USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 621 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 42 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -150:sc= 0.97 (180deg=0.409) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.243 (180deg=0.00367) USER MOD Single : A 2 THR OG1 : rot -44:sc= 1.21 USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= 1.29 (180deg=1.12) USER MOD Single : A 12 MET CE :methyl -170:sc= -2.94! (180deg=-3.56!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0784 USER MOD Single : A 19 ASN : amide:sc= 1.13 K(o=1.1,f=-0.11) USER MOD Single : A 23 LYS NZ :NH3+ -111:sc= 0.0527 (180deg=-1.69!) USER MOD Single : A 26 ASN : amide:sc= 1.08 K(o=1.1,f=-0.00025) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.01 K(o=1,f=-0.3) USER MOD Single : A 37 ASN : amide:sc= -0.926 K(o=-0.93,f=-0.35) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 71:sc= 1.26 USER MOD Single : A 48 ASN : amide:sc= 1.03 K(o=1,f=-2.7) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.19) USER MOD Single : A 53 SER OG : rot 107:sc= 1.24 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0473 USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 1.11 (180deg=0.948) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -122:sc= 1.2 USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 1.2 (180deg=1.13) USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= -0.281 (180deg=-0.623) USER MOD Single : A 74 GLN : amide:sc= -0.0353 X(o=-0.035,f=-0.01) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.605 18.372 6.662 1.00 10.00 N ATOM 2 CA MET A 1 1.232 17.522 7.693 1.00 10.00 C ATOM 3 C MET A 1 1.184 16.103 7.148 1.00 10.00 C ATOM 4 O MET A 1 0.296 15.839 6.342 1.00 10.00 O ATOM 5 CB MET A 1 0.483 17.579 9.035 1.00 10.00 C ATOM 6 CG MET A 1 0.900 18.738 9.950 1.00 10.00 C ATOM 7 SD MET A 1 0.130 18.644 11.590 1.00 10.00 S ATOM 8 CE MET A 1 0.968 19.995 12.447 1.00 10.00 C ATOM 0 H1 MET A 1 0.011 19.092 7.120 1.00 10.00 H new ATOM 0 H2 MET A 1 1.345 18.840 6.101 1.00 10.00 H new ATOM 0 H3 MET A 1 0.017 17.784 6.038 1.00 10.00 H new ATOM 0 HA MET A 1 2.247 17.866 7.891 1.00 10.00 H new ATOM 0 HB2 MET A 1 -0.586 17.656 8.837 1.00 10.00 H new ATOM 0 HB3 MET A 1 0.642 16.640 9.565 1.00 10.00 H new ATOM 0 HG2 MET A 1 1.984 18.736 10.061 1.00 10.00 H new ATOM 0 HG3 MET A 1 0.629 19.683 9.479 1.00 10.00 H new ATOM 0 HE1 MET A 1 0.598 20.062 13.470 1.00 10.00 H new ATOM 0 HE2 MET A 1 2.042 19.807 12.460 1.00 10.00 H new ATOM 0 HE3 MET A 1 0.770 20.933 11.928 1.00 10.00 H new ATOM 20 N THR A 2 2.103 15.232 7.574 1.00 10.00 N ATOM 21 CA THR A 2 2.327 13.919 6.972 1.00 10.00 C ATOM 22 C THR A 2 2.661 14.067 5.480 1.00 10.00 C ATOM 23 O THR A 2 2.962 15.173 5.028 1.00 10.00 O ATOM 24 CB THR A 2 1.163 12.948 7.261 1.00 10.00 C ATOM 25 OG1 THR A 2 0.061 13.160 6.404 1.00 10.00 O ATOM 26 CG2 THR A 2 0.686 13.017 8.715 1.00 10.00 C ATOM 0 H THR A 2 2.722 15.425 8.361 1.00 10.00 H new ATOM 0 HA THR A 2 3.197 13.459 7.441 1.00 10.00 H new ATOM 0 HB THR A 2 1.570 11.954 7.074 1.00 10.00 H new ATOM 0 HG1 THR A 2 -0.114 14.121 6.328 1.00 10.00 H new ATOM 0 HG21 THR A 2 -0.134 12.314 8.863 1.00 10.00 H new ATOM 0 HG22 THR A 2 1.510 12.759 9.381 1.00 10.00 H new ATOM 0 HG23 THR A 2 0.342 14.027 8.938 1.00 10.00 H new ATOM 34 N GLU A 3 2.621 12.971 4.724 1.00 10.00 N ATOM 35 CA GLU A 3 2.776 12.938 3.294 1.00 10.00 C ATOM 36 C GLU A 3 1.693 11.964 2.833 1.00 10.00 C ATOM 37 O GLU A 3 1.606 10.862 3.379 1.00 10.00 O ATOM 38 CB GLU A 3 4.209 12.474 2.999 1.00 10.00 C ATOM 39 CG GLU A 3 4.336 11.632 1.730 1.00 10.00 C ATOM 40 CD GLU A 3 5.782 11.268 1.412 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.680 11.971 1.923 1.00 10.00 O ATOM 42 OE2 GLU A 3 5.972 10.272 0.678 1.00 10.00 O ATOM 0 H GLU A 3 2.472 12.044 5.123 1.00 10.00 H new ATOM 0 HA GLU A 3 2.655 13.889 2.775 1.00 10.00 H new ATOM 0 HB2 GLU A 3 4.853 13.349 2.909 1.00 10.00 H new ATOM 0 HB3 GLU A 3 4.575 11.894 3.846 1.00 10.00 H new ATOM 0 HG2 GLU A 3 3.752 10.719 1.844 1.00 10.00 H new ATOM 0 HG3 GLU A 3 3.910 12.180 0.890 1.00 10.00 H new ATOM 49 N LYS A 4 0.854 12.392 1.880 1.00 10.00 N ATOM 50 CA LYS A 4 -0.145 11.544 1.243 1.00 10.00 C ATOM 51 C LYS A 4 0.373 11.179 -0.146 1.00 10.00 C ATOM 52 O LYS A 4 0.398 12.008 -1.058 1.00 10.00 O ATOM 53 CB LYS A 4 -1.519 12.215 1.167 1.00 10.00 C ATOM 54 CG LYS A 4 -1.931 12.860 2.501 1.00 10.00 C ATOM 55 CD LYS A 4 -3.406 12.614 2.854 1.00 10.00 C ATOM 56 CE LYS A 4 -4.393 13.389 1.970 1.00 10.00 C ATOM 57 NZ LYS A 4 -4.502 14.807 2.372 1.00 10.00 N ATOM 0 H LYS A 4 0.855 13.350 1.530 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.292 10.646 1.843 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -1.506 12.976 0.387 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -2.266 11.476 0.878 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -1.301 12.466 3.299 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -1.749 13.934 2.451 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -3.617 11.548 2.770 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.571 12.890 3.895 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -4.071 13.331 0.930 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -5.375 12.920 2.026 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -5.316 15.242 1.893 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -4.634 14.867 3.402 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -3.633 15.311 2.105 1.00 10.00 H new ATOM 71 N ALA A 5 0.800 9.929 -0.261 1.00 10.00 N ATOM 72 CA ALA A 5 1.455 9.332 -1.413 1.00 10.00 C ATOM 73 C ALA A 5 0.473 8.363 -2.059 1.00 10.00 C ATOM 74 O ALA A 5 -0.461 7.925 -1.388 1.00 10.00 O ATOM 75 CB ALA A 5 2.700 8.597 -0.923 1.00 10.00 C ATOM 0 H ALA A 5 0.689 9.261 0.502 1.00 10.00 H new ATOM 0 HA ALA A 5 1.752 10.083 -2.145 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.210 8.140 -1.771 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.371 9.304 -0.434 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.409 7.822 -0.213 1.00 10.00 H new ATOM 81 N GLU A 6 0.648 8.029 -3.339 1.00 10.00 N ATOM 82 CA GLU A 6 -0.352 7.325 -4.105 1.00 10.00 C ATOM 83 C GLU A 6 0.423 6.316 -4.918 1.00 10.00 C ATOM 84 O GLU A 6 1.422 6.677 -5.545 1.00 10.00 O ATOM 85 CB GLU A 6 -1.101 8.316 -4.998 1.00 10.00 C ATOM 86 CG GLU A 6 -2.484 7.812 -5.421 1.00 10.00 C ATOM 87 CD GLU A 6 -3.216 8.817 -6.307 1.00 10.00 C ATOM 88 OE1 GLU A 6 -3.192 10.016 -5.960 1.00 10.00 O ATOM 89 OE2 GLU A 6 -3.768 8.367 -7.336 1.00 10.00 O ATOM 0 H GLU A 6 1.495 8.245 -3.865 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.103 6.835 -3.485 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.211 9.262 -4.469 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.505 8.517 -5.888 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.377 6.868 -5.956 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -3.083 7.609 -4.533 1.00 10.00 H new ATOM 96 N PHE A 7 -0.002 5.059 -4.848 1.00 10.00 N ATOM 97 CA PHE A 7 0.632 3.924 -5.474 1.00 10.00 C ATOM 98 C PHE A 7 -0.419 3.131 -6.230 1.00 10.00 C ATOM 99 O PHE A 7 -1.584 3.114 -5.841 1.00 10.00 O ATOM 100 CB PHE A 7 1.279 3.021 -4.433 1.00 10.00 C ATOM 101 CG PHE A 7 2.028 3.694 -3.303 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.859 4.797 -3.552 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.977 3.154 -2.009 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.520 5.446 -2.506 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.681 3.778 -0.970 1.00 10.00 C ATOM 106 CZ PHE A 7 3.407 4.957 -1.197 1.00 10.00 C ATOM 0 H PHE A 7 -0.839 4.801 -4.326 1.00 10.00 H new ATOM 0 HA PHE A 7 1.406 4.284 -6.152 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.500 2.396 -3.997 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.971 2.355 -4.947 1.00 10.00 H new ATOM 0 HD1 PHE A 7 2.989 5.149 -4.565 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.399 2.263 -1.815 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.117 6.323 -2.706 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.664 3.345 0.019 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.872 5.480 -0.375 1.00 10.00 H new ATOM 116 N ASP A 8 0.021 2.460 -7.287 1.00 10.00 N ATOM 117 CA ASP A 8 -0.797 1.824 -8.294 1.00 10.00 C ATOM 118 C ASP A 8 -0.523 0.334 -8.134 1.00 10.00 C ATOM 119 O ASP A 8 0.650 -0.046 -8.053 1.00 10.00 O ATOM 120 CB ASP A 8 -0.330 2.374 -9.648 1.00 10.00 C ATOM 121 CG ASP A 8 -1.445 2.527 -10.659 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.795 1.511 -11.284 1.00 10.00 O ATOM 123 OD2 ASP A 8 -1.890 3.686 -10.825 1.00 10.00 O ATOM 0 H ASP A 8 1.018 2.342 -7.468 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.868 2.007 -8.212 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.143 3.343 -9.493 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.431 1.710 -10.057 1.00 10.00 H new ATOM 128 N ILE A 9 -1.567 -0.481 -7.975 1.00 10.00 N ATOM 129 CA ILE A 9 -1.442 -1.911 -7.699 1.00 10.00 C ATOM 130 C ILE A 9 -1.885 -2.698 -8.932 1.00 10.00 C ATOM 131 O ILE A 9 -2.813 -2.278 -9.616 1.00 10.00 O ATOM 132 CB ILE A 9 -2.235 -2.336 -6.442 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.055 -1.395 -5.242 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.781 -3.715 -5.956 1.00 10.00 C ATOM 135 CD1 ILE A 9 -3.185 -0.380 -5.180 1.00 10.00 C ATOM 0 H ILE A 9 -2.534 -0.162 -8.035 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.397 -2.133 -7.484 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.277 -2.321 -6.763 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -2.030 -1.975 -4.319 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -1.099 -0.878 -5.320 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.352 -3.995 -5.071 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.947 -4.451 -6.743 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.720 -3.682 -5.708 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -3.038 0.277 -4.322 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.192 0.213 -6.094 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -4.137 -0.901 -5.079 1.00 10.00 H new ATOM 147 N GLU A 10 -1.243 -3.842 -9.190 1.00 10.00 N ATOM 148 CA GLU A 10 -1.748 -4.850 -10.104 1.00 10.00 C ATOM 149 C GLU A 10 -1.893 -6.184 -9.381 1.00 10.00 C ATOM 150 O GLU A 10 -0.930 -6.706 -8.812 1.00 10.00 O ATOM 151 CB GLU A 10 -0.814 -5.069 -11.293 1.00 10.00 C ATOM 152 CG GLU A 10 -0.774 -3.887 -12.268 1.00 10.00 C ATOM 153 CD GLU A 10 -0.346 -4.340 -13.659 1.00 10.00 C ATOM 154 OE1 GLU A 10 -1.111 -5.126 -14.258 1.00 10.00 O ATOM 155 OE2 GLU A 10 0.749 -3.916 -14.088 1.00 10.00 O ATOM 0 H GLU A 10 -0.351 -4.089 -8.762 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.710 -4.489 -10.467 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.194 -5.258 -10.923 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -1.129 -5.963 -11.832 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -1.758 -3.421 -12.320 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -0.082 -3.130 -11.899 1.00 10.00 H new ATOM 162 N GLY A 11 -3.088 -6.752 -9.502 1.00 10.00 N ATOM 163 CA GLY A 11 -3.385 -8.161 -9.321 1.00 10.00 C ATOM 164 C GLY A 11 -4.609 -8.405 -8.443 1.00 10.00 C ATOM 165 O GLY A 11 -5.115 -9.528 -8.422 1.00 10.00 O ATOM 0 H GLY A 11 -3.917 -6.209 -9.742 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.547 -8.621 -10.296 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.521 -8.654 -8.876 1.00 10.00 H new ATOM 169 N MET A 12 -5.086 -7.395 -7.704 1.00 10.00 N ATOM 170 CA MET A 12 -6.019 -7.606 -6.602 1.00 10.00 C ATOM 171 C MET A 12 -7.455 -7.779 -7.092 1.00 10.00 C ATOM 172 O MET A 12 -8.372 -7.058 -6.714 1.00 10.00 O ATOM 173 CB MET A 12 -5.884 -6.479 -5.584 1.00 10.00 C ATOM 174 CG MET A 12 -6.064 -5.093 -6.218 1.00 10.00 C ATOM 175 SD MET A 12 -6.712 -3.838 -5.097 1.00 10.00 S ATOM 176 CE MET A 12 -5.464 -4.028 -3.822 1.00 10.00 C ATOM 0 H MET A 12 -4.835 -6.418 -7.855 1.00 10.00 H new ATOM 0 HA MET A 12 -5.761 -8.542 -6.106 1.00 10.00 H new ATOM 0 HB2 MET A 12 -6.625 -6.614 -4.796 1.00 10.00 H new ATOM 0 HB3 MET A 12 -4.903 -6.535 -5.112 1.00 10.00 H new ATOM 0 HG2 MET A 12 -5.102 -4.756 -6.604 1.00 10.00 H new ATOM 0 HG3 MET A 12 -6.736 -5.182 -7.071 1.00 10.00 H new ATOM 0 HE1 MET A 12 -5.762 -3.468 -2.935 1.00 10.00 H new ATOM 0 HE2 MET A 12 -5.361 -5.083 -3.568 1.00 10.00 H new ATOM 0 HE3 MET A 12 -4.510 -3.648 -4.187 1.00 10.00 H new ATOM 186 N THR A 13 -7.677 -8.803 -7.896 1.00 10.00 N ATOM 187 CA THR A 13 -8.929 -9.091 -8.563 1.00 10.00 C ATOM 188 C THR A 13 -9.792 -9.946 -7.632 1.00 10.00 C ATOM 189 O THR A 13 -10.259 -11.019 -8.006 1.00 10.00 O ATOM 190 CB THR A 13 -8.587 -9.753 -9.909 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.501 -10.658 -9.771 1.00 10.00 O ATOM 192 CG2 THR A 13 -8.184 -8.682 -10.928 1.00 10.00 C ATOM 0 H THR A 13 -6.952 -9.488 -8.110 1.00 10.00 H new ATOM 0 HA THR A 13 -9.519 -8.201 -8.782 1.00 10.00 H new ATOM 0 HB THR A 13 -9.471 -10.293 -10.246 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.304 -11.067 -10.639 1.00 10.00 H new ATOM 0 HG21 THR A 13 -7.943 -9.157 -11.879 1.00 10.00 H new ATOM 0 HG22 THR A 13 -9.010 -7.985 -11.069 1.00 10.00 H new ATOM 0 HG23 THR A 13 -7.312 -8.141 -10.561 1.00 10.00 H new ATOM 200 N CYS A 14 -9.969 -9.466 -6.394 1.00 10.00 N ATOM 201 CA CYS A 14 -10.551 -10.226 -5.301 1.00 10.00 C ATOM 202 C CYS A 14 -11.375 -9.282 -4.418 1.00 10.00 C ATOM 203 O CYS A 14 -12.562 -9.104 -4.673 1.00 10.00 O ATOM 204 CB CYS A 14 -9.411 -10.955 -4.571 1.00 10.00 C ATOM 205 SG CYS A 14 -9.786 -11.678 -2.952 1.00 10.00 S ATOM 0 H CYS A 14 -9.703 -8.518 -6.128 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.247 -10.991 -5.645 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -9.051 -11.752 -5.221 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -8.588 -10.251 -4.443 1.00 10.00 H new ATOM 210 N ALA A 15 -10.726 -8.675 -3.414 1.00 10.00 N ATOM 211 CA ALA A 15 -11.250 -7.766 -2.388 1.00 10.00 C ATOM 212 C ALA A 15 -10.469 -8.017 -1.101 1.00 10.00 C ATOM 213 O ALA A 15 -9.823 -7.121 -0.558 1.00 10.00 O ATOM 214 CB ALA A 15 -12.755 -7.928 -2.130 1.00 10.00 C ATOM 0 H ALA A 15 -9.725 -8.824 -3.289 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.122 -6.745 -2.746 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -13.070 -7.224 -1.360 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.305 -7.730 -3.050 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -12.960 -8.945 -1.797 1.00 10.00 H new ATOM 220 N ALA A 16 -10.473 -9.268 -0.642 1.00 10.00 N ATOM 221 CA ALA A 16 -9.752 -9.665 0.564 1.00 10.00 C ATOM 222 C ALA A 16 -8.265 -9.342 0.410 1.00 10.00 C ATOM 223 O ALA A 16 -7.635 -8.801 1.317 1.00 10.00 O ATOM 224 CB ALA A 16 -9.979 -11.152 0.846 1.00 10.00 C ATOM 0 H ALA A 16 -10.975 -10.032 -1.095 1.00 10.00 H new ATOM 0 HA ALA A 16 -10.132 -9.103 1.418 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.437 -11.438 1.747 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -11.044 -11.337 0.989 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.618 -11.741 0.003 1.00 10.00 H new ATOM 230 N CYS A 17 -7.726 -9.635 -0.775 1.00 10.00 N ATOM 231 CA CYS A 17 -6.401 -9.233 -1.214 1.00 10.00 C ATOM 232 C CYS A 17 -6.118 -7.752 -0.947 1.00 10.00 C ATOM 233 O CYS A 17 -5.009 -7.403 -0.541 1.00 10.00 O ATOM 234 CB CYS A 17 -6.279 -9.551 -2.703 1.00 10.00 C ATOM 235 SG CYS A 17 -6.315 -11.332 -3.049 1.00 10.00 S ATOM 0 H CYS A 17 -8.225 -10.180 -1.478 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.657 -9.787 -0.642 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.093 -9.065 -3.241 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.348 -9.130 -3.084 1.00 10.00 H new ATOM 240 N ALA A 18 -7.111 -6.889 -1.172 1.00 10.00 N ATOM 241 CA ALA A 18 -6.984 -5.460 -0.955 1.00 10.00 C ATOM 242 C ALA A 18 -6.912 -5.164 0.545 1.00 10.00 C ATOM 243 O ALA A 18 -5.968 -4.536 1.023 1.00 10.00 O ATOM 244 CB ALA A 18 -8.102 -4.722 -1.697 1.00 10.00 C ATOM 0 H ALA A 18 -8.030 -7.172 -1.512 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.050 -5.085 -1.374 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.002 -3.649 -1.531 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.031 -4.932 -2.764 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.070 -5.058 -1.325 1.00 10.00 H new ATOM 250 N ASN A 19 -7.868 -5.677 1.319 1.00 10.00 N ATOM 251 CA ASN A 19 -7.843 -5.498 2.773 1.00 10.00 C ATOM 252 C ASN A 19 -6.556 -6.052 3.400 1.00 10.00 C ATOM 253 O ASN A 19 -6.035 -5.512 4.378 1.00 10.00 O ATOM 254 CB ASN A 19 -9.076 -6.123 3.434 1.00 10.00 C ATOM 255 CG ASN A 19 -10.381 -5.441 3.032 1.00 10.00 C ATOM 256 OD1 ASN A 19 -11.273 -6.091 2.494 1.00 10.00 O ATOM 257 ND2 ASN A 19 -10.525 -4.145 3.288 1.00 10.00 N ATOM 0 H ASN A 19 -8.662 -6.214 0.970 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.863 -4.424 2.957 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.128 -7.179 3.168 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.965 -6.072 4.517 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.391 -3.669 3.037 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -9.769 -3.627 3.736 1.00 10.00 H new ATOM 264 N ARG A 20 -6.006 -7.127 2.831 1.00 10.00 N ATOM 265 CA ARG A 20 -4.744 -7.695 3.242 1.00 10.00 C ATOM 266 C ARG A 20 -3.632 -6.652 3.122 1.00 10.00 C ATOM 267 O ARG A 20 -2.743 -6.613 3.978 1.00 10.00 O ATOM 268 CB ARG A 20 -4.470 -8.916 2.363 1.00 10.00 C ATOM 269 CG ARG A 20 -4.894 -10.224 3.037 1.00 10.00 C ATOM 270 CD ARG A 20 -4.749 -11.371 2.033 1.00 10.00 C ATOM 271 NE ARG A 20 -5.100 -12.665 2.637 1.00 10.00 N ATOM 272 CZ ARG A 20 -5.192 -13.819 1.954 1.00 10.00 C ATOM 273 NH1 ARG A 20 -4.948 -13.836 0.639 1.00 10.00 N ATOM 274 NH2 ARG A 20 -5.523 -14.947 2.594 1.00 10.00 N ATOM 0 H ARG A 20 -6.443 -7.628 2.058 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.780 -8.004 4.287 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -5.002 -8.808 1.418 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.407 -8.960 2.127 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -4.277 -10.412 3.916 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -5.926 -10.153 3.381 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -5.390 -11.185 1.171 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -3.723 -11.406 1.665 1.00 10.00 H new ATOM 0 HE ARG A 20 -5.286 -12.688 3.640 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -4.693 -12.974 0.156 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -5.017 -14.711 0.119 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -5.705 -14.929 3.598 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -5.594 -15.824 2.078 1.00 10.00 H new ATOM 288 N ILE A 21 -3.680 -5.803 2.088 1.00 10.00 N ATOM 289 CA ILE A 21 -2.699 -4.732 1.970 1.00 10.00 C ATOM 290 C ILE A 21 -2.820 -3.828 3.187 1.00 10.00 C ATOM 291 O ILE A 21 -1.828 -3.621 3.878 1.00 10.00 O ATOM 292 CB ILE A 21 -2.771 -3.921 0.659 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.112 -4.808 -0.538 1.00 10.00 C ATOM 294 CG2 ILE A 21 -1.397 -3.287 0.426 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.774 -4.226 -1.915 1.00 10.00 C ATOM 0 H ILE A 21 -4.373 -5.839 1.340 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.718 -5.205 1.931 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.555 -3.169 0.752 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -2.586 -5.756 -0.426 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -4.179 -5.030 -0.510 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -1.416 -2.706 -0.496 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -1.152 -2.633 1.263 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -0.644 -4.071 0.345 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -3.057 -4.938 -2.690 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -3.321 -3.294 -2.060 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.703 -4.031 -1.975 1.00 10.00 H new ATOM 307 N GLU A 22 -4.029 -3.339 3.482 1.00 10.00 N ATOM 308 CA GLU A 22 -4.280 -2.453 4.615 1.00 10.00 C ATOM 309 C GLU A 22 -3.672 -3.050 5.884 1.00 10.00 C ATOM 310 O GLU A 22 -2.962 -2.378 6.633 1.00 10.00 O ATOM 311 CB GLU A 22 -5.788 -2.225 4.811 1.00 10.00 C ATOM 312 CG GLU A 22 -6.484 -1.728 3.546 1.00 10.00 C ATOM 313 CD GLU A 22 -7.963 -1.465 3.789 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.649 -2.431 4.192 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.377 -0.311 3.553 1.00 10.00 O ATOM 0 H GLU A 22 -4.864 -3.550 2.936 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.814 -1.490 4.409 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.252 -3.157 5.133 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.940 -1.501 5.611 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -6.003 -0.813 3.200 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.370 -2.467 2.753 1.00 10.00 H new ATOM 322 N LYS A 23 -3.938 -4.338 6.105 1.00 10.00 N ATOM 323 CA LYS A 23 -3.464 -5.081 7.254 1.00 10.00 C ATOM 324 C LYS A 23 -1.937 -5.190 7.313 1.00 10.00 C ATOM 325 O LYS A 23 -1.394 -5.294 8.416 1.00 10.00 O ATOM 326 CB LYS A 23 -4.116 -6.471 7.240 1.00 10.00 C ATOM 327 CG LYS A 23 -5.324 -6.580 8.183 1.00 10.00 C ATOM 328 CD LYS A 23 -5.062 -6.398 9.693 1.00 10.00 C ATOM 329 CE LYS A 23 -4.298 -7.541 10.380 1.00 10.00 C ATOM 330 NZ LYS A 23 -2.858 -7.556 10.050 1.00 10.00 N ATOM 0 H LYS A 23 -4.504 -4.900 5.469 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.752 -4.536 8.153 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.433 -6.707 6.224 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.373 -7.217 7.523 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -6.060 -5.836 7.876 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.780 -7.559 8.035 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.502 -5.474 9.837 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -6.020 -6.272 10.197 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -4.416 -7.452 11.460 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -4.741 -8.493 10.089 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.646 -8.386 9.460 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.612 -6.690 9.530 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.301 -7.603 10.927 1.00 10.00 H new ATOM 344 N ARG A 24 -1.256 -5.234 6.164 1.00 10.00 N ATOM 345 CA ARG A 24 0.202 -5.186 6.099 1.00 10.00 C ATOM 346 C ARG A 24 0.680 -3.764 6.381 1.00 10.00 C ATOM 347 O ARG A 24 1.529 -3.557 7.239 1.00 10.00 O ATOM 348 CB ARG A 24 0.708 -5.676 4.730 1.00 10.00 C ATOM 349 CG ARG A 24 1.608 -6.915 4.828 1.00 10.00 C ATOM 350 CD ARG A 24 0.892 -8.115 5.464 1.00 10.00 C ATOM 351 NE ARG A 24 1.611 -9.364 5.157 1.00 10.00 N ATOM 352 CZ ARG A 24 1.124 -10.605 5.324 1.00 10.00 C ATOM 353 NH1 ARG A 24 -0.101 -10.775 5.831 1.00 10.00 N ATOM 354 NH2 ARG A 24 1.865 -11.667 4.988 1.00 10.00 N ATOM 0 H ARG A 24 -1.705 -5.304 5.251 1.00 10.00 H new ATOM 0 HA ARG A 24 0.612 -5.853 6.857 1.00 10.00 H new ATOM 0 HB2 ARG A 24 -0.147 -5.905 4.094 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.260 -4.871 4.244 1.00 10.00 H new ATOM 0 HG2 ARG A 24 1.953 -7.189 3.831 1.00 10.00 H new ATOM 0 HG3 ARG A 24 2.493 -6.671 5.416 1.00 10.00 H new ATOM 0 HD2 ARG A 24 0.830 -7.979 6.544 1.00 10.00 H new ATOM 0 HD3 ARG A 24 -0.131 -8.176 5.092 1.00 10.00 H new ATOM 0 HE ARG A 24 2.558 -9.279 4.787 1.00 10.00 H new ATOM 0 HH11 ARG A 24 -0.663 -9.964 6.090 1.00 10.00 H new ATOM 0 HH12 ARG A 24 -0.474 -11.716 5.959 1.00 10.00 H new ATOM 0 HH21 ARG A 24 2.801 -11.535 4.605 1.00 10.00 H new ATOM 0 HH22 ARG A 24 1.494 -12.609 5.115 1.00 10.00 H new ATOM 368 N LEU A 25 0.124 -2.789 5.665 1.00 10.00 N ATOM 369 CA LEU A 25 0.496 -1.386 5.759 1.00 10.00 C ATOM 370 C LEU A 25 0.423 -0.933 7.215 1.00 10.00 C ATOM 371 O LEU A 25 1.380 -0.374 7.738 1.00 10.00 O ATOM 372 CB LEU A 25 -0.411 -0.560 4.836 1.00 10.00 C ATOM 373 CG LEU A 25 -0.145 -0.868 3.349 1.00 10.00 C ATOM 374 CD1 LEU A 25 -1.374 -0.521 2.503 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.074 -0.092 2.839 1.00 10.00 C ATOM 0 H LEU A 25 -0.617 -2.962 4.986 1.00 10.00 H new ATOM 0 HA LEU A 25 1.524 -1.237 5.428 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.455 -0.769 5.070 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.249 0.502 5.022 1.00 10.00 H new ATOM 0 HG LEU A 25 0.060 -1.935 3.258 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -1.170 -0.744 1.456 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.226 -1.111 2.840 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.602 0.540 2.610 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.241 -0.326 1.788 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.896 0.978 2.948 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.953 -0.375 3.418 1.00 10.00 H new ATOM 387 N ASN A 26 -0.683 -1.254 7.892 1.00 10.00 N ATOM 388 CA ASN A 26 -0.863 -0.999 9.316 1.00 10.00 C ATOM 389 C ASN A 26 0.266 -1.593 10.160 1.00 10.00 C ATOM 390 O ASN A 26 0.685 -0.988 11.141 1.00 10.00 O ATOM 391 CB ASN A 26 -2.206 -1.573 9.780 1.00 10.00 C ATOM 392 CG ASN A 26 -3.342 -0.567 9.622 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.767 0.056 10.587 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.856 -0.405 8.406 1.00 10.00 N ATOM 0 H ASN A 26 -1.488 -1.705 7.456 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.846 0.082 9.457 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.434 -2.471 9.206 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.130 -1.873 10.825 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.623 0.251 8.260 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.483 -0.937 7.620 1.00 10.00 H new ATOM 401 N LYS A 27 0.742 -2.794 9.814 1.00 10.00 N ATOM 402 CA LYS A 27 1.862 -3.404 10.515 1.00 10.00 C ATOM 403 C LYS A 27 3.148 -2.583 10.332 1.00 10.00 C ATOM 404 O LYS A 27 4.020 -2.646 11.195 1.00 10.00 O ATOM 405 CB LYS A 27 2.039 -4.879 10.096 1.00 10.00 C ATOM 406 CG LYS A 27 3.080 -5.590 10.977 1.00 10.00 C ATOM 407 CD LYS A 27 3.349 -7.041 10.560 1.00 10.00 C ATOM 408 CE LYS A 27 2.231 -8.003 10.989 1.00 10.00 C ATOM 409 NZ LYS A 27 2.677 -9.413 10.937 1.00 10.00 N ATOM 0 H LYS A 27 0.365 -3.358 9.052 1.00 10.00 H new ATOM 0 HA LYS A 27 1.639 -3.401 11.582 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.083 -5.397 10.169 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.349 -4.928 9.052 1.00 10.00 H new ATOM 0 HG2 LYS A 27 4.015 -5.031 10.942 1.00 10.00 H new ATOM 0 HG3 LYS A 27 2.738 -5.576 12.012 1.00 10.00 H new ATOM 0 HD2 LYS A 27 3.465 -7.087 9.477 1.00 10.00 H new ATOM 0 HD3 LYS A 27 4.292 -7.370 10.996 1.00 10.00 H new ATOM 0 HE2 LYS A 27 1.909 -7.760 12.002 1.00 10.00 H new ATOM 0 HE3 LYS A 27 1.366 -7.870 10.339 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 1.898 -10.035 11.233 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 2.961 -9.652 9.965 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 3.487 -9.545 11.576 1.00 10.00 H new ATOM 423 N ILE A 28 3.307 -1.842 9.228 1.00 10.00 N ATOM 424 CA ILE A 28 4.503 -1.028 9.051 1.00 10.00 C ATOM 425 C ILE A 28 4.419 0.183 9.976 1.00 10.00 C ATOM 426 O ILE A 28 3.523 1.022 9.885 1.00 10.00 O ATOM 427 CB ILE A 28 4.726 -0.568 7.607 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.464 -1.618 6.534 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.089 0.120 7.431 1.00 10.00 C ATOM 430 CD1 ILE A 28 5.467 -2.744 6.643 1.00 10.00 C ATOM 0 H ILE A 28 2.635 -1.793 8.462 1.00 10.00 H new ATOM 0 HA ILE A 28 5.358 -1.655 9.303 1.00 10.00 H new ATOM 0 HB ILE A 28 3.946 0.174 7.437 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.453 -2.011 6.640 1.00 10.00 H new ATOM 0 HG13 ILE A 28 4.526 -1.161 5.546 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.208 0.431 6.393 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.142 0.994 8.080 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.885 -0.577 7.695 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.267 -3.486 5.870 1.00 10.00 H new ATOM 0 HD12 ILE A 28 6.474 -2.348 6.513 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.384 -3.211 7.624 1.00 10.00 H new ATOM 442 N GLU A 29 5.412 0.277 10.842 1.00 10.00 N ATOM 443 CA GLU A 29 5.568 1.371 11.779 1.00 10.00 C ATOM 444 C GLU A 29 5.975 2.618 10.992 1.00 10.00 C ATOM 445 O GLU A 29 6.824 2.535 10.108 1.00 10.00 O ATOM 446 CB GLU A 29 6.598 0.991 12.850 1.00 10.00 C ATOM 447 CG GLU A 29 6.151 -0.263 13.620 1.00 10.00 C ATOM 448 CD GLU A 29 7.103 -0.594 14.762 1.00 10.00 C ATOM 449 OE1 GLU A 29 7.273 0.289 15.629 1.00 10.00 O ATOM 450 OE2 GLU A 29 7.638 -1.724 14.747 1.00 10.00 O ATOM 0 H GLU A 29 6.150 -0.424 10.914 1.00 10.00 H new ATOM 0 HA GLU A 29 4.634 1.582 12.300 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.565 0.810 12.382 1.00 10.00 H new ATOM 0 HB3 GLU A 29 6.730 1.821 13.544 1.00 10.00 H new ATOM 0 HG2 GLU A 29 5.148 -0.108 14.016 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.096 -1.110 12.936 1.00 10.00 H new ATOM 457 N GLY A 30 5.339 3.756 11.280 1.00 10.00 N ATOM 458 CA GLY A 30 5.595 5.014 10.588 1.00 10.00 C ATOM 459 C GLY A 30 4.537 5.343 9.533 1.00 10.00 C ATOM 460 O GLY A 30 4.502 6.470 9.037 1.00 10.00 O ATOM 0 H GLY A 30 4.627 3.827 12.007 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.635 5.822 11.318 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.574 4.967 10.110 1.00 10.00 H new ATOM 464 N VAL A 31 3.670 4.382 9.191 1.00 10.00 N ATOM 465 CA VAL A 31 2.516 4.627 8.337 1.00 10.00 C ATOM 466 C VAL A 31 1.366 5.092 9.230 1.00 10.00 C ATOM 467 O VAL A 31 1.105 4.482 10.265 1.00 10.00 O ATOM 468 CB VAL A 31 2.169 3.364 7.531 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.944 3.599 6.636 1.00 10.00 C ATOM 470 CG2 VAL A 31 3.354 2.957 6.643 1.00 10.00 C ATOM 0 H VAL A 31 3.755 3.414 9.502 1.00 10.00 H new ATOM 0 HA VAL A 31 2.727 5.405 7.603 1.00 10.00 H new ATOM 0 HB VAL A 31 1.946 2.570 8.244 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.721 2.690 6.078 1.00 10.00 H new ATOM 0 HG12 VAL A 31 0.087 3.864 7.255 1.00 10.00 H new ATOM 0 HG13 VAL A 31 1.153 4.411 5.939 1.00 10.00 H new ATOM 0 HG21 VAL A 31 3.095 2.062 6.078 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.586 3.767 5.952 1.00 10.00 H new ATOM 0 HG23 VAL A 31 4.224 2.753 7.268 1.00 10.00 H new ATOM 480 N ALA A 32 0.691 6.178 8.844 1.00 10.00 N ATOM 481 CA ALA A 32 -0.432 6.723 9.593 1.00 10.00 C ATOM 482 C ALA A 32 -1.708 5.987 9.197 1.00 10.00 C ATOM 483 O ALA A 32 -2.461 5.540 10.059 1.00 10.00 O ATOM 484 CB ALA A 32 -0.556 8.228 9.336 1.00 10.00 C ATOM 0 H ALA A 32 0.913 6.703 7.998 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.266 6.581 10.661 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.399 8.625 9.901 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.360 8.728 9.651 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.717 8.403 8.272 1.00 10.00 H new ATOM 490 N ASN A 33 -1.954 5.852 7.891 1.00 10.00 N ATOM 491 CA ASN A 33 -3.131 5.183 7.355 1.00 10.00 C ATOM 492 C ASN A 33 -2.888 4.973 5.869 1.00 10.00 C ATOM 493 O ASN A 33 -1.901 5.468 5.338 1.00 10.00 O ATOM 494 CB ASN A 33 -4.422 5.973 7.631 1.00 10.00 C ATOM 495 CG ASN A 33 -4.327 7.433 7.200 1.00 10.00 C ATOM 496 OD1 ASN A 33 -3.892 8.272 7.982 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.730 7.746 5.974 1.00 10.00 N ATOM 0 H ASN A 33 -1.329 6.212 7.170 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.279 4.223 7.849 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -5.252 5.498 7.108 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -4.649 5.928 8.696 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -4.684 8.713 5.653 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -5.086 7.019 5.353 1.00 10.00 H new ATOM 504 N ALA A 34 -3.742 4.192 5.210 1.00 10.00 N ATOM 505 CA ALA A 34 -3.497 3.681 3.872 1.00 10.00 C ATOM 506 C ALA A 34 -4.675 2.870 3.304 1.00 10.00 C ATOM 507 O ALA A 34 -4.509 1.685 3.016 1.00 10.00 O ATOM 508 CB ALA A 34 -2.237 2.813 3.901 1.00 10.00 C ATOM 0 H ALA A 34 -4.636 3.895 5.601 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.369 4.539 3.212 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.041 2.423 2.902 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.389 3.414 4.229 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.383 1.983 4.593 1.00 10.00 H new ATOM 514 N PRO A 35 -5.862 3.467 3.127 1.00 10.00 N ATOM 515 CA PRO A 35 -6.998 2.771 2.540 1.00 10.00 C ATOM 516 C PRO A 35 -6.756 2.525 1.045 1.00 10.00 C ATOM 517 O PRO A 35 -6.454 3.467 0.308 1.00 10.00 O ATOM 518 CB PRO A 35 -8.196 3.694 2.783 1.00 10.00 C ATOM 519 CG PRO A 35 -7.568 5.090 2.815 1.00 10.00 C ATOM 520 CD PRO A 35 -6.200 4.843 3.451 1.00 10.00 C ATOM 0 HA PRO A 35 -7.165 1.788 2.981 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -8.939 3.606 1.990 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.701 3.459 3.720 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.477 5.513 1.815 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.165 5.787 3.403 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.454 5.533 3.057 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.236 4.994 4.530 1.00 10.00 H new ATOM 528 N VAL A 36 -6.879 1.272 0.585 1.00 10.00 N ATOM 529 CA VAL A 36 -6.744 0.940 -0.829 1.00 10.00 C ATOM 530 C VAL A 36 -8.096 1.002 -1.551 1.00 10.00 C ATOM 531 O VAL A 36 -9.103 0.498 -1.056 1.00 10.00 O ATOM 532 CB VAL A 36 -5.994 -0.387 -1.005 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.669 -1.559 -0.293 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.811 -0.716 -2.489 1.00 10.00 C ATOM 0 H VAL A 36 -7.074 0.469 1.183 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.129 1.697 -1.316 1.00 10.00 H new ATOM 0 HB VAL A 36 -5.019 -0.247 -0.538 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.089 -2.467 -0.457 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -6.725 -1.352 0.776 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -7.675 -1.695 -0.689 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.277 -1.661 -2.589 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -6.787 -0.799 -2.966 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.238 0.077 -2.970 1.00 10.00 H new ATOM 544 N ASN A 37 -8.121 1.638 -2.725 1.00 10.00 N ATOM 545 CA ASN A 37 -9.330 1.873 -3.499 1.00 10.00 C ATOM 546 C ASN A 37 -9.553 0.748 -4.510 1.00 10.00 C ATOM 547 O ASN A 37 -8.947 0.728 -5.588 1.00 10.00 O ATOM 548 CB ASN A 37 -9.241 3.228 -4.205 1.00 10.00 C ATOM 549 CG ASN A 37 -10.380 3.384 -5.204 1.00 10.00 C ATOM 550 OD1 ASN A 37 -11.516 3.013 -4.933 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.072 3.897 -6.388 1.00 10.00 N ATOM 0 H ASN A 37 -7.281 2.009 -3.168 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.183 1.887 -2.821 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -9.282 4.031 -3.470 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.284 3.315 -4.719 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -10.791 3.992 -7.105 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.116 4.196 -6.581 1.00 10.00 H new ATOM 558 N PHE A 38 -10.470 -0.159 -4.172 1.00 10.00 N ATOM 559 CA PHE A 38 -10.893 -1.267 -5.019 1.00 10.00 C ATOM 560 C PHE A 38 -11.763 -0.765 -6.179 1.00 10.00 C ATOM 561 O PHE A 38 -12.958 -1.044 -6.249 1.00 10.00 O ATOM 562 CB PHE A 38 -11.634 -2.290 -4.152 1.00 10.00 C ATOM 563 CG PHE A 38 -11.766 -3.658 -4.788 1.00 10.00 C ATOM 564 CD1 PHE A 38 -10.687 -4.555 -4.714 1.00 10.00 C ATOM 565 CD2 PHE A 38 -12.951 -4.041 -5.445 1.00 10.00 C ATOM 566 CE1 PHE A 38 -10.809 -5.842 -5.255 1.00 10.00 C ATOM 567 CE2 PHE A 38 -13.049 -5.313 -6.035 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.977 -6.215 -5.939 1.00 10.00 C ATOM 0 H PHE A 38 -10.952 -0.139 -3.273 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.023 -1.747 -5.467 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.111 -2.392 -3.201 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.630 -1.907 -3.928 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -9.764 -4.253 -4.241 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -13.785 -3.357 -5.496 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -10.001 -6.550 -5.145 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -13.948 -5.596 -6.562 1.00 10.00 H new ATOM 0 HZ PHE A 38 -12.051 -7.193 -6.390 1.00 10.00 H new ATOM 578 N ALA A 39 -11.153 -0.010 -7.092 1.00 10.00 N ATOM 579 CA ALA A 39 -11.783 0.456 -8.321 1.00 10.00 C ATOM 580 C ALA A 39 -10.719 0.848 -9.342 1.00 10.00 C ATOM 581 O ALA A 39 -10.680 0.301 -10.439 1.00 10.00 O ATOM 582 CB ALA A 39 -12.731 1.624 -8.029 1.00 10.00 C ATOM 0 H ALA A 39 -10.186 0.300 -6.993 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.376 -0.355 -8.744 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.192 1.959 -8.958 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.506 1.299 -7.335 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.169 2.446 -7.586 1.00 10.00 H new ATOM 588 N LEU A 40 -9.844 1.791 -8.977 1.00 10.00 N ATOM 589 CA LEU A 40 -8.750 2.233 -9.842 1.00 10.00 C ATOM 590 C LEU A 40 -7.544 1.307 -9.690 1.00 10.00 C ATOM 591 O LEU A 40 -6.603 1.386 -10.473 1.00 10.00 O ATOM 592 CB LEU A 40 -8.348 3.677 -9.498 1.00 10.00 C ATOM 593 CG LEU A 40 -9.463 4.689 -9.530 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.094 6.005 -8.832 1.00 10.00 C ATOM 595 CD2 LEU A 40 -9.913 4.959 -10.958 1.00 10.00 C ATOM 0 H LEU A 40 -9.876 2.267 -8.075 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.093 2.198 -10.876 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -7.904 3.684 -8.503 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.573 3.995 -10.195 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.290 4.251 -8.971 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.936 6.695 -8.887 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.854 5.808 -7.787 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.229 6.448 -9.325 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.719 5.693 -10.953 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.074 5.345 -11.537 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.269 4.033 -11.409 1.00 10.00 H new ATOM 607 N GLU A 41 -7.570 0.467 -8.650 1.00 10.00 N ATOM 608 CA GLU A 41 -6.458 -0.368 -8.226 1.00 10.00 C ATOM 609 C GLU A 41 -5.308 0.569 -7.835 1.00 10.00 C ATOM 610 O GLU A 41 -4.192 0.515 -8.345 1.00 10.00 O ATOM 611 CB GLU A 41 -6.129 -1.457 -9.271 1.00 10.00 C ATOM 612 CG GLU A 41 -5.960 -2.829 -8.592 1.00 10.00 C ATOM 613 CD GLU A 41 -5.638 -3.990 -9.538 1.00 10.00 C ATOM 614 OE1 GLU A 41 -6.112 -3.942 -10.692 1.00 10.00 O ATOM 615 OE2 GLU A 41 -4.979 -4.953 -9.071 1.00 10.00 O ATOM 0 H GLU A 41 -8.397 0.351 -8.065 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.702 -0.961 -7.345 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -6.926 -1.509 -10.013 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.215 -1.194 -9.803 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.164 -2.754 -7.851 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -6.877 -3.065 -8.052 1.00 10.00 H new ATOM 622 N THR A 42 -5.624 1.484 -6.918 1.00 10.00 N ATOM 623 CA THR A 42 -4.721 2.498 -6.396 1.00 10.00 C ATOM 624 C THR A 42 -4.879 2.544 -4.873 1.00 10.00 C ATOM 625 O THR A 42 -6.001 2.442 -4.381 1.00 10.00 O ATOM 626 CB THR A 42 -5.040 3.851 -7.047 1.00 10.00 C ATOM 627 OG1 THR A 42 -5.032 3.735 -8.460 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.020 4.920 -6.655 1.00 10.00 C ATOM 0 H THR A 42 -6.555 1.537 -6.505 1.00 10.00 H new ATOM 0 HA THR A 42 -3.684 2.259 -6.631 1.00 10.00 H new ATOM 0 HB THR A 42 -6.027 4.147 -6.693 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.239 4.605 -8.861 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.279 5.864 -7.135 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.027 5.050 -5.573 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.026 4.610 -6.977 1.00 10.00 H new ATOM 636 N VAL A 43 -3.781 2.691 -4.126 1.00 10.00 N ATOM 637 CA VAL A 43 -3.801 2.971 -2.693 1.00 10.00 C ATOM 638 C VAL A 43 -3.228 4.362 -2.456 1.00 10.00 C ATOM 639 O VAL A 43 -2.240 4.727 -3.093 1.00 10.00 O ATOM 640 CB VAL A 43 -3.056 1.881 -1.895 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.586 1.733 -2.301 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.124 2.137 -0.383 1.00 10.00 C ATOM 0 H VAL A 43 -2.839 2.617 -4.510 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.829 2.953 -2.330 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.573 0.952 -2.137 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.120 0.950 -1.702 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.525 1.467 -3.356 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.066 2.676 -2.134 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.588 1.348 0.144 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.667 3.100 -0.156 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.166 2.145 -0.062 1.00 10.00 H new ATOM 652 N THR A 44 -3.845 5.116 -1.539 1.00 10.00 N ATOM 653 CA THR A 44 -3.316 6.386 -1.060 1.00 10.00 C ATOM 654 C THR A 44 -2.738 6.126 0.329 1.00 10.00 C ATOM 655 O THR A 44 -3.503 5.870 1.255 1.00 10.00 O ATOM 656 CB THR A 44 -4.420 7.452 -1.014 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.161 7.435 -2.217 1.00 10.00 O ATOM 658 CG2 THR A 44 -3.831 8.853 -0.833 1.00 10.00 C ATOM 0 H THR A 44 -4.732 4.855 -1.109 1.00 10.00 H new ATOM 0 HA THR A 44 -2.545 6.767 -1.730 1.00 10.00 H new ATOM 0 HB THR A 44 -5.064 7.220 -0.166 1.00 10.00 H new ATOM 0 HG1 THR A 44 -5.864 8.117 -2.178 1.00 10.00 H new ATOM 0 HG21 THR A 44 -4.637 9.586 -0.804 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.270 8.894 0.101 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.166 9.078 -1.666 1.00 10.00 H new ATOM 666 N VAL A 45 -1.413 6.139 0.475 1.00 10.00 N ATOM 667 CA VAL A 45 -0.741 5.880 1.740 1.00 10.00 C ATOM 668 C VAL A 45 -0.396 7.205 2.402 1.00 10.00 C ATOM 669 O VAL A 45 0.245 8.058 1.790 1.00 10.00 O ATOM 670 CB VAL A 45 0.503 5.012 1.520 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.253 4.742 2.832 1.00 10.00 C ATOM 672 CG2 VAL A 45 0.064 3.677 0.912 1.00 10.00 C ATOM 0 H VAL A 45 -0.772 6.333 -0.294 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.404 5.325 2.404 1.00 10.00 H new ATOM 0 HB VAL A 45 1.180 5.546 0.853 1.00 10.00 H new ATOM 0 HG11 VAL A 45 2.128 4.123 2.630 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.571 5.688 3.271 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.594 4.223 3.528 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.938 3.047 0.749 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.623 3.175 1.593 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.436 3.857 -0.040 1.00 10.00 H new ATOM 682 N GLU A 46 -0.819 7.351 3.656 1.00 10.00 N ATOM 683 CA GLU A 46 -0.525 8.499 4.497 1.00 10.00 C ATOM 684 C GLU A 46 0.572 8.095 5.483 1.00 10.00 C ATOM 685 O GLU A 46 0.370 7.171 6.276 1.00 10.00 O ATOM 686 CB GLU A 46 -1.815 8.918 5.203 1.00 10.00 C ATOM 687 CG GLU A 46 -1.850 10.397 5.610 1.00 10.00 C ATOM 688 CD GLU A 46 -3.266 10.948 5.786 1.00 10.00 C ATOM 689 OE1 GLU A 46 -4.213 10.299 5.285 1.00 10.00 O ATOM 690 OE2 GLU A 46 -3.380 12.052 6.359 1.00 10.00 O ATOM 0 H GLU A 46 -1.393 6.650 4.125 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.166 9.351 3.920 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.660 8.712 4.546 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.946 8.303 6.093 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -1.301 10.522 6.544 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -1.331 10.986 4.854 1.00 10.00 H new ATOM 697 N TYR A 47 1.738 8.745 5.429 1.00 10.00 N ATOM 698 CA TYR A 47 2.862 8.403 6.296 1.00 10.00 C ATOM 699 C TYR A 47 3.783 9.604 6.496 1.00 10.00 C ATOM 700 O TYR A 47 3.518 10.679 5.962 1.00 10.00 O ATOM 701 CB TYR A 47 3.616 7.180 5.746 1.00 10.00 C ATOM 702 CG TYR A 47 4.522 7.428 4.557 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.975 7.647 3.281 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.920 7.355 4.714 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.823 7.791 2.172 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.765 7.489 3.601 1.00 10.00 C ATOM 707 CZ TYR A 47 6.218 7.741 2.336 1.00 10.00 C ATOM 708 OH TYR A 47 7.041 7.985 1.280 1.00 10.00 O ATOM 0 H TYR A 47 1.926 9.516 4.788 1.00 10.00 H new ATOM 0 HA TYR A 47 2.475 8.132 7.278 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.217 6.758 6.552 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.883 6.424 5.465 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.904 7.704 3.154 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.343 7.195 5.695 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.402 7.941 1.189 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.835 7.398 3.720 1.00 10.00 H new ATOM 0 HH TYR A 47 7.011 8.938 1.056 1.00 10.00 H new ATOM 718 N ASN A 48 4.855 9.412 7.271 1.00 10.00 N ATOM 719 CA ASN A 48 5.874 10.416 7.544 1.00 10.00 C ATOM 720 C ASN A 48 7.195 9.958 6.909 1.00 10.00 C ATOM 721 O ASN A 48 7.660 8.863 7.243 1.00 10.00 O ATOM 722 CB ASN A 48 6.055 10.545 9.065 1.00 10.00 C ATOM 723 CG ASN A 48 4.894 11.248 9.768 1.00 10.00 C ATOM 724 OD1 ASN A 48 4.050 11.880 9.139 1.00 10.00 O ATOM 725 ND2 ASN A 48 4.845 11.164 11.091 1.00 10.00 N ATOM 0 H ASN A 48 5.038 8.524 7.738 1.00 10.00 H new ATOM 0 HA ASN A 48 5.577 11.380 7.130 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.177 9.550 9.492 1.00 10.00 H new ATOM 0 HB3 ASN A 48 6.975 11.094 9.267 1.00 10.00 H new ATOM 0 HD21 ASN A 48 4.096 11.629 11.604 1.00 10.00 H new ATOM 0 HD22 ASN A 48 5.556 10.634 11.595 1.00 10.00 H new ATOM 732 N PRO A 49 7.854 10.770 6.055 1.00 10.00 N ATOM 733 CA PRO A 49 9.083 10.401 5.344 1.00 10.00 C ATOM 734 C PRO A 49 10.325 10.462 6.253 1.00 10.00 C ATOM 735 O PRO A 49 11.408 10.931 5.880 1.00 10.00 O ATOM 736 CB PRO A 49 9.156 11.376 4.165 1.00 10.00 C ATOM 737 CG PRO A 49 8.507 12.640 4.724 1.00 10.00 C ATOM 738 CD PRO A 49 7.401 12.083 5.621 1.00 10.00 C ATOM 0 HA PRO A 49 9.065 9.366 5.004 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.185 11.555 3.852 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.620 10.998 3.295 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.218 13.245 5.287 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.106 13.273 3.932 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.226 12.737 6.476 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.459 12.010 5.078 1.00 10.00 H new ATOM 746 N LYS A 50 10.172 9.961 7.475 1.00 10.00 N ATOM 747 CA LYS A 50 11.209 9.879 8.480 1.00 10.00 C ATOM 748 C LYS A 50 11.092 8.590 9.295 1.00 10.00 C ATOM 749 O LYS A 50 11.945 8.354 10.148 1.00 10.00 O ATOM 750 CB LYS A 50 11.124 11.134 9.367 1.00 10.00 C ATOM 751 CG LYS A 50 12.480 11.648 9.870 1.00 10.00 C ATOM 752 CD LYS A 50 13.335 12.261 8.746 1.00 10.00 C ATOM 753 CE LYS A 50 14.285 11.256 8.067 1.00 10.00 C ATOM 754 NZ LYS A 50 14.055 11.177 6.605 1.00 10.00 N ATOM 0 H LYS A 50 9.280 9.587 7.799 1.00 10.00 H new ATOM 0 HA LYS A 50 12.188 9.845 8.002 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.634 11.929 8.805 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.491 10.914 10.227 1.00 10.00 H new ATOM 0 HG2 LYS A 50 12.316 12.396 10.646 1.00 10.00 H new ATOM 0 HG3 LYS A 50 13.028 10.826 10.331 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.674 12.688 7.992 1.00 10.00 H new ATOM 0 HD3 LYS A 50 13.923 13.082 9.156 1.00 10.00 H new ATOM 0 HE2 LYS A 50 15.318 11.548 8.256 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.146 10.270 8.510 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 14.667 10.442 6.197 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 13.059 10.940 6.423 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 14.278 12.094 6.168 1.00 10.00 H new ATOM 768 N GLU A 51 10.055 7.779 9.043 1.00 10.00 N ATOM 769 CA GLU A 51 9.697 6.644 9.874 1.00 10.00 C ATOM 770 C GLU A 51 9.508 5.414 8.987 1.00 10.00 C ATOM 771 O GLU A 51 10.194 4.411 9.166 1.00 10.00 O ATOM 772 CB GLU A 51 8.421 6.990 10.653 1.00 10.00 C ATOM 773 CG GLU A 51 8.573 8.271 11.485 1.00 10.00 C ATOM 774 CD GLU A 51 7.292 8.593 12.241 1.00 10.00 C ATOM 775 OE1 GLU A 51 6.750 7.664 12.873 1.00 10.00 O ATOM 776 OE2 GLU A 51 6.864 9.763 12.148 1.00 10.00 O ATOM 0 H GLU A 51 9.438 7.904 8.241 1.00 10.00 H new ATOM 0 HA GLU A 51 10.485 6.419 10.592 1.00 10.00 H new ATOM 0 HB2 GLU A 51 7.593 7.110 9.954 1.00 10.00 H new ATOM 0 HB3 GLU A 51 8.164 6.160 11.312 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.395 8.153 12.191 1.00 10.00 H new ATOM 0 HG3 GLU A 51 8.831 9.104 10.831 1.00 10.00 H new ATOM 783 N ALA A 52 8.594 5.511 8.017 1.00 10.00 N ATOM 784 CA ALA A 52 8.364 4.497 7.004 1.00 10.00 C ATOM 785 C ALA A 52 8.919 4.999 5.674 1.00 10.00 C ATOM 786 O ALA A 52 9.255 6.177 5.539 1.00 10.00 O ATOM 787 CB ALA A 52 6.862 4.223 6.910 1.00 10.00 C ATOM 0 H ALA A 52 7.982 6.321 7.919 1.00 10.00 H new ATOM 0 HA ALA A 52 8.869 3.566 7.262 1.00 10.00 H new ATOM 0 HB1 ALA A 52 6.678 3.462 6.151 1.00 10.00 H new ATOM 0 HB2 ALA A 52 6.495 3.870 7.874 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.341 5.141 6.637 1.00 10.00 H new ATOM 793 N SER A 53 9.001 4.100 4.694 1.00 10.00 N ATOM 794 CA SER A 53 9.577 4.359 3.385 1.00 10.00 C ATOM 795 C SER A 53 8.733 3.655 2.325 1.00 10.00 C ATOM 796 O SER A 53 8.335 2.504 2.514 1.00 10.00 O ATOM 797 CB SER A 53 11.040 3.882 3.327 1.00 10.00 C ATOM 798 OG SER A 53 11.481 3.338 4.556 1.00 10.00 O ATOM 0 H SER A 53 8.657 3.145 4.797 1.00 10.00 H new ATOM 0 HA SER A 53 9.576 5.432 3.194 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.143 3.132 2.543 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.681 4.720 3.053 1.00 10.00 H new ATOM 0 HG SER A 53 11.548 2.363 4.477 1.00 10.00 H new ATOM 804 N VAL A 54 8.483 4.339 1.203 1.00 10.00 N ATOM 805 CA VAL A 54 7.724 3.794 0.086 1.00 10.00 C ATOM 806 C VAL A 54 8.268 2.416 -0.312 1.00 10.00 C ATOM 807 O VAL A 54 7.505 1.465 -0.422 1.00 10.00 O ATOM 808 CB VAL A 54 7.652 4.825 -1.061 1.00 10.00 C ATOM 809 CG1 VAL A 54 9.018 5.206 -1.649 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.720 4.359 -2.187 1.00 10.00 C ATOM 0 H VAL A 54 8.807 5.294 1.049 1.00 10.00 H new ATOM 0 HA VAL A 54 6.690 3.615 0.380 1.00 10.00 H new ATOM 0 HB VAL A 54 7.244 5.723 -0.597 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.880 5.934 -2.448 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.642 5.639 -0.868 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.503 4.316 -2.049 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.697 5.112 -2.975 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.086 3.417 -2.596 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.714 4.216 -1.791 1.00 10.00 H new ATOM 820 N SER A 55 9.585 2.280 -0.473 1.00 10.00 N ATOM 821 CA SER A 55 10.224 1.031 -0.856 1.00 10.00 C ATOM 822 C SER A 55 9.909 -0.138 0.085 1.00 10.00 C ATOM 823 O SER A 55 9.719 -1.262 -0.376 1.00 10.00 O ATOM 824 CB SER A 55 11.731 1.276 -0.935 1.00 10.00 C ATOM 825 OG SER A 55 11.960 2.517 -1.589 1.00 10.00 O ATOM 0 H SER A 55 10.242 3.048 -0.338 1.00 10.00 H new ATOM 0 HA SER A 55 9.824 0.730 -1.824 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.164 1.291 0.065 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.217 0.467 -1.480 1.00 10.00 H new ATOM 0 HG SER A 55 12.924 2.685 -1.644 1.00 10.00 H new ATOM 831 N ASP A 56 9.863 0.105 1.396 1.00 10.00 N ATOM 832 CA ASP A 56 9.700 -0.960 2.376 1.00 10.00 C ATOM 833 C ASP A 56 8.304 -1.538 2.238 1.00 10.00 C ATOM 834 O ASP A 56 8.106 -2.735 2.025 1.00 10.00 O ATOM 835 CB ASP A 56 9.904 -0.405 3.792 1.00 10.00 C ATOM 836 CG ASP A 56 11.372 -0.131 4.077 1.00 10.00 C ATOM 837 OD1 ASP A 56 11.841 0.927 3.601 1.00 10.00 O ATOM 838 OD2 ASP A 56 11.989 -0.976 4.757 1.00 10.00 O ATOM 0 H ASP A 56 9.937 1.038 1.801 1.00 10.00 H new ATOM 0 HA ASP A 56 10.440 -1.741 2.202 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.332 0.515 3.909 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.517 -1.116 4.522 1.00 10.00 H new ATOM 843 N LEU A 57 7.315 -0.653 2.329 1.00 10.00 N ATOM 844 CA LEU A 57 5.935 -1.067 2.192 1.00 10.00 C ATOM 845 C LEU A 57 5.699 -1.639 0.793 1.00 10.00 C ATOM 846 O LEU A 57 4.981 -2.625 0.650 1.00 10.00 O ATOM 847 CB LEU A 57 4.986 0.056 2.619 1.00 10.00 C ATOM 848 CG LEU A 57 5.028 1.321 1.757 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.148 1.197 0.509 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.554 2.526 2.577 1.00 10.00 C ATOM 0 H LEU A 57 7.448 0.344 2.496 1.00 10.00 H new ATOM 0 HA LEU A 57 5.708 -1.884 2.877 1.00 10.00 H new ATOM 0 HB2 LEU A 57 3.967 -0.332 2.614 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.217 0.331 3.648 1.00 10.00 H new ATOM 0 HG LEU A 57 6.061 1.458 1.436 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.209 2.117 -0.072 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.494 0.361 -0.099 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.114 1.025 0.808 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.586 3.423 1.958 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.532 2.356 2.916 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.206 2.658 3.441 1.00 10.00 H new ATOM 862 N LYS A 58 6.337 -1.072 -0.239 1.00 10.00 N ATOM 863 CA LYS A 58 6.291 -1.620 -1.587 1.00 10.00 C ATOM 864 C LYS A 58 6.697 -3.087 -1.523 1.00 10.00 C ATOM 865 O LYS A 58 5.965 -3.944 -2.014 1.00 10.00 O ATOM 866 CB LYS A 58 7.200 -0.799 -2.520 1.00 10.00 C ATOM 867 CG LYS A 58 7.055 -1.015 -4.033 1.00 10.00 C ATOM 868 CD LYS A 58 7.303 -2.478 -4.398 1.00 10.00 C ATOM 869 CE LYS A 58 7.887 -2.690 -5.800 1.00 10.00 C ATOM 870 NZ LYS A 58 8.271 -4.101 -6.025 1.00 10.00 N ATOM 0 H LYS A 58 6.896 -0.223 -0.156 1.00 10.00 H new ATOM 0 HA LYS A 58 5.283 -1.560 -1.998 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.025 0.257 -2.314 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.235 -1.009 -2.249 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.056 -0.720 -4.353 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.761 -0.378 -4.565 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.982 -2.913 -3.665 1.00 10.00 H new ATOM 0 HD3 LYS A 58 6.362 -3.023 -4.323 1.00 10.00 H new ATOM 0 HE2 LYS A 58 7.155 -2.388 -6.549 1.00 10.00 H new ATOM 0 HE3 LYS A 58 8.759 -2.050 -5.931 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 8.799 -4.179 -6.918 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 8.870 -4.427 -5.240 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 7.415 -4.690 -6.076 1.00 10.00 H new ATOM 884 N GLU A 59 7.861 -3.371 -0.928 1.00 10.00 N ATOM 885 CA GLU A 59 8.342 -4.743 -0.800 1.00 10.00 C ATOM 886 C GLU A 59 7.277 -5.586 -0.107 1.00 10.00 C ATOM 887 O GLU A 59 6.967 -6.676 -0.564 1.00 10.00 O ATOM 888 CB GLU A 59 9.678 -4.850 -0.042 1.00 10.00 C ATOM 889 CG GLU A 59 10.309 -6.238 -0.293 1.00 10.00 C ATOM 890 CD GLU A 59 11.002 -6.831 0.934 1.00 10.00 C ATOM 891 OE1 GLU A 59 12.105 -6.338 1.245 1.00 10.00 O ATOM 892 OE2 GLU A 59 10.434 -7.782 1.523 1.00 10.00 O ATOM 0 H GLU A 59 8.483 -2.668 -0.530 1.00 10.00 H new ATOM 0 HA GLU A 59 8.530 -5.115 -1.807 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.359 -4.065 -0.372 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.515 -4.702 1.025 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.532 -6.925 -0.627 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.033 -6.157 -1.104 1.00 10.00 H new ATOM 899 N ALA A 60 6.691 -5.078 0.976 1.00 10.00 N ATOM 900 CA ALA A 60 5.687 -5.788 1.743 1.00 10.00 C ATOM 901 C ALA A 60 4.495 -6.159 0.860 1.00 10.00 C ATOM 902 O ALA A 60 4.039 -7.300 0.891 1.00 10.00 O ATOM 903 CB ALA A 60 5.272 -4.934 2.942 1.00 10.00 C ATOM 0 H ALA A 60 6.907 -4.151 1.344 1.00 10.00 H new ATOM 0 HA ALA A 60 6.103 -6.723 2.118 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.517 -5.464 3.522 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.142 -4.741 3.570 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.861 -3.988 2.590 1.00 10.00 H new ATOM 909 N VAL A 61 3.995 -5.212 0.060 1.00 10.00 N ATOM 910 CA VAL A 61 2.910 -5.501 -0.866 1.00 10.00 C ATOM 911 C VAL A 61 3.359 -6.522 -1.908 1.00 10.00 C ATOM 912 O VAL A 61 2.655 -7.500 -2.145 1.00 10.00 O ATOM 913 CB VAL A 61 2.332 -4.225 -1.499 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.141 -4.602 -2.395 1.00 10.00 C ATOM 915 CG2 VAL A 61 1.868 -3.258 -0.401 1.00 10.00 C ATOM 0 H VAL A 61 4.325 -4.247 0.039 1.00 10.00 H new ATOM 0 HA VAL A 61 2.091 -5.945 -0.300 1.00 10.00 H new ATOM 0 HB VAL A 61 3.102 -3.736 -2.097 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.726 -3.701 -2.847 1.00 10.00 H new ATOM 0 HG12 VAL A 61 1.476 -5.280 -3.180 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.375 -5.092 -1.794 1.00 10.00 H new ATOM 0 HG21 VAL A 61 1.460 -2.357 -0.859 1.00 10.00 H new ATOM 0 HG22 VAL A 61 1.099 -3.737 0.205 1.00 10.00 H new ATOM 0 HG23 VAL A 61 2.715 -2.992 0.231 1.00 10.00 H new ATOM 925 N ASP A 62 4.544 -6.332 -2.493 1.00 10.00 N ATOM 926 CA ASP A 62 5.124 -7.294 -3.422 1.00 10.00 C ATOM 927 C ASP A 62 5.090 -8.696 -2.797 1.00 10.00 C ATOM 928 O ASP A 62 4.632 -9.668 -3.397 1.00 10.00 O ATOM 929 CB ASP A 62 6.547 -6.854 -3.805 1.00 10.00 C ATOM 930 CG ASP A 62 6.885 -7.256 -5.227 1.00 10.00 C ATOM 931 OD1 ASP A 62 7.029 -8.469 -5.481 1.00 10.00 O ATOM 932 OD2 ASP A 62 6.999 -6.331 -6.065 1.00 10.00 O ATOM 0 H ASP A 62 5.124 -5.508 -2.334 1.00 10.00 H new ATOM 0 HA ASP A 62 4.540 -7.332 -4.341 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.636 -5.773 -3.700 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.265 -7.301 -3.118 1.00 10.00 H new ATOM 937 N LYS A 63 5.498 -8.768 -1.526 1.00 10.00 N ATOM 938 CA LYS A 63 5.576 -9.990 -0.742 1.00 10.00 C ATOM 939 C LYS A 63 4.196 -10.593 -0.446 1.00 10.00 C ATOM 940 O LYS A 63 4.117 -11.779 -0.129 1.00 10.00 O ATOM 941 CB LYS A 63 6.374 -9.702 0.538 1.00 10.00 C ATOM 942 CG LYS A 63 7.115 -10.923 1.091 1.00 10.00 C ATOM 943 CD LYS A 63 8.037 -10.442 2.221 1.00 10.00 C ATOM 944 CE LYS A 63 9.019 -11.528 2.667 1.00 10.00 C ATOM 945 NZ LYS A 63 10.036 -10.971 3.584 1.00 10.00 N ATOM 0 H LYS A 63 5.792 -7.944 -1.002 1.00 10.00 H new ATOM 0 HA LYS A 63 6.095 -10.751 -1.325 1.00 10.00 H new ATOM 0 HB2 LYS A 63 7.096 -8.911 0.335 1.00 10.00 H new ATOM 0 HB3 LYS A 63 5.694 -9.324 1.302 1.00 10.00 H new ATOM 0 HG2 LYS A 63 6.407 -11.662 1.465 1.00 10.00 H new ATOM 0 HG3 LYS A 63 7.695 -11.406 0.305 1.00 10.00 H new ATOM 0 HD2 LYS A 63 8.593 -9.567 1.886 1.00 10.00 H new ATOM 0 HD3 LYS A 63 7.433 -10.129 3.072 1.00 10.00 H new ATOM 0 HE2 LYS A 63 8.477 -12.333 3.163 1.00 10.00 H new ATOM 0 HE3 LYS A 63 9.508 -11.963 1.795 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 10.692 -11.724 3.874 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 10.566 -10.219 3.099 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 9.567 -10.578 4.425 1.00 10.00 H new ATOM 959 N LEU A 64 3.106 -9.820 -0.546 1.00 10.00 N ATOM 960 CA LEU A 64 1.760 -10.385 -0.495 1.00 10.00 C ATOM 961 C LEU A 64 1.480 -11.238 -1.736 1.00 10.00 C ATOM 962 O LEU A 64 0.660 -12.150 -1.657 1.00 10.00 O ATOM 963 CB LEU A 64 0.678 -9.303 -0.347 1.00 10.00 C ATOM 964 CG LEU A 64 0.692 -8.589 1.013 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.206 -7.350 0.979 1.00 10.00 C ATOM 966 CD2 LEU A 64 0.172 -9.517 2.114 1.00 10.00 C ATOM 0 H LEU A 64 3.134 -8.807 -0.662 1.00 10.00 H new ATOM 0 HA LEU A 64 1.719 -11.017 0.392 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.809 -8.563 -1.136 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.301 -9.759 -0.497 1.00 10.00 H new ATOM 0 HG LEU A 64 1.723 -8.301 1.221 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.183 -6.857 1.951 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.153 -6.661 0.215 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.228 -7.648 0.747 1.00 10.00 H new ATOM 0 HD21 LEU A 64 0.190 -8.993 3.070 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -0.850 -9.818 1.884 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.806 -10.402 2.173 1.00 10.00 H new ATOM 978 N GLY A 65 2.135 -10.952 -2.870 1.00 10.00 N ATOM 979 CA GLY A 65 2.020 -11.746 -4.088 1.00 10.00 C ATOM 980 C GLY A 65 1.764 -10.868 -5.312 1.00 10.00 C ATOM 981 O GLY A 65 2.354 -11.086 -6.370 1.00 10.00 O ATOM 0 H GLY A 65 2.764 -10.154 -2.962 1.00 10.00 H new ATOM 0 HA2 GLY A 65 2.935 -12.320 -4.236 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.208 -12.464 -3.979 1.00 10.00 H new ATOM 985 N TYR A 66 0.861 -9.893 -5.172 1.00 10.00 N ATOM 986 CA TYR A 66 0.534 -8.936 -6.231 1.00 10.00 C ATOM 987 C TYR A 66 1.695 -7.953 -6.412 1.00 10.00 C ATOM 988 O TYR A 66 2.709 -8.070 -5.727 1.00 10.00 O ATOM 989 CB TYR A 66 -0.809 -8.226 -5.955 1.00 10.00 C ATOM 990 CG TYR A 66 -1.464 -8.523 -4.621 1.00 10.00 C ATOM 991 CD1 TYR A 66 -2.206 -9.708 -4.444 1.00 10.00 C ATOM 992 CD2 TYR A 66 -1.247 -7.666 -3.530 1.00 10.00 C ATOM 993 CE1 TYR A 66 -2.732 -10.026 -3.179 1.00 10.00 C ATOM 994 CE2 TYR A 66 -1.814 -7.963 -2.284 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.573 -9.130 -2.110 1.00 10.00 C ATOM 996 OH TYR A 66 -3.173 -9.373 -0.911 1.00 10.00 O ATOM 0 H TYR A 66 0.332 -9.745 -4.312 1.00 10.00 H new ATOM 0 HA TYR A 66 0.401 -9.473 -7.170 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.648 -7.150 -6.025 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.508 -8.496 -6.747 1.00 10.00 H new ATOM 0 HD1 TYR A 66 -2.371 -10.372 -5.280 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -0.643 -6.779 -3.651 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -3.257 -10.958 -3.030 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -1.666 -7.290 -1.453 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.764 -8.625 -0.683 1.00 10.00 H new ATOM 1006 N LYS A 67 1.571 -6.987 -7.328 1.00 10.00 N ATOM 1007 CA LYS A 67 2.601 -5.974 -7.550 1.00 10.00 C ATOM 1008 C LYS A 67 2.039 -4.594 -7.238 1.00 10.00 C ATOM 1009 O LYS A 67 0.840 -4.370 -7.363 1.00 10.00 O ATOM 1010 CB LYS A 67 3.137 -6.069 -8.989 1.00 10.00 C ATOM 1011 CG LYS A 67 4.602 -6.516 -9.049 1.00 10.00 C ATOM 1012 CD LYS A 67 4.831 -7.895 -8.412 1.00 10.00 C ATOM 1013 CE LYS A 67 6.263 -8.380 -8.663 1.00 10.00 C ATOM 1014 NZ LYS A 67 6.592 -9.543 -7.817 1.00 10.00 N ATOM 0 H LYS A 67 0.756 -6.888 -7.933 1.00 10.00 H new ATOM 0 HA LYS A 67 3.442 -6.150 -6.879 1.00 10.00 H new ATOM 0 HB2 LYS A 67 2.524 -6.771 -9.554 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.038 -5.098 -9.474 1.00 10.00 H new ATOM 0 HG2 LYS A 67 4.926 -6.543 -10.089 1.00 10.00 H new ATOM 0 HG3 LYS A 67 5.223 -5.779 -8.541 1.00 10.00 H new ATOM 0 HD2 LYS A 67 4.643 -7.841 -7.340 1.00 10.00 H new ATOM 0 HD3 LYS A 67 4.122 -8.613 -8.824 1.00 10.00 H new ATOM 0 HE2 LYS A 67 6.380 -8.647 -9.713 1.00 10.00 H new ATOM 0 HE3 LYS A 67 6.964 -7.570 -8.460 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 7.583 -9.816 -7.973 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 6.454 -9.295 -6.817 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 5.971 -10.339 -8.065 1.00 10.00 H new ATOM 1028 N LEU A 68 2.917 -3.675 -6.831 1.00 10.00 N ATOM 1029 CA LEU A 68 2.613 -2.294 -6.515 1.00 10.00 C ATOM 1030 C LEU A 68 3.767 -1.479 -7.071 1.00 10.00 C ATOM 1031 O LEU A 68 4.876 -1.994 -7.221 1.00 10.00 O ATOM 1032 CB LEU A 68 2.478 -2.126 -4.997 1.00 10.00 C ATOM 1033 CG LEU A 68 2.080 -0.717 -4.514 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.170 -0.833 -3.289 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.311 0.089 -4.074 1.00 10.00 C ATOM 0 H LEU A 68 3.906 -3.893 -6.710 1.00 10.00 H new ATOM 0 HA LEU A 68 1.669 -1.966 -6.949 1.00 10.00 H new ATOM 0 HB2 LEU A 68 1.735 -2.837 -4.636 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.428 -2.394 -4.534 1.00 10.00 H new ATOM 0 HG LEU A 68 1.581 -0.218 -5.345 1.00 10.00 H new ATOM 0 HD11 LEU A 68 0.889 0.164 -2.949 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.273 -1.392 -3.554 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.699 -1.353 -2.491 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.998 1.078 -3.739 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.812 -0.429 -3.256 1.00 10.00 H new ATOM 0 HD23 LEU A 68 3.998 0.191 -4.914 1.00 10.00 H new ATOM 1047 N LYS A 69 3.504 -0.217 -7.378 1.00 10.00 N ATOM 1048 CA LYS A 69 4.476 0.738 -7.867 1.00 10.00 C ATOM 1049 C LYS A 69 4.016 2.131 -7.457 1.00 10.00 C ATOM 1050 O LYS A 69 2.828 2.337 -7.222 1.00 10.00 O ATOM 1051 CB LYS A 69 4.608 0.615 -9.390 1.00 10.00 C ATOM 1052 CG LYS A 69 3.260 0.750 -10.123 1.00 10.00 C ATOM 1053 CD LYS A 69 3.277 1.776 -11.268 1.00 10.00 C ATOM 1054 CE LYS A 69 3.894 1.246 -12.568 1.00 10.00 C ATOM 1055 NZ LYS A 69 5.292 0.812 -12.395 1.00 10.00 N ATOM 0 H LYS A 69 2.569 0.181 -7.288 1.00 10.00 H new ATOM 0 HA LYS A 69 5.460 0.544 -7.439 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.291 1.383 -9.753 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.053 -0.350 -9.634 1.00 10.00 H new ATOM 0 HG2 LYS A 69 2.976 -0.223 -10.524 1.00 10.00 H new ATOM 0 HG3 LYS A 69 2.493 1.035 -9.403 1.00 10.00 H new ATOM 0 HD2 LYS A 69 2.256 2.100 -11.468 1.00 10.00 H new ATOM 0 HD3 LYS A 69 3.833 2.656 -10.946 1.00 10.00 H new ATOM 0 HE2 LYS A 69 3.300 0.408 -12.933 1.00 10.00 H new ATOM 0 HE3 LYS A 69 3.850 2.024 -13.330 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 5.735 0.689 -13.328 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 5.815 1.531 -11.856 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 5.314 -0.091 -11.879 1.00 10.00 H new ATOM 1069 N LEU A 70 4.944 3.082 -7.371 1.00 10.00 N ATOM 1070 CA LEU A 70 4.596 4.456 -7.044 1.00 10.00 C ATOM 1071 C LEU A 70 3.757 5.073 -8.154 1.00 10.00 C ATOM 1072 O LEU A 70 3.948 4.750 -9.327 1.00 10.00 O ATOM 1073 CB LEU A 70 5.855 5.261 -6.684 1.00 10.00 C ATOM 1074 CG LEU A 70 5.781 6.799 -6.780 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.864 7.401 -5.876 1.00 10.00 C ATOM 1076 CD2 LEU A 70 6.035 7.319 -8.206 1.00 10.00 C ATOM 0 H LEU A 70 5.940 2.923 -7.524 1.00 10.00 H new ATOM 0 HA LEU A 70 3.968 4.475 -6.153 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.136 5.003 -5.663 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.664 4.924 -7.332 1.00 10.00 H new ATOM 0 HG LEU A 70 4.775 7.091 -6.479 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.823 8.489 -5.934 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.695 7.086 -4.846 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.845 7.057 -6.204 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.971 8.407 -8.213 1.00 10.00 H new ATOM 0 HD22 LEU A 70 7.028 7.012 -8.534 1.00 10.00 H new ATOM 0 HD23 LEU A 70 5.286 6.907 -8.882 1.00 10.00 H new ATOM 1088 N LYS A 71 2.837 5.958 -7.761 1.00 10.00 N ATOM 1089 CA LYS A 71 2.035 6.764 -8.661 1.00 10.00 C ATOM 1090 C LYS A 71 2.451 8.228 -8.555 1.00 10.00 C ATOM 1091 O LYS A 71 2.792 8.844 -9.563 1.00 10.00 O ATOM 1092 CB LYS A 71 0.542 6.550 -8.397 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.304 6.850 -9.635 1.00 10.00 C ATOM 1094 CD LYS A 71 -1.733 7.117 -9.158 1.00 10.00 C ATOM 1095 CE LYS A 71 -2.736 7.211 -10.307 1.00 10.00 C ATOM 1096 NZ LYS A 71 -3.145 5.879 -10.801 1.00 10.00 N ATOM 0 H LYS A 71 2.630 6.132 -6.778 1.00 10.00 H new ATOM 0 HA LYS A 71 2.213 6.449 -9.689 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.373 5.520 -8.082 1.00 10.00 H new ATOM 0 HB3 LYS A 71 0.223 7.191 -7.575 1.00 10.00 H new ATOM 0 HG2 LYS A 71 0.090 7.714 -10.169 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.281 6.009 -10.328 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.039 6.321 -8.480 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.753 8.046 -8.588 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -3.617 7.760 -9.974 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.296 7.781 -11.125 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.378 5.940 -11.813 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.366 5.204 -10.665 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.980 5.554 -10.273 1.00 10.00 H new ATOM 1110 N GLY A 72 2.432 8.778 -7.341 1.00 10.00 N ATOM 1111 CA GLY A 72 2.781 10.167 -7.088 1.00 10.00 C ATOM 1112 C GLY A 72 2.213 10.564 -5.734 1.00 10.00 C ATOM 1113 O GLY A 72 2.061 9.701 -4.871 1.00 10.00 O ATOM 0 H GLY A 72 2.171 8.263 -6.500 1.00 10.00 H new ATOM 0 HA2 GLY A 72 3.864 10.294 -7.098 1.00 10.00 H new ATOM 0 HA3 GLY A 72 2.378 10.808 -7.872 1.00 10.00 H new ATOM 1117 N GLU A 73 1.883 11.841 -5.559 1.00 10.00 N ATOM 1118 CA GLU A 73 1.405 12.423 -4.320 1.00 10.00 C ATOM 1119 C GLU A 73 0.414 13.548 -4.639 1.00 10.00 C ATOM 1120 O GLU A 73 0.470 14.141 -5.714 1.00 10.00 O ATOM 1121 CB GLU A 73 2.609 12.897 -3.483 1.00 10.00 C ATOM 1122 CG GLU A 73 3.598 13.818 -4.226 1.00 10.00 C ATOM 1123 CD GLU A 73 4.400 13.106 -5.314 1.00 10.00 C ATOM 1124 OE1 GLU A 73 5.393 12.441 -4.953 1.00 10.00 O ATOM 1125 OE2 GLU A 73 3.967 13.198 -6.485 1.00 10.00 O ATOM 0 H GLU A 73 1.946 12.524 -6.314 1.00 10.00 H new ATOM 0 HA GLU A 73 0.870 11.686 -3.722 1.00 10.00 H new ATOM 0 HB2 GLU A 73 2.237 13.423 -2.604 1.00 10.00 H new ATOM 0 HB3 GLU A 73 3.150 12.021 -3.125 1.00 10.00 H new ATOM 0 HG2 GLU A 73 3.045 14.643 -4.675 1.00 10.00 H new ATOM 0 HG3 GLU A 73 4.289 14.253 -3.504 1.00 10.00 H new ATOM 1132 N GLN A 74 -0.523 13.808 -3.719 1.00 10.00 N ATOM 1133 CA GLN A 74 -1.614 14.766 -3.915 1.00 10.00 C ATOM 1134 C GLN A 74 -1.661 15.809 -2.793 1.00 10.00 C ATOM 1135 O GLN A 74 -1.808 16.994 -3.080 1.00 10.00 O ATOM 1136 CB GLN A 74 -2.956 14.017 -4.007 1.00 10.00 C ATOM 1137 CG GLN A 74 -3.247 13.478 -5.419 1.00 10.00 C ATOM 1138 CD GLN A 74 -3.693 14.569 -6.394 1.00 10.00 C ATOM 1139 OE1 GLN A 74 -3.100 14.769 -7.448 1.00 10.00 O ATOM 1140 NE2 GLN A 74 -4.768 15.287 -6.070 1.00 10.00 N ATOM 0 H GLN A 74 -0.544 13.352 -2.807 1.00 10.00 H new ATOM 0 HA GLN A 74 -1.431 15.298 -4.848 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -2.952 13.187 -3.301 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -3.761 14.687 -3.707 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -2.352 12.994 -5.809 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -4.022 12.714 -5.358 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -5.253 15.111 -5.190 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -5.106 16.013 -6.702 1.00 10.00 H new ATOM 1149 N ASP A 75 -1.617 15.338 -1.538 1.00 10.00 N ATOM 1150 CA ASP A 75 -1.908 16.053 -0.294 1.00 10.00 C ATOM 1151 C ASP A 75 -2.455 17.472 -0.467 1.00 10.00 C ATOM 1152 O ASP A 75 -1.744 18.462 -0.305 1.00 10.00 O ATOM 1153 CB ASP A 75 -0.728 16.035 0.688 1.00 10.00 C ATOM 1154 CG ASP A 75 -1.168 16.569 2.051 1.00 10.00 C ATOM 1155 OD1 ASP A 75 -2.357 16.338 2.379 1.00 10.00 O ATOM 1156 OD2 ASP A 75 -0.325 17.159 2.761 1.00 10.00 O ATOM 0 H ASP A 75 -1.356 14.369 -1.356 1.00 10.00 H new ATOM 0 HA ASP A 75 -2.727 15.480 0.140 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -0.348 15.019 0.793 1.00 10.00 H new ATOM 0 HB3 ASP A 75 0.089 16.642 0.298 1.00 10.00 H new ATOM 1161 N SER A 76 -3.747 17.558 -0.784 1.00 10.00 N ATOM 1162 CA SER A 76 -4.453 18.829 -0.851 1.00 10.00 C ATOM 1163 C SER A 76 -5.942 18.576 -0.631 1.00 10.00 C ATOM 1164 O SER A 76 -6.524 19.069 0.332 1.00 10.00 O ATOM 1165 CB SER A 76 -4.150 19.530 -2.186 1.00 10.00 C ATOM 1166 OG SER A 76 -4.727 20.824 -2.235 1.00 10.00 O ATOM 0 H SER A 76 -4.329 16.749 -1.000 1.00 10.00 H new ATOM 0 HA SER A 76 -4.113 19.504 -0.066 1.00 10.00 H new ATOM 0 HB2 SER A 76 -3.071 19.606 -2.322 1.00 10.00 H new ATOM 0 HB3 SER A 76 -4.533 18.928 -3.010 1.00 10.00 H new ATOM 0 HG SER A 76 -4.515 21.244 -3.095 1.00 10.00 H new ATOM 1172 N ILE A 77 -6.556 17.801 -1.527 1.00 10.00 N ATOM 1173 CA ILE A 77 -7.963 17.437 -1.438 1.00 10.00 C ATOM 1174 C ILE A 77 -8.121 16.169 -0.586 1.00 10.00 C ATOM 1175 O ILE A 77 -7.132 15.499 -0.274 1.00 10.00 O ATOM 1176 CB ILE A 77 -8.535 17.324 -2.867 1.00 10.00 C ATOM 1177 CG1 ILE A 77 -10.074 17.332 -2.875 1.00 10.00 C ATOM 1178 CG2 ILE A 77 -7.985 16.102 -3.618 1.00 10.00 C ATOM 1179 CD1 ILE A 77 -10.639 17.806 -4.217 1.00 10.00 C ATOM 0 H ILE A 77 -6.083 17.407 -2.340 1.00 10.00 H new ATOM 0 HA ILE A 77 -8.545 18.204 -0.927 1.00 10.00 H new ATOM 0 HB ILE A 77 -8.199 18.212 -3.402 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -10.443 16.329 -2.661 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -10.437 17.982 -2.079 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -8.416 16.065 -4.618 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -6.900 16.179 -3.693 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -8.247 15.193 -3.076 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -11.728 17.796 -4.177 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -10.293 18.819 -4.420 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -10.299 17.141 -5.010 1.00 10.00 H new ATOM 1191 N GLU A 78 -9.365 15.857 -0.214 1.00 10.00 N ATOM 1192 CA GLU A 78 -9.739 14.684 0.565 1.00 10.00 C ATOM 1193 C GLU A 78 -9.278 13.396 -0.122 1.00 10.00 C ATOM 1194 O GLU A 78 -8.566 12.584 0.463 1.00 10.00 O ATOM 1195 CB GLU A 78 -11.268 14.673 0.730 1.00 10.00 C ATOM 1196 CG GLU A 78 -11.783 15.834 1.591 1.00 10.00 C ATOM 1197 CD GLU A 78 -11.514 15.583 3.068 1.00 10.00 C ATOM 1198 OE1 GLU A 78 -12.344 14.875 3.676 1.00 10.00 O ATOM 1199 OE2 GLU A 78 -10.478 16.089 3.550 1.00 10.00 O ATOM 0 H GLU A 78 -10.166 16.439 -0.459 1.00 10.00 H new ATOM 0 HA GLU A 78 -9.254 14.732 1.540 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -11.735 14.722 -0.254 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -11.573 13.729 1.182 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -11.300 16.761 1.283 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -12.853 15.963 1.430 1.00 10.00 H new ATOM 1206 N GLY A 79 -9.722 13.203 -1.365 1.00 10.00 N ATOM 1207 CA GLY A 79 -9.517 11.992 -2.137 1.00 10.00 C ATOM 1208 C GLY A 79 -9.987 12.253 -3.563 1.00 10.00 C ATOM 1209 O GLY A 79 -10.248 13.406 -3.915 1.00 10.00 O ATOM 0 H GLY A 79 -10.251 13.913 -1.872 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -8.464 11.709 -2.129 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -10.073 11.163 -1.699 1.00 10.00 H new ATOM 1213 N ARG A 80 -10.088 11.204 -4.378 1.00 10.00 N ATOM 1214 CA ARG A 80 -10.416 11.260 -5.787 1.00 10.00 C ATOM 1215 C ARG A 80 -10.755 9.824 -6.187 1.00 10.00 C ATOM 1216 O ARG A 80 -10.424 8.935 -5.367 1.00 10.00 O ATOM 1217 CB ARG A 80 -9.201 11.798 -6.554 1.00 10.00 C ATOM 1218 CG ARG A 80 -9.477 12.010 -8.045 1.00 10.00 C ATOM 1219 CD ARG A 80 -8.275 12.715 -8.676 1.00 10.00 C ATOM 1220 NE ARG A 80 -8.486 12.946 -10.112 1.00 10.00 N ATOM 1221 CZ ARG A 80 -7.649 13.644 -10.896 1.00 10.00 C ATOM 1222 NH1 ARG A 80 -6.523 14.151 -10.380 1.00 10.00 N ATOM 1223 NH2 ARG A 80 -7.944 13.833 -12.187 1.00 10.00 N ATOM 1224 OXT ARG A 80 -11.330 9.644 -7.282 1.00 10.00 O ATOM 0 H ARG A 80 -9.935 10.250 -4.050 1.00 10.00 H new ATOM 0 HA ARG A 80 -11.254 11.920 -6.010 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -8.889 12.743 -6.111 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -8.370 11.102 -6.440 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -9.653 11.053 -8.536 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -10.378 12.608 -8.180 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -8.104 13.667 -8.173 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -7.379 12.112 -8.530 1.00 10.00 H new ATOM 0 HE ARG A 80 -9.323 12.550 -10.541 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -6.303 14.006 -9.394 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -5.884 14.682 -10.972 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -8.805 13.447 -12.575 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -7.308 14.363 -12.783 1.00 10.00 H new TER 1238 ARG A 80 HETATM 1239 CU CU1 A 81 -7.942 -12.454 -2.072 1.00 10.00 CU