USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 695 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 GLN : amide:sc= 0.54 K(o=1.2,f=-1.6!) USER MOD Set 1.2: A 81 THR OG1 : rot 66:sc= 0.691 USER MOD Single : A 1 MET CE :methyl -149:sc= -0.191 (180deg=-1.47!) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.489 (180deg=-0.489) USER MOD Single : A 3 HIS : no HE2:sc= -6.01! C(o=-6!,f=-10!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.0607 X(o=-0.061,f=-0.2) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -0.757 K(o=-0.76,f=-6.7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0407 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -79:sc= -0.588 USER MOD Single : A 87 LYS NZ :NH3+ 174:sc= -5.73! (180deg=-6.49!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.070 11.266 0.936 1.00 0.00 N ATOM 2 CA MET A 1 -0.467 10.555 2.099 1.00 0.00 C ATOM 3 C MET A 1 -1.414 10.647 3.295 1.00 0.00 C ATOM 4 O MET A 1 -1.013 10.494 4.432 1.00 0.00 O ATOM 5 CB MET A 1 0.871 11.203 2.454 1.00 0.00 C ATOM 6 CG MET A 1 1.840 11.028 1.287 1.00 0.00 C ATOM 7 SD MET A 1 3.492 11.576 1.785 1.00 0.00 S ATOM 8 CE MET A 1 3.052 13.286 2.184 1.00 0.00 C ATOM 0 H1 MET A 1 -0.427 11.205 0.121 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.980 10.825 0.693 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.224 12.265 1.181 1.00 0.00 H new ATOM 0 HA MET A 1 -0.305 9.508 1.843 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.730 12.262 2.669 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.282 10.747 3.355 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.870 9.983 0.979 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.498 11.604 0.427 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.903 13.937 1.985 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.206 13.597 1.570 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.781 13.356 3.237 1.00 0.00 H new ATOM 20 N GLN A 2 -2.668 10.898 3.046 1.00 0.00 N ATOM 21 CA GLN A 2 -3.643 11.002 4.167 1.00 0.00 C ATOM 22 C GLN A 2 -3.662 9.691 4.955 1.00 0.00 C ATOM 23 O GLN A 2 -3.767 9.686 6.165 1.00 0.00 O ATOM 24 CB GLN A 2 -5.038 11.277 3.602 1.00 0.00 C ATOM 25 CG GLN A 2 -5.054 12.647 2.921 1.00 0.00 C ATOM 26 CD GLN A 2 -6.434 12.899 2.311 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.211 11.982 2.138 1.00 0.00 O ATOM 28 NE2 GLN A 2 -6.773 14.115 1.978 1.00 0.00 N ATOM 0 H GLN A 2 -3.061 11.036 2.115 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.349 11.817 4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.312 10.501 2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.778 11.248 4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.817 13.427 3.644 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.289 12.688 2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.120 14.885 2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.691 14.295 1.572 1.00 0.00 H new ATOM 37 N HIS A 3 -3.558 8.580 4.274 1.00 0.00 N ATOM 38 CA HIS A 3 -3.564 7.263 4.976 1.00 0.00 C ATOM 39 C HIS A 3 -2.284 6.502 4.626 1.00 0.00 C ATOM 40 O HIS A 3 -2.230 5.291 4.703 1.00 0.00 O ATOM 41 CB HIS A 3 -4.782 6.449 4.530 1.00 0.00 C ATOM 42 CG HIS A 3 -4.655 6.113 3.070 1.00 0.00 C ATOM 43 ND1 HIS A 3 -4.879 7.052 2.072 1.00 0.00 N ATOM 44 CD2 HIS A 3 -4.329 4.948 2.423 1.00 0.00 C ATOM 45 CE1 HIS A 3 -4.686 6.440 0.889 1.00 0.00 C ATOM 46 NE2 HIS A 3 -4.348 5.159 1.049 1.00 0.00 N ATOM 0 H HIS A 3 -3.469 8.528 3.259 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.613 7.422 6.053 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.857 5.535 5.119 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.696 7.017 4.705 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -5.142 8.028 2.210 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.094 4.011 2.907 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.792 6.925 -0.070 1.00 0.00 H new ATOM 55 N ALA A 4 -1.256 7.204 4.236 1.00 0.00 N ATOM 56 CA ALA A 4 0.018 6.524 3.874 1.00 0.00 C ATOM 57 C ALA A 4 0.543 5.736 5.075 1.00 0.00 C ATOM 58 O ALA A 4 1.131 4.684 4.928 1.00 0.00 O ATOM 59 CB ALA A 4 1.054 7.570 3.461 1.00 0.00 C ATOM 0 H ALA A 4 -1.244 8.221 4.152 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.163 5.840 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.987 7.073 3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.684 8.129 2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.231 8.255 4.291 1.00 0.00 H new ATOM 65 N SER A 5 0.338 6.233 6.265 1.00 0.00 N ATOM 66 CA SER A 5 0.833 5.502 7.464 1.00 0.00 C ATOM 67 C SER A 5 0.204 4.110 7.504 1.00 0.00 C ATOM 68 O SER A 5 0.861 3.129 7.792 1.00 0.00 O ATOM 69 CB SER A 5 0.450 6.272 8.728 1.00 0.00 C ATOM 70 OG SER A 5 1.083 5.676 9.852 1.00 0.00 O ATOM 0 H SER A 5 -0.148 7.109 6.457 1.00 0.00 H new ATOM 0 HA SER A 5 1.918 5.411 7.412 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.752 7.315 8.637 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.632 6.263 8.859 1.00 0.00 H new ATOM 0 HG SER A 5 0.840 6.169 10.664 1.00 0.00 H new ATOM 76 N VAL A 6 -1.061 4.014 7.205 1.00 0.00 N ATOM 77 CA VAL A 6 -1.725 2.681 7.214 1.00 0.00 C ATOM 78 C VAL A 6 -1.133 1.820 6.101 1.00 0.00 C ATOM 79 O VAL A 6 -0.938 0.634 6.258 1.00 0.00 O ATOM 80 CB VAL A 6 -3.226 2.850 6.984 1.00 0.00 C ATOM 81 CG1 VAL A 6 -3.870 1.476 6.788 1.00 0.00 C ATOM 82 CG2 VAL A 6 -3.853 3.538 8.198 1.00 0.00 C ATOM 0 H VAL A 6 -1.663 4.799 6.955 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.563 2.200 8.179 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.391 3.459 6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.941 1.596 6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.423 0.985 5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.705 0.867 7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.924 3.659 8.035 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.688 2.929 9.087 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.395 4.517 8.339 1.00 0.00 H new ATOM 92 N ILE A 7 -0.850 2.412 4.973 1.00 0.00 N ATOM 93 CA ILE A 7 -0.274 1.630 3.845 1.00 0.00 C ATOM 94 C ILE A 7 1.047 0.995 4.280 1.00 0.00 C ATOM 95 O ILE A 7 1.260 -0.191 4.119 1.00 0.00 O ATOM 96 CB ILE A 7 -0.022 2.566 2.664 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.352 3.175 2.211 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.602 1.777 1.510 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.095 4.250 1.153 1.00 0.00 C ATOM 0 H ILE A 7 -0.993 3.404 4.785 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.971 0.845 3.552 1.00 0.00 H new ATOM 0 HB ILE A 7 0.660 3.361 2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.999 2.398 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.874 3.609 3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.782 2.445 0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.547 1.342 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.077 0.982 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.044 4.680 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.465 5.033 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.592 3.803 0.295 1.00 0.00 H new ATOM 111 N ALA A 8 1.933 1.771 4.838 1.00 0.00 N ATOM 112 CA ALA A 8 3.234 1.202 5.292 1.00 0.00 C ATOM 113 C ALA A 8 2.969 0.190 6.404 1.00 0.00 C ATOM 114 O ALA A 8 3.539 -0.882 6.439 1.00 0.00 O ATOM 115 CB ALA A 8 4.127 2.326 5.821 1.00 0.00 C ATOM 0 H ALA A 8 1.814 2.771 4.999 1.00 0.00 H new ATOM 0 HA ALA A 8 3.735 0.711 4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.078 1.909 6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.306 3.052 5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.634 2.818 6.659 1.00 0.00 H new ATOM 121 N GLN A 9 2.097 0.527 7.309 1.00 0.00 N ATOM 122 CA GLN A 9 1.769 -0.404 8.423 1.00 0.00 C ATOM 123 C GLN A 9 1.088 -1.651 7.860 1.00 0.00 C ATOM 124 O GLN A 9 1.320 -2.755 8.303 1.00 0.00 O ATOM 125 CB GLN A 9 0.816 0.299 9.395 1.00 0.00 C ATOM 126 CG GLN A 9 0.502 -0.624 10.573 1.00 0.00 C ATOM 127 CD GLN A 9 -1.014 -0.718 10.754 1.00 0.00 C ATOM 128 OE1 GLN A 9 -1.556 -0.212 11.716 1.00 0.00 O ATOM 129 NE2 GLN A 9 -1.725 -1.347 9.859 1.00 0.00 N ATOM 0 H GLN A 9 1.593 1.414 7.326 1.00 0.00 H new ATOM 0 HA GLN A 9 2.682 -0.693 8.943 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.267 1.223 9.756 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.105 0.573 8.881 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.920 -1.615 10.395 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.965 -0.241 11.483 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.269 -1.772 9.052 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.737 -1.414 9.967 1.00 0.00 H new ATOM 138 N PHE A 10 0.234 -1.473 6.896 1.00 0.00 N ATOM 139 CA PHE A 10 -0.490 -2.632 6.306 1.00 0.00 C ATOM 140 C PHE A 10 0.509 -3.614 5.687 1.00 0.00 C ATOM 141 O PHE A 10 0.479 -4.798 5.953 1.00 0.00 O ATOM 142 CB PHE A 10 -1.438 -2.112 5.222 1.00 0.00 C ATOM 143 CG PHE A 10 -2.391 -3.200 4.798 1.00 0.00 C ATOM 144 CD1 PHE A 10 -3.592 -3.379 5.493 1.00 0.00 C ATOM 145 CD2 PHE A 10 -2.084 -4.020 3.707 1.00 0.00 C ATOM 146 CE1 PHE A 10 -4.488 -4.377 5.097 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.979 -5.023 3.312 1.00 0.00 C ATOM 148 CZ PHE A 10 -4.183 -5.199 4.007 1.00 0.00 C ATOM 0 H PHE A 10 0.003 -0.568 6.487 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.054 -3.149 7.082 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.997 -1.255 5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.864 -1.766 4.362 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.827 -2.746 6.336 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.158 -3.880 3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.416 -4.513 5.633 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.741 -5.660 2.473 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.875 -5.969 3.701 1.00 0.00 H new ATOM 158 N VAL A 11 1.386 -3.129 4.854 1.00 0.00 N ATOM 159 CA VAL A 11 2.383 -4.029 4.204 1.00 0.00 C ATOM 160 C VAL A 11 3.454 -4.475 5.209 1.00 0.00 C ATOM 161 O VAL A 11 3.773 -5.641 5.308 1.00 0.00 O ATOM 162 CB VAL A 11 3.044 -3.287 3.037 1.00 0.00 C ATOM 163 CG1 VAL A 11 3.799 -2.064 3.561 1.00 0.00 C ATOM 164 CG2 VAL A 11 4.026 -4.219 2.322 1.00 0.00 C ATOM 0 H VAL A 11 1.457 -2.145 4.593 1.00 0.00 H new ATOM 0 HA VAL A 11 1.869 -4.917 3.837 1.00 0.00 H new ATOM 0 HB VAL A 11 2.272 -2.965 2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.267 -1.540 2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.102 -1.394 4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.567 -2.385 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.494 -3.688 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.794 -4.546 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.490 -5.088 1.940 1.00 0.00 H new ATOM 174 N VAL A 12 4.024 -3.554 5.939 1.00 0.00 N ATOM 175 CA VAL A 12 5.097 -3.913 6.919 1.00 0.00 C ATOM 176 C VAL A 12 4.575 -4.879 7.984 1.00 0.00 C ATOM 177 O VAL A 12 5.289 -5.747 8.446 1.00 0.00 O ATOM 178 CB VAL A 12 5.599 -2.641 7.598 1.00 0.00 C ATOM 179 CG1 VAL A 12 6.532 -3.010 8.751 1.00 0.00 C ATOM 180 CG2 VAL A 12 6.359 -1.783 6.583 1.00 0.00 C ATOM 0 H VAL A 12 3.793 -2.561 5.900 1.00 0.00 H new ATOM 0 HA VAL A 12 5.907 -4.403 6.379 1.00 0.00 H new ATOM 0 HB VAL A 12 4.749 -2.079 7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.890 -2.101 9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.991 -3.618 9.476 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.381 -3.574 8.366 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.717 -0.875 7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.208 -2.345 6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.694 -1.517 5.761 1.00 0.00 H new ATOM 190 N GLU A 13 3.350 -4.732 8.393 1.00 0.00 N ATOM 191 CA GLU A 13 2.806 -5.639 9.445 1.00 0.00 C ATOM 192 C GLU A 13 2.868 -7.089 8.968 1.00 0.00 C ATOM 193 O GLU A 13 3.072 -8.001 9.743 1.00 0.00 O ATOM 194 CB GLU A 13 1.354 -5.263 9.744 1.00 0.00 C ATOM 195 CG GLU A 13 0.817 -6.126 10.884 1.00 0.00 C ATOM 196 CD GLU A 13 -0.673 -5.839 11.083 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.256 -6.434 11.975 1.00 0.00 O ATOM 198 OE2 GLU A 13 -1.205 -5.029 10.343 1.00 0.00 O ATOM 0 H GLU A 13 2.700 -4.026 8.048 1.00 0.00 H new ATOM 0 HA GLU A 13 3.405 -5.534 10.350 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.290 -4.209 10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.742 -5.402 8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.968 -7.181 10.657 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.365 -5.916 11.803 1.00 0.00 H new ATOM 205 N GLU A 14 2.676 -7.310 7.700 1.00 0.00 N ATOM 206 CA GLU A 14 2.704 -8.700 7.171 1.00 0.00 C ATOM 207 C GLU A 14 4.109 -9.303 7.283 1.00 0.00 C ATOM 208 O GLU A 14 4.263 -10.485 7.520 1.00 0.00 O ATOM 209 CB GLU A 14 2.275 -8.686 5.703 1.00 0.00 C ATOM 210 CG GLU A 14 2.169 -10.123 5.192 1.00 0.00 C ATOM 211 CD GLU A 14 1.839 -10.112 3.698 1.00 0.00 C ATOM 212 OE1 GLU A 14 1.693 -11.185 3.136 1.00 0.00 O ATOM 213 OE2 GLU A 14 1.738 -9.031 3.142 1.00 0.00 O ATOM 0 H GLU A 14 2.500 -6.585 7.004 1.00 0.00 H new ATOM 0 HA GLU A 14 2.019 -9.310 7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.316 -8.179 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.997 -8.129 5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.107 -10.651 5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.396 -10.659 5.742 1.00 0.00 H new ATOM 220 N PHE A 15 5.135 -8.519 7.088 1.00 0.00 N ATOM 221 CA PHE A 15 6.518 -9.082 7.155 1.00 0.00 C ATOM 222 C PHE A 15 7.174 -8.771 8.504 1.00 0.00 C ATOM 223 O PHE A 15 7.605 -9.665 9.206 1.00 0.00 O ATOM 224 CB PHE A 15 7.363 -8.479 6.033 1.00 0.00 C ATOM 225 CG PHE A 15 6.617 -8.615 4.732 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.718 -9.788 3.975 1.00 0.00 C ATOM 227 CD2 PHE A 15 5.812 -7.565 4.290 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.009 -9.906 2.774 1.00 0.00 C ATOM 229 CE2 PHE A 15 5.106 -7.679 3.092 1.00 0.00 C ATOM 230 CZ PHE A 15 5.201 -8.851 2.332 1.00 0.00 C ATOM 0 H PHE A 15 5.079 -7.521 6.887 1.00 0.00 H new ATOM 0 HA PHE A 15 6.456 -10.164 7.042 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.571 -7.429 6.240 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.325 -8.988 5.971 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.342 -10.601 4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.735 -6.661 4.877 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.085 -10.810 2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.486 -6.863 2.751 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.652 -8.941 1.406 1.00 0.00 H new ATOM 240 N LEU A 16 7.285 -7.515 8.859 1.00 0.00 N ATOM 241 CA LEU A 16 7.949 -7.163 10.151 1.00 0.00 C ATOM 242 C LEU A 16 7.019 -6.322 11.034 1.00 0.00 C ATOM 243 O LEU A 16 7.067 -5.108 11.019 1.00 0.00 O ATOM 244 CB LEU A 16 9.212 -6.357 9.842 1.00 0.00 C ATOM 245 CG LEU A 16 10.447 -7.212 10.130 1.00 0.00 C ATOM 246 CD1 LEU A 16 10.458 -8.424 9.195 1.00 0.00 C ATOM 247 CD2 LEU A 16 11.710 -6.380 9.899 1.00 0.00 C ATOM 0 H LEU A 16 6.947 -6.723 8.313 1.00 0.00 H new ATOM 0 HA LEU A 16 8.195 -8.080 10.687 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.209 -6.043 8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.235 -5.451 10.447 1.00 0.00 H new ATOM 0 HG LEU A 16 10.420 -7.551 11.166 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.338 -9.034 9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.559 -9.018 9.359 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.485 -8.085 8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.590 -6.990 10.104 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.738 -6.040 8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.704 -5.517 10.564 1.00 0.00 H new ATOM 259 N PRO A 17 6.197 -6.965 11.820 1.00 0.00 N ATOM 260 CA PRO A 17 5.267 -6.286 12.750 1.00 0.00 C ATOM 261 C PRO A 17 5.886 -6.084 14.140 1.00 0.00 C ATOM 262 O PRO A 17 5.407 -5.299 14.934 1.00 0.00 O ATOM 263 CB PRO A 17 4.085 -7.249 12.829 1.00 0.00 C ATOM 264 CG PRO A 17 4.622 -8.601 12.460 1.00 0.00 C ATOM 265 CD PRO A 17 6.042 -8.418 11.906 1.00 0.00 C ATOM 0 HA PRO A 17 4.999 -5.287 12.407 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.658 -7.260 13.832 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.290 -6.946 12.147 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.635 -9.256 13.331 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.982 -9.074 11.716 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.789 -8.862 12.564 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.155 -8.891 10.931 1.00 0.00 H new ATOM 273 N ASP A 18 6.946 -6.790 14.440 1.00 0.00 N ATOM 274 CA ASP A 18 7.589 -6.638 15.775 1.00 0.00 C ATOM 275 C ASP A 18 8.394 -5.339 15.799 1.00 0.00 C ATOM 276 O ASP A 18 8.931 -4.943 16.815 1.00 0.00 O ATOM 277 CB ASP A 18 8.519 -7.821 16.022 1.00 0.00 C ATOM 278 CG ASP A 18 7.693 -9.100 16.172 1.00 0.00 C ATOM 279 OD1 ASP A 18 8.283 -10.169 16.147 1.00 0.00 O ATOM 280 OD2 ASP A 18 6.487 -8.990 16.310 1.00 0.00 O ATOM 0 H ASP A 18 7.392 -7.464 13.817 1.00 0.00 H new ATOM 0 HA ASP A 18 6.826 -6.608 16.553 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.221 -7.924 15.194 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.110 -7.650 16.922 1.00 0.00 H new ATOM 285 N VAL A 19 8.459 -4.668 14.685 1.00 0.00 N ATOM 286 CA VAL A 19 9.201 -3.381 14.615 1.00 0.00 C ATOM 287 C VAL A 19 8.185 -2.270 14.364 1.00 0.00 C ATOM 288 O VAL A 19 7.200 -2.475 13.683 1.00 0.00 O ATOM 289 CB VAL A 19 10.209 -3.428 13.464 1.00 0.00 C ATOM 290 CG1 VAL A 19 11.043 -2.146 13.462 1.00 0.00 C ATOM 291 CG2 VAL A 19 11.133 -4.635 13.647 1.00 0.00 C ATOM 0 H VAL A 19 8.024 -4.960 13.810 1.00 0.00 H new ATOM 0 HA VAL A 19 9.742 -3.201 15.544 1.00 0.00 H new ATOM 0 HB VAL A 19 9.676 -3.516 12.517 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.761 -2.180 12.642 1.00 0.00 H new ATOM 0 HG12 VAL A 19 10.387 -1.285 13.334 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.577 -2.058 14.408 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.852 -4.670 12.828 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.666 -4.545 14.594 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.540 -5.550 13.649 1.00 0.00 H new ATOM 301 N ALA A 20 8.390 -1.102 14.905 1.00 0.00 N ATOM 302 CA ALA A 20 7.395 -0.023 14.674 1.00 0.00 C ATOM 303 C ALA A 20 7.324 0.252 13.165 1.00 0.00 C ATOM 304 O ALA A 20 8.289 0.687 12.574 1.00 0.00 O ATOM 305 CB ALA A 20 7.850 1.246 15.397 1.00 0.00 C ATOM 0 H ALA A 20 9.189 -0.852 15.487 1.00 0.00 H new ATOM 0 HA ALA A 20 6.417 -0.323 15.051 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.123 2.040 15.230 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.931 1.047 16.466 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.821 1.556 15.011 1.00 0.00 H new ATOM 311 N PRO A 21 6.197 0.002 12.532 1.00 0.00 N ATOM 312 CA PRO A 21 6.061 0.243 11.073 1.00 0.00 C ATOM 313 C PRO A 21 6.212 1.725 10.725 1.00 0.00 C ATOM 314 O PRO A 21 6.559 2.084 9.618 1.00 0.00 O ATOM 315 CB PRO A 21 4.662 -0.262 10.704 1.00 0.00 C ATOM 316 CG PRO A 21 3.981 -0.683 11.969 1.00 0.00 C ATOM 317 CD PRO A 21 4.961 -0.524 13.131 1.00 0.00 C ATOM 0 HA PRO A 21 6.843 -0.273 10.516 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.092 0.522 10.205 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.729 -1.099 10.009 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.092 -0.076 12.139 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.650 -1.719 11.893 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.569 0.159 13.885 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.140 -1.478 13.627 1.00 0.00 H new ATOM 325 N ALA A 22 5.954 2.589 11.667 1.00 0.00 N ATOM 326 CA ALA A 22 6.080 4.049 11.402 1.00 0.00 C ATOM 327 C ALA A 22 7.558 4.428 11.268 1.00 0.00 C ATOM 328 O ALA A 22 7.890 5.494 10.787 1.00 0.00 O ATOM 329 CB ALA A 22 5.456 4.830 12.558 1.00 0.00 C ATOM 0 H ALA A 22 5.660 2.345 12.613 1.00 0.00 H new ATOM 0 HA ALA A 22 5.563 4.292 10.474 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.547 5.899 12.366 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.402 4.566 12.648 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.973 4.583 13.485 1.00 0.00 H new ATOM 335 N ASP A 23 8.451 3.575 11.696 1.00 0.00 N ATOM 336 CA ASP A 23 9.900 3.910 11.594 1.00 0.00 C ATOM 337 C ASP A 23 10.445 3.442 10.245 1.00 0.00 C ATOM 338 O ASP A 23 11.621 3.566 9.964 1.00 0.00 O ATOM 339 CB ASP A 23 10.671 3.229 12.729 1.00 0.00 C ATOM 340 CG ASP A 23 10.623 1.707 12.563 1.00 0.00 C ATOM 341 OD1 ASP A 23 10.966 1.018 13.509 1.00 0.00 O ATOM 342 OD2 ASP A 23 10.244 1.254 11.495 1.00 0.00 O ATOM 0 H ASP A 23 8.241 2.666 12.109 1.00 0.00 H new ATOM 0 HA ASP A 23 10.024 4.990 11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.706 3.569 12.730 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.242 3.511 13.690 1.00 0.00 H new ATOM 347 N VAL A 24 9.603 2.912 9.402 1.00 0.00 N ATOM 348 CA VAL A 24 10.078 2.450 8.075 1.00 0.00 C ATOM 349 C VAL A 24 10.268 3.667 7.173 1.00 0.00 C ATOM 350 O VAL A 24 9.488 4.599 7.203 1.00 0.00 O ATOM 351 CB VAL A 24 9.046 1.507 7.457 1.00 0.00 C ATOM 352 CG1 VAL A 24 8.727 0.376 8.437 1.00 0.00 C ATOM 353 CG2 VAL A 24 7.766 2.282 7.141 1.00 0.00 C ATOM 0 H VAL A 24 8.607 2.780 9.578 1.00 0.00 H new ATOM 0 HA VAL A 24 11.022 1.917 8.184 1.00 0.00 H new ATOM 0 HB VAL A 24 9.452 1.085 6.538 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.991 -0.294 7.992 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.637 -0.181 8.659 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.325 0.796 9.359 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.032 1.608 6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.362 2.708 8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.990 3.084 6.437 1.00 0.00 H new ATOM 363 N ASP A 25 11.298 3.678 6.376 1.00 0.00 N ATOM 364 CA ASP A 25 11.524 4.849 5.486 1.00 0.00 C ATOM 365 C ASP A 25 10.403 4.920 4.452 1.00 0.00 C ATOM 366 O ASP A 25 10.546 4.465 3.334 1.00 0.00 O ATOM 367 CB ASP A 25 12.870 4.697 4.774 1.00 0.00 C ATOM 368 CG ASP A 25 14.003 4.788 5.796 1.00 0.00 C ATOM 369 OD1 ASP A 25 15.122 4.456 5.441 1.00 0.00 O ATOM 370 OD2 ASP A 25 13.734 5.190 6.916 1.00 0.00 O ATOM 0 H ASP A 25 11.989 2.932 6.302 1.00 0.00 H new ATOM 0 HA ASP A 25 11.531 5.764 6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.912 3.740 4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.984 5.475 4.019 1.00 0.00 H new ATOM 375 N VAL A 26 9.283 5.488 4.814 1.00 0.00 N ATOM 376 CA VAL A 26 8.154 5.585 3.844 1.00 0.00 C ATOM 377 C VAL A 26 8.581 6.440 2.648 1.00 0.00 C ATOM 378 O VAL A 26 7.794 6.733 1.770 1.00 0.00 O ATOM 379 CB VAL A 26 6.948 6.234 4.527 1.00 0.00 C ATOM 380 CG1 VAL A 26 6.625 5.487 5.822 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.274 7.695 4.851 1.00 0.00 C ATOM 0 H VAL A 26 9.102 5.887 5.735 1.00 0.00 H new ATOM 0 HA VAL A 26 7.884 4.586 3.501 1.00 0.00 H new ATOM 0 HB VAL A 26 6.087 6.189 3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.766 5.952 6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.394 4.446 5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.485 5.530 6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.417 8.160 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.136 7.736 5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.502 8.230 3.929 1.00 0.00 H new ATOM 391 N ASP A 27 9.826 6.830 2.600 1.00 0.00 N ATOM 392 CA ASP A 27 10.308 7.653 1.455 1.00 0.00 C ATOM 393 C ASP A 27 11.109 6.761 0.505 1.00 0.00 C ATOM 394 O ASP A 27 11.720 7.227 -0.437 1.00 0.00 O ATOM 395 CB ASP A 27 11.202 8.782 1.975 1.00 0.00 C ATOM 396 CG ASP A 27 10.362 9.760 2.797 1.00 0.00 C ATOM 397 OD1 ASP A 27 10.947 10.587 3.477 1.00 0.00 O ATOM 398 OD2 ASP A 27 9.146 9.667 2.732 1.00 0.00 O ATOM 0 H ASP A 27 10.531 6.614 3.305 1.00 0.00 H new ATOM 0 HA ASP A 27 9.458 8.085 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.005 8.372 2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.672 9.302 1.140 1.00 0.00 H new ATOM 403 N LEU A 28 11.112 5.480 0.753 1.00 0.00 N ATOM 404 CA LEU A 28 11.873 4.546 -0.121 1.00 0.00 C ATOM 405 C LEU A 28 10.924 3.900 -1.125 1.00 0.00 C ATOM 406 O LEU A 28 9.830 3.493 -0.787 1.00 0.00 O ATOM 407 CB LEU A 28 12.513 3.453 0.737 1.00 0.00 C ATOM 408 CG LEU A 28 13.419 2.570 -0.128 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.776 3.252 -0.317 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.618 1.220 0.563 1.00 0.00 C ATOM 0 H LEU A 28 10.617 5.039 1.528 1.00 0.00 H new ATOM 0 HA LEU A 28 12.648 5.099 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.093 3.904 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.738 2.845 1.204 1.00 0.00 H new ATOM 0 HG LEU A 28 12.954 2.418 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.418 2.621 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.634 4.215 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.244 3.407 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.262 0.589 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.082 1.375 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.652 0.733 0.695 1.00 0.00 H new ATOM 422 N ASP A 29 11.337 3.789 -2.355 1.00 0.00 N ATOM 423 CA ASP A 29 10.455 3.154 -3.365 1.00 0.00 C ATOM 424 C ASP A 29 10.186 1.716 -2.926 1.00 0.00 C ATOM 425 O ASP A 29 11.096 0.937 -2.726 1.00 0.00 O ATOM 426 CB ASP A 29 11.144 3.159 -4.729 1.00 0.00 C ATOM 427 CG ASP A 29 11.304 4.601 -5.216 1.00 0.00 C ATOM 428 OD1 ASP A 29 12.062 4.810 -6.149 1.00 0.00 O ATOM 429 OD2 ASP A 29 10.666 5.470 -4.647 1.00 0.00 O ATOM 0 H ASP A 29 12.242 4.109 -2.701 1.00 0.00 H new ATOM 0 HA ASP A 29 9.518 3.704 -3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.120 2.678 -4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.558 2.585 -5.446 1.00 0.00 H new ATOM 434 N LEU A 30 8.944 1.362 -2.752 1.00 0.00 N ATOM 435 CA LEU A 30 8.626 -0.019 -2.301 1.00 0.00 C ATOM 436 C LEU A 30 8.893 -1.017 -3.429 1.00 0.00 C ATOM 437 O LEU A 30 8.573 -2.185 -3.320 1.00 0.00 O ATOM 438 CB LEU A 30 7.157 -0.100 -1.886 1.00 0.00 C ATOM 439 CG LEU A 30 6.303 0.692 -2.875 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.056 -0.117 -3.234 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.883 2.015 -2.235 1.00 0.00 C ATOM 0 H LEU A 30 8.138 1.968 -2.902 1.00 0.00 H new ATOM 0 HA LEU A 30 9.260 -0.266 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.832 -1.140 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.030 0.298 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 30 6.880 0.890 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.447 0.448 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.354 -1.062 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.478 -0.314 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.274 2.582 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.305 1.815 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.771 2.592 -1.977 1.00 0.00 H new ATOM 453 N VAL A 31 9.479 -0.582 -4.512 1.00 0.00 N ATOM 454 CA VAL A 31 9.756 -1.535 -5.623 1.00 0.00 C ATOM 455 C VAL A 31 10.557 -2.704 -5.064 1.00 0.00 C ATOM 456 O VAL A 31 10.282 -3.854 -5.344 1.00 0.00 O ATOM 457 CB VAL A 31 10.566 -0.841 -6.718 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.024 -1.877 -7.747 1.00 0.00 C ATOM 459 CG2 VAL A 31 9.699 0.211 -7.407 1.00 0.00 C ATOM 0 H VAL A 31 9.775 0.381 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 31 8.817 -1.887 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 31 11.437 -0.359 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.602 -1.383 -8.528 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.644 -2.627 -7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.153 -2.360 -8.190 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.278 0.705 -8.187 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.827 -0.270 -7.851 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.372 0.950 -6.675 1.00 0.00 H new ATOM 469 N ASP A 32 11.531 -2.415 -4.251 1.00 0.00 N ATOM 470 CA ASP A 32 12.333 -3.512 -3.645 1.00 0.00 C ATOM 471 C ASP A 32 11.362 -4.446 -2.928 1.00 0.00 C ATOM 472 O ASP A 32 11.525 -5.649 -2.910 1.00 0.00 O ATOM 473 CB ASP A 32 13.331 -2.931 -2.641 1.00 0.00 C ATOM 474 CG ASP A 32 14.382 -2.105 -3.384 1.00 0.00 C ATOM 475 OD1 ASP A 32 14.433 -2.202 -4.599 1.00 0.00 O ATOM 476 OD2 ASP A 32 15.118 -1.388 -2.726 1.00 0.00 O ATOM 0 H ASP A 32 11.806 -1.471 -3.980 1.00 0.00 H new ATOM 0 HA ASP A 32 12.891 -4.050 -4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.810 -2.307 -1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.812 -3.735 -2.084 1.00 0.00 H new ATOM 481 N ASN A 33 10.335 -3.882 -2.354 1.00 0.00 N ATOM 482 CA ASN A 33 9.314 -4.701 -1.651 1.00 0.00 C ATOM 483 C ASN A 33 8.313 -5.212 -2.680 1.00 0.00 C ATOM 484 O ASN A 33 7.234 -5.658 -2.346 1.00 0.00 O ATOM 485 CB ASN A 33 8.591 -3.847 -0.617 1.00 0.00 C ATOM 486 CG ASN A 33 9.606 -3.275 0.369 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.454 -3.985 0.870 1.00 0.00 O ATOM 488 ND2 ASN A 33 9.560 -2.009 0.660 1.00 0.00 N ATOM 0 H ASN A 33 10.160 -2.877 -2.343 1.00 0.00 H new ATOM 0 HA ASN A 33 9.793 -5.539 -1.144 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.052 -3.038 -1.110 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.851 -4.447 -0.087 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.237 -1.610 1.310 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.847 -1.414 0.238 1.00 0.00 H new ATOM 495 N GLY A 34 8.667 -5.134 -3.937 1.00 0.00 N ATOM 496 CA GLY A 34 7.750 -5.605 -5.013 1.00 0.00 C ATOM 497 C GLY A 34 7.110 -6.925 -4.590 1.00 0.00 C ATOM 498 O GLY A 34 6.129 -7.362 -5.159 1.00 0.00 O ATOM 0 H GLY A 34 9.558 -4.761 -4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.979 -4.858 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.301 -5.737 -5.944 1.00 0.00 H new ATOM 502 N VAL A 35 7.647 -7.557 -3.584 1.00 0.00 N ATOM 503 CA VAL A 35 7.054 -8.840 -3.117 1.00 0.00 C ATOM 504 C VAL A 35 5.559 -8.622 -2.893 1.00 0.00 C ATOM 505 O VAL A 35 4.742 -9.467 -3.194 1.00 0.00 O ATOM 506 CB VAL A 35 7.716 -9.257 -1.800 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.932 -10.406 -1.166 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.151 -9.713 -2.073 1.00 0.00 C ATOM 0 H VAL A 35 8.468 -7.242 -3.067 1.00 0.00 H new ATOM 0 HA VAL A 35 7.213 -9.624 -3.858 1.00 0.00 H new ATOM 0 HB VAL A 35 7.724 -8.407 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.408 -10.698 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.910 -10.084 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.919 -11.257 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.623 -10.010 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.139 -10.561 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.714 -8.894 -2.519 1.00 0.00 H new ATOM 518 N ILE A 36 5.200 -7.482 -2.371 1.00 0.00 N ATOM 519 CA ILE A 36 3.762 -7.187 -2.129 1.00 0.00 C ATOM 520 C ILE A 36 3.052 -6.982 -3.465 1.00 0.00 C ATOM 521 O ILE A 36 1.857 -7.145 -3.583 1.00 0.00 O ATOM 522 CB ILE A 36 3.644 -5.895 -1.326 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.281 -5.854 -0.639 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.769 -4.701 -2.275 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.999 -4.441 -0.125 1.00 0.00 C ATOM 0 H ILE A 36 5.845 -6.739 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 36 3.312 -8.018 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 36 4.434 -5.852 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.502 -6.158 -1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.260 -6.562 0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.685 -3.774 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.737 -4.734 -2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.974 -4.743 -3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.025 -4.419 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.770 -4.153 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.001 -3.742 -0.962 1.00 0.00 H new ATOM 537 N ASP A 37 3.786 -6.596 -4.464 1.00 0.00 N ATOM 538 CA ASP A 37 3.175 -6.340 -5.798 1.00 0.00 C ATOM 539 C ASP A 37 2.464 -7.587 -6.331 1.00 0.00 C ATOM 540 O ASP A 37 1.474 -7.486 -7.028 1.00 0.00 O ATOM 541 CB ASP A 37 4.270 -5.925 -6.782 1.00 0.00 C ATOM 542 CG ASP A 37 3.628 -5.412 -8.071 1.00 0.00 C ATOM 543 OD1 ASP A 37 2.415 -5.280 -8.093 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.358 -5.159 -9.015 1.00 0.00 O ATOM 0 H ASP A 37 4.794 -6.444 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 37 2.438 -5.544 -5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.896 -5.149 -6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.920 -6.773 -6.999 1.00 0.00 H new ATOM 549 N SER A 38 2.969 -8.757 -6.045 1.00 0.00 N ATOM 550 CA SER A 38 2.318 -9.990 -6.578 1.00 0.00 C ATOM 551 C SER A 38 1.550 -10.731 -5.480 1.00 0.00 C ATOM 552 O SER A 38 0.346 -10.877 -5.547 1.00 0.00 O ATOM 553 CB SER A 38 3.390 -10.911 -7.163 1.00 0.00 C ATOM 554 OG SER A 38 3.239 -10.960 -8.590 1.00 0.00 O ATOM 0 H SER A 38 3.797 -8.913 -5.470 1.00 0.00 H new ATOM 0 HA SER A 38 1.607 -9.699 -7.352 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.383 -10.545 -6.902 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.298 -11.912 -6.740 1.00 0.00 H new ATOM 559 N LEU A 39 2.233 -11.224 -4.485 1.00 0.00 N ATOM 560 CA LEU A 39 1.533 -11.981 -3.408 1.00 0.00 C ATOM 561 C LEU A 39 0.713 -11.043 -2.523 1.00 0.00 C ATOM 562 O LEU A 39 -0.460 -11.262 -2.293 1.00 0.00 O ATOM 563 CB LEU A 39 2.563 -12.713 -2.546 1.00 0.00 C ATOM 564 CG LEU A 39 3.054 -13.972 -3.271 1.00 0.00 C ATOM 565 CD1 LEU A 39 1.963 -15.046 -3.249 1.00 0.00 C ATOM 566 CD2 LEU A 39 3.399 -13.629 -4.722 1.00 0.00 C ATOM 0 H LEU A 39 3.243 -11.136 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 39 0.858 -12.697 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.405 -12.054 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.120 -12.985 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 39 3.942 -14.350 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.319 -15.937 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.721 -15.298 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.071 -14.669 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.748 -14.525 -5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.512 -13.245 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.183 -12.872 -4.740 1.00 0.00 H new ATOM 578 N GLY A 40 1.316 -10.008 -2.019 1.00 0.00 N ATOM 579 CA GLY A 40 0.564 -9.067 -1.141 1.00 0.00 C ATOM 580 C GLY A 40 -0.533 -8.372 -1.944 1.00 0.00 C ATOM 581 O GLY A 40 -1.619 -8.133 -1.454 1.00 0.00 O ATOM 0 H GLY A 40 2.296 -9.770 -2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.126 -9.609 -0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.244 -8.326 -0.720 1.00 0.00 H new ATOM 585 N LEU A 41 -0.256 -8.042 -3.172 1.00 0.00 N ATOM 586 CA LEU A 41 -1.280 -7.356 -4.005 1.00 0.00 C ATOM 587 C LEU A 41 -2.518 -8.239 -4.101 1.00 0.00 C ATOM 588 O LEU A 41 -3.635 -7.772 -4.017 1.00 0.00 O ATOM 589 CB LEU A 41 -0.708 -7.109 -5.405 1.00 0.00 C ATOM 590 CG LEU A 41 -1.658 -6.219 -6.218 1.00 0.00 C ATOM 591 CD1 LEU A 41 -0.840 -5.312 -7.139 1.00 0.00 C ATOM 592 CD2 LEU A 41 -2.583 -7.092 -7.075 1.00 0.00 C ATOM 0 H LEU A 41 0.635 -8.217 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.550 -6.402 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.270 -6.633 -5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.560 -8.059 -5.918 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.255 -5.616 -5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.513 -4.679 -7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.179 -4.686 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.245 -5.924 -7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.255 -6.455 -7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.984 -7.696 -7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.168 -7.746 -6.428 1.00 0.00 H new ATOM 604 N LEU A 42 -2.332 -9.517 -4.267 1.00 0.00 N ATOM 605 CA LEU A 42 -3.509 -10.422 -4.357 1.00 0.00 C ATOM 606 C LEU A 42 -4.286 -10.346 -3.043 1.00 0.00 C ATOM 607 O LEU A 42 -5.498 -10.252 -3.029 1.00 0.00 O ATOM 608 CB LEU A 42 -3.034 -11.859 -4.591 1.00 0.00 C ATOM 609 CG LEU A 42 -4.243 -12.775 -4.788 1.00 0.00 C ATOM 610 CD1 LEU A 42 -4.903 -12.472 -6.131 1.00 0.00 C ATOM 611 CD2 LEU A 42 -3.783 -14.235 -4.766 1.00 0.00 C ATOM 0 H LEU A 42 -1.422 -9.972 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.149 -10.120 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.387 -11.900 -5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.442 -12.200 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.961 -12.605 -3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.764 -13.126 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.230 -11.432 -6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.187 -12.641 -6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.643 -14.890 -4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.065 -14.402 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.313 -14.454 -3.807 1.00 0.00 H new ATOM 623 N LYS A 43 -3.593 -10.374 -1.938 1.00 0.00 N ATOM 624 CA LYS A 43 -4.280 -10.290 -0.623 1.00 0.00 C ATOM 625 C LYS A 43 -4.889 -8.898 -0.447 1.00 0.00 C ATOM 626 O LYS A 43 -5.976 -8.744 0.072 1.00 0.00 O ATOM 627 CB LYS A 43 -3.265 -10.548 0.488 1.00 0.00 C ATOM 628 CG LYS A 43 -2.737 -11.979 0.379 1.00 0.00 C ATOM 629 CD LYS A 43 -1.811 -12.275 1.559 1.00 0.00 C ATOM 630 CE LYS A 43 -1.182 -13.658 1.382 1.00 0.00 C ATOM 631 NZ LYS A 43 -1.644 -14.558 2.477 1.00 0.00 N ATOM 0 H LYS A 43 -2.577 -10.452 -1.891 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.074 -11.036 -0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.441 -9.839 0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.730 -10.394 1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.568 -12.684 0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.199 -12.108 -0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.032 -11.515 1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.371 -12.236 2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.459 -14.074 0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.095 -13.579 1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.217 -15.498 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.358 -14.162 3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.680 -14.642 2.444 1.00 0.00 H new ATOM 645 N VAL A 44 -4.187 -7.879 -0.871 1.00 0.00 N ATOM 646 CA VAL A 44 -4.712 -6.491 -0.722 1.00 0.00 C ATOM 647 C VAL A 44 -5.976 -6.312 -1.562 1.00 0.00 C ATOM 648 O VAL A 44 -6.960 -5.763 -1.111 1.00 0.00 O ATOM 649 CB VAL A 44 -3.652 -5.499 -1.194 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.242 -4.089 -1.193 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.450 -5.553 -0.250 1.00 0.00 C ATOM 0 H VAL A 44 -3.271 -7.950 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.952 -6.312 0.326 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.332 -5.757 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.487 -3.378 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.100 -4.053 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.561 -3.829 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.692 -4.845 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.768 -5.293 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.032 -6.560 -0.250 1.00 0.00 H new ATOM 661 N ILE A 45 -5.957 -6.768 -2.782 1.00 0.00 N ATOM 662 CA ILE A 45 -7.155 -6.622 -3.649 1.00 0.00 C ATOM 663 C ILE A 45 -8.333 -7.366 -3.019 1.00 0.00 C ATOM 664 O ILE A 45 -9.424 -6.843 -2.907 1.00 0.00 O ATOM 665 CB ILE A 45 -6.844 -7.209 -5.029 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.387 -6.090 -5.972 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.091 -7.878 -5.604 1.00 0.00 C ATOM 668 CD1 ILE A 45 -5.294 -5.255 -5.299 1.00 0.00 C ATOM 0 H ILE A 45 -5.162 -7.236 -3.216 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.415 -5.568 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.052 -7.951 -4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.010 -6.517 -6.901 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.233 -5.455 -6.233 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.862 -8.293 -6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.414 -8.678 -4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.888 -7.141 -5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.974 -4.462 -5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.685 -4.815 -4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.443 -5.893 -5.060 1.00 0.00 H new ATOM 680 N ALA A 46 -8.121 -8.584 -2.607 1.00 0.00 N ATOM 681 CA ALA A 46 -9.225 -9.366 -1.985 1.00 0.00 C ATOM 682 C ALA A 46 -9.656 -8.702 -0.677 1.00 0.00 C ATOM 683 O ALA A 46 -10.829 -8.584 -0.385 1.00 0.00 O ATOM 684 CB ALA A 46 -8.728 -10.782 -1.692 1.00 0.00 C ATOM 0 H ALA A 46 -7.228 -9.073 -2.674 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.075 -9.402 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.530 -11.362 -1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.419 -11.259 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.880 -10.736 -1.009 1.00 0.00 H new ATOM 690 N TRP A 47 -8.714 -8.270 0.113 1.00 0.00 N ATOM 691 CA TRP A 47 -9.062 -7.613 1.404 1.00 0.00 C ATOM 692 C TRP A 47 -9.660 -6.234 1.136 1.00 0.00 C ATOM 693 O TRP A 47 -10.596 -5.814 1.788 1.00 0.00 O ATOM 694 CB TRP A 47 -7.798 -7.475 2.253 1.00 0.00 C ATOM 695 CG TRP A 47 -7.924 -6.295 3.161 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.496 -6.310 4.387 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.472 -4.930 2.936 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.421 -5.039 4.929 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.798 -4.154 4.070 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.816 -4.299 1.864 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.482 -2.796 4.140 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -6.498 -2.935 1.930 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.829 -2.186 3.065 1.00 0.00 C ATOM 0 H TRP A 47 -7.715 -8.344 -0.080 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.795 -8.218 1.937 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.642 -8.381 2.839 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.927 -7.358 1.608 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.938 -7.172 4.864 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.781 -4.787 5.849 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.555 -4.869 0.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.740 -2.221 5.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.995 -2.460 1.101 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.580 -1.136 3.110 1.00 0.00 H new ATOM 714 N LEU A 48 -9.123 -5.520 0.187 1.00 0.00 N ATOM 715 CA LEU A 48 -9.656 -4.166 -0.115 1.00 0.00 C ATOM 716 C LEU A 48 -11.131 -4.274 -0.504 1.00 0.00 C ATOM 717 O LEU A 48 -11.969 -3.544 -0.011 1.00 0.00 O ATOM 718 CB LEU A 48 -8.862 -3.568 -1.277 1.00 0.00 C ATOM 719 CG LEU A 48 -9.265 -2.114 -1.489 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.511 -1.234 -0.498 1.00 0.00 C ATOM 721 CD2 LEU A 48 -8.912 -1.698 -2.917 1.00 0.00 C ATOM 0 H LEU A 48 -8.338 -5.817 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.562 -3.527 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.794 -3.631 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.045 -4.141 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.338 -2.000 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.796 -0.192 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.759 -1.537 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.438 -1.343 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.198 -0.658 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.839 -1.806 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.447 -2.332 -3.624 1.00 0.00 H new ATOM 733 N GLU A 49 -11.460 -5.190 -1.372 1.00 0.00 N ATOM 734 CA GLU A 49 -12.883 -5.356 -1.776 1.00 0.00 C ATOM 735 C GLU A 49 -13.689 -5.836 -0.570 1.00 0.00 C ATOM 736 O GLU A 49 -14.810 -5.426 -0.353 1.00 0.00 O ATOM 737 CB GLU A 49 -12.967 -6.379 -2.920 1.00 0.00 C ATOM 738 CG GLU A 49 -14.426 -6.718 -3.225 1.00 0.00 C ATOM 739 CD GLU A 49 -14.484 -7.741 -4.362 1.00 0.00 C ATOM 740 OE1 GLU A 49 -13.430 -8.160 -4.809 1.00 0.00 O ATOM 741 OE2 GLU A 49 -15.583 -8.088 -4.764 1.00 0.00 O ATOM 0 H GLU A 49 -10.804 -5.831 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.292 -4.407 -2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.486 -5.977 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.426 -7.285 -2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.911 -7.119 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.970 -5.816 -3.505 1.00 0.00 H new ATOM 748 N ASP A 50 -13.123 -6.705 0.215 1.00 0.00 N ATOM 749 CA ASP A 50 -13.845 -7.220 1.410 1.00 0.00 C ATOM 750 C ASP A 50 -14.064 -6.100 2.432 1.00 0.00 C ATOM 751 O ASP A 50 -15.063 -6.066 3.124 1.00 0.00 O ATOM 752 CB ASP A 50 -13.013 -8.327 2.052 1.00 0.00 C ATOM 753 CG ASP A 50 -13.828 -9.012 3.150 1.00 0.00 C ATOM 754 OD1 ASP A 50 -13.272 -9.855 3.834 1.00 0.00 O ATOM 755 OD2 ASP A 50 -14.994 -8.681 3.288 1.00 0.00 O ATOM 0 H ASP A 50 -12.186 -7.084 0.080 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.816 -7.605 1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.716 -9.056 1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.097 -7.910 2.471 1.00 0.00 H new ATOM 760 N ARG A 51 -13.122 -5.207 2.561 1.00 0.00 N ATOM 761 CA ARG A 51 -13.260 -4.117 3.573 1.00 0.00 C ATOM 762 C ARG A 51 -14.065 -2.927 3.031 1.00 0.00 C ATOM 763 O ARG A 51 -14.993 -2.466 3.666 1.00 0.00 O ATOM 764 CB ARG A 51 -11.866 -3.634 3.980 1.00 0.00 C ATOM 765 CG ARG A 51 -11.991 -2.608 5.108 1.00 0.00 C ATOM 766 CD ARG A 51 -10.601 -2.097 5.492 1.00 0.00 C ATOM 767 NE ARG A 51 -10.713 -1.182 6.662 1.00 0.00 N ATOM 768 CZ ARG A 51 -11.028 -1.659 7.835 1.00 0.00 C ATOM 769 NH1 ARG A 51 -11.128 -0.857 8.859 1.00 0.00 N ATOM 770 NH2 ARG A 51 -11.243 -2.938 7.984 1.00 0.00 N ATOM 0 H ARG A 51 -12.263 -5.183 2.011 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.797 -4.522 4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.258 -4.478 4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.359 -3.189 3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.620 -1.777 4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.475 -3.061 5.973 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.948 -2.935 5.734 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.149 -1.574 4.650 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.544 -0.183 6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.960 0.142 8.742 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.374 -1.229 9.776 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.165 -3.565 7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.489 -3.310 8.901 1.00 0.00 H new ATOM 784 N PHE A 52 -13.704 -2.394 1.895 1.00 0.00 N ATOM 785 CA PHE A 52 -14.441 -1.210 1.372 1.00 0.00 C ATOM 786 C PHE A 52 -15.537 -1.627 0.389 1.00 0.00 C ATOM 787 O PHE A 52 -16.305 -0.805 -0.070 1.00 0.00 O ATOM 788 CB PHE A 52 -13.451 -0.290 0.662 1.00 0.00 C ATOM 789 CG PHE A 52 -12.437 0.228 1.655 1.00 0.00 C ATOM 790 CD1 PHE A 52 -12.738 1.346 2.442 1.00 0.00 C ATOM 791 CD2 PHE A 52 -11.198 -0.408 1.786 1.00 0.00 C ATOM 792 CE1 PHE A 52 -11.798 1.827 3.363 1.00 0.00 C ATOM 793 CE2 PHE A 52 -10.258 0.073 2.707 1.00 0.00 C ATOM 794 CZ PHE A 52 -10.559 1.190 3.494 1.00 0.00 C ATOM 0 H PHE A 52 -12.936 -2.725 1.311 1.00 0.00 H new ATOM 0 HA PHE A 52 -14.913 -0.696 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.947 -0.831 -0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.981 0.543 0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -13.694 1.837 2.339 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.966 -1.270 1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -12.030 2.689 3.971 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.302 -0.418 2.809 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.834 1.561 4.203 1.00 0.00 H new ATOM 804 N GLY A 53 -15.625 -2.881 0.054 1.00 0.00 N ATOM 805 CA GLY A 53 -16.685 -3.304 -0.906 1.00 0.00 C ATOM 806 C GLY A 53 -16.343 -2.762 -2.295 1.00 0.00 C ATOM 807 O GLY A 53 -17.206 -2.565 -3.127 1.00 0.00 O ATOM 0 H GLY A 53 -15.018 -3.626 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.756 -4.391 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.656 -2.929 -0.584 1.00 0.00 H new ATOM 811 N ILE A 54 -15.086 -2.511 -2.548 1.00 0.00 N ATOM 812 CA ILE A 54 -14.683 -1.974 -3.878 1.00 0.00 C ATOM 813 C ILE A 54 -14.292 -3.130 -4.797 1.00 0.00 C ATOM 814 O ILE A 54 -13.745 -4.120 -4.363 1.00 0.00 O ATOM 815 CB ILE A 54 -13.490 -1.036 -3.704 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.873 0.100 -2.755 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.095 -0.454 -5.063 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.623 0.892 -2.376 1.00 0.00 C ATOM 0 H ILE A 54 -14.321 -2.655 -1.889 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.517 -1.427 -4.318 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.648 -1.590 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.601 0.756 -3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.346 -0.304 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.244 0.215 -4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.824 -1.264 -5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.935 0.101 -5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.897 1.702 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.910 0.232 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.169 1.308 -3.275 1.00 0.00 H new ATOM 830 N ALA A 55 -14.570 -3.013 -6.065 1.00 0.00 N ATOM 831 CA ALA A 55 -14.222 -4.113 -7.006 1.00 0.00 C ATOM 832 C ALA A 55 -12.711 -4.336 -6.991 1.00 0.00 C ATOM 833 O ALA A 55 -11.940 -3.429 -6.747 1.00 0.00 O ATOM 834 CB ALA A 55 -14.668 -3.735 -8.420 1.00 0.00 C ATOM 0 H ALA A 55 -15.023 -2.204 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.728 -5.028 -6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.413 -4.540 -9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.746 -3.575 -8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.163 -2.820 -8.728 1.00 0.00 H new ATOM 840 N ALA A 56 -12.284 -5.543 -7.240 1.00 0.00 N ATOM 841 CA ALA A 56 -10.825 -5.836 -7.230 1.00 0.00 C ATOM 842 C ALA A 56 -10.108 -4.909 -8.215 1.00 0.00 C ATOM 843 O ALA A 56 -8.962 -4.554 -8.025 1.00 0.00 O ATOM 844 CB ALA A 56 -10.597 -7.290 -7.643 1.00 0.00 C ATOM 0 H ALA A 56 -12.885 -6.340 -7.450 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.430 -5.674 -6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.529 -7.507 -7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.106 -7.951 -6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.993 -7.450 -8.646 1.00 0.00 H new ATOM 850 N ASP A 57 -10.774 -4.517 -9.268 1.00 0.00 N ATOM 851 CA ASP A 57 -10.135 -3.614 -10.268 1.00 0.00 C ATOM 852 C ASP A 57 -8.830 -4.240 -10.763 1.00 0.00 C ATOM 853 O ASP A 57 -7.806 -3.589 -10.840 1.00 0.00 O ATOM 854 CB ASP A 57 -9.843 -2.258 -9.625 1.00 0.00 C ATOM 855 CG ASP A 57 -11.161 -1.577 -9.247 1.00 0.00 C ATOM 856 OD1 ASP A 57 -11.115 -0.621 -8.492 1.00 0.00 O ATOM 857 OD2 ASP A 57 -12.193 -2.023 -9.721 1.00 0.00 O ATOM 0 H ASP A 57 -11.736 -4.784 -9.479 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.811 -3.474 -11.111 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.222 -2.390 -8.739 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.282 -1.629 -10.316 1.00 0.00 H new ATOM 862 N ASP A 58 -8.857 -5.500 -11.098 1.00 0.00 N ATOM 863 CA ASP A 58 -7.622 -6.174 -11.587 1.00 0.00 C ATOM 864 C ASP A 58 -7.593 -6.153 -13.117 1.00 0.00 C ATOM 865 O ASP A 58 -6.854 -6.889 -13.742 1.00 0.00 O ATOM 866 CB ASP A 58 -7.605 -7.622 -11.097 1.00 0.00 C ATOM 867 CG ASP A 58 -7.461 -7.646 -9.574 1.00 0.00 C ATOM 868 OD1 ASP A 58 -7.662 -8.701 -8.997 1.00 0.00 O ATOM 869 OD2 ASP A 58 -7.153 -6.608 -9.012 1.00 0.00 O ATOM 0 H ASP A 58 -9.685 -6.094 -11.054 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.748 -5.648 -11.203 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.524 -8.128 -11.394 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.780 -8.163 -11.559 1.00 0.00 H new ATOM 874 N VAL A 59 -8.393 -5.325 -13.728 1.00 0.00 N ATOM 875 CA VAL A 59 -8.410 -5.272 -15.218 1.00 0.00 C ATOM 876 C VAL A 59 -7.001 -4.972 -15.736 1.00 0.00 C ATOM 877 O VAL A 59 -6.535 -5.580 -16.678 1.00 0.00 O ATOM 878 CB VAL A 59 -9.372 -4.175 -15.676 1.00 0.00 C ATOM 879 CG1 VAL A 59 -9.395 -4.112 -17.205 1.00 0.00 C ATOM 880 CG2 VAL A 59 -10.778 -4.482 -15.157 1.00 0.00 C ATOM 0 H VAL A 59 -9.035 -4.684 -13.262 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.741 -6.232 -15.613 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.038 -3.215 -15.282 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.082 -3.329 -17.527 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.394 -3.891 -17.575 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.726 -5.071 -17.604 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.465 -3.701 -15.483 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.109 -5.443 -15.550 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.763 -4.521 -14.068 1.00 0.00 H new ATOM 890 N GLU A 60 -6.316 -4.043 -15.126 1.00 0.00 N ATOM 891 CA GLU A 60 -4.935 -3.714 -15.584 1.00 0.00 C ATOM 892 C GLU A 60 -4.026 -3.509 -14.372 1.00 0.00 C ATOM 893 O GLU A 60 -4.364 -2.798 -13.445 1.00 0.00 O ATOM 894 CB GLU A 60 -4.965 -2.435 -16.422 1.00 0.00 C ATOM 895 CG GLU A 60 -5.836 -2.653 -17.653 1.00 0.00 C ATOM 896 CD GLU A 60 -5.810 -1.399 -18.529 1.00 0.00 C ATOM 897 OE1 GLU A 60 -6.320 -1.463 -19.636 1.00 0.00 O ATOM 898 OE2 GLU A 60 -5.281 -0.397 -18.079 1.00 0.00 O ATOM 0 H GLU A 60 -6.652 -3.498 -14.332 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.551 -4.535 -16.189 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.356 -1.608 -15.829 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.954 -2.161 -16.723 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.475 -3.512 -18.219 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.859 -2.877 -17.352 1.00 0.00 H new ATOM 905 N LEU A 61 -2.871 -4.122 -14.372 1.00 0.00 N ATOM 906 CA LEU A 61 -1.936 -3.963 -13.224 1.00 0.00 C ATOM 907 C LEU A 61 -0.535 -3.631 -13.745 1.00 0.00 C ATOM 908 O LEU A 61 -0.084 -4.181 -14.729 1.00 0.00 O ATOM 909 CB LEU A 61 -1.886 -5.264 -12.422 1.00 0.00 C ATOM 910 CG LEU A 61 -3.288 -5.607 -11.921 1.00 0.00 C ATOM 911 CD1 LEU A 61 -3.965 -6.565 -12.902 1.00 0.00 C ATOM 912 CD2 LEU A 61 -3.188 -6.269 -10.546 1.00 0.00 C ATOM 0 H LEU A 61 -2.536 -4.728 -15.121 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.285 -3.154 -12.583 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.502 -6.073 -13.044 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.203 -5.158 -11.579 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.879 -4.694 -11.844 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.965 -6.808 -12.542 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.037 -6.092 -13.881 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.377 -7.479 -12.983 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.187 -6.514 -10.187 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.596 -7.181 -10.623 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.709 -5.584 -9.846 1.00 0.00 H new ATOM 924 N SER A 62 0.162 -2.744 -13.087 1.00 0.00 N ATOM 925 CA SER A 62 1.536 -2.394 -13.543 1.00 0.00 C ATOM 926 C SER A 62 2.384 -1.979 -12.333 1.00 0.00 C ATOM 927 O SER A 62 1.882 -1.396 -11.392 1.00 0.00 O ATOM 928 CB SER A 62 1.462 -1.234 -14.537 1.00 0.00 C ATOM 929 OG SER A 62 1.974 -1.659 -15.793 1.00 0.00 O ATOM 0 H SER A 62 -0.160 -2.248 -12.256 1.00 0.00 H new ATOM 0 HA SER A 62 1.991 -3.258 -14.027 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.431 -0.899 -14.646 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.036 -0.385 -14.166 1.00 0.00 H new ATOM 0 HG SER A 62 1.927 -0.918 -16.433 1.00 0.00 H new ATOM 935 N PRO A 63 3.663 -2.272 -12.353 1.00 0.00 N ATOM 936 CA PRO A 63 4.587 -1.917 -11.234 1.00 0.00 C ATOM 937 C PRO A 63 4.696 -0.403 -11.032 1.00 0.00 C ATOM 938 O PRO A 63 5.048 0.069 -9.970 1.00 0.00 O ATOM 939 CB PRO A 63 5.940 -2.500 -11.657 1.00 0.00 C ATOM 940 CG PRO A 63 5.845 -2.725 -13.130 1.00 0.00 C ATOM 941 CD PRO A 63 4.370 -2.966 -13.440 1.00 0.00 C ATOM 0 HA PRO A 63 4.230 -2.312 -10.283 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.753 -1.814 -11.418 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.145 -3.433 -11.132 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.220 -1.861 -13.679 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.449 -3.581 -13.431 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.096 -2.564 -14.416 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.133 -4.030 -13.455 1.00 0.00 H new ATOM 949 N GLU A 64 4.403 0.359 -12.051 1.00 0.00 N ATOM 950 CA GLU A 64 4.496 1.841 -11.929 1.00 0.00 C ATOM 951 C GLU A 64 3.517 2.339 -10.865 1.00 0.00 C ATOM 952 O GLU A 64 3.762 3.323 -10.196 1.00 0.00 O ATOM 953 CB GLU A 64 4.154 2.483 -13.272 1.00 0.00 C ATOM 954 CG GLU A 64 5.197 2.084 -14.310 1.00 0.00 C ATOM 955 CD GLU A 64 4.895 2.786 -15.635 1.00 0.00 C ATOM 956 OE1 GLU A 64 5.727 2.712 -16.525 1.00 0.00 O ATOM 957 OE2 GLU A 64 3.839 3.386 -15.738 1.00 0.00 O ATOM 0 H GLU A 64 4.103 0.018 -12.964 1.00 0.00 H new ATOM 0 HA GLU A 64 5.511 2.113 -11.638 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.163 2.165 -13.597 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.124 3.568 -13.171 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.194 2.355 -13.962 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.191 1.003 -14.450 1.00 0.00 H new ATOM 964 N HIS A 65 2.407 1.673 -10.705 1.00 0.00 N ATOM 965 CA HIS A 65 1.415 2.118 -9.687 1.00 0.00 C ATOM 966 C HIS A 65 1.991 1.915 -8.284 1.00 0.00 C ATOM 967 O HIS A 65 1.628 2.599 -7.349 1.00 0.00 O ATOM 968 CB HIS A 65 0.133 1.295 -9.835 1.00 0.00 C ATOM 969 CG HIS A 65 -0.900 1.795 -8.863 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.082 1.220 -7.613 1.00 0.00 N ATOM 971 CD2 HIS A 65 -1.816 2.816 -8.943 1.00 0.00 C ATOM 972 CE1 HIS A 65 -2.072 1.892 -6.997 1.00 0.00 C ATOM 973 NE2 HIS A 65 -2.551 2.872 -7.765 1.00 0.00 N ATOM 0 H HIS A 65 2.144 0.841 -11.234 1.00 0.00 H new ATOM 0 HA HIS A 65 1.192 3.174 -9.836 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.245 1.371 -10.855 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.341 0.241 -9.650 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.560 0.431 -7.231 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.945 3.473 -9.790 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.434 1.666 -6.005 1.00 0.00 H new ATOM 982 N PHE A 66 2.883 0.975 -8.131 1.00 0.00 N ATOM 983 CA PHE A 66 3.481 0.720 -6.789 1.00 0.00 C ATOM 984 C PHE A 66 4.906 1.277 -6.741 1.00 0.00 C ATOM 985 O PHE A 66 5.656 1.009 -5.824 1.00 0.00 O ATOM 986 CB PHE A 66 3.505 -0.787 -6.533 1.00 0.00 C ATOM 987 CG PHE A 66 2.088 -1.307 -6.521 1.00 0.00 C ATOM 988 CD1 PHE A 66 1.352 -1.305 -5.330 1.00 0.00 C ATOM 989 CD2 PHE A 66 1.508 -1.784 -7.703 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.034 -1.778 -5.322 1.00 0.00 C ATOM 991 CE2 PHE A 66 0.191 -2.259 -7.694 1.00 0.00 C ATOM 992 CZ PHE A 66 -0.546 -2.256 -6.504 1.00 0.00 C ATOM 0 H PHE A 66 3.224 0.371 -8.879 1.00 0.00 H new ATOM 0 HA PHE A 66 2.884 1.213 -6.022 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.084 -1.291 -7.307 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.992 -0.999 -5.581 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.800 -0.939 -4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.076 -1.785 -8.621 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.535 -1.774 -4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.256 -2.628 -8.605 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.562 -2.622 -6.497 1.00 0.00 H new ATOM 1002 N ARG A 67 5.287 2.049 -7.722 1.00 0.00 N ATOM 1003 CA ARG A 67 6.665 2.618 -7.733 1.00 0.00 C ATOM 1004 C ARG A 67 6.923 3.364 -6.419 1.00 0.00 C ATOM 1005 O ARG A 67 8.007 3.315 -5.873 1.00 0.00 O ATOM 1006 CB ARG A 67 6.802 3.587 -8.915 1.00 0.00 C ATOM 1007 CG ARG A 67 8.231 4.137 -9.005 1.00 0.00 C ATOM 1008 CD ARG A 67 9.164 3.094 -9.632 1.00 0.00 C ATOM 1009 NE ARG A 67 10.517 3.689 -9.815 1.00 0.00 N ATOM 1010 CZ ARG A 67 11.337 3.771 -8.803 1.00 0.00 C ATOM 1011 NH1 ARG A 67 12.521 4.295 -8.961 1.00 0.00 N ATOM 1012 NH2 ARG A 67 10.970 3.327 -7.631 1.00 0.00 N ATOM 0 H ARG A 67 4.703 2.310 -8.517 1.00 0.00 H new ATOM 0 HA ARG A 67 7.393 1.814 -7.836 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.545 3.075 -9.842 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.097 4.410 -8.800 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.240 5.049 -9.602 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.589 4.404 -8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.225 2.213 -8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.766 2.764 -10.592 1.00 0.00 H new ATOM 0 HE ARG A 67 10.803 4.033 -10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.807 4.642 -9.877 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.161 4.358 -8.169 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.044 2.917 -7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.609 3.390 -6.839 1.00 0.00 H new ATOM 1026 N SER A 68 5.941 4.056 -5.909 1.00 0.00 N ATOM 1027 CA SER A 68 6.144 4.802 -4.633 1.00 0.00 C ATOM 1028 C SER A 68 4.827 4.870 -3.855 1.00 0.00 C ATOM 1029 O SER A 68 3.755 4.769 -4.418 1.00 0.00 O ATOM 1030 CB SER A 68 6.622 6.220 -4.945 1.00 0.00 C ATOM 1031 OG SER A 68 5.564 6.949 -5.553 1.00 0.00 O ATOM 0 H SER A 68 5.010 4.137 -6.318 1.00 0.00 H new ATOM 0 HA SER A 68 6.891 4.286 -4.030 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.943 6.718 -4.030 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.485 6.187 -5.610 1.00 0.00 H new ATOM 0 HG SER A 68 5.867 7.859 -5.753 1.00 0.00 H new ATOM 1037 N ILE A 69 4.902 5.045 -2.562 1.00 0.00 N ATOM 1038 CA ILE A 69 3.666 5.125 -1.743 1.00 0.00 C ATOM 1039 C ILE A 69 2.838 6.339 -2.170 1.00 0.00 C ATOM 1040 O ILE A 69 1.623 6.303 -2.178 1.00 0.00 O ATOM 1041 CB ILE A 69 4.052 5.270 -0.273 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.870 4.061 0.165 1.00 0.00 C ATOM 1043 CG2 ILE A 69 2.794 5.345 0.574 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.393 4.284 1.586 1.00 0.00 C ATOM 0 H ILE A 69 5.773 5.136 -2.039 1.00 0.00 H new ATOM 0 HA ILE A 69 3.076 4.220 -1.886 1.00 0.00 H new ATOM 0 HB ILE A 69 4.641 6.178 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.256 3.161 0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.703 3.905 -0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.068 5.449 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.200 6.206 0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.210 4.435 0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.978 3.419 1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.022 5.174 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.552 4.418 2.266 1.00 0.00 H new ATOM 1056 N ARG A 70 3.485 7.419 -2.512 1.00 0.00 N ATOM 1057 CA ARG A 70 2.735 8.639 -2.923 1.00 0.00 C ATOM 1058 C ARG A 70 1.879 8.334 -4.154 1.00 0.00 C ATOM 1059 O ARG A 70 0.749 8.770 -4.255 1.00 0.00 O ATOM 1060 CB ARG A 70 3.727 9.755 -3.258 1.00 0.00 C ATOM 1061 CG ARG A 70 2.962 11.043 -3.568 1.00 0.00 C ATOM 1062 CD ARG A 70 3.956 12.170 -3.857 1.00 0.00 C ATOM 1063 NE ARG A 70 4.654 11.898 -5.145 1.00 0.00 N ATOM 1064 CZ ARG A 70 5.379 12.828 -5.702 1.00 0.00 C ATOM 1065 NH1 ARG A 70 5.990 12.590 -6.831 1.00 0.00 N ATOM 1066 NH2 ARG A 70 5.494 13.995 -5.133 1.00 0.00 N ATOM 0 H ARG A 70 4.501 7.509 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 70 2.087 8.955 -2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.406 9.916 -2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.338 9.468 -4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.307 10.892 -4.426 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.325 11.312 -2.725 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.434 13.125 -3.909 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.681 12.246 -3.047 1.00 0.00 H new ATOM 0 HE ARG A 70 4.565 10.985 -5.591 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.900 11.677 -7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.557 13.317 -7.267 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.017 14.182 -4.251 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.061 14.722 -5.570 1.00 0.00 H new ATOM 1080 N SER A 71 2.400 7.591 -5.091 1.00 0.00 N ATOM 1081 CA SER A 71 1.601 7.269 -6.306 1.00 0.00 C ATOM 1082 C SER A 71 0.339 6.507 -5.896 1.00 0.00 C ATOM 1083 O SER A 71 -0.746 6.779 -6.369 1.00 0.00 O ATOM 1084 CB SER A 71 2.435 6.403 -7.251 1.00 0.00 C ATOM 1085 OG SER A 71 1.744 6.254 -8.483 1.00 0.00 O ATOM 0 H SER A 71 3.340 7.195 -5.068 1.00 0.00 H new ATOM 0 HA SER A 71 1.321 8.192 -6.813 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.409 6.863 -7.420 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.617 5.426 -6.802 1.00 0.00 H new ATOM 0 HG SER A 71 2.276 5.701 -9.092 1.00 0.00 H new ATOM 1091 N ILE A 72 0.475 5.554 -5.014 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.706 4.775 -4.564 1.00 0.00 C ATOM 1093 C ILE A 72 -1.657 5.684 -3.782 1.00 0.00 C ATOM 1094 O ILE A 72 -2.863 5.576 -3.887 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.233 3.638 -3.662 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.733 2.738 -4.435 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.437 2.819 -3.211 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.294 1.667 -3.498 1.00 0.00 C ATOM 0 H ILE A 72 1.360 5.283 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.230 4.370 -5.429 1.00 0.00 H new ATOM 0 HB ILE A 72 0.276 4.052 -2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.218 2.269 -5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.545 3.333 -4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.103 2.006 -2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.127 3.459 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.943 2.406 -4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.982 1.026 -4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.824 2.145 -2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.476 1.065 -3.102 1.00 0.00 H new ATOM 1110 N ASP A 73 -1.122 6.571 -2.988 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.987 7.478 -2.186 1.00 0.00 C ATOM 1112 C ASP A 73 -2.910 8.277 -3.108 1.00 0.00 C ATOM 1113 O ASP A 73 -4.072 8.473 -2.814 1.00 0.00 O ATOM 1114 CB ASP A 73 -1.098 8.441 -1.399 1.00 0.00 C ATOM 1115 CG ASP A 73 -0.292 7.660 -0.360 1.00 0.00 C ATOM 1116 OD1 ASP A 73 0.636 8.229 0.190 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -0.615 6.505 -0.136 1.00 0.00 O ATOM 0 H ASP A 73 -0.119 6.706 -2.861 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.597 6.887 -1.503 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.425 8.967 -2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.710 9.197 -0.907 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.408 8.743 -4.218 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.270 9.530 -5.143 1.00 0.00 C ATOM 1124 C ALA A 74 -4.360 8.629 -5.720 1.00 0.00 C ATOM 1125 O ALA A 74 -5.519 8.988 -5.761 1.00 0.00 O ATOM 1126 CB ALA A 74 -2.418 10.097 -6.280 1.00 0.00 C ATOM 0 H ALA A 74 -1.443 8.614 -4.523 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.733 10.350 -4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.050 10.673 -6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.644 10.744 -5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.952 9.278 -6.828 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.997 7.459 -6.162 1.00 0.00 N ATOM 1133 CA PHE A 75 -5.015 6.533 -6.731 1.00 0.00 C ATOM 1134 C PHE A 75 -6.008 6.139 -5.639 1.00 0.00 C ATOM 1135 O PHE A 75 -7.207 6.155 -5.836 1.00 0.00 O ATOM 1136 CB PHE A 75 -4.323 5.281 -7.268 1.00 0.00 C ATOM 1137 CG PHE A 75 -5.334 4.408 -7.971 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.648 4.644 -9.315 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.960 3.364 -7.279 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.586 3.835 -9.967 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -6.899 2.555 -7.931 1.00 0.00 C ATOM 1142 CZ PHE A 75 -7.212 2.791 -9.276 1.00 0.00 C ATOM 0 H PHE A 75 -3.041 7.103 -6.154 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.545 7.029 -7.544 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.526 5.561 -7.958 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.858 4.731 -6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.167 5.450 -9.849 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.719 3.183 -6.242 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.827 4.016 -11.004 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.382 1.750 -7.397 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.936 2.168 -9.780 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.514 5.783 -4.485 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.416 5.387 -3.376 1.00 0.00 C ATOM 1154 C VAL A 76 -7.265 6.583 -2.944 1.00 0.00 C ATOM 1155 O VAL A 76 -8.443 6.455 -2.686 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.569 4.906 -2.200 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.463 4.708 -0.981 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.900 3.579 -2.561 1.00 0.00 C ATOM 0 H VAL A 76 -4.519 5.750 -4.265 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.078 4.587 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.803 5.649 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.861 4.365 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.941 5.653 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.227 3.965 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.295 3.236 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.665 2.835 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.262 3.719 -3.434 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.679 7.747 -2.860 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.455 8.942 -2.443 1.00 0.00 C ATOM 1170 C VAL A 77 -8.567 9.217 -3.456 1.00 0.00 C ATOM 1171 O VAL A 77 -9.677 9.559 -3.098 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.515 10.144 -2.383 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -7.333 11.414 -2.186 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.544 9.976 -1.211 1.00 0.00 C ATOM 0 H VAL A 77 -5.694 7.919 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.900 8.766 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.951 10.213 -3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.665 12.274 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.025 11.534 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.895 11.344 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.873 10.834 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.106 9.908 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.960 9.066 -1.350 1.00 0.00 H new ATOM 1184 N GLY A 78 -8.275 9.080 -4.719 1.00 0.00 N ATOM 1185 CA GLY A 78 -9.307 9.342 -5.759 1.00 0.00 C ATOM 1186 C GLY A 78 -10.524 8.438 -5.542 1.00 0.00 C ATOM 1187 O GLY A 78 -11.645 8.827 -5.803 1.00 0.00 O ATOM 0 H GLY A 78 -7.363 8.797 -5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.612 10.388 -5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.887 9.166 -6.749 1.00 0.00 H new ATOM 1191 N ALA A 79 -10.318 7.232 -5.084 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.475 6.314 -4.874 1.00 0.00 C ATOM 1193 C ALA A 79 -11.854 6.259 -3.393 1.00 0.00 C ATOM 1194 O ALA A 79 -13.010 6.373 -3.037 1.00 0.00 O ATOM 1195 CB ALA A 79 -11.099 4.910 -5.353 1.00 0.00 C ATOM 0 H ALA A 79 -9.405 6.845 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.328 6.687 -5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.942 4.236 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.847 4.943 -6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.240 4.550 -4.786 1.00 0.00 H new ATOM 1201 N THR A 80 -10.893 6.076 -2.530 1.00 0.00 N ATOM 1202 CA THR A 80 -11.198 6.005 -1.071 1.00 0.00 C ATOM 1203 C THR A 80 -10.281 6.954 -0.299 1.00 0.00 C ATOM 1204 O THR A 80 -9.100 7.045 -0.567 1.00 0.00 O ATOM 1205 CB THR A 80 -10.980 4.575 -0.578 1.00 0.00 C ATOM 1206 OG1 THR A 80 -11.751 3.680 -1.366 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.405 4.466 0.887 1.00 0.00 C ATOM 0 H THR A 80 -9.907 5.972 -2.772 1.00 0.00 H new ATOM 0 HA THR A 80 -12.235 6.298 -0.907 1.00 0.00 H new ATOM 0 HB THR A 80 -9.924 4.318 -0.666 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.684 3.701 -1.066 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.249 3.445 1.236 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.810 5.151 1.490 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.460 4.724 0.980 1.00 0.00 H new ATOM 1215 N THR A 81 -10.817 7.657 0.663 1.00 0.00 N ATOM 1216 CA THR A 81 -9.981 8.595 1.462 1.00 0.00 C ATOM 1217 C THR A 81 -10.186 8.310 2.956 1.00 0.00 C ATOM 1218 O THR A 81 -11.051 8.885 3.587 1.00 0.00 O ATOM 1219 CB THR A 81 -10.408 10.032 1.153 1.00 0.00 C ATOM 1220 OG1 THR A 81 -9.572 10.935 1.864 1.00 0.00 O ATOM 1221 CG2 THR A 81 -11.862 10.239 1.576 1.00 0.00 C ATOM 0 H THR A 81 -11.801 7.621 0.929 1.00 0.00 H new ATOM 0 HA THR A 81 -8.929 8.462 1.208 1.00 0.00 H new ATOM 0 HB THR A 81 -10.316 10.216 0.083 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.655 10.867 1.526 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.163 11.263 1.355 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.502 9.546 1.029 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.959 10.055 2.646 1.00 0.00 H new ATOM 1229 N PRO A 82 -9.396 7.428 3.520 1.00 0.00 N ATOM 1230 CA PRO A 82 -9.497 7.067 4.964 1.00 0.00 C ATOM 1231 C PRO A 82 -9.169 8.252 5.883 1.00 0.00 C ATOM 1232 O PRO A 82 -8.860 9.334 5.422 1.00 0.00 O ATOM 1233 CB PRO A 82 -8.467 5.948 5.159 1.00 0.00 C ATOM 1234 CG PRO A 82 -8.055 5.510 3.790 1.00 0.00 C ATOM 1235 CD PRO A 82 -8.328 6.679 2.847 1.00 0.00 C ATOM 0 HA PRO A 82 -10.512 6.764 5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.608 6.305 5.727 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.897 5.118 5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.999 5.239 3.773 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.616 4.627 3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.439 7.293 2.702 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -8.641 6.334 1.862 1.00 0.00 H new ATOM 1243 N PRO A 83 -9.232 8.048 7.176 1.00 0.00 N ATOM 1244 CA PRO A 83 -8.932 9.117 8.174 1.00 0.00 C ATOM 1245 C PRO A 83 -7.509 9.661 8.019 1.00 0.00 C ATOM 1246 O PRO A 83 -6.612 8.961 7.594 1.00 0.00 O ATOM 1247 CB PRO A 83 -9.083 8.426 9.535 1.00 0.00 C ATOM 1248 CG PRO A 83 -9.855 7.173 9.280 1.00 0.00 C ATOM 1249 CD PRO A 83 -9.596 6.780 7.827 1.00 0.00 C ATOM 0 HA PRO A 83 -9.596 9.972 8.050 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.108 8.202 9.969 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -9.606 9.069 10.243 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.538 6.380 9.957 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.919 7.333 9.453 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.794 6.046 7.749 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.480 6.336 7.370 1.00 0.00 H new ATOM 1257 N VAL A 84 -7.295 10.904 8.358 1.00 0.00 N ATOM 1258 CA VAL A 84 -5.930 11.486 8.224 1.00 0.00 C ATOM 1259 C VAL A 84 -5.269 11.556 9.603 1.00 0.00 C ATOM 1260 O VAL A 84 -5.839 12.060 10.550 1.00 0.00 O ATOM 1261 CB VAL A 84 -6.032 12.896 7.640 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -4.631 13.441 7.361 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -6.830 12.851 6.335 1.00 0.00 C ATOM 0 H VAL A 84 -8.005 11.540 8.721 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.332 10.859 7.563 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.537 13.546 8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.708 14.446 6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.062 13.475 8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.123 12.791 6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.903 13.856 5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -6.326 12.198 5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -7.831 12.467 6.533 1.00 0.00 H new ATOM 1273 N GLU A 85 -4.069 11.056 9.721 1.00 0.00 N ATOM 1274 CA GLU A 85 -3.366 11.093 11.032 1.00 0.00 C ATOM 1275 C GLU A 85 -1.912 11.518 10.818 1.00 0.00 C ATOM 1276 O GLU A 85 -1.372 11.391 9.737 1.00 0.00 O ATOM 1277 CB GLU A 85 -3.404 9.703 11.673 1.00 0.00 C ATOM 1278 CG GLU A 85 -4.858 9.285 11.900 1.00 0.00 C ATOM 1279 CD GLU A 85 -4.895 7.935 12.617 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -5.972 7.532 13.024 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -3.846 7.326 12.748 1.00 0.00 O ATOM 0 H GLU A 85 -3.544 10.622 8.962 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.861 11.808 11.689 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.903 8.980 11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.865 9.713 12.620 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.376 10.038 12.494 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.381 9.217 10.946 1.00 0.00 H new ATOM 1288 N ALA A 86 -1.271 12.018 11.839 1.00 0.00 N ATOM 1289 CA ALA A 86 0.148 12.445 11.688 1.00 0.00 C ATOM 1290 C ALA A 86 1.000 11.238 11.287 1.00 0.00 C ATOM 1291 O ALA A 86 0.752 10.126 11.710 1.00 0.00 O ATOM 1292 CB ALA A 86 0.658 13.010 13.016 1.00 0.00 C ATOM 0 H ALA A 86 -1.668 12.149 12.769 1.00 0.00 H new ATOM 0 HA ALA A 86 0.216 13.214 10.918 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.696 13.322 12.904 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.050 13.868 13.304 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.591 12.243 13.787 1.00 0.00 H new ATOM 1298 N LYS A 87 2.001 11.448 10.473 1.00 0.00 N ATOM 1299 CA LYS A 87 2.868 10.314 10.041 1.00 0.00 C ATOM 1300 C LYS A 87 4.337 10.689 10.252 1.00 0.00 C ATOM 1301 O LYS A 87 4.769 11.768 9.897 1.00 0.00 O ATOM 1302 CB LYS A 87 2.623 10.022 8.559 1.00 0.00 C ATOM 1303 CG LYS A 87 3.371 8.749 8.158 1.00 0.00 C ATOM 1304 CD LYS A 87 3.183 8.496 6.660 1.00 0.00 C ATOM 1305 CE LYS A 87 3.837 7.167 6.272 1.00 0.00 C ATOM 1306 NZ LYS A 87 4.379 6.501 7.490 1.00 0.00 N ATOM 0 H LYS A 87 2.255 12.358 10.088 1.00 0.00 H new ATOM 0 HA LYS A 87 2.631 9.428 10.630 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.556 9.903 8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 87 2.961 10.862 7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.431 8.849 8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.998 7.900 8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.121 8.474 6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.625 9.310 6.086 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.107 6.520 5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.638 7.341 5.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.731 5.555 7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.158 7.069 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.626 6.413 8.202 1.00 0.00 H new ATOM 1320 N LEU A 88 5.106 9.808 10.829 1.00 0.00 N ATOM 1321 CA LEU A 88 6.546 10.114 11.062 1.00 0.00 C ATOM 1322 C LEU A 88 7.373 9.614 9.876 1.00 0.00 C ATOM 1323 O LEU A 88 7.096 8.578 9.307 1.00 0.00 O ATOM 1324 CB LEU A 88 7.016 9.417 12.342 1.00 0.00 C ATOM 1325 CG LEU A 88 6.110 9.816 13.508 1.00 0.00 C ATOM 1326 CD1 LEU A 88 6.648 9.208 14.804 1.00 0.00 C ATOM 1327 CD2 LEU A 88 6.085 11.341 13.635 1.00 0.00 C ATOM 0 H LEU A 88 4.800 8.889 11.149 1.00 0.00 H new ATOM 0 HA LEU A 88 6.675 11.191 11.166 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.996 8.336 12.207 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.048 9.692 12.560 1.00 0.00 H new ATOM 0 HG LEU A 88 5.100 9.448 13.325 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.002 9.492 15.635 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.668 8.122 14.715 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.658 9.576 14.987 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.440 11.626 14.466 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.095 11.707 13.818 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.702 11.777 12.712 1.00 0.00 H new ATOM 1339 N GLN A 89 8.386 10.345 9.499 1.00 0.00 N ATOM 1340 CA GLN A 89 9.231 9.915 8.350 1.00 0.00 C ATOM 1341 C GLN A 89 9.497 8.411 8.447 1.00 0.00 C ATOM 1342 O GLN A 89 9.442 7.752 7.422 1.00 0.00 O ATOM 1343 CB GLN A 89 10.560 10.671 8.382 1.00 0.00 C ATOM 1344 CG GLN A 89 10.301 12.167 8.191 1.00 0.00 C ATOM 1345 CD GLN A 89 11.623 12.931 8.279 1.00 0.00 C ATOM 1346 OE1 GLN A 89 12.611 12.404 8.751 1.00 0.00 O ATOM 1347 NE2 GLN A 89 11.683 14.159 7.843 1.00 0.00 N ATOM 1348 OXT GLN A 89 9.753 7.944 9.545 1.00 0.00 O ATOM 0 H GLN A 89 8.665 11.222 9.938 1.00 0.00 H new ATOM 0 HA GLN A 89 8.712 10.133 7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.067 10.497 9.331 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.219 10.302 7.596 1.00 0.00 H new ATOM 0 HG2 GLN A 89 9.830 12.344 7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 89 9.610 12.527 8.953 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.853 14.601 7.447 1.00 0.00 H new ATOM 0 HE22 GLN A 89 12.560 14.677 7.898 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 2.013 -8.901 -13.010 1.00 0.00 O HETATM 1359 O4 PN7 A 101 4.031 -7.341 -14.039 1.00 0.00 O HETATM 1360 C2 PN7 A 101 2.289 -7.112 -11.425 1.00 0.00 C HETATM 1361 C1 PN7 A 101 3.445 -7.987 -10.931 1.00 0.00 C HETATM 1362 P PN7 A 101 3.965 -9.660 -9.212 1.00 0.00 P HETATM 1363 O1P PN7 A 101 4.026 -8.610 -8.172 1.00 0.00 O HETATM 1364 O2P PN7 A 101 5.207 -10.102 -9.886 1.00 0.00 O HETATM 1365 O3P PN7 A 101 2.922 -9.183 -10.344 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 2.702 -5.639 -11.368 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 1.062 -7.332 -10.537 1.00 0.00 C HETATM 1368 C3 PN7 A 101 1.947 -7.489 -12.867 1.00 0.00 C HETATM 1369 C4 PN7 A 101 2.948 -6.836 -13.820 1.00 0.00 C HETATM 1370 N5 PN7 A 101 2.619 -5.688 -14.346 1.00 0.00 N HETATM 1371 C6 PN7 A 101 2.350 -5.590 -15.808 1.00 0.00 C HETATM 1372 C7 PN7 A 101 3.671 -5.662 -16.576 1.00 0.00 C HETATM 1373 C8 PN7 A 101 3.966 -7.116 -16.949 1.00 0.00 C HETATM 1374 O8 PN7 A 101 3.111 -7.827 -17.437 1.00 0.00 O HETATM 1375 N9 PN7 A 101 5.172 -7.563 -16.723 1.00 0.00 N HETATM 1376 C10 PN7 A 101 5.591 -8.883 -17.273 1.00 0.00 C HETATM 1377 C11 PN7 A 101 6.084 -8.703 -18.710 1.00 0.00 C HETATM 1378 S12 PN7 A 101 7.719 -7.926 -18.694 1.00 0.00 S