USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 353 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 23 SER OG : rot 130:sc= -0.506 USER MOD Set 1.2: A 38 MET CE :methyl -117:sc= -0.629 (180deg=-5.44!) USER MOD Set 2.1: A 31 ASN : amide:sc= -3.84! C(o=-5.8!,f=-7.3!) USER MOD Set 2.2: A 34 LYS NZ :NH3+ 178:sc= -1.92! (180deg=-1.06) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 163:sc= -2.55! (180deg=-0.0466) USER MOD Set 3.2: A 17 ASN : amide:sc= -2.69! K(o=-5.2!,f=1) USER MOD Single : A 1 ASN : amide:sc= -0.801! C(o=-0.8!,f=-7.2!) USER MOD Single : A 1 ASN N :NH3+ -176:sc= -0.0405 (180deg=-0.0477) USER MOD Single : A 5 THR OG1 : rot -43:sc= 0.0447 USER MOD Single : A 9 MET CE :methyl -157:sc= -1.27 (180deg=-2.65!) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 26 ASN : amide:sc= -5.21! C(o=-5.2!,f=-4.4!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -6.982 25.212 -1.530 1.00 0.00 N ATOM 2 CA ASN A 1 -8.064 25.984 -2.201 1.00 0.00 C ATOM 3 C ASN A 1 -8.352 25.368 -3.569 1.00 0.00 C ATOM 4 O ASN A 1 -9.205 25.829 -4.301 1.00 0.00 O ATOM 5 CB ASN A 1 -7.627 27.443 -2.377 1.00 0.00 C ATOM 6 CG ASN A 1 -6.585 27.539 -3.495 1.00 0.00 C ATOM 7 OD1 ASN A 1 -5.975 26.553 -3.860 1.00 0.00 O ATOM 8 ND2 ASN A 1 -6.356 28.694 -4.058 1.00 0.00 N ATOM 0 H1 ASN A 1 -6.831 25.587 -0.572 1.00 0.00 H new ATOM 0 H2 ASN A 1 -7.256 24.210 -1.471 1.00 0.00 H new ATOM 0 H3 ASN A 1 -6.103 25.299 -2.078 1.00 0.00 H new ATOM 0 HA ASN A 1 -8.965 25.951 -1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -8.490 28.065 -2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -7.210 27.823 -1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -5.665 28.769 -4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -6.868 29.521 -3.752 1.00 0.00 H new ATOM 14 N ASP A 2 -7.645 24.331 -3.924 1.00 0.00 N ATOM 15 CA ASP A 2 -7.876 23.689 -5.248 1.00 0.00 C ATOM 16 C ASP A 2 -9.208 22.938 -5.233 1.00 0.00 C ATOM 17 O ASP A 2 -9.685 22.514 -4.198 1.00 0.00 O ATOM 18 CB ASP A 2 -6.740 22.711 -5.553 1.00 0.00 C ATOM 19 CG ASP A 2 -6.733 21.581 -4.521 1.00 0.00 C ATOM 20 OD1 ASP A 2 -7.701 21.470 -3.786 1.00 0.00 O ATOM 21 OD2 ASP A 2 -5.760 20.845 -4.486 1.00 0.00 O ATOM 0 H ASP A 2 -6.917 23.900 -3.354 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.905 24.460 -6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -6.862 22.299 -6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.784 23.235 -5.538 1.00 0.00 H new ATOM 26 N ILE A 3 -9.810 22.770 -6.378 1.00 0.00 N ATOM 27 CA ILE A 3 -11.110 22.046 -6.441 1.00 0.00 C ATOM 28 C ILE A 3 -10.853 20.537 -6.415 1.00 0.00 C ATOM 29 O ILE A 3 -11.772 19.740 -6.370 1.00 0.00 O ATOM 30 CB ILE A 3 -11.838 22.419 -7.735 1.00 0.00 C ATOM 31 CG1 ILE A 3 -11.944 23.942 -7.844 1.00 0.00 C ATOM 32 CG2 ILE A 3 -13.244 21.817 -7.720 1.00 0.00 C ATOM 33 CD1 ILE A 3 -12.556 24.508 -6.562 1.00 0.00 C ATOM 0 H ILE A 3 -9.456 23.104 -7.275 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.725 22.325 -5.585 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.280 22.030 -8.587 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.957 24.374 -8.009 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -12.558 24.213 -8.703 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -13.763 22.082 -8.641 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.174 20.732 -7.642 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -13.798 22.207 -6.866 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -12.630 25.592 -6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -13.550 24.086 -6.416 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.924 24.250 -5.712 1.00 0.00 H new ATOM 45 N ARG A 4 -9.611 20.136 -6.445 1.00 0.00 N ATOM 46 CA ARG A 4 -9.290 18.681 -6.422 1.00 0.00 C ATOM 47 C ARG A 4 -9.454 18.143 -5.004 1.00 0.00 C ATOM 48 O ARG A 4 -9.225 16.980 -4.737 1.00 0.00 O ATOM 49 CB ARG A 4 -7.844 18.477 -6.870 1.00 0.00 C ATOM 50 CG ARG A 4 -7.688 18.974 -8.306 1.00 0.00 C ATOM 51 CD ARG A 4 -6.280 18.655 -8.811 1.00 0.00 C ATOM 52 NE ARG A 4 -6.093 19.265 -10.158 1.00 0.00 N ATOM 53 CZ ARG A 4 -4.903 19.316 -10.691 1.00 0.00 C ATOM 54 NH1 ARG A 4 -3.881 18.817 -10.052 1.00 0.00 N ATOM 55 NH2 ARG A 4 -4.737 19.860 -11.866 1.00 0.00 N ATOM 0 H ARG A 4 -8.802 20.756 -6.485 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.965 18.151 -7.094 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.166 19.018 -6.210 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.576 17.422 -6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.431 18.501 -8.948 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.866 20.048 -8.351 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.535 19.043 -8.116 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.135 17.576 -8.864 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.895 19.642 -10.663 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.012 18.387 -9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.951 18.857 -10.468 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.537 20.245 -12.367 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.807 19.900 -12.283 1.00 0.00 H new ATOM 69 N THR A 5 -9.845 18.982 -4.091 1.00 0.00 N ATOM 70 CA THR A 5 -10.017 18.525 -2.690 1.00 0.00 C ATOM 71 C THR A 5 -11.321 17.733 -2.569 1.00 0.00 C ATOM 72 O THR A 5 -11.682 17.273 -1.505 1.00 0.00 O ATOM 73 CB THR A 5 -10.074 19.744 -1.773 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.773 19.351 -0.442 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.473 20.357 -1.825 1.00 0.00 C ATOM 0 H THR A 5 -10.053 19.967 -4.256 1.00 0.00 H new ATOM 0 HA THR A 5 -9.180 17.888 -2.404 1.00 0.00 H new ATOM 0 HB THR A 5 -9.344 20.483 -2.104 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.245 18.518 -0.232 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.513 21.227 -1.170 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.699 20.661 -2.847 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.206 19.620 -1.495 1.00 0.00 H new ATOM 83 N ALA A 6 -12.027 17.569 -3.655 1.00 0.00 N ATOM 84 CA ALA A 6 -13.305 16.804 -3.601 1.00 0.00 C ATOM 85 C ALA A 6 -13.003 15.305 -3.609 1.00 0.00 C ATOM 86 O ALA A 6 -13.886 14.481 -3.472 1.00 0.00 O ATOM 87 CB ALA A 6 -14.163 17.153 -4.819 1.00 0.00 C ATOM 0 H ALA A 6 -11.775 17.931 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.843 17.064 -2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.097 16.593 -4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.380 18.221 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.624 16.894 -5.730 1.00 0.00 H new ATOM 93 N ALA A 7 -11.762 14.946 -3.777 1.00 0.00 N ATOM 94 CA ALA A 7 -11.399 13.502 -3.802 1.00 0.00 C ATOM 95 C ALA A 7 -11.552 12.907 -2.401 1.00 0.00 C ATOM 96 O ALA A 7 -11.240 13.537 -1.409 1.00 0.00 O ATOM 97 CB ALA A 7 -9.948 13.356 -4.260 1.00 0.00 C ATOM 0 H ALA A 7 -10.981 15.591 -3.898 1.00 0.00 H new ATOM 0 HA ALA A 7 -12.058 12.974 -4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.677 12.300 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.838 13.778 -5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.293 13.885 -3.568 1.00 0.00 H new ATOM 103 N ASP A 8 -12.014 11.691 -2.315 1.00 0.00 N ATOM 104 CA ASP A 8 -12.170 11.040 -0.986 1.00 0.00 C ATOM 105 C ASP A 8 -11.081 9.985 -0.832 1.00 0.00 C ATOM 106 O ASP A 8 -11.104 9.172 0.070 1.00 0.00 O ATOM 107 CB ASP A 8 -13.543 10.375 -0.898 1.00 0.00 C ATOM 108 CG ASP A 8 -14.630 11.449 -0.897 1.00 0.00 C ATOM 109 OD1 ASP A 8 -14.288 12.608 -0.728 1.00 0.00 O ATOM 110 OD2 ASP A 8 -15.785 11.096 -1.067 1.00 0.00 O ATOM 0 H ASP A 8 -12.291 11.118 -3.112 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.085 11.784 -0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.686 9.699 -1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.610 9.774 0.009 1.00 0.00 H new ATOM 115 N MET A 9 -10.133 9.986 -1.725 1.00 0.00 N ATOM 116 CA MET A 9 -9.043 8.979 -1.658 1.00 0.00 C ATOM 117 C MET A 9 -7.925 9.478 -0.752 1.00 0.00 C ATOM 118 O MET A 9 -6.827 8.958 -0.758 1.00 0.00 O ATOM 119 CB MET A 9 -8.492 8.740 -3.063 1.00 0.00 C ATOM 120 CG MET A 9 -9.573 8.096 -3.936 1.00 0.00 C ATOM 121 SD MET A 9 -10.307 6.692 -3.058 1.00 0.00 S ATOM 122 CE MET A 9 -8.754 5.897 -2.564 1.00 0.00 C ATOM 0 H MET A 9 -10.067 10.644 -2.501 1.00 0.00 H new ATOM 0 HA MET A 9 -9.439 8.048 -1.253 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.169 9.683 -3.503 1.00 0.00 H new ATOM 0 HB3 MET A 9 -7.616 8.094 -3.016 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.343 8.829 -4.179 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.141 7.762 -4.880 1.00 0.00 H new ATOM 0 HE1 MET A 9 -8.931 4.838 -2.376 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.020 6.006 -3.362 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.376 6.369 -1.657 1.00 0.00 H new ATOM 132 N GLU A 10 -8.191 10.481 0.025 1.00 0.00 N ATOM 133 CA GLU A 10 -7.143 11.009 0.929 1.00 0.00 C ATOM 134 C GLU A 10 -6.874 10.002 2.050 1.00 0.00 C ATOM 135 O GLU A 10 -5.834 10.020 2.678 1.00 0.00 O ATOM 136 CB GLU A 10 -7.619 12.332 1.519 1.00 0.00 C ATOM 137 CG GLU A 10 -6.491 12.956 2.332 1.00 0.00 C ATOM 138 CD GLU A 10 -5.358 13.368 1.390 1.00 0.00 C ATOM 139 OE1 GLU A 10 -5.638 13.605 0.227 1.00 0.00 O ATOM 140 OE2 GLU A 10 -4.230 13.433 1.848 1.00 0.00 O ATOM 0 H GLU A 10 -9.091 10.959 0.074 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.220 11.169 0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.926 13.009 0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.491 12.168 2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.859 13.824 2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.124 12.245 3.072 1.00 0.00 H new ATOM 147 N HIS A 11 -7.802 9.120 2.301 1.00 0.00 N ATOM 148 CA HIS A 11 -7.596 8.112 3.376 1.00 0.00 C ATOM 149 C HIS A 11 -7.135 6.801 2.744 1.00 0.00 C ATOM 150 O HIS A 11 -7.809 6.231 1.912 1.00 0.00 O ATOM 151 CB HIS A 11 -8.912 7.879 4.119 1.00 0.00 C ATOM 152 CG HIS A 11 -9.333 9.149 4.806 1.00 0.00 C ATOM 153 ND1 HIS A 11 -10.156 10.085 4.192 1.00 0.00 N ATOM 154 CD2 HIS A 11 -9.054 9.653 6.051 1.00 0.00 C ATOM 155 CE1 HIS A 11 -10.339 11.094 5.063 1.00 0.00 C ATOM 156 NE2 HIS A 11 -9.690 10.878 6.207 1.00 0.00 N ATOM 0 H HIS A 11 -8.693 9.055 1.808 1.00 0.00 H new ATOM 0 HA HIS A 11 -6.844 8.472 4.078 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.684 7.558 3.420 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -8.792 7.080 4.851 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -8.436 9.172 6.795 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -10.937 11.970 4.860 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -9.665 11.485 7.026 1.00 0.00 H new ATOM 165 N CYS A 12 -5.993 6.321 3.137 1.00 0.00 N ATOM 166 CA CYS A 12 -5.485 5.046 2.563 1.00 0.00 C ATOM 167 C CYS A 12 -5.488 3.972 3.646 1.00 0.00 C ATOM 168 O CYS A 12 -5.196 4.238 4.796 1.00 0.00 O ATOM 169 CB CYS A 12 -4.057 5.249 2.061 1.00 0.00 C ATOM 170 SG CYS A 12 -4.040 6.514 0.767 1.00 0.00 S ATOM 0 H CYS A 12 -5.387 6.756 3.832 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.123 4.738 1.735 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.411 5.550 2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.661 4.311 1.671 1.00 0.00 H new ATOM 175 N ALA A 13 -5.808 2.760 3.292 1.00 0.00 N ATOM 176 CA ALA A 13 -5.819 1.670 4.305 1.00 0.00 C ATOM 177 C ALA A 13 -5.165 0.423 3.715 1.00 0.00 C ATOM 178 O ALA A 13 -5.220 0.187 2.525 1.00 0.00 O ATOM 179 CB ALA A 13 -7.261 1.351 4.698 1.00 0.00 C ATOM 0 H ALA A 13 -6.062 2.477 2.346 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.265 1.989 5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.268 0.553 5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.729 2.241 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.816 1.032 3.816 1.00 0.00 H new ATOM 185 N ASP A 14 -4.557 -0.383 4.536 1.00 0.00 N ATOM 186 CA ASP A 14 -3.916 -1.619 4.015 1.00 0.00 C ATOM 187 C ASP A 14 -5.007 -2.632 3.670 1.00 0.00 C ATOM 188 O ASP A 14 -6.077 -2.621 4.245 1.00 0.00 O ATOM 189 CB ASP A 14 -2.985 -2.198 5.079 1.00 0.00 C ATOM 190 CG ASP A 14 -3.797 -2.580 6.318 1.00 0.00 C ATOM 191 OD1 ASP A 14 -5.006 -2.668 6.205 1.00 0.00 O ATOM 192 OD2 ASP A 14 -3.193 -2.774 7.360 1.00 0.00 O ATOM 0 H ASP A 14 -4.476 -0.240 5.543 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.334 -1.390 3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.468 -3.074 4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.220 -1.468 5.344 1.00 0.00 H new ATOM 197 N GLU A 15 -4.758 -3.501 2.731 1.00 0.00 N ATOM 198 CA GLU A 15 -5.804 -4.495 2.362 1.00 0.00 C ATOM 199 C GLU A 15 -5.996 -5.496 3.496 1.00 0.00 C ATOM 200 O GLU A 15 -5.051 -6.048 4.025 1.00 0.00 O ATOM 201 CB GLU A 15 -5.389 -5.249 1.095 1.00 0.00 C ATOM 202 CG GLU A 15 -6.303 -4.851 -0.070 1.00 0.00 C ATOM 203 CD GLU A 15 -6.756 -6.102 -0.828 1.00 0.00 C ATOM 204 OE1 GLU A 15 -6.102 -7.123 -0.699 1.00 0.00 O ATOM 205 OE2 GLU A 15 -7.753 -6.016 -1.527 1.00 0.00 O ATOM 0 H GLU A 15 -3.885 -3.567 2.208 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.739 -3.964 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.352 -5.022 0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.448 -6.324 1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.171 -4.309 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.774 -4.178 -0.745 1.00 0.00 H new ATOM 212 N LYS A 16 -7.222 -5.744 3.863 1.00 0.00 N ATOM 213 CA LYS A 16 -7.494 -6.720 4.950 1.00 0.00 C ATOM 214 C LYS A 16 -7.409 -8.130 4.375 1.00 0.00 C ATOM 215 O LYS A 16 -7.178 -9.090 5.083 1.00 0.00 O ATOM 216 CB LYS A 16 -8.901 -6.482 5.502 1.00 0.00 C ATOM 217 CG LYS A 16 -9.939 -6.852 4.442 1.00 0.00 C ATOM 218 CD LYS A 16 -11.329 -6.488 4.958 1.00 0.00 C ATOM 219 CE LYS A 16 -12.389 -7.190 4.109 1.00 0.00 C ATOM 220 NZ LYS A 16 -12.368 -6.634 2.726 1.00 0.00 N ATOM 0 H LYS A 16 -8.050 -5.310 3.454 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.765 -6.600 5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.056 -7.079 6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.017 -5.437 5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.732 -6.323 3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.887 -7.918 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.430 -6.784 6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.472 -5.408 4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.198 -8.263 4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.375 -7.052 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.865 -7.283 2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.841 -5.708 2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.383 -6.522 2.412 1.00 0.00 H new ATOM 234 N ASN A 17 -7.608 -8.259 3.093 1.00 0.00 N ATOM 235 CA ASN A 17 -7.555 -9.605 2.459 1.00 0.00 C ATOM 236 C ASN A 17 -6.130 -9.909 1.991 1.00 0.00 C ATOM 237 O ASN A 17 -5.815 -11.022 1.620 1.00 0.00 O ATOM 238 CB ASN A 17 -8.514 -9.615 1.270 1.00 0.00 C ATOM 239 CG ASN A 17 -9.922 -9.297 1.774 1.00 0.00 C ATOM 240 OD1 ASN A 17 -10.393 -9.908 2.712 1.00 0.00 O ATOM 241 ND2 ASN A 17 -10.611 -8.348 1.204 1.00 0.00 N ATOM 0 H ASN A 17 -7.806 -7.488 2.455 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.848 -10.369 3.179 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.203 -8.880 0.528 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.499 -10.589 0.780 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.544 -8.120 1.546 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.217 -7.834 0.416 1.00 0.00 H new ATOM 248 N PHE A 18 -5.264 -8.933 2.019 1.00 0.00 N ATOM 249 CA PHE A 18 -3.857 -9.172 1.591 1.00 0.00 C ATOM 250 C PHE A 18 -2.960 -9.143 2.825 1.00 0.00 C ATOM 251 O PHE A 18 -3.023 -8.231 3.625 1.00 0.00 O ATOM 252 CB PHE A 18 -3.422 -8.077 0.615 1.00 0.00 C ATOM 253 CG PHE A 18 -2.038 -8.376 0.088 1.00 0.00 C ATOM 254 CD1 PHE A 18 -1.878 -9.136 -1.078 1.00 0.00 C ATOM 255 CD2 PHE A 18 -0.915 -7.881 0.759 1.00 0.00 C ATOM 256 CE1 PHE A 18 -0.595 -9.401 -1.570 1.00 0.00 C ATOM 257 CE2 PHE A 18 0.369 -8.143 0.267 1.00 0.00 C ATOM 258 CZ PHE A 18 0.529 -8.903 -0.897 1.00 0.00 C ATOM 0 H PHE A 18 -5.470 -7.980 2.320 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.779 -10.140 1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.129 -8.013 -0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.428 -7.109 1.115 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.745 -9.517 -1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.039 -7.296 1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.471 -9.989 -2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.235 -7.759 0.785 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.519 -9.106 -1.277 1.00 0.00 H new ATOM 268 N ASP A 19 -2.128 -10.131 2.994 1.00 0.00 N ATOM 269 CA ASP A 19 -1.239 -10.149 4.186 1.00 0.00 C ATOM 270 C ASP A 19 -0.091 -9.164 3.979 1.00 0.00 C ATOM 271 O ASP A 19 0.985 -9.526 3.546 1.00 0.00 O ATOM 272 CB ASP A 19 -0.679 -11.556 4.382 1.00 0.00 C ATOM 273 CG ASP A 19 -1.831 -12.537 4.597 1.00 0.00 C ATOM 274 OD1 ASP A 19 -2.899 -12.091 4.982 1.00 0.00 O ATOM 275 OD2 ASP A 19 -1.628 -13.719 4.369 1.00 0.00 O ATOM 0 H ASP A 19 -2.026 -10.924 2.361 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.808 -9.860 5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.094 -11.851 3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.006 -11.575 5.239 1.00 0.00 H new ATOM 280 N CYS A 20 -0.315 -7.921 4.291 1.00 0.00 N ATOM 281 CA CYS A 20 0.756 -6.903 4.123 1.00 0.00 C ATOM 282 C CYS A 20 1.871 -7.185 5.127 1.00 0.00 C ATOM 283 O CYS A 20 3.037 -6.984 4.852 1.00 0.00 O ATOM 284 CB CYS A 20 0.161 -5.519 4.377 1.00 0.00 C ATOM 285 SG CYS A 20 -1.324 -5.325 3.362 1.00 0.00 S ATOM 0 H CYS A 20 -1.198 -7.564 4.657 1.00 0.00 H new ATOM 0 HA CYS A 20 1.165 -6.943 3.113 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.086 -5.403 5.432 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.889 -4.745 4.132 1.00 0.00 H new ATOM 290 N ARG A 21 1.517 -7.661 6.285 1.00 0.00 N ATOM 291 CA ARG A 21 2.549 -7.973 7.309 1.00 0.00 C ATOM 292 C ARG A 21 3.523 -8.993 6.721 1.00 0.00 C ATOM 293 O ARG A 21 4.725 -8.863 6.831 1.00 0.00 O ATOM 294 CB ARG A 21 1.847 -8.570 8.533 1.00 0.00 C ATOM 295 CG ARG A 21 2.763 -8.504 9.757 1.00 0.00 C ATOM 296 CD ARG A 21 3.818 -9.610 9.682 1.00 0.00 C ATOM 297 NE ARG A 21 4.474 -9.749 11.010 1.00 0.00 N ATOM 298 CZ ARG A 21 5.333 -8.852 11.407 1.00 0.00 C ATOM 299 NH1 ARG A 21 5.623 -7.842 10.635 1.00 0.00 N ATOM 300 NH2 ARG A 21 5.900 -8.968 12.577 1.00 0.00 N ATOM 0 H ARG A 21 0.555 -7.848 6.568 1.00 0.00 H new ATOM 0 HA ARG A 21 3.094 -7.075 7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.924 -8.026 8.732 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.571 -9.605 8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.249 -7.529 9.806 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.175 -8.613 10.668 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.354 -10.553 9.391 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.560 -9.371 8.920 1.00 0.00 H new ATOM 0 HE ARG A 21 4.252 -10.544 11.609 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.178 -7.754 9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.295 -7.140 10.945 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.671 -9.759 13.179 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.572 -8.268 12.890 1.00 0.00 H new ATOM 314 N ARG A 22 3.004 -10.005 6.080 1.00 0.00 N ATOM 315 CA ARG A 22 3.888 -11.034 5.468 1.00 0.00 C ATOM 316 C ARG A 22 4.690 -10.411 4.327 1.00 0.00 C ATOM 317 O ARG A 22 5.883 -10.603 4.212 1.00 0.00 O ATOM 318 CB ARG A 22 3.026 -12.175 4.923 1.00 0.00 C ATOM 319 CG ARG A 22 3.692 -12.765 3.680 1.00 0.00 C ATOM 320 CD ARG A 22 3.008 -14.078 3.301 1.00 0.00 C ATOM 321 NE ARG A 22 3.652 -14.633 2.077 1.00 0.00 N ATOM 322 CZ ARG A 22 3.455 -14.064 0.919 1.00 0.00 C ATOM 323 NH1 ARG A 22 2.687 -13.013 0.827 1.00 0.00 N ATOM 324 NH2 ARG A 22 4.028 -14.549 -0.148 1.00 0.00 N ATOM 0 H ARG A 22 2.004 -10.162 5.954 1.00 0.00 H new ATOM 0 HA ARG A 22 4.576 -11.419 6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.901 -12.946 5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.030 -11.807 4.676 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.628 -12.059 2.852 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.751 -12.938 3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.085 -14.791 4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.946 -13.910 3.123 1.00 0.00 H new ATOM 0 HE ARG A 22 4.247 -15.458 2.144 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.239 -12.634 1.661 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.535 -12.570 -0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.628 -15.371 -0.076 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.876 -14.107 -1.054 1.00 0.00 H new ATOM 338 N SER A 23 4.043 -9.662 3.481 1.00 0.00 N ATOM 339 CA SER A 23 4.766 -9.026 2.351 1.00 0.00 C ATOM 340 C SER A 23 5.720 -7.955 2.891 1.00 0.00 C ATOM 341 O SER A 23 6.786 -7.733 2.353 1.00 0.00 O ATOM 342 CB SER A 23 3.752 -8.387 1.401 1.00 0.00 C ATOM 343 OG SER A 23 3.151 -7.269 2.039 1.00 0.00 O ATOM 0 H SER A 23 3.043 -9.463 3.525 1.00 0.00 H new ATOM 0 HA SER A 23 5.343 -9.778 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.246 -8.073 0.481 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.990 -9.114 1.122 1.00 0.00 H new ATOM 0 HG SER A 23 3.192 -6.491 1.444 1.00 0.00 H new ATOM 349 N LEU A 24 5.343 -7.286 3.947 1.00 0.00 N ATOM 350 CA LEU A 24 6.231 -6.226 4.506 1.00 0.00 C ATOM 351 C LEU A 24 7.520 -6.842 5.061 1.00 0.00 C ATOM 352 O LEU A 24 8.608 -6.393 4.763 1.00 0.00 O ATOM 353 CB LEU A 24 5.507 -5.490 5.636 1.00 0.00 C ATOM 354 CG LEU A 24 6.446 -4.433 6.231 1.00 0.00 C ATOM 355 CD1 LEU A 24 6.582 -3.262 5.261 1.00 0.00 C ATOM 356 CD2 LEU A 24 5.884 -3.930 7.560 1.00 0.00 C ATOM 0 H LEU A 24 4.464 -7.426 4.445 1.00 0.00 H new ATOM 0 HA LEU A 24 6.482 -5.529 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.601 -5.017 5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.199 -6.196 6.407 1.00 0.00 H new ATOM 0 HG LEU A 24 7.425 -4.881 6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.250 -2.513 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.992 -3.618 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.602 -2.818 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.555 -3.180 7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.902 -3.487 7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.794 -4.764 8.256 1.00 0.00 H new ATOM 368 N ARG A 25 7.409 -7.861 5.872 1.00 0.00 N ATOM 369 CA ARG A 25 8.633 -8.487 6.448 1.00 0.00 C ATOM 370 C ARG A 25 9.429 -9.160 5.331 1.00 0.00 C ATOM 371 O ARG A 25 10.613 -9.408 5.456 1.00 0.00 O ATOM 372 CB ARG A 25 8.236 -9.521 7.505 1.00 0.00 C ATOM 373 CG ARG A 25 7.503 -10.685 6.836 1.00 0.00 C ATOM 374 CD ARG A 25 6.897 -11.593 7.908 1.00 0.00 C ATOM 375 NE ARG A 25 6.326 -12.814 7.266 1.00 0.00 N ATOM 376 CZ ARG A 25 5.280 -13.398 7.786 1.00 0.00 C ATOM 377 NH1 ARG A 25 4.733 -12.919 8.870 1.00 0.00 N ATOM 378 NH2 ARG A 25 4.779 -14.464 7.223 1.00 0.00 N ATOM 0 H ARG A 25 6.527 -8.285 6.159 1.00 0.00 H new ATOM 0 HA ARG A 25 9.249 -7.721 6.918 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.123 -9.886 8.022 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.596 -9.060 8.257 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.719 -10.306 6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.193 -11.252 6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.660 -11.875 8.634 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.119 -11.059 8.454 1.00 0.00 H new ATOM 0 HE ARG A 25 6.753 -13.192 6.421 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.122 -12.087 9.313 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.916 -13.377 9.274 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.205 -14.841 6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.962 -14.919 7.630 1.00 0.00 H new ATOM 392 N ASN A 26 8.783 -9.454 4.239 1.00 0.00 N ATOM 393 CA ASN A 26 9.487 -10.105 3.102 1.00 0.00 C ATOM 394 C ASN A 26 10.214 -9.040 2.280 1.00 0.00 C ATOM 395 O ASN A 26 10.895 -9.337 1.319 1.00 0.00 O ATOM 396 CB ASN A 26 8.455 -10.811 2.223 1.00 0.00 C ATOM 397 CG ASN A 26 7.857 -11.991 2.986 1.00 0.00 C ATOM 398 OD1 ASN A 26 8.488 -12.541 3.868 1.00 0.00 O ATOM 399 ND2 ASN A 26 6.658 -12.407 2.685 1.00 0.00 N ATOM 0 H ASN A 26 7.792 -9.270 4.085 1.00 0.00 H new ATOM 0 HA ASN A 26 10.211 -10.828 3.477 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.668 -10.113 1.936 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.923 -11.159 1.302 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.250 -13.194 3.190 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.129 -11.946 1.945 1.00 0.00 H new ATOM 406 N GLY A 27 10.071 -7.798 2.654 1.00 0.00 N ATOM 407 CA GLY A 27 10.748 -6.706 1.900 1.00 0.00 C ATOM 408 C GLY A 27 9.922 -6.353 0.662 1.00 0.00 C ATOM 409 O GLY A 27 10.421 -5.795 -0.294 1.00 0.00 O ATOM 0 H GLY A 27 9.513 -7.492 3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.864 -5.828 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.749 -7.020 1.605 1.00 0.00 H new ATOM 413 N ASP A 28 8.658 -6.677 0.674 1.00 0.00 N ATOM 414 CA ASP A 28 7.793 -6.364 -0.497 1.00 0.00 C ATOM 415 C ASP A 28 7.828 -4.859 -0.766 1.00 0.00 C ATOM 416 O ASP A 28 7.874 -4.420 -1.898 1.00 0.00 O ATOM 417 CB ASP A 28 6.363 -6.801 -0.187 1.00 0.00 C ATOM 418 CG ASP A 28 5.501 -6.665 -1.440 1.00 0.00 C ATOM 419 OD1 ASP A 28 5.517 -5.601 -2.031 1.00 0.00 O ATOM 420 OD2 ASP A 28 4.833 -7.626 -1.785 1.00 0.00 O ATOM 0 H ASP A 28 8.186 -7.146 1.447 1.00 0.00 H new ATOM 0 HA ASP A 28 8.154 -6.893 -1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.355 -7.834 0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.952 -6.191 0.617 1.00 0.00 H new ATOM 425 N CYS A 29 7.821 -4.067 0.270 1.00 0.00 N ATOM 426 CA CYS A 29 7.871 -2.592 0.081 1.00 0.00 C ATOM 427 C CYS A 29 9.210 -2.231 -0.561 1.00 0.00 C ATOM 428 O CYS A 29 9.369 -1.186 -1.159 1.00 0.00 O ATOM 429 CB CYS A 29 7.768 -1.902 1.443 1.00 0.00 C ATOM 430 SG CYS A 29 6.352 -2.562 2.354 1.00 0.00 S ATOM 0 H CYS A 29 7.783 -4.379 1.240 1.00 0.00 H new ATOM 0 HA CYS A 29 7.046 -2.268 -0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.684 -2.060 2.012 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.657 -0.826 1.309 1.00 0.00 H new ATOM 435 N ASP A 30 10.177 -3.096 -0.425 1.00 0.00 N ATOM 436 CA ASP A 30 11.521 -2.823 -1.007 1.00 0.00 C ATOM 437 C ASP A 30 11.655 -3.512 -2.367 1.00 0.00 C ATOM 438 O ASP A 30 12.668 -3.400 -3.029 1.00 0.00 O ATOM 439 CB ASP A 30 12.595 -3.362 -0.061 1.00 0.00 C ATOM 440 CG ASP A 30 12.618 -2.523 1.218 1.00 0.00 C ATOM 441 OD1 ASP A 30 12.040 -1.449 1.207 1.00 0.00 O ATOM 442 OD2 ASP A 30 13.215 -2.966 2.184 1.00 0.00 O ATOM 0 H ASP A 30 10.093 -3.985 0.067 1.00 0.00 H new ATOM 0 HA ASP A 30 11.643 -1.748 -1.138 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.392 -4.405 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.571 -3.331 -0.546 1.00 0.00 H new ATOM 447 N ASN A 31 10.646 -4.220 -2.794 1.00 0.00 N ATOM 448 CA ASN A 31 10.732 -4.907 -4.111 1.00 0.00 C ATOM 449 C ASN A 31 10.083 -4.033 -5.179 1.00 0.00 C ATOM 450 O ASN A 31 8.893 -3.793 -5.163 1.00 0.00 O ATOM 451 CB ASN A 31 9.994 -6.242 -4.032 1.00 0.00 C ATOM 452 CG ASN A 31 10.298 -7.080 -5.273 1.00 0.00 C ATOM 453 OD1 ASN A 31 10.857 -6.589 -6.234 1.00 0.00 O ATOM 454 ND2 ASN A 31 9.945 -8.336 -5.291 1.00 0.00 N ATOM 0 H ASN A 31 9.769 -4.352 -2.289 1.00 0.00 H new ATOM 0 HA ASN A 31 11.777 -5.081 -4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.297 -6.782 -3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.921 -6.070 -3.953 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.138 -8.908 -6.113 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.476 -8.746 -4.483 1.00 0.00 H new ATOM 461 N ASP A 32 10.856 -3.549 -6.108 1.00 0.00 N ATOM 462 CA ASP A 32 10.283 -2.689 -7.178 1.00 0.00 C ATOM 463 C ASP A 32 9.170 -3.448 -7.891 1.00 0.00 C ATOM 464 O ASP A 32 8.191 -2.876 -8.327 1.00 0.00 O ATOM 465 CB ASP A 32 11.376 -2.332 -8.185 1.00 0.00 C ATOM 466 CG ASP A 32 12.410 -1.424 -7.519 1.00 0.00 C ATOM 467 OD1 ASP A 32 12.124 -0.921 -6.447 1.00 0.00 O ATOM 468 OD2 ASP A 32 13.472 -1.248 -8.092 1.00 0.00 O ATOM 0 H ASP A 32 11.861 -3.712 -6.173 1.00 0.00 H new ATOM 0 HA ASP A 32 9.882 -1.776 -6.737 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.856 -3.239 -8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.939 -1.830 -9.049 1.00 0.00 H new ATOM 473 N ASP A 33 9.318 -4.733 -8.020 1.00 0.00 N ATOM 474 CA ASP A 33 8.281 -5.541 -8.712 1.00 0.00 C ATOM 475 C ASP A 33 6.991 -5.553 -7.889 1.00 0.00 C ATOM 476 O ASP A 33 5.922 -5.804 -8.406 1.00 0.00 O ATOM 477 CB ASP A 33 8.788 -6.972 -8.895 1.00 0.00 C ATOM 478 CG ASP A 33 7.781 -7.765 -9.728 1.00 0.00 C ATOM 479 OD1 ASP A 33 6.739 -7.214 -10.045 1.00 0.00 O ATOM 480 OD2 ASP A 33 8.069 -8.911 -10.036 1.00 0.00 O ATOM 0 H ASP A 33 10.118 -5.262 -7.674 1.00 0.00 H new ATOM 0 HA ASP A 33 8.075 -5.100 -9.687 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.760 -6.965 -9.389 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.928 -7.447 -7.924 1.00 0.00 H new ATOM 485 N LYS A 34 7.081 -5.302 -6.608 1.00 0.00 N ATOM 486 CA LYS A 34 5.850 -5.320 -5.769 1.00 0.00 C ATOM 487 C LYS A 34 5.546 -3.910 -5.265 1.00 0.00 C ATOM 488 O LYS A 34 4.575 -3.686 -4.570 1.00 0.00 O ATOM 489 CB LYS A 34 6.068 -6.242 -4.570 1.00 0.00 C ATOM 490 CG LYS A 34 6.685 -7.562 -5.041 1.00 0.00 C ATOM 491 CD LYS A 34 6.644 -8.578 -3.897 1.00 0.00 C ATOM 492 CE LYS A 34 7.363 -9.862 -4.319 1.00 0.00 C ATOM 493 NZ LYS A 34 7.472 -9.909 -5.806 1.00 0.00 N ATOM 0 H LYS A 34 7.946 -5.087 -6.112 1.00 0.00 H new ATOM 0 HA LYS A 34 5.014 -5.680 -6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.723 -5.761 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.120 -6.431 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.138 -7.945 -5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.714 -7.401 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.118 -8.159 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.610 -8.799 -3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.356 -9.899 -3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.816 -10.733 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.990 -10.765 -6.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.520 -9.927 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.982 -9.068 -6.143 1.00 0.00 H new ATOM 507 N LEU A 35 6.367 -2.956 -5.601 1.00 0.00 N ATOM 508 CA LEU A 35 6.116 -1.566 -5.132 1.00 0.00 C ATOM 509 C LEU A 35 4.700 -1.144 -5.526 1.00 0.00 C ATOM 510 O LEU A 35 3.964 -0.599 -4.729 1.00 0.00 O ATOM 511 CB LEU A 35 7.143 -0.621 -5.766 1.00 0.00 C ATOM 512 CG LEU A 35 8.392 -0.544 -4.882 1.00 0.00 C ATOM 513 CD1 LEU A 35 9.442 0.343 -5.554 1.00 0.00 C ATOM 514 CD2 LEU A 35 8.022 0.064 -3.529 1.00 0.00 C ATOM 0 H LEU A 35 7.199 -3.078 -6.179 1.00 0.00 H new ATOM 0 HA LEU A 35 6.212 -1.520 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.412 -0.976 -6.761 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.711 0.372 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 35 8.793 -1.547 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.330 0.397 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.709 -0.080 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.036 1.345 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.910 0.119 -2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.620 1.066 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.271 -0.559 -3.043 1.00 0.00 H new ATOM 526 N LEU A 36 4.308 -1.401 -6.743 1.00 0.00 N ATOM 527 CA LEU A 36 2.933 -1.025 -7.174 1.00 0.00 C ATOM 528 C LEU A 36 1.915 -1.874 -6.414 1.00 0.00 C ATOM 529 O LEU A 36 0.853 -1.410 -6.046 1.00 0.00 O ATOM 530 CB LEU A 36 2.769 -1.267 -8.674 1.00 0.00 C ATOM 531 CG LEU A 36 1.404 -0.742 -9.129 1.00 0.00 C ATOM 532 CD1 LEU A 36 1.548 -0.057 -10.486 1.00 0.00 C ATOM 533 CD2 LEU A 36 0.420 -1.906 -9.257 1.00 0.00 C ATOM 0 H LEU A 36 4.879 -1.854 -7.456 1.00 0.00 H new ATOM 0 HA LEU A 36 2.769 0.031 -6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.565 -0.765 -9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.853 -2.332 -8.893 1.00 0.00 H new ATOM 0 HG LEU A 36 1.031 -0.029 -8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.577 0.317 -10.810 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.247 0.775 -10.401 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.923 -0.773 -11.217 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.550 -1.529 -9.581 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.795 -2.620 -9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.313 -2.400 -8.291 1.00 0.00 H new ATOM 545 N GLU A 37 2.227 -3.118 -6.177 1.00 0.00 N ATOM 546 CA GLU A 37 1.272 -3.995 -5.447 1.00 0.00 C ATOM 547 C GLU A 37 1.046 -3.437 -4.046 1.00 0.00 C ATOM 548 O GLU A 37 -0.053 -3.452 -3.533 1.00 0.00 O ATOM 549 CB GLU A 37 1.856 -5.402 -5.328 1.00 0.00 C ATOM 550 CG GLU A 37 2.104 -5.976 -6.722 1.00 0.00 C ATOM 551 CD GLU A 37 2.559 -7.431 -6.594 1.00 0.00 C ATOM 552 OE1 GLU A 37 2.822 -7.852 -5.477 1.00 0.00 O ATOM 553 OE2 GLU A 37 2.636 -8.099 -7.611 1.00 0.00 O ATOM 0 H GLU A 37 3.101 -3.564 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 37 0.329 -4.032 -5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.789 -5.373 -4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.171 -6.045 -4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.194 -5.918 -7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.863 -5.390 -7.240 1.00 0.00 H new ATOM 560 N MET A 38 2.083 -2.949 -3.425 1.00 0.00 N ATOM 561 CA MET A 38 1.933 -2.390 -2.056 1.00 0.00 C ATOM 562 C MET A 38 1.167 -1.079 -2.126 1.00 0.00 C ATOM 563 O MET A 38 0.218 -0.859 -1.402 1.00 0.00 O ATOM 564 CB MET A 38 3.314 -2.123 -1.472 1.00 0.00 C ATOM 565 CG MET A 38 4.028 -3.450 -1.227 1.00 0.00 C ATOM 566 SD MET A 38 3.140 -4.381 0.046 1.00 0.00 S ATOM 567 CE MET A 38 2.326 -5.557 -1.065 1.00 0.00 C ATOM 0 H MET A 38 3.028 -2.914 -3.808 1.00 0.00 H new ATOM 0 HA MET A 38 1.393 -3.100 -1.430 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.896 -1.505 -2.156 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.225 -1.568 -0.538 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.074 -4.027 -2.150 1.00 0.00 H new ATOM 0 HG3 MET A 38 5.056 -3.270 -0.912 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.245 -5.428 -1.003 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.655 -5.378 -2.089 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.587 -6.574 -0.773 1.00 0.00 H new ATOM 577 N GLY A 39 1.566 -0.208 -3.006 1.00 0.00 N ATOM 578 CA GLY A 39 0.854 1.086 -3.133 1.00 0.00 C ATOM 579 C GLY A 39 -0.627 0.800 -3.363 1.00 0.00 C ATOM 580 O GLY A 39 -1.486 1.584 -3.015 1.00 0.00 O ATOM 0 H GLY A 39 2.353 -0.337 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.989 1.683 -2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.262 1.664 -3.962 1.00 0.00 H new ATOM 584 N TYR A 40 -0.926 -0.326 -3.951 1.00 0.00 N ATOM 585 CA TYR A 40 -2.347 -0.683 -4.215 1.00 0.00 C ATOM 586 C TYR A 40 -2.898 -1.554 -3.082 1.00 0.00 C ATOM 587 O TYR A 40 -3.907 -1.240 -2.483 1.00 0.00 O ATOM 588 CB TYR A 40 -2.439 -1.459 -5.530 1.00 0.00 C ATOM 589 CG TYR A 40 -3.850 -1.961 -5.712 1.00 0.00 C ATOM 590 CD1 TYR A 40 -4.225 -3.191 -5.162 1.00 0.00 C ATOM 591 CD2 TYR A 40 -4.785 -1.199 -6.426 1.00 0.00 C ATOM 592 CE1 TYR A 40 -5.533 -3.662 -5.323 1.00 0.00 C ATOM 593 CE2 TYR A 40 -6.093 -1.671 -6.589 1.00 0.00 C ATOM 594 CZ TYR A 40 -6.467 -2.902 -6.036 1.00 0.00 C ATOM 595 OH TYR A 40 -7.756 -3.368 -6.194 1.00 0.00 O ATOM 0 H TYR A 40 -0.243 -1.017 -4.261 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.933 0.234 -4.278 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.158 -0.817 -6.365 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.741 -2.296 -5.522 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.504 -3.778 -4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.497 -0.249 -6.850 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.821 -4.612 -4.897 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.813 -1.086 -7.141 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.277 -2.720 -6.713 1.00 0.00 H new ATOM 605 N TYR A 41 -2.262 -2.658 -2.799 1.00 0.00 N ATOM 606 CA TYR A 41 -2.769 -3.553 -1.725 1.00 0.00 C ATOM 607 C TYR A 41 -2.413 -3.004 -0.344 1.00 0.00 C ATOM 608 O TYR A 41 -3.233 -2.998 0.553 1.00 0.00 O ATOM 609 CB TYR A 41 -2.160 -4.948 -1.882 1.00 0.00 C ATOM 610 CG TYR A 41 -2.739 -5.626 -3.106 1.00 0.00 C ATOM 611 CD1 TYR A 41 -4.045 -6.129 -3.070 1.00 0.00 C ATOM 612 CD2 TYR A 41 -1.969 -5.760 -4.268 1.00 0.00 C ATOM 613 CE1 TYR A 41 -4.582 -6.764 -4.197 1.00 0.00 C ATOM 614 CE2 TYR A 41 -2.506 -6.395 -5.395 1.00 0.00 C ATOM 615 CZ TYR A 41 -3.813 -6.897 -5.360 1.00 0.00 C ATOM 616 OH TYR A 41 -4.342 -7.528 -6.469 1.00 0.00 O ATOM 0 H TYR A 41 -1.413 -2.977 -3.266 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.854 -3.608 -1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.077 -4.873 -1.975 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.363 -5.546 -0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.638 -6.027 -2.173 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.961 -5.374 -4.295 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.590 -7.151 -4.169 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.912 -6.498 -6.291 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.678 -7.534 -7.190 1.00 0.00 H new ATOM 626 N CYS A 42 -1.199 -2.564 -0.145 1.00 0.00 N ATOM 627 CA CYS A 42 -0.827 -2.053 1.204 1.00 0.00 C ATOM 628 C CYS A 42 -0.059 -0.737 1.110 1.00 0.00 C ATOM 629 O CYS A 42 1.127 -0.685 1.391 1.00 0.00 O ATOM 630 CB CYS A 42 0.045 -3.090 1.903 1.00 0.00 C ATOM 631 SG CYS A 42 -0.606 -4.742 1.569 1.00 0.00 S ATOM 0 H CYS A 42 -0.460 -2.536 -0.847 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.742 -1.874 1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.074 -3.014 1.550 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.062 -2.904 2.977 1.00 0.00 H new ATOM 636 N PRO A 43 -0.727 0.324 0.750 1.00 0.00 N ATOM 637 CA PRO A 43 -0.094 1.668 0.647 1.00 0.00 C ATOM 638 C PRO A 43 0.330 2.193 2.020 1.00 0.00 C ATOM 639 O PRO A 43 1.312 2.893 2.156 1.00 0.00 O ATOM 640 CB PRO A 43 -1.195 2.551 0.058 1.00 0.00 C ATOM 641 CG PRO A 43 -2.470 1.867 0.416 1.00 0.00 C ATOM 642 CD PRO A 43 -2.158 0.371 0.405 1.00 0.00 C ATOM 0 HA PRO A 43 0.811 1.649 0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.157 3.558 0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.088 2.647 -1.023 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.822 2.186 1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.257 2.108 -0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.765 -0.172 1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.352 -0.074 -0.571 1.00 0.00 H new ATOM 650 N VAL A 44 -0.416 1.860 3.042 1.00 0.00 N ATOM 651 CA VAL A 44 -0.067 2.338 4.408 1.00 0.00 C ATOM 652 C VAL A 44 1.043 1.465 5.004 1.00 0.00 C ATOM 653 O VAL A 44 1.990 1.959 5.581 1.00 0.00 O ATOM 654 CB VAL A 44 -1.300 2.263 5.314 1.00 0.00 C ATOM 655 CG1 VAL A 44 -0.899 2.638 6.740 1.00 0.00 C ATOM 656 CG2 VAL A 44 -2.373 3.236 4.820 1.00 0.00 C ATOM 0 H VAL A 44 -1.251 1.277 2.987 1.00 0.00 H new ATOM 0 HA VAL A 44 0.279 3.369 4.339 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.699 1.249 5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.773 2.586 7.389 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.139 1.944 7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.499 3.652 6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.246 3.176 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.978 4.252 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.660 2.974 3.802 1.00 0.00 H new ATOM 666 N THR A 45 0.924 0.169 4.883 1.00 0.00 N ATOM 667 CA THR A 45 1.961 -0.735 5.462 1.00 0.00 C ATOM 668 C THR A 45 3.336 -0.412 4.880 1.00 0.00 C ATOM 669 O THR A 45 4.333 -0.457 5.572 1.00 0.00 O ATOM 670 CB THR A 45 1.616 -2.192 5.154 1.00 0.00 C ATOM 671 OG1 THR A 45 0.295 -2.472 5.600 1.00 0.00 O ATOM 672 CG2 THR A 45 2.604 -3.109 5.873 1.00 0.00 C ATOM 0 H THR A 45 0.154 -0.302 4.408 1.00 0.00 H new ATOM 0 HA THR A 45 1.984 -0.584 6.541 1.00 0.00 H new ATOM 0 HB THR A 45 1.678 -2.362 4.079 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.298 -3.290 6.140 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.360 -4.149 5.655 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.616 -2.894 5.530 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.542 -2.939 6.948 1.00 0.00 H new ATOM 680 N CYS A 46 3.411 -0.102 3.614 1.00 0.00 N ATOM 681 CA CYS A 46 4.743 0.197 3.018 1.00 0.00 C ATOM 682 C CYS A 46 5.102 1.674 3.221 1.00 0.00 C ATOM 683 O CYS A 46 6.233 2.075 3.030 1.00 0.00 O ATOM 684 CB CYS A 46 4.726 -0.140 1.528 1.00 0.00 C ATOM 685 SG CYS A 46 4.734 -1.938 1.319 1.00 0.00 S ATOM 0 H CYS A 46 2.619 -0.043 2.974 1.00 0.00 H new ATOM 0 HA CYS A 46 5.498 -0.412 3.516 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.841 0.288 1.057 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.593 0.299 1.035 1.00 0.00 H new ATOM 690 N GLY A 47 4.167 2.483 3.640 1.00 0.00 N ATOM 691 CA GLY A 47 4.486 3.921 3.889 1.00 0.00 C ATOM 692 C GLY A 47 4.374 4.766 2.614 1.00 0.00 C ATOM 693 O GLY A 47 5.118 5.709 2.431 1.00 0.00 O ATOM 0 H GLY A 47 3.200 2.214 3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.809 4.316 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.496 4.004 4.291 1.00 0.00 H new ATOM 697 N PHE A 48 3.441 4.478 1.749 1.00 0.00 N ATOM 698 CA PHE A 48 3.296 5.324 0.529 1.00 0.00 C ATOM 699 C PHE A 48 2.114 6.253 0.749 1.00 0.00 C ATOM 700 O PHE A 48 1.925 7.229 0.052 1.00 0.00 O ATOM 701 CB PHE A 48 3.020 4.454 -0.696 1.00 0.00 C ATOM 702 CG PHE A 48 4.152 3.485 -0.896 1.00 0.00 C ATOM 703 CD1 PHE A 48 5.454 3.955 -1.103 1.00 0.00 C ATOM 704 CD2 PHE A 48 3.899 2.112 -0.877 1.00 0.00 C ATOM 705 CE1 PHE A 48 6.502 3.048 -1.290 1.00 0.00 C ATOM 706 CE2 PHE A 48 4.943 1.206 -1.064 1.00 0.00 C ATOM 707 CZ PHE A 48 6.246 1.672 -1.270 1.00 0.00 C ATOM 0 H PHE A 48 2.781 3.705 1.831 1.00 0.00 H new ATOM 0 HA PHE A 48 4.215 5.884 0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.084 3.912 -0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.905 5.081 -1.580 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.649 5.017 -1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.894 1.751 -0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.507 3.409 -1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.745 0.144 -1.050 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.054 0.970 -1.414 1.00 0.00 H new ATOM 717 N CYS A 49 1.320 5.947 1.731 1.00 0.00 N ATOM 718 CA CYS A 49 0.143 6.793 2.030 1.00 0.00 C ATOM 719 C CYS A 49 -0.074 6.837 3.540 1.00 0.00 C ATOM 720 O CYS A 49 0.607 6.173 4.296 1.00 0.00 O ATOM 721 CB CYS A 49 -1.090 6.200 1.352 1.00 0.00 C ATOM 722 SG CYS A 49 -2.308 7.506 1.065 1.00 0.00 S ATOM 0 H CYS A 49 1.439 5.140 2.343 1.00 0.00 H new ATOM 0 HA CYS A 49 0.311 7.804 1.657 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.810 5.735 0.407 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.521 5.417 1.977 1.00 0.00 H new ATOM 727 N GLU A 50 -1.017 7.613 3.984 1.00 0.00 N ATOM 728 CA GLU A 50 -1.280 7.704 5.445 1.00 0.00 C ATOM 729 C GLU A 50 -2.495 6.844 5.791 1.00 0.00 C ATOM 730 O GLU A 50 -3.325 6.562 4.948 1.00 0.00 O ATOM 731 CB GLU A 50 -1.558 9.164 5.810 1.00 0.00 C ATOM 732 CG GLU A 50 -0.970 10.081 4.734 1.00 0.00 C ATOM 733 CD GLU A 50 -1.914 10.139 3.532 1.00 0.00 C ATOM 734 OE1 GLU A 50 -2.931 9.467 3.569 1.00 0.00 O ATOM 735 OE2 GLU A 50 -1.605 10.855 2.594 1.00 0.00 O ATOM 0 H GLU A 50 -1.620 8.191 3.398 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.415 7.347 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.632 9.330 5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.120 9.397 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.819 11.082 5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.008 9.712 4.423 1.00 0.00 H new ATOM 742 N PRO A 51 -2.604 6.428 7.026 1.00 0.00 N ATOM 743 CA PRO A 51 -3.743 5.589 7.491 1.00 0.00 C ATOM 744 C PRO A 51 -5.051 6.382 7.537 1.00 0.00 C ATOM 745 O PRO A 51 -5.971 5.932 8.197 1.00 0.00 O ATOM 746 CB PRO A 51 -3.335 5.151 8.898 1.00 0.00 C ATOM 747 CG PRO A 51 -2.330 6.153 9.360 1.00 0.00 C ATOM 748 CD PRO A 51 -1.652 6.715 8.110 1.00 0.00 C ATOM 749 OXT PRO A 51 -5.106 7.430 6.915 1.00 0.00 O ATOM 0 HA PRO A 51 -3.929 4.751 6.819 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.197 5.125 9.565 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.910 4.147 8.887 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.812 6.949 9.928 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.598 5.688 10.020 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.466 7.785 8.204 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.688 6.238 7.931 1.00 0.00 H new TER 757 PRO A 51