USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 77 CECE :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 77 CECE :(metal ligand) USER MOD Set 1.1: A 28 THR OG1 : rot -137:sc= -0.0176! USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0.0928 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -170:sc= 0 (180deg=-0.127) USER MOD Single : A 3 GLN :FLIP amide:sc= 0.464 F(o=-0.84,f=0.46) USER MOD Single : A 5 THR OG1 : rot -75:sc= 0.311 USER MOD Single : A 8 GLN : amide:sc= -2.34! X(o=-2.3!,f=-1.9) USER MOD Single : A 13 LYS NZ :NH3+ -167:sc=-0.00558 (180deg=-0.155) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -33:sc= 0.202 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 89:sc= 0.175 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -5.77! C(o=-5.8!,f=-10!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 49 GLN : amide:sc= -0.0677 K(o=-0.068,f=-1) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.215 K(o=-0.22,f=-2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 177:sc= 0 (180deg=-0.0116) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -24.893 -23.711 -1.629 1.00 0.00 N ATOM 2 CA MET A 0 -24.662 -25.139 -1.493 1.00 0.00 C ATOM 3 C MET A 0 -23.173 -25.438 -1.306 1.00 0.00 C ATOM 4 O MET A 0 -22.801 -26.267 -0.477 1.00 0.00 O ATOM 5 CB MET A 0 -25.175 -25.862 -2.740 1.00 0.00 C ATOM 6 CG MET A 0 -26.217 -26.920 -2.370 1.00 0.00 C ATOM 7 SD MET A 0 -26.045 -28.343 -3.434 1.00 0.00 S ATOM 8 CE MET A 0 -26.136 -29.649 -2.221 1.00 0.00 C ATOM 0 H1 MET A 0 -25.914 -23.519 -1.584 1.00 0.00 H new ATOM 0 H2 MET A 0 -24.412 -23.206 -0.857 1.00 0.00 H new ATOM 0 H3 MET A 0 -24.519 -23.384 -2.543 1.00 0.00 H new ATOM 0 HA MET A 0 -25.198 -25.492 -0.612 1.00 0.00 H new ATOM 0 HB2 MET A 0 -25.613 -25.140 -3.429 1.00 0.00 H new ATOM 0 HB3 MET A 0 -24.341 -26.334 -3.260 1.00 0.00 H new ATOM 0 HG2 MET A 0 -26.092 -27.217 -1.329 1.00 0.00 H new ATOM 0 HG3 MET A 0 -27.220 -26.504 -2.465 1.00 0.00 H new ATOM 0 HE1 MET A 0 -26.045 -30.615 -2.718 1.00 0.00 H new ATOM 0 HE2 MET A 0 -25.326 -29.534 -1.501 1.00 0.00 H new ATOM 0 HE3 MET A 0 -27.093 -29.597 -1.702 1.00 0.00 H new ATOM 18 N ALA A 1 -22.360 -24.745 -2.091 1.00 0.00 N ATOM 19 CA ALA A 1 -20.920 -24.925 -2.023 1.00 0.00 C ATOM 20 C ALA A 1 -20.227 -23.659 -2.531 1.00 0.00 C ATOM 21 O ALA A 1 -19.976 -23.522 -3.727 1.00 0.00 O ATOM 22 CB ALA A 1 -20.523 -26.168 -2.822 1.00 0.00 C ATOM 0 H ALA A 1 -22.672 -24.058 -2.777 1.00 0.00 H new ATOM 0 HA ALA A 1 -20.601 -25.084 -0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.443 -26.303 -2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -21.019 -27.044 -2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -20.825 -26.044 -3.862 1.00 0.00 H new ATOM 28 N ASP A 2 -19.938 -22.766 -1.596 1.00 0.00 N ATOM 29 CA ASP A 2 -19.279 -21.516 -1.934 1.00 0.00 C ATOM 30 C ASP A 2 -19.375 -20.556 -0.746 1.00 0.00 C ATOM 31 O ASP A 2 -20.392 -20.519 -0.055 1.00 0.00 O ATOM 32 CB ASP A 2 -19.948 -20.848 -3.137 1.00 0.00 C ATOM 33 CG ASP A 2 -19.016 -20.554 -4.314 1.00 0.00 C ATOM 34 OD1 ASP A 2 -17.800 -20.426 -4.057 1.00 0.00 O ATOM 35 OD2 ASP A 2 -19.542 -20.463 -5.445 1.00 0.00 O ATOM 0 H ASP A 2 -20.148 -22.883 -0.605 1.00 0.00 H new ATOM 0 HA ASP A 2 -18.240 -21.738 -2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -20.758 -21.489 -3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -20.401 -19.912 -2.809 1.00 0.00 H new ATOM 40 N GLN A 3 -18.303 -19.804 -0.546 1.00 0.00 N ATOM 41 CA GLN A 3 -18.254 -18.846 0.546 1.00 0.00 C ATOM 42 C GLN A 3 -17.533 -17.572 0.103 1.00 0.00 C ATOM 43 O GLN A 3 -16.308 -17.490 0.179 1.00 0.00 O ATOM 44 CB GLN A 3 -17.584 -19.455 1.779 1.00 0.00 C ATOM 45 CG GLN A 3 -18.282 -20.751 2.198 1.00 0.00 C ATOM 46 CD GLN A 3 -19.596 -20.457 2.924 1.00 0.00 C ATOM 47 OE1 GLN A 3 -19.439 -19.898 4.121 1.00 0.00 O flip ATOM 48 NE2 GLN A 3 -20.680 -20.719 2.431 1.00 0.00 N flip ATOM 0 H GLN A 3 -17.461 -19.838 -1.121 1.00 0.00 H new ATOM 0 HA GLN A 3 -19.276 -18.584 0.820 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -16.534 -19.656 1.565 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -17.611 -18.741 2.602 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -18.478 -21.363 1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -17.625 -21.328 2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -20.730 -21.148 1.507 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -21.537 -20.509 2.943 1.00 0.00 H new ATOM 57 N LEU A 4 -18.323 -16.610 -0.351 1.00 0.00 N ATOM 58 CA LEU A 4 -17.774 -15.344 -0.806 1.00 0.00 C ATOM 59 C LEU A 4 -17.849 -14.322 0.330 1.00 0.00 C ATOM 60 O LEU A 4 -17.896 -14.694 1.502 1.00 0.00 O ATOM 61 CB LEU A 4 -18.472 -14.888 -2.089 1.00 0.00 C ATOM 62 CG LEU A 4 -19.989 -14.711 -2.002 1.00 0.00 C ATOM 63 CD1 LEU A 4 -20.395 -13.276 -2.344 1.00 0.00 C ATOM 64 CD2 LEU A 4 -20.712 -15.736 -2.878 1.00 0.00 C ATOM 0 H LEU A 4 -19.339 -16.682 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 4 -16.721 -15.457 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -18.033 -13.940 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -18.255 -15.613 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 4 -20.295 -14.895 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -21.478 -13.178 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -19.923 -12.587 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -20.074 -13.039 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -21.789 -15.588 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -20.405 -15.609 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -20.458 -16.742 -2.545 1.00 0.00 H new ATOM 76 N THR A 5 -17.858 -13.055 -0.056 1.00 0.00 N ATOM 77 CA THR A 5 -17.927 -11.977 0.916 1.00 0.00 C ATOM 78 C THR A 5 -16.642 -11.923 1.745 1.00 0.00 C ATOM 79 O THR A 5 -15.568 -12.271 1.255 1.00 0.00 O ATOM 80 CB THR A 5 -19.186 -12.182 1.761 1.00 0.00 C ATOM 81 OG1 THR A 5 -18.742 -12.974 2.859 1.00 0.00 O ATOM 82 CG2 THR A 5 -20.224 -13.061 1.062 1.00 0.00 C ATOM 0 H THR A 5 -17.819 -12.750 -1.029 1.00 0.00 H new ATOM 0 HA THR A 5 -18.001 -11.007 0.425 1.00 0.00 H new ATOM 0 HB THR A 5 -19.629 -11.213 1.993 1.00 0.00 H new ATOM 0 HG1 THR A 5 -18.613 -13.899 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 5 -21.097 -13.174 1.705 1.00 0.00 H new ATOM 0 HG22 THR A 5 -20.523 -12.595 0.123 1.00 0.00 H new ATOM 0 HG23 THR A 5 -19.793 -14.041 0.859 1.00 0.00 H new ATOM 90 N GLU A 6 -16.793 -11.485 2.986 1.00 0.00 N ATOM 91 CA GLU A 6 -15.658 -11.381 3.887 1.00 0.00 C ATOM 92 C GLU A 6 -14.648 -12.494 3.598 1.00 0.00 C ATOM 93 O GLU A 6 -13.466 -12.225 3.388 1.00 0.00 O ATOM 94 CB GLU A 6 -16.112 -11.418 5.347 1.00 0.00 C ATOM 95 CG GLU A 6 -16.725 -10.080 5.765 1.00 0.00 C ATOM 96 CD GLU A 6 -16.712 -9.922 7.286 1.00 0.00 C ATOM 97 OE1 GLU A 6 -16.987 -10.935 7.965 1.00 0.00 O ATOM 98 OE2 GLU A 6 -16.429 -8.791 7.737 1.00 0.00 O ATOM 0 H GLU A 6 -17.685 -11.198 3.389 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.170 -10.421 3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.842 -12.215 5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.263 -11.650 5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.169 -9.262 5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.749 -10.015 5.398 1.00 0.00 H new ATOM 105 N GLU A 7 -15.150 -13.720 3.597 1.00 0.00 N ATOM 106 CA GLU A 7 -14.307 -14.874 3.338 1.00 0.00 C ATOM 107 C GLU A 7 -13.261 -14.539 2.272 1.00 0.00 C ATOM 108 O GLU A 7 -12.093 -14.899 2.409 1.00 0.00 O ATOM 109 CB GLU A 7 -15.146 -16.083 2.921 1.00 0.00 C ATOM 110 CG GLU A 7 -15.997 -16.589 4.088 1.00 0.00 C ATOM 111 CD GLU A 7 -15.580 -18.002 4.498 1.00 0.00 C ATOM 112 OE1 GLU A 7 -15.119 -18.741 3.602 1.00 0.00 O ATOM 113 OE2 GLU A 7 -15.732 -18.312 5.700 1.00 0.00 O ATOM 0 H GLU A 7 -16.131 -13.939 3.772 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.787 -15.134 4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.792 -15.811 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.491 -16.881 2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.893 -15.914 4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.049 -16.584 3.804 1.00 0.00 H new ATOM 120 N GLN A 8 -13.719 -13.853 1.235 1.00 0.00 N ATOM 121 CA GLN A 8 -12.837 -13.465 0.147 1.00 0.00 C ATOM 122 C GLN A 8 -11.787 -12.470 0.644 1.00 0.00 C ATOM 123 O GLN A 8 -10.589 -12.680 0.454 1.00 0.00 O ATOM 124 CB GLN A 8 -13.634 -12.883 -1.023 1.00 0.00 C ATOM 125 CG GLN A 8 -13.173 -13.484 -2.352 1.00 0.00 C ATOM 126 CD GLN A 8 -13.459 -14.986 -2.403 1.00 0.00 C ATOM 127 OE1 GLN A 8 -12.573 -15.807 -2.572 1.00 0.00 O ATOM 128 NE2 GLN A 8 -14.743 -15.298 -2.248 1.00 0.00 N ATOM 0 H GLN A 8 -14.689 -13.556 1.125 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.323 -14.356 -0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.696 -13.081 -0.879 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.513 -11.800 -1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.682 -12.985 -3.177 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.105 -13.309 -2.484 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.434 -14.560 -2.110 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.036 -16.275 -2.267 1.00 0.00 H new ATOM 137 N ILE A 9 -12.273 -11.408 1.270 1.00 0.00 N ATOM 138 CA ILE A 9 -11.390 -10.380 1.795 1.00 0.00 C ATOM 139 C ILE A 9 -10.280 -11.039 2.616 1.00 0.00 C ATOM 140 O ILE A 9 -9.103 -10.730 2.435 1.00 0.00 O ATOM 141 CB ILE A 9 -12.191 -9.333 2.572 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.747 -7.917 2.200 1.00 0.00 C ATOM 143 CG2 ILE A 9 -12.104 -9.583 4.079 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.533 -7.395 0.995 1.00 0.00 C ATOM 0 H ILE A 9 -13.267 -11.237 1.425 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.907 -9.839 0.981 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.240 -9.427 2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.893 -7.251 3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.681 -7.914 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.682 -8.825 4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.505 -10.570 4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.063 -9.532 4.397 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.198 -6.387 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.365 -8.050 0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.596 -7.376 1.235 1.00 0.00 H new ATOM 156 N ALA A 10 -10.693 -11.933 3.502 1.00 0.00 N ATOM 157 CA ALA A 10 -9.747 -12.638 4.351 1.00 0.00 C ATOM 158 C ALA A 10 -8.476 -12.936 3.554 1.00 0.00 C ATOM 159 O ALA A 10 -7.370 -12.830 4.080 1.00 0.00 O ATOM 160 CB ALA A 10 -10.402 -13.906 4.901 1.00 0.00 C ATOM 0 H ALA A 10 -11.670 -12.186 3.651 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.463 -12.022 5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.693 -14.435 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.283 -13.637 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.698 -14.551 4.074 1.00 0.00 H new ATOM 166 N GLU A 11 -8.677 -13.303 2.296 1.00 0.00 N ATOM 167 CA GLU A 11 -7.561 -13.618 1.421 1.00 0.00 C ATOM 168 C GLU A 11 -6.752 -12.355 1.118 1.00 0.00 C ATOM 169 O GLU A 11 -5.536 -12.333 1.301 1.00 0.00 O ATOM 170 CB GLU A 11 -8.046 -14.281 0.131 1.00 0.00 C ATOM 171 CG GLU A 11 -8.797 -15.580 0.431 1.00 0.00 C ATOM 172 CD GLU A 11 -9.352 -16.202 -0.852 1.00 0.00 C ATOM 173 OE1 GLU A 11 -8.521 -16.550 -1.719 1.00 0.00 O ATOM 174 OE2 GLU A 11 -10.593 -16.315 -0.938 1.00 0.00 O ATOM 0 H GLU A 11 -9.596 -13.389 1.863 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.912 -14.328 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.698 -13.596 -0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.195 -14.490 -0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.127 -16.286 0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.613 -15.380 1.125 1.00 0.00 H new ATOM 181 N PHE A 12 -7.460 -11.333 0.658 1.00 0.00 N ATOM 182 CA PHE A 12 -6.823 -10.070 0.328 1.00 0.00 C ATOM 183 C PHE A 12 -5.850 -9.642 1.428 1.00 0.00 C ATOM 184 O PHE A 12 -4.892 -8.916 1.166 1.00 0.00 O ATOM 185 CB PHE A 12 -7.935 -9.025 0.213 1.00 0.00 C ATOM 186 CG PHE A 12 -8.673 -9.047 -1.128 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.649 -9.967 -1.352 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.352 -8.146 -2.095 1.00 0.00 C ATOM 189 CE1 PHE A 12 -10.334 -9.987 -2.595 1.00 0.00 C ATOM 190 CE2 PHE A 12 -9.037 -8.166 -3.339 1.00 0.00 C ATOM 191 CZ PHE A 12 -10.013 -9.086 -3.563 1.00 0.00 C ATOM 0 H PHE A 12 -8.468 -11.355 0.506 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.259 -10.169 -0.600 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.655 -9.186 1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.506 -8.034 0.364 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.903 -10.683 -0.584 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.577 -7.416 -1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.110 -10.717 -2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.783 -7.451 -4.107 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.533 -9.102 -4.509 1.00 0.00 H new ATOM 201 N LYS A 13 -6.129 -10.111 2.635 1.00 0.00 N ATOM 202 CA LYS A 13 -5.289 -9.786 3.776 1.00 0.00 C ATOM 203 C LYS A 13 -3.819 -9.862 3.361 1.00 0.00 C ATOM 204 O LYS A 13 -3.090 -8.876 3.458 1.00 0.00 O ATOM 205 CB LYS A 13 -5.638 -10.678 4.969 1.00 0.00 C ATOM 206 CG LYS A 13 -7.035 -10.356 5.504 1.00 0.00 C ATOM 207 CD LYS A 13 -7.217 -10.896 6.924 1.00 0.00 C ATOM 208 CE LYS A 13 -8.655 -10.697 7.407 1.00 0.00 C ATOM 209 NZ LYS A 13 -9.221 -11.977 7.890 1.00 0.00 N ATOM 0 H LYS A 13 -6.924 -10.713 2.848 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.474 -8.764 4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.591 -11.725 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.901 -10.539 5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.190 -9.277 5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.789 -10.790 4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.965 -11.956 6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.529 -10.389 7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.677 -9.958 8.208 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.267 -10.305 6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.250 -11.880 8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.020 -12.728 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.792 -12.223 8.805 1.00 0.00 H new ATOM 223 N GLU A 14 -3.426 -11.043 2.906 1.00 0.00 N ATOM 224 CA GLU A 14 -2.056 -11.261 2.475 1.00 0.00 C ATOM 225 C GLU A 14 -1.638 -10.186 1.471 1.00 0.00 C ATOM 226 O GLU A 14 -0.541 -9.636 1.565 1.00 0.00 O ATOM 227 CB GLU A 14 -1.884 -12.661 1.883 1.00 0.00 C ATOM 228 CG GLU A 14 -2.215 -13.739 2.917 1.00 0.00 C ATOM 229 CD GLU A 14 -1.423 -15.020 2.647 1.00 0.00 C ATOM 230 OE1 GLU A 14 -0.178 -14.917 2.592 1.00 0.00 O ATOM 231 OE2 GLU A 14 -2.080 -16.073 2.503 1.00 0.00 O ATOM 0 H GLU A 14 -4.033 -11.859 2.827 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.406 -11.188 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.532 -12.774 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.859 -12.789 1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.987 -13.371 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.283 -13.956 2.893 1.00 0.00 H new ATOM 238 N ALA A 15 -2.534 -9.917 0.532 1.00 0.00 N ATOM 239 CA ALA A 15 -2.271 -8.917 -0.489 1.00 0.00 C ATOM 240 C ALA A 15 -1.729 -7.649 0.174 1.00 0.00 C ATOM 241 O ALA A 15 -0.650 -7.174 -0.177 1.00 0.00 O ATOM 242 CB ALA A 15 -3.549 -8.657 -1.289 1.00 0.00 C ATOM 0 H ALA A 15 -3.443 -10.374 0.457 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.515 -9.272 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.352 -7.907 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.876 -9.582 -1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.330 -8.296 -0.620 1.00 0.00 H new ATOM 248 N PHE A 16 -2.503 -7.136 1.119 1.00 0.00 N ATOM 249 CA PHE A 16 -2.114 -5.932 1.833 1.00 0.00 C ATOM 250 C PHE A 16 -0.719 -6.083 2.443 1.00 0.00 C ATOM 251 O PHE A 16 0.036 -5.114 2.522 1.00 0.00 O ATOM 252 CB PHE A 16 -3.131 -5.731 2.959 1.00 0.00 C ATOM 253 CG PHE A 16 -2.936 -4.436 3.750 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.106 -3.234 3.138 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.593 -4.487 5.065 1.00 0.00 C ATOM 256 CE1 PHE A 16 -2.926 -2.031 3.872 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.412 -3.285 5.799 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.582 -2.083 5.187 1.00 0.00 C ATOM 0 H PHE A 16 -3.398 -7.532 1.407 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.092 -5.084 1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.135 -5.737 2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.070 -6.576 3.645 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.378 -3.194 2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.458 -5.442 5.551 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.062 -1.076 3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.139 -3.326 6.843 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.444 -1.169 5.745 1.00 0.00 H new ATOM 268 N SER A 17 -0.419 -7.304 2.858 1.00 0.00 N ATOM 269 CA SER A 17 0.873 -7.594 3.458 1.00 0.00 C ATOM 270 C SER A 17 1.994 -7.261 2.473 1.00 0.00 C ATOM 271 O SER A 17 2.945 -6.562 2.823 1.00 0.00 O ATOM 272 CB SER A 17 0.963 -9.060 3.889 1.00 0.00 C ATOM 273 OG SER A 17 1.713 -9.218 5.090 1.00 0.00 O ATOM 0 H SER A 17 -1.048 -8.104 2.791 1.00 0.00 H new ATOM 0 HA SER A 17 0.984 -6.974 4.348 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.041 -9.458 4.034 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.425 -9.644 3.093 1.00 0.00 H new ATOM 0 HG SER A 17 1.746 -10.167 5.333 1.00 0.00 H new ATOM 279 N LEU A 18 1.847 -7.775 1.261 1.00 0.00 N ATOM 280 CA LEU A 18 2.836 -7.540 0.223 1.00 0.00 C ATOM 281 C LEU A 18 3.375 -6.114 0.351 1.00 0.00 C ATOM 282 O LEU A 18 4.585 -5.908 0.428 1.00 0.00 O ATOM 283 CB LEU A 18 2.251 -7.856 -1.155 1.00 0.00 C ATOM 284 CG LEU A 18 2.869 -9.047 -1.889 1.00 0.00 C ATOM 285 CD1 LEU A 18 1.985 -10.289 -1.762 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.162 -8.700 -3.350 1.00 0.00 C ATOM 0 H LEU A 18 1.057 -8.354 0.974 1.00 0.00 H new ATOM 0 HA LEU A 18 3.685 -8.213 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.183 -8.040 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.357 -6.972 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 18 3.823 -9.281 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.448 -11.121 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.871 -10.549 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.005 -10.084 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.601 -9.564 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.234 -8.424 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.860 -7.864 -3.392 1.00 0.00 H new ATOM 298 N PHE A 19 2.449 -5.166 0.369 1.00 0.00 N ATOM 299 CA PHE A 19 2.816 -3.765 0.486 1.00 0.00 C ATOM 300 C PHE A 19 3.237 -3.426 1.918 1.00 0.00 C ATOM 301 O PHE A 19 4.238 -2.743 2.129 1.00 0.00 O ATOM 302 CB PHE A 19 1.575 -2.946 0.125 1.00 0.00 C ATOM 303 CG PHE A 19 1.241 -2.949 -1.368 1.00 0.00 C ATOM 304 CD1 PHE A 19 1.815 -2.035 -2.196 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.370 -3.866 -1.868 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.504 -2.038 -3.581 1.00 0.00 C ATOM 307 CE2 PHE A 19 0.059 -3.869 -3.254 1.00 0.00 C ATOM 308 CZ PHE A 19 0.633 -2.955 -4.081 1.00 0.00 C ATOM 0 H PHE A 19 1.446 -5.341 0.305 1.00 0.00 H new ATOM 0 HA PHE A 19 3.656 -3.544 -0.173 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.721 -3.336 0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.724 -1.917 0.452 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.507 -1.307 -1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.085 -4.592 -1.211 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.959 -1.312 -4.238 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.633 -4.597 -3.651 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.397 -2.957 -5.135 1.00 0.00 H new ATOM 318 N ASP A 20 2.451 -3.919 2.864 1.00 0.00 N ATOM 319 CA ASP A 20 2.730 -3.677 4.269 1.00 0.00 C ATOM 320 C ASP A 20 3.775 -4.681 4.758 1.00 0.00 C ATOM 321 O ASP A 20 3.427 -5.749 5.260 1.00 0.00 O ATOM 322 CB ASP A 20 1.470 -3.854 5.119 1.00 0.00 C ATOM 323 CG ASP A 20 1.704 -3.850 6.631 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.808 -3.424 7.033 1.00 0.00 O ATOM 325 OD2 ASP A 20 0.773 -4.274 7.350 1.00 0.00 O ATOM 0 H ASP A 20 1.621 -4.485 2.685 1.00 0.00 H new ATOM 0 HA ASP A 20 3.092 -2.654 4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.769 -3.056 4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.993 -4.794 4.843 1.00 0.00 H new ATOM 330 N LYS A 21 5.034 -4.304 4.593 1.00 0.00 N ATOM 331 CA LYS A 21 6.132 -5.159 5.012 1.00 0.00 C ATOM 332 C LYS A 21 6.073 -5.353 6.528 1.00 0.00 C ATOM 333 O LYS A 21 5.963 -6.480 7.009 1.00 0.00 O ATOM 334 CB LYS A 21 7.467 -4.598 4.515 1.00 0.00 C ATOM 335 CG LYS A 21 8.027 -5.447 3.373 1.00 0.00 C ATOM 336 CD LYS A 21 9.153 -6.358 3.867 1.00 0.00 C ATOM 337 CE LYS A 21 8.997 -7.775 3.311 1.00 0.00 C ATOM 338 NZ LYS A 21 8.704 -8.730 4.403 1.00 0.00 N ATOM 0 H LYS A 21 5.319 -3.418 4.175 1.00 0.00 H new ATOM 0 HA LYS A 21 6.039 -6.147 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.330 -3.571 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.182 -4.570 5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.230 -6.051 2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.401 -4.797 2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.116 -5.949 3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.149 -6.389 4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.193 -7.797 2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.910 -8.072 2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.601 -9.687 4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.484 -8.721 5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.821 -8.454 4.878 1.00 0.00 H new ATOM 352 N ASP A 22 6.147 -4.238 7.239 1.00 0.00 N ATOM 353 CA ASP A 22 6.103 -4.271 8.691 1.00 0.00 C ATOM 354 C ASP A 22 4.913 -5.122 9.141 1.00 0.00 C ATOM 355 O ASP A 22 4.899 -5.632 10.260 1.00 0.00 O ATOM 356 CB ASP A 22 5.925 -2.866 9.269 1.00 0.00 C ATOM 357 CG ASP A 22 6.697 -1.764 8.540 1.00 0.00 C ATOM 358 OD1 ASP A 22 7.708 -2.113 7.892 1.00 0.00 O ATOM 359 OD2 ASP A 22 6.258 -0.599 8.646 1.00 0.00 O ATOM 0 H ASP A 22 6.237 -3.305 6.836 1.00 0.00 H new ATOM 0 HA ASP A 22 7.044 -4.691 9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.864 -2.616 9.255 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.237 -2.877 10.313 1.00 0.00 H new ATOM 364 N GLY A 23 3.944 -5.247 8.246 1.00 0.00 N ATOM 365 CA GLY A 23 2.753 -6.027 8.538 1.00 0.00 C ATOM 366 C GLY A 23 2.052 -5.508 9.795 1.00 0.00 C ATOM 367 O GLY A 23 1.216 -6.200 10.374 1.00 0.00 O ATOM 0 H GLY A 23 3.959 -4.822 7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.068 -5.983 7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.024 -7.074 8.674 1.00 0.00 H new ATOM 371 N ASP A 24 2.419 -4.295 10.181 1.00 0.00 N ATOM 372 CA ASP A 24 1.837 -3.676 11.359 1.00 0.00 C ATOM 373 C ASP A 24 0.326 -3.537 11.162 1.00 0.00 C ATOM 374 O ASP A 24 -0.432 -3.523 12.132 1.00 0.00 O ATOM 375 CB ASP A 24 2.414 -2.278 11.590 1.00 0.00 C ATOM 376 CG ASP A 24 2.499 -1.399 10.341 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.718 -1.670 9.403 1.00 0.00 O ATOM 378 OD2 ASP A 24 3.342 -0.476 10.352 1.00 0.00 O ATOM 0 H ASP A 24 3.113 -3.724 9.698 1.00 0.00 H new ATOM 0 HA ASP A 24 2.065 -4.306 12.218 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.803 -1.768 12.334 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.413 -2.379 12.013 1.00 0.00 H new ATOM 383 N GLY A 25 -0.068 -3.436 9.901 1.00 0.00 N ATOM 384 CA GLY A 25 -1.475 -3.298 9.565 1.00 0.00 C ATOM 385 C GLY A 25 -1.730 -1.999 8.797 1.00 0.00 C ATOM 386 O GLY A 25 -2.879 -1.634 8.553 1.00 0.00 O ATOM 0 H GLY A 25 0.563 -3.447 9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.794 -4.149 8.963 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.073 -3.309 10.476 1.00 0.00 H new ATOM 390 N THR A 26 -0.640 -1.338 8.438 1.00 0.00 N ATOM 391 CA THR A 26 -0.731 -0.088 7.703 1.00 0.00 C ATOM 392 C THR A 26 0.347 -0.026 6.620 1.00 0.00 C ATOM 393 O THR A 26 1.424 -0.599 6.777 1.00 0.00 O ATOM 394 CB THR A 26 -0.647 1.060 8.711 1.00 0.00 C ATOM 395 OG1 THR A 26 0.737 1.127 9.046 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.336 0.728 10.036 1.00 0.00 C ATOM 0 H THR A 26 0.311 -1.644 8.642 1.00 0.00 H new ATOM 0 HA THR A 26 -1.681 -0.008 7.175 1.00 0.00 H new ATOM 0 HB THR A 26 -1.099 1.954 8.281 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.125 0.228 9.015 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.247 1.576 10.715 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.390 0.517 9.855 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.863 -0.146 10.483 1.00 0.00 H new ATOM 404 N ILE A 27 0.021 0.675 5.544 1.00 0.00 N ATOM 405 CA ILE A 27 0.948 0.820 4.435 1.00 0.00 C ATOM 406 C ILE A 27 1.321 2.295 4.275 1.00 0.00 C ATOM 407 O ILE A 27 0.503 3.101 3.834 1.00 0.00 O ATOM 408 CB ILE A 27 0.368 0.192 3.166 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.103 -1.302 3.365 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.271 0.457 1.960 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.596 -1.903 2.144 1.00 0.00 C ATOM 0 H ILE A 27 -0.873 1.149 5.417 1.00 0.00 H new ATOM 0 HA ILE A 27 1.871 0.278 4.639 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.592 0.665 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.045 -1.822 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.514 -1.451 4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.835 -0.000 1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.366 1.532 1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.257 0.029 2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.772 -2.965 2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.549 -1.398 1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.034 -1.775 1.264 1.00 0.00 H new ATOM 423 N THR A 28 2.555 2.604 4.643 1.00 0.00 N ATOM 424 CA THR A 28 3.046 3.968 4.547 1.00 0.00 C ATOM 425 C THR A 28 3.456 4.287 3.108 1.00 0.00 C ATOM 426 O THR A 28 2.904 3.727 2.162 1.00 0.00 O ATOM 427 CB THR A 28 4.185 4.134 5.555 1.00 0.00 C ATOM 428 OG1 THR A 28 4.665 5.455 5.323 1.00 0.00 O ATOM 429 CG2 THR A 28 5.385 3.240 5.234 1.00 0.00 C ATOM 0 H THR A 28 3.230 1.933 5.009 1.00 0.00 H new ATOM 0 HA THR A 28 2.266 4.687 4.796 1.00 0.00 H new ATOM 0 HB THR A 28 3.819 3.906 6.556 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.645 5.453 5.333 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.165 3.396 5.979 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.074 2.195 5.247 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.772 3.491 4.246 1.00 0.00 H new ATOM 437 N THR A 29 4.423 5.186 2.987 1.00 0.00 N ATOM 438 CA THR A 29 4.914 5.585 1.680 1.00 0.00 C ATOM 439 C THR A 29 6.067 4.680 1.243 1.00 0.00 C ATOM 440 O THR A 29 6.083 4.187 0.116 1.00 0.00 O ATOM 441 CB THR A 29 5.296 7.065 1.750 1.00 0.00 C ATOM 442 OG1 THR A 29 6.049 7.172 2.955 1.00 0.00 O ATOM 443 CG2 THR A 29 4.086 7.972 1.985 1.00 0.00 C ATOM 0 H THR A 29 4.879 5.649 3.773 1.00 0.00 H new ATOM 0 HA THR A 29 4.145 5.468 0.917 1.00 0.00 H new ATOM 0 HB THR A 29 5.793 7.356 0.824 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.339 8.100 3.079 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.413 9.011 2.026 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.374 7.848 1.169 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.608 7.704 2.927 1.00 0.00 H new ATOM 451 N LYS A 30 7.006 4.488 2.159 1.00 0.00 N ATOM 452 CA LYS A 30 8.160 3.651 1.883 1.00 0.00 C ATOM 453 C LYS A 30 7.692 2.225 1.587 1.00 0.00 C ATOM 454 O LYS A 30 8.211 1.572 0.683 1.00 0.00 O ATOM 455 CB LYS A 30 9.173 3.741 3.027 1.00 0.00 C ATOM 456 CG LYS A 30 10.603 3.582 2.507 1.00 0.00 C ATOM 457 CD LYS A 30 11.620 4.063 3.543 1.00 0.00 C ATOM 458 CE LYS A 30 13.015 3.513 3.239 1.00 0.00 C ATOM 459 NZ LYS A 30 13.989 3.985 4.249 1.00 0.00 N ATOM 0 H LYS A 30 6.990 4.898 3.093 1.00 0.00 H new ATOM 0 HA LYS A 30 8.684 4.005 0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.071 4.701 3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.963 2.967 3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.792 2.536 2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.723 4.149 1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.649 5.153 3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.309 3.745 4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.989 2.423 3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.329 3.831 2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.931 3.603 4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.026 5.024 4.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.696 3.660 5.192 1.00 0.00 H new ATOM 473 N GLU A 31 6.716 1.783 2.367 1.00 0.00 N ATOM 474 CA GLU A 31 6.172 0.446 2.200 1.00 0.00 C ATOM 475 C GLU A 31 5.388 0.352 0.889 1.00 0.00 C ATOM 476 O GLU A 31 5.191 -0.739 0.356 1.00 0.00 O ATOM 477 CB GLU A 31 5.295 0.058 3.392 1.00 0.00 C ATOM 478 CG GLU A 31 6.105 0.054 4.690 1.00 0.00 C ATOM 479 CD GLU A 31 5.213 -0.265 5.892 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.950 -1.469 6.100 1.00 0.00 O ATOM 481 OE2 GLU A 31 4.814 0.703 6.575 1.00 0.00 O ATOM 0 H GLU A 31 6.288 2.327 3.116 1.00 0.00 H new ATOM 0 HA GLU A 31 7.001 -0.260 2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.464 0.758 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.864 -0.929 3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.906 -0.683 4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.578 1.026 4.831 1.00 0.00 H new ATOM 488 N LEU A 32 4.962 1.510 0.407 1.00 0.00 N ATOM 489 CA LEU A 32 4.204 1.573 -0.831 1.00 0.00 C ATOM 490 C LEU A 32 5.172 1.645 -2.013 1.00 0.00 C ATOM 491 O LEU A 32 4.922 1.054 -3.063 1.00 0.00 O ATOM 492 CB LEU A 32 3.199 2.726 -0.787 1.00 0.00 C ATOM 493 CG LEU A 32 2.045 2.648 -1.788 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.746 2.230 -1.096 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.890 3.966 -2.550 1.00 0.00 C ATOM 0 H LEU A 32 5.127 2.413 0.852 1.00 0.00 H new ATOM 0 HA LEU A 32 3.609 0.669 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.779 2.778 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.738 3.658 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 32 2.281 1.877 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.058 2.182 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.877 1.250 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.492 2.960 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.063 3.884 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.687 4.772 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.810 4.182 -3.093 1.00 0.00 H new ATOM 507 N GLY A 33 6.258 2.376 -1.804 1.00 0.00 N ATOM 508 CA GLY A 33 7.265 2.533 -2.840 1.00 0.00 C ATOM 509 C GLY A 33 8.248 1.361 -2.832 1.00 0.00 C ATOM 510 O GLY A 33 9.240 1.374 -3.558 1.00 0.00 O ATOM 0 H GLY A 33 6.462 2.866 -0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.782 2.600 -3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.806 3.467 -2.688 1.00 0.00 H new ATOM 514 N THR A 34 7.938 0.376 -2.002 1.00 0.00 N ATOM 515 CA THR A 34 8.781 -0.802 -1.889 1.00 0.00 C ATOM 516 C THR A 34 8.332 -1.877 -2.881 1.00 0.00 C ATOM 517 O THR A 34 9.090 -2.264 -3.769 1.00 0.00 O ATOM 518 CB THR A 34 8.751 -1.268 -0.433 1.00 0.00 C ATOM 519 OG1 THR A 34 9.969 -0.772 0.116 1.00 0.00 O ATOM 520 CG2 THR A 34 8.875 -2.787 -0.301 1.00 0.00 C ATOM 0 H THR A 34 7.114 0.370 -1.401 1.00 0.00 H new ATOM 0 HA THR A 34 9.814 -0.575 -2.151 1.00 0.00 H new ATOM 0 HB THR A 34 7.823 -0.938 0.034 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.823 0.128 0.475 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.848 -3.064 0.753 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.047 -3.266 -0.823 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.818 -3.114 -0.738 1.00 0.00 H new ATOM 528 N VAL A 35 7.100 -2.328 -2.696 1.00 0.00 N ATOM 529 CA VAL A 35 6.540 -3.351 -3.564 1.00 0.00 C ATOM 530 C VAL A 35 6.738 -2.939 -5.024 1.00 0.00 C ATOM 531 O VAL A 35 6.787 -3.790 -5.911 1.00 0.00 O ATOM 532 CB VAL A 35 5.073 -3.595 -3.205 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.269 -4.013 -4.438 1.00 0.00 C ATOM 534 CG2 VAL A 35 4.947 -4.636 -2.090 1.00 0.00 C ATOM 0 H VAL A 35 6.474 -2.004 -1.959 1.00 0.00 H new ATOM 0 HA VAL A 35 7.058 -4.299 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 35 4.658 -2.657 -2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.230 -4.180 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.318 -3.225 -5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.685 -4.932 -4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.894 -4.791 -1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.387 -5.577 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.470 -4.282 -1.201 1.00 0.00 H new ATOM 544 N MET A 36 6.846 -1.635 -5.228 1.00 0.00 N ATOM 545 CA MET A 36 7.037 -1.100 -6.566 1.00 0.00 C ATOM 546 C MET A 36 8.416 -1.474 -7.114 1.00 0.00 C ATOM 547 O MET A 36 8.589 -1.619 -8.323 1.00 0.00 O ATOM 548 CB MET A 36 6.897 0.423 -6.531 1.00 0.00 C ATOM 549 CG MET A 36 5.496 0.835 -6.074 1.00 0.00 C ATOM 550 SD MET A 36 4.717 1.843 -7.324 1.00 0.00 S ATOM 551 CE MET A 36 3.015 1.353 -7.101 1.00 0.00 C ATOM 0 H MET A 36 6.805 -0.933 -4.490 1.00 0.00 H new ATOM 0 HA MET A 36 6.278 -1.529 -7.221 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.642 0.845 -5.856 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.095 0.833 -7.521 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.892 -0.052 -5.882 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.558 1.388 -5.136 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.385 1.892 -7.809 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.919 0.281 -7.274 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.699 1.586 -6.084 1.00 0.00 H new ATOM 561 N ARG A 37 9.362 -1.619 -6.197 1.00 0.00 N ATOM 562 CA ARG A 37 10.720 -1.973 -6.574 1.00 0.00 C ATOM 563 C ARG A 37 10.714 -3.196 -7.493 1.00 0.00 C ATOM 564 O ARG A 37 11.296 -3.165 -8.577 1.00 0.00 O ATOM 565 CB ARG A 37 11.572 -2.275 -5.340 1.00 0.00 C ATOM 566 CG ARG A 37 11.610 -1.075 -4.392 1.00 0.00 C ATOM 567 CD ARG A 37 12.763 -0.133 -4.746 1.00 0.00 C ATOM 568 NE ARG A 37 12.292 1.270 -4.735 1.00 0.00 N ATOM 569 CZ ARG A 37 13.095 2.330 -4.570 1.00 0.00 C ATOM 570 NH1 ARG A 37 14.412 2.154 -4.401 1.00 0.00 N ATOM 571 NH2 ARG A 37 12.580 3.567 -4.573 1.00 0.00 N ATOM 0 H ARG A 37 9.215 -1.498 -5.195 1.00 0.00 H new ATOM 0 HA ARG A 37 11.151 -1.121 -7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.168 -3.142 -4.818 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.586 -2.532 -5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.665 -0.535 -4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.721 -1.422 -3.365 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.577 -0.257 -4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.160 -0.384 -5.730 1.00 0.00 H new ATOM 0 HE ARG A 37 11.294 1.441 -4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.804 1.213 -4.398 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.022 2.961 -4.275 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.577 3.702 -4.701 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.191 4.374 -4.447 1.00 0.00 H new ATOM 585 N SER A 38 10.050 -4.243 -7.028 1.00 0.00 N ATOM 586 CA SER A 38 9.961 -5.474 -7.795 1.00 0.00 C ATOM 587 C SER A 38 9.457 -5.175 -9.208 1.00 0.00 C ATOM 588 O SER A 38 9.800 -5.880 -10.156 1.00 0.00 O ATOM 589 CB SER A 38 9.042 -6.486 -7.108 1.00 0.00 C ATOM 590 OG SER A 38 9.673 -7.108 -5.992 1.00 0.00 O ATOM 0 H SER A 38 9.568 -4.265 -6.129 1.00 0.00 H new ATOM 0 HA SER A 38 10.958 -5.911 -7.856 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.133 -5.984 -6.777 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.741 -7.249 -7.826 1.00 0.00 H new ATOM 0 HG SER A 38 9.054 -7.746 -5.580 1.00 0.00 H new ATOM 596 N LEU A 39 8.652 -4.127 -9.306 1.00 0.00 N ATOM 597 CA LEU A 39 8.099 -3.725 -10.588 1.00 0.00 C ATOM 598 C LEU A 39 9.011 -2.676 -11.226 1.00 0.00 C ATOM 599 O LEU A 39 8.534 -1.747 -11.877 1.00 0.00 O ATOM 600 CB LEU A 39 6.650 -3.262 -10.424 1.00 0.00 C ATOM 601 CG LEU A 39 5.597 -4.074 -11.182 1.00 0.00 C ATOM 602 CD1 LEU A 39 4.797 -4.961 -10.226 1.00 0.00 C ATOM 603 CD2 LEU A 39 4.691 -3.159 -12.009 1.00 0.00 C ATOM 0 H LEU A 39 8.370 -3.544 -8.518 1.00 0.00 H new ATOM 0 HA LEU A 39 8.063 -4.574 -11.271 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.401 -3.282 -9.363 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.582 -2.224 -10.748 1.00 0.00 H new ATOM 0 HG LEU A 39 6.111 -4.735 -11.880 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.056 -5.527 -10.790 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.472 -5.651 -9.719 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.293 -4.338 -9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.952 -3.761 -12.538 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.182 -2.457 -11.348 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.293 -2.607 -12.731 1.00 0.00 H new ATOM 615 N GLY A 40 10.307 -2.860 -11.019 1.00 0.00 N ATOM 616 CA GLY A 40 11.290 -1.940 -11.566 1.00 0.00 C ATOM 617 C GLY A 40 10.787 -0.497 -11.500 1.00 0.00 C ATOM 618 O GLY A 40 11.151 0.330 -12.335 1.00 0.00 O ATOM 0 H GLY A 40 10.699 -3.632 -10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.224 -2.029 -11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.506 -2.206 -12.601 1.00 0.00 H new ATOM 622 N GLN A 41 9.959 -0.237 -10.499 1.00 0.00 N ATOM 623 CA GLN A 41 9.402 1.092 -10.313 1.00 0.00 C ATOM 624 C GLN A 41 10.076 1.788 -9.129 1.00 0.00 C ATOM 625 O GLN A 41 10.977 1.229 -8.506 1.00 0.00 O ATOM 626 CB GLN A 41 7.886 1.030 -10.123 1.00 0.00 C ATOM 627 CG GLN A 41 7.167 0.958 -11.472 1.00 0.00 C ATOM 628 CD GLN A 41 5.792 1.626 -11.396 1.00 0.00 C ATOM 629 OE1 GLN A 41 5.618 2.786 -11.731 1.00 0.00 O ATOM 630 NE2 GLN A 41 4.829 0.831 -10.939 1.00 0.00 N ATOM 0 H GLN A 41 9.660 -0.925 -9.808 1.00 0.00 H new ATOM 0 HA GLN A 41 9.598 1.676 -11.212 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.627 0.159 -9.522 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.548 1.909 -9.573 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.771 1.446 -12.237 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.053 -0.084 -11.773 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.044 -0.131 -10.676 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.876 1.183 -10.851 1.00 0.00 H new ATOM 639 N ASN A 42 9.612 2.998 -8.853 1.00 0.00 N ATOM 640 CA ASN A 42 10.157 3.776 -7.754 1.00 0.00 C ATOM 641 C ASN A 42 9.611 5.204 -7.825 1.00 0.00 C ATOM 642 O ASN A 42 10.330 6.129 -8.200 1.00 0.00 O ATOM 643 CB ASN A 42 11.683 3.849 -7.835 1.00 0.00 C ATOM 644 CG ASN A 42 12.233 4.910 -6.880 1.00 0.00 C ATOM 645 OD1 ASN A 42 11.520 5.492 -6.079 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.539 5.129 -7.009 1.00 0.00 N ATOM 0 H ASN A 42 8.864 3.459 -9.372 1.00 0.00 H new ATOM 0 HA ASN A 42 9.868 3.291 -6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.111 2.877 -7.589 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.986 4.082 -8.856 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.001 5.819 -6.417 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.078 4.607 -7.700 1.00 0.00 H new ATOM 653 N PRO A 43 8.312 5.341 -7.448 1.00 0.00 N ATOM 654 CA PRO A 43 7.661 6.640 -7.466 1.00 0.00 C ATOM 655 C PRO A 43 8.129 7.503 -6.292 1.00 0.00 C ATOM 656 O PRO A 43 8.138 7.050 -5.149 1.00 0.00 O ATOM 657 CB PRO A 43 6.173 6.336 -7.423 1.00 0.00 C ATOM 658 CG PRO A 43 6.054 4.908 -6.916 1.00 0.00 C ATOM 659 CD PRO A 43 7.431 4.268 -6.998 1.00 0.00 C ATOM 0 HA PRO A 43 7.909 7.222 -8.353 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.652 7.029 -6.763 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.725 6.438 -8.411 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.688 4.897 -5.889 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.337 4.348 -7.516 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.745 3.878 -6.030 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.438 3.431 -7.696 1.00 0.00 H new ATOM 667 N THR A 44 8.506 8.732 -6.616 1.00 0.00 N ATOM 668 CA THR A 44 8.973 9.662 -5.602 1.00 0.00 C ATOM 669 C THR A 44 7.986 9.720 -4.435 1.00 0.00 C ATOM 670 O THR A 44 6.805 9.418 -4.601 1.00 0.00 O ATOM 671 CB THR A 44 9.199 11.018 -6.274 1.00 0.00 C ATOM 672 OG1 THR A 44 8.059 11.185 -7.113 1.00 0.00 O ATOM 673 CG2 THR A 44 10.379 11.000 -7.248 1.00 0.00 C ATOM 0 H THR A 44 8.497 9.105 -7.566 1.00 0.00 H new ATOM 0 HA THR A 44 9.919 9.334 -5.170 1.00 0.00 H new ATOM 0 HB THR A 44 9.370 11.777 -5.510 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.123 12.041 -7.586 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.495 11.986 -7.697 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.290 10.736 -6.711 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.193 10.265 -8.031 1.00 0.00 H new ATOM 681 N GLU A 45 8.506 10.109 -3.280 1.00 0.00 N ATOM 682 CA GLU A 45 7.685 10.210 -2.086 1.00 0.00 C ATOM 683 C GLU A 45 6.447 11.065 -2.363 1.00 0.00 C ATOM 684 O GLU A 45 5.373 10.803 -1.823 1.00 0.00 O ATOM 685 CB GLU A 45 8.490 10.775 -0.914 1.00 0.00 C ATOM 686 CG GLU A 45 9.218 9.660 -0.161 1.00 0.00 C ATOM 687 CD GLU A 45 10.156 10.238 0.902 1.00 0.00 C ATOM 688 OE1 GLU A 45 9.624 10.743 1.913 1.00 0.00 O ATOM 689 OE2 GLU A 45 11.383 10.160 0.678 1.00 0.00 O ATOM 0 H GLU A 45 9.486 10.358 -3.146 1.00 0.00 H new ATOM 0 HA GLU A 45 7.356 9.208 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.213 11.502 -1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.824 11.304 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.490 9.000 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.789 9.054 -0.864 1.00 0.00 H new ATOM 696 N ALA A 46 6.638 12.070 -3.205 1.00 0.00 N ATOM 697 CA ALA A 46 5.550 12.965 -3.561 1.00 0.00 C ATOM 698 C ALA A 46 4.460 12.173 -4.286 1.00 0.00 C ATOM 699 O ALA A 46 3.273 12.355 -4.018 1.00 0.00 O ATOM 700 CB ALA A 46 6.093 14.119 -4.406 1.00 0.00 C ATOM 0 H ALA A 46 7.530 12.284 -3.651 1.00 0.00 H new ATOM 0 HA ALA A 46 5.102 13.399 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.277 14.790 -4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.842 14.668 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.548 13.723 -5.314 1.00 0.00 H new ATOM 706 N GLU A 47 4.902 11.312 -5.190 1.00 0.00 N ATOM 707 CA GLU A 47 3.979 10.491 -5.956 1.00 0.00 C ATOM 708 C GLU A 47 3.140 9.621 -5.019 1.00 0.00 C ATOM 709 O GLU A 47 1.917 9.744 -4.981 1.00 0.00 O ATOM 710 CB GLU A 47 4.727 9.634 -6.979 1.00 0.00 C ATOM 711 CG GLU A 47 3.754 8.785 -7.799 1.00 0.00 C ATOM 712 CD GLU A 47 3.782 9.190 -9.274 1.00 0.00 C ATOM 713 OE1 GLU A 47 3.497 10.377 -9.542 1.00 0.00 O ATOM 714 OE2 GLU A 47 4.087 8.303 -10.101 1.00 0.00 O ATOM 0 H GLU A 47 5.887 11.165 -5.410 1.00 0.00 H new ATOM 0 HA GLU A 47 3.307 11.150 -6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.304 10.276 -7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.437 8.986 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.015 7.731 -7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.744 8.901 -7.406 1.00 0.00 H new ATOM 721 N LEU A 48 3.831 8.760 -4.286 1.00 0.00 N ATOM 722 CA LEU A 48 3.164 7.869 -3.352 1.00 0.00 C ATOM 723 C LEU A 48 2.133 8.661 -2.545 1.00 0.00 C ATOM 724 O LEU A 48 0.947 8.335 -2.557 1.00 0.00 O ATOM 725 CB LEU A 48 4.190 7.135 -2.486 1.00 0.00 C ATOM 726 CG LEU A 48 5.231 6.304 -3.239 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.542 6.225 -2.453 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.683 4.917 -3.580 1.00 0.00 C ATOM 0 H LEU A 48 4.846 8.661 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 48 2.620 7.092 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.714 7.871 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.654 6.477 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 48 5.450 6.804 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.265 5.629 -3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.938 7.230 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.358 5.760 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.443 4.347 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.417 4.395 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.798 5.020 -4.208 1.00 0.00 H new ATOM 740 N GLN A 49 2.623 9.687 -1.865 1.00 0.00 N ATOM 741 CA GLN A 49 1.759 10.528 -1.054 1.00 0.00 C ATOM 742 C GLN A 49 0.459 10.830 -1.803 1.00 0.00 C ATOM 743 O GLN A 49 -0.620 10.809 -1.213 1.00 0.00 O ATOM 744 CB GLN A 49 2.472 11.820 -0.651 1.00 0.00 C ATOM 745 CG GLN A 49 2.103 12.227 0.777 1.00 0.00 C ATOM 746 CD GLN A 49 3.022 11.550 1.795 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.231 11.491 1.637 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.384 11.044 2.847 1.00 0.00 N ATOM 0 H GLN A 49 3.607 9.955 -1.859 1.00 0.00 H new ATOM 0 HA GLN A 49 1.513 9.988 -0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.551 11.683 -0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.203 12.619 -1.342 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.175 13.310 0.880 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.067 11.956 0.980 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.370 11.128 2.917 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.909 10.572 3.583 1.00 0.00 H new ATOM 757 N ASP A 50 0.605 11.105 -3.090 1.00 0.00 N ATOM 758 CA ASP A 50 -0.544 11.412 -3.925 1.00 0.00 C ATOM 759 C ASP A 50 -1.404 10.156 -4.083 1.00 0.00 C ATOM 760 O ASP A 50 -2.631 10.233 -4.064 1.00 0.00 O ATOM 761 CB ASP A 50 -0.106 11.863 -5.320 1.00 0.00 C ATOM 762 CG ASP A 50 -0.459 13.310 -5.672 1.00 0.00 C ATOM 763 OD1 ASP A 50 0.324 14.198 -5.272 1.00 0.00 O ATOM 764 OD2 ASP A 50 -1.503 13.495 -6.333 1.00 0.00 O ATOM 0 H ASP A 50 1.502 11.122 -3.576 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.105 12.215 -3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.973 11.737 -5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.562 11.204 -6.059 1.00 0.00 H new ATOM 769 N MET A 51 -0.725 9.028 -4.235 1.00 0.00 N ATOM 770 CA MET A 51 -1.412 7.758 -4.396 1.00 0.00 C ATOM 771 C MET A 51 -2.136 7.359 -3.108 1.00 0.00 C ATOM 772 O MET A 51 -3.343 7.121 -3.119 1.00 0.00 O ATOM 773 CB MET A 51 -0.399 6.673 -4.769 1.00 0.00 C ATOM 774 CG MET A 51 0.407 7.078 -6.005 1.00 0.00 C ATOM 775 SD MET A 51 1.861 6.052 -6.148 1.00 0.00 S ATOM 776 CE MET A 51 1.709 5.535 -7.850 1.00 0.00 C ATOM 0 H MET A 51 0.293 8.967 -4.250 1.00 0.00 H new ATOM 0 HA MET A 51 -2.152 7.865 -5.189 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.276 6.497 -3.932 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.920 5.735 -4.961 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.208 6.978 -6.899 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.697 8.126 -5.933 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.543 4.882 -8.108 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.771 4.996 -7.984 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.720 6.411 -8.499 1.00 0.00 H new ATOM 786 N ILE A 52 -1.368 7.298 -2.030 1.00 0.00 N ATOM 787 CA ILE A 52 -1.922 6.933 -0.737 1.00 0.00 C ATOM 788 C ILE A 52 -3.237 7.683 -0.519 1.00 0.00 C ATOM 789 O ILE A 52 -4.234 7.090 -0.109 1.00 0.00 O ATOM 790 CB ILE A 52 -0.892 7.162 0.371 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.225 6.118 0.306 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.563 7.199 1.745 1.00 0.00 C ATOM 793 CD1 ILE A 52 1.007 6.070 1.620 1.00 0.00 C ATOM 0 H ILE A 52 -0.367 7.495 -2.025 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.154 5.868 -0.710 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.431 8.137 0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.201 5.137 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.901 6.354 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.808 7.363 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.291 8.010 1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.068 6.251 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.795 5.320 1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.452 7.046 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.332 5.810 2.436 1.00 0.00 H new ATOM 805 N ASN A 53 -3.197 8.977 -0.803 1.00 0.00 N ATOM 806 CA ASN A 53 -4.373 9.815 -0.644 1.00 0.00 C ATOM 807 C ASN A 53 -5.556 9.169 -1.368 1.00 0.00 C ATOM 808 O ASN A 53 -6.632 9.016 -0.792 1.00 0.00 O ATOM 809 CB ASN A 53 -4.148 11.202 -1.249 1.00 0.00 C ATOM 810 CG ASN A 53 -3.556 12.162 -0.215 1.00 0.00 C ATOM 811 OD1 ASN A 53 -3.725 12.006 0.983 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.856 13.161 -0.744 1.00 0.00 N ATOM 0 H ASN A 53 -2.368 9.465 -1.142 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.573 9.916 0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.477 11.125 -2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.093 11.599 -1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.421 13.856 -0.137 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.754 13.232 -1.756 1.00 0.00 H new ATOM 819 N GLU A 54 -5.317 8.808 -2.620 1.00 0.00 N ATOM 820 CA GLU A 54 -6.349 8.182 -3.429 1.00 0.00 C ATOM 821 C GLU A 54 -6.962 6.996 -2.682 1.00 0.00 C ATOM 822 O GLU A 54 -8.152 6.717 -2.824 1.00 0.00 O ATOM 823 CB GLU A 54 -5.794 7.748 -4.786 1.00 0.00 C ATOM 824 CG GLU A 54 -5.522 8.959 -5.681 1.00 0.00 C ATOM 825 CD GLU A 54 -5.637 8.585 -7.160 1.00 0.00 C ATOM 826 OE1 GLU A 54 -6.772 8.658 -7.677 1.00 0.00 O ATOM 827 OE2 GLU A 54 -4.586 8.234 -7.740 1.00 0.00 O ATOM 0 H GLU A 54 -4.423 8.937 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.134 8.915 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.873 7.184 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.503 7.081 -5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.230 9.754 -5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.525 9.349 -5.477 1.00 0.00 H new ATOM 834 N VAL A 55 -6.123 6.330 -1.903 1.00 0.00 N ATOM 835 CA VAL A 55 -6.568 5.180 -1.134 1.00 0.00 C ATOM 836 C VAL A 55 -6.581 5.541 0.353 1.00 0.00 C ATOM 837 O VAL A 55 -6.299 4.698 1.203 1.00 0.00 O ATOM 838 CB VAL A 55 -5.687 3.969 -1.447 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.345 3.070 -2.496 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.292 4.407 -1.897 1.00 0.00 C ATOM 0 H VAL A 55 -5.137 6.565 -1.788 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.586 4.905 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.576 3.389 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.699 2.217 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.305 2.716 -2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.500 3.636 -3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.686 3.527 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.375 5.020 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.819 4.987 -1.104 1.00 0.00 H new ATOM 850 N ASP A 56 -6.912 6.796 0.622 1.00 0.00 N ATOM 851 CA ASP A 56 -6.966 7.278 1.991 1.00 0.00 C ATOM 852 C ASP A 56 -7.842 8.531 2.052 1.00 0.00 C ATOM 853 O ASP A 56 -7.449 9.592 1.569 1.00 0.00 O ATOM 854 CB ASP A 56 -5.572 7.652 2.499 1.00 0.00 C ATOM 855 CG ASP A 56 -5.552 8.641 3.666 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.945 8.218 4.775 1.00 0.00 O ATOM 857 OD2 ASP A 56 -5.145 9.797 3.423 1.00 0.00 O ATOM 0 H ASP A 56 -7.145 7.493 -0.085 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.375 6.481 2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.057 6.741 2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.003 8.077 1.672 1.00 0.00 H new ATOM 862 N ALA A 57 -9.014 8.367 2.649 1.00 0.00 N ATOM 863 CA ALA A 57 -9.949 9.471 2.778 1.00 0.00 C ATOM 864 C ALA A 57 -9.867 10.039 4.197 1.00 0.00 C ATOM 865 O ALA A 57 -10.434 11.093 4.481 1.00 0.00 O ATOM 866 CB ALA A 57 -11.358 8.992 2.423 1.00 0.00 C ATOM 0 H ALA A 57 -9.337 7.486 3.049 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.694 10.273 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.059 9.821 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.370 8.625 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.650 8.188 3.099 1.00 0.00 H new ATOM 872 N ASP A 58 -9.157 9.315 5.050 1.00 0.00 N ATOM 873 CA ASP A 58 -8.993 9.734 6.431 1.00 0.00 C ATOM 874 C ASP A 58 -7.947 10.848 6.502 1.00 0.00 C ATOM 875 O ASP A 58 -8.132 11.834 7.214 1.00 0.00 O ATOM 876 CB ASP A 58 -8.510 8.574 7.305 1.00 0.00 C ATOM 877 CG ASP A 58 -7.103 8.743 7.882 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.989 9.459 8.900 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.173 8.151 7.292 1.00 0.00 O ATOM 0 H ASP A 58 -8.689 8.441 4.811 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.960 10.081 6.795 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.211 8.443 8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.537 7.658 6.715 1.00 0.00 H new ATOM 884 N GLY A 59 -6.871 10.653 5.754 1.00 0.00 N ATOM 885 CA GLY A 59 -5.795 11.629 5.723 1.00 0.00 C ATOM 886 C GLY A 59 -4.815 11.402 6.876 1.00 0.00 C ATOM 887 O GLY A 59 -4.215 12.349 7.382 1.00 0.00 O ATOM 0 H GLY A 59 -6.721 9.834 5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.266 11.562 4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.210 12.635 5.786 1.00 0.00 H new ATOM 891 N ASN A 60 -4.683 10.140 7.258 1.00 0.00 N ATOM 892 CA ASN A 60 -3.786 9.776 8.342 1.00 0.00 C ATOM 893 C ASN A 60 -2.349 9.742 7.820 1.00 0.00 C ATOM 894 O ASN A 60 -1.399 9.780 8.601 1.00 0.00 O ATOM 895 CB ASN A 60 -4.122 8.389 8.893 1.00 0.00 C ATOM 896 CG ASN A 60 -3.831 7.302 7.856 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.944 7.504 6.658 1.00 0.00 O ATOM 898 ND2 ASN A 60 -3.451 6.141 8.382 1.00 0.00 N ATOM 0 H ASN A 60 -5.182 9.357 6.836 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.898 10.516 9.135 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.540 8.201 9.795 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.173 8.352 9.179 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.234 5.352 7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.377 6.040 9.394 1.00 0.00 H new ATOM 905 N GLY A 61 -2.234 9.671 6.502 1.00 0.00 N ATOM 906 CA GLY A 61 -0.928 9.631 5.866 1.00 0.00 C ATOM 907 C GLY A 61 -0.541 8.198 5.496 1.00 0.00 C ATOM 908 O GLY A 61 0.197 7.978 4.538 1.00 0.00 O ATOM 0 H GLY A 61 -3.024 9.640 5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.937 10.252 4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.180 10.052 6.538 1.00 0.00 H new ATOM 912 N THR A 62 -1.058 7.260 6.277 1.00 0.00 N ATOM 913 CA THR A 62 -0.776 5.854 6.044 1.00 0.00 C ATOM 914 C THR A 62 -1.972 5.174 5.375 1.00 0.00 C ATOM 915 O THR A 62 -3.052 5.755 5.289 1.00 0.00 O ATOM 916 CB THR A 62 -0.387 5.221 7.382 1.00 0.00 C ATOM 917 OG1 THR A 62 0.539 6.145 7.947 1.00 0.00 O ATOM 918 CG2 THR A 62 0.426 3.937 7.209 1.00 0.00 C ATOM 0 H THR A 62 -1.670 7.447 7.071 1.00 0.00 H new ATOM 0 HA THR A 62 0.058 5.727 5.354 1.00 0.00 H new ATOM 0 HB THR A 62 -1.288 5.005 7.956 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.842 5.814 8.818 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.675 3.530 8.189 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.161 3.207 6.651 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.344 4.158 6.664 1.00 0.00 H new ATOM 926 N ILE A 63 -1.738 3.952 4.918 1.00 0.00 N ATOM 927 CA ILE A 63 -2.782 3.187 4.259 1.00 0.00 C ATOM 928 C ILE A 63 -3.137 1.971 5.118 1.00 0.00 C ATOM 929 O ILE A 63 -2.254 1.326 5.681 1.00 0.00 O ATOM 930 CB ILE A 63 -2.366 2.830 2.831 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.303 4.080 1.950 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.286 1.759 2.242 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.509 4.150 1.012 1.00 0.00 C ATOM 0 H ILE A 63 -0.840 3.473 4.991 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.688 3.785 4.162 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.362 2.408 2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.274 4.971 2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.383 4.071 1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.968 1.524 1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.236 0.859 2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.311 2.129 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.440 5.047 0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.522 3.270 0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.426 4.183 1.600 1.00 0.00 H new ATOM 945 N ASP A 64 -4.430 1.695 5.191 1.00 0.00 N ATOM 946 CA ASP A 64 -4.912 0.568 5.972 1.00 0.00 C ATOM 947 C ASP A 64 -5.337 -0.557 5.026 1.00 0.00 C ATOM 948 O ASP A 64 -5.086 -0.490 3.824 1.00 0.00 O ATOM 949 CB ASP A 64 -6.127 0.961 6.814 1.00 0.00 C ATOM 950 CG ASP A 64 -5.909 2.155 7.746 1.00 0.00 C ATOM 951 OD1 ASP A 64 -5.042 2.989 7.406 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.615 2.207 8.776 1.00 0.00 O ATOM 0 H ASP A 64 -5.159 2.232 4.722 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.106 0.245 6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.956 1.189 6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.428 0.102 7.413 1.00 0.00 H new ATOM 957 N PHE A 65 -5.972 -1.566 5.606 1.00 0.00 N ATOM 958 CA PHE A 65 -6.433 -2.704 4.830 1.00 0.00 C ATOM 959 C PHE A 65 -7.721 -2.368 4.076 1.00 0.00 C ATOM 960 O PHE A 65 -7.864 -2.706 2.902 1.00 0.00 O ATOM 961 CB PHE A 65 -6.716 -3.835 5.820 1.00 0.00 C ATOM 962 CG PHE A 65 -7.353 -5.073 5.186 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.813 -5.615 4.061 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.459 -5.632 5.746 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.404 -6.764 3.472 1.00 0.00 C ATOM 966 CE2 PHE A 65 -9.050 -6.781 5.157 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.510 -7.323 4.032 1.00 0.00 C ATOM 0 H PHE A 65 -6.178 -1.618 6.604 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.677 -2.985 4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.782 -4.126 6.300 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.375 -3.461 6.604 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.935 -5.171 3.616 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.888 -5.202 6.639 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.975 -7.194 2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.928 -7.225 5.602 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.960 -8.197 3.584 1.00 0.00 H new ATOM 977 N PRO A 66 -8.651 -1.689 4.800 1.00 0.00 N ATOM 978 CA PRO A 66 -9.923 -1.304 4.213 1.00 0.00 C ATOM 979 C PRO A 66 -9.750 -0.119 3.260 1.00 0.00 C ATOM 980 O PRO A 66 -10.612 0.140 2.423 1.00 0.00 O ATOM 981 CB PRO A 66 -10.823 -0.988 5.396 1.00 0.00 C ATOM 982 CG PRO A 66 -9.894 -0.759 6.577 1.00 0.00 C ATOM 983 CD PRO A 66 -8.516 -1.273 6.193 1.00 0.00 C ATOM 0 HA PRO A 66 -10.358 -2.092 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.430 -0.104 5.200 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.511 -1.810 5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.850 0.301 6.828 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.263 -1.280 7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.759 -0.497 6.303 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.213 -2.106 6.828 1.00 0.00 H new ATOM 991 N GLU A 67 -8.629 0.569 3.420 1.00 0.00 N ATOM 992 CA GLU A 67 -8.332 1.720 2.585 1.00 0.00 C ATOM 993 C GLU A 67 -7.574 1.284 1.330 1.00 0.00 C ATOM 994 O GLU A 67 -7.621 1.962 0.305 1.00 0.00 O ATOM 995 CB GLU A 67 -7.541 2.773 3.364 1.00 0.00 C ATOM 996 CG GLU A 67 -8.147 2.999 4.751 1.00 0.00 C ATOM 997 CD GLU A 67 -7.145 3.685 5.682 1.00 0.00 C ATOM 998 OE1 GLU A 67 -5.977 3.820 5.258 1.00 0.00 O ATOM 999 OE2 GLU A 67 -7.569 4.058 6.797 1.00 0.00 O ATOM 0 H GLU A 67 -7.916 0.351 4.116 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.274 2.174 2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.504 2.453 3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.533 3.711 2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.045 3.610 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.451 2.044 5.179 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.893 0.154 1.451 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.127 -0.381 0.338 1.00 0.00 C ATOM 1008 C PHE A 68 -6.980 -1.325 -0.511 1.00 0.00 C ATOM 1009 O PHE A 68 -6.807 -1.399 -1.727 1.00 0.00 O ATOM 1010 CB PHE A 68 -4.959 -1.168 0.937 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.537 -2.382 0.107 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.256 -3.535 0.174 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.442 -2.310 -0.696 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.864 -4.662 -0.596 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -3.050 -3.437 -1.465 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.769 -4.589 -1.399 1.00 0.00 C ATOM 0 H PHE A 68 -6.856 -0.406 2.303 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.785 0.431 -0.303 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.104 -0.501 1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.234 -1.502 1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.125 -3.593 0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.870 -1.395 -0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.435 -5.577 -0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.180 -3.379 -2.103 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.470 -5.446 -1.984 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.882 -2.024 0.162 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.763 -2.960 -0.516 1.00 0.00 C ATOM 1028 C LEU A 69 -9.210 -2.358 -1.849 1.00 0.00 C ATOM 1029 O LEU A 69 -9.195 -3.035 -2.876 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.922 -3.362 0.397 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.658 -4.539 1.339 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.656 -4.549 2.498 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.655 -5.864 0.573 1.00 0.00 C ATOM 0 H LEU A 69 -8.022 -1.961 1.170 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.233 -3.885 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.201 -2.497 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.781 -3.608 -0.227 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.665 -4.414 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.446 -5.395 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.566 -3.622 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.669 -4.637 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.465 -6.684 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.623 -6.010 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.874 -5.843 -0.187 1.00 0.00 H new ATOM 1045 N THR A 70 -9.598 -1.093 -1.791 1.00 0.00 N ATOM 1046 CA THR A 70 -10.049 -0.392 -2.981 1.00 0.00 C ATOM 1047 C THR A 70 -9.019 -0.530 -4.104 1.00 0.00 C ATOM 1048 O THR A 70 -9.371 -0.851 -5.238 1.00 0.00 O ATOM 1049 CB THR A 70 -10.336 1.060 -2.595 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.626 1.699 -3.835 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.090 1.787 -2.084 1.00 0.00 C ATOM 0 H THR A 70 -9.609 -0.535 -0.938 1.00 0.00 H new ATOM 0 HA THR A 70 -10.969 -0.827 -3.371 1.00 0.00 H new ATOM 0 HB THR A 70 -11.111 1.085 -1.829 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.825 2.645 -3.677 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.349 2.813 -1.824 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.706 1.275 -1.202 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.327 1.791 -2.862 1.00 0.00 H new ATOM 1059 N MET A 71 -7.767 -0.281 -3.748 1.00 0.00 N ATOM 1060 CA MET A 71 -6.684 -0.374 -4.712 1.00 0.00 C ATOM 1061 C MET A 71 -6.777 -1.670 -5.519 1.00 0.00 C ATOM 1062 O MET A 71 -6.774 -1.641 -6.749 1.00 0.00 O ATOM 1063 CB MET A 71 -5.342 -0.325 -3.978 1.00 0.00 C ATOM 1064 CG MET A 71 -4.430 0.749 -4.575 1.00 0.00 C ATOM 1065 SD MET A 71 -2.925 0.003 -5.181 1.00 0.00 S ATOM 1066 CE MET A 71 -3.106 0.319 -6.928 1.00 0.00 C ATOM 0 H MET A 71 -7.479 -0.015 -2.806 1.00 0.00 H new ATOM 0 HA MET A 71 -6.763 0.467 -5.401 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.509 -0.119 -2.921 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.854 -1.298 -4.040 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.943 1.263 -5.387 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.195 1.500 -3.820 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.245 -0.084 -7.462 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.015 -0.159 -7.292 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.168 1.394 -7.099 1.00 0.00 H new ATOM 1076 N MET A 72 -6.857 -2.776 -4.795 1.00 0.00 N ATOM 1077 CA MET A 72 -6.951 -4.081 -5.428 1.00 0.00 C ATOM 1078 C MET A 72 -8.090 -4.114 -6.449 1.00 0.00 C ATOM 1079 O MET A 72 -7.899 -4.549 -7.584 1.00 0.00 O ATOM 1080 CB MET A 72 -7.191 -5.151 -4.361 1.00 0.00 C ATOM 1081 CG MET A 72 -5.964 -5.311 -3.461 1.00 0.00 C ATOM 1082 SD MET A 72 -5.168 -6.875 -3.788 1.00 0.00 S ATOM 1083 CE MET A 72 -3.914 -6.348 -4.944 1.00 0.00 C ATOM 0 H MET A 72 -6.859 -2.796 -3.775 1.00 0.00 H new ATOM 0 HA MET A 72 -6.014 -4.279 -5.949 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.057 -4.880 -3.757 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.422 -6.102 -4.840 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.265 -4.494 -3.637 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.261 -5.257 -2.414 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.287 -7.198 -5.213 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.390 -5.950 -5.840 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.299 -5.574 -4.486 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.250 -3.648 -6.009 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.420 -3.619 -6.870 1.00 0.00 C ATOM 1095 C ALA A 73 -10.024 -3.072 -8.243 1.00 0.00 C ATOM 1096 O ALA A 73 -10.291 -3.700 -9.266 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.521 -2.789 -6.208 1.00 0.00 C ATOM 0 H ALA A 73 -9.404 -3.288 -5.067 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.813 -4.625 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.399 -2.767 -6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.787 -3.235 -5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.163 -1.772 -6.048 1.00 0.00 H new ATOM 1103 N ARG A 74 -9.392 -1.908 -8.221 1.00 0.00 N ATOM 1104 CA ARG A 74 -8.956 -1.269 -9.451 1.00 0.00 C ATOM 1105 C ARG A 74 -7.430 -1.169 -9.485 1.00 0.00 C ATOM 1106 O ARG A 74 -6.870 -0.090 -9.298 1.00 0.00 O ATOM 1107 CB ARG A 74 -9.555 0.132 -9.587 1.00 0.00 C ATOM 1108 CG ARG A 74 -11.062 0.113 -9.321 1.00 0.00 C ATOM 1109 CD ARG A 74 -11.550 1.476 -8.828 1.00 0.00 C ATOM 1110 NE ARG A 74 -10.677 1.961 -7.736 1.00 0.00 N ATOM 1111 CZ ARG A 74 -10.576 3.246 -7.369 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -11.293 4.183 -8.005 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -9.759 3.594 -6.366 1.00 0.00 N ATOM 0 H ARG A 74 -9.171 -1.390 -7.370 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.302 -1.882 -10.283 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.067 0.809 -8.886 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.364 0.517 -10.589 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.592 -0.159 -10.234 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.294 -0.650 -8.578 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.549 2.191 -9.651 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.578 1.398 -8.475 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.117 1.274 -7.231 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.916 3.918 -8.768 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.216 5.161 -7.726 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.214 2.881 -5.882 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.682 4.572 -6.087 1.00 0.00 H new ATOM 1127 N LYS A 75 -6.799 -2.310 -9.726 1.00 0.00 N ATOM 1128 CA LYS A 75 -5.349 -2.364 -9.787 1.00 0.00 C ATOM 1129 C LYS A 75 -4.837 -1.229 -10.676 1.00 0.00 C ATOM 1130 O LYS A 75 -3.630 -1.021 -10.790 1.00 0.00 O ATOM 1131 CB LYS A 75 -4.883 -3.752 -10.232 1.00 0.00 C ATOM 1132 CG LYS A 75 -4.339 -3.715 -11.662 1.00 0.00 C ATOM 1133 CD LYS A 75 -4.163 -5.130 -12.218 1.00 0.00 C ATOM 1134 CE LYS A 75 -3.380 -5.108 -13.532 1.00 0.00 C ATOM 1135 NZ LYS A 75 -1.926 -5.198 -13.272 1.00 0.00 N ATOM 1136 OXT LYS A 75 -5.780 -0.525 -11.284 1.00 0.00 O ATOM 0 H LYS A 75 -7.266 -3.203 -9.881 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.920 -2.211 -8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.110 -4.115 -9.554 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.714 -4.455 -10.173 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.020 -3.152 -12.300 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.383 -3.193 -11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.640 -5.749 -11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.140 -5.585 -12.380 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.694 -5.939 -14.163 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.601 -4.191 -14.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.410 -5.182 -14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.627 -4.391 -12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.717 -6.085 -12.770 1.00 0.00 H new TER 1150 LYS A 75 HETATM 1151 CE CE A 76 3.527 -0.588 7.750 1.00 0.00 CE HETATM 1152 CE CE A 77 -5.565 5.710 6.207 1.00 0.00 CE