USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 544 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 13 THR OG1 : rot -45:sc= 1.03 USER MOD Set 1.2: A 14 CYS SG : rot 180:sc= -1.73! USER MOD Set 1.3: A 17 CYS SG : rot -111:sc= 0.901 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -116:sc= -2.76! (180deg=-3.38!) USER MOD Single : A 19 ASN : amide:sc= -0.0265 K(o=-0.026,f=-0.77) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.14 K(o=1.1,f=-4.1e-05) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.12 K(o=1.1,f=-2.2!) USER MOD Single : A 37 ASN : amide:sc=0.000627 K(o=0.00063,f=-15!) USER MOD Single : A 42 THR OG1 : rot -58:sc= 0.741 USER MOD Single : A 44 THR OG1 : rot -64:sc= 1.22 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.027) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00459) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -163:sc= 1.16 (180deg=0.768) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 100:sc= 0.53 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0471) USER MOD Single : A 71 LYS NZ :NH3+ 142:sc= 1.19 (180deg=0.906) USER MOD ----------------------------------------------------------------- ATOM 34 N GLU A 3 2.598 13.359 5.088 1.00 10.00 N ATOM 35 CA GLU A 3 2.183 13.642 3.730 1.00 10.00 C ATOM 36 C GLU A 3 1.126 12.612 3.314 1.00 10.00 C ATOM 37 O GLU A 3 0.542 11.925 4.159 1.00 10.00 O ATOM 38 CB GLU A 3 3.426 13.661 2.826 1.00 10.00 C ATOM 39 CG GLU A 3 4.098 12.282 2.702 1.00 10.00 C ATOM 40 CD GLU A 3 5.557 12.315 3.127 1.00 10.00 C ATOM 41 OE1 GLU A 3 5.814 12.902 4.202 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.384 11.742 2.386 1.00 10.00 O ATOM 0 HA GLU A 3 1.717 14.623 3.640 1.00 10.00 H new ATOM 0 HB2 GLU A 3 3.142 14.012 1.834 1.00 10.00 H new ATOM 0 HB3 GLU A 3 4.147 14.376 3.223 1.00 10.00 H new ATOM 0 HG2 GLU A 3 3.559 11.560 3.315 1.00 10.00 H new ATOM 0 HG3 GLU A 3 4.029 11.938 1.670 1.00 10.00 H new ATOM 49 N LYS A 4 0.901 12.544 2.002 1.00 10.00 N ATOM 50 CA LYS A 4 0.026 11.641 1.274 1.00 10.00 C ATOM 51 C LYS A 4 0.800 11.229 0.025 1.00 10.00 C ATOM 52 O LYS A 4 1.372 12.086 -0.649 1.00 10.00 O ATOM 53 CB LYS A 4 -1.242 12.384 0.843 1.00 10.00 C ATOM 54 CG LYS A 4 -2.158 12.736 2.016 1.00 10.00 C ATOM 55 CD LYS A 4 -3.196 13.794 1.632 1.00 10.00 C ATOM 56 CE LYS A 4 -4.071 14.108 2.857 1.00 10.00 C ATOM 57 NZ LYS A 4 -4.172 15.553 3.128 1.00 10.00 N ATOM 0 H LYS A 4 1.376 13.184 1.366 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.262 10.786 1.886 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -0.961 13.299 0.322 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.793 11.769 0.131 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -2.667 11.836 2.362 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -1.557 13.102 2.849 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -2.699 14.699 1.283 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.815 13.433 0.810 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -5.070 13.701 2.699 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -3.658 13.606 3.732 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -4.772 15.708 3.963 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -3.223 15.940 3.307 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -4.592 16.032 2.306 1.00 10.00 H new ATOM 71 N ALA A 5 0.809 9.940 -0.294 1.00 10.00 N ATOM 72 CA ALA A 5 1.497 9.352 -1.427 1.00 10.00 C ATOM 73 C ALA A 5 0.474 8.456 -2.105 1.00 10.00 C ATOM 74 O ALA A 5 -0.456 8.022 -1.427 1.00 10.00 O ATOM 75 CB ALA A 5 2.694 8.550 -0.922 1.00 10.00 C ATOM 0 H ALA A 5 0.310 9.245 0.262 1.00 10.00 H new ATOM 0 HA ALA A 5 1.879 10.096 -2.126 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.217 8.105 -1.768 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.373 9.210 -0.383 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.348 7.762 -0.254 1.00 10.00 H new ATOM 81 N GLU A 6 0.599 8.199 -3.410 1.00 10.00 N ATOM 82 CA GLU A 6 -0.416 7.461 -4.125 1.00 10.00 C ATOM 83 C GLU A 6 0.317 6.450 -4.977 1.00 10.00 C ATOM 84 O GLU A 6 1.320 6.805 -5.599 1.00 10.00 O ATOM 85 CB GLU A 6 -1.227 8.413 -5.000 1.00 10.00 C ATOM 86 CG GLU A 6 -2.506 7.725 -5.479 1.00 10.00 C ATOM 87 CD GLU A 6 -3.775 8.217 -4.802 1.00 10.00 C ATOM 88 OE1 GLU A 6 -3.703 8.502 -3.588 1.00 10.00 O ATOM 89 OE2 GLU A 6 -4.814 8.231 -5.493 1.00 10.00 O ATOM 0 H GLU A 6 1.392 8.494 -3.980 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.111 6.968 -3.445 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.477 9.312 -4.437 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.632 8.728 -5.857 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.602 7.872 -6.555 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -2.412 6.652 -5.311 1.00 10.00 H new ATOM 96 N PHE A 7 -0.158 5.206 -4.976 1.00 10.00 N ATOM 97 CA PHE A 7 0.479 4.086 -5.635 1.00 10.00 C ATOM 98 C PHE A 7 -0.509 3.371 -6.551 1.00 10.00 C ATOM 99 O PHE A 7 -1.723 3.509 -6.414 1.00 10.00 O ATOM 100 CB PHE A 7 1.054 3.137 -4.583 1.00 10.00 C ATOM 101 CG PHE A 7 1.851 3.792 -3.469 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.760 4.821 -3.763 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.720 3.357 -2.141 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.453 5.483 -2.742 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.469 3.973 -1.127 1.00 10.00 C ATOM 106 CZ PHE A 7 3.320 5.049 -1.416 1.00 10.00 C ATOM 0 H PHE A 7 -1.023 4.950 -4.500 1.00 10.00 H new ATOM 0 HA PHE A 7 1.296 4.448 -6.258 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.231 2.579 -4.136 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.695 2.413 -5.086 1.00 10.00 H new ATOM 0 HD1 PHE A 7 2.927 5.106 -4.791 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.044 2.550 -1.900 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.088 6.325 -2.976 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.389 3.614 -0.112 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.868 5.539 -0.624 1.00 10.00 H new ATOM 116 N ASP A 8 0.042 2.603 -7.483 1.00 10.00 N ATOM 117 CA ASP A 8 -0.630 1.746 -8.436 1.00 10.00 C ATOM 118 C ASP A 8 -0.483 0.359 -7.835 1.00 10.00 C ATOM 119 O ASP A 8 0.623 0.063 -7.380 1.00 10.00 O ATOM 120 CB ASP A 8 0.171 1.821 -9.740 1.00 10.00 C ATOM 121 CG ASP A 8 -0.571 1.235 -10.924 1.00 10.00 C ATOM 122 OD1 ASP A 8 -0.419 0.022 -11.149 1.00 10.00 O ATOM 123 OD2 ASP A 8 -1.207 2.048 -11.632 1.00 10.00 O ATOM 0 H ASP A 8 1.055 2.565 -7.596 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.670 2.007 -8.631 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.416 2.862 -9.950 1.00 10.00 H new ATOM 0 HB3 ASP A 8 1.115 1.291 -9.611 1.00 10.00 H new ATOM 128 N ILE A 9 -1.543 -0.446 -7.764 1.00 10.00 N ATOM 129 CA ILE A 9 -1.403 -1.850 -7.387 1.00 10.00 C ATOM 130 C ILE A 9 -1.611 -2.681 -8.646 1.00 10.00 C ATOM 131 O ILE A 9 -2.444 -2.321 -9.471 1.00 10.00 O ATOM 132 CB ILE A 9 -2.377 -2.282 -6.273 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.472 -1.294 -5.105 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.877 -3.584 -5.651 1.00 10.00 C ATOM 135 CD1 ILE A 9 -3.658 -0.373 -5.312 1.00 10.00 C ATOM 0 H ILE A 9 -2.500 -0.152 -7.961 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.408 -2.006 -6.970 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.350 -2.360 -6.757 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -2.579 -1.836 -4.165 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -1.554 -0.711 -5.034 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.561 -3.896 -4.862 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.829 -4.358 -6.417 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.884 -3.428 -5.230 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -3.723 0.328 -4.480 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.532 0.179 -6.243 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -4.573 -0.963 -5.361 1.00 10.00 H new ATOM 147 N GLU A 10 -0.875 -3.788 -8.772 1.00 10.00 N ATOM 148 CA GLU A 10 -1.057 -4.749 -9.841 1.00 10.00 C ATOM 149 C GLU A 10 -1.492 -6.086 -9.241 1.00 10.00 C ATOM 150 O GLU A 10 -0.671 -6.805 -8.662 1.00 10.00 O ATOM 151 CB GLU A 10 0.250 -4.937 -10.616 1.00 10.00 C ATOM 152 CG GLU A 10 0.926 -3.642 -11.114 1.00 10.00 C ATOM 153 CD GLU A 10 2.385 -3.530 -10.673 1.00 10.00 C ATOM 154 OE1 GLU A 10 3.263 -4.051 -11.399 1.00 10.00 O ATOM 155 OE2 GLU A 10 2.625 -2.933 -9.601 1.00 10.00 O ATOM 0 H GLU A 10 -0.129 -4.037 -8.122 1.00 10.00 H new ATOM 0 HA GLU A 10 -1.820 -4.382 -10.527 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.955 -5.471 -9.979 1.00 10.00 H new ATOM 0 HB3 GLU A 10 0.052 -5.576 -11.477 1.00 10.00 H new ATOM 0 HG2 GLU A 10 0.876 -3.607 -12.202 1.00 10.00 H new ATOM 0 HG3 GLU A 10 0.371 -2.781 -10.741 1.00 10.00 H new ATOM 162 N GLY A 11 -2.765 -6.432 -9.424 1.00 10.00 N ATOM 163 CA GLY A 11 -3.273 -7.791 -9.251 1.00 10.00 C ATOM 164 C GLY A 11 -4.722 -7.857 -8.765 1.00 10.00 C ATOM 165 O GLY A 11 -5.594 -8.300 -9.508 1.00 10.00 O ATOM 0 H GLY A 11 -3.484 -5.764 -9.701 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.195 -8.321 -10.200 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.637 -8.317 -8.539 1.00 10.00 H new ATOM 169 N MET A 12 -4.953 -7.489 -7.496 1.00 10.00 N ATOM 170 CA MET A 12 -6.245 -7.444 -6.819 1.00 10.00 C ATOM 171 C MET A 12 -7.257 -8.510 -7.266 1.00 10.00 C ATOM 172 O MET A 12 -8.251 -8.207 -7.922 1.00 10.00 O ATOM 173 CB MET A 12 -6.811 -6.027 -6.920 1.00 10.00 C ATOM 174 CG MET A 12 -5.714 -4.987 -6.661 1.00 10.00 C ATOM 175 SD MET A 12 -6.274 -3.334 -6.205 1.00 10.00 S ATOM 176 CE MET A 12 -6.997 -3.746 -4.614 1.00 10.00 C ATOM 0 H MET A 12 -4.192 -7.198 -6.883 1.00 10.00 H new ATOM 0 HA MET A 12 -6.063 -7.701 -5.775 1.00 10.00 H new ATOM 0 HB2 MET A 12 -7.241 -5.871 -7.909 1.00 10.00 H new ATOM 0 HB3 MET A 12 -7.618 -5.900 -6.198 1.00 10.00 H new ATOM 0 HG2 MET A 12 -5.068 -5.361 -5.867 1.00 10.00 H new ATOM 0 HG3 MET A 12 -5.101 -4.905 -7.558 1.00 10.00 H new ATOM 0 HE1 MET A 12 -8.071 -3.560 -4.643 1.00 10.00 H new ATOM 0 HE2 MET A 12 -6.817 -4.798 -4.394 1.00 10.00 H new ATOM 0 HE3 MET A 12 -6.543 -3.130 -3.838 1.00 10.00 H new ATOM 186 N THR A 13 -7.034 -9.764 -6.867 1.00 10.00 N ATOM 187 CA THR A 13 -7.899 -10.860 -7.293 1.00 10.00 C ATOM 188 C THR A 13 -9.270 -10.780 -6.616 1.00 10.00 C ATOM 189 O THR A 13 -10.272 -11.156 -7.225 1.00 10.00 O ATOM 190 CB THR A 13 -7.241 -12.238 -7.125 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.130 -12.634 -5.777 1.00 10.00 O ATOM 192 CG2 THR A 13 -5.854 -12.289 -7.773 1.00 10.00 C ATOM 0 H THR A 13 -6.267 -10.042 -6.254 1.00 10.00 H new ATOM 0 HA THR A 13 -8.058 -10.741 -8.365 1.00 10.00 H new ATOM 0 HB THR A 13 -7.907 -12.936 -7.633 1.00 10.00 H new ATOM 0 HG1 THR A 13 -6.795 -11.884 -5.242 1.00 10.00 H new ATOM 0 HG21 THR A 13 -5.423 -13.280 -7.632 1.00 10.00 H new ATOM 0 HG22 THR A 13 -5.943 -12.080 -8.839 1.00 10.00 H new ATOM 0 HG23 THR A 13 -5.208 -11.543 -7.310 1.00 10.00 H new ATOM 200 N CYS A 14 -9.329 -10.282 -5.374 1.00 10.00 N ATOM 201 CA CYS A 14 -10.575 -10.074 -4.662 1.00 10.00 C ATOM 202 C CYS A 14 -10.415 -8.915 -3.683 1.00 10.00 C ATOM 203 O CYS A 14 -9.295 -8.532 -3.350 1.00 10.00 O ATOM 204 CB CYS A 14 -10.968 -11.366 -3.936 1.00 10.00 C ATOM 205 SG CYS A 14 -9.884 -11.806 -2.553 1.00 10.00 S ATOM 0 H CYS A 14 -8.502 -10.014 -4.840 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.370 -9.820 -5.363 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -11.988 -11.264 -3.564 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.971 -12.186 -4.654 1.00 10.00 H new ATOM 0 HG CYS A 14 -10.303 -12.909 -2.007 1.00 10.00 H new ATOM 210 N ALA A 15 -11.525 -8.370 -3.180 1.00 10.00 N ATOM 211 CA ALA A 15 -11.500 -7.295 -2.191 1.00 10.00 C ATOM 212 C ALA A 15 -10.626 -7.654 -0.983 1.00 10.00 C ATOM 213 O ALA A 15 -10.004 -6.787 -0.367 1.00 10.00 O ATOM 214 CB ALA A 15 -12.931 -6.971 -1.755 1.00 10.00 C ATOM 0 H ALA A 15 -12.465 -8.663 -3.448 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.055 -6.413 -2.651 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.914 -6.169 -1.017 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.512 -6.655 -2.621 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.387 -7.858 -1.316 1.00 10.00 H new ATOM 220 N ALA A 16 -10.565 -8.943 -0.638 1.00 10.00 N ATOM 221 CA ALA A 16 -9.748 -9.395 0.470 1.00 10.00 C ATOM 222 C ALA A 16 -8.255 -9.166 0.204 1.00 10.00 C ATOM 223 O ALA A 16 -7.521 -8.939 1.165 1.00 10.00 O ATOM 224 CB ALA A 16 -10.071 -10.847 0.826 1.00 10.00 C ATOM 0 H ALA A 16 -11.075 -9.686 -1.116 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.994 -8.791 1.343 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.446 -11.165 1.660 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -11.121 -10.928 1.108 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.877 -11.485 -0.036 1.00 10.00 H new ATOM 230 N CYS A 17 -7.797 -9.195 -1.058 1.00 10.00 N ATOM 231 CA CYS A 17 -6.432 -8.796 -1.399 1.00 10.00 C ATOM 232 C CYS A 17 -6.196 -7.379 -0.908 1.00 10.00 C ATOM 233 O CYS A 17 -5.263 -7.118 -0.148 1.00 10.00 O ATOM 234 CB CYS A 17 -6.203 -8.831 -2.915 1.00 10.00 C ATOM 235 SG CYS A 17 -6.062 -10.492 -3.602 1.00 10.00 S ATOM 0 H CYS A 17 -8.357 -9.492 -1.857 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.743 -9.495 -0.925 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.027 -8.315 -3.408 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.294 -8.275 -3.147 1.00 10.00 H new ATOM 0 HG CYS A 17 -4.841 -10.696 -3.998 1.00 10.00 H new ATOM 240 N ALA A 18 -7.062 -6.478 -1.369 1.00 10.00 N ATOM 241 CA ALA A 18 -7.032 -5.071 -1.028 1.00 10.00 C ATOM 242 C ALA A 18 -6.943 -4.905 0.498 1.00 10.00 C ATOM 243 O ALA A 18 -5.994 -4.322 1.018 1.00 10.00 O ATOM 244 CB ALA A 18 -8.240 -4.400 -1.678 1.00 10.00 C ATOM 0 H ALA A 18 -7.821 -6.721 -2.006 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.145 -4.572 -1.418 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.240 -3.337 -1.436 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.188 -4.525 -2.759 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.156 -4.858 -1.304 1.00 10.00 H new ATOM 250 N ASN A 19 -7.884 -5.507 1.229 1.00 10.00 N ATOM 251 CA ASN A 19 -7.871 -5.489 2.693 1.00 10.00 C ATOM 252 C ASN A 19 -6.553 -6.039 3.270 1.00 10.00 C ATOM 253 O ASN A 19 -5.993 -5.481 4.218 1.00 10.00 O ATOM 254 CB ASN A 19 -9.083 -6.271 3.212 1.00 10.00 C ATOM 255 CG ASN A 19 -9.224 -6.248 4.734 1.00 10.00 C ATOM 256 OD1 ASN A 19 -8.568 -5.493 5.441 1.00 10.00 O ATOM 257 ND2 ASN A 19 -10.097 -7.098 5.268 1.00 10.00 N ATOM 0 H ASN A 19 -8.670 -6.017 0.827 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.937 -4.455 3.030 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.988 -5.859 2.766 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -9.006 -7.306 2.879 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -10.227 -7.127 6.279 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -10.636 -7.721 4.666 1.00 10.00 H new ATOM 264 N ARG A 20 -6.021 -7.130 2.706 1.00 10.00 N ATOM 265 CA ARG A 20 -4.755 -7.685 3.143 1.00 10.00 C ATOM 266 C ARG A 20 -3.653 -6.631 3.023 1.00 10.00 C ATOM 267 O ARG A 20 -2.802 -6.537 3.912 1.00 10.00 O ATOM 268 CB ARG A 20 -4.404 -8.931 2.318 1.00 10.00 C ATOM 269 CG ARG A 20 -4.485 -10.242 3.110 1.00 10.00 C ATOM 270 CD ARG A 20 -5.923 -10.766 3.115 1.00 10.00 C ATOM 271 NE ARG A 20 -6.044 -11.992 3.923 1.00 10.00 N ATOM 272 CZ ARG A 20 -7.055 -12.873 3.838 1.00 10.00 C ATOM 273 NH1 ARG A 20 -8.029 -12.683 2.943 1.00 10.00 N ATOM 274 NH2 ARG A 20 -7.089 -13.936 4.648 1.00 10.00 N ATOM 0 H ARG A 20 -6.460 -7.642 1.941 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.841 -7.981 4.188 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -5.078 -8.991 1.464 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.395 -8.820 1.920 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.821 -10.985 2.668 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -4.145 -10.079 4.133 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -6.590 -10.000 3.511 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -6.242 -10.969 2.093 1.00 10.00 H new ATOM 0 HE ARG A 20 -5.304 -12.187 4.598 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -8.004 -11.871 2.327 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -8.798 -13.350 2.876 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -6.346 -14.080 5.332 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -7.857 -14.603 4.582 1.00 10.00 H new ATOM 288 N ILE A 21 -3.668 -5.839 1.942 1.00 10.00 N ATOM 289 CA ILE A 21 -2.693 -4.764 1.814 1.00 10.00 C ATOM 290 C ILE A 21 -2.827 -3.836 3.014 1.00 10.00 C ATOM 291 O ILE A 21 -1.827 -3.552 3.661 1.00 10.00 O ATOM 292 CB ILE A 21 -2.750 -3.966 0.492 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.209 -4.814 -0.692 1.00 10.00 C ATOM 294 CG2 ILE A 21 -1.344 -3.423 0.213 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.918 -4.232 -2.079 1.00 10.00 C ATOM 0 H ILE A 21 -4.327 -5.923 1.168 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.714 -5.242 1.789 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.480 -3.165 0.606 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -2.732 -5.792 -0.621 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -4.283 -4.976 -0.604 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -1.352 -2.853 -0.716 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -1.035 -2.775 1.033 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -0.644 -4.254 0.124 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -3.286 -4.915 -2.845 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -3.418 -3.269 -2.182 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.843 -4.097 -2.199 1.00 10.00 H new ATOM 307 N GLU A 22 -4.044 -3.386 3.334 1.00 10.00 N ATOM 308 CA GLU A 22 -4.269 -2.429 4.414 1.00 10.00 C ATOM 309 C GLU A 22 -3.697 -2.958 5.719 1.00 10.00 C ATOM 310 O GLU A 22 -2.990 -2.245 6.431 1.00 10.00 O ATOM 311 CB GLU A 22 -5.757 -2.103 4.575 1.00 10.00 C ATOM 312 CG GLU A 22 -6.311 -1.638 3.234 1.00 10.00 C ATOM 313 CD GLU A 22 -7.670 -0.962 3.316 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.285 -1.022 4.400 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.052 -0.381 2.276 1.00 10.00 O ATOM 0 H GLU A 22 -4.895 -3.675 2.852 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.754 -1.505 4.152 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.300 -2.982 4.922 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.893 -1.327 5.328 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.601 -0.945 2.782 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.386 -2.498 2.568 1.00 10.00 H new ATOM 322 N LYS A 23 -3.983 -4.221 6.026 1.00 10.00 N ATOM 323 CA LYS A 23 -3.427 -4.888 7.177 1.00 10.00 C ATOM 324 C LYS A 23 -1.890 -4.854 7.166 1.00 10.00 C ATOM 325 O LYS A 23 -1.268 -4.414 8.133 1.00 10.00 O ATOM 326 CB LYS A 23 -3.990 -6.308 7.190 1.00 10.00 C ATOM 327 CG LYS A 23 -5.366 -6.363 7.873 1.00 10.00 C ATOM 328 CD LYS A 23 -5.708 -7.757 8.422 1.00 10.00 C ATOM 329 CE LYS A 23 -4.706 -8.200 9.506 1.00 10.00 C ATOM 330 NZ LYS A 23 -5.316 -9.085 10.521 1.00 10.00 N ATOM 0 H LYS A 23 -4.611 -4.805 5.474 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.710 -4.375 8.096 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.075 -6.676 6.168 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.298 -6.970 7.710 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.389 -5.641 8.689 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -6.132 -6.062 7.159 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -6.715 -7.748 8.838 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -5.707 -8.480 7.607 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.871 -8.718 9.033 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -4.296 -7.318 9.998 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.598 -9.352 11.225 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -6.096 -8.585 10.994 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -5.684 -9.941 10.059 1.00 10.00 H new ATOM 344 N ARG A 24 -1.259 -5.320 6.086 1.00 10.00 N ATOM 345 CA ARG A 24 0.200 -5.318 5.992 1.00 10.00 C ATOM 346 C ARG A 24 0.781 -3.907 6.107 1.00 10.00 C ATOM 347 O ARG A 24 1.781 -3.714 6.791 1.00 10.00 O ATOM 348 CB ARG A 24 0.644 -6.000 4.695 1.00 10.00 C ATOM 349 CG ARG A 24 0.935 -7.488 4.936 1.00 10.00 C ATOM 350 CD ARG A 24 2.376 -7.691 5.416 1.00 10.00 C ATOM 351 NE ARG A 24 2.637 -9.111 5.703 1.00 10.00 N ATOM 352 CZ ARG A 24 3.852 -9.644 5.908 1.00 10.00 C ATOM 353 NH1 ARG A 24 4.941 -8.870 5.828 1.00 10.00 N ATOM 354 NH2 ARG A 24 3.970 -10.944 6.203 1.00 10.00 N ATOM 0 H ARG A 24 -1.734 -5.702 5.268 1.00 10.00 H new ATOM 0 HA ARG A 24 0.592 -5.885 6.836 1.00 10.00 H new ATOM 0 HB2 ARG A 24 -0.133 -5.894 3.938 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.536 -5.508 4.307 1.00 10.00 H new ATOM 0 HG2 ARG A 24 0.241 -7.883 5.678 1.00 10.00 H new ATOM 0 HG3 ARG A 24 0.771 -8.049 4.016 1.00 10.00 H new ATOM 0 HD2 ARG A 24 3.071 -7.336 4.655 1.00 10.00 H new ATOM 0 HD3 ARG A 24 2.553 -7.096 6.312 1.00 10.00 H new ATOM 0 HE ARG A 24 1.834 -9.738 5.750 1.00 10.00 H new ATOM 0 HH11 ARG A 24 4.847 -7.878 5.612 1.00 10.00 H new ATOM 0 HH12 ARG A 24 5.865 -9.272 5.983 1.00 10.00 H new ATOM 0 HH21 ARG A 24 3.137 -11.529 6.272 1.00 10.00 H new ATOM 0 HH22 ARG A 24 4.893 -11.350 6.359 1.00 10.00 H new ATOM 368 N LEU A 25 0.160 -2.930 5.451 1.00 10.00 N ATOM 369 CA LEU A 25 0.531 -1.526 5.528 1.00 10.00 C ATOM 370 C LEU A 25 0.479 -1.074 6.986 1.00 10.00 C ATOM 371 O LEU A 25 1.462 -0.554 7.502 1.00 10.00 O ATOM 372 CB LEU A 25 -0.403 -0.693 4.634 1.00 10.00 C ATOM 373 CG LEU A 25 -0.079 -0.860 3.138 1.00 10.00 C ATOM 374 CD1 LEU A 25 -1.317 -0.602 2.268 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.029 0.115 2.730 1.00 10.00 C ATOM 0 H LEU A 25 -0.636 -3.101 4.836 1.00 10.00 H new ATOM 0 HA LEU A 25 1.548 -1.381 5.164 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.436 -0.989 4.815 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.321 0.359 4.906 1.00 10.00 H new ATOM 0 HG LEU A 25 0.251 -1.887 2.982 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -1.056 -0.728 1.217 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.102 -1.310 2.534 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.673 0.415 2.434 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.252 -0.010 1.670 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.699 1.138 2.913 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.926 -0.088 3.316 1.00 10.00 H new ATOM 387 N ASN A 26 -0.643 -1.319 7.669 1.00 10.00 N ATOM 388 CA ASN A 26 -0.810 -1.016 9.087 1.00 10.00 C ATOM 389 C ASN A 26 0.291 -1.659 9.931 1.00 10.00 C ATOM 390 O ASN A 26 0.722 -1.084 10.926 1.00 10.00 O ATOM 391 CB ASN A 26 -2.187 -1.480 9.578 1.00 10.00 C ATOM 392 CG ASN A 26 -3.250 -0.398 9.415 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.602 0.284 10.370 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.783 -0.236 8.209 1.00 10.00 N ATOM 0 H ASN A 26 -1.470 -1.739 7.244 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.736 0.065 9.203 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.488 -2.369 9.024 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.120 -1.766 10.628 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.504 0.470 8.061 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.471 -0.818 7.431 1.00 10.00 H new ATOM 401 N LYS A 27 0.744 -2.856 9.550 1.00 10.00 N ATOM 402 CA LYS A 27 1.839 -3.533 10.234 1.00 10.00 C ATOM 403 C LYS A 27 3.163 -2.747 10.177 1.00 10.00 C ATOM 404 O LYS A 27 4.071 -3.062 10.946 1.00 10.00 O ATOM 405 CB LYS A 27 2.028 -4.951 9.668 1.00 10.00 C ATOM 406 CG LYS A 27 2.610 -5.918 10.713 1.00 10.00 C ATOM 407 CD LYS A 27 3.336 -7.084 10.027 1.00 10.00 C ATOM 408 CE LYS A 27 4.744 -6.673 9.557 1.00 10.00 C ATOM 409 NZ LYS A 27 5.791 -6.973 10.559 1.00 10.00 N ATOM 0 H LYS A 27 0.361 -3.378 8.762 1.00 10.00 H new ATOM 0 HA LYS A 27 1.561 -3.597 11.286 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.069 -5.332 9.317 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.691 -4.911 8.803 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.302 -5.384 11.364 1.00 10.00 H new ATOM 0 HG3 LYS A 27 1.810 -6.303 11.346 1.00 10.00 H new ATOM 0 HD2 LYS A 27 3.412 -7.924 10.718 1.00 10.00 H new ATOM 0 HD3 LYS A 27 2.751 -7.426 9.173 1.00 10.00 H new ATOM 0 HE2 LYS A 27 4.978 -7.191 8.627 1.00 10.00 H new ATOM 0 HE3 LYS A 27 4.752 -5.605 9.338 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 6.718 -6.677 10.192 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 5.587 -6.458 11.439 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 5.805 -7.995 10.751 1.00 10.00 H new ATOM 423 N ILE A 28 3.323 -1.794 9.251 1.00 10.00 N ATOM 424 CA ILE A 28 4.530 -0.979 9.160 1.00 10.00 C ATOM 425 C ILE A 28 4.494 0.096 10.247 1.00 10.00 C ATOM 426 O ILE A 28 3.458 0.702 10.512 1.00 10.00 O ATOM 427 CB ILE A 28 4.667 -0.337 7.768 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.628 -1.406 6.663 1.00 10.00 C ATOM 429 CG2 ILE A 28 5.965 0.480 7.656 1.00 10.00 C ATOM 430 CD1 ILE A 28 4.517 -0.787 5.277 1.00 10.00 C ATOM 0 H ILE A 28 2.619 -1.570 8.548 1.00 10.00 H new ATOM 0 HA ILE A 28 5.399 -1.620 9.310 1.00 10.00 H new ATOM 0 HB ILE A 28 3.820 0.337 7.637 1.00 10.00 H new ATOM 0 HG12 ILE A 28 5.529 -2.016 6.717 1.00 10.00 H new ATOM 0 HG13 ILE A 28 3.782 -2.072 6.832 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.033 0.921 6.661 1.00 10.00 H new ATOM 0 HG22 ILE A 28 5.962 1.272 8.405 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.822 -0.173 7.823 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.493 -1.577 4.527 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.602 -0.198 5.214 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.377 -0.142 5.097 1.00 10.00 H new ATOM 442 N GLU A 29 5.650 0.352 10.850 1.00 10.00 N ATOM 443 CA GLU A 29 5.825 1.319 11.916 1.00 10.00 C ATOM 444 C GLU A 29 6.152 2.679 11.289 1.00 10.00 C ATOM 445 O GLU A 29 7.061 2.776 10.466 1.00 10.00 O ATOM 446 CB GLU A 29 6.918 0.797 12.860 1.00 10.00 C ATOM 447 CG GLU A 29 6.533 -0.595 13.396 1.00 10.00 C ATOM 448 CD GLU A 29 7.595 -1.180 14.315 1.00 10.00 C ATOM 449 OE1 GLU A 29 7.713 -0.660 15.445 1.00 10.00 O ATOM 450 OE2 GLU A 29 8.250 -2.150 13.876 1.00 10.00 O ATOM 0 H GLU A 29 6.516 -0.126 10.599 1.00 10.00 H new ATOM 0 HA GLU A 29 4.922 1.453 12.511 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.870 0.741 12.332 1.00 10.00 H new ATOM 0 HB3 GLU A 29 7.054 1.490 13.690 1.00 10.00 H new ATOM 0 HG2 GLU A 29 5.589 -0.524 13.936 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.371 -1.272 12.557 1.00 10.00 H new ATOM 457 N GLY A 30 5.382 3.717 11.631 1.00 10.00 N ATOM 458 CA GLY A 30 5.533 5.061 11.074 1.00 10.00 C ATOM 459 C GLY A 30 4.597 5.330 9.889 1.00 10.00 C ATOM 460 O GLY A 30 4.767 6.324 9.179 1.00 10.00 O ATOM 0 H GLY A 30 4.626 3.644 12.312 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.340 5.796 11.856 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.565 5.201 10.753 1.00 10.00 H new ATOM 464 N VAL A 31 3.585 4.475 9.695 1.00 10.00 N ATOM 465 CA VAL A 31 2.475 4.727 8.787 1.00 10.00 C ATOM 466 C VAL A 31 1.370 5.440 9.575 1.00 10.00 C ATOM 467 O VAL A 31 1.197 5.172 10.762 1.00 10.00 O ATOM 468 CB VAL A 31 2.000 3.395 8.172 1.00 10.00 C ATOM 469 CG1 VAL A 31 1.167 2.564 9.156 1.00 10.00 C ATOM 470 CG2 VAL A 31 1.188 3.604 6.887 1.00 10.00 C ATOM 0 H VAL A 31 3.520 3.577 10.175 1.00 10.00 H new ATOM 0 HA VAL A 31 2.774 5.369 7.958 1.00 10.00 H new ATOM 0 HB VAL A 31 2.912 2.849 7.930 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.856 1.636 8.676 1.00 10.00 H new ATOM 0 HG12 VAL A 31 1.767 2.334 10.037 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.285 3.131 9.455 1.00 10.00 H new ATOM 0 HG21 VAL A 31 0.876 2.637 6.492 1.00 10.00 H new ATOM 0 HG22 VAL A 31 0.307 4.207 7.107 1.00 10.00 H new ATOM 0 HG23 VAL A 31 1.803 4.117 6.147 1.00 10.00 H new ATOM 480 N ALA A 32 0.624 6.338 8.928 1.00 10.00 N ATOM 481 CA ALA A 32 -0.583 6.927 9.494 1.00 10.00 C ATOM 482 C ALA A 32 -1.792 6.096 9.076 1.00 10.00 C ATOM 483 O ALA A 32 -2.589 5.705 9.925 1.00 10.00 O ATOM 484 CB ALA A 32 -0.736 8.385 9.058 1.00 10.00 C ATOM 0 H ALA A 32 0.845 6.676 7.991 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.509 6.922 10.581 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.644 8.802 9.494 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.126 8.959 9.398 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.799 8.435 7.971 1.00 10.00 H new ATOM 490 N ASN A 33 -1.944 5.830 7.774 1.00 10.00 N ATOM 491 CA ASN A 33 -3.033 5.023 7.236 1.00 10.00 C ATOM 492 C ASN A 33 -2.744 4.786 5.759 1.00 10.00 C ATOM 493 O ASN A 33 -1.763 5.308 5.233 1.00 10.00 O ATOM 494 CB ASN A 33 -4.409 5.682 7.430 1.00 10.00 C ATOM 495 CG ASN A 33 -4.508 6.998 6.673 1.00 10.00 C ATOM 496 OD1 ASN A 33 -4.805 7.007 5.483 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.243 8.100 7.364 1.00 10.00 N ATOM 0 H ASN A 33 -1.304 6.176 7.059 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.081 4.079 7.778 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -5.190 5.004 7.087 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -4.583 5.858 8.492 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -4.281 9.011 6.906 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.001 8.036 8.353 1.00 10.00 H new ATOM 504 N ALA A 34 -3.575 3.977 5.103 1.00 10.00 N ATOM 505 CA ALA A 34 -3.336 3.501 3.753 1.00 10.00 C ATOM 506 C ALA A 34 -4.523 2.734 3.143 1.00 10.00 C ATOM 507 O ALA A 34 -4.364 1.565 2.796 1.00 10.00 O ATOM 508 CB ALA A 34 -2.078 2.630 3.773 1.00 10.00 C ATOM 0 H ALA A 34 -4.446 3.632 5.507 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.202 4.371 3.110 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -1.876 2.259 2.768 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.231 3.223 4.118 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.230 1.787 4.447 1.00 10.00 H new ATOM 514 N PRO A 35 -5.709 3.349 3.002 1.00 10.00 N ATOM 515 CA PRO A 35 -6.876 2.682 2.441 1.00 10.00 C ATOM 516 C PRO A 35 -6.741 2.509 0.919 1.00 10.00 C ATOM 517 O PRO A 35 -6.429 3.475 0.219 1.00 10.00 O ATOM 518 CB PRO A 35 -8.061 3.578 2.807 1.00 10.00 C ATOM 519 CG PRO A 35 -7.437 4.975 2.863 1.00 10.00 C ATOM 520 CD PRO A 35 -6.036 4.705 3.414 1.00 10.00 C ATOM 0 HA PRO A 35 -7.000 1.674 2.837 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -8.855 3.521 2.062 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.500 3.294 3.763 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.400 5.440 1.878 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.003 5.644 3.511 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.315 5.420 3.018 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.017 4.800 4.500 1.00 10.00 H new ATOM 528 N VAL A 36 -6.976 1.298 0.398 1.00 10.00 N ATOM 529 CA VAL A 36 -6.849 0.985 -1.023 1.00 10.00 C ATOM 530 C VAL A 36 -8.212 0.888 -1.718 1.00 10.00 C ATOM 531 O VAL A 36 -9.161 0.341 -1.158 1.00 10.00 O ATOM 532 CB VAL A 36 -5.988 -0.276 -1.182 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.477 -1.473 -0.372 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.874 -0.686 -2.650 1.00 10.00 C ATOM 0 H VAL A 36 -7.264 0.499 0.964 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.341 1.805 -1.532 1.00 10.00 H new ATOM 0 HB VAL A 36 -5.011 0.004 -0.787 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -5.814 -2.322 -0.540 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -6.479 -1.219 0.688 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -7.488 -1.735 -0.684 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.258 -1.582 -2.731 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -6.868 -0.891 -3.049 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.415 0.122 -3.219 1.00 10.00 H new ATOM 544 N ASN A 37 -8.330 1.415 -2.948 1.00 10.00 N ATOM 545 CA ASN A 37 -9.571 1.322 -3.705 1.00 10.00 C ATOM 546 C ASN A 37 -9.697 -0.026 -4.410 1.00 10.00 C ATOM 547 O ASN A 37 -8.722 -0.761 -4.539 1.00 10.00 O ATOM 548 CB ASN A 37 -9.700 2.491 -4.693 1.00 10.00 C ATOM 549 CG ASN A 37 -8.907 2.370 -6.001 1.00 10.00 C ATOM 550 OD1 ASN A 37 -8.970 1.392 -6.739 1.00 10.00 O ATOM 551 ND2 ASN A 37 -8.217 3.431 -6.378 1.00 10.00 N ATOM 0 H ASN A 37 -7.578 1.907 -3.431 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.398 1.392 -2.999 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -10.754 2.612 -4.943 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -9.385 3.403 -4.186 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.739 3.435 -7.279 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -8.162 4.247 -5.768 1.00 10.00 H new ATOM 558 N PHE A 38 -10.898 -0.320 -4.913 1.00 10.00 N ATOM 559 CA PHE A 38 -11.143 -1.442 -5.811 1.00 10.00 C ATOM 560 C PHE A 38 -11.871 -0.908 -7.046 1.00 10.00 C ATOM 561 O PHE A 38 -12.940 -1.394 -7.410 1.00 10.00 O ATOM 562 CB PHE A 38 -11.925 -2.541 -5.074 1.00 10.00 C ATOM 563 CG PHE A 38 -11.615 -3.947 -5.558 1.00 10.00 C ATOM 564 CD1 PHE A 38 -12.195 -4.452 -6.737 1.00 10.00 C ATOM 565 CD2 PHE A 38 -10.658 -4.715 -4.872 1.00 10.00 C ATOM 566 CE1 PHE A 38 -11.800 -5.706 -7.236 1.00 10.00 C ATOM 567 CE2 PHE A 38 -10.266 -5.968 -5.370 1.00 10.00 C ATOM 568 CZ PHE A 38 -10.833 -6.465 -6.555 1.00 10.00 C ATOM 0 H PHE A 38 -11.735 0.223 -4.703 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.211 -1.903 -6.140 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.705 -2.477 -4.008 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.993 -2.354 -5.191 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -12.944 -3.876 -7.259 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -10.222 -4.340 -3.958 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -12.241 -6.087 -8.145 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.527 -6.551 -4.841 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.527 -7.426 -6.941 1.00 10.00 H new ATOM 578 N ALA A 39 -11.319 0.146 -7.655 1.00 10.00 N ATOM 579 CA ALA A 39 -11.900 0.768 -8.839 1.00 10.00 C ATOM 580 C ALA A 39 -10.816 1.138 -9.848 1.00 10.00 C ATOM 581 O ALA A 39 -10.883 0.738 -11.006 1.00 10.00 O ATOM 582 CB ALA A 39 -12.721 1.993 -8.426 1.00 10.00 C ATOM 0 H ALA A 39 -10.457 0.589 -7.338 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.564 0.054 -9.327 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.154 2.456 -9.312 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.519 1.685 -7.751 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.075 2.711 -7.921 1.00 10.00 H new ATOM 588 N LEU A 40 -9.832 1.929 -9.412 1.00 10.00 N ATOM 589 CA LEU A 40 -8.782 2.465 -10.283 1.00 10.00 C ATOM 590 C LEU A 40 -7.511 1.624 -10.171 1.00 10.00 C ATOM 591 O LEU A 40 -6.593 1.771 -10.970 1.00 10.00 O ATOM 592 CB LEU A 40 -8.496 3.940 -9.952 1.00 10.00 C ATOM 593 CG LEU A 40 -9.753 4.800 -9.890 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.878 5.585 -8.579 1.00 10.00 C ATOM 595 CD2 LEU A 40 -9.878 5.749 -11.088 1.00 10.00 C ATOM 0 H LEU A 40 -9.741 2.218 -8.438 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.134 2.415 -11.313 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -7.978 3.996 -8.994 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.821 4.349 -10.704 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.580 4.091 -9.931 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.793 6.178 -8.596 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.911 4.890 -7.740 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.019 6.247 -8.468 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.791 6.337 -10.993 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.017 6.417 -11.115 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -9.915 5.168 -12.010 1.00 10.00 H new ATOM 607 N GLU A 41 -7.476 0.768 -9.148 1.00 10.00 N ATOM 608 CA GLU A 41 -6.359 -0.100 -8.788 1.00 10.00 C ATOM 609 C GLU A 41 -5.217 0.772 -8.246 1.00 10.00 C ATOM 610 O GLU A 41 -4.058 0.664 -8.643 1.00 10.00 O ATOM 611 CB GLU A 41 -5.979 -1.052 -9.945 1.00 10.00 C ATOM 612 CG GLU A 41 -5.693 -2.473 -9.424 1.00 10.00 C ATOM 613 CD GLU A 41 -5.185 -3.457 -10.484 1.00 10.00 C ATOM 614 OE1 GLU A 41 -5.491 -3.218 -11.672 1.00 10.00 O ATOM 615 OE2 GLU A 41 -4.550 -4.464 -10.084 1.00 10.00 O ATOM 0 H GLU A 41 -8.269 0.658 -8.516 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.639 -0.783 -7.986 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -6.789 -1.085 -10.674 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.100 -0.667 -10.462 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -4.955 -2.410 -8.624 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -6.606 -2.874 -8.984 1.00 10.00 H new ATOM 622 N THR A 42 -5.582 1.641 -7.295 1.00 10.00 N ATOM 623 CA THR A 42 -4.694 2.581 -6.626 1.00 10.00 C ATOM 624 C THR A 42 -4.969 2.603 -5.120 1.00 10.00 C ATOM 625 O THR A 42 -6.096 2.369 -4.670 1.00 10.00 O ATOM 626 CB THR A 42 -4.755 3.971 -7.294 1.00 10.00 C ATOM 627 OG1 THR A 42 -3.767 4.027 -8.301 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.490 5.137 -6.339 1.00 10.00 C ATOM 0 H THR A 42 -6.544 1.706 -6.962 1.00 10.00 H new ATOM 0 HA THR A 42 -3.663 2.246 -6.740 1.00 10.00 H new ATOM 0 HB THR A 42 -5.770 4.081 -7.676 1.00 10.00 H new ATOM 0 HG1 THR A 42 -2.887 3.856 -7.906 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.551 6.077 -6.887 1.00 10.00 H new ATOM 0 HG22 THR A 42 -5.235 5.132 -5.543 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.495 5.034 -5.906 1.00 10.00 H new ATOM 636 N VAL A 43 -3.910 2.863 -4.347 1.00 10.00 N ATOM 637 CA VAL A 43 -3.962 3.088 -2.910 1.00 10.00 C ATOM 638 C VAL A 43 -3.372 4.461 -2.593 1.00 10.00 C ATOM 639 O VAL A 43 -2.304 4.797 -3.107 1.00 10.00 O ATOM 640 CB VAL A 43 -3.240 1.948 -2.160 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.796 1.733 -2.622 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.242 2.164 -0.643 1.00 10.00 C ATOM 0 H VAL A 43 -2.964 2.923 -4.723 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.997 3.081 -2.568 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.813 1.054 -2.405 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.350 0.917 -2.053 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.787 1.483 -3.683 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.222 2.645 -2.459 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.723 1.338 -0.157 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.734 3.099 -0.408 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.270 2.209 -0.283 1.00 10.00 H new ATOM 652 N THR A 44 -4.060 5.212 -1.730 1.00 10.00 N ATOM 653 CA THR A 44 -3.541 6.413 -1.093 1.00 10.00 C ATOM 654 C THR A 44 -2.893 5.961 0.211 1.00 10.00 C ATOM 655 O THR A 44 -3.545 5.267 0.987 1.00 10.00 O ATOM 656 CB THR A 44 -4.698 7.379 -0.796 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.509 7.534 -1.940 1.00 10.00 O ATOM 658 CG2 THR A 44 -4.184 8.752 -0.349 1.00 10.00 C ATOM 0 H THR A 44 -5.016 4.992 -1.452 1.00 10.00 H new ATOM 0 HA THR A 44 -2.824 6.929 -1.732 1.00 10.00 H new ATOM 0 HB THR A 44 -5.284 6.949 0.017 1.00 10.00 H new ATOM 0 HG1 THR A 44 -4.989 7.958 -2.654 1.00 10.00 H new ATOM 0 HG21 THR A 44 -5.030 9.409 -0.148 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.588 8.640 0.557 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.568 9.184 -1.138 1.00 10.00 H new ATOM 666 N VAL A 45 -1.634 6.322 0.457 1.00 10.00 N ATOM 667 CA VAL A 45 -0.915 6.000 1.681 1.00 10.00 C ATOM 668 C VAL A 45 -0.499 7.293 2.362 1.00 10.00 C ATOM 669 O VAL A 45 0.112 8.155 1.731 1.00 10.00 O ATOM 670 CB VAL A 45 0.287 5.098 1.376 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.044 4.672 2.643 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.227 3.840 0.671 1.00 10.00 C ATOM 0 H VAL A 45 -1.076 6.859 -0.207 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.562 5.445 2.360 1.00 10.00 H new ATOM 0 HB VAL A 45 0.980 5.663 0.753 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.885 4.035 2.368 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.414 5.557 3.161 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.372 4.121 3.301 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.612 3.182 0.444 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.930 3.320 1.322 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.729 4.121 -0.255 1.00 10.00 H new ATOM 682 N GLU A 46 -0.812 7.398 3.654 1.00 10.00 N ATOM 683 CA GLU A 46 -0.335 8.456 4.518 1.00 10.00 C ATOM 684 C GLU A 46 0.714 7.867 5.463 1.00 10.00 C ATOM 685 O GLU A 46 0.403 6.976 6.254 1.00 10.00 O ATOM 686 CB GLU A 46 -1.534 9.044 5.265 1.00 10.00 C ATOM 687 CG GLU A 46 -2.451 9.783 4.281 1.00 10.00 C ATOM 688 CD GLU A 46 -3.559 10.592 4.951 1.00 10.00 C ATOM 689 OE1 GLU A 46 -3.731 10.437 6.179 1.00 10.00 O ATOM 690 OE2 GLU A 46 -4.211 11.369 4.223 1.00 10.00 O ATOM 0 H GLU A 46 -1.418 6.730 4.131 1.00 10.00 H new ATOM 0 HA GLU A 46 0.136 9.263 3.957 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.088 8.249 5.765 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.190 9.729 6.040 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -1.846 10.452 3.669 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -2.903 9.056 3.606 1.00 10.00 H new ATOM 697 N TYR A 47 1.958 8.352 5.377 1.00 10.00 N ATOM 698 CA TYR A 47 3.064 7.988 6.255 1.00 10.00 C ATOM 699 C TYR A 47 4.050 9.144 6.287 1.00 10.00 C ATOM 700 O TYR A 47 3.939 10.063 5.477 1.00 10.00 O ATOM 701 CB TYR A 47 3.786 6.729 5.761 1.00 10.00 C ATOM 702 CG TYR A 47 4.587 6.909 4.484 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.948 6.894 3.231 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.960 7.208 4.559 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.690 7.127 2.061 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.670 7.559 3.400 1.00 10.00 C ATOM 707 CZ TYR A 47 6.040 7.498 2.148 1.00 10.00 C ATOM 708 OH TYR A 47 6.750 7.757 1.014 1.00 10.00 O ATOM 0 H TYR A 47 2.227 9.033 4.667 1.00 10.00 H new ATOM 0 HA TYR A 47 2.667 7.780 7.248 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.456 6.381 6.547 1.00 10.00 H new ATOM 0 HB3 TYR A 47 3.047 5.944 5.601 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.887 6.703 3.168 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.469 7.167 5.511 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.221 7.020 1.094 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.700 7.876 3.472 1.00 10.00 H new ATOM 0 HH TYR A 47 7.669 8.001 1.252 1.00 10.00 H new ATOM 718 N ASN A 48 5.016 9.075 7.203 1.00 10.00 N ATOM 719 CA ASN A 48 6.082 10.051 7.338 1.00 10.00 C ATOM 720 C ASN A 48 7.440 9.405 7.029 1.00 10.00 C ATOM 721 O ASN A 48 7.770 8.389 7.645 1.00 10.00 O ATOM 722 CB ASN A 48 6.052 10.658 8.742 1.00 10.00 C ATOM 723 CG ASN A 48 5.948 9.665 9.898 1.00 10.00 C ATOM 724 OD1 ASN A 48 4.887 9.525 10.497 1.00 10.00 O ATOM 725 ND2 ASN A 48 7.043 9.002 10.253 1.00 10.00 N ATOM 0 H ASN A 48 5.075 8.319 7.885 1.00 10.00 H new ATOM 0 HA ASN A 48 5.931 10.855 6.618 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.956 11.252 8.879 1.00 10.00 H new ATOM 0 HB3 ASN A 48 5.208 11.345 8.802 1.00 10.00 H new ATOM 0 HD21 ASN A 48 7.015 8.357 11.042 1.00 10.00 H new ATOM 0 HD22 ASN A 48 7.912 9.138 9.736 1.00 10.00 H new ATOM 732 N PRO A 49 8.245 9.970 6.112 1.00 10.00 N ATOM 733 CA PRO A 49 9.522 9.416 5.690 1.00 10.00 C ATOM 734 C PRO A 49 10.549 9.560 6.811 1.00 10.00 C ATOM 735 O PRO A 49 11.393 10.454 6.800 1.00 10.00 O ATOM 736 CB PRO A 49 9.910 10.174 4.415 1.00 10.00 C ATOM 737 CG PRO A 49 9.238 11.530 4.603 1.00 10.00 C ATOM 738 CD PRO A 49 7.949 11.157 5.333 1.00 10.00 C ATOM 0 HA PRO A 49 9.470 8.348 5.478 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.991 10.270 4.316 1.00 10.00 H new ATOM 0 HB3 PRO A 49 9.552 9.667 3.519 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.855 12.211 5.189 1.00 10.00 H new ATOM 0 HG3 PRO A 49 9.038 12.020 3.650 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.619 11.972 5.978 1.00 10.00 H new ATOM 0 HD3 PRO A 49 7.144 10.965 4.624 1.00 10.00 H new ATOM 746 N LYS A 50 10.455 8.666 7.794 1.00 10.00 N ATOM 747 CA LYS A 50 11.393 8.565 8.895 1.00 10.00 C ATOM 748 C LYS A 50 11.718 7.093 9.134 1.00 10.00 C ATOM 749 O LYS A 50 12.885 6.710 9.082 1.00 10.00 O ATOM 750 CB LYS A 50 10.815 9.271 10.136 1.00 10.00 C ATOM 751 CG LYS A 50 11.926 9.862 11.013 1.00 10.00 C ATOM 752 CD LYS A 50 12.398 11.206 10.429 1.00 10.00 C ATOM 753 CE LYS A 50 13.694 11.713 11.076 1.00 10.00 C ATOM 754 NZ LYS A 50 13.557 11.918 12.533 1.00 10.00 N ATOM 0 H LYS A 50 9.704 7.978 7.842 1.00 10.00 H new ATOM 0 HA LYS A 50 12.330 9.070 8.660 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.137 10.064 9.822 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.228 8.562 10.719 1.00 10.00 H new ATOM 0 HG2 LYS A 50 11.560 10.006 12.030 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.764 9.167 11.071 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.552 11.096 9.355 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.614 11.951 10.564 1.00 10.00 H new ATOM 0 HE2 LYS A 50 14.495 10.998 10.887 1.00 10.00 H new ATOM 0 HE3 LYS A 50 13.988 12.652 10.606 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 14.448 12.293 12.916 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 12.789 12.595 12.718 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 13.337 11.011 12.992 1.00 10.00 H new ATOM 768 N GLU A 51 10.682 6.286 9.378 1.00 10.00 N ATOM 769 CA GLU A 51 10.800 4.861 9.661 1.00 10.00 C ATOM 770 C GLU A 51 10.140 4.012 8.566 1.00 10.00 C ATOM 771 O GLU A 51 10.535 2.867 8.362 1.00 10.00 O ATOM 772 CB GLU A 51 10.213 4.575 11.049 1.00 10.00 C ATOM 773 CG GLU A 51 10.840 5.501 12.103 1.00 10.00 C ATOM 774 CD GLU A 51 10.397 5.135 13.510 1.00 10.00 C ATOM 775 OE1 GLU A 51 9.280 5.562 13.872 1.00 10.00 O ATOM 776 OE2 GLU A 51 11.193 4.458 14.196 1.00 10.00 O ATOM 0 H GLU A 51 9.717 6.617 9.383 1.00 10.00 H new ATOM 0 HA GLU A 51 11.853 4.581 9.664 1.00 10.00 H new ATOM 0 HB2 GLU A 51 9.132 4.717 11.029 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.393 3.534 11.318 1.00 10.00 H new ATOM 0 HG2 GLU A 51 11.926 5.443 12.037 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.562 6.534 11.891 1.00 10.00 H new ATOM 783 N ALA A 52 9.160 4.575 7.848 1.00 10.00 N ATOM 784 CA ALA A 52 8.477 3.945 6.727 1.00 10.00 C ATOM 785 C ALA A 52 8.760 4.764 5.472 1.00 10.00 C ATOM 786 O ALA A 52 8.861 5.986 5.560 1.00 10.00 O ATOM 787 CB ALA A 52 6.973 3.923 7.005 1.00 10.00 C ATOM 0 H ALA A 52 8.814 5.514 8.044 1.00 10.00 H new ATOM 0 HA ALA A 52 8.829 2.923 6.589 1.00 10.00 H new ATOM 0 HB1 ALA A 52 6.455 3.452 6.169 1.00 10.00 H new ATOM 0 HB2 ALA A 52 6.780 3.357 7.916 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.611 4.944 7.128 1.00 10.00 H new ATOM 793 N SER A 53 8.855 4.101 4.318 1.00 10.00 N ATOM 794 CA SER A 53 9.066 4.731 3.024 1.00 10.00 C ATOM 795 C SER A 53 8.324 3.936 1.954 1.00 10.00 C ATOM 796 O SER A 53 8.037 2.754 2.143 1.00 10.00 O ATOM 797 CB SER A 53 10.559 4.779 2.683 1.00 10.00 C ATOM 798 OG SER A 53 11.309 5.307 3.758 1.00 10.00 O ATOM 0 H SER A 53 8.785 3.085 4.262 1.00 10.00 H new ATOM 0 HA SER A 53 8.687 5.752 3.062 1.00 10.00 H new ATOM 0 HB2 SER A 53 10.914 3.776 2.446 1.00 10.00 H new ATOM 0 HB3 SER A 53 10.713 5.390 1.793 1.00 10.00 H new ATOM 0 HG SER A 53 12.259 5.326 3.516 1.00 10.00 H new ATOM 804 N VAL A 54 8.080 4.570 0.803 1.00 10.00 N ATOM 805 CA VAL A 54 7.416 3.950 -0.336 1.00 10.00 C ATOM 806 C VAL A 54 8.111 2.643 -0.729 1.00 10.00 C ATOM 807 O VAL A 54 7.460 1.616 -0.886 1.00 10.00 O ATOM 808 CB VAL A 54 7.275 4.961 -1.491 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.599 5.566 -1.977 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.541 4.330 -2.680 1.00 10.00 C ATOM 0 H VAL A 54 8.344 5.542 0.639 1.00 10.00 H new ATOM 0 HA VAL A 54 6.401 3.667 -0.058 1.00 10.00 H new ATOM 0 HB VAL A 54 6.694 5.783 -1.072 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.403 6.265 -2.790 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.082 6.093 -1.154 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.254 4.770 -2.333 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.453 5.062 -3.483 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.101 3.466 -3.036 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.546 4.013 -2.367 1.00 10.00 H new ATOM 820 N SER A 55 9.441 2.665 -0.849 1.00 10.00 N ATOM 821 CA SER A 55 10.212 1.474 -1.185 1.00 10.00 C ATOM 822 C SER A 55 10.093 0.379 -0.121 1.00 10.00 C ATOM 823 O SER A 55 10.165 -0.799 -0.457 1.00 10.00 O ATOM 824 CB SER A 55 11.679 1.854 -1.407 1.00 10.00 C ATOM 825 OG SER A 55 11.785 2.758 -2.493 1.00 10.00 O ATOM 0 H SER A 55 10.006 3.504 -0.716 1.00 10.00 H new ATOM 0 HA SER A 55 9.798 1.061 -2.105 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.087 2.308 -0.504 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.269 0.960 -1.608 1.00 10.00 H new ATOM 0 HG SER A 55 12.725 2.998 -2.628 1.00 10.00 H new ATOM 831 N ASP A 56 9.927 0.756 1.149 1.00 10.00 N ATOM 832 CA ASP A 56 9.847 -0.206 2.236 1.00 10.00 C ATOM 833 C ASP A 56 8.502 -0.923 2.161 1.00 10.00 C ATOM 834 O ASP A 56 8.436 -2.133 1.931 1.00 10.00 O ATOM 835 CB ASP A 56 10.037 0.509 3.577 1.00 10.00 C ATOM 836 CG ASP A 56 9.953 -0.491 4.720 1.00 10.00 C ATOM 837 OD1 ASP A 56 8.807 -0.771 5.132 1.00 10.00 O ATOM 838 OD2 ASP A 56 11.033 -0.960 5.136 1.00 10.00 O ATOM 0 H ASP A 56 9.846 1.729 1.445 1.00 10.00 H new ATOM 0 HA ASP A 56 10.639 -0.949 2.147 1.00 10.00 H new ATOM 0 HB2 ASP A 56 11.003 1.013 3.595 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.274 1.278 3.699 1.00 10.00 H new ATOM 843 N LEU A 57 7.416 -0.148 2.255 1.00 10.00 N ATOM 844 CA LEU A 57 6.069 -0.680 2.143 1.00 10.00 C ATOM 845 C LEU A 57 5.882 -1.442 0.836 1.00 10.00 C ATOM 846 O LEU A 57 5.145 -2.429 0.815 1.00 10.00 O ATOM 847 CB LEU A 57 5.017 0.413 2.376 1.00 10.00 C ATOM 848 CG LEU A 57 4.926 1.479 1.283 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.160 0.990 0.043 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.257 2.725 1.869 1.00 10.00 C ATOM 0 H LEU A 57 7.454 0.859 2.410 1.00 10.00 H new ATOM 0 HA LEU A 57 5.918 -1.411 2.937 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.041 -0.062 2.479 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.234 0.906 3.324 1.00 10.00 H new ATOM 0 HG LEU A 57 5.937 1.711 0.947 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.126 1.786 -0.701 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.666 0.121 -0.378 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.144 0.715 0.328 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.185 3.495 1.101 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.258 2.470 2.222 1.00 10.00 H new ATOM 0 HD23 LEU A 57 4.851 3.099 2.703 1.00 10.00 H new ATOM 862 N LYS A 58 6.569 -1.029 -0.240 1.00 10.00 N ATOM 863 CA LYS A 58 6.635 -1.821 -1.457 1.00 10.00 C ATOM 864 C LYS A 58 6.880 -3.286 -1.095 1.00 10.00 C ATOM 865 O LYS A 58 6.064 -4.127 -1.456 1.00 10.00 O ATOM 866 CB LYS A 58 7.734 -1.318 -2.411 1.00 10.00 C ATOM 867 CG LYS A 58 7.399 -1.450 -3.901 1.00 10.00 C ATOM 868 CD LYS A 58 6.772 -2.799 -4.284 1.00 10.00 C ATOM 869 CE LYS A 58 7.239 -3.312 -5.650 1.00 10.00 C ATOM 870 NZ LYS A 58 8.409 -4.203 -5.503 1.00 10.00 N ATOM 0 H LYS A 58 7.084 -0.149 -0.283 1.00 10.00 H new ATOM 0 HA LYS A 58 5.683 -1.721 -1.979 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.937 -0.270 -2.190 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.652 -1.870 -2.209 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.714 -0.650 -4.181 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.310 -1.307 -4.482 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.019 -3.537 -3.521 1.00 10.00 H new ATOM 0 HD3 LYS A 58 5.687 -2.699 -4.292 1.00 10.00 H new ATOM 0 HE2 LYS A 58 6.426 -3.849 -6.139 1.00 10.00 H new ATOM 0 HE3 LYS A 58 7.496 -2.469 -6.292 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 8.883 -4.308 -6.423 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.073 -3.793 -4.816 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 8.095 -5.136 -5.167 1.00 10.00 H new ATOM 884 N GLU A 59 7.977 -3.609 -0.401 1.00 10.00 N ATOM 885 CA GLU A 59 8.313 -5.004 -0.136 1.00 10.00 C ATOM 886 C GLU A 59 7.203 -5.678 0.669 1.00 10.00 C ATOM 887 O GLU A 59 6.900 -6.844 0.456 1.00 10.00 O ATOM 888 CB GLU A 59 9.664 -5.151 0.580 1.00 10.00 C ATOM 889 CG GLU A 59 10.221 -6.555 0.278 1.00 10.00 C ATOM 890 CD GLU A 59 11.289 -7.019 1.260 1.00 10.00 C ATOM 891 OE1 GLU A 59 12.332 -6.338 1.323 1.00 10.00 O ATOM 892 OE2 GLU A 59 11.042 -8.068 1.904 1.00 10.00 O ATOM 0 H GLU A 59 8.636 -2.931 -0.019 1.00 10.00 H new ATOM 0 HA GLU A 59 8.405 -5.503 -1.101 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.360 -4.385 0.239 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.541 -5.014 1.654 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.399 -7.271 0.285 1.00 10.00 H new ATOM 0 HG3 GLU A 59 10.640 -6.561 -0.728 1.00 10.00 H new ATOM 899 N ALA A 60 6.582 -4.940 1.586 1.00 10.00 N ATOM 900 CA ALA A 60 5.495 -5.444 2.414 1.00 10.00 C ATOM 901 C ALA A 60 4.310 -5.866 1.542 1.00 10.00 C ATOM 902 O ALA A 60 3.693 -6.900 1.795 1.00 10.00 O ATOM 903 CB ALA A 60 5.077 -4.404 3.459 1.00 10.00 C ATOM 0 H ALA A 60 6.823 -3.967 1.775 1.00 10.00 H new ATOM 0 HA ALA A 60 5.848 -6.325 2.950 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.264 -4.804 4.065 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.927 -4.171 4.100 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.742 -3.497 2.956 1.00 10.00 H new ATOM 909 N VAL A 61 4.000 -5.066 0.518 1.00 10.00 N ATOM 910 CA VAL A 61 2.961 -5.377 -0.455 1.00 10.00 C ATOM 911 C VAL A 61 3.414 -6.553 -1.321 1.00 10.00 C ATOM 912 O VAL A 61 2.701 -7.543 -1.436 1.00 10.00 O ATOM 913 CB VAL A 61 2.644 -4.129 -1.297 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.544 -4.444 -2.320 1.00 10.00 C ATOM 915 CG2 VAL A 61 2.225 -2.934 -0.424 1.00 10.00 C ATOM 0 H VAL A 61 4.470 -4.178 0.344 1.00 10.00 H new ATOM 0 HA VAL A 61 2.043 -5.669 0.055 1.00 10.00 H new ATOM 0 HB VAL A 61 3.558 -3.849 -1.820 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.329 -3.553 -2.909 1.00 10.00 H new ATOM 0 HG12 VAL A 61 1.880 -5.243 -2.981 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.641 -4.760 -1.798 1.00 10.00 H new ATOM 0 HG21 VAL A 61 2.011 -2.076 -1.061 1.00 10.00 H new ATOM 0 HG22 VAL A 61 1.333 -3.195 0.146 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.034 -2.684 0.263 1.00 10.00 H new ATOM 925 N ASP A 62 4.616 -6.457 -1.893 1.00 10.00 N ATOM 926 CA ASP A 62 5.238 -7.489 -2.716 1.00 10.00 C ATOM 927 C ASP A 62 5.140 -8.843 -2.002 1.00 10.00 C ATOM 928 O ASP A 62 4.741 -9.843 -2.594 1.00 10.00 O ATOM 929 CB ASP A 62 6.694 -7.084 -3.018 1.00 10.00 C ATOM 930 CG ASP A 62 7.158 -7.508 -4.405 1.00 10.00 C ATOM 931 OD1 ASP A 62 7.287 -8.727 -4.632 1.00 10.00 O ATOM 932 OD2 ASP A 62 7.414 -6.584 -5.216 1.00 10.00 O ATOM 0 H ASP A 62 5.201 -5.628 -1.790 1.00 10.00 H new ATOM 0 HA ASP A 62 4.718 -7.589 -3.669 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.791 -6.002 -2.924 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.351 -7.529 -2.270 1.00 10.00 H new ATOM 937 N LYS A 63 5.407 -8.844 -0.689 1.00 10.00 N ATOM 938 CA LYS A 63 5.315 -10.016 0.178 1.00 10.00 C ATOM 939 C LYS A 63 3.989 -10.772 0.027 1.00 10.00 C ATOM 940 O LYS A 63 3.958 -11.991 0.186 1.00 10.00 O ATOM 941 CB LYS A 63 5.513 -9.620 1.657 1.00 10.00 C ATOM 942 CG LYS A 63 6.233 -10.731 2.430 1.00 10.00 C ATOM 943 CD LYS A 63 7.746 -10.630 2.179 1.00 10.00 C ATOM 944 CE LYS A 63 8.419 -12.006 2.238 1.00 10.00 C ATOM 945 NZ LYS A 63 9.877 -11.899 2.011 1.00 10.00 N ATOM 0 H LYS A 63 5.701 -8.004 -0.191 1.00 10.00 H new ATOM 0 HA LYS A 63 6.114 -10.687 -0.138 1.00 10.00 H new ATOM 0 HB2 LYS A 63 6.090 -8.697 1.716 1.00 10.00 H new ATOM 0 HB3 LYS A 63 4.545 -9.420 2.117 1.00 10.00 H new ATOM 0 HG2 LYS A 63 6.023 -10.642 3.496 1.00 10.00 H new ATOM 0 HG3 LYS A 63 5.865 -11.707 2.113 1.00 10.00 H new ATOM 0 HD2 LYS A 63 7.925 -10.178 1.203 1.00 10.00 H new ATOM 0 HD3 LYS A 63 8.196 -9.972 2.922 1.00 10.00 H new ATOM 0 HE2 LYS A 63 8.232 -12.464 3.209 1.00 10.00 H new ATOM 0 HE3 LYS A 63 7.979 -12.662 1.487 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 10.306 -12.845 2.057 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 10.053 -11.484 1.074 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 10.299 -11.292 2.743 1.00 10.00 H new ATOM 959 N LEU A 64 2.890 -10.054 -0.216 1.00 10.00 N ATOM 960 CA LEU A 64 1.561 -10.631 -0.357 1.00 10.00 C ATOM 961 C LEU A 64 1.394 -11.336 -1.707 1.00 10.00 C ATOM 962 O LEU A 64 0.564 -12.235 -1.813 1.00 10.00 O ATOM 963 CB LEU A 64 0.508 -9.533 -0.182 1.00 10.00 C ATOM 964 CG LEU A 64 0.450 -8.991 1.255 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.120 -7.571 1.251 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.423 -9.907 2.126 1.00 10.00 C ATOM 0 H LEU A 64 2.904 -9.040 -0.321 1.00 10.00 H new ATOM 0 HA LEU A 64 1.427 -11.386 0.417 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.726 -8.713 -0.867 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.471 -9.926 -0.457 1.00 10.00 H new ATOM 0 HG LEU A 64 1.458 -8.968 1.669 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.159 -7.192 2.272 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.518 -6.925 0.648 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.125 -7.584 0.830 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.459 -9.516 3.143 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.432 -9.945 1.716 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.002 -10.911 2.138 1.00 10.00 H new ATOM 978 N GLY A 65 2.158 -10.940 -2.733 1.00 10.00 N ATOM 979 CA GLY A 65 2.179 -11.599 -4.033 1.00 10.00 C ATOM 980 C GLY A 65 1.935 -10.598 -5.158 1.00 10.00 C ATOM 981 O GLY A 65 2.711 -10.523 -6.109 1.00 10.00 O ATOM 0 H GLY A 65 2.787 -10.139 -2.676 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.141 -12.090 -4.180 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.417 -12.377 -4.062 1.00 10.00 H new ATOM 985 N TYR A 66 0.841 -9.838 -5.062 1.00 10.00 N ATOM 986 CA TYR A 66 0.563 -8.757 -6.004 1.00 10.00 C ATOM 987 C TYR A 66 1.617 -7.658 -5.870 1.00 10.00 C ATOM 988 O TYR A 66 2.288 -7.554 -4.843 1.00 10.00 O ATOM 989 CB TYR A 66 -0.861 -8.212 -5.830 1.00 10.00 C ATOM 990 CG TYR A 66 -1.398 -8.228 -4.417 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.868 -7.349 -3.458 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.360 -9.183 -4.041 1.00 10.00 C ATOM 993 CE1 TYR A 66 -1.331 -7.401 -2.135 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.806 -9.242 -2.712 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.337 -8.315 -1.774 1.00 10.00 C ATOM 996 OH TYR A 66 -2.823 -8.347 -0.504 1.00 10.00 O ATOM 0 H TYR A 66 0.132 -9.954 -4.338 1.00 10.00 H new ATOM 0 HA TYR A 66 0.621 -9.157 -7.016 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.886 -7.186 -6.197 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.533 -8.793 -6.462 1.00 10.00 H new ATOM 0 HD1 TYR A 66 -0.107 -6.636 -3.738 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.755 -9.870 -4.775 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.914 -6.738 -1.392 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.511 -10.003 -2.413 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.673 -7.860 -0.467 1.00 10.00 H new ATOM 1006 N LYS A 67 1.765 -6.850 -6.921 1.00 10.00 N ATOM 1007 CA LYS A 67 2.812 -5.837 -7.002 1.00 10.00 C ATOM 1008 C LYS A 67 2.232 -4.440 -6.793 1.00 10.00 C ATOM 1009 O LYS A 67 1.016 -4.274 -6.694 1.00 10.00 O ATOM 1010 CB LYS A 67 3.585 -5.970 -8.324 1.00 10.00 C ATOM 1011 CG LYS A 67 4.970 -6.566 -8.089 1.00 10.00 C ATOM 1012 CD LYS A 67 5.751 -6.624 -9.406 1.00 10.00 C ATOM 1013 CE LYS A 67 7.233 -6.889 -9.107 1.00 10.00 C ATOM 1014 NZ LYS A 67 8.008 -7.156 -10.335 1.00 10.00 N ATOM 0 H LYS A 67 1.159 -6.882 -7.741 1.00 10.00 H new ATOM 0 HA LYS A 67 3.529 -5.999 -6.197 1.00 10.00 H new ATOM 0 HB2 LYS A 67 3.026 -6.601 -9.015 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.681 -4.991 -8.793 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.514 -5.964 -7.361 1.00 10.00 H new ATOM 0 HG3 LYS A 67 4.877 -7.567 -7.669 1.00 10.00 H new ATOM 0 HD2 LYS A 67 5.351 -7.411 -10.045 1.00 10.00 H new ATOM 0 HD3 LYS A 67 5.640 -5.686 -9.949 1.00 10.00 H new ATOM 0 HE2 LYS A 67 7.658 -6.028 -8.591 1.00 10.00 H new ATOM 0 HE3 LYS A 67 7.320 -7.740 -8.432 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 9.003 -7.329 -10.087 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 7.620 -7.993 -10.815 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 7.948 -6.334 -10.969 1.00 10.00 H new ATOM 1028 N LEU A 68 3.121 -3.451 -6.672 1.00 10.00 N ATOM 1029 CA LEU A 68 2.781 -2.064 -6.446 1.00 10.00 C ATOM 1030 C LEU A 68 3.886 -1.205 -7.050 1.00 10.00 C ATOM 1031 O LEU A 68 5.027 -1.664 -7.182 1.00 10.00 O ATOM 1032 CB LEU A 68 2.617 -1.838 -4.939 1.00 10.00 C ATOM 1033 CG LEU A 68 2.269 -0.414 -4.476 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.242 -0.475 -3.344 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.524 0.319 -3.978 1.00 10.00 C ATOM 0 H LEU A 68 4.127 -3.610 -6.732 1.00 10.00 H new ATOM 0 HA LEU A 68 1.839 -1.790 -6.922 1.00 10.00 H new ATOM 0 HB2 LEU A 68 1.838 -2.510 -4.579 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.545 -2.135 -4.450 1.00 10.00 H new ATOM 0 HG LEU A 68 1.855 0.130 -5.325 1.00 10.00 H new ATOM 0 HD11 LEU A 68 0.998 0.536 -3.019 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.338 -0.970 -3.699 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.657 -1.035 -2.506 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.254 1.325 -3.655 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.956 -0.227 -3.139 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.254 0.381 -4.785 1.00 10.00 H new ATOM 1047 N LYS A 69 3.550 0.036 -7.395 1.00 10.00 N ATOM 1048 CA LYS A 69 4.428 1.035 -7.983 1.00 10.00 C ATOM 1049 C LYS A 69 3.921 2.414 -7.586 1.00 10.00 C ATOM 1050 O LYS A 69 2.797 2.545 -7.118 1.00 10.00 O ATOM 1051 CB LYS A 69 4.416 0.939 -9.512 1.00 10.00 C ATOM 1052 CG LYS A 69 4.984 -0.374 -10.044 1.00 10.00 C ATOM 1053 CD LYS A 69 5.083 -0.272 -11.572 1.00 10.00 C ATOM 1054 CE LYS A 69 5.642 -1.548 -12.207 1.00 10.00 C ATOM 1055 NZ LYS A 69 7.038 -1.796 -11.804 1.00 10.00 N ATOM 0 H LYS A 69 2.602 0.388 -7.262 1.00 10.00 H new ATOM 0 HA LYS A 69 5.444 0.867 -7.625 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.392 1.053 -9.867 1.00 10.00 H new ATOM 0 HB3 LYS A 69 4.991 1.768 -9.925 1.00 10.00 H new ATOM 0 HG2 LYS A 69 5.966 -0.566 -9.612 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.342 -1.208 -9.760 1.00 10.00 H new ATOM 0 HD2 LYS A 69 4.095 -0.067 -11.984 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.720 0.572 -11.837 1.00 10.00 H new ATOM 0 HE2 LYS A 69 5.024 -2.398 -11.918 1.00 10.00 H new ATOM 0 HE3 LYS A 69 5.586 -1.468 -13.293 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 7.418 -2.599 -12.345 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.610 -0.949 -11.995 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.072 -2.015 -10.788 1.00 10.00 H new ATOM 1069 N LEU A 70 4.732 3.448 -7.798 1.00 10.00 N ATOM 1070 CA LEU A 70 4.353 4.825 -7.506 1.00 10.00 C ATOM 1071 C LEU A 70 3.295 5.335 -8.487 1.00 10.00 C ATOM 1072 O LEU A 70 3.269 4.930 -9.649 1.00 10.00 O ATOM 1073 CB LEU A 70 5.614 5.696 -7.402 1.00 10.00 C ATOM 1074 CG LEU A 70 5.440 7.221 -7.515 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.580 7.923 -6.766 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.481 7.692 -8.977 1.00 10.00 C ATOM 0 H LEU A 70 5.673 3.352 -8.179 1.00 10.00 H new ATOM 0 HA LEU A 70 3.863 4.881 -6.534 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.091 5.483 -6.446 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.306 5.379 -8.182 1.00 10.00 H new ATOM 0 HG LEU A 70 4.469 7.470 -7.086 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.457 9.003 -6.846 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.559 7.632 -5.716 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.535 7.633 -7.203 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.355 8.774 -9.014 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.440 7.423 -9.419 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.677 7.213 -9.536 1.00 10.00 H new ATOM 1088 N LYS A 71 2.427 6.223 -7.994 1.00 10.00 N ATOM 1089 CA LYS A 71 1.452 6.977 -8.766 1.00 10.00 C ATOM 1090 C LYS A 71 1.637 8.474 -8.489 1.00 10.00 C ATOM 1091 O LYS A 71 2.766 8.909 -8.302 1.00 10.00 O ATOM 1092 CB LYS A 71 0.030 6.443 -8.507 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.848 6.533 -9.762 1.00 10.00 C ATOM 1094 CD LYS A 71 -0.593 5.306 -10.650 1.00 10.00 C ATOM 1095 CE LYS A 71 -1.135 5.487 -12.072 1.00 10.00 C ATOM 1096 NZ LYS A 71 -0.930 4.264 -12.875 1.00 10.00 N ATOM 0 H LYS A 71 2.388 6.441 -6.998 1.00 10.00 H new ATOM 0 HA LYS A 71 1.612 6.842 -9.836 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.086 5.406 -8.176 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.431 7.012 -7.699 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -1.900 6.580 -9.481 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.624 7.447 -10.312 1.00 10.00 H new ATOM 0 HD2 LYS A 71 0.478 5.111 -10.695 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.058 4.431 -10.196 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.198 5.727 -12.032 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -0.636 6.329 -12.551 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -1.753 4.112 -13.492 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -0.075 4.371 -13.458 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -0.817 3.447 -12.241 1.00 10.00 H new