0.00 C ATOM 723 CG LEU A 44 -1.997 1.031 5.780 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.358 1.323 7.129 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.885 2.183 5.353 1.00 0.00 C ATOM 0 H LEU A 44 1.253 1.017 5.850 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.533 -1.160 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.334 1.671 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.446 0.608 3.756 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.602 0.131 5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.137 1.503 7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.754 0.470 7.438 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.724 2.206 7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.638 2.366 6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.279 3.079 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.378 1.934 4.413 1.00 0.00 H new ATOM 737 N VAL A 45 1.398 -0.383 3.001 1.00 0.00 N ATOM 738 CA VAL A 45 1.932 -0.872 1.737 1.00 0.00 C ATOM 739 C VAL A 45 2.515 -2.269 1.913 1.00 0.00 C ATOM 740 O VAL A 45 2.297 -3.158 1.087 1.00 0.00 O ATOM 741 CB VAL A 45 3.020 0.067 1.181 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.497 -0.409 -0.180 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.503 1.491 1.091 1.00 0.00 C ATOM 0 H VAL A 45 1.841 0.469 3.344 1.00 0.00 H new ATOM 0 HA VAL A 45 1.107 -0.904 1.026 1.00 0.00 H new ATOM 0 HB VAL A 45 3.866 0.049 1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.265 0.268 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.912 -1.413 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.657 -0.425 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.286 2.138 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.638 1.523 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.213 1.836 2.083 1.00 0.00 H new ATOM 753 N GLU A 46 3.244 -2.455 3.009 1.00 0.00 N ATOM 754 CA GLU A 46 3.835 -3.744 3.330 1.00 0.00 C ATOM 755 C GLU A 46 2.737 -4.784 3.530 1.00 0.00 C ATOM 756 O GLU A 46 2.831 -5.888 3.015 1.00 0.00 O ATOM 757 CB GLU A 46 4.700 -3.639 4.590 1.00 0.00 C ATOM 758 CG GLU A 46 5.633 -4.825 4.797 1.00 0.00 C ATOM 759 CD GLU A 46 6.761 -4.861 3.783 1.00 0.00 C ATOM 760 OE1 GLU A 46 7.796 -4.195 4.020 1.00 0.00 O ATOM 761 OE2 GLU A 46 6.629 -5.551 2.753 1.00 0.00 O ATOM 0 H GLU A 46 3.439 -1.723 3.692 1.00 0.00 H new ATOM 0 HA GLU A 46 4.471 -4.053 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.294 -2.727 4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.049 -3.545 5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.053 -4.781 5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.060 -5.750 4.731 1.00 0.00 H new ATOM 768 N GLN A 47 1.684 -4.406 4.258 1.00 0.00 N ATOM 769 CA GLN A 47 0.558 -5.304 4.523 1.00 0.00 C ATOM 770 C GLN A 47 0.001 -5.902 3.235 1.00 0.00 C ATOM 771 O GLN A 47 -0.177 -7.116 3.140 1.00 0.00 O ATOM 772 CB GLN A 47 -0.554 -4.563 5.273 1.00 0.00 C ATOM 773 CG GLN A 47 -0.314 -4.422 6.768 1.00 0.00 C ATOM 774 CD GLN A 47 -0.691 -5.667 7.561 1.00 0.00 C ATOM 775 OE1 GLN A 47 -0.628 -6.832 6.931 1.00 0.00 O flip ATOM 776 NE2 GLN A 47 -1.069 -5.576 8.727 1.00 0.00 N flip ATOM 0 H GLN A 47 1.588 -3.481 4.676 1.00 0.00 H new ATOM 0 HA GLN A 47 0.930 -6.119 5.143 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.669 -3.569 4.840 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.495 -5.090 5.116 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.738 -4.196 6.940 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.888 -3.574 7.142 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.105 -4.664 9.182 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.346 -6.413 9.240 1.00 0.00 H new ATOM 785 N ALA A 48 -0.250 -5.053 2.245 1.00 0.00 N ATOM 786 CA ALA A 48 -0.777 -5.510 0.964 1.00 0.00 C ATOM 787 C ALA A 48 0.226 -6.413 0.257 1.00 0.00 C ATOM 788 O ALA A 48 -0.141 -7.388 -0.398 1.00 0.00 O ATOM 789 CB ALA A 48 -1.134 -4.322 0.087 1.00 0.00 C ATOM 0 H ALA A 48 -0.097 -4.046 2.304 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.681 -6.089 1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.526 -4.678 -0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.889 -3.715 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.243 -3.719 -0.090 1.00 0.00 H new ATOM 795 N ARG A 49 1.499 -6.096 0.421 1.00 0.00 N ATOM 796 CA ARG A 49 2.560 -6.861 -0.208 1.00 0.00 C ATOM 797 C ARG A 49 2.686 -8.225 0.462 1.00 0.00 C ATOM 798 O ARG A 49 2.941 -9.242 -0.188 1.00 0.00 O ATOM 799 CB ARG A 49 3.875 -6.097 -0.103 1.00 0.00 C ATOM 800 CG ARG A 49 5.045 -6.802 -0.756 1.00 0.00 C ATOM 801 CD ARG A 49 6.355 -6.162 -0.357 1.00 0.00 C ATOM 802 NE ARG A 49 7.498 -6.987 -0.732 1.00 0.00 N ATOM 803 CZ ARG A 49 8.322 -7.557 0.144 1.00 0.00 C ATOM 804 NH1 ARG A 49 8.180 -7.324 1.444 1.00 0.00 N ATOM 805 NH2 ARG A 49 9.300 -8.341 -0.285 1.00 0.00 N ATOM 0 H ARG A 49 1.823 -5.311 0.987 1.00 0.00 H new ATOM 0 HA ARG A 49 2.320 -7.011 -1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.752 -5.116 -0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.105 -5.930 0.949 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.047 -7.853 -0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.935 -6.769 -1.840 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.441 -5.184 -0.831 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.365 -5.995 0.720 1.00 0.00 H new ATOM 0 HE ARG A 49 7.676 -7.136 -1.725 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.438 -6.707 1.773 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.813 -7.762 2.113 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.420 -8.506 -1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.933 -8.779 0.384 1.00 0.00 H new ATOM 819 N LEU A 50 2.481 -8.230 1.768 1.00 0.00 N ATOM 820 CA LEU A 50 2.603 -9.430 2.573 1.00 0.00 C ATOM 821 C LEU A 50 1.429 -10.365 2.326 1.00 0.00 C ATOM 822 O LEU A 50 1.615 -11.572 2.190 1.00 0.00 O ATOM 823 CB LEU A 50 2.682 -9.058 4.056 1.00 0.00 C ATOM 824 CG LEU A 50 3.802 -9.746 4.843 1.00 0.00 C ATOM 825 CD1 LEU A 50 3.554 -11.242 4.946 1.00 0.00 C ATOM 826 CD2 LEU A 50 5.143 -9.476 4.181 1.00 0.00 C ATOM 0 H LEU A 50 2.225 -7.399 2.300 1.00 0.00 H new ATOM 0 HA LEU A 50 3.518 -9.949 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.813 -7.979 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.729 -9.299 4.526 1.00 0.00 H new ATOM 0 HG LEU A 50 3.816 -9.336 5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.363 -11.707 5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.608 -11.420 5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.513 -11.674 3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.934 -9.969 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.130 -9.863 3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.328 -8.402 4.159 1.00 0.00 H new ATOM 838 N GLU A 51 0.224 -9.810 2.252 1.00 0.00 N ATOM 839 CA GLU A 51 -0.964 -10.627 2.043 1.00 0.00 C ATOM 840 C GLU A 51 -0.885 -11.355 0.706 1.00 0.00 C ATOM 841 O GLU A 51 -1.261 -12.523 0.613 1.00 0.00 O ATOM 842 CB GLU A 51 -2.248 -9.794 2.141 1.00 0.00 C ATOM 843 CG GLU A 51 -2.368 -8.698 1.101 1.00 0.00 C ATOM 844 CD GLU A 51 -3.633 -7.887 1.260 1.00 0.00 C ATOM 845 OE1 GLU A 51 -3.699 -7.053 2.188 1.00 0.00 O ATOM 846 OE2 GLU A 51 -4.575 -8.081 0.468 1.00 0.00 O ATOM 0 H GLU A 51 0.046 -8.809 2.333 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.000 -11.371 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.106 -10.460 2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.299 -9.344 3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.505 -8.037 1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.347 -9.142 0.106 1.00 0.00 H new ATOM 853 N PHE A 52 -0.366 -10.678 -0.319 1.00 0.00 N ATOM 854 CA PHE A 52 -0.180 -11.305 -1.624 1.00 0.00 C ATOM 855 C PHE A 52 0.902 -12.375 -1.553 1.00 0.00 C ATOM 856 O PHE A 52 0.838 -13.384 -2.253 1.00 0.00 O ATOM 857 CB PHE A 52 0.178 -10.265 -2.688 1.00 0.00 C ATOM 858 CG PHE A 52 -0.914 -9.266 -2.943 1.00 0.00 C ATOM 859 CD1 PHE A 52 -2.245 -9.615 -2.769 1.00 0.00 C ATOM 860 CD2 PHE A 52 -0.611 -7.980 -3.358 1.00 0.00 C ATOM 861 CE1 PHE A 52 -3.251 -8.701 -3.003 1.00 0.00 C ATOM 862 CE2 PHE A 52 -1.614 -7.061 -3.594 1.00 0.00 C ATOM 863 CZ PHE A 52 -2.935 -7.422 -3.416 1.00 0.00 C ATOM 0 H PHE A 52 -0.070 -9.703 -0.270 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.122 -11.774 -1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.079 -9.735 -2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.415 -10.778 -3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.497 -10.614 -2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.421 -7.693 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.284 -8.985 -2.863 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.366 -6.061 -3.917 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.721 -6.704 -3.600 1.00 0.00 H new ATOM 873 N GLY A 53 1.891 -12.149 -0.699 1.00 0.00 N ATOM 874 CA GLY A 53 2.938 -13.128 -0.493 1.00 0.00 C ATOM 875 C GLY A 53 2.419 -14.378 0.198 1.00 0.00 C ATOM 876 O GLY A 53 2.824 -15.492 -0.127 1.00 0.00 O ATOM 0 H GLY A 53 1.986 -11.300 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.375 -13.400 -1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.735 -12.687 0.106 1.00 0.00 H new ATOM 880 N GLN A 54 1.506 -14.186 1.140 1.00 0.00 N ATOM 881 CA GLN A 54 0.956 -15.290 1.921 1.00 0.00 C ATOM 882 C GLN A 54 -0.009 -16.136 1.096 1.00 0.00 C ATOM 883 O GLN A 54 -0.051 -17.356 1.242 1.00 0.00 O ATOM 884 CB GLN A 54 0.242 -14.754 3.164 1.00 0.00 C ATOM 885 CG GLN A 54 1.155 -13.997 4.115 1.00 0.00 C ATOM 886 CD GLN A 54 0.406 -13.330 5.255 1.00 0.00 C ATOM 887 OE1 GLN A 54 -0.842 -12.960 5.015 1.00 0.00 O flip ATOM 888 NE2 GLN A 54 0.945 -13.153 6.349 1.00 0.00 N flip ATOM 0 H GLN A 54 1.127 -13.271 1.384 1.00 0.00 H new ATOM 0 HA GLN A 54 1.788 -15.926 2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.568 -14.095 2.851 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.213 -15.588 3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.893 -14.686 4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.704 -13.239 3.556 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.909 -13.452 6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.427 -12.708 7.107 1.00 0.00 H new ATOM 897 N LEU A 55 -0.777 -15.492 0.223 1.00 0.00 N ATOM 898 CA LEU A 55 -1.783 -16.208 -0.557 1.00 0.00 C ATOM 899 C LEU A 55 -1.188 -16.822 -1.824 1.00 0.00 C ATOM 900 O LEU A 55 -1.873 -17.539 -2.555 1.00 0.00 O ATOM 901 CB LEU A 55 -2.975 -15.292 -0.896 1.00 0.00 C ATOM 902 CG LEU A 55 -2.655 -13.982 -1.638 1.00 0.00 C ATOM 903 CD1 LEU A 55 -2.421 -14.218 -3.124 1.00 0.00 C ATOM 904 CD2 LEU A 55 -3.777 -12.974 -1.434 1.00 0.00 C ATOM 0 H LEU A 55 -0.725 -14.490 0.039 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.149 -17.028 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.680 -15.862 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.485 -15.040 0.034 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.732 -13.581 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.198 -13.269 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.581 -14.900 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.316 -14.653 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.538 -12.052 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.710 -13.384 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.888 -12.763 -0.370 1.00 0.00 H new ATOM 916 N GLU A 56 0.084 -16.551 -2.082 1.00 0.00 N ATOM 917 CA GLU A 56 0.724 -17.056 -3.285 1.00 0.00 C ATOM 918 C GLU A 56 2.084 -17.673 -2.967 1.00 0.00 C ATOM 919 O GLU A 56 3.054 -16.968 -2.692 1.00 0.00 O ATOM 920 CB GLU A 56 0.877 -15.939 -4.318 1.00 0.00 C ATOM 921 CG GLU A 56 0.397 -16.323 -5.710 1.00 0.00 C ATOM 922 CD GLU A 56 1.052 -17.586 -6.225 1.00 0.00 C ATOM 923 OE1 GLU A 56 2.247 -17.530 -6.587 1.00 0.00 O ATOM 924 OE2 GLU A 56 0.378 -18.642 -6.248 1.00 0.00 O ATOM 0 H GLU A 56 0.687 -15.990 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 56 0.087 -17.836 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.321 -15.065 -3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.926 -15.648 -4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.684 -16.460 -5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.603 -15.504 -6.400 1.00 0.00 H new ATOM 931 N HIS A 57 2.140 -18.998 -3.000 1.00 0.00 N ATOM 932 CA HIS A 57 3.385 -19.727 -2.774 1.00 0.00 C ATOM 933 C HIS A 57 3.842 -20.384 -4.071 1.00 0.00 C ATOM 934 O HIS A 57 4.436 -21.463 -4.063 1.00 0.00 O ATOM 935 CB HIS A 57 3.207 -20.783 -1.677 1.00 0.00 C ATOM 936 CG HIS A 57 3.191 -20.216 -0.289 1.00 0.00 C ATOM 937 ND1 HIS A 57 4.156 -20.499 0.655 1.00 0.00 N ATOM 938 CD2 HIS A 57 2.316 -19.377 0.316 1.00 0.00 C ATOM 939 CE1 HIS A 57 3.874 -19.859 1.774 1.00 0.00 C ATOM 940 NE2 HIS A 57 2.763 -19.171 1.595 1.00 0.00 N ATOM 0 H HIS A 57 1.333 -19.595 -3.182 1.00 0.00 H new ATOM 0 HA HIS A 57 4.146 -19.020 -2.444 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.275 -21.321 -1.851 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.014 -21.512 -1.753 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.429 -18.949 -0.128 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.455 -19.893 2.684 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.311 -18.582 2.294 1.00 0.00 H new ATOM 949 N HIS A 58 3.549 -19.705 -5.176 1.00 0.00 N ATOM 950 CA HIS A 58 3.905 -20.150 -6.522 1.00 0.00 C ATOM 951 C HIS A 58 3.063 -21.346 -6.954 1.00 0.00 C ATOM 952 O HIS A 58 2.196 -21.216 -7.814 1.00 0.00 O ATOM 953 CB HIS A 58 5.402 -20.459 -6.641 1.00 0.00 C ATOM 954 CG HIS A 58 5.832 -20.798 -8.038 1.00 0.00 C ATOM 955 ND1 HIS A 58 5.783 -19.896 -9.077 1.00 0.00 N ATOM 956 CD2 HIS A 58 6.305 -21.952 -8.570 1.00 0.00 C ATOM 957 CE1 HIS A 58 6.209 -20.479 -10.184 1.00 0.00 C ATOM 958 NE2 HIS A 58 6.530 -21.726 -9.905 1.00 0.00 N ATOM 0 H HIS A 58 3.050 -18.816 -5.163 1.00 0.00 H new ATOM 0 HA HIS A 58 3.686 -19.325 -7.200 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.972 -19.598 -6.292 1.00 0.00 H new ATOM 0 HB3 HIS A 58 5.647 -21.291 -5.981 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.474 -22.878 -8.041 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.282 -20.011 -11.155 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.887 -22.411 -10.571 1.00 0.00 H new ATOM 967 N HIS A 59 3.310 -22.509 -6.364 1.00 0.00 N ATOM 968 CA HIS A 59 2.554 -23.698 -6.731 1.00 0.00 C ATOM 969 C HIS A 59 1.208 -23.722 -5.997 1.00 0.00 C ATOM 970 O HIS A 59 1.065 -24.291 -4.915 1.00 0.00 O ATOM 971 CB HIS A 59 3.370 -24.993 -6.499 1.00 0.00 C ATOM 972 CG HIS A 59 3.601 -25.379 -5.064 1.00 0.00 C ATOM 973 ND1 HIS A 59 3.268 -26.622 -4.564 1.00 0.00 N ATOM 974 CD2 HIS A 59 4.135 -24.693 -4.026 1.00 0.00 C ATOM 975 CE1 HIS A 59 3.584 -26.679 -3.284 1.00 0.00 C ATOM 976 NE2 HIS A 59 4.111 -25.523 -2.935 1.00 0.00 N ATOM 0 H HIS A 59 4.016 -22.653 -5.642 1.00 0.00 H new ATOM 0 HA HIS A 59 2.349 -23.655 -7.801 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.858 -25.816 -6.998 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.339 -24.880 -6.985 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.510 -23.681 -4.052 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.436 -27.528 -2.634 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.447 -25.284 -2.002 1.00 0.00 H new ATOM 985 N HIS A 60 0.223 -23.068 -6.589 1.00 0.00 N ATOM 986 CA HIS A 60 -1.104 -22.973 -5.992 1.00 0.00 C ATOM 987 C HIS A 60 -1.953 -24.187 -6.349 1.00 0.00 C ATOM 988 O HIS A 60 -2.982 -24.076 -7.011 1.00 0.00 O ATOM 989 CB HIS A 60 -1.803 -21.662 -6.392 1.00 0.00 C ATOM 990 CG HIS A 60 -1.575 -21.238 -7.813 1.00 0.00 C ATOM 991 ND1 HIS A 60 -0.692 -20.237 -8.163 1.00 0.00 N ATOM 992 CD2 HIS A 60 -2.126 -21.673 -8.970 1.00 0.00 C ATOM 993 CE1 HIS A 60 -0.709 -20.078 -9.472 1.00 0.00 C ATOM 994 NE2 HIS A 60 -1.571 -20.935 -9.985 1.00 0.00 N ATOM 0 H HIS A 60 0.315 -22.592 -7.486 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.982 -22.961 -4.909 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.875 -21.773 -6.228 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.460 -20.867 -5.730 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -0.116 -19.704 -7.511 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.864 -22.454 -9.075 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.118 -19.367 -10.030 1.00 0.00 H new ATOM 1003 N HIS A 61 -1.485 -25.347 -5.902 1.00 0.00 N ATOM 1004 CA HIS A 61 -2.181 -26.615 -6.082 1.00 0.00 C ATOM 1005 C HIS A 61 -1.359 -27.711 -5.419 1.00 0.00 C ATOM 1006 O HIS A 61 -0.274 -27.438 -4.895 1.00 0.00 O ATOM 1007 CB HIS A 61 -2.406 -26.938 -7.574 1.00 0.00 C ATOM 1008 CG HIS A 61 -1.175 -27.379 -8.315 1.00 0.00 C ATOM 1009 ND1 HIS A 61 -1.036 -28.642 -8.848 1.00 0.00 N ATOM 1010 CD2 HIS A 61 -0.030 -26.721 -8.616 1.00 0.00 C ATOM 1011 CE1 HIS A 61 0.138 -28.743 -9.436 1.00 0.00 C ATOM 1012 NE2 HIS A 61 0.769 -27.594 -9.312 1.00 0.00 N ATOM 0 H HIS A 61 -0.602 -25.434 -5.399 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.166 -26.548 -5.621 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.160 -27.721 -7.652 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.812 -26.054 -8.066 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.210 -25.700 -8.357 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.519 -29.621 -9.936 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.700 -27.386 -9.674 1.00 0.00 H new ATOM 1021 N HIS A 62 -1.856 -28.936 -5.429 1.00 0.00 N ATOM 1022 CA HIS A 62 -1.100 -30.050 -4.877 1.00 0.00 C ATOM 1023 C HIS A 62 -0.922 -31.138 -5.933 1.00 0.00 C ATOM 1024 O HIS A 62 -1.918 -31.791 -6.307 1.00 0.00 O ATOM 1025 CB HIS A 62 -1.742 -30.594 -3.581 1.00 0.00 C ATOM 1026 CG HIS A 62 -3.088 -31.248 -3.737 1.00 0.00 C ATOM 1027 ND1 HIS A 62 -3.278 -32.602 -3.572 1.00 0.00 N ATOM 1028 CD2 HIS A 62 -4.311 -30.732 -4.016 1.00 0.00 C ATOM 1029 CE1 HIS A 62 -4.553 -32.891 -3.744 1.00 0.00 C ATOM 1030 NE2 HIS A 62 -5.200 -31.777 -4.013 1.00 0.00 N ATOM 1031 OXT HIS A 62 0.215 -31.310 -6.416 1.00 0.00 O ATOM 0 H HIS A 62 -2.770 -29.184 -5.809 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.111 -29.688 -4.596 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.058 -31.317 -3.136 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.840 -29.770 -2.874 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.542 -29.694 -4.205 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.992 -33.875 -3.676 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.202 -31.702 -4.191 1.00 0.00 H new TER 1040 HIS A 62