USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=10 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 Set 1.1: A 2 ASN : amide:sc= 0.697 K(o=1.5,f=-2.8) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -178:sc= 0.837! (180deg=0.00722!) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.12 (180deg=-0.644) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.00219 (180deg=-0.137) USER MOD Single : A 6 THR OG1 : rot -88:sc= 0.0518 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 74:sc= 0.324 USER MOD Single : A 12 LYS NZ :NH3+ 156:sc= 1.23 (180deg=1.13) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 1.22 K(o=1.2,f=-0.0055) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0308 USER MOD Single : A 23 GLN : amide:sc= -0.0245 X(o=-0.024,f=-0.11) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 34 GLN : amide:sc= -0.802 K(o=-0.8,f=0) USER MOD Single : A 37 GLN : amide:sc=-0.00376 K(o=-0.0038,f=-0.84) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 47 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.31) USER MOD Single : A 54 GLN : amide:sc= -1.96! C(o=-2!,f=-7!) USER MOD Single : A 57 HIS : no HD1:sc= -0.567 X(o=-0.57,f=-0.67) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0695 X(o=-0.07,f=0) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HE2:sc= -0.302 K(o=-0.3,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.087 11.357 -4.529 1.00 0.00 N ATOM 2 CA MET A 1 -9.576 10.108 -5.142 1.00 0.00 C ATOM 3 C MET A 1 -8.070 10.016 -4.945 1.00 0.00 C ATOM 4 O MET A 1 -7.364 11.018 -5.081 1.00 0.00 O ATOM 5 CB MET A 1 -9.922 10.056 -6.632 1.00 0.00 C ATOM 6 CG MET A 1 -11.416 10.005 -6.906 1.00 0.00 C ATOM 7 SD MET A 1 -11.803 9.915 -8.666 1.00 0.00 S ATOM 8 CE MET A 1 -11.092 11.452 -9.256 1.00 0.00 C ATOM 0 H1 MET A 1 -10.843 11.128 -3.852 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.313 11.842 -4.032 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.465 11.979 -5.272 1.00 0.00 H new ATOM 0 HA MET A 1 -10.052 9.258 -4.653 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.500 10.931 -7.126 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.449 9.180 -7.076 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.844 9.140 -6.400 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.889 10.890 -6.480 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.500 11.688 -10.239 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.333 12.255 -8.560 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.009 11.348 -9.328 1.00 0.00 H new ATOM 20 N ASN A 2 -7.596 8.806 -4.631 1.00 0.00 N ATOM 21 CA ASN A 2 -6.206 8.569 -4.216 1.00 0.00 C ATOM 22 C ASN A 2 -5.967 9.154 -2.830 1.00 0.00 C ATOM 23 O ASN A 2 -6.451 10.237 -2.505 1.00 0.00 O ATOM 24 CB ASN A 2 -5.180 9.145 -5.209 1.00 0.00 C ATOM 25 CG ASN A 2 -5.098 8.357 -6.499 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.345 7.381 -6.599 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.840 8.790 -7.507 1.00 0.00 N ATOM 0 H ASN A 2 -8.165 7.960 -4.657 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.062 7.489 -4.196 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.443 10.178 -5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.197 9.163 -4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.803 8.314 -8.408 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.448 9.599 -7.382 1.00 0.00 H new ATOM 34 N LEU A 3 -5.248 8.425 -2.005 1.00 0.00 N ATOM 35 CA LEU A 3 -4.954 8.890 -0.664 1.00 0.00 C ATOM 36 C LEU A 3 -3.582 9.545 -0.620 1.00 0.00 C ATOM 37 O LEU A 3 -2.878 9.599 -1.626 1.00 0.00 O ATOM 38 CB LEU A 3 -5.025 7.736 0.334 1.00 0.00 C ATOM 39 CG LEU A 3 -6.394 7.060 0.449 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.375 6.000 1.536 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.478 8.086 0.732 1.00 0.00 C ATOM 0 H LEU A 3 -4.857 7.512 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.703 9.631 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.289 6.984 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.737 8.108 1.317 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.616 6.578 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.356 5.530 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.627 5.245 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.128 6.463 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.443 7.584 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.259 8.598 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.512 8.813 -0.079 1.00 0.00 H new ATOM 53 N ARG A 4 -3.218 10.049 0.544 1.00 0.00 N ATOM 54 CA ARG A 4 -1.925 10.678 0.737 1.00 0.00 C ATOM 55 C ARG A 4 -0.861 9.632 1.005 1.00 0.00 C ATOM 56 O ARG A 4 -0.905 8.920 2.006 1.00 0.00 O ATOM 57 CB ARG A 4 -1.982 11.673 1.892 1.00 0.00 C ATOM 58 CG ARG A 4 -2.605 13.003 1.520 1.00 0.00 C ATOM 59 CD ARG A 4 -2.723 13.902 2.733 1.00 0.00 C ATOM 60 NE ARG A 4 -2.567 15.312 2.389 1.00 0.00 N ATOM 61 CZ ARG A 4 -2.799 16.312 3.232 1.00 0.00 C ATOM 62 NH1 ARG A 4 -3.346 16.075 4.418 1.00 0.00 N ATOM 63 NH2 ARG A 4 -2.511 17.556 2.871 1.00 0.00 N ATOM 0 H ARG A 4 -3.806 10.034 1.377 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.667 11.215 -0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.550 11.233 2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.971 11.846 2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.999 13.492 0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.592 12.839 1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.694 13.749 3.204 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.966 13.622 3.466 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.261 15.543 1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.590 15.122 4.686 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.522 16.846 5.062 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.113 17.741 1.950 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.687 18.328 3.515 1.00 0.00 H new ATOM 77 N TRP A 5 0.088 9.540 0.099 1.00 0.00 N ATOM 78 CA TRP A 5 1.177 8.598 0.235 1.00 0.00 C ATOM 79 C TRP A 5 2.399 9.297 0.799 1.00 0.00 C ATOM 80 O TRP A 5 2.803 10.351 0.307 1.00 0.00 O ATOM 81 CB TRP A 5 1.509 7.965 -1.116 1.00 0.00 C ATOM 82 CG TRP A 5 0.424 7.076 -1.642 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.813 7.454 -2.081 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.485 5.656 -1.793 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.529 6.355 -2.483 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.751 5.238 -2.321 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.464 4.697 -1.530 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -1.029 3.905 -2.595 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.187 3.373 -1.800 1.00 0.00 C ATOM 90 CH2 TRP A 5 -0.052 2.988 -2.330 1.00 0.00 C ATOM 0 H TRP A 5 0.127 10.111 -0.746 1.00 0.00 H new ATOM 0 HA TRP A 5 0.871 7.808 0.921 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.703 8.756 -1.841 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.428 7.386 -1.021 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.175 8.471 -2.108 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.483 6.367 -2.843 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.421 4.986 -1.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.983 3.605 -3.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 1.936 2.621 -1.600 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.238 1.944 -2.533 1.00 0.00 H new ATOM 101 N THR A 6 2.972 8.721 1.837 1.00 0.00 N ATOM 102 CA THR A 6 4.172 9.271 2.435 1.00 0.00 C ATOM 103 C THR A 6 5.376 8.954 1.556 1.00 0.00 C ATOM 104 O THR A 6 5.284 8.101 0.671 1.00 0.00 O ATOM 105 CB THR A 6 4.389 8.716 3.854 1.00 0.00 C ATOM 106 OG1 THR A 6 4.430 7.284 3.826 1.00 0.00 O ATOM 107 CG2 THR A 6 3.275 9.174 4.783 1.00 0.00 C ATOM 0 H THR A 6 2.626 7.872 2.284 1.00 0.00 H new ATOM 0 HA THR A 6 4.055 10.352 2.512 1.00 0.00 H new ATOM 0 HB THR A 6 5.340 9.096 4.226 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.522 6.929 3.925 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.446 8.772 5.782 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.263 10.263 4.828 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.317 8.816 4.406 1.00 0.00 H new ATOM 115 N SER A 7 6.493 9.628 1.790 1.00 0.00 N ATOM 116 CA SER A 7 7.684 9.436 0.973 1.00 0.00 C ATOM 117 C SER A 7 8.137 7.975 1.004 1.00 0.00 C ATOM 118 O SER A 7 8.506 7.403 -0.028 1.00 0.00 O ATOM 119 CB SER A 7 8.802 10.359 1.458 1.00 0.00 C ATOM 120 OG SER A 7 8.374 11.714 1.453 1.00 0.00 O ATOM 0 H SER A 7 6.600 10.313 2.539 1.00 0.00 H new ATOM 0 HA SER A 7 7.443 9.688 -0.060 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.106 10.072 2.465 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.677 10.247 0.817 1.00 0.00 H new ATOM 0 HG SER A 7 9.103 12.288 1.768 1.00 0.00 H new ATOM 126 N GLU A 8 8.075 7.375 2.184 1.00 0.00 N ATOM 127 CA GLU A 8 8.449 5.979 2.358 1.00 0.00 C ATOM 128 C GLU A 8 7.423 5.057 1.704 1.00 0.00 C ATOM 129 O GLU A 8 7.783 4.033 1.124 1.00 0.00 O ATOM 130 CB GLU A 8 8.579 5.652 3.845 1.00 0.00 C ATOM 131 CG GLU A 8 9.712 6.395 4.530 1.00 0.00 C ATOM 132 CD GLU A 8 11.077 5.923 4.072 1.00 0.00 C ATOM 133 OE1 GLU A 8 11.506 6.299 2.960 1.00 0.00 O ATOM 134 OE2 GLU A 8 11.731 5.183 4.830 1.00 0.00 O ATOM 0 H GLU A 8 7.767 7.837 3.040 1.00 0.00 H new ATOM 0 HA GLU A 8 9.412 5.818 1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.641 5.893 4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.735 4.580 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.615 7.462 4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.629 6.263 5.609 1.00 0.00 H new ATOM 141 N ALA A 9 6.147 5.425 1.796 1.00 0.00 N ATOM 142 CA ALA A 9 5.077 4.640 1.190 1.00 0.00 C ATOM 143 C ALA A 9 5.221 4.605 -0.324 1.00 0.00 C ATOM 144 O ALA A 9 5.050 3.559 -0.947 1.00 0.00 O ATOM 145 CB ALA A 9 3.715 5.195 1.579 1.00 0.00 C ATOM 0 H ALA A 9 5.830 6.262 2.285 1.00 0.00 H new ATOM 0 HA ALA A 9 5.155 3.620 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.932 4.595 1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.605 5.162 2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.631 6.227 1.237 1.00 0.00 H new ATOM 151 N LYS A 10 5.548 5.756 -0.906 1.00 0.00 N ATOM 152 CA LYS A 10 5.785 5.851 -2.343 1.00 0.00 C ATOM 153 C LYS A 10 6.890 4.885 -2.764 1.00 0.00 C ATOM 154 O LYS A 10 6.761 4.165 -3.755 1.00 0.00 O ATOM 155 CB LYS A 10 6.171 7.286 -2.727 1.00 0.00 C ATOM 156 CG LYS A 10 5.089 8.320 -2.438 1.00 0.00 C ATOM 157 CD LYS A 10 5.612 9.736 -2.633 1.00 0.00 C ATOM 158 CE LYS A 10 4.579 10.788 -2.245 1.00 0.00 C ATOM 159 NZ LYS A 10 3.418 10.824 -3.176 1.00 0.00 N ATOM 0 H LYS A 10 5.655 6.637 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 10 4.865 5.582 -2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.077 7.564 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.411 7.314 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.236 8.151 -3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.732 8.200 -1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.512 9.875 -2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.897 9.876 -3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.223 10.586 -1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.055 11.769 -2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.747 11.556 -2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.750 11.043 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.944 9.898 -3.176 1.00 0.00 H new ATOM 173 N THR A 11 7.971 4.866 -1.991 1.00 0.00 N ATOM 174 CA THR A 11 9.087 3.970 -2.251 1.00 0.00 C ATOM 175 C THR A 11 8.669 2.504 -2.089 1.00 0.00 C ATOM 176 O THR A 11 9.026 1.651 -2.905 1.00 0.00 O ATOM 177 CB THR A 11 10.262 4.284 -1.307 1.00 0.00 C ATOM 178 OG1 THR A 11 10.618 5.667 -1.422 1.00 0.00 O ATOM 179 CG2 THR A 11 11.471 3.420 -1.630 1.00 0.00 C ATOM 0 H THR A 11 8.096 5.466 -1.175 1.00 0.00 H new ATOM 0 HA THR A 11 9.405 4.127 -3.282 1.00 0.00 H new ATOM 0 HB THR A 11 9.946 4.066 -0.287 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.940 6.217 -0.977 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.285 3.664 -0.947 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.207 2.368 -1.519 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.789 3.608 -2.656 1.00 0.00 H new ATOM 187 N LYS A 12 7.906 2.217 -1.040 1.00 0.00 N ATOM 188 CA LYS A 12 7.424 0.867 -0.784 1.00 0.00 C ATOM 189 C LYS A 12 6.545 0.365 -1.930 1.00 0.00 C ATOM 190 O LYS A 12 6.665 -0.783 -2.351 1.00 0.00 O ATOM 191 CB LYS A 12 6.649 0.815 0.533 1.00 0.00 C ATOM 192 CG LYS A 12 7.526 0.880 1.773 1.00 0.00 C ATOM 193 CD LYS A 12 8.288 -0.416 1.989 1.00 0.00 C ATOM 194 CE LYS A 12 9.145 -0.350 3.242 1.00 0.00 C ATOM 195 NZ LYS A 12 9.815 -1.643 3.534 1.00 0.00 N ATOM 0 H LYS A 12 7.607 2.907 -0.350 1.00 0.00 H new ATOM 0 HA LYS A 12 8.293 0.213 -0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.941 1.643 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.065 -0.105 0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.231 1.706 1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.908 1.089 2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.585 -1.245 2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.920 -0.618 1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.898 0.429 3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.523 -0.066 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.665 -1.472 4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.163 -2.262 4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.087 -2.102 2.641 1.00 0.00 H new ATOM 209 N LEU A 13 5.676 1.236 -2.442 1.00 0.00 N ATOM 210 CA LEU A 13 4.796 0.870 -3.549 1.00 0.00 C ATOM 211 C LEU A 13 5.618 0.496 -4.782 1.00 0.00 C ATOM 212 O LEU A 13 5.287 -0.445 -5.499 1.00 0.00 O ATOM 213 CB LEU A 13 3.836 2.021 -3.888 1.00 0.00 C ATOM 214 CG LEU A 13 2.801 1.708 -4.978 1.00 0.00 C ATOM 215 CD1 LEU A 13 1.915 0.545 -4.555 1.00 0.00 C ATOM 216 CD2 LEU A 13 1.955 2.937 -5.292 1.00 0.00 C ATOM 0 H LEU A 13 5.563 2.194 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 13 4.206 0.007 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.308 2.312 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.424 2.883 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 13 3.337 1.423 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.188 0.338 -5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.530 -0.339 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.392 0.802 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.229 2.691 -6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.430 3.257 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.600 3.743 -5.642 1.00 0.00 H new ATOM 228 N LYS A 14 6.709 1.222 -5.001 1.00 0.00 N ATOM 229 CA LYS A 14 7.582 0.975 -6.147 1.00 0.00 C ATOM 230 C LYS A 14 8.416 -0.294 -5.961 1.00 0.00 C ATOM 231 O LYS A 14 9.098 -0.739 -6.885 1.00 0.00 O ATOM 232 CB LYS A 14 8.502 2.174 -6.382 1.00 0.00 C ATOM 233 CG LYS A 14 7.760 3.438 -6.783 1.00 0.00 C ATOM 234 CD LYS A 14 8.704 4.620 -6.912 1.00 0.00 C ATOM 235 CE LYS A 14 7.958 5.884 -7.301 1.00 0.00 C ATOM 236 NZ LYS A 14 8.861 7.061 -7.362 1.00 0.00 N ATOM 0 H LYS A 14 7.012 1.988 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 14 6.945 0.832 -7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.071 2.369 -5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.222 1.922 -7.161 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.248 3.275 -7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.994 3.662 -6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.223 4.778 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.465 4.400 -7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.482 5.741 -8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.163 6.073 -6.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.315 7.904 -7.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.296 7.213 -6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.605 6.891 -8.068 1.00 0.00 H new ATOM 250 N ASN A 15 8.365 -0.871 -4.766 1.00 0.00 N ATOM 251 CA ASN A 15 9.072 -2.117 -4.488 1.00 0.00 C ATOM 252 C ASN A 15 8.180 -3.315 -4.786 1.00 0.00 C ATOM 253 O ASN A 15 8.638 -4.459 -4.816 1.00 0.00 O ATOM 254 CB ASN A 15 9.541 -2.159 -3.033 1.00 0.00 C ATOM 255 CG ASN A 15 10.932 -1.583 -2.851 1.00 0.00 C ATOM 256 OD1 ASN A 15 11.923 -2.311 -2.871 1.00 0.00 O ATOM 257 ND2 ASN A 15 11.023 -0.272 -2.683 1.00 0.00 N ATOM 0 H ASN A 15 7.842 -0.497 -3.974 1.00 0.00 H new ATOM 0 HA ASN A 15 9.947 -2.163 -5.136 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.838 -1.603 -2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.530 -3.191 -2.681 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.937 0.165 -2.565 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.179 0.301 -2.672 1.00 0.00 H new ATOM 264 N ILE A 16 6.906 -3.043 -5.009 1.00 0.00 N ATOM 265 CA ILE A 16 5.951 -4.083 -5.349 1.00 0.00 C ATOM 266 C ILE A 16 6.008 -4.368 -6.850 1.00 0.00 C ATOM 267 O ILE A 16 6.037 -3.437 -7.658 1.00 0.00 O ATOM 268 CB ILE A 16 4.518 -3.673 -4.936 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.487 -3.330 -3.444 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.522 -4.782 -5.248 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.149 -2.819 -2.956 1.00 0.00 C ATOM 0 H ILE A 16 6.507 -2.105 -4.960 1.00 0.00 H new ATOM 0 HA ILE A 16 6.215 -4.988 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 16 4.229 -2.793 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.755 -4.218 -2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.248 -2.577 -3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.522 -4.468 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.531 -4.989 -6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.799 -5.684 -4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.210 -2.599 -1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.886 -1.911 -3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.385 -3.578 -3.127 1.00 0.00 H new ATOM 283 N PRO A 17 6.073 -5.656 -7.240 1.00 0.00 N ATOM 284 CA PRO A 17 6.117 -6.057 -8.652 1.00 0.00 C ATOM 285 C PRO A 17 4.983 -5.433 -9.461 1.00 0.00 C ATOM 286 O PRO A 17 3.837 -5.427 -9.022 1.00 0.00 O ATOM 287 CB PRO A 17 5.962 -7.576 -8.600 1.00 0.00 C ATOM 288 CG PRO A 17 6.463 -7.962 -7.254 1.00 0.00 C ATOM 289 CD PRO A 17 6.112 -6.823 -6.338 1.00 0.00 C ATOM 0 HA PRO A 17 7.035 -5.729 -9.141 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.922 -7.873 -8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.537 -8.060 -9.390 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.001 -8.890 -6.917 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.540 -8.130 -7.272 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.152 -6.984 -5.847 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.855 -6.697 -5.551 1.00 0.00 H new ATOM 297 N PHE A 18 5.318 -4.929 -10.647 1.00 0.00 N ATOM 298 CA PHE A 18 4.370 -4.206 -11.500 1.00 0.00 C ATOM 299 C PHE A 18 3.069 -4.979 -11.690 1.00 0.00 C ATOM 300 O PHE A 18 1.984 -4.398 -11.664 1.00 0.00 O ATOM 301 CB PHE A 18 5.005 -3.924 -12.865 1.00 0.00 C ATOM 302 CG PHE A 18 4.067 -3.278 -13.849 1.00 0.00 C ATOM 303 CD1 PHE A 18 3.771 -1.928 -13.760 1.00 0.00 C ATOM 304 CD2 PHE A 18 3.479 -4.024 -14.857 1.00 0.00 C ATOM 305 CE1 PHE A 18 2.907 -1.333 -14.661 1.00 0.00 C ATOM 306 CE2 PHE A 18 2.613 -3.437 -15.759 1.00 0.00 C ATOM 307 CZ PHE A 18 2.325 -2.089 -15.660 1.00 0.00 C ATOM 0 H PHE A 18 6.253 -5.009 -11.046 1.00 0.00 H new ATOM 0 HA PHE A 18 4.130 -3.267 -11.001 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.872 -3.278 -12.726 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.370 -4.861 -13.286 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.220 -1.333 -12.978 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.700 -5.078 -14.939 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.687 -0.278 -14.584 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.162 -4.031 -16.540 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.646 -1.628 -16.362 1.00 0.00 H new ATOM 317 N PHE A 19 3.186 -6.291 -11.843 1.00 0.00 N ATOM 318 CA PHE A 19 2.036 -7.148 -12.114 1.00 0.00 C ATOM 319 C PHE A 19 1.011 -7.096 -10.980 1.00 0.00 C ATOM 320 O PHE A 19 -0.173 -7.352 -11.192 1.00 0.00 O ATOM 321 CB PHE A 19 2.499 -8.590 -12.328 1.00 0.00 C ATOM 322 CG PHE A 19 3.541 -8.735 -13.401 1.00 0.00 C ATOM 323 CD1 PHE A 19 3.182 -8.761 -14.738 1.00 0.00 C ATOM 324 CD2 PHE A 19 4.883 -8.843 -13.070 1.00 0.00 C ATOM 325 CE1 PHE A 19 4.140 -8.890 -15.725 1.00 0.00 C ATOM 326 CE2 PHE A 19 5.846 -8.973 -14.052 1.00 0.00 C ATOM 327 CZ PHE A 19 5.475 -8.998 -15.382 1.00 0.00 C ATOM 0 H PHE A 19 4.074 -6.790 -11.784 1.00 0.00 H new ATOM 0 HA PHE A 19 1.553 -6.778 -13.019 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.899 -8.977 -11.391 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.637 -9.205 -12.585 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.141 -8.679 -15.013 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.179 -8.825 -12.032 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.846 -8.906 -16.764 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.888 -9.055 -13.780 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.225 -9.102 -16.152 1.00 0.00 H new ATOM 337 N ALA A 20 1.465 -6.752 -9.779 1.00 0.00 N ATOM 338 CA ALA A 20 0.590 -6.732 -8.615 1.00 0.00 C ATOM 339 C ALA A 20 0.614 -5.375 -7.916 1.00 0.00 C ATOM 340 O ALA A 20 -0.053 -5.185 -6.904 1.00 0.00 O ATOM 341 CB ALA A 20 0.999 -7.832 -7.643 1.00 0.00 C ATOM 0 H ALA A 20 2.431 -6.484 -9.588 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.430 -6.909 -8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.341 -7.813 -6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.920 -8.801 -8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.028 -7.670 -7.323 1.00 0.00 H new ATOM 347 N ARG A 21 1.362 -4.430 -8.469 1.00 0.00 N ATOM 348 CA ARG A 21 1.545 -3.132 -7.829 1.00 0.00 C ATOM 349 C ARG A 21 0.249 -2.327 -7.833 1.00 0.00 C ATOM 350 O ARG A 21 -0.131 -1.746 -6.816 1.00 0.00 O ATOM 351 CB ARG A 21 2.669 -2.351 -8.512 1.00 0.00 C ATOM 352 CG ARG A 21 2.941 -0.998 -7.869 1.00 0.00 C ATOM 353 CD ARG A 21 4.211 -0.352 -8.407 1.00 0.00 C ATOM 354 NE ARG A 21 4.195 -0.205 -9.861 1.00 0.00 N ATOM 355 CZ ARG A 21 3.528 0.745 -10.512 1.00 0.00 C ATOM 356 NH1 ARG A 21 2.789 1.621 -9.841 1.00 0.00 N ATOM 357 NH2 ARG A 21 3.610 0.820 -11.831 1.00 0.00 N ATOM 0 H ARG A 21 1.852 -4.536 -9.358 1.00 0.00 H new ATOM 0 HA ARG A 21 1.826 -3.306 -6.790 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.582 -2.946 -8.488 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.413 -2.202 -9.561 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.094 -0.335 -8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.027 -1.121 -6.789 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.338 0.628 -7.948 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.072 -0.954 -8.116 1.00 0.00 H new ATOM 0 HE ARG A 21 4.730 -0.875 -10.413 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.732 1.567 -8.824 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.279 2.348 -10.343 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.183 0.151 -12.345 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.100 1.547 -12.333 1.00 0.00 H new ATOM 371 N SER A 22 -0.427 -2.302 -8.971 1.00 0.00 N ATOM 372 CA SER A 22 -1.702 -1.610 -9.091 1.00 0.00 C ATOM 373 C SER A 22 -2.731 -2.237 -8.153 1.00 0.00 C ATOM 374 O SER A 22 -3.519 -1.540 -7.508 1.00 0.00 O ATOM 375 CB SER A 22 -2.187 -1.692 -10.535 1.00 0.00 C ATOM 376 OG SER A 22 -1.091 -1.595 -11.431 1.00 0.00 O ATOM 0 H SER A 22 -0.112 -2.755 -9.829 1.00 0.00 H new ATOM 0 HA SER A 22 -1.573 -0.564 -8.813 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.714 -2.633 -10.695 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.898 -0.890 -10.732 1.00 0.00 H new ATOM 0 HG SER A 22 -1.417 -1.651 -12.354 1.00 0.00 H new ATOM 382 N GLN A 23 -2.688 -3.561 -8.068 1.00 0.00 N ATOM 383 CA GLN A 23 -3.607 -4.317 -7.231 1.00 0.00 C ATOM 384 C GLN A 23 -3.335 -4.028 -5.756 1.00 0.00 C ATOM 385 O GLN A 23 -4.254 -3.764 -4.974 1.00 0.00 O ATOM 386 CB GLN A 23 -3.441 -5.814 -7.514 1.00 0.00 C ATOM 387 CG GLN A 23 -4.589 -6.677 -7.013 1.00 0.00 C ATOM 388 CD GLN A 23 -5.854 -6.495 -7.828 1.00 0.00 C ATOM 389 OE1 GLN A 23 -6.690 -5.649 -7.521 1.00 0.00 O ATOM 390 NE2 GLN A 23 -5.996 -7.286 -8.880 1.00 0.00 N ATOM 0 H GLN A 23 -2.017 -4.138 -8.576 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.630 -4.018 -7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.335 -5.959 -8.589 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.515 -6.158 -7.053 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.290 -7.725 -7.042 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.794 -6.433 -5.971 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.278 -7.976 -9.100 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.824 -7.206 -9.471 1.00 0.00 H new ATOM 399 N ALA A 24 -2.060 -4.069 -5.388 1.00 0.00 N ATOM 400 CA ALA A 24 -1.645 -3.815 -4.019 1.00 0.00 C ATOM 401 C ALA A 24 -1.999 -2.398 -3.594 1.00 0.00 C ATOM 402 O ALA A 24 -2.509 -2.190 -2.499 1.00 0.00 O ATOM 403 CB ALA A 24 -0.154 -4.062 -3.859 1.00 0.00 C ATOM 0 H ALA A 24 -1.292 -4.278 -6.026 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.183 -4.506 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.139 -3.867 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.072 -5.098 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.398 -3.398 -4.524 1.00 0.00 H new ATOM 409 N LYS A 25 -1.739 -1.434 -4.472 1.00 0.00 N ATOM 410 CA LYS A 25 -2.046 -0.034 -4.200 1.00 0.00 C ATOM 411 C LYS A 25 -3.514 0.143 -3.825 1.00 0.00 C ATOM 412 O LYS A 25 -3.836 0.857 -2.873 1.00 0.00 O ATOM 413 CB LYS A 25 -1.685 0.831 -5.415 1.00 0.00 C ATOM 414 CG LYS A 25 -2.257 2.238 -5.374 1.00 0.00 C ATOM 415 CD LYS A 25 -1.582 3.141 -6.391 1.00 0.00 C ATOM 416 CE LYS A 25 -2.419 4.371 -6.702 1.00 0.00 C ATOM 417 NZ LYS A 25 -2.770 5.158 -5.491 1.00 0.00 N ATOM 0 H LYS A 25 -1.313 -1.599 -5.384 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.446 0.291 -3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.600 0.895 -5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.039 0.334 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.328 2.203 -5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.131 2.655 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.609 3.451 -6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.403 2.582 -7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.873 5.009 -7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.335 4.062 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.369 5.964 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.287 4.553 -4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.901 5.508 -5.041 1.00 0.00 H new ATOM 431 N ALA A 26 -4.396 -0.528 -4.557 1.00 0.00 N ATOM 432 CA ALA A 26 -5.821 -0.473 -4.268 1.00 0.00 C ATOM 433 C ALA A 26 -6.106 -1.005 -2.865 1.00 0.00 C ATOM 434 O ALA A 26 -6.929 -0.451 -2.136 1.00 0.00 O ATOM 435 CB ALA A 26 -6.604 -1.263 -5.305 1.00 0.00 C ATOM 0 H ALA A 26 -4.148 -1.115 -5.353 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.140 0.568 -4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.668 -1.212 -5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.426 -0.841 -6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.279 -2.303 -5.291 1.00 0.00 H new ATOM 441 N ARG A 27 -5.405 -2.069 -2.488 1.00 0.00 N ATOM 442 CA ARG A 27 -5.568 -2.657 -1.165 1.00 0.00 C ATOM 443 C ARG A 27 -4.991 -1.737 -0.092 1.00 0.00 C ATOM 444 O ARG A 27 -5.583 -1.577 0.968 1.00 0.00 O ATOM 445 CB ARG A 27 -4.892 -4.027 -1.085 1.00 0.00 C ATOM 446 CG ARG A 27 -5.304 -4.828 0.142 1.00 0.00 C ATOM 447 CD ARG A 27 -6.743 -5.312 0.025 1.00 0.00 C ATOM 448 NE ARG A 27 -7.237 -5.890 1.274 1.00 0.00 N ATOM 449 CZ ARG A 27 -7.011 -7.145 1.664 1.00 0.00 C ATOM 450 NH1 ARG A 27 -6.282 -7.959 0.911 1.00 0.00 N ATOM 451 NH2 ARG A 27 -7.526 -7.581 2.805 1.00 0.00 N ATOM 0 H ARG A 27 -4.720 -2.540 -3.079 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.636 -2.784 -0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.134 -4.598 -1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.811 -3.891 -1.076 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.638 -5.683 0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.196 -4.212 1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.382 -4.478 -0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.810 -6.056 -0.769 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.792 -5.293 1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.892 -7.626 0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.112 -8.918 1.214 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.092 -6.957 3.380 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.356 -8.540 3.108 1.00 0.00 H new ATOM 465 N ILE A 28 -3.838 -1.138 -0.375 1.00 0.00 N ATOM 466 CA ILE A 28 -3.180 -0.231 0.565 1.00 0.00 C ATOM 467 C ILE A 28 -4.106 0.915 0.951 1.00 0.00 C ATOM 468 O ILE A 28 -4.346 1.168 2.135 1.00 0.00 O ATOM 469 CB ILE A 28 -1.885 0.362 -0.031 1.00 0.00 C ATOM 470 CG1 ILE A 28 -0.908 -0.755 -0.399 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.239 1.332 0.952 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.279 -0.289 -1.212 1.00 0.00 C ATOM 0 H ILE A 28 -3.336 -1.265 -1.254 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.930 -0.819 1.448 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.142 0.911 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.547 -1.225 0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.442 -1.521 -0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.328 1.740 0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.932 2.144 1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.995 0.806 1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.925 -1.139 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.070 0.154 -2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.839 0.455 -0.645 1.00 0.00 H new ATOM 484 N GLU A 29 -4.639 1.592 -0.052 1.00 0.00 N ATOM 485 CA GLU A 29 -5.521 2.721 0.182 1.00 0.00 C ATOM 486 C GLU A 29 -6.854 2.248 0.767 1.00 0.00 C ATOM 487 O GLU A 29 -7.558 3.001 1.434 1.00 0.00 O ATOM 488 CB GLU A 29 -5.711 3.503 -1.118 1.00 0.00 C ATOM 489 CG GLU A 29 -4.396 4.049 -1.656 1.00 0.00 C ATOM 490 CD GLU A 29 -4.534 4.820 -2.953 1.00 0.00 C ATOM 491 OE1 GLU A 29 -4.791 4.191 -3.999 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.346 6.055 -2.943 1.00 0.00 O ATOM 0 H GLU A 29 -4.476 1.379 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.070 3.391 0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.167 2.855 -1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.402 4.328 -0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.950 4.700 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.706 3.220 -1.810 1.00 0.00 H new ATOM 499 N GLN A 30 -7.185 0.983 0.533 1.00 0.00 N ATOM 500 CA GLN A 30 -8.356 0.377 1.157 1.00 0.00 C ATOM 501 C GLN A 30 -8.103 0.180 2.651 1.00 0.00 C ATOM 502 O GLN A 30 -8.947 0.508 3.483 1.00 0.00 O ATOM 503 CB GLN A 30 -8.679 -0.964 0.501 1.00 0.00 C ATOM 504 CG GLN A 30 -9.937 -1.619 1.044 1.00 0.00 C ATOM 505 CD GLN A 30 -10.145 -3.015 0.499 1.00 0.00 C ATOM 506 OE1 GLN A 30 -9.696 -3.997 1.090 1.00 0.00 O ATOM 507 NE2 GLN A 30 -10.811 -3.110 -0.637 1.00 0.00 N ATOM 0 H GLN A 30 -6.662 0.359 -0.081 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.208 1.043 1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.791 -0.816 -0.573 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.837 -1.641 0.643 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.880 -1.662 2.132 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.801 -1.003 0.794 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.165 -2.269 -1.092 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.971 -4.025 -1.059 1.00 0.00 H new ATOM 516 N LEU A 31 -6.922 -0.338 2.974 1.00 0.00 N ATOM 517 CA LEU A 31 -6.521 -0.573 4.357 1.00 0.00 C ATOM 518 C LEU A 31 -6.528 0.730 5.151 1.00 0.00 C ATOM 519 O LEU A 31 -6.939 0.761 6.311 1.00 0.00 O ATOM 520 CB LEU A 31 -5.128 -1.208 4.398 1.00 0.00 C ATOM 521 CG LEU A 31 -5.025 -2.593 3.753 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.571 -2.996 3.575 1.00 0.00 C ATOM 523 CD2 LEU A 31 -5.761 -3.626 4.593 1.00 0.00 C ATOM 0 H LEU A 31 -6.218 -0.606 2.287 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.238 -1.256 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.426 -0.539 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.811 -1.284 5.438 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.492 -2.547 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.521 -3.983 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.068 -2.271 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.079 -3.023 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.678 -4.605 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.321 -3.665 5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.812 -3.349 4.672 1.00 0.00 H new ATOM 535 N ALA A 32 -6.081 1.808 4.519 1.00 0.00 N ATOM 536 CA ALA A 32 -6.083 3.119 5.158 1.00 0.00 C ATOM 537 C ALA A 32 -7.509 3.577 5.451 1.00 0.00 C ATOM 538 O ALA A 32 -7.791 4.129 6.515 1.00 0.00 O ATOM 539 CB ALA A 32 -5.362 4.136 4.291 1.00 0.00 C ATOM 0 H ALA A 32 -5.713 1.801 3.568 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.551 3.037 6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.374 5.108 4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.330 3.819 4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.864 4.212 3.326 1.00 0.00 H new ATOM 545 N ARG A 33 -8.410 3.327 4.509 1.00 0.00 N ATOM 546 CA ARG A 33 -9.815 3.662 4.686 1.00 0.00 C ATOM 547 C ARG A 33 -10.448 2.829 5.800 1.00 0.00 C ATOM 548 O ARG A 33 -11.406 3.264 6.441 1.00 0.00 O ATOM 549 CB ARG A 33 -10.567 3.476 3.369 1.00 0.00 C ATOM 550 CG ARG A 33 -10.258 4.569 2.358 1.00 0.00 C ATOM 551 CD ARG A 33 -10.880 4.284 0.999 1.00 0.00 C ATOM 552 NE ARG A 33 -10.125 3.277 0.256 1.00 0.00 N ATOM 553 CZ ARG A 33 -10.402 2.903 -0.995 1.00 0.00 C ATOM 554 NH1 ARG A 33 -11.432 3.436 -1.643 1.00 0.00 N ATOM 555 NH2 ARG A 33 -9.648 1.992 -1.599 1.00 0.00 N ATOM 0 H ARG A 33 -8.191 2.892 3.613 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.884 4.708 4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.308 2.507 2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.639 3.461 3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.628 5.524 2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.178 4.666 2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.906 3.942 1.134 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.924 5.206 0.419 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.336 2.831 0.724 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.016 4.135 -1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.638 3.146 -2.599 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.857 1.577 -1.107 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.860 1.707 -2.555 1.00 0.00 H new ATOM 569 N GLN A 34 -9.902 1.641 6.044 1.00 0.00 N ATOM 570 CA GLN A 34 -10.334 0.826 7.177 1.00 0.00 C ATOM 571 C GLN A 34 -9.922 1.492 8.486 1.00 0.00 C ATOM 572 O GLN A 34 -10.644 1.434 9.481 1.00 0.00 O ATOM 573 CB GLN A 34 -9.736 -0.581 7.116 1.00 0.00 C ATOM 574 CG GLN A 34 -10.134 -1.370 5.880 1.00 0.00 C ATOM 575 CD GLN A 34 -9.665 -2.815 5.926 1.00 0.00 C ATOM 576 OE1 GLN A 34 -10.299 -3.701 5.352 1.00 0.00 O ATOM 577 NE2 GLN A 34 -8.565 -3.069 6.620 1.00 0.00 N ATOM 0 H GLN A 34 -9.164 1.223 5.477 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.420 0.741 7.128 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.649 -0.504 7.151 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.045 -1.135 8.003 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.219 -1.348 5.775 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.718 -0.886 4.996 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.067 -2.308 7.082 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.217 -4.025 6.692 1.00 0.00 H new ATOM 586 N ALA A 35 -8.759 2.131 8.466 1.00 0.00 N ATOM 587 CA ALA A 35 -8.246 2.843 9.632 1.00 0.00 C ATOM 588 C ALA A 35 -8.827 4.251 9.704 1.00 0.00 C ATOM 589 O ALA A 35 -8.580 4.984 10.665 1.00 0.00 O ATOM 590 CB ALA A 35 -6.729 2.901 9.586 1.00 0.00 C ATOM 0 H ALA A 35 -8.149 2.171 7.650 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.551 2.301 10.527 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.359 3.435 10.461 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.326 1.888 9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.412 3.422 8.682 1.00 0.00 H new ATOM 596 N GLU A 36 -9.582 4.618 8.665 1.00 0.00 N ATOM 597 CA GLU A 36 -10.274 5.906 8.600 1.00 0.00 C ATOM 598 C GLU A 36 -9.279 7.052 8.459 1.00 0.00 C ATOM 599 O GLU A 36 -9.512 8.161 8.941 1.00 0.00 O ATOM 600 CB GLU A 36 -11.157 6.105 9.834 1.00 0.00 C ATOM 601 CG GLU A 36 -12.246 5.056 9.964 1.00 0.00 C ATOM 602 CD GLU A 36 -13.040 5.200 11.238 1.00 0.00 C ATOM 603 OE1 GLU A 36 -14.054 5.930 11.231 1.00 0.00 O ATOM 604 OE2 GLU A 36 -12.655 4.590 12.258 1.00 0.00 O ATOM 0 H GLU A 36 -9.730 4.029 7.845 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.913 5.904 7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.532 6.084 10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.616 7.093 9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.920 5.129 9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.796 4.064 9.931 1.00 0.00 H new ATOM 611 N GLN A 37 -8.180 6.781 7.772 1.00 0.00 N ATOM 612 CA GLN A 37 -7.169 7.793 7.516 1.00 0.00 C ATOM 613 C GLN A 37 -6.975 7.960 6.012 1.00 0.00 C ATOM 614 O GLN A 37 -7.062 6.992 5.258 1.00 0.00 O ATOM 615 CB GLN A 37 -5.847 7.415 8.197 1.00 0.00 C ATOM 616 CG GLN A 37 -5.270 6.082 7.738 1.00 0.00 C ATOM 617 CD GLN A 37 -4.071 5.643 8.560 1.00 0.00 C ATOM 618 OE1 GLN A 37 -3.973 5.943 9.747 1.00 0.00 O ATOM 619 NE2 GLN A 37 -3.144 4.936 7.934 1.00 0.00 N ATOM 0 H GLN A 37 -7.966 5.864 7.380 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.503 8.743 7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.115 8.200 8.007 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.003 7.379 9.275 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.044 5.317 7.797 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.978 6.160 6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.259 4.705 6.947 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.315 4.622 8.438 1.00 0.00 H new ATOM 628 N ASP A 38 -6.720 9.187 5.578 1.00 0.00 N ATOM 629 CA ASP A 38 -6.527 9.465 4.159 1.00 0.00 C ATOM 630 C ASP A 38 -5.048 9.486 3.829 1.00 0.00 C ATOM 631 O ASP A 38 -4.646 9.926 2.758 1.00 0.00 O ATOM 632 CB ASP A 38 -7.166 10.801 3.759 1.00 0.00 C ATOM 633 CG ASP A 38 -8.667 10.708 3.549 1.00 0.00 C ATOM 634 OD1 ASP A 38 -9.424 10.899 4.526 1.00 0.00 O ATOM 635 OD2 ASP A 38 -9.101 10.473 2.401 1.00 0.00 O ATOM 0 H ASP A 38 -6.642 10.003 6.184 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.015 8.671 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.959 11.541 4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.699 11.159 2.842 1.00 0.00 H new ATOM 640 N ILE A 39 -4.241 9.014 4.765 1.00 0.00 N ATOM 641 CA ILE A 39 -2.802 8.931 4.575 1.00 0.00 C ATOM 642 C ILE A 39 -2.350 7.489 4.754 1.00 0.00 C ATOM 643 O ILE A 39 -2.783 6.813 5.685 1.00 0.00 O ATOM 644 CB ILE A 39 -2.050 9.824 5.588 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.555 11.265 5.502 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.547 9.774 5.340 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.964 12.179 6.553 1.00 0.00 C ATOM 0 H ILE A 39 -4.563 8.679 5.673 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.572 9.279 3.568 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.244 9.444 6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.323 11.664 4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.641 11.267 5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.037 10.410 6.064 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.195 8.748 5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.333 10.129 4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.368 13.184 6.430 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.218 11.805 7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.880 12.208 6.442 1.00 0.00 H new ATOM 659 N VAL A 40 -1.497 7.015 3.864 1.00 0.00 N ATOM 660 CA VAL A 40 -0.985 5.663 3.971 1.00 0.00 C ATOM 661 C VAL A 40 0.466 5.681 4.433 1.00 0.00 C ATOM 662 O VAL A 40 1.246 6.563 4.064 1.00 0.00 O ATOM 663 CB VAL A 40 -1.093 4.882 2.640 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.513 4.933 2.094 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.099 5.401 1.613 1.00 0.00 C ATOM 0 H VAL A 40 -1.147 7.543 3.065 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.603 5.150 4.707 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.845 3.841 2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.563 4.377 1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.197 4.489 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.797 5.970 1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.200 4.832 0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.298 6.454 1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.914 5.290 1.999 1.00 0.00 H new ATOM 675 N THR A 41 0.813 4.719 5.260 1.00 0.00 N ATOM 676 CA THR A 41 2.173 4.572 5.727 1.00 0.00 C ATOM 677 C THR A 41 2.815 3.363 5.057 1.00 0.00 C ATOM 678 O THR A 41 2.110 2.511 4.508 1.00 0.00 O ATOM 679 CB THR A 41 2.203 4.402 7.258 1.00 0.00 C ATOM 680 OG1 THR A 41 1.328 3.335 7.645 1.00 0.00 O ATOM 681 CG2 THR A 41 1.781 5.687 7.956 1.00 0.00 C ATOM 0 H THR A 41 0.165 4.021 5.625 1.00 0.00 H new ATOM 0 HA THR A 41 2.733 5.470 5.468 1.00 0.00 H new ATOM 0 HB THR A 41 3.224 4.165 7.556 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.352 3.229 8.619 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.810 5.541 9.036 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.462 6.492 7.680 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.767 5.950 7.653 1.00 0.00 H new ATOM 689 N PRO A 42 4.154 3.263 5.079 1.00 0.00 N ATOM 690 CA PRO A 42 4.860 2.106 4.520 1.00 0.00 C ATOM 691 C PRO A 42 4.433 0.808 5.205 1.00 0.00 C ATOM 692 O PRO A 42 4.532 -0.276 4.632 1.00 0.00 O ATOM 693 CB PRO A 42 6.341 2.405 4.802 1.00 0.00 C ATOM 694 CG PRO A 42 6.335 3.457 5.861 1.00 0.00 C ATOM 695 CD PRO A 42 5.089 4.260 5.629 1.00 0.00 C ATOM 0 HA PRO A 42 4.648 1.965 3.460 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.866 1.511 5.139 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.850 2.754 3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.334 3.011 6.856 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.223 4.085 5.794 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.714 4.700 6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.261 5.081 4.932 1.00 0.00 H new ATOM 703 N GLU A 43 3.948 0.951 6.433 1.00 0.00 N ATOM 704 CA GLU A 43 3.419 -0.157 7.214 1.00 0.00 C ATOM 705 C GLU A 43 2.271 -0.844 6.475 1.00 0.00 C ATOM 706 O GLU A 43 2.254 -2.071 6.331 1.00 0.00 O ATOM 707 CB GLU A 43 2.938 0.382 8.561 1.00 0.00 C ATOM 708 CG GLU A 43 2.189 -0.624 9.409 1.00 0.00 C ATOM 709 CD GLU A 43 1.607 0.011 10.650 1.00 0.00 C ATOM 710 OE1 GLU A 43 0.686 0.839 10.522 1.00 0.00 O ATOM 711 OE2 GLU A 43 2.084 -0.294 11.761 1.00 0.00 O ATOM 0 H GLU A 43 3.911 1.848 6.917 1.00 0.00 H new ATOM 0 HA GLU A 43 4.203 -0.899 7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.800 0.741 9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.292 1.242 8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.388 -1.071 8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.863 -1.431 9.696 1.00 0.00 H new ATOM 718 N LEU A 44 1.329 -0.040 5.997 1.00 0.00 N ATOM 719 CA LEU A 44 0.164 -0.555 5.285 1.00 0.00 C ATOM 720 C LEU A 44 0.569 -1.124 3.933 1.00 0.00 C ATOM 721 O LEU A 44 0.050 -2.155 3.503 1.00 0.00 O ATOM 722 CB LEU A 44 -0.888 0.543 5.098 1.00 0.00 C ATOM 723 CG LEU A 44 -1.826 0.782 6.290 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.049 1.163 7.544 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.835 1.864 5.951 1.00 0.00 C ATOM 0 H LEU A 44 1.349 0.976 6.090 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.270 -1.354 5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.374 1.477 4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.495 0.294 4.227 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.353 -0.150 6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.744 1.325 8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.360 0.359 7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.486 2.078 7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.495 2.026 6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.310 2.790 5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.425 1.554 5.088 1.00 0.00 H new ATOM 737 N VAL A 45 1.499 -0.444 3.272 1.00 0.00 N ATOM 738 CA VAL A 45 2.017 -0.902 1.987 1.00 0.00 C ATOM 739 C VAL A 45 2.631 -2.290 2.132 1.00 0.00 C ATOM 740 O VAL A 45 2.371 -3.186 1.327 1.00 0.00 O ATOM 741 CB VAL A 45 3.084 0.062 1.420 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.534 -0.392 0.040 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.547 1.485 1.371 1.00 0.00 C ATOM 0 H VAL A 45 1.911 0.428 3.605 1.00 0.00 H new ATOM 0 HA VAL A 45 1.177 -0.933 1.294 1.00 0.00 H new ATOM 0 HB VAL A 45 3.949 0.047 2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.285 0.299 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.962 -1.392 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.678 -0.408 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.312 2.149 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.665 1.519 0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.279 1.807 2.377 1.00 0.00 H new ATOM 753 N GLU A 46 3.436 -2.454 3.174 1.00 0.00 N ATOM 754 CA GLU A 46 4.078 -3.728 3.457 1.00 0.00 C ATOM 755 C GLU A 46 3.029 -4.816 3.643 1.00 0.00 C ATOM 756 O GLU A 46 3.069 -5.850 2.978 1.00 0.00 O ATOM 757 CB GLU A 46 4.926 -3.612 4.721 1.00 0.00 C ATOM 758 CG GLU A 46 6.006 -4.672 4.839 1.00 0.00 C ATOM 759 CD GLU A 46 7.177 -4.403 3.916 1.00 0.00 C ATOM 760 OE1 GLU A 46 7.968 -3.479 4.212 1.00 0.00 O ATOM 761 OE2 GLU A 46 7.323 -5.112 2.899 1.00 0.00 O ATOM 0 H GLU A 46 3.660 -1.715 3.840 1.00 0.00 H new ATOM 0 HA GLU A 46 4.718 -3.992 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.393 -2.628 4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.273 -3.675 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.360 -4.714 5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.581 -5.649 4.608 1.00 0.00 H new ATOM 768 N GLN A 47 2.075 -4.558 4.535 1.00 0.00 N ATOM 769 CA GLN A 47 1.016 -5.514 4.832 1.00 0.00 C ATOM 770 C GLN A 47 0.261 -5.913 3.576 1.00 0.00 C ATOM 771 O GLN A 47 -0.012 -7.091 3.366 1.00 0.00 O ATOM 772 CB GLN A 47 0.045 -4.946 5.868 1.00 0.00 C ATOM 773 CG GLN A 47 0.544 -5.069 7.296 1.00 0.00 C ATOM 774 CD GLN A 47 0.737 -6.514 7.724 1.00 0.00 C ATOM 775 OE1 GLN A 47 1.608 -6.824 8.533 1.00 0.00 O ATOM 776 NE2 GLN A 47 -0.081 -7.410 7.193 1.00 0.00 N ATOM 0 H GLN A 47 2.016 -3.689 5.066 1.00 0.00 H new ATOM 0 HA GLN A 47 1.489 -6.406 5.244 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.138 -3.895 5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.911 -5.462 5.780 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.489 -4.535 7.394 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.166 -4.586 7.968 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.793 -7.117 6.524 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.001 -8.393 7.453 1.00 0.00 H new ATOM 785 N ALA A 48 -0.061 -4.935 2.741 1.00 0.00 N ATOM 786 CA ALA A 48 -0.749 -5.206 1.489 1.00 0.00 C ATOM 787 C ALA A 48 0.088 -6.115 0.596 1.00 0.00 C ATOM 788 O ALA A 48 -0.442 -7.022 -0.047 1.00 0.00 O ATOM 789 CB ALA A 48 -1.074 -3.910 0.769 1.00 0.00 C ATOM 0 H ALA A 48 0.143 -3.950 2.908 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.683 -5.719 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.589 -4.132 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.716 -3.295 1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.151 -3.371 0.556 1.00 0.00 H new ATOM 795 N ARG A 49 1.397 -5.891 0.581 1.00 0.00 N ATOM 796 CA ARG A 49 2.286 -6.705 -0.230 1.00 0.00 C ATOM 797 C ARG A 49 2.325 -8.125 0.313 1.00 0.00 C ATOM 798 O ARG A 49 2.346 -9.085 -0.447 1.00 0.00 O ATOM 799 CB ARG A 49 3.698 -6.127 -0.262 1.00 0.00 C ATOM 800 CG ARG A 49 4.632 -6.931 -1.149 1.00 0.00 C ATOM 801 CD ARG A 49 6.064 -6.459 -1.032 1.00 0.00 C ATOM 802 NE ARG A 49 6.988 -7.372 -1.708 1.00 0.00 N ATOM 803 CZ ARG A 49 8.268 -7.102 -1.958 1.00 0.00 C ATOM 804 NH1 ARG A 49 8.804 -5.952 -1.559 1.00 0.00 N ATOM 805 NH2 ARG A 49 9.014 -7.995 -2.592 1.00 0.00 N ATOM 0 H ARG A 49 1.861 -5.158 1.118 1.00 0.00 H new ATOM 0 HA ARG A 49 1.900 -6.711 -1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.658 -5.098 -0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.099 -6.098 0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.574 -7.985 -0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.307 -6.851 -2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.156 -5.462 -1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.336 -6.378 0.020 1.00 0.00 H new ATOM 0 HE ARG A 49 6.626 -8.277 -2.008 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.234 -5.270 -1.058 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.785 -5.752 -1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.607 -8.883 -2.886 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.995 -7.794 -2.786 1.00 0.00 H new ATOM 819 N LEU A 50 2.313 -8.245 1.633 1.00 0.00 N ATOM 820 CA LEU A 50 2.341 -9.546 2.283 1.00 0.00 C ATOM 821 C LEU A 50 1.044 -10.312 2.036 1.00 0.00 C ATOM 822 O LEU A 50 1.054 -11.539 1.928 1.00 0.00 O ATOM 823 CB LEU A 50 2.586 -9.392 3.785 1.00 0.00 C ATOM 824 CG LEU A 50 3.888 -10.013 4.288 1.00 0.00 C ATOM 825 CD1 LEU A 50 3.922 -11.499 3.962 1.00 0.00 C ATOM 826 CD2 LEU A 50 5.085 -9.301 3.676 1.00 0.00 C ATOM 0 H LEU A 50 2.284 -7.454 2.276 1.00 0.00 H new ATOM 0 HA LEU A 50 3.162 -10.118 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.587 -8.330 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.753 -9.844 4.323 1.00 0.00 H new ATOM 0 HG LEU A 50 3.937 -9.896 5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.855 -11.930 4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.080 -11.997 4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.855 -11.636 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.005 -9.755 4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.045 -9.390 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.063 -8.247 3.955 1.00 0.00 H new ATOM 838 N GLU A 51 -0.066 -9.588 1.947 1.00 0.00 N ATOM 839 CA GLU A 51 -1.353 -10.195 1.618 1.00 0.00 C ATOM 840 C GLU A 51 -1.283 -10.881 0.258 1.00 0.00 C ATOM 841 O GLU A 51 -1.702 -12.029 0.103 1.00 0.00 O ATOM 842 CB GLU A 51 -2.460 -9.137 1.609 1.00 0.00 C ATOM 843 CG GLU A 51 -2.728 -8.512 2.970 1.00 0.00 C ATOM 844 CD GLU A 51 -3.328 -9.488 3.961 1.00 0.00 C ATOM 845 OE1 GLU A 51 -2.566 -10.188 4.661 1.00 0.00 O ATOM 846 OE2 GLU A 51 -4.571 -9.558 4.049 1.00 0.00 O ATOM 0 H GLU A 51 -0.102 -8.580 2.098 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.584 -10.939 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.190 -8.349 0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.380 -9.591 1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.795 -8.120 3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.403 -7.665 2.848 1.00 0.00 H new ATOM 853 N PHE A 52 -0.721 -10.181 -0.720 1.00 0.00 N ATOM 854 CA PHE A 52 -0.606 -10.721 -2.068 1.00 0.00 C ATOM 855 C PHE A 52 0.575 -11.681 -2.163 1.00 0.00 C ATOM 856 O PHE A 52 0.600 -12.571 -3.013 1.00 0.00 O ATOM 857 CB PHE A 52 -0.467 -9.595 -3.095 1.00 0.00 C ATOM 858 CG PHE A 52 -1.712 -8.763 -3.233 1.00 0.00 C ATOM 859 CD1 PHE A 52 -2.809 -9.251 -3.920 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.786 -7.501 -2.669 1.00 0.00 C ATOM 861 CE1 PHE A 52 -3.959 -8.495 -4.045 1.00 0.00 C ATOM 862 CE2 PHE A 52 -2.932 -6.740 -2.791 1.00 0.00 C ATOM 863 CZ PHE A 52 -4.020 -7.237 -3.479 1.00 0.00 C ATOM 0 H PHE A 52 -0.339 -9.242 -0.605 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.518 -11.274 -2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.363 -8.950 -2.807 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.216 -10.025 -4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.766 -10.235 -4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.938 -7.107 -2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.808 -8.887 -4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.977 -5.756 -2.348 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.917 -6.643 -3.575 1.00 0.00 H new ATOM 873 N GLY A 53 1.546 -11.496 -1.281 1.00 0.00 N ATOM 874 CA GLY A 53 2.665 -12.410 -1.194 1.00 0.00 C ATOM 875 C GLY A 53 2.220 -13.788 -0.754 1.00 0.00 C ATOM 876 O GLY A 53 2.768 -14.798 -1.191 1.00 0.00 O ATOM 0 H GLY A 53 1.578 -10.721 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.158 -12.478 -2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.400 -12.021 -0.489 1.00 0.00 H new ATOM 880 N GLN A 54 1.218 -13.823 0.116 1.00 0.00 N ATOM 881 CA GLN A 54 0.640 -15.079 0.559 1.00 0.00 C ATOM 882 C GLN A 54 -0.304 -15.634 -0.495 1.00 0.00 C ATOM 883 O GLN A 54 -0.456 -16.842 -0.621 1.00 0.00 O ATOM 884 CB GLN A 54 -0.096 -14.906 1.890 1.00 0.00 C ATOM 885 CG GLN A 54 0.828 -14.700 3.080 1.00 0.00 C ATOM 886 CD GLN A 54 1.702 -15.908 3.376 1.00 0.00 C ATOM 887 OE1 GLN A 54 2.091 -16.657 2.477 1.00 0.00 O ATOM 888 NE2 GLN A 54 2.007 -16.113 4.644 1.00 0.00 N ATOM 0 H GLN A 54 0.791 -12.993 0.527 1.00 0.00 H new ATOM 0 HA GLN A 54 1.454 -15.788 0.708 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.770 -14.053 1.813 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.714 -15.786 2.070 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.465 -13.836 2.892 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.229 -14.468 3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.667 -15.472 5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.583 -16.913 4.907 1.00 0.00 H new ATOM 897 N LEU A 55 -0.926 -14.744 -1.263 1.00 0.00 N ATOM 898 CA LEU A 55 -1.800 -15.154 -2.362 1.00 0.00 C ATOM 899 C LEU A 55 -1.050 -16.044 -3.348 1.00 0.00 C ATOM 900 O LEU A 55 -1.636 -16.919 -3.989 1.00 0.00 O ATOM 901 CB LEU A 55 -2.348 -13.928 -3.096 1.00 0.00 C ATOM 902 CG LEU A 55 -3.869 -13.772 -3.061 1.00 0.00 C ATOM 903 CD1 LEU A 55 -4.351 -13.594 -1.631 1.00 0.00 C ATOM 904 CD2 LEU A 55 -4.303 -12.595 -3.923 1.00 0.00 C ATOM 0 H LEU A 55 -0.842 -13.734 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.630 -15.719 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.897 -13.035 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.028 -13.975 -4.137 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.320 -14.678 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.435 -13.484 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.070 -14.467 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.893 -12.703 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.388 -12.498 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.844 -11.680 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.988 -12.762 -4.953 1.00 0.00 H new ATOM 916 N GLU A 56 0.252 -15.819 -3.452 1.00 0.00 N ATOM 917 CA GLU A 56 1.098 -16.586 -4.349 1.00 0.00 C ATOM 918 C GLU A 56 1.410 -17.969 -3.780 1.00 0.00 C ATOM 919 O GLU A 56 2.523 -18.235 -3.321 1.00 0.00 O ATOM 920 CB GLU A 56 2.395 -15.829 -4.639 1.00 0.00 C ATOM 921 CG GLU A 56 2.181 -14.517 -5.370 1.00 0.00 C ATOM 922 CD GLU A 56 1.509 -14.714 -6.715 1.00 0.00 C ATOM 923 OE1 GLU A 56 2.208 -15.084 -7.683 1.00 0.00 O ATOM 924 OE2 GLU A 56 0.284 -14.504 -6.810 1.00 0.00 O ATOM 0 H GLU A 56 0.747 -15.104 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 56 0.551 -16.723 -5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.909 -15.632 -3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.051 -16.464 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.571 -13.855 -4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.142 -14.023 -5.515 1.00 0.00 H new ATOM 931 N HIS A 57 0.408 -18.833 -3.771 1.00 0.00 N ATOM 932 CA HIS A 57 0.615 -20.233 -3.428 1.00 0.00 C ATOM 933 C HIS A 57 0.716 -21.048 -4.706 1.00 0.00 C ATOM 934 O HIS A 57 1.778 -21.573 -5.044 1.00 0.00 O ATOM 935 CB HIS A 57 -0.522 -20.784 -2.557 1.00 0.00 C ATOM 936 CG HIS A 57 -0.561 -20.239 -1.161 1.00 0.00 C ATOM 937 ND1 HIS A 57 0.461 -20.410 -0.255 1.00 0.00 N ATOM 938 CD2 HIS A 57 -1.514 -19.526 -0.516 1.00 0.00 C ATOM 939 CE1 HIS A 57 0.141 -19.827 0.885 1.00 0.00 C ATOM 940 NE2 HIS A 57 -1.054 -19.280 0.756 1.00 0.00 N ATOM 0 H HIS A 57 -0.557 -18.591 -3.997 1.00 0.00 H new ATOM 0 HA HIS A 57 1.538 -20.307 -2.853 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.473 -20.567 -3.044 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.430 -21.869 -2.507 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.462 -19.209 -0.925 1.00 0.00 H new ATOM 0 HE1 HIS A 57 0.754 -19.802 1.774 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.552 -18.762 1.479 1.00 0.00 H new ATOM 949 N HIS A 58 -0.395 -21.126 -5.427 1.00 0.00 N ATOM 950 CA HIS A 58 -0.453 -21.862 -6.679 1.00 0.00 C ATOM 951 C HIS A 58 -1.541 -21.280 -7.574 1.00 0.00 C ATOM 952 O HIS A 58 -2.724 -21.560 -7.385 1.00 0.00 O ATOM 953 CB HIS A 58 -0.724 -23.347 -6.395 1.00 0.00 C ATOM 954 CG HIS A 58 -0.826 -24.203 -7.617 1.00 0.00 C ATOM 955 ND1 HIS A 58 0.261 -24.804 -8.209 1.00 0.00 N ATOM 956 CD2 HIS A 58 -1.901 -24.570 -8.351 1.00 0.00 C ATOM 957 CE1 HIS A 58 -0.140 -25.499 -9.256 1.00 0.00 C ATOM 958 NE2 HIS A 58 -1.448 -25.374 -9.363 1.00 0.00 N ATOM 0 H HIS A 58 -1.275 -20.683 -5.161 1.00 0.00 H new ATOM 0 HA HIS A 58 0.503 -21.774 -7.195 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.074 -23.734 -5.761 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -1.651 -23.432 -5.828 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -2.927 -24.282 -8.172 1.00 0.00 H new ATOM 0 HE1 HIS A 58 0.495 -26.073 -9.914 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -2.028 -25.806 -10.082 1.00 0.00 H new ATOM 967 N HIS A 59 -1.148 -20.459 -8.535 1.00 0.00 N ATOM 968 CA HIS A 59 -2.108 -19.870 -9.460 1.00 0.00 C ATOM 969 C HIS A 59 -2.144 -20.635 -10.773 1.00 0.00 C ATOM 970 O HIS A 59 -1.147 -20.719 -11.490 1.00 0.00 O ATOM 971 CB HIS A 59 -1.791 -18.396 -9.728 1.00 0.00 C ATOM 972 CG HIS A 59 -2.341 -17.465 -8.692 1.00 0.00 C ATOM 973 ND1 HIS A 59 -1.551 -16.802 -7.781 1.00 0.00 N ATOM 974 CD2 HIS A 59 -3.612 -17.070 -8.442 1.00 0.00 C ATOM 975 CE1 HIS A 59 -2.310 -16.040 -7.015 1.00 0.00 C ATOM 976 NE2 HIS A 59 -3.566 -16.183 -7.396 1.00 0.00 N ATOM 0 H HIS A 59 -0.179 -20.186 -8.696 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.089 -19.934 -8.989 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -0.710 -18.270 -9.780 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.192 -18.119 -10.703 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -4.498 -17.393 -8.968 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.962 -15.407 -6.212 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.370 -15.712 -6.981 1.00 0.00 H new ATOM 985 N HIS A 60 -3.301 -21.203 -11.070 1.00 0.00 N ATOM 986 CA HIS A 60 -3.524 -21.891 -12.330 1.00 0.00 C ATOM 987 C HIS A 60 -4.235 -20.955 -13.298 1.00 0.00 C ATOM 988 O HIS A 60 -4.101 -21.077 -14.516 1.00 0.00 O ATOM 989 CB HIS A 60 -4.363 -23.153 -12.103 1.00 0.00 C ATOM 990 CG HIS A 60 -4.565 -23.983 -13.335 1.00 0.00 C ATOM 991 ND1 HIS A 60 -5.691 -23.897 -14.130 1.00 0.00 N ATOM 992 CD2 HIS A 60 -3.784 -24.930 -13.901 1.00 0.00 C ATOM 993 CE1 HIS A 60 -5.590 -24.757 -15.125 1.00 0.00 C ATOM 994 NE2 HIS A 60 -4.442 -25.395 -15.011 1.00 0.00 N ATOM 0 H HIS A 60 -4.109 -21.200 -10.447 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.564 -22.186 -12.753 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.881 -23.765 -11.341 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.337 -22.863 -11.710 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.819 -25.260 -13.545 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.324 -24.912 -15.902 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.099 -26.117 -15.645 1.00 0.00 H new ATOM 1003 N HIS A 61 -4.985 -20.013 -12.745 1.00 0.00 N ATOM 1004 CA HIS A 61 -5.747 -19.077 -13.553 1.00 0.00 C ATOM 1005 C HIS A 61 -5.023 -17.741 -13.651 1.00 0.00 C ATOM 1006 O HIS A 61 -4.528 -17.211 -12.654 1.00 0.00 O ATOM 1007 CB HIS A 61 -7.145 -18.871 -12.968 1.00 0.00 C ATOM 1008 CG HIS A 61 -8.054 -18.071 -13.852 1.00 0.00 C ATOM 1009 ND1 HIS A 61 -8.222 -16.709 -13.725 1.00 0.00 N ATOM 1010 CD2 HIS A 61 -8.843 -18.449 -14.885 1.00 0.00 C ATOM 1011 CE1 HIS A 61 -9.074 -16.286 -14.637 1.00 0.00 C ATOM 1012 NE2 HIS A 61 -9.464 -17.323 -15.355 1.00 0.00 N ATOM 0 H HIS A 61 -5.081 -19.878 -11.739 1.00 0.00 H new ATOM 0 HA HIS A 61 -5.845 -19.498 -14.554 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.598 -19.844 -12.781 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.056 -18.370 -12.004 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.961 -19.452 -15.267 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -9.398 -15.265 -14.774 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -10.122 -17.291 -16.134 1.00 0.00 H new ATOM 1021 N HIS A 62 -4.968 -17.212 -14.861 1.00 0.00 N ATOM 1022 CA HIS A 62 -4.340 -15.926 -15.120 1.00 0.00 C ATOM 1023 C HIS A 62 -5.083 -15.207 -16.238 1.00 0.00 C ATOM 1024 O HIS A 62 -4.698 -15.359 -17.412 1.00 0.00 O ATOM 1025 CB HIS A 62 -2.849 -16.097 -15.469 1.00 0.00 C ATOM 1026 CG HIS A 62 -2.561 -17.215 -16.428 1.00 0.00 C ATOM 1027 ND1 HIS A 62 -2.507 -17.053 -17.796 1.00 0.00 N ATOM 1028 CD2 HIS A 62 -2.319 -18.526 -16.200 1.00 0.00 C ATOM 1029 CE1 HIS A 62 -2.247 -18.216 -18.363 1.00 0.00 C ATOM 1030 NE2 HIS A 62 -2.128 -19.127 -17.417 1.00 0.00 N ATOM 1031 OXT HIS A 62 -6.076 -14.517 -15.937 1.00 0.00 O ATOM 0 H HIS A 62 -5.356 -17.660 -15.691 1.00 0.00 H new ATOM 0 HA HIS A 62 -4.395 -15.321 -14.215 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.479 -15.165 -15.895 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.291 -16.271 -14.549 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.646 -16.173 -18.292 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -2.283 -19.011 -15.236 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.148 -18.392 -19.424 1.00 0.00 H new TER 1040 HIS A 62