USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 560 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 36 MET CE :methyl 169:sc= -1.57 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.8 K(o=-3.4,f=-1) USER MOD Set 2.1: A 28 THR OG1 : rot -134:sc= 0.099! USER MOD Set 2.2: A 29 THR OG1 : rot -103:sc= 0.107 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 137:sc= -0.12 (180deg=-0.893) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0.026) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 8 GLN : amide:sc= -3.12 K(o=-3.1,f=-8.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.396 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -4.57 K(o=-4.6,f=-10!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.023 X(o=-0.023,f=-0.17) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.8!) USER MOD Single : A 60 ASN : amide:sc= -10.7! C(o=-11!,f=-18!) USER MOD Single : A 62 THR OG1 : rot 17:sc= -0.0297! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -27.938 -23.827 -4.983 1.00 0.00 N ATOM 2 CA MET A 0 -28.600 -23.243 -3.829 1.00 0.00 C ATOM 3 C MET A 0 -27.665 -22.288 -3.085 1.00 0.00 C ATOM 4 O MET A 0 -27.562 -22.342 -1.860 1.00 0.00 O ATOM 5 CB MET A 0 -29.051 -24.357 -2.882 1.00 0.00 C ATOM 6 CG MET A 0 -27.856 -25.175 -2.389 1.00 0.00 C ATOM 7 SD MET A 0 -28.427 -26.624 -1.516 1.00 0.00 S ATOM 8 CE MET A 0 -28.084 -27.878 -2.739 1.00 0.00 C ATOM 0 H1 MET A 0 -28.160 -24.842 -5.034 1.00 0.00 H new ATOM 0 H2 MET A 0 -28.270 -23.356 -5.849 1.00 0.00 H new ATOM 0 H3 MET A 0 -26.909 -23.701 -4.894 1.00 0.00 H new ATOM 0 HA MET A 0 -29.464 -22.677 -4.177 1.00 0.00 H new ATOM 0 HB2 MET A 0 -29.576 -23.925 -2.030 1.00 0.00 H new ATOM 0 HB3 MET A 0 -29.757 -25.011 -3.394 1.00 0.00 H new ATOM 0 HG2 MET A 0 -27.234 -25.471 -3.234 1.00 0.00 H new ATOM 0 HG3 MET A 0 -27.234 -24.566 -1.733 1.00 0.00 H new ATOM 0 HE1 MET A 0 -28.383 -28.853 -2.354 1.00 0.00 H new ATOM 0 HE2 MET A 0 -28.643 -27.661 -3.649 1.00 0.00 H new ATOM 0 HE3 MET A 0 -27.017 -27.887 -2.962 1.00 0.00 H new ATOM 18 N ALA A 1 -27.006 -21.435 -3.856 1.00 0.00 N ATOM 19 CA ALA A 1 -26.083 -20.469 -3.286 1.00 0.00 C ATOM 20 C ALA A 1 -25.234 -19.861 -4.403 1.00 0.00 C ATOM 21 O ALA A 1 -24.961 -20.516 -5.408 1.00 0.00 O ATOM 22 CB ALA A 1 -25.232 -21.149 -2.211 1.00 0.00 C ATOM 0 H ALA A 1 -27.093 -21.393 -4.871 1.00 0.00 H new ATOM 0 HA ALA A 1 -26.627 -19.656 -2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -24.539 -20.424 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -25.880 -21.539 -1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -24.669 -21.969 -2.657 1.00 0.00 H new ATOM 28 N ASP A 2 -24.840 -18.613 -4.191 1.00 0.00 N ATOM 29 CA ASP A 2 -24.027 -17.909 -5.168 1.00 0.00 C ATOM 30 C ASP A 2 -23.723 -16.501 -4.652 1.00 0.00 C ATOM 31 O ASP A 2 -24.416 -15.546 -4.997 1.00 0.00 O ATOM 32 CB ASP A 2 -24.763 -17.774 -6.502 1.00 0.00 C ATOM 33 CG ASP A 2 -23.879 -17.404 -7.695 1.00 0.00 C ATOM 34 OD1 ASP A 2 -22.649 -17.318 -7.484 1.00 0.00 O ATOM 35 OD2 ASP A 2 -24.451 -17.216 -8.790 1.00 0.00 O ATOM 0 H ASP A 2 -25.069 -18.072 -3.357 1.00 0.00 H new ATOM 0 HA ASP A 2 -23.110 -18.479 -5.318 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -25.265 -18.717 -6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -25.540 -17.017 -6.396 1.00 0.00 H new ATOM 40 N GLN A 3 -22.685 -16.418 -3.832 1.00 0.00 N ATOM 41 CA GLN A 3 -22.280 -15.143 -3.265 1.00 0.00 C ATOM 42 C GLN A 3 -21.084 -15.333 -2.331 1.00 0.00 C ATOM 43 O GLN A 3 -21.130 -16.154 -1.416 1.00 0.00 O ATOM 44 CB GLN A 3 -23.446 -14.473 -2.534 1.00 0.00 C ATOM 45 CG GLN A 3 -23.386 -12.952 -2.684 1.00 0.00 C ATOM 46 CD GLN A 3 -23.885 -12.256 -1.416 1.00 0.00 C ATOM 47 OE1 GLN A 3 -23.227 -12.233 -0.389 1.00 0.00 O ATOM 48 NE2 GLN A 3 -25.083 -11.692 -1.544 1.00 0.00 N ATOM 0 H GLN A 3 -22.113 -17.213 -3.547 1.00 0.00 H new ATOM 0 HA GLN A 3 -21.978 -14.485 -4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -24.391 -14.844 -2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -23.418 -14.739 -1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -22.362 -12.644 -2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -23.992 -12.643 -3.535 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -25.581 -11.748 -2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -25.504 -11.203 -0.754 1.00 0.00 H new ATOM 57 N LEU A 4 -20.040 -14.561 -2.594 1.00 0.00 N ATOM 58 CA LEU A 4 -18.833 -14.634 -1.788 1.00 0.00 C ATOM 59 C LEU A 4 -19.019 -13.797 -0.521 1.00 0.00 C ATOM 60 O LEU A 4 -20.049 -13.148 -0.347 1.00 0.00 O ATOM 61 CB LEU A 4 -17.610 -14.234 -2.616 1.00 0.00 C ATOM 62 CG LEU A 4 -17.757 -12.964 -3.458 1.00 0.00 C ATOM 63 CD1 LEU A 4 -16.527 -12.066 -3.313 1.00 0.00 C ATOM 64 CD2 LEU A 4 -18.048 -13.307 -4.920 1.00 0.00 C ATOM 0 H LEU A 4 -20.005 -13.882 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 4 -18.650 -15.660 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.765 -14.102 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -17.360 -15.060 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.612 -12.402 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.656 -11.171 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -16.406 -11.781 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.641 -12.606 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -18.148 -12.387 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.229 -13.901 -5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -18.975 -13.877 -4.982 1.00 0.00 H new ATOM 76 N THR A 5 -18.005 -13.838 0.331 1.00 0.00 N ATOM 77 CA THR A 5 -18.044 -13.091 1.577 1.00 0.00 C ATOM 78 C THR A 5 -16.628 -12.718 2.020 1.00 0.00 C ATOM 79 O THR A 5 -15.686 -12.797 1.232 1.00 0.00 O ATOM 80 CB THR A 5 -18.802 -13.929 2.608 1.00 0.00 C ATOM 81 OG1 THR A 5 -17.782 -14.672 3.269 1.00 0.00 O ATOM 82 CG2 THR A 5 -19.682 -15.000 1.959 1.00 0.00 C ATOM 0 H THR A 5 -17.152 -14.377 0.183 1.00 0.00 H new ATOM 0 HA THR A 5 -18.572 -12.145 1.454 1.00 0.00 H new ATOM 0 HB THR A 5 -19.420 -13.275 3.223 1.00 0.00 H new ATOM 0 HG1 THR A 5 -18.186 -15.242 3.956 1.00 0.00 H new ATOM 0 HG21 THR A 5 -20.198 -15.566 2.735 1.00 0.00 H new ATOM 0 HG22 THR A 5 -20.416 -14.523 1.309 1.00 0.00 H new ATOM 0 HG23 THR A 5 -19.060 -15.674 1.370 1.00 0.00 H new ATOM 90 N GLU A 6 -16.521 -12.320 3.279 1.00 0.00 N ATOM 91 CA GLU A 6 -15.236 -11.935 3.836 1.00 0.00 C ATOM 92 C GLU A 6 -14.166 -12.964 3.464 1.00 0.00 C ATOM 93 O GLU A 6 -13.001 -12.616 3.283 1.00 0.00 O ATOM 94 CB GLU A 6 -15.325 -11.761 5.353 1.00 0.00 C ATOM 95 CG GLU A 6 -16.154 -10.528 5.716 1.00 0.00 C ATOM 96 CD GLU A 6 -15.990 -10.172 7.195 1.00 0.00 C ATOM 97 OE1 GLU A 6 -16.671 -10.825 8.015 1.00 0.00 O ATOM 98 OE2 GLU A 6 -15.187 -9.256 7.473 1.00 0.00 O ATOM 0 H GLU A 6 -17.304 -12.256 3.930 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.951 -10.973 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.773 -12.649 5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.323 -11.666 5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.846 -9.684 5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.205 -10.715 5.498 1.00 0.00 H new ATOM 105 N GLU A 7 -14.602 -14.211 3.360 1.00 0.00 N ATOM 106 CA GLU A 7 -13.696 -15.293 3.013 1.00 0.00 C ATOM 107 C GLU A 7 -12.687 -14.825 1.963 1.00 0.00 C ATOM 108 O GLU A 7 -11.502 -15.147 2.049 1.00 0.00 O ATOM 109 CB GLU A 7 -14.469 -16.519 2.522 1.00 0.00 C ATOM 110 CG GLU A 7 -15.373 -17.075 3.624 1.00 0.00 C ATOM 111 CD GLU A 7 -14.996 -18.518 3.966 1.00 0.00 C ATOM 112 OE1 GLU A 7 -15.171 -19.377 3.075 1.00 0.00 O ATOM 113 OE2 GLU A 7 -14.540 -18.729 5.111 1.00 0.00 O ATOM 0 H GLU A 7 -15.570 -14.496 3.510 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.149 -15.584 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.071 -16.250 1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.769 -17.289 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.291 -16.453 4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.413 -17.034 3.301 1.00 0.00 H new ATOM 120 N GLN A 8 -13.192 -14.072 0.998 1.00 0.00 N ATOM 121 CA GLN A 8 -12.349 -13.556 -0.067 1.00 0.00 C ATOM 122 C GLN A 8 -11.346 -12.544 0.492 1.00 0.00 C ATOM 123 O GLN A 8 -10.155 -12.618 0.196 1.00 0.00 O ATOM 124 CB GLN A 8 -13.193 -12.932 -1.181 1.00 0.00 C ATOM 125 CG GLN A 8 -13.047 -13.719 -2.485 1.00 0.00 C ATOM 126 CD GLN A 8 -14.030 -14.890 -2.532 1.00 0.00 C ATOM 127 OE1 GLN A 8 -15.051 -14.851 -3.199 1.00 0.00 O ATOM 128 NE2 GLN A 8 -13.668 -15.931 -1.788 1.00 0.00 N ATOM 0 H GLN A 8 -14.175 -13.807 0.931 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.794 -14.388 -0.499 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.240 -12.911 -0.880 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.886 -11.898 -1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.222 -13.058 -3.334 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.027 -14.092 -2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.800 -15.899 -1.253 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.258 -16.762 -1.752 1.00 0.00 H new ATOM 137 N ILE A 9 -11.866 -11.624 1.291 1.00 0.00 N ATOM 138 CA ILE A 9 -11.031 -10.599 1.895 1.00 0.00 C ATOM 139 C ILE A 9 -9.860 -11.265 2.622 1.00 0.00 C ATOM 140 O ILE A 9 -8.704 -10.906 2.402 1.00 0.00 O ATOM 141 CB ILE A 9 -11.869 -9.683 2.788 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.561 -8.211 2.507 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.681 -10.036 4.265 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.536 -7.634 1.478 1.00 0.00 C ATOM 0 H ILE A 9 -12.855 -11.567 1.534 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.604 -9.953 1.127 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.921 -9.843 2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.623 -7.639 3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.539 -8.113 2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.288 -9.370 4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.990 -11.067 4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.631 -9.923 4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.295 -6.587 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.454 -8.192 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.555 -7.711 1.858 1.00 0.00 H new ATOM 156 N ALA A 10 -10.200 -12.221 3.473 1.00 0.00 N ATOM 157 CA ALA A 10 -9.192 -12.940 4.233 1.00 0.00 C ATOM 158 C ALA A 10 -7.973 -13.193 3.344 1.00 0.00 C ATOM 159 O ALA A 10 -6.836 -13.121 3.808 1.00 0.00 O ATOM 160 CB ALA A 10 -9.793 -14.235 4.782 1.00 0.00 C ATOM 0 H ALA A 10 -11.160 -12.515 3.653 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.860 -12.348 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.036 -14.774 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.636 -13.998 5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.135 -14.857 3.955 1.00 0.00 H new ATOM 166 N GLU A 11 -8.252 -13.485 2.082 1.00 0.00 N ATOM 167 CA GLU A 11 -7.192 -13.749 1.123 1.00 0.00 C ATOM 168 C GLU A 11 -6.417 -12.465 0.821 1.00 0.00 C ATOM 169 O GLU A 11 -5.188 -12.452 0.869 1.00 0.00 O ATOM 170 CB GLU A 11 -7.755 -14.365 -0.159 1.00 0.00 C ATOM 171 CG GLU A 11 -8.548 -15.638 0.145 1.00 0.00 C ATOM 172 CD GLU A 11 -9.299 -16.126 -1.095 1.00 0.00 C ATOM 173 OE1 GLU A 11 -8.623 -16.318 -2.129 1.00 0.00 O ATOM 174 OE2 GLU A 11 -10.532 -16.295 -0.981 1.00 0.00 O ATOM 0 H GLU A 11 -9.196 -13.545 1.701 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.503 -14.470 1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.399 -13.643 -0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.939 -14.596 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.871 -16.417 0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.256 -15.446 0.951 1.00 0.00 H new ATOM 181 N PHE A 12 -7.168 -11.417 0.516 1.00 0.00 N ATOM 182 CA PHE A 12 -6.567 -10.131 0.206 1.00 0.00 C ATOM 183 C PHE A 12 -5.573 -9.714 1.292 1.00 0.00 C ATOM 184 O PHE A 12 -4.602 -9.013 1.014 1.00 0.00 O ATOM 185 CB PHE A 12 -7.703 -9.108 0.150 1.00 0.00 C ATOM 186 CG PHE A 12 -8.402 -9.029 -1.209 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.313 -9.975 -1.561 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.113 -8.012 -2.064 1.00 0.00 C ATOM 189 CE1 PHE A 12 -9.963 -9.902 -2.821 1.00 0.00 C ATOM 190 CE2 PHE A 12 -8.762 -7.938 -3.325 1.00 0.00 C ATOM 191 CZ PHE A 12 -9.673 -8.885 -3.677 1.00 0.00 C ATOM 0 H PHE A 12 -8.187 -11.432 0.477 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.027 -10.191 -0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.441 -9.357 0.913 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.305 -8.124 0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.542 -10.783 -0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.390 -7.260 -1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.687 -10.653 -3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.532 -7.130 -4.004 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.166 -8.830 -4.636 1.00 0.00 H new ATOM 201 N LYS A 13 -5.852 -10.162 2.507 1.00 0.00 N ATOM 202 CA LYS A 13 -4.995 -9.844 3.637 1.00 0.00 C ATOM 203 C LYS A 13 -3.532 -9.906 3.195 1.00 0.00 C ATOM 204 O LYS A 13 -2.828 -8.898 3.223 1.00 0.00 O ATOM 205 CB LYS A 13 -5.317 -10.751 4.826 1.00 0.00 C ATOM 206 CG LYS A 13 -6.700 -10.434 5.400 1.00 0.00 C ATOM 207 CD LYS A 13 -6.839 -10.971 6.826 1.00 0.00 C ATOM 208 CE LYS A 13 -7.758 -10.078 7.661 1.00 0.00 C ATOM 209 NZ LYS A 13 -8.050 -10.712 8.966 1.00 0.00 N ATOM 0 H LYS A 13 -6.659 -10.743 2.734 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.182 -8.827 3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.280 -11.794 4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.560 -10.624 5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.861 -9.356 5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.470 -10.873 4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.238 -11.985 6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.856 -11.027 7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.287 -9.108 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.688 -9.897 7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.675 -10.093 9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.519 -11.627 8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.162 -10.862 9.486 1.00 0.00 H new ATOM 223 N GLU A 14 -3.117 -11.100 2.797 1.00 0.00 N ATOM 224 CA GLU A 14 -1.750 -11.306 2.350 1.00 0.00 C ATOM 225 C GLU A 14 -1.348 -10.219 1.351 1.00 0.00 C ATOM 226 O GLU A 14 -0.240 -9.689 1.418 1.00 0.00 O ATOM 227 CB GLU A 14 -1.577 -12.700 1.742 1.00 0.00 C ATOM 228 CG GLU A 14 -1.865 -13.789 2.777 1.00 0.00 C ATOM 229 CD GLU A 14 -1.042 -15.047 2.493 1.00 0.00 C ATOM 230 OE1 GLU A 14 0.096 -15.109 3.007 1.00 0.00 O ATOM 231 OE2 GLU A 14 -1.569 -15.919 1.768 1.00 0.00 O ATOM 0 H GLU A 14 -3.703 -11.934 2.775 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.091 -11.238 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.248 -12.815 0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.561 -12.812 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.634 -13.417 3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.927 -14.035 2.766 1.00 0.00 H new ATOM 238 N ALA A 15 -2.271 -9.919 0.449 1.00 0.00 N ATOM 239 CA ALA A 15 -2.026 -8.904 -0.562 1.00 0.00 C ATOM 240 C ALA A 15 -1.502 -7.635 0.112 1.00 0.00 C ATOM 241 O ALA A 15 -0.420 -7.153 -0.221 1.00 0.00 O ATOM 242 CB ALA A 15 -3.310 -8.655 -1.356 1.00 0.00 C ATOM 0 H ALA A 15 -3.189 -10.360 0.397 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.266 -9.240 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.127 -7.894 -2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.624 -9.580 -1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.095 -8.313 -0.681 1.00 0.00 H new ATOM 248 N PHE A 16 -2.292 -7.130 1.047 1.00 0.00 N ATOM 249 CA PHE A 16 -1.921 -5.926 1.771 1.00 0.00 C ATOM 250 C PHE A 16 -0.531 -6.068 2.394 1.00 0.00 C ATOM 251 O PHE A 16 0.228 -5.101 2.455 1.00 0.00 O ATOM 252 CB PHE A 16 -2.951 -5.739 2.887 1.00 0.00 C ATOM 253 CG PHE A 16 -2.771 -4.450 3.691 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.042 -3.247 3.116 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.340 -4.506 4.980 1.00 0.00 C ATOM 256 CE1 PHE A 16 -2.875 -2.051 3.862 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.173 -3.310 5.725 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.444 -2.107 5.151 1.00 0.00 C ATOM 0 H PHE A 16 -3.188 -7.533 1.320 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.900 -5.074 1.091 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.950 -5.746 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.894 -6.590 3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.384 -3.202 2.093 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.125 -5.461 5.436 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.090 -1.096 3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.831 -3.355 6.748 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.317 -1.197 5.718 1.00 0.00 H new ATOM 268 N SER A 17 -0.239 -7.280 2.842 1.00 0.00 N ATOM 269 CA SER A 17 1.046 -7.561 3.459 1.00 0.00 C ATOM 270 C SER A 17 2.178 -7.221 2.487 1.00 0.00 C ATOM 271 O SER A 17 3.113 -6.505 2.843 1.00 0.00 O ATOM 272 CB SER A 17 1.141 -9.025 3.893 1.00 0.00 C ATOM 273 OG SER A 17 2.082 -9.209 4.947 1.00 0.00 O ATOM 0 H SER A 17 -0.871 -8.079 2.790 1.00 0.00 H new ATOM 0 HA SER A 17 1.141 -6.940 4.350 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.160 -9.371 4.218 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.428 -9.638 3.039 1.00 0.00 H new ATOM 0 HG SER A 17 2.112 -10.156 5.197 1.00 0.00 H new ATOM 279 N LEU A 18 2.057 -7.751 1.278 1.00 0.00 N ATOM 280 CA LEU A 18 3.058 -7.512 0.253 1.00 0.00 C ATOM 281 C LEU A 18 3.544 -6.065 0.347 1.00 0.00 C ATOM 282 O LEU A 18 4.747 -5.813 0.404 1.00 0.00 O ATOM 283 CB LEU A 18 2.512 -7.889 -1.126 1.00 0.00 C ATOM 284 CG LEU A 18 3.131 -9.128 -1.777 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.239 -10.355 -1.578 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.438 -8.876 -3.254 1.00 0.00 C ATOM 0 H LEU A 18 1.281 -8.345 0.986 1.00 0.00 H new ATOM 0 HA LEU A 18 3.927 -8.151 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.437 -8.048 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.655 -7.041 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 18 4.080 -9.336 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.702 -11.222 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.115 -10.546 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.264 -10.173 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.877 -9.772 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.516 -8.629 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.140 -8.047 -3.343 1.00 0.00 H new ATOM 298 N PHE A 19 2.585 -5.151 0.361 1.00 0.00 N ATOM 299 CA PHE A 19 2.900 -3.736 0.448 1.00 0.00 C ATOM 300 C PHE A 19 3.335 -3.357 1.865 1.00 0.00 C ATOM 301 O PHE A 19 4.304 -2.622 2.045 1.00 0.00 O ATOM 302 CB PHE A 19 1.622 -2.970 0.097 1.00 0.00 C ATOM 303 CG PHE A 19 1.281 -2.980 -1.394 1.00 0.00 C ATOM 304 CD1 PHE A 19 1.941 -2.153 -2.249 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.317 -3.816 -1.866 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.624 -2.162 -3.633 1.00 0.00 C ATOM 307 CE2 PHE A 19 0.000 -3.825 -3.250 1.00 0.00 C ATOM 308 CZ PHE A 19 0.660 -2.998 -4.104 1.00 0.00 C ATOM 0 H PHE A 19 1.589 -5.364 0.313 1.00 0.00 H new ATOM 0 HA PHE A 19 3.718 -3.495 -0.231 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.789 -3.400 0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.727 -1.937 0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.706 -1.489 -1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.207 -4.473 -1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.148 -1.505 -4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.765 -4.489 -3.624 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.419 -3.005 -5.157 1.00 0.00 H new ATOM 318 N ASP A 20 2.596 -3.875 2.835 1.00 0.00 N ATOM 319 CA ASP A 20 2.893 -3.600 4.230 1.00 0.00 C ATOM 320 C ASP A 20 3.984 -4.557 4.713 1.00 0.00 C ATOM 321 O ASP A 20 3.695 -5.684 5.112 1.00 0.00 O ATOM 322 CB ASP A 20 1.657 -3.811 5.108 1.00 0.00 C ATOM 323 CG ASP A 20 1.912 -3.724 6.614 1.00 0.00 C ATOM 324 OD1 ASP A 20 3.017 -3.267 6.978 1.00 0.00 O ATOM 325 OD2 ASP A 20 0.995 -4.117 7.368 1.00 0.00 O ATOM 0 H ASP A 20 1.792 -4.484 2.682 1.00 0.00 H new ATOM 0 HA ASP A 20 3.218 -2.563 4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.907 -3.068 4.838 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.232 -4.789 4.882 1.00 0.00 H new ATOM 330 N LYS A 21 5.217 -4.073 4.661 1.00 0.00 N ATOM 331 CA LYS A 21 6.353 -4.871 5.088 1.00 0.00 C ATOM 332 C LYS A 21 6.251 -5.132 6.592 1.00 0.00 C ATOM 333 O LYS A 21 6.142 -6.280 7.021 1.00 0.00 O ATOM 334 CB LYS A 21 7.664 -4.205 4.666 1.00 0.00 C ATOM 335 CG LYS A 21 8.865 -5.082 5.028 1.00 0.00 C ATOM 336 CD LYS A 21 9.661 -4.472 6.183 1.00 0.00 C ATOM 337 CE LYS A 21 11.166 -4.583 5.931 1.00 0.00 C ATOM 338 NZ LYS A 21 11.916 -3.741 6.890 1.00 0.00 N ATOM 0 H LYS A 21 5.453 -3.138 4.329 1.00 0.00 H new ATOM 0 HA LYS A 21 6.343 -5.843 4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.654 -4.022 3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.757 -3.235 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.522 -6.079 5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.511 -5.198 4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.386 -3.425 6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.406 -4.980 7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.481 -5.622 6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.394 -4.274 4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.936 -3.828 6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.628 -2.748 6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.712 -4.055 7.860 1.00 0.00 H new ATOM 352 N ASP A 22 6.291 -4.047 7.352 1.00 0.00 N ATOM 353 CA ASP A 22 6.204 -4.144 8.799 1.00 0.00 C ATOM 354 C ASP A 22 5.023 -5.041 9.177 1.00 0.00 C ATOM 355 O ASP A 22 4.998 -5.615 10.264 1.00 0.00 O ATOM 356 CB ASP A 22 5.975 -2.770 9.431 1.00 0.00 C ATOM 357 CG ASP A 22 6.876 -1.655 8.897 1.00 0.00 C ATOM 358 OD1 ASP A 22 8.107 -1.870 8.900 1.00 0.00 O ATOM 359 OD2 ASP A 22 6.314 -0.612 8.499 1.00 0.00 O ATOM 0 H ASP A 22 6.382 -3.097 6.993 1.00 0.00 H new ATOM 0 HA ASP A 22 7.144 -4.557 9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.935 -2.483 9.274 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.124 -2.853 10.508 1.00 0.00 H new ATOM 364 N GLY A 23 4.074 -5.133 8.257 1.00 0.00 N ATOM 365 CA GLY A 23 2.893 -5.950 8.479 1.00 0.00 C ATOM 366 C GLY A 23 2.145 -5.501 9.736 1.00 0.00 C ATOM 367 O GLY A 23 1.316 -6.240 10.267 1.00 0.00 O ATOM 0 H GLY A 23 4.099 -4.655 7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.232 -5.883 7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.183 -6.996 8.578 1.00 0.00 H new ATOM 371 N ASP A 24 2.464 -4.293 10.176 1.00 0.00 N ATOM 372 CA ASP A 24 1.832 -3.737 11.361 1.00 0.00 C ATOM 373 C ASP A 24 0.323 -3.636 11.129 1.00 0.00 C ATOM 374 O ASP A 24 -0.461 -3.716 12.074 1.00 0.00 O ATOM 375 CB ASP A 24 2.359 -2.332 11.659 1.00 0.00 C ATOM 376 CG ASP A 24 2.279 -1.350 10.488 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.802 -1.781 9.417 1.00 0.00 O ATOM 378 OD2 ASP A 24 2.696 -0.189 10.692 1.00 0.00 O ATOM 0 H ASP A 24 3.152 -3.683 9.734 1.00 0.00 H new ATOM 0 HA ASP A 24 2.057 -4.393 12.202 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.798 -1.920 12.498 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.398 -2.410 11.978 1.00 0.00 H new ATOM 383 N GLY A 25 -0.039 -3.462 9.867 1.00 0.00 N ATOM 384 CA GLY A 25 -1.440 -3.349 9.499 1.00 0.00 C ATOM 385 C GLY A 25 -1.705 -2.048 8.739 1.00 0.00 C ATOM 386 O GLY A 25 -2.850 -1.734 8.418 1.00 0.00 O ATOM 0 H GLY A 25 0.614 -3.396 9.086 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.727 -4.200 8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.059 -3.383 10.396 1.00 0.00 H new ATOM 390 N THR A 26 -0.626 -1.326 8.472 1.00 0.00 N ATOM 391 CA THR A 26 -0.727 -0.066 7.756 1.00 0.00 C ATOM 392 C THR A 26 0.373 0.036 6.698 1.00 0.00 C ATOM 393 O THR A 26 1.475 -0.475 6.892 1.00 0.00 O ATOM 394 CB THR A 26 -0.689 1.067 8.784 1.00 0.00 C ATOM 395 OG1 THR A 26 0.466 0.783 9.569 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.846 0.991 9.782 1.00 0.00 C ATOM 0 H THR A 26 0.322 -1.590 8.739 1.00 0.00 H new ATOM 0 HA THR A 26 -1.667 0.004 7.209 1.00 0.00 H new ATOM 0 HB THR A 26 -0.717 2.027 8.268 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.568 1.470 10.261 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.772 1.817 10.489 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.793 1.056 9.247 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.799 0.046 10.323 1.00 0.00 H new ATOM 404 N ILE A 27 0.036 0.698 5.601 1.00 0.00 N ATOM 405 CA ILE A 27 0.981 0.874 4.512 1.00 0.00 C ATOM 406 C ILE A 27 1.312 2.360 4.364 1.00 0.00 C ATOM 407 O ILE A 27 0.421 3.179 4.145 1.00 0.00 O ATOM 408 CB ILE A 27 0.447 0.232 3.230 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.219 -1.269 3.423 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.370 0.524 2.045 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.590 -1.854 2.263 1.00 0.00 C ATOM 0 H ILE A 27 -0.879 1.119 5.443 1.00 0.00 H new ATOM 0 HA ILE A 27 1.916 0.360 4.733 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.521 0.678 3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.179 -1.780 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.307 -1.443 4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.968 0.056 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.438 1.601 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.363 0.123 2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.738 -2.922 2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.559 -1.358 2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.050 -1.700 1.329 1.00 0.00 H new ATOM 423 N THR A 28 2.596 2.664 4.489 1.00 0.00 N ATOM 424 CA THR A 28 3.055 4.037 4.371 1.00 0.00 C ATOM 425 C THR A 28 3.550 4.314 2.950 1.00 0.00 C ATOM 426 O THR A 28 3.118 3.662 2.001 1.00 0.00 O ATOM 427 CB THR A 28 4.122 4.272 5.443 1.00 0.00 C ATOM 428 OG1 THR A 28 4.514 5.629 5.250 1.00 0.00 O ATOM 429 CG2 THR A 28 5.400 3.474 5.182 1.00 0.00 C ATOM 0 H THR A 28 3.333 1.982 4.671 1.00 0.00 H new ATOM 0 HA THR A 28 2.241 4.742 4.541 1.00 0.00 H new ATOM 0 HB THR A 28 3.720 4.004 6.420 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.492 5.693 5.267 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.123 3.677 5.972 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.168 2.409 5.168 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.821 3.766 4.220 1.00 0.00 H new ATOM 437 N THR A 29 4.448 5.283 2.849 1.00 0.00 N ATOM 438 CA THR A 29 5.006 5.654 1.560 1.00 0.00 C ATOM 439 C THR A 29 6.108 4.674 1.153 1.00 0.00 C ATOM 440 O THR A 29 6.039 4.066 0.087 1.00 0.00 O ATOM 441 CB THR A 29 5.486 7.104 1.653 1.00 0.00 C ATOM 442 OG1 THR A 29 6.054 7.199 2.957 1.00 0.00 O ATOM 443 CG2 THR A 29 4.329 8.104 1.677 1.00 0.00 C ATOM 0 H THR A 29 4.803 5.822 3.639 1.00 0.00 H new ATOM 0 HA THR A 29 4.255 5.594 0.772 1.00 0.00 H new ATOM 0 HB THR A 29 6.138 7.325 0.808 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.431 7.666 3.552 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.725 9.117 1.744 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.742 8.003 0.764 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.694 7.905 2.540 1.00 0.00 H new ATOM 451 N LYS A 30 7.098 4.551 2.025 1.00 0.00 N ATOM 452 CA LYS A 30 8.213 3.655 1.770 1.00 0.00 C ATOM 453 C LYS A 30 7.677 2.251 1.480 1.00 0.00 C ATOM 454 O LYS A 30 7.907 1.706 0.402 1.00 0.00 O ATOM 455 CB LYS A 30 9.215 3.704 2.925 1.00 0.00 C ATOM 456 CG LYS A 30 10.643 3.486 2.422 1.00 0.00 C ATOM 457 CD LYS A 30 11.667 3.947 3.461 1.00 0.00 C ATOM 458 CE LYS A 30 12.944 3.107 3.382 1.00 0.00 C ATOM 459 NZ LYS A 30 14.140 3.969 3.513 1.00 0.00 N ATOM 0 H LYS A 30 7.151 5.057 2.909 1.00 0.00 H new ATOM 0 HA LYS A 30 8.765 3.975 0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.147 4.668 3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.964 2.940 3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.796 2.430 2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.792 4.034 1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.908 4.998 3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.237 3.869 4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.942 2.356 4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.976 2.572 2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.998 3.383 3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.149 4.670 2.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.115 4.460 4.429 1.00 0.00 H new ATOM 473 N GLU A 31 6.974 1.707 2.462 1.00 0.00 N ATOM 474 CA GLU A 31 6.404 0.377 2.326 1.00 0.00 C ATOM 475 C GLU A 31 5.774 0.209 0.942 1.00 0.00 C ATOM 476 O GLU A 31 5.817 -0.877 0.364 1.00 0.00 O ATOM 477 CB GLU A 31 5.381 0.103 3.430 1.00 0.00 C ATOM 478 CG GLU A 31 6.046 0.114 4.808 1.00 0.00 C ATOM 479 CD GLU A 31 5.016 -0.122 5.916 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.251 -1.101 5.779 1.00 0.00 O ATOM 481 OE2 GLU A 31 5.018 0.681 6.873 1.00 0.00 O ATOM 0 H GLU A 31 6.786 2.163 3.355 1.00 0.00 H new ATOM 0 HA GLU A 31 7.207 -0.353 2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.594 0.856 3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.906 -0.863 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.815 -0.657 4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.545 1.070 4.968 1.00 0.00 H new ATOM 488 N LEU A 32 5.205 1.299 0.449 1.00 0.00 N ATOM 489 CA LEU A 32 4.567 1.285 -0.857 1.00 0.00 C ATOM 490 C LEU A 32 5.643 1.294 -1.945 1.00 0.00 C ATOM 491 O LEU A 32 5.646 0.437 -2.826 1.00 0.00 O ATOM 492 CB LEU A 32 3.564 2.434 -0.975 1.00 0.00 C ATOM 493 CG LEU A 32 2.307 2.145 -1.798 1.00 0.00 C ATOM 494 CD1 LEU A 32 1.094 1.934 -0.891 1.00 0.00 C ATOM 495 CD2 LEU A 32 2.064 3.245 -2.833 1.00 0.00 C ATOM 0 H LEU A 32 5.172 2.198 0.930 1.00 0.00 H new ATOM 0 HA LEU A 32 3.987 0.371 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.257 2.727 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.074 3.291 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 32 2.464 1.216 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.214 1.730 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.279 1.089 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.923 2.832 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.165 3.015 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.937 4.201 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.918 3.304 -3.508 1.00 0.00 H new ATOM 507 N GLY A 33 6.531 2.273 -1.846 1.00 0.00 N ATOM 508 CA GLY A 33 7.609 2.404 -2.811 1.00 0.00 C ATOM 509 C GLY A 33 8.507 1.166 -2.802 1.00 0.00 C ATOM 510 O GLY A 33 9.321 0.978 -3.705 1.00 0.00 O ATOM 0 H GLY A 33 6.526 2.982 -1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.193 2.549 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.202 3.289 -2.581 1.00 0.00 H new ATOM 514 N THR A 34 8.329 0.353 -1.771 1.00 0.00 N ATOM 515 CA THR A 34 9.113 -0.863 -1.632 1.00 0.00 C ATOM 516 C THR A 34 8.703 -1.886 -2.693 1.00 0.00 C ATOM 517 O THR A 34 9.462 -2.162 -3.621 1.00 0.00 O ATOM 518 CB THR A 34 8.946 -1.372 -0.200 1.00 0.00 C ATOM 519 OG1 THR A 34 10.127 -0.932 0.466 1.00 0.00 O ATOM 520 CG2 THR A 34 9.015 -2.898 -0.109 1.00 0.00 C ATOM 0 H THR A 34 7.653 0.512 -1.024 1.00 0.00 H new ATOM 0 HA THR A 34 10.173 -0.672 -1.802 1.00 0.00 H new ATOM 0 HB THR A 34 7.992 -1.027 0.198 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.100 -1.219 1.403 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.891 -3.207 0.929 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.221 -3.335 -0.715 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.982 -3.241 -0.476 1.00 0.00 H new ATOM 528 N VAL A 35 7.503 -2.421 -2.520 1.00 0.00 N ATOM 529 CA VAL A 35 6.983 -3.408 -3.451 1.00 0.00 C ATOM 530 C VAL A 35 7.179 -2.905 -4.883 1.00 0.00 C ATOM 531 O VAL A 35 7.238 -3.699 -5.821 1.00 0.00 O ATOM 532 CB VAL A 35 5.522 -3.719 -3.121 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.758 -4.154 -4.373 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.421 -4.778 -2.022 1.00 0.00 C ATOM 0 H VAL A 35 6.876 -2.190 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 35 7.530 -4.346 -3.359 1.00 0.00 H new ATOM 0 HB VAL A 35 5.061 -2.804 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.722 -4.369 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.786 -3.354 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.220 -5.049 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.372 -4.980 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.907 -5.695 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.913 -4.414 -1.120 1.00 0.00 H new ATOM 544 N MET A 36 7.274 -1.590 -5.006 1.00 0.00 N ATOM 545 CA MET A 36 7.462 -0.972 -6.308 1.00 0.00 C ATOM 546 C MET A 36 8.868 -1.242 -6.845 1.00 0.00 C ATOM 547 O MET A 36 9.037 -1.560 -8.022 1.00 0.00 O ATOM 548 CB MET A 36 7.240 0.538 -6.193 1.00 0.00 C ATOM 549 CG MET A 36 5.823 0.849 -5.708 1.00 0.00 C ATOM 550 SD MET A 36 4.943 1.781 -6.949 1.00 0.00 S ATOM 551 CE MET A 36 3.501 0.748 -7.149 1.00 0.00 C ATOM 0 H MET A 36 7.224 -0.935 -4.226 1.00 0.00 H new ATOM 0 HA MET A 36 6.740 -1.403 -7.002 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.967 0.964 -5.501 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.408 1.009 -7.162 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.292 -0.078 -5.493 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.864 1.415 -4.778 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.754 1.277 -7.741 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.782 -0.174 -7.658 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.085 0.510 -6.170 1.00 0.00 H new ATOM 561 N ARG A 37 9.843 -1.106 -5.958 1.00 0.00 N ATOM 562 CA ARG A 37 11.229 -1.332 -6.328 1.00 0.00 C ATOM 563 C ARG A 37 11.464 -2.814 -6.628 1.00 0.00 C ATOM 564 O ARG A 37 12.408 -3.166 -7.334 1.00 0.00 O ATOM 565 CB ARG A 37 12.177 -0.889 -5.212 1.00 0.00 C ATOM 566 CG ARG A 37 12.327 0.634 -5.193 1.00 0.00 C ATOM 567 CD ARG A 37 12.210 1.178 -3.768 1.00 0.00 C ATOM 568 NE ARG A 37 11.403 2.419 -3.765 1.00 0.00 N ATOM 569 CZ ARG A 37 11.899 3.638 -4.022 1.00 0.00 C ATOM 570 NH1 ARG A 37 13.200 3.786 -4.303 1.00 0.00 N ATOM 571 NH2 ARG A 37 11.092 4.708 -3.997 1.00 0.00 N ATOM 0 H ARG A 37 9.700 -0.842 -4.983 1.00 0.00 H new ATOM 0 HA ARG A 37 11.434 -0.740 -7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.798 -1.233 -4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.153 -1.353 -5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.293 0.913 -5.615 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.561 1.086 -5.823 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.747 0.432 -3.122 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.202 1.379 -3.364 1.00 0.00 H new ATOM 0 HE ARG A 37 10.408 2.342 -3.554 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.814 2.971 -4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.577 4.713 -4.499 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.101 4.595 -3.783 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.469 5.636 -4.192 1.00 0.00 H new ATOM 585 N SER A 38 10.589 -3.642 -6.078 1.00 0.00 N ATOM 586 CA SER A 38 10.689 -5.078 -6.278 1.00 0.00 C ATOM 587 C SER A 38 9.647 -5.538 -7.299 1.00 0.00 C ATOM 588 O SER A 38 8.996 -6.564 -7.108 1.00 0.00 O ATOM 589 CB SER A 38 10.508 -5.832 -4.959 1.00 0.00 C ATOM 590 OG SER A 38 11.711 -5.867 -4.195 1.00 0.00 O ATOM 0 H SER A 38 9.807 -3.346 -5.494 1.00 0.00 H new ATOM 0 HA SER A 38 11.685 -5.301 -6.659 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.721 -5.356 -4.374 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.180 -6.851 -5.166 1.00 0.00 H new ATOM 0 HG SER A 38 11.554 -6.355 -3.360 1.00 0.00 H new ATOM 596 N LEU A 39 9.520 -4.756 -8.361 1.00 0.00 N ATOM 597 CA LEU A 39 8.568 -5.071 -9.413 1.00 0.00 C ATOM 598 C LEU A 39 8.993 -4.371 -10.705 1.00 0.00 C ATOM 599 O LEU A 39 8.971 -4.973 -11.777 1.00 0.00 O ATOM 600 CB LEU A 39 7.145 -4.728 -8.967 1.00 0.00 C ATOM 601 CG LEU A 39 6.033 -5.612 -9.535 1.00 0.00 C ATOM 602 CD1 LEU A 39 5.387 -6.456 -8.435 1.00 0.00 C ATOM 603 CD2 LEU A 39 5.003 -4.776 -10.296 1.00 0.00 C ATOM 0 H LEU A 39 10.060 -3.905 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 39 8.565 -6.142 -9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.104 -4.781 -7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.938 -3.694 -9.244 1.00 0.00 H new ATOM 0 HG LEU A 39 6.478 -6.303 -10.251 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.600 -7.075 -8.866 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.141 -7.095 -7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.959 -5.800 -7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.224 -5.429 -10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.558 -4.045 -9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.493 -4.258 -11.121 1.00 0.00 H new ATOM 615 N GLY A 40 9.369 -3.108 -10.561 1.00 0.00 N ATOM 616 CA GLY A 40 9.798 -2.320 -11.704 1.00 0.00 C ATOM 617 C GLY A 40 9.224 -0.903 -11.639 1.00 0.00 C ATOM 618 O GLY A 40 8.768 -0.368 -12.649 1.00 0.00 O ATOM 0 H GLY A 40 9.385 -2.611 -9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.887 -2.274 -11.731 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.476 -2.805 -12.626 1.00 0.00 H new ATOM 622 N GLN A 41 9.264 -0.337 -10.442 1.00 0.00 N ATOM 623 CA GLN A 41 8.753 1.007 -10.233 1.00 0.00 C ATOM 624 C GLN A 41 9.623 1.754 -9.219 1.00 0.00 C ATOM 625 O GLN A 41 10.570 1.189 -8.674 1.00 0.00 O ATOM 626 CB GLN A 41 7.291 0.974 -9.782 1.00 0.00 C ATOM 627 CG GLN A 41 6.349 0.893 -10.985 1.00 0.00 C ATOM 628 CD GLN A 41 5.045 0.185 -10.612 1.00 0.00 C ATOM 629 OE1 GLN A 41 4.838 -0.983 -10.899 1.00 0.00 O ATOM 630 NE2 GLN A 41 4.178 0.955 -9.959 1.00 0.00 N ATOM 0 H GLN A 41 9.642 -0.784 -9.607 1.00 0.00 H new ATOM 0 HA GLN A 41 8.794 1.542 -11.182 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.127 0.117 -9.129 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.066 1.867 -9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.131 1.897 -11.349 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.838 0.358 -11.799 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.414 1.925 -9.750 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.277 0.575 -9.667 1.00 0.00 H new ATOM 639 N ASN A 42 9.270 3.011 -8.997 1.00 0.00 N ATOM 640 CA ASN A 42 10.006 3.840 -8.058 1.00 0.00 C ATOM 641 C ASN A 42 9.429 5.257 -8.075 1.00 0.00 C ATOM 642 O ASN A 42 10.113 6.205 -8.458 1.00 0.00 O ATOM 643 CB ASN A 42 11.484 3.927 -8.442 1.00 0.00 C ATOM 644 CG ASN A 42 12.355 4.193 -7.212 1.00 0.00 C ATOM 645 OD1 ASN A 42 12.031 4.992 -6.350 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.477 3.479 -7.180 1.00 0.00 N ATOM 0 H ASN A 42 8.484 3.476 -9.451 1.00 0.00 H new ATOM 0 HA ASN A 42 9.916 3.391 -7.069 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.795 2.997 -8.918 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.627 4.723 -9.173 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.126 3.584 -6.400 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.688 2.827 -7.935 1.00 0.00 H new ATOM 653 N PRO A 43 8.144 5.360 -7.643 1.00 0.00 N ATOM 654 CA PRO A 43 7.467 6.645 -7.605 1.00 0.00 C ATOM 655 C PRO A 43 7.965 7.492 -6.432 1.00 0.00 C ATOM 656 O PRO A 43 7.852 7.086 -5.276 1.00 0.00 O ATOM 657 CB PRO A 43 5.988 6.308 -7.508 1.00 0.00 C ATOM 658 CG PRO A 43 5.919 4.867 -7.029 1.00 0.00 C ATOM 659 CD PRO A 43 7.303 4.259 -7.181 1.00 0.00 C ATOM 0 HA PRO A 43 7.666 7.252 -8.488 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.480 6.976 -6.812 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.497 6.422 -8.475 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.596 4.826 -5.989 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.189 4.305 -7.612 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.664 3.855 -6.235 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.298 3.437 -7.897 1.00 0.00 H new ATOM 667 N THR A 44 8.505 8.654 -6.770 1.00 0.00 N ATOM 668 CA THR A 44 9.021 9.562 -5.759 1.00 0.00 C ATOM 669 C THR A 44 8.079 9.608 -4.554 1.00 0.00 C ATOM 670 O THR A 44 6.896 9.294 -4.673 1.00 0.00 O ATOM 671 CB THR A 44 9.236 10.927 -6.415 1.00 0.00 C ATOM 672 OG1 THR A 44 8.053 11.133 -7.183 1.00 0.00 O ATOM 673 CG2 THR A 44 10.357 10.906 -7.457 1.00 0.00 C ATOM 0 H THR A 44 8.596 8.988 -7.730 1.00 0.00 H new ATOM 0 HA THR A 44 9.979 9.218 -5.370 1.00 0.00 H new ATOM 0 HB THR A 44 9.467 11.666 -5.648 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.107 11.997 -7.641 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.468 11.899 -7.892 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.292 10.612 -6.980 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.110 10.192 -8.242 1.00 0.00 H new ATOM 681 N GLU A 45 8.640 10.004 -3.421 1.00 0.00 N ATOM 682 CA GLU A 45 7.865 10.096 -2.195 1.00 0.00 C ATOM 683 C GLU A 45 6.649 11.000 -2.402 1.00 0.00 C ATOM 684 O GLU A 45 5.618 10.817 -1.756 1.00 0.00 O ATOM 685 CB GLU A 45 8.730 10.598 -1.036 1.00 0.00 C ATOM 686 CG GLU A 45 9.153 9.442 -0.127 1.00 0.00 C ATOM 687 CD GLU A 45 9.656 9.961 1.221 1.00 0.00 C ATOM 688 OE1 GLU A 45 8.969 10.841 1.783 1.00 0.00 O ATOM 689 OE2 GLU A 45 10.717 9.466 1.660 1.00 0.00 O ATOM 0 H GLU A 45 9.622 10.265 -3.326 1.00 0.00 H new ATOM 0 HA GLU A 45 7.511 9.098 -1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.615 11.099 -1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.176 11.337 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.309 8.770 0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.937 8.861 -0.613 1.00 0.00 H new ATOM 696 N ALA A 46 6.808 11.955 -3.307 1.00 0.00 N ATOM 697 CA ALA A 46 5.736 12.887 -3.608 1.00 0.00 C ATOM 698 C ALA A 46 4.604 12.144 -4.320 1.00 0.00 C ATOM 699 O ALA A 46 3.436 12.295 -3.964 1.00 0.00 O ATOM 700 CB ALA A 46 6.286 14.047 -4.440 1.00 0.00 C ATOM 0 H ALA A 46 7.664 12.103 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 46 5.327 13.309 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.481 14.746 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.066 14.560 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.703 13.662 -5.370 1.00 0.00 H new ATOM 706 N GLU A 47 4.990 11.356 -5.313 1.00 0.00 N ATOM 707 CA GLU A 47 4.022 10.589 -6.079 1.00 0.00 C ATOM 708 C GLU A 47 3.201 9.692 -5.149 1.00 0.00 C ATOM 709 O GLU A 47 1.975 9.787 -5.113 1.00 0.00 O ATOM 710 CB GLU A 47 4.713 9.764 -7.167 1.00 0.00 C ATOM 711 CG GLU A 47 3.692 9.185 -8.147 1.00 0.00 C ATOM 712 CD GLU A 47 3.822 9.839 -9.525 1.00 0.00 C ATOM 713 OE1 GLU A 47 4.058 11.066 -9.550 1.00 0.00 O ATOM 714 OE2 GLU A 47 3.682 9.096 -10.521 1.00 0.00 O ATOM 0 H GLU A 47 5.960 11.232 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 47 3.344 11.285 -6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.425 10.389 -7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.282 8.955 -6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.838 8.109 -8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.684 9.339 -7.761 1.00 0.00 H new ATOM 721 N LEU A 48 3.910 8.842 -4.422 1.00 0.00 N ATOM 722 CA LEU A 48 3.263 7.929 -3.495 1.00 0.00 C ATOM 723 C LEU A 48 2.229 8.696 -2.668 1.00 0.00 C ATOM 724 O LEU A 48 1.048 8.352 -2.671 1.00 0.00 O ATOM 725 CB LEU A 48 4.306 7.196 -2.649 1.00 0.00 C ATOM 726 CG LEU A 48 5.277 6.295 -3.413 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.658 6.293 -2.753 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.712 4.882 -3.564 1.00 0.00 C ATOM 0 H LEU A 48 4.927 8.766 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 48 2.725 7.153 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.886 7.938 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.783 6.589 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 48 5.400 6.701 -4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.329 5.645 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.057 7.307 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.572 5.926 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.423 4.262 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.540 4.452 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.770 4.923 -4.111 1.00 0.00 H new ATOM 740 N GLN A 49 2.710 9.722 -1.982 1.00 0.00 N ATOM 741 CA GLN A 49 1.843 10.541 -1.152 1.00 0.00 C ATOM 742 C GLN A 49 0.491 10.745 -1.839 1.00 0.00 C ATOM 743 O GLN A 49 -0.557 10.616 -1.206 1.00 0.00 O ATOM 744 CB GLN A 49 2.501 11.883 -0.828 1.00 0.00 C ATOM 745 CG GLN A 49 2.132 12.348 0.582 1.00 0.00 C ATOM 746 CD GLN A 49 3.090 11.763 1.621 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.301 11.860 1.511 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.482 11.150 2.633 1.00 0.00 N ATOM 0 H GLN A 49 3.690 10.005 -1.984 1.00 0.00 H new ATOM 0 HA GLN A 49 1.676 10.020 -0.210 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.584 11.791 -0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.187 12.631 -1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.160 13.437 0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.111 12.045 0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.463 11.105 2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.034 10.725 3.378 1.00 0.00 H new ATOM 757 N ASP A 50 0.557 11.059 -3.124 1.00 0.00 N ATOM 758 CA ASP A 50 -0.649 11.282 -3.903 1.00 0.00 C ATOM 759 C ASP A 50 -1.413 9.963 -4.042 1.00 0.00 C ATOM 760 O ASP A 50 -2.631 9.926 -3.875 1.00 0.00 O ATOM 761 CB ASP A 50 -0.312 11.783 -5.309 1.00 0.00 C ATOM 762 CG ASP A 50 -1.017 13.077 -5.720 1.00 0.00 C ATOM 763 OD1 ASP A 50 -2.265 13.048 -5.786 1.00 0.00 O ATOM 764 OD2 ASP A 50 -0.292 14.067 -5.959 1.00 0.00 O ATOM 0 H ASP A 50 1.427 11.164 -3.646 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.249 12.031 -3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.765 11.937 -5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.567 11.004 -6.027 1.00 0.00 H new ATOM 769 N MET A 51 -0.665 8.913 -4.347 1.00 0.00 N ATOM 770 CA MET A 51 -1.256 7.595 -4.510 1.00 0.00 C ATOM 771 C MET A 51 -1.925 7.131 -3.215 1.00 0.00 C ATOM 772 O MET A 51 -2.998 6.529 -3.247 1.00 0.00 O ATOM 773 CB MET A 51 -0.170 6.595 -4.911 1.00 0.00 C ATOM 774 CG MET A 51 0.534 7.036 -6.196 1.00 0.00 C ATOM 775 SD MET A 51 2.067 6.142 -6.389 1.00 0.00 S ATOM 776 CE MET A 51 1.785 5.385 -7.981 1.00 0.00 C ATOM 0 H MET A 51 0.345 8.948 -4.486 1.00 0.00 H new ATOM 0 HA MET A 51 -2.016 7.651 -5.289 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.559 6.502 -4.106 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.613 5.610 -5.055 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.112 6.856 -7.055 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.730 8.108 -6.164 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.652 4.785 -8.257 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.903 4.746 -7.929 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.627 6.161 -8.730 1.00 0.00 H new ATOM 786 N ILE A 52 -1.264 7.426 -2.105 1.00 0.00 N ATOM 787 CA ILE A 52 -1.782 7.046 -0.802 1.00 0.00 C ATOM 788 C ILE A 52 -2.966 7.947 -0.446 1.00 0.00 C ATOM 789 O ILE A 52 -3.871 7.532 0.277 1.00 0.00 O ATOM 790 CB ILE A 52 -0.664 7.059 0.243 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.397 6.004 -0.077 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.231 6.892 1.654 1.00 0.00 C ATOM 793 CD1 ILE A 52 1.194 5.630 1.175 1.00 0.00 C ATOM 0 H ILE A 52 -0.374 7.924 -2.081 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.155 6.022 -0.824 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.173 8.031 0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.082 5.115 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.073 6.384 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.416 6.905 2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.919 7.709 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.762 5.943 1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.941 4.879 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.691 6.517 1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.518 5.228 1.930 1.00 0.00 H new ATOM 805 N ASN A 53 -2.922 9.163 -0.970 1.00 0.00 N ATOM 806 CA ASN A 53 -3.980 10.126 -0.716 1.00 0.00 C ATOM 807 C ASN A 53 -5.105 9.921 -1.733 1.00 0.00 C ATOM 808 O ASN A 53 -6.014 10.744 -1.833 1.00 0.00 O ATOM 809 CB ASN A 53 -3.467 11.560 -0.862 1.00 0.00 C ATOM 810 CG ASN A 53 -2.694 11.995 0.385 1.00 0.00 C ATOM 811 OD1 ASN A 53 -2.850 11.451 1.465 1.00 0.00 O ATOM 812 ND2 ASN A 53 -1.855 13.005 0.175 1.00 0.00 N ATOM 0 H ASN A 53 -2.170 9.503 -1.569 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.338 9.973 0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.822 11.632 -1.738 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.306 12.235 -1.028 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.293 13.370 0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.773 13.415 -0.755 1.00 0.00 H new ATOM 819 N GLU A 54 -5.007 8.818 -2.461 1.00 0.00 N ATOM 820 CA GLU A 54 -6.005 8.494 -3.466 1.00 0.00 C ATOM 821 C GLU A 54 -7.015 7.490 -2.907 1.00 0.00 C ATOM 822 O GLU A 54 -8.125 7.369 -3.422 1.00 0.00 O ATOM 823 CB GLU A 54 -5.347 7.960 -4.740 1.00 0.00 C ATOM 824 CG GLU A 54 -4.640 9.081 -5.504 1.00 0.00 C ATOM 825 CD GLU A 54 -5.198 9.215 -6.922 1.00 0.00 C ATOM 826 OE1 GLU A 54 -4.869 8.335 -7.747 1.00 0.00 O ATOM 827 OE2 GLU A 54 -5.941 10.194 -7.149 1.00 0.00 O ATOM 0 H GLU A 54 -4.252 8.138 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.538 9.408 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.629 7.181 -4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.102 7.500 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.763 10.023 -4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.570 8.877 -5.548 1.00 0.00 H new ATOM 834 N VAL A 55 -6.593 6.795 -1.861 1.00 0.00 N ATOM 835 CA VAL A 55 -7.446 5.805 -1.227 1.00 0.00 C ATOM 836 C VAL A 55 -7.726 6.228 0.216 1.00 0.00 C ATOM 837 O VAL A 55 -8.842 6.069 0.709 1.00 0.00 O ATOM 838 CB VAL A 55 -6.806 4.419 -1.331 1.00 0.00 C ATOM 839 CG1 VAL A 55 -7.373 3.641 -2.520 1.00 0.00 C ATOM 840 CG2 VAL A 55 -5.283 4.524 -1.419 1.00 0.00 C ATOM 0 H VAL A 55 -5.671 6.898 -1.437 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.406 5.744 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.051 3.867 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.901 2.660 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.449 3.520 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.173 4.188 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.853 3.525 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.009 5.103 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.900 5.019 -0.527 1.00 0.00 H new ATOM 850 N ASP A 56 -6.693 6.759 0.854 1.00 0.00 N ATOM 851 CA ASP A 56 -6.813 7.206 2.231 1.00 0.00 C ATOM 852 C ASP A 56 -7.700 8.452 2.283 1.00 0.00 C ATOM 853 O ASP A 56 -7.200 9.575 2.273 1.00 0.00 O ATOM 854 CB ASP A 56 -5.446 7.575 2.812 1.00 0.00 C ATOM 855 CG ASP A 56 -5.490 8.288 4.165 1.00 0.00 C ATOM 856 OD1 ASP A 56 -6.455 8.026 4.914 1.00 0.00 O ATOM 857 OD2 ASP A 56 -4.556 9.079 4.420 1.00 0.00 O ATOM 0 H ASP A 56 -5.769 6.890 0.442 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.245 6.392 2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.855 6.665 2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.925 8.213 2.099 1.00 0.00 H new ATOM 862 N ALA A 57 -9.002 8.210 2.337 1.00 0.00 N ATOM 863 CA ALA A 57 -9.964 9.298 2.390 1.00 0.00 C ATOM 864 C ALA A 57 -9.970 9.898 3.797 1.00 0.00 C ATOM 865 O ALA A 57 -10.551 10.960 4.020 1.00 0.00 O ATOM 866 CB ALA A 57 -11.341 8.782 1.969 1.00 0.00 C ATOM 0 H ALA A 57 -9.413 7.277 2.345 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.687 10.091 1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.063 9.598 2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.288 8.393 0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.654 7.987 2.646 1.00 0.00 H new ATOM 872 N ASP A 58 -9.318 9.193 4.710 1.00 0.00 N ATOM 873 CA ASP A 58 -9.242 9.644 6.089 1.00 0.00 C ATOM 874 C ASP A 58 -8.150 10.708 6.214 1.00 0.00 C ATOM 875 O ASP A 58 -8.234 11.591 7.066 1.00 0.00 O ATOM 876 CB ASP A 58 -8.885 8.488 7.027 1.00 0.00 C ATOM 877 CG ASP A 58 -7.444 8.494 7.541 1.00 0.00 C ATOM 878 OD1 ASP A 58 -7.091 9.478 8.228 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.729 7.516 7.236 1.00 0.00 O ATOM 0 H ASP A 58 -8.838 8.313 4.522 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.216 10.047 6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.560 8.512 7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.065 7.548 6.506 1.00 0.00 H new ATOM 884 N GLY A 59 -7.151 10.589 5.352 1.00 0.00 N ATOM 885 CA GLY A 59 -6.044 11.531 5.355 1.00 0.00 C ATOM 886 C GLY A 59 -5.138 11.307 6.567 1.00 0.00 C ATOM 887 O GLY A 59 -4.566 12.255 7.103 1.00 0.00 O ATOM 0 H GLY A 59 -7.085 9.855 4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.465 11.420 4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.429 12.551 5.368 1.00 0.00 H new ATOM 891 N ASN A 60 -5.034 10.047 6.964 1.00 0.00 N ATOM 892 CA ASN A 60 -4.207 9.687 8.103 1.00 0.00 C ATOM 893 C ASN A 60 -2.733 9.753 7.698 1.00 0.00 C ATOM 894 O ASN A 60 -1.859 9.911 8.549 1.00 0.00 O ATOM 895 CB ASN A 60 -4.506 8.262 8.572 1.00 0.00 C ATOM 896 CG ASN A 60 -4.241 7.250 7.454 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.941 7.599 6.324 1.00 0.00 O ATOM 898 ND2 ASN A 60 -4.368 5.981 7.832 1.00 0.00 N ATOM 0 H ASN A 60 -5.509 9.263 6.517 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.424 10.385 8.912 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.888 8.023 9.438 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.545 8.191 8.893 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.212 5.230 7.159 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.622 5.759 8.795 1.00 0.00 H new ATOM 905 N GLY A 61 -2.503 9.627 6.399 1.00 0.00 N ATOM 906 CA GLY A 61 -1.150 9.670 5.872 1.00 0.00 C ATOM 907 C GLY A 61 -0.707 8.289 5.385 1.00 0.00 C ATOM 908 O GLY A 61 0.035 8.179 4.410 1.00 0.00 O ATOM 0 H GLY A 61 -3.231 9.495 5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.099 10.383 5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.466 10.024 6.644 1.00 0.00 H new ATOM 912 N THR A 62 -1.180 7.270 6.087 1.00 0.00 N ATOM 913 CA THR A 62 -0.842 5.900 5.739 1.00 0.00 C ATOM 914 C THR A 62 -2.040 5.203 5.091 1.00 0.00 C ATOM 915 O THR A 62 -3.062 5.835 4.827 1.00 0.00 O ATOM 916 CB THR A 62 -0.344 5.200 7.005 1.00 0.00 C ATOM 917 OG1 THR A 62 0.336 4.045 6.518 1.00 0.00 O ATOM 918 CG2 THR A 62 -1.486 4.632 7.849 1.00 0.00 C ATOM 0 H THR A 62 -1.795 7.365 6.895 1.00 0.00 H new ATOM 0 HA THR A 62 -0.045 5.866 4.996 1.00 0.00 H new ATOM 0 HB THR A 62 0.234 5.903 7.604 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.534 4.160 5.565 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.077 4.146 8.735 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.151 5.441 8.153 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.045 3.904 7.262 1.00 0.00 H new ATOM 926 N ILE A 63 -1.875 3.910 4.854 1.00 0.00 N ATOM 927 CA ILE A 63 -2.931 3.121 4.242 1.00 0.00 C ATOM 928 C ILE A 63 -3.207 1.889 5.107 1.00 0.00 C ATOM 929 O ILE A 63 -2.280 1.280 5.640 1.00 0.00 O ATOM 930 CB ILE A 63 -2.578 2.787 2.792 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.363 4.062 1.973 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.635 1.875 2.166 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.471 4.238 0.933 1.00 0.00 C ATOM 0 H ILE A 63 -1.026 3.389 5.075 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.857 3.694 4.197 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.636 2.238 2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.342 4.926 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.395 4.019 1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.360 1.653 1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.696 0.946 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.603 2.375 2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.295 5.151 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.473 3.384 0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.435 4.305 1.437 1.00 0.00 H new ATOM 945 N ASP A 64 -4.485 1.559 5.219 1.00 0.00 N ATOM 946 CA ASP A 64 -4.894 0.410 6.010 1.00 0.00 C ATOM 947 C ASP A 64 -5.368 -0.705 5.075 1.00 0.00 C ATOM 948 O ASP A 64 -5.149 -0.641 3.866 1.00 0.00 O ATOM 949 CB ASP A 64 -6.053 0.769 6.943 1.00 0.00 C ATOM 950 CG ASP A 64 -5.767 1.913 7.918 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.700 2.543 7.756 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.623 2.131 8.803 1.00 0.00 O ATOM 0 H ASP A 64 -5.251 2.066 4.776 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.039 0.087 6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.919 1.036 6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.326 -0.117 7.516 1.00 0.00 H new ATOM 957 N PHE A 65 -6.008 -1.700 5.670 1.00 0.00 N ATOM 958 CA PHE A 65 -6.514 -2.827 4.906 1.00 0.00 C ATOM 959 C PHE A 65 -7.798 -2.453 4.162 1.00 0.00 C ATOM 960 O PHE A 65 -7.958 -2.784 2.988 1.00 0.00 O ATOM 961 CB PHE A 65 -6.826 -3.942 5.906 1.00 0.00 C ATOM 962 CG PHE A 65 -7.338 -5.232 5.261 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.743 -5.713 4.137 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.389 -5.896 5.812 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.219 -6.910 3.539 1.00 0.00 C ATOM 966 CE2 PHE A 65 -8.865 -7.093 5.214 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.270 -7.574 4.090 1.00 0.00 C ATOM 0 H PHE A 65 -6.188 -1.749 6.673 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.775 -3.137 4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.925 -4.166 6.477 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.571 -3.582 6.615 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.909 -5.185 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.862 -5.513 6.704 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.746 -7.293 2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.699 -7.621 5.652 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.632 -8.484 3.635 1.00 0.00 H new ATOM 977 N PRO A 66 -8.703 -1.750 4.894 1.00 0.00 N ATOM 978 CA PRO A 66 -9.967 -1.328 4.316 1.00 0.00 C ATOM 979 C PRO A 66 -9.767 -0.146 3.365 1.00 0.00 C ATOM 980 O PRO A 66 -10.657 0.184 2.583 1.00 0.00 O ATOM 981 CB PRO A 66 -10.850 -0.990 5.506 1.00 0.00 C ATOM 982 CG PRO A 66 -9.908 -0.790 6.681 1.00 0.00 C ATOM 983 CD PRO A 66 -8.547 -1.341 6.287 1.00 0.00 C ATOM 0 HA PRO A 66 -10.428 -2.101 3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.434 -0.089 5.316 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.559 -1.793 5.706 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.833 0.268 6.934 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.286 -1.303 7.565 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.768 -0.586 6.393 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.263 -2.183 6.918 1.00 0.00 H new ATOM 991 N GLU A 67 -8.593 0.460 3.464 1.00 0.00 N ATOM 992 CA GLU A 67 -8.265 1.598 2.622 1.00 0.00 C ATOM 993 C GLU A 67 -7.566 1.129 1.344 1.00 0.00 C ATOM 994 O GLU A 67 -7.677 1.771 0.301 1.00 0.00 O ATOM 995 CB GLU A 67 -7.402 2.609 3.379 1.00 0.00 C ATOM 996 CG GLU A 67 -7.871 2.754 4.828 1.00 0.00 C ATOM 997 CD GLU A 67 -8.854 3.918 4.973 1.00 0.00 C ATOM 998 OE1 GLU A 67 -9.881 3.884 4.261 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.556 4.815 5.791 1.00 0.00 O ATOM 0 H GLU A 67 -7.857 0.184 4.114 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.193 2.098 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.360 2.289 3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.447 3.577 2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.347 1.829 5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.011 2.917 5.478 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.862 0.014 1.468 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.146 -0.548 0.335 1.00 0.00 C ATOM 1008 C PHE A 68 -7.030 -1.524 -0.443 1.00 0.00 C ATOM 1009 O PHE A 68 -6.867 -1.687 -1.651 1.00 0.00 O ATOM 1010 CB PHE A 68 -4.943 -1.307 0.899 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.564 -2.555 0.100 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.319 -3.682 0.199 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.472 -2.538 -0.711 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.968 -4.840 -0.543 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -3.121 -3.697 -1.453 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.876 -4.823 -1.353 1.00 0.00 C ATOM 0 H PHE A 68 -6.772 -0.515 2.335 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.843 0.248 -0.346 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.085 -0.635 0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.160 -1.598 1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.186 -3.696 0.843 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.872 -1.643 -0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.568 -5.734 -0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.254 -3.684 -2.097 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.608 -5.704 -1.917 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.947 -2.149 0.281 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.858 -3.104 -0.327 1.00 0.00 C ATOM 1028 C LEU A 69 -9.445 -2.501 -1.604 1.00 0.00 C ATOM 1029 O LEU A 69 -9.660 -3.209 -2.587 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.915 -3.554 0.683 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.524 -4.723 1.589 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.369 -4.737 2.864 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.605 -6.052 0.834 1.00 0.00 C ATOM 0 H LEU A 69 -8.079 -2.013 1.283 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.323 -4.008 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.172 -2.703 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.817 -3.830 0.136 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.486 -4.586 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.070 -5.578 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.218 -3.806 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.422 -4.837 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.322 -6.867 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.624 -6.209 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.926 -6.028 -0.018 1.00 0.00 H new ATOM 1045 N THR A 70 -9.687 -1.200 -1.549 1.00 0.00 N ATOM 1046 CA THR A 70 -10.245 -0.494 -2.690 1.00 0.00 C ATOM 1047 C THR A 70 -9.224 -0.427 -3.827 1.00 0.00 C ATOM 1048 O THR A 70 -9.584 -0.539 -4.998 1.00 0.00 O ATOM 1049 CB THR A 70 -10.714 0.882 -2.212 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.815 1.649 -3.408 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.648 1.610 -1.391 1.00 0.00 C ATOM 0 H THR A 70 -9.507 -0.616 -0.732 1.00 0.00 H new ATOM 0 HA THR A 70 -11.106 -1.022 -3.099 1.00 0.00 H new ATOM 0 HB THR A 70 -11.619 0.770 -1.615 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.115 2.556 -3.190 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.031 2.581 -1.076 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.398 1.016 -0.512 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.755 1.752 -1.999 1.00 0.00 H new ATOM 1059 N MET A 71 -7.969 -0.243 -3.443 1.00 0.00 N ATOM 1060 CA MET A 71 -6.893 -0.160 -4.416 1.00 0.00 C ATOM 1061 C MET A 71 -6.899 -1.374 -5.346 1.00 0.00 C ATOM 1062 O MET A 71 -6.818 -1.228 -6.565 1.00 0.00 O ATOM 1063 CB MET A 71 -5.550 -0.082 -3.686 1.00 0.00 C ATOM 1064 CG MET A 71 -4.770 1.166 -4.106 1.00 0.00 C ATOM 1065 SD MET A 71 -3.192 0.696 -4.794 1.00 0.00 S ATOM 1066 CE MET A 71 -2.116 1.156 -3.445 1.00 0.00 C ATOM 0 H MET A 71 -7.673 -0.149 -2.471 1.00 0.00 H new ATOM 0 HA MET A 71 -7.042 0.736 -5.019 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.718 -0.065 -2.609 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.962 -0.973 -3.903 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.342 1.732 -4.841 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.621 1.819 -3.246 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.083 0.928 -3.709 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.214 2.224 -3.250 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.393 0.597 -2.551 1.00 0.00 H new ATOM 1076 N MET A 72 -6.997 -2.546 -4.736 1.00 0.00 N ATOM 1077 CA MET A 72 -7.015 -3.785 -5.495 1.00 0.00 C ATOM 1078 C MET A 72 -8.250 -3.860 -6.394 1.00 0.00 C ATOM 1079 O MET A 72 -8.144 -4.184 -7.576 1.00 0.00 O ATOM 1080 CB MET A 72 -7.012 -4.974 -4.531 1.00 0.00 C ATOM 1081 CG MET A 72 -5.706 -5.032 -3.736 1.00 0.00 C ATOM 1082 SD MET A 72 -4.723 -6.420 -4.276 1.00 0.00 S ATOM 1083 CE MET A 72 -3.475 -5.564 -5.224 1.00 0.00 C ATOM 0 H MET A 72 -7.065 -2.664 -3.725 1.00 0.00 H new ATOM 0 HA MET A 72 -6.127 -3.815 -6.127 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.856 -4.893 -3.846 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.143 -5.900 -5.090 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.147 -4.106 -3.871 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.922 -5.122 -2.671 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.772 -6.287 -5.637 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.949 -5.014 -6.037 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.941 -4.868 -4.578 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.394 -3.554 -5.800 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.649 -3.582 -6.533 1.00 0.00 C ATOM 1095 C ALA A 73 -10.561 -2.624 -7.723 1.00 0.00 C ATOM 1096 O ALA A 73 -10.946 -2.976 -8.837 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.800 -3.234 -5.587 1.00 0.00 C ATOM 0 H ALA A 73 -9.479 -3.285 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.842 -4.580 -6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.741 -3.255 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.837 -3.961 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.643 -2.238 -5.174 1.00 0.00 H new ATOM 1103 N ARG A 74 -10.052 -1.433 -7.446 1.00 0.00 N ATOM 1104 CA ARG A 74 -9.909 -0.422 -8.479 1.00 0.00 C ATOM 1105 C ARG A 74 -8.432 -0.222 -8.826 1.00 0.00 C ATOM 1106 O ARG A 74 -7.906 0.882 -8.703 1.00 0.00 O ATOM 1107 CB ARG A 74 -10.505 0.914 -8.030 1.00 0.00 C ATOM 1108 CG ARG A 74 -9.724 1.493 -6.848 1.00 0.00 C ATOM 1109 CD ARG A 74 -9.390 2.967 -7.082 1.00 0.00 C ATOM 1110 NE ARG A 74 -9.865 3.781 -5.941 1.00 0.00 N ATOM 1111 CZ ARG A 74 -9.568 5.076 -5.767 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -8.796 5.713 -6.658 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -10.043 5.735 -4.701 1.00 0.00 N ATOM 0 H ARG A 74 -9.733 -1.145 -6.521 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.449 -0.770 -9.359 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.491 1.620 -8.860 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.548 0.774 -7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.310 1.390 -5.935 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.804 0.926 -6.703 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.314 3.090 -7.204 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.857 3.312 -8.005 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.455 3.328 -5.243 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.434 5.212 -7.469 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.570 6.699 -6.525 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.631 5.251 -4.022 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.817 6.721 -4.568 1.00 0.00 H new ATOM 1127 N LYS A 75 -7.806 -1.309 -9.253 1.00 0.00 N ATOM 1128 CA LYS A 75 -6.400 -1.268 -9.618 1.00 0.00 C ATOM 1129 C LYS A 75 -6.225 -0.381 -10.853 1.00 0.00 C ATOM 1130 O LYS A 75 -7.205 0.087 -11.430 1.00 0.00 O ATOM 1131 CB LYS A 75 -5.851 -2.684 -9.796 1.00 0.00 C ATOM 1132 CG LYS A 75 -5.426 -2.930 -11.246 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.205 -4.421 -11.507 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.860 -4.675 -12.975 1.00 0.00 C ATOM 1135 NZ LYS A 75 -6.079 -5.011 -13.744 1.00 0.00 N ATOM 1136 OXT LYS A 75 -4.968 -0.175 -11.220 1.00 0.00 O ATOM 0 H LYS A 75 -8.247 -2.223 -9.354 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.811 -0.821 -8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.999 -2.833 -9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.610 -3.411 -9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.191 -2.548 -11.923 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.509 -2.380 -11.458 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.400 -4.790 -10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.103 -4.978 -11.239 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.386 -3.791 -13.401 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.140 -5.490 -13.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.826 -5.180 -14.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.515 -5.868 -13.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.754 -4.221 -13.688 1.00 0.00 H new TER 1150 LYS A 75 HETATM 1151 CE CE A 76 3.500 -0.500 7.837 1.00 0.00 CE HETATM 1152 CE CE A 77 -5.734 5.642 6.145 1.00 0.00 CE