USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 778 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 85 SER OG : rot 98:sc= 1.18 USER MOD Set 1.2: A 89 TYR OH : rot 69:sc= 1.22 USER MOD Set 2.1: A 44 LYS NZ :NH3+ -176:sc= 2.36 (180deg=1.13) USER MOD Set 2.2: A 81 TYR OH : rot -30:sc= 0.799 USER MOD Set 3.1: A 63 GLN : amide:sc= -3.35! C(o=-8.8!,f=-12!) USER MOD Set 3.2: A 84 ASN : amide:sc= -5.49! C(o=-8.8!,f=-16!) USER MOD Set 4.1: A 23 ASN : amide:sc= -0.954 K(o=2.9,f=1.2) USER MOD Set 4.2: A 59 TYR OH : rot 22:sc= 1.49 USER MOD Set 4.3: A 95 LYS NZ :NH3+ -159:sc= 2.32 (180deg=0.817) USER MOD Set 5.1: A 25 ASN : amide:sc= -3.03! C(o=-8.8!,f=-13!) USER MOD Set 5.2: A 49 HIS : +bothHN:sc= -5.75! C(o=-8.8!,f=-12!) USER MOD Set 6.1: A 37 LYS NZ :NH3+ 176:sc= 2.3 (180deg=0.971) USER MOD Set 6.2: A 78 ASN : amide:sc= 0.288 K(o=2.6,f=-14!) USER MOD Set 7.1: A 5 TYR OH : rot -179:sc= -0.303 USER MOD Set 7.2: A 8 GLN : amide:sc= 1.57 K(o=1.3,f=-6.1!) USER MOD Set 7.3: A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.625 K(o=0.63,f=-0.0017) USER MOD Single : A 7 GLN : amide:sc= -0.0619 X(o=-0.062,f=0) USER MOD Single : A 13 CYS SG : rot 160:sc= -0.922 USER MOD Single : A 18 SER OG : rot 160:sc= -2.83! USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -86:sc= 1.09 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -90:sc= 0.449 USER MOD Single : A 34 SER OG : rot -170:sc= 0.846 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 169:sc= -0.988 (180deg=-1.27) USER MOD Single : A 48 LYS NZ :NH3+ -116:sc= -1.46! (180deg=-2.94!) USER MOD Single : A 50 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 66 SER OG : rot 170:sc= -0.397 USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= -0.0196 (180deg=-0.193) USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 0.934 (180deg=0.13) USER MOD Single : A 76 ASN : amide:sc= -1.96! C(o=-2!,f=-7.7!) USER MOD Single : A 83 MET CE :methyl -163:sc= -0.13 (180deg=-0.723) USER MOD Single : A 86 THR OG1 : rot -107:sc= 0.57 USER MOD Single : A 88 ASN : amide:sc= -0.392 K(o=-0.39,f=-1.7) USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.03) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.289 -27.594 13.385 1.00 0.00 N ATOM 2 CA ALA A 1 4.816 -27.817 13.347 1.00 0.00 C ATOM 3 C ALA A 1 4.289 -27.815 11.911 1.00 0.00 C ATOM 4 O ALA A 1 3.663 -28.782 11.473 1.00 0.00 O ATOM 5 CB ALA A 1 4.096 -26.764 14.182 1.00 0.00 C ATOM 0 H1 ALA A 1 6.616 -27.601 14.372 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.768 -28.351 12.856 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.512 -26.675 12.953 1.00 0.00 H new ATOM 0 HA ALA A 1 4.616 -28.800 13.774 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.021 -26.941 14.143 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.437 -26.824 15.216 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.315 -25.773 13.785 1.00 0.00 H new ATOM 13 N LEU A 2 4.544 -26.728 11.180 1.00 0.00 N ATOM 14 CA LEU A 2 4.094 -26.607 9.793 1.00 0.00 C ATOM 15 C LEU A 2 5.181 -25.983 8.913 1.00 0.00 C ATOM 16 O LEU A 2 6.062 -25.277 9.408 1.00 0.00 O ATOM 17 CB LEU A 2 2.813 -25.767 9.724 1.00 0.00 C ATOM 18 CG LEU A 2 2.936 -24.338 10.263 1.00 0.00 C ATOM 19 CD1 LEU A 2 2.524 -23.328 9.204 1.00 0.00 C ATOM 20 CD2 LEU A 2 2.093 -24.168 11.518 1.00 0.00 C ATOM 0 H LEU A 2 5.060 -25.919 11.526 1.00 0.00 H new ATOM 0 HA LEU A 2 3.885 -27.608 9.416 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.486 -25.719 8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.030 -26.282 10.281 1.00 0.00 H new ATOM 0 HG LEU A 2 3.980 -24.158 10.521 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.619 -22.320 9.607 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.169 -23.432 8.331 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.489 -23.507 8.914 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.192 -23.147 11.887 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.048 -24.369 11.284 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.434 -24.865 12.283 1.00 0.00 H new ATOM 32 N PRO A 3 5.131 -26.239 7.589 1.00 0.00 N ATOM 33 CA PRO A 3 6.108 -25.702 6.641 1.00 0.00 C ATOM 34 C PRO A 3 5.759 -24.286 6.173 1.00 0.00 C ATOM 35 O PRO A 3 4.792 -23.686 6.646 1.00 0.00 O ATOM 36 CB PRO A 3 6.030 -26.691 5.478 1.00 0.00 C ATOM 37 CG PRO A 3 4.623 -27.197 5.493 1.00 0.00 C ATOM 38 CD PRO A 3 4.113 -27.069 6.914 1.00 0.00 C ATOM 0 HA PRO A 3 7.101 -25.608 7.080 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.265 -26.205 4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.744 -27.505 5.604 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.000 -26.621 4.808 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.584 -28.235 5.163 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.131 -26.598 6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.013 -28.044 7.391 1.00 0.00 H new ATOM 46 N LEU A 4 6.555 -23.760 5.239 1.00 0.00 N ATOM 47 CA LEU A 4 6.330 -22.416 4.703 1.00 0.00 C ATOM 48 C LEU A 4 4.997 -22.337 3.952 1.00 0.00 C ATOM 49 O LEU A 4 4.388 -23.364 3.640 1.00 0.00 O ATOM 50 CB LEU A 4 7.482 -22.007 3.776 1.00 0.00 C ATOM 51 CG LEU A 4 7.714 -22.928 2.571 1.00 0.00 C ATOM 52 CD1 LEU A 4 7.304 -22.235 1.280 1.00 0.00 C ATOM 53 CD2 LEU A 4 9.172 -23.358 2.502 1.00 0.00 C ATOM 0 H LEU A 4 7.359 -24.243 4.839 1.00 0.00 H new ATOM 0 HA LEU A 4 6.290 -21.724 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.291 -20.998 3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.400 -21.965 4.362 1.00 0.00 H new ATOM 0 HG LEU A 4 7.096 -23.817 2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.476 -22.904 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.247 -21.975 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.895 -21.329 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.318 -24.011 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.807 -22.478 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.437 -23.894 3.413 1.00 0.00 H new ATOM 65 N TYR A 5 4.550 -21.110 3.670 1.00 0.00 N ATOM 66 CA TYR A 5 3.287 -20.889 2.961 1.00 0.00 C ATOM 67 C TYR A 5 3.227 -21.692 1.659 1.00 0.00 C ATOM 68 O TYR A 5 3.914 -21.372 0.686 1.00 0.00 O ATOM 69 CB TYR A 5 3.095 -19.397 2.667 1.00 0.00 C ATOM 70 CG TYR A 5 1.682 -19.032 2.264 1.00 0.00 C ATOM 71 CD1 TYR A 5 1.266 -19.143 0.943 1.00 0.00 C ATOM 72 CD2 TYR A 5 0.767 -18.577 3.205 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.023 -18.810 0.572 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.524 -18.243 2.841 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.914 -18.361 1.522 1.00 0.00 C ATOM 76 OH TYR A 5 -2.199 -18.028 1.150 1.00 0.00 O ATOM 0 H TYR A 5 5.044 -20.254 3.922 1.00 0.00 H new ATOM 0 HA TYR A 5 2.480 -21.234 3.607 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.370 -18.823 3.552 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.778 -19.102 1.870 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.961 -19.495 0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.069 -18.483 4.238 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.331 -18.901 -0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.224 -17.892 3.585 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.696 -17.715 1.935 1.00 0.00 H new ATOM 86 N ASN A 6 2.396 -22.733 1.655 1.00 0.00 N ATOM 87 CA ASN A 6 2.230 -23.590 0.482 1.00 0.00 C ATOM 88 C ASN A 6 0.751 -23.724 0.117 1.00 0.00 C ATOM 89 O ASN A 6 0.338 -23.344 -0.979 1.00 0.00 O ATOM 90 CB ASN A 6 2.836 -24.973 0.742 1.00 0.00 C ATOM 91 CG ASN A 6 4.294 -25.057 0.332 1.00 0.00 C ATOM 92 OD1 ASN A 6 4.610 -25.418 -0.800 1.00 0.00 O ATOM 93 ND2 ASN A 6 5.191 -24.726 1.251 1.00 0.00 N ATOM 0 H ASN A 6 1.825 -23.004 2.455 1.00 0.00 H new ATOM 0 HA ASN A 6 2.753 -23.128 -0.355 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.746 -25.212 1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.265 -25.724 0.196 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.186 -24.766 1.030 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.886 -24.432 2.179 1.00 0.00 H new ATOM 100 N GLN A 7 -0.039 -24.262 1.048 1.00 0.00 N ATOM 101 CA GLN A 7 -1.473 -24.444 0.832 1.00 0.00 C ATOM 102 C GLN A 7 -2.274 -23.761 1.940 1.00 0.00 C ATOM 103 O GLN A 7 -2.334 -24.253 3.070 1.00 0.00 O ATOM 104 CB GLN A 7 -1.821 -25.936 0.773 1.00 0.00 C ATOM 105 CG GLN A 7 -1.130 -26.680 -0.360 1.00 0.00 C ATOM 106 CD GLN A 7 -0.463 -27.963 0.101 1.00 0.00 C ATOM 107 OE1 GLN A 7 -0.877 -29.059 -0.273 1.00 0.00 O ATOM 108 NE2 GLN A 7 0.576 -27.836 0.919 1.00 0.00 N ATOM 0 H GLN A 7 0.292 -24.579 1.959 1.00 0.00 H new ATOM 0 HA GLN A 7 -1.736 -23.985 -0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -1.549 -26.401 1.721 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.900 -26.044 0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.861 -26.913 -1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.382 -26.029 -0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 7 0.889 -26.909 1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.061 -28.666 1.260 1.00 0.00 H new ATOM 117 N GLN A 8 -2.883 -22.623 1.611 1.00 0.00 N ATOM 118 CA GLN A 8 -3.677 -21.866 2.578 1.00 0.00 C ATOM 119 C GLN A 8 -5.080 -21.588 2.036 1.00 0.00 C ATOM 120 O GLN A 8 -5.241 -20.892 1.032 1.00 0.00 O ATOM 121 CB GLN A 8 -2.976 -20.549 2.924 1.00 0.00 C ATOM 122 CG GLN A 8 -3.567 -19.836 4.130 1.00 0.00 C ATOM 123 CD GLN A 8 -4.294 -18.558 3.755 1.00 0.00 C ATOM 124 OE1 GLN A 8 -3.677 -17.507 3.577 1.00 0.00 O ATOM 125 NE2 GLN A 8 -5.614 -18.639 3.628 1.00 0.00 N ATOM 0 H GLN A 8 -2.842 -22.205 0.682 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.773 -22.466 3.483 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.921 -20.749 3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.025 -19.885 2.061 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.258 -20.506 4.641 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.770 -19.602 4.836 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.088 -19.529 3.784 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.154 -17.811 3.374 1.00 0.00 H new ATOM 134 N VAL A 9 -6.091 -22.137 2.709 1.00 0.00 N ATOM 135 CA VAL A 9 -7.482 -21.953 2.300 1.00 0.00 C ATOM 136 C VAL A 9 -8.388 -21.763 3.520 1.00 0.00 C ATOM 137 O VAL A 9 -8.683 -22.722 4.238 1.00 0.00 O ATOM 138 CB VAL A 9 -7.993 -23.155 1.472 1.00 0.00 C ATOM 139 CG1 VAL A 9 -9.393 -22.889 0.939 1.00 0.00 C ATOM 140 CG2 VAL A 9 -7.038 -23.471 0.329 1.00 0.00 C ATOM 0 H VAL A 9 -5.972 -22.714 3.542 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.516 -21.058 1.679 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.037 -24.022 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.731 -23.748 0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.074 -22.723 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.378 -22.005 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.419 -24.320 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.955 -22.604 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.056 -23.716 0.733 1.00 0.00 H new ATOM 150 N GLY A 10 -8.823 -20.524 3.751 1.00 0.00 N ATOM 151 CA GLY A 10 -9.687 -20.238 4.887 1.00 0.00 C ATOM 152 C GLY A 10 -10.253 -18.829 4.859 1.00 0.00 C ATOM 153 O GLY A 10 -10.713 -18.359 3.817 1.00 0.00 O ATOM 0 H GLY A 10 -8.593 -19.715 3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.509 -20.954 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.124 -20.380 5.810 1.00 0.00 H new ATOM 157 N ASP A 11 -10.220 -18.155 6.009 1.00 0.00 N ATOM 158 CA ASP A 11 -10.734 -16.791 6.121 1.00 0.00 C ATOM 159 C ASP A 11 -9.591 -15.777 6.235 1.00 0.00 C ATOM 160 O ASP A 11 -9.613 -14.888 7.091 1.00 0.00 O ATOM 161 CB ASP A 11 -11.673 -16.684 7.331 1.00 0.00 C ATOM 162 CG ASP A 11 -13.121 -16.944 6.966 1.00 0.00 C ATOM 163 OD1 ASP A 11 -13.435 -18.078 6.549 1.00 0.00 O ATOM 164 OD2 ASP A 11 -13.941 -16.010 7.097 1.00 0.00 O ATOM 0 H ASP A 11 -9.842 -18.533 6.878 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.294 -16.559 5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.360 -17.397 8.094 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.585 -15.690 7.769 1.00 0.00 H new ATOM 169 N CYS A 12 -8.592 -15.917 5.361 1.00 0.00 N ATOM 170 CA CYS A 12 -7.438 -15.020 5.357 1.00 0.00 C ATOM 171 C CYS A 12 -6.577 -15.231 4.105 1.00 0.00 C ATOM 172 O CYS A 12 -6.801 -16.166 3.334 1.00 0.00 O ATOM 173 CB CYS A 12 -6.594 -15.239 6.615 1.00 0.00 C ATOM 174 SG CYS A 12 -5.923 -16.910 6.780 1.00 0.00 S ATOM 0 H CYS A 12 -8.560 -16.644 4.647 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.808 -13.995 5.347 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.768 -14.527 6.613 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.204 -15.017 7.491 1.00 0.00 H new ATOM 0 HG CYS A 12 -5.224 -16.991 7.873 1.00 0.00 H new ATOM 180 N CYS A 13 -5.593 -14.353 3.915 1.00 0.00 N ATOM 181 CA CYS A 13 -4.689 -14.429 2.764 1.00 0.00 C ATOM 182 C CYS A 13 -3.368 -13.699 3.054 1.00 0.00 C ATOM 183 O CYS A 13 -3.072 -13.369 4.204 1.00 0.00 O ATOM 184 CB CYS A 13 -5.373 -13.837 1.525 1.00 0.00 C ATOM 185 SG CYS A 13 -5.236 -14.870 0.047 1.00 0.00 S ATOM 0 H CYS A 13 -5.399 -13.576 4.547 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.456 -15.476 2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.428 -13.676 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.939 -12.860 1.315 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.161 -14.536 -0.803 1.00 0.00 H new ATOM 191 N ILE A 14 -2.579 -13.443 2.004 1.00 0.00 N ATOM 192 CA ILE A 14 -1.299 -12.742 2.149 1.00 0.00 C ATOM 193 C ILE A 14 -1.171 -11.629 1.119 1.00 0.00 C ATOM 194 O ILE A 14 -1.855 -11.639 0.096 1.00 0.00 O ATOM 195 CB ILE A 14 -0.076 -13.683 2.020 1.00 0.00 C ATOM 196 CG1 ILE A 14 -0.492 -15.105 1.630 1.00 0.00 C ATOM 197 CG2 ILE A 14 0.715 -13.699 3.319 1.00 0.00 C ATOM 198 CD1 ILE A 14 -0.604 -15.310 0.133 1.00 0.00 C ATOM 0 H ILE A 14 -2.805 -13.711 1.046 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.300 -12.326 3.157 1.00 0.00 H new ATOM 0 HB ILE A 14 0.557 -13.296 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.234 -15.811 2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.451 -15.335 2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.572 -14.364 3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.063 -12.691 3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.077 -14.053 4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.902 -16.338 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.351 -14.628 -0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.360 -15.112 -0.335 1.00 0.00 H new ATOM 210 N ILE A 15 -0.303 -10.660 1.402 1.00 0.00 N ATOM 211 CA ILE A 15 -0.106 -9.527 0.503 1.00 0.00 C ATOM 212 C ILE A 15 1.280 -8.911 0.641 1.00 0.00 C ATOM 213 O ILE A 15 1.810 -8.798 1.741 1.00 0.00 O ATOM 214 CB ILE A 15 -1.163 -8.433 0.786 1.00 0.00 C ATOM 215 CG1 ILE A 15 -2.430 -8.691 -0.023 1.00 0.00 C ATOM 216 CG2 ILE A 15 -0.624 -7.042 0.486 1.00 0.00 C ATOM 217 CD1 ILE A 15 -3.479 -7.619 0.149 1.00 0.00 C ATOM 0 H ILE A 15 0.273 -10.637 2.244 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.211 -9.910 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.404 -8.477 1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.169 -8.768 -1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.851 -9.652 0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.394 -6.300 0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.248 -6.847 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.339 -6.981 -0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.353 -7.865 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.768 -7.557 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.075 -6.659 -0.173 1.00 0.00 H new ATOM 229 N ARG A 16 1.829 -8.465 -0.485 1.00 0.00 N ATOM 230 CA ARG A 16 3.123 -7.796 -0.505 1.00 0.00 C ATOM 231 C ARG A 16 2.905 -6.345 -0.933 1.00 0.00 C ATOM 232 O ARG A 16 2.840 -6.035 -2.123 1.00 0.00 O ATOM 233 CB ARG A 16 4.098 -8.524 -1.437 1.00 0.00 C ATOM 234 CG ARG A 16 5.532 -8.027 -1.337 1.00 0.00 C ATOM 235 CD ARG A 16 6.531 -9.171 -1.431 1.00 0.00 C ATOM 236 NE ARG A 16 6.507 -9.817 -2.746 1.00 0.00 N ATOM 237 CZ ARG A 16 7.032 -9.287 -3.853 1.00 0.00 C ATOM 238 NH1 ARG A 16 7.633 -8.104 -3.818 1.00 0.00 N ATOM 239 NH2 ARG A 16 6.953 -9.945 -5.000 1.00 0.00 N ATOM 0 H ARG A 16 1.392 -8.557 -1.402 1.00 0.00 H new ATOM 0 HA ARG A 16 3.571 -7.813 0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.076 -9.590 -1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.755 -8.411 -2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.725 -7.309 -2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.670 -7.500 -0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.534 -8.793 -1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.309 -9.910 -0.661 1.00 0.00 H new ATOM 0 HE ARG A 16 6.060 -10.731 -2.820 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.697 -7.590 -2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.031 -7.709 -4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.492 -10.854 -5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.353 -9.542 -5.847 1.00 0.00 H new ATOM 253 N VAL A 17 2.734 -5.474 0.063 1.00 0.00 N ATOM 254 CA VAL A 17 2.457 -4.054 -0.168 1.00 0.00 C ATOM 255 C VAL A 17 3.730 -3.213 -0.336 1.00 0.00 C ATOM 256 O VAL A 17 4.798 -3.562 0.172 1.00 0.00 O ATOM 257 CB VAL A 17 1.633 -3.455 1.002 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.376 -3.589 2.325 1.00 0.00 C ATOM 259 CG2 VAL A 17 1.289 -1.995 0.738 1.00 0.00 C ATOM 0 H VAL A 17 2.783 -5.731 1.049 1.00 0.00 H new ATOM 0 HA VAL A 17 1.892 -4.013 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 17 0.705 -4.022 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.773 -3.160 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.560 -4.643 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.327 -3.060 2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.711 -1.600 1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.208 -1.419 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.701 -1.919 -0.177 1.00 0.00 H new ATOM 269 N SER A 18 3.580 -2.081 -1.026 1.00 0.00 N ATOM 270 CA SER A 18 4.676 -1.137 -1.253 1.00 0.00 C ATOM 271 C SER A 18 4.164 0.299 -1.073 1.00 0.00 C ATOM 272 O SER A 18 2.991 0.504 -0.768 1.00 0.00 O ATOM 273 CB SER A 18 5.271 -1.332 -2.655 1.00 0.00 C ATOM 274 OG SER A 18 4.852 -0.315 -3.551 1.00 0.00 O ATOM 0 H SER A 18 2.695 -1.793 -1.443 1.00 0.00 H new ATOM 0 HA SER A 18 5.465 -1.323 -0.525 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.359 -1.334 -2.591 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.972 -2.305 -3.044 1.00 0.00 H new ATOM 0 HG SER A 18 5.471 -0.272 -4.309 1.00 0.00 H new ATOM 280 N LEU A 19 5.036 1.289 -1.263 1.00 0.00 N ATOM 281 CA LEU A 19 4.640 2.690 -1.121 1.00 0.00 C ATOM 282 C LEU A 19 5.450 3.587 -2.058 1.00 0.00 C ATOM 283 O LEU A 19 6.675 3.467 -2.137 1.00 0.00 O ATOM 284 CB LEU A 19 4.812 3.146 0.328 1.00 0.00 C ATOM 285 CG LEU A 19 3.617 2.851 1.235 1.00 0.00 C ATOM 286 CD1 LEU A 19 4.030 1.958 2.394 1.00 0.00 C ATOM 287 CD2 LEU A 19 3.003 4.146 1.745 1.00 0.00 C ATOM 0 H LEU A 19 6.015 1.149 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 19 3.588 2.774 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.696 2.662 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.002 4.219 0.337 1.00 0.00 H new ATOM 0 HG LEU A 19 2.864 2.322 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.165 1.760 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.419 1.016 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.802 2.456 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.154 3.917 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.748 4.704 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.666 4.746 0.900 1.00 0.00 H new ATOM 299 N ASP A 20 4.760 4.480 -2.771 1.00 0.00 N ATOM 300 CA ASP A 20 5.425 5.386 -3.708 1.00 0.00 C ATOM 301 C ASP A 20 4.596 6.648 -3.968 1.00 0.00 C ATOM 302 O ASP A 20 4.038 6.828 -5.054 1.00 0.00 O ATOM 303 CB ASP A 20 5.705 4.653 -5.024 1.00 0.00 C ATOM 304 CG ASP A 20 6.485 5.496 -6.015 1.00 0.00 C ATOM 305 OD1 ASP A 20 7.631 5.882 -5.696 1.00 0.00 O ATOM 306 OD2 ASP A 20 5.950 5.769 -7.110 1.00 0.00 O ATOM 0 H ASP A 20 3.748 4.594 -2.718 1.00 0.00 H new ATOM 0 HA ASP A 20 6.366 5.703 -3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.262 3.740 -4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.759 4.353 -5.475 1.00 0.00 H new ATOM 311 N VAL A 21 4.534 7.527 -2.969 1.00 0.00 N ATOM 312 CA VAL A 21 3.792 8.787 -3.083 1.00 0.00 C ATOM 313 C VAL A 21 4.398 9.854 -2.171 1.00 0.00 C ATOM 314 O VAL A 21 5.169 10.701 -2.623 1.00 0.00 O ATOM 315 CB VAL A 21 2.289 8.610 -2.758 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.551 9.937 -2.866 1.00 0.00 C ATOM 317 CG2 VAL A 21 1.657 7.583 -3.681 1.00 0.00 C ATOM 0 H VAL A 21 4.990 7.391 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 21 3.873 9.110 -4.121 1.00 0.00 H new ATOM 0 HB VAL A 21 2.208 8.252 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.497 9.787 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.980 10.650 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.647 10.325 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.601 7.474 -3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.757 7.913 -4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.159 6.624 -3.556 1.00 0.00 H new ATOM 327 N ASP A 22 4.056 9.796 -0.885 1.00 0.00 N ATOM 328 CA ASP A 22 4.574 10.743 0.100 1.00 0.00 C ATOM 329 C ASP A 22 5.563 10.061 1.050 1.00 0.00 C ATOM 330 O ASP A 22 6.302 10.731 1.773 1.00 0.00 O ATOM 331 CB ASP A 22 3.423 11.361 0.899 1.00 0.00 C ATOM 332 CG ASP A 22 2.544 12.261 0.053 1.00 0.00 C ATOM 333 OD1 ASP A 22 2.958 13.404 -0.225 1.00 0.00 O ATOM 334 OD2 ASP A 22 1.438 11.821 -0.326 1.00 0.00 O ATOM 0 H ASP A 22 3.419 9.099 -0.500 1.00 0.00 H new ATOM 0 HA ASP A 22 5.101 11.533 -0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.815 10.565 1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.830 11.935 1.731 1.00 0.00 H new ATOM 339 N ASN A 23 5.568 8.725 1.042 1.00 0.00 N ATOM 340 CA ASN A 23 6.457 7.947 1.897 1.00 0.00 C ATOM 341 C ASN A 23 7.097 6.804 1.107 1.00 0.00 C ATOM 342 O ASN A 23 6.551 5.700 1.038 1.00 0.00 O ATOM 343 CB ASN A 23 5.682 7.391 3.099 1.00 0.00 C ATOM 344 CG ASN A 23 4.803 8.433 3.771 1.00 0.00 C ATOM 345 OD1 ASN A 23 3.719 8.756 3.281 1.00 0.00 O ATOM 346 ND2 ASN A 23 5.258 8.968 4.900 1.00 0.00 N ATOM 0 H ASN A 23 4.961 8.161 0.448 1.00 0.00 H new ATOM 0 HA ASN A 23 7.249 8.602 2.260 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.061 6.557 2.770 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.389 6.994 3.828 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.705 9.671 5.391 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.160 8.676 5.276 1.00 0.00 H new ATOM 353 N GLY A 24 8.254 7.080 0.503 1.00 0.00 N ATOM 354 CA GLY A 24 8.953 6.073 -0.284 1.00 0.00 C ATOM 355 C GLY A 24 9.542 4.969 0.574 1.00 0.00 C ATOM 356 O GLY A 24 10.701 5.046 0.983 1.00 0.00 O ATOM 0 H GLY A 24 8.721 7.986 0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.263 5.638 -1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.750 6.551 -0.853 1.00 0.00 H new ATOM 360 N ASN A 25 8.738 3.943 0.850 1.00 0.00 N ATOM 361 CA ASN A 25 9.179 2.817 1.670 1.00 0.00 C ATOM 362 C ASN A 25 9.423 1.566 0.824 1.00 0.00 C ATOM 363 O ASN A 25 8.953 1.467 -0.312 1.00 0.00 O ATOM 364 CB ASN A 25 8.145 2.521 2.759 1.00 0.00 C ATOM 365 CG ASN A 25 8.698 2.738 4.155 1.00 0.00 C ATOM 366 OD1 ASN A 25 9.048 1.783 4.849 1.00 0.00 O ATOM 367 ND2 ASN A 25 8.784 3.995 4.575 1.00 0.00 N ATOM 0 H ASN A 25 7.777 3.869 0.517 1.00 0.00 H new ATOM 0 HA ASN A 25 10.125 3.095 2.136 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.274 3.160 2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.804 1.490 2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.151 4.198 5.505 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.483 4.757 3.968 1.00 0.00 H new ATOM 374 N MET A 26 10.158 0.611 1.393 1.00 0.00 N ATOM 375 CA MET A 26 10.467 -0.642 0.702 1.00 0.00 C ATOM 376 C MET A 26 9.282 -1.608 0.759 1.00 0.00 C ATOM 377 O MET A 26 8.384 -1.454 1.588 1.00 0.00 O ATOM 378 CB MET A 26 11.712 -1.293 1.322 1.00 0.00 C ATOM 379 CG MET A 26 12.973 -1.107 0.492 1.00 0.00 C ATOM 380 SD MET A 26 12.983 -2.125 -0.997 1.00 0.00 S ATOM 381 CE MET A 26 13.709 -3.637 -0.370 1.00 0.00 C ATOM 0 H MET A 26 10.551 0.681 2.332 1.00 0.00 H new ATOM 0 HA MET A 26 10.668 -0.413 -0.345 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.875 -0.873 2.315 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.527 -2.359 1.453 1.00 0.00 H new ATOM 0 HG2 MET A 26 13.066 -0.058 0.211 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.843 -1.352 1.101 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.782 -4.367 -1.176 1.00 0.00 H new ATOM 0 HE2 MET A 26 14.705 -3.428 0.021 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.083 -4.038 0.427 1.00 0.00 H new ATOM 391 N TYR A 27 9.285 -2.604 -0.129 1.00 0.00 N ATOM 392 CA TYR A 27 8.207 -3.595 -0.183 1.00 0.00 C ATOM 393 C TYR A 27 8.118 -4.386 1.124 1.00 0.00 C ATOM 394 O TYR A 27 9.138 -4.771 1.698 1.00 0.00 O ATOM 395 CB TYR A 27 8.421 -4.560 -1.354 1.00 0.00 C ATOM 396 CG TYR A 27 7.437 -4.378 -2.489 1.00 0.00 C ATOM 397 CD1 TYR A 27 6.092 -4.686 -2.326 1.00 0.00 C ATOM 398 CD2 TYR A 27 7.856 -3.904 -3.725 1.00 0.00 C ATOM 399 CE1 TYR A 27 5.194 -4.523 -3.364 1.00 0.00 C ATOM 400 CE2 TYR A 27 6.963 -3.740 -4.767 1.00 0.00 C ATOM 401 CZ TYR A 27 5.634 -4.052 -4.581 1.00 0.00 C ATOM 402 OH TYR A 27 4.743 -3.892 -5.616 1.00 0.00 O ATOM 0 H TYR A 27 10.021 -2.746 -0.820 1.00 0.00 H new ATOM 0 HA TYR A 27 7.271 -3.056 -0.328 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.432 -4.429 -1.739 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.350 -5.583 -0.986 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.743 -5.058 -1.374 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.897 -3.659 -3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.151 -4.764 -3.221 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.305 -3.369 -5.722 1.00 0.00 H new ATOM 0 HH TYR A 27 4.644 -4.740 -6.096 1.00 0.00 H new ATOM 412 N LYS A 28 6.889 -4.631 1.579 1.00 0.00 N ATOM 413 CA LYS A 28 6.653 -5.385 2.813 1.00 0.00 C ATOM 414 C LYS A 28 5.366 -6.202 2.698 1.00 0.00 C ATOM 415 O LYS A 28 4.370 -5.726 2.155 1.00 0.00 O ATOM 416 CB LYS A 28 6.563 -4.441 4.022 1.00 0.00 C ATOM 417 CG LYS A 28 7.832 -3.640 4.294 1.00 0.00 C ATOM 418 CD LYS A 28 8.975 -4.530 4.765 1.00 0.00 C ATOM 419 CE LYS A 28 10.329 -3.935 4.405 1.00 0.00 C ATOM 420 NZ LYS A 28 10.723 -2.833 5.331 1.00 0.00 N ATOM 0 H LYS A 28 6.039 -4.318 1.111 1.00 0.00 H new ATOM 0 HA LYS A 28 7.495 -6.062 2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.737 -3.747 3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.322 -5.028 4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.131 -3.114 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.628 -2.881 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.911 -4.665 5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.879 -5.517 4.314 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.087 -4.718 4.431 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.298 -3.556 3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.651 -2.457 5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.014 -2.073 5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.779 -3.199 6.303 1.00 0.00 H new ATOM 434 N SER A 29 5.386 -7.434 3.203 1.00 0.00 N ATOM 435 CA SER A 29 4.209 -8.301 3.137 1.00 0.00 C ATOM 436 C SER A 29 3.372 -8.204 4.417 1.00 0.00 C ATOM 437 O SER A 29 3.906 -8.036 5.515 1.00 0.00 O ATOM 438 CB SER A 29 4.631 -9.755 2.874 1.00 0.00 C ATOM 439 OG SER A 29 4.238 -10.622 3.929 1.00 0.00 O ATOM 0 H SER A 29 6.197 -7.853 3.659 1.00 0.00 H new ATOM 0 HA SER A 29 3.587 -7.962 2.309 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.188 -10.098 1.939 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.713 -9.802 2.750 1.00 0.00 H new ATOM 0 HG SER A 29 4.523 -11.537 3.724 1.00 0.00 H new ATOM 445 N ILE A 30 2.054 -8.320 4.253 1.00 0.00 N ATOM 446 CA ILE A 30 1.116 -8.257 5.372 1.00 0.00 C ATOM 447 C ILE A 30 0.022 -9.313 5.213 1.00 0.00 C ATOM 448 O ILE A 30 -0.347 -9.672 4.092 1.00 0.00 O ATOM 449 CB ILE A 30 0.441 -6.866 5.502 1.00 0.00 C ATOM 450 CG1 ILE A 30 1.184 -5.790 4.693 1.00 0.00 C ATOM 451 CG2 ILE A 30 0.345 -6.455 6.966 1.00 0.00 C ATOM 452 CD1 ILE A 30 2.468 -5.310 5.337 1.00 0.00 C ATOM 0 H ILE A 30 1.609 -8.459 3.346 1.00 0.00 H new ATOM 0 HA ILE A 30 1.700 -8.444 6.273 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.564 -6.952 5.089 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.412 -6.187 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.521 -4.937 4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.131 -5.477 7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.248 -7.189 7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.345 -6.405 7.396 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.931 -4.553 4.705 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.247 -4.881 6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.152 -6.151 5.456 1.00 0.00 H new ATOM 464 N LEU A 31 -0.500 -9.804 6.337 1.00 0.00 N ATOM 465 CA LEU A 31 -1.557 -10.813 6.310 1.00 0.00 C ATOM 466 C LEU A 31 -2.896 -10.191 5.918 1.00 0.00 C ATOM 467 O LEU A 31 -3.192 -9.048 6.273 1.00 0.00 O ATOM 468 CB LEU A 31 -1.677 -11.503 7.673 1.00 0.00 C ATOM 469 CG LEU A 31 -0.588 -12.536 7.974 1.00 0.00 C ATOM 470 CD1 LEU A 31 0.111 -12.213 9.284 1.00 0.00 C ATOM 471 CD2 LEU A 31 -1.178 -13.939 8.015 1.00 0.00 C ATOM 0 H LEU A 31 -0.210 -9.521 7.273 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.290 -11.558 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.659 -10.741 8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.648 -11.994 7.730 1.00 0.00 H new ATOM 0 HG LEU A 31 0.151 -12.497 7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.881 -12.959 9.479 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.570 -11.227 9.218 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.616 -12.221 10.096 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.389 -14.659 8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.939 -13.991 8.794 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.629 -14.172 7.051 1.00 0.00 H new ATOM 483 N VAL A 32 -3.693 -10.949 5.173 1.00 0.00 N ATOM 484 CA VAL A 32 -5.001 -10.487 4.713 1.00 0.00 C ATOM 485 C VAL A 32 -6.122 -11.305 5.349 1.00 0.00 C ATOM 486 O VAL A 32 -5.921 -12.463 5.713 1.00 0.00 O ATOM 487 CB VAL A 32 -5.112 -10.587 3.176 1.00 0.00 C ATOM 488 CG1 VAL A 32 -6.461 -10.080 2.685 1.00 0.00 C ATOM 489 CG2 VAL A 32 -3.982 -9.823 2.507 1.00 0.00 C ATOM 0 H VAL A 32 -3.455 -11.894 4.872 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.102 -9.444 5.013 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.030 -11.639 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.508 -10.164 1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.258 -10.677 3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.585 -9.036 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.078 -9.906 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.031 -8.773 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.025 -10.241 2.819 1.00 0.00 H new ATOM 499 N THR A 33 -7.304 -10.703 5.475 1.00 0.00 N ATOM 500 CA THR A 33 -8.454 -11.390 6.058 1.00 0.00 C ATOM 501 C THR A 33 -9.450 -11.799 4.971 1.00 0.00 C ATOM 502 O THR A 33 -9.295 -11.430 3.805 1.00 0.00 O ATOM 503 CB THR A 33 -9.144 -10.504 7.098 1.00 0.00 C ATOM 504 OG1 THR A 33 -9.726 -9.363 6.487 1.00 0.00 O ATOM 505 CG2 THR A 33 -8.214 -10.023 8.193 1.00 0.00 C ATOM 0 H THR A 33 -7.489 -9.744 5.182 1.00 0.00 H new ATOM 0 HA THR A 33 -8.092 -12.291 6.553 1.00 0.00 H new ATOM 0 HB THR A 33 -9.908 -11.137 7.550 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.072 -8.633 6.467 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.769 -9.401 8.895 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.798 -10.882 8.720 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.405 -9.440 7.753 1.00 0.00 H new ATOM 513 N SER A 34 -10.470 -12.566 5.361 1.00 0.00 N ATOM 514 CA SER A 34 -11.493 -13.036 4.422 1.00 0.00 C ATOM 515 C SER A 34 -12.149 -11.874 3.675 1.00 0.00 C ATOM 516 O SER A 34 -12.432 -11.980 2.481 1.00 0.00 O ATOM 517 CB SER A 34 -12.570 -13.847 5.155 1.00 0.00 C ATOM 518 OG SER A 34 -12.430 -13.742 6.563 1.00 0.00 O ATOM 0 H SER A 34 -10.611 -12.876 6.323 1.00 0.00 H new ATOM 0 HA SER A 34 -10.992 -13.674 3.694 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.558 -13.494 4.859 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.504 -14.894 4.859 1.00 0.00 H new ATOM 0 HG SER A 34 -13.023 -14.388 7.000 1.00 0.00 H new ATOM 524 N GLN A 35 -12.396 -10.770 4.381 1.00 0.00 N ATOM 525 CA GLN A 35 -13.024 -9.600 3.775 1.00 0.00 C ATOM 526 C GLN A 35 -12.405 -8.303 4.296 1.00 0.00 C ATOM 527 O GLN A 35 -13.077 -7.495 4.943 1.00 0.00 O ATOM 528 CB GLN A 35 -14.532 -9.614 4.044 1.00 0.00 C ATOM 529 CG GLN A 35 -15.331 -10.379 3.001 1.00 0.00 C ATOM 530 CD GLN A 35 -16.827 -10.158 3.131 1.00 0.00 C ATOM 531 OE1 GLN A 35 -17.447 -9.534 2.271 1.00 0.00 O ATOM 532 NE2 GLN A 35 -17.419 -10.664 4.209 1.00 0.00 N ATOM 0 H GLN A 35 -12.171 -10.663 5.370 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.852 -9.644 2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.713 -10.056 5.024 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.894 -8.587 4.085 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.008 -10.074 2.006 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.116 -11.444 3.093 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.870 -11.176 4.900 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.422 -10.541 4.345 1.00 0.00 H new ATOM 541 N ASP A 36 -11.120 -8.104 4.004 1.00 0.00 N ATOM 542 CA ASP A 36 -10.413 -6.898 4.437 1.00 0.00 C ATOM 543 C ASP A 36 -11.005 -5.652 3.777 1.00 0.00 C ATOM 544 O ASP A 36 -11.704 -5.745 2.765 1.00 0.00 O ATOM 545 CB ASP A 36 -8.925 -7.004 4.107 1.00 0.00 C ATOM 546 CG ASP A 36 -8.044 -6.376 5.167 1.00 0.00 C ATOM 547 OD1 ASP A 36 -7.951 -6.948 6.274 1.00 0.00 O ATOM 548 OD2 ASP A 36 -7.445 -5.315 4.890 1.00 0.00 O ATOM 0 H ASP A 36 -10.548 -8.760 3.471 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.532 -6.808 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.656 -8.054 3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.734 -6.520 3.149 1.00 0.00 H new ATOM 553 N LYS A 37 -10.726 -4.487 4.358 1.00 0.00 N ATOM 554 CA LYS A 37 -11.240 -3.225 3.826 1.00 0.00 C ATOM 555 C LYS A 37 -10.148 -2.156 3.769 1.00 0.00 C ATOM 556 O LYS A 37 -9.125 -2.268 4.446 1.00 0.00 O ATOM 557 CB LYS A 37 -12.418 -2.729 4.672 1.00 0.00 C ATOM 558 CG LYS A 37 -13.485 -3.786 4.930 1.00 0.00 C ATOM 559 CD LYS A 37 -14.552 -3.786 3.846 1.00 0.00 C ATOM 560 CE LYS A 37 -14.937 -5.200 3.436 1.00 0.00 C ATOM 561 NZ LYS A 37 -14.240 -5.627 2.190 1.00 0.00 N ATOM 0 H LYS A 37 -10.149 -4.390 5.194 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.584 -3.410 2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.039 -2.369 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.879 -1.877 4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.018 -4.770 4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.951 -3.604 5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.435 -3.258 4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.187 -3.241 2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.693 -5.891 4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.015 -5.253 3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.477 -6.618 1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.544 -5.025 1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.212 -5.536 2.319 1.00 0.00 H new ATOM 575 N ALA A 38 -10.379 -1.122 2.948 1.00 0.00 N ATOM 576 CA ALA A 38 -9.426 -0.017 2.776 1.00 0.00 C ATOM 577 C ALA A 38 -8.728 0.377 4.085 1.00 0.00 C ATOM 578 O ALA A 38 -7.498 0.342 4.161 1.00 0.00 O ATOM 579 CB ALA A 38 -10.121 1.195 2.164 1.00 0.00 C ATOM 0 H ALA A 38 -11.226 -1.028 2.388 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.651 -0.374 2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.401 2.005 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.531 0.926 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.928 1.522 2.820 1.00 0.00 H new ATOM 585 N PRO A 39 -9.494 0.766 5.133 1.00 0.00 N ATOM 586 CA PRO A 39 -8.921 1.169 6.425 1.00 0.00 C ATOM 587 C PRO A 39 -7.922 0.152 6.976 1.00 0.00 C ATOM 588 O PRO A 39 -6.858 0.527 7.471 1.00 0.00 O ATOM 589 CB PRO A 39 -10.134 1.298 7.360 1.00 0.00 C ATOM 590 CG PRO A 39 -11.305 0.755 6.604 1.00 0.00 C ATOM 591 CD PRO A 39 -10.962 0.854 5.143 1.00 0.00 C ATOM 0 HA PRO A 39 -8.353 2.094 6.328 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.975 0.741 8.283 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.300 2.338 7.640 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.501 -0.279 6.886 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.208 1.323 6.829 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.417 0.048 4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.312 1.791 4.710 1.00 0.00 H new ATOM 599 N ALA A 40 -8.262 -1.132 6.874 1.00 0.00 N ATOM 600 CA ALA A 40 -7.388 -2.199 7.352 1.00 0.00 C ATOM 601 C ALA A 40 -6.179 -2.371 6.432 1.00 0.00 C ATOM 602 O ALA A 40 -5.078 -2.665 6.895 1.00 0.00 O ATOM 603 CB ALA A 40 -8.159 -3.506 7.472 1.00 0.00 C ATOM 0 H ALA A 40 -9.137 -1.458 6.464 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.023 -1.920 8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.492 -4.290 7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.981 -3.380 8.176 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.557 -3.785 6.496 1.00 0.00 H new ATOM 609 N VAL A 41 -6.392 -2.179 5.128 1.00 0.00 N ATOM 610 CA VAL A 41 -5.319 -2.305 4.141 1.00 0.00 C ATOM 611 C VAL A 41 -4.136 -1.408 4.498 1.00 0.00 C ATOM 612 O VAL A 41 -3.004 -1.881 4.624 1.00 0.00 O ATOM 613 CB VAL A 41 -5.805 -1.937 2.723 1.00 0.00 C ATOM 614 CG1 VAL A 41 -4.675 -2.075 1.716 1.00 0.00 C ATOM 615 CG2 VAL A 41 -6.997 -2.789 2.317 1.00 0.00 C ATOM 0 H VAL A 41 -7.300 -1.935 4.731 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.006 -3.349 4.153 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.126 -0.895 2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.038 -1.811 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.858 -1.409 1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.317 -3.105 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.319 -2.509 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.712 -3.841 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.815 -2.628 3.019 1.00 0.00 H new ATOM 625 N ILE A 42 -4.407 -0.111 4.656 1.00 0.00 N ATOM 626 CA ILE A 42 -3.366 0.854 4.997 1.00 0.00 C ATOM 627 C ILE A 42 -2.862 0.633 6.421 1.00 0.00 C ATOM 628 O ILE A 42 -1.657 0.678 6.670 1.00 0.00 O ATOM 629 CB ILE A 42 -3.860 2.308 4.842 1.00 0.00 C ATOM 630 CG1 ILE A 42 -4.231 2.589 3.384 1.00 0.00 C ATOM 631 CG2 ILE A 42 -2.796 3.288 5.317 1.00 0.00 C ATOM 632 CD1 ILE A 42 -5.660 3.047 3.195 1.00 0.00 C ATOM 0 H ILE A 42 -5.338 0.293 4.553 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.545 0.695 4.298 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.748 2.439 5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.560 3.351 2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.068 1.685 2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.162 4.308 5.200 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.572 3.101 6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.891 3.158 4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.848 3.226 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.340 2.277 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.824 3.969 3.753 1.00 0.00 H new ATOM 644 N ARG A 43 -3.787 0.379 7.351 1.00 0.00 N ATOM 645 CA ARG A 43 -3.421 0.134 8.744 1.00 0.00 C ATOM 646 C ARG A 43 -2.426 -1.024 8.834 1.00 0.00 C ATOM 647 O ARG A 43 -1.416 -0.932 9.532 1.00 0.00 O ATOM 648 CB ARG A 43 -4.666 -0.167 9.586 1.00 0.00 C ATOM 649 CG ARG A 43 -4.452 0.015 11.082 1.00 0.00 C ATOM 650 CD ARG A 43 -4.672 1.458 11.513 1.00 0.00 C ATOM 651 NE ARG A 43 -6.091 1.824 11.519 1.00 0.00 N ATOM 652 CZ ARG A 43 -6.557 3.006 11.922 1.00 0.00 C ATOM 653 NH1 ARG A 43 -5.727 3.946 12.359 1.00 0.00 N ATOM 654 NH2 ARG A 43 -7.858 3.250 11.884 1.00 0.00 N ATOM 0 H ARG A 43 -4.789 0.338 7.164 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.949 1.034 9.139 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.478 0.484 9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.983 -1.192 9.395 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.135 -0.636 11.629 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.440 -0.292 11.344 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.256 1.605 12.510 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.130 2.123 10.841 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.765 1.130 11.194 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.723 3.767 12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.093 4.847 12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.502 2.534 11.547 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.217 4.154 12.192 1.00 0.00 H new ATOM 668 N LYS A 44 -2.711 -2.105 8.103 1.00 0.00 N ATOM 669 CA LYS A 44 -1.833 -3.273 8.083 1.00 0.00 C ATOM 670 C LYS A 44 -0.505 -2.931 7.406 1.00 0.00 C ATOM 671 O LYS A 44 0.567 -3.290 7.900 1.00 0.00 O ATOM 672 CB LYS A 44 -2.513 -4.440 7.361 1.00 0.00 C ATOM 673 CG LYS A 44 -3.633 -5.082 8.168 1.00 0.00 C ATOM 674 CD LYS A 44 -4.108 -6.382 7.537 1.00 0.00 C ATOM 675 CE LYS A 44 -4.665 -6.162 6.137 1.00 0.00 C ATOM 676 NZ LYS A 44 -3.753 -6.701 5.088 1.00 0.00 N ATOM 0 H LYS A 44 -3.542 -2.194 7.519 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.631 -3.571 9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.916 -4.085 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.765 -5.197 7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.285 -5.276 9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.470 -4.388 8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.279 -7.088 7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.875 -6.832 8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.640 -6.643 6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.820 -5.096 5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.133 -6.473 4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.811 -6.274 5.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.678 -7.733 5.190 1.00 0.00 H new ATOM 690 N ALA A 45 -0.580 -2.214 6.278 1.00 0.00 N ATOM 691 CA ALA A 45 0.617 -1.805 5.549 1.00 0.00 C ATOM 692 C ALA A 45 1.513 -0.932 6.429 1.00 0.00 C ATOM 693 O ALA A 45 2.739 -1.011 6.348 1.00 0.00 O ATOM 694 CB ALA A 45 0.237 -1.069 4.269 1.00 0.00 C ATOM 0 H ALA A 45 -1.456 -1.908 5.855 1.00 0.00 H new ATOM 0 HA ALA A 45 1.176 -2.700 5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.141 -0.771 3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.357 -1.726 3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.346 -0.182 4.518 1.00 0.00 H new ATOM 700 N MET A 46 0.888 -0.112 7.283 1.00 0.00 N ATOM 701 CA MET A 46 1.625 0.762 8.196 1.00 0.00 C ATOM 702 C MET A 46 2.394 -0.065 9.232 1.00 0.00 C ATOM 703 O MET A 46 3.481 0.321 9.652 1.00 0.00 O ATOM 704 CB MET A 46 0.672 1.751 8.890 1.00 0.00 C ATOM 705 CG MET A 46 0.341 1.396 10.334 1.00 0.00 C ATOM 706 SD MET A 46 -1.263 2.023 10.857 1.00 0.00 S ATOM 707 CE MET A 46 -1.400 1.262 12.473 1.00 0.00 C ATOM 0 H MET A 46 -0.126 -0.038 7.359 1.00 0.00 H new ATOM 0 HA MET A 46 2.346 1.335 7.613 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.119 2.745 8.866 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.255 1.804 8.320 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.358 0.312 10.450 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.114 1.798 10.989 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.240 1.700 13.011 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.562 0.190 12.358 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.481 1.432 13.034 1.00 0.00 H new ATOM 717 N ASP A 47 1.831 -1.213 9.631 1.00 0.00 N ATOM 718 CA ASP A 47 2.492 -2.086 10.603 1.00 0.00 C ATOM 719 C ASP A 47 3.868 -2.506 10.086 1.00 0.00 C ATOM 720 O ASP A 47 4.819 -2.640 10.860 1.00 0.00 O ATOM 721 CB ASP A 47 1.632 -3.321 10.899 1.00 0.00 C ATOM 722 CG ASP A 47 0.419 -2.989 11.746 1.00 0.00 C ATOM 723 OD1 ASP A 47 0.600 -2.514 12.887 1.00 0.00 O ATOM 724 OD2 ASP A 47 -0.714 -3.204 11.266 1.00 0.00 O ATOM 0 H ASP A 47 0.929 -1.554 9.299 1.00 0.00 H new ATOM 0 HA ASP A 47 2.621 -1.531 11.532 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.305 -3.767 9.960 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.237 -4.068 11.413 1.00 0.00 H new ATOM 729 N LYS A 48 3.972 -2.677 8.768 1.00 0.00 N ATOM 730 CA LYS A 48 5.239 -3.038 8.139 1.00 0.00 C ATOM 731 C LYS A 48 6.004 -1.774 7.735 1.00 0.00 C ATOM 732 O LYS A 48 7.236 -1.765 7.710 1.00 0.00 O ATOM 733 CB LYS A 48 5.011 -3.940 6.921 1.00 0.00 C ATOM 734 CG LYS A 48 5.137 -5.426 7.234 1.00 0.00 C ATOM 735 CD LYS A 48 6.509 -5.767 7.803 1.00 0.00 C ATOM 736 CE LYS A 48 6.475 -5.889 9.322 1.00 0.00 C ATOM 737 NZ LYS A 48 7.347 -4.878 9.992 1.00 0.00 N ATOM 0 H LYS A 48 3.194 -2.571 8.117 1.00 0.00 H new ATOM 0 HA LYS A 48 5.835 -3.595 8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.018 -3.745 6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.730 -3.678 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.365 -5.714 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.965 -6.005 6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.860 -6.704 7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.224 -4.996 7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.449 -5.769 9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.795 -6.890 9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.113 -5.363 10.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.755 -4.243 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.781 -4.323 10.665 1.00 0.00 H new ATOM 751 N HIS A 49 5.257 -0.703 7.444 1.00 0.00 N ATOM 752 CA HIS A 49 5.833 0.579 7.068 1.00 0.00 C ATOM 753 C HIS A 49 5.511 1.620 8.137 1.00 0.00 C ATOM 754 O HIS A 49 4.882 2.642 7.856 1.00 0.00 O ATOM 755 CB HIS A 49 5.271 1.037 5.725 1.00 0.00 C ATOM 756 CG HIS A 49 5.471 0.060 4.616 1.00 0.00 C ATOM 757 ND1 HIS A 49 4.444 -0.670 4.062 1.00 0.00 N ATOM 758 CD2 HIS A 49 6.586 -0.291 3.947 1.00 0.00 C ATOM 759 CE1 HIS A 49 4.922 -1.431 3.095 1.00 0.00 C ATOM 760 NE2 HIS A 49 6.221 -1.219 3.004 1.00 0.00 N ATOM 0 H HIS A 49 4.237 -0.708 7.465 1.00 0.00 H new ATOM 0 HA HIS A 49 6.914 0.467 6.981 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.204 1.230 5.837 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.739 1.982 5.451 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.467 -0.629 4.353 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.582 0.088 4.120 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.348 -2.111 2.483 1.00 0.00 H new ATOM 0 HE2 HIS A 49 6.851 -1.671 2.341 1.00 0.00 H new ATOM 769 N ASN A 50 5.922 1.343 9.373 1.00 0.00 N ATOM 770 CA ASN A 50 5.660 2.246 10.494 1.00 0.00 C ATOM 771 C ASN A 50 6.514 3.515 10.393 1.00 0.00 C ATOM 772 O ASN A 50 7.309 3.819 11.286 1.00 0.00 O ATOM 773 CB ASN A 50 5.912 1.530 11.832 1.00 0.00 C ATOM 774 CG ASN A 50 4.952 1.971 12.928 1.00 0.00 C ATOM 775 OD1 ASN A 50 4.239 1.149 13.501 1.00 0.00 O ATOM 776 ND2 ASN A 50 4.922 3.269 13.231 1.00 0.00 N ATOM 0 H ASN A 50 6.438 0.500 9.625 1.00 0.00 H new ATOM 0 HA ASN A 50 4.612 2.543 10.450 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.819 0.454 11.686 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.936 1.721 12.154 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.293 3.608 13.959 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.528 3.923 12.735 1.00 0.00 H new ATOM 783 N LEU A 51 6.341 4.249 9.295 1.00 0.00 N ATOM 784 CA LEU A 51 7.087 5.482 9.062 1.00 0.00 C ATOM 785 C LEU A 51 6.165 6.591 8.552 1.00 0.00 C ATOM 786 O LEU A 51 6.195 6.952 7.372 1.00 0.00 O ATOM 787 CB LEU A 51 8.227 5.231 8.068 1.00 0.00 C ATOM 788 CG LEU A 51 9.216 4.137 8.480 1.00 0.00 C ATOM 789 CD1 LEU A 51 8.902 2.828 7.769 1.00 0.00 C ATOM 790 CD2 LEU A 51 10.646 4.572 8.191 1.00 0.00 C ATOM 0 H LEU A 51 5.687 4.009 8.550 1.00 0.00 H new ATOM 0 HA LEU A 51 7.514 5.809 10.010 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.795 4.965 7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.776 6.162 7.926 1.00 0.00 H new ATOM 0 HG LEU A 51 9.115 3.974 9.553 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.618 2.066 8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.894 2.506 8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.970 2.974 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.334 3.782 8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.759 4.766 7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.870 5.480 8.751 1.00 0.00 H new ATOM 802 N GLU A 52 5.347 7.131 9.459 1.00 0.00 N ATOM 803 CA GLU A 52 4.407 8.206 9.129 1.00 0.00 C ATOM 804 C GLU A 52 3.490 7.821 7.959 1.00 0.00 C ATOM 805 O GLU A 52 3.154 8.656 7.117 1.00 0.00 O ATOM 806 CB GLU A 52 5.179 9.483 8.801 1.00 0.00 C ATOM 807 CG GLU A 52 5.814 10.140 10.019 1.00 0.00 C ATOM 808 CD GLU A 52 7.289 9.811 10.161 1.00 0.00 C ATOM 809 OE1 GLU A 52 7.608 8.714 10.667 1.00 0.00 O ATOM 810 OE2 GLU A 52 8.125 10.651 9.770 1.00 0.00 O ATOM 0 H GLU A 52 5.317 6.838 10.436 1.00 0.00 H new ATOM 0 HA GLU A 52 3.772 8.378 9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.959 9.250 8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.504 10.194 8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.692 11.221 9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.286 9.818 10.917 1.00 0.00 H new ATOM 817 N GLU A 53 3.084 6.551 7.924 1.00 0.00 N ATOM 818 CA GLU A 53 2.204 6.047 6.870 1.00 0.00 C ATOM 819 C GLU A 53 0.941 5.415 7.468 1.00 0.00 C ATOM 820 O GLU A 53 0.531 4.321 7.068 1.00 0.00 O ATOM 821 CB GLU A 53 2.954 5.027 6.002 1.00 0.00 C ATOM 822 CG GLU A 53 4.042 5.647 5.135 1.00 0.00 C ATOM 823 CD GLU A 53 5.224 4.720 4.907 1.00 0.00 C ATOM 824 OE1 GLU A 53 5.919 4.389 5.888 1.00 0.00 O ATOM 825 OE2 GLU A 53 5.460 4.331 3.745 1.00 0.00 O ATOM 0 H GLU A 53 3.352 5.851 8.616 1.00 0.00 H new ATOM 0 HA GLU A 53 1.898 6.886 6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.402 4.272 6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.239 4.513 5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.615 5.926 4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.394 6.565 5.605 1.00 0.00 H new ATOM 832 N GLU A 54 0.326 6.112 8.429 1.00 0.00 N ATOM 833 CA GLU A 54 -0.884 5.623 9.080 1.00 0.00 C ATOM 834 C GLU A 54 -2.104 6.449 8.661 1.00 0.00 C ATOM 835 O GLU A 54 -2.502 7.399 9.341 1.00 0.00 O ATOM 836 CB GLU A 54 -0.705 5.638 10.609 1.00 0.00 C ATOM 837 CG GLU A 54 -2.011 5.716 11.389 1.00 0.00 C ATOM 838 CD GLU A 54 -2.049 4.790 12.591 1.00 0.00 C ATOM 839 OE1 GLU A 54 -1.148 4.888 13.449 1.00 0.00 O ATOM 840 OE2 GLU A 54 -2.990 3.974 12.679 1.00 0.00 O ATOM 0 H GLU A 54 0.650 7.017 8.770 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.058 4.595 8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.168 4.738 10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.080 6.488 10.882 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.165 6.742 11.724 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.839 5.470 10.724 1.00 0.00 H new ATOM 847 N GLU A 55 -2.694 6.072 7.528 1.00 0.00 N ATOM 848 CA GLU A 55 -3.875 6.753 6.999 1.00 0.00 C ATOM 849 C GLU A 55 -4.823 5.731 6.361 1.00 0.00 C ATOM 850 O GLU A 55 -4.804 5.523 5.146 1.00 0.00 O ATOM 851 CB GLU A 55 -3.466 7.814 5.976 1.00 0.00 C ATOM 852 CG GLU A 55 -2.669 8.968 6.574 1.00 0.00 C ATOM 853 CD GLU A 55 -1.293 9.119 5.954 1.00 0.00 C ATOM 854 OE1 GLU A 55 -0.470 8.188 6.089 1.00 0.00 O ATOM 855 OE2 GLU A 55 -1.036 10.171 5.332 1.00 0.00 O ATOM 0 H GLU A 55 -2.371 5.293 6.955 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.393 7.250 7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.872 7.341 5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.362 8.212 5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.226 9.895 6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.563 8.812 7.648 1.00 0.00 H new ATOM 862 N PRO A 56 -5.650 5.058 7.190 1.00 0.00 N ATOM 863 CA PRO A 56 -6.597 4.023 6.734 1.00 0.00 C ATOM 864 C PRO A 56 -7.542 4.473 5.615 1.00 0.00 C ATOM 865 O PRO A 56 -7.997 3.648 4.820 1.00 0.00 O ATOM 866 CB PRO A 56 -7.402 3.675 7.997 1.00 0.00 C ATOM 867 CG PRO A 56 -7.090 4.750 8.982 1.00 0.00 C ATOM 868 CD PRO A 56 -5.710 5.232 8.649 1.00 0.00 C ATOM 0 HA PRO A 56 -6.054 3.185 6.298 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.470 3.638 7.783 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.120 2.696 8.384 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.813 5.563 8.914 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.134 4.368 10.002 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.564 6.272 8.939 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.943 4.648 9.158 1.00 0.00 H new ATOM 876 N GLU A 57 -7.855 5.763 5.563 1.00 0.00 N ATOM 877 CA GLU A 57 -8.766 6.286 4.546 1.00 0.00 C ATOM 878 C GLU A 57 -8.146 7.438 3.743 1.00 0.00 C ATOM 879 O GLU A 57 -8.826 8.416 3.421 1.00 0.00 O ATOM 880 CB GLU A 57 -10.069 6.739 5.207 1.00 0.00 C ATOM 881 CG GLU A 57 -9.878 7.856 6.218 1.00 0.00 C ATOM 882 CD GLU A 57 -9.468 7.345 7.588 1.00 0.00 C ATOM 883 OE1 GLU A 57 -10.301 6.697 8.257 1.00 0.00 O ATOM 884 OE2 GLU A 57 -8.311 7.592 7.987 1.00 0.00 O ATOM 0 H GLU A 57 -7.494 6.465 6.209 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.971 5.481 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.762 7.073 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.532 5.886 5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.119 8.547 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.806 8.421 6.308 1.00 0.00 H new ATOM 891 N ASP A 58 -6.858 7.324 3.419 1.00 0.00 N ATOM 892 CA ASP A 58 -6.169 8.366 2.657 1.00 0.00 C ATOM 893 C ASP A 58 -5.240 7.798 1.579 1.00 0.00 C ATOM 894 O ASP A 58 -4.343 8.498 1.110 1.00 0.00 O ATOM 895 CB ASP A 58 -5.357 9.236 3.612 1.00 0.00 C ATOM 896 CG ASP A 58 -5.462 10.714 3.291 1.00 0.00 C ATOM 897 OD1 ASP A 58 -6.597 11.237 3.261 1.00 0.00 O ATOM 898 OD2 ASP A 58 -4.410 11.346 3.062 1.00 0.00 O ATOM 0 H ASP A 58 -6.274 6.526 3.670 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.934 8.953 2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.699 9.065 4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.311 8.933 3.572 1.00 0.00 H new ATOM 903 N TYR A 59 -5.427 6.532 1.198 1.00 0.00 N ATOM 904 CA TYR A 59 -4.555 5.918 0.198 1.00 0.00 C ATOM 905 C TYR A 59 -5.316 5.200 -0.915 1.00 0.00 C ATOM 906 O TYR A 59 -6.506 4.907 -0.802 1.00 0.00 O ATOM 907 CB TYR A 59 -3.621 4.928 0.881 1.00 0.00 C ATOM 908 CG TYR A 59 -2.453 5.582 1.570 1.00 0.00 C ATOM 909 CD1 TYR A 59 -2.656 6.494 2.593 1.00 0.00 C ATOM 910 CD2 TYR A 59 -1.151 5.286 1.201 1.00 0.00 C ATOM 911 CE1 TYR A 59 -1.599 7.096 3.230 1.00 0.00 C ATOM 912 CE2 TYR A 59 -0.079 5.885 1.836 1.00 0.00 C ATOM 913 CZ TYR A 59 -0.309 6.790 2.851 1.00 0.00 C ATOM 914 OH TYR A 59 0.753 7.389 3.487 1.00 0.00 O ATOM 0 H TYR A 59 -6.161 5.923 1.560 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.997 6.729 -0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.187 4.351 1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.247 4.223 0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.664 6.736 2.895 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.971 4.577 0.406 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.777 7.806 4.024 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.932 5.646 1.539 1.00 0.00 H new ATOM 0 HH TYR A 59 0.466 7.716 4.365 1.00 0.00 H new ATOM 924 N GLU A 60 -4.578 4.899 -1.978 1.00 0.00 N ATOM 925 CA GLU A 60 -5.097 4.183 -3.135 1.00 0.00 C ATOM 926 C GLU A 60 -4.359 2.855 -3.266 1.00 0.00 C ATOM 927 O GLU A 60 -3.191 2.752 -2.878 1.00 0.00 O ATOM 928 CB GLU A 60 -4.915 5.011 -4.410 1.00 0.00 C ATOM 929 CG GLU A 60 -6.203 5.631 -4.922 1.00 0.00 C ATOM 930 CD GLU A 60 -6.241 5.738 -6.434 1.00 0.00 C ATOM 931 OE1 GLU A 60 -5.755 6.755 -6.970 1.00 0.00 O ATOM 932 OE2 GLU A 60 -6.758 4.805 -7.084 1.00 0.00 O ATOM 0 H GLU A 60 -3.592 5.148 -2.060 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.163 4.003 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.191 5.803 -4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.493 4.376 -5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.049 5.033 -4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.321 6.624 -4.489 1.00 0.00 H new ATOM 939 N LEU A 61 -5.033 1.839 -3.789 1.00 0.00 N ATOM 940 CA LEU A 61 -4.410 0.530 -3.929 1.00 0.00 C ATOM 941 C LEU A 61 -4.211 0.132 -5.388 1.00 0.00 C ATOM 942 O LEU A 61 -5.069 0.376 -6.239 1.00 0.00 O ATOM 943 CB LEU A 61 -5.241 -0.528 -3.201 1.00 0.00 C ATOM 944 CG LEU A 61 -4.674 -0.965 -1.850 1.00 0.00 C ATOM 945 CD1 LEU A 61 -5.402 -0.271 -0.710 1.00 0.00 C ATOM 946 CD2 LEU A 61 -4.753 -2.476 -1.704 1.00 0.00 C ATOM 0 H LEU A 61 -5.997 1.894 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.420 0.593 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.248 -0.139 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.332 -1.404 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.625 -0.672 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.982 -0.597 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.285 0.808 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.461 -0.526 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.345 -2.770 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.793 -2.794 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.177 -2.949 -2.499 1.00 0.00 H new ATOM 958 N LEU A 62 -3.065 -0.498 -5.655 1.00 0.00 N ATOM 959 CA LEU A 62 -2.712 -0.969 -6.994 1.00 0.00 C ATOM 960 C LEU A 62 -1.995 -2.316 -6.882 1.00 0.00 C ATOM 961 O LEU A 62 -1.027 -2.429 -6.139 1.00 0.00 O ATOM 962 CB LEU A 62 -1.809 0.046 -7.705 1.00 0.00 C ATOM 963 CG LEU A 62 -2.257 1.509 -7.611 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.678 2.172 -6.370 1.00 0.00 C ATOM 965 CD2 LEU A 62 -1.846 2.271 -8.860 1.00 0.00 C ATOM 0 H LEU A 62 -2.356 -0.696 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.624 -1.085 -7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.804 -0.035 -7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.743 -0.228 -8.758 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.344 1.529 -7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.009 3.209 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.020 1.642 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.589 2.140 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.172 3.308 -8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.762 2.238 -8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.310 1.814 -9.734 1.00 0.00 H new ATOM 977 N GLN A 63 -2.470 -3.339 -7.593 1.00 0.00 N ATOM 978 CA GLN A 63 -1.840 -4.665 -7.504 1.00 0.00 C ATOM 979 C GLN A 63 -1.389 -5.209 -8.852 1.00 0.00 C ATOM 980 O GLN A 63 -2.051 -5.026 -9.872 1.00 0.00 O ATOM 981 CB GLN A 63 -2.778 -5.680 -6.839 1.00 0.00 C ATOM 982 CG GLN A 63 -2.084 -6.571 -5.819 1.00 0.00 C ATOM 983 CD GLN A 63 -1.960 -8.011 -6.275 1.00 0.00 C ATOM 984 OE1 GLN A 63 -1.068 -8.351 -7.046 1.00 0.00 O ATOM 985 NE2 GLN A 63 -2.848 -8.870 -5.794 1.00 0.00 N ATOM 0 H GLN A 63 -3.270 -3.283 -8.224 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.950 -4.524 -6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.591 -5.144 -6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.228 -6.306 -7.610 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.090 -6.174 -5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.638 -6.540 -4.881 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.575 -8.548 -5.155 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.804 -9.853 -6.063 1.00 0.00 H new ATOM 994 N ILE A 64 -0.260 -5.913 -8.817 1.00 0.00 N ATOM 995 CA ILE A 64 0.316 -6.543 -9.995 1.00 0.00 C ATOM 996 C ILE A 64 -0.055 -8.029 -10.010 1.00 0.00 C ATOM 997 O ILE A 64 0.409 -8.797 -9.160 1.00 0.00 O ATOM 998 CB ILE A 64 1.853 -6.401 -10.003 1.00 0.00 C ATOM 999 CG1 ILE A 64 2.255 -4.928 -10.130 1.00 0.00 C ATOM 1000 CG2 ILE A 64 2.463 -7.222 -11.131 1.00 0.00 C ATOM 1001 CD1 ILE A 64 3.286 -4.495 -9.110 1.00 0.00 C ATOM 0 H ILE A 64 0.281 -6.061 -7.965 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.082 -6.047 -10.880 1.00 0.00 H new ATOM 0 HB ILE A 64 2.238 -6.783 -9.057 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.649 -4.752 -11.131 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.366 -4.306 -10.023 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.547 -7.108 -11.119 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.207 -8.273 -10.996 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.072 -6.874 -12.087 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.524 -3.442 -9.258 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.887 -4.639 -8.106 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.190 -5.092 -9.231 1.00 0.00 H new ATOM 1013 N LEU A 65 -0.907 -8.424 -10.956 1.00 0.00 N ATOM 1014 CA LEU A 65 -1.359 -9.808 -11.055 1.00 0.00 C ATOM 1015 C LEU A 65 -1.086 -10.391 -12.447 1.00 0.00 C ATOM 1016 O LEU A 65 -0.333 -9.817 -13.234 1.00 0.00 O ATOM 1017 CB LEU A 65 -2.859 -9.875 -10.726 1.00 0.00 C ATOM 1018 CG LEU A 65 -3.234 -9.412 -9.312 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.173 -8.215 -9.361 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.874 -10.547 -8.533 1.00 0.00 C ATOM 0 H LEU A 65 -1.297 -7.803 -11.665 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.800 -10.409 -10.338 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.402 -9.264 -11.448 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.199 -10.902 -10.858 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.318 -9.109 -8.804 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.423 -7.907 -8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.685 -7.391 -9.880 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.085 -8.489 -9.892 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.133 -10.201 -7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.776 -10.878 -9.048 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.173 -11.378 -8.459 1.00 0.00 H new ATOM 1032 N SER A 66 -1.711 -11.531 -12.738 1.00 0.00 N ATOM 1033 CA SER A 66 -1.557 -12.198 -14.031 1.00 0.00 C ATOM 1034 C SER A 66 -2.725 -11.837 -14.938 1.00 0.00 C ATOM 1035 O SER A 66 -2.556 -11.119 -15.925 1.00 0.00 O ATOM 1036 CB SER A 66 -1.473 -13.717 -13.848 1.00 0.00 C ATOM 1037 OG SER A 66 -2.538 -14.194 -13.039 1.00 0.00 O ATOM 0 H SER A 66 -2.333 -12.015 -12.091 1.00 0.00 H new ATOM 0 HA SER A 66 -0.630 -11.860 -14.493 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.505 -14.206 -14.822 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.519 -13.979 -13.390 1.00 0.00 H new ATOM 0 HG SER A 66 -2.558 -15.173 -13.069 1.00 0.00 H new ATOM 1043 N ASP A 67 -3.919 -12.307 -14.572 1.00 0.00 N ATOM 1044 CA ASP A 67 -5.130 -12.000 -15.328 1.00 0.00 C ATOM 1045 C ASP A 67 -5.397 -10.493 -15.290 1.00 0.00 C ATOM 1046 O ASP A 67 -6.032 -9.940 -16.189 1.00 0.00 O ATOM 1047 CB ASP A 67 -6.329 -12.770 -14.763 1.00 0.00 C ATOM 1048 CG ASP A 67 -6.067 -14.260 -14.650 1.00 0.00 C ATOM 1049 OD1 ASP A 67 -5.535 -14.692 -13.605 1.00 0.00 O ATOM 1050 OD2 ASP A 67 -6.392 -14.995 -15.606 1.00 0.00 O ATOM 0 H ASP A 67 -4.071 -12.901 -13.757 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.985 -12.309 -16.363 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.579 -12.374 -13.779 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.196 -12.605 -15.403 1.00 0.00 H new ATOM 1055 N ASP A 68 -4.876 -9.837 -14.248 1.00 0.00 N ATOM 1056 CA ASP A 68 -5.012 -8.400 -14.078 1.00 0.00 C ATOM 1057 C ASP A 68 -3.629 -7.784 -13.858 1.00 0.00 C ATOM 1058 O ASP A 68 -3.349 -7.223 -12.796 1.00 0.00 O ATOM 1059 CB ASP A 68 -5.943 -8.081 -12.902 1.00 0.00 C ATOM 1060 CG ASP A 68 -6.632 -6.736 -13.055 1.00 0.00 C ATOM 1061 OD1 ASP A 68 -5.923 -5.713 -13.164 1.00 0.00 O ATOM 1062 OD2 ASP A 68 -7.879 -6.707 -13.064 1.00 0.00 O ATOM 0 H ASP A 68 -4.350 -10.294 -13.503 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.454 -7.972 -14.977 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.696 -8.864 -12.816 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.369 -8.088 -11.976 1.00 0.00 H new ATOM 1067 N ARG A 69 -2.770 -7.932 -14.877 1.00 0.00 N ATOM 1068 CA ARG A 69 -1.382 -7.431 -14.861 1.00 0.00 C ATOM 1069 C ARG A 69 -1.151 -6.359 -13.798 1.00 0.00 C ATOM 1070 O ARG A 69 -0.296 -6.520 -12.929 1.00 0.00 O ATOM 1071 CB ARG A 69 -0.979 -6.894 -16.244 1.00 0.00 C ATOM 1072 CG ARG A 69 -2.128 -6.317 -17.066 1.00 0.00 C ATOM 1073 CD ARG A 69 -2.493 -7.217 -18.237 1.00 0.00 C ATOM 1074 NE ARG A 69 -2.003 -6.686 -19.512 1.00 0.00 N ATOM 1075 CZ ARG A 69 -0.912 -7.122 -20.144 1.00 0.00 C ATOM 1076 NH1 ARG A 69 -0.169 -8.095 -19.629 1.00 0.00 N ATOM 1077 NH2 ARG A 69 -0.560 -6.578 -21.300 1.00 0.00 N ATOM 0 H ARG A 69 -3.019 -8.407 -15.745 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.751 -8.282 -14.605 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.222 -6.121 -16.112 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.515 -7.701 -16.811 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.000 -6.181 -16.426 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.849 -5.331 -17.438 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.076 -8.211 -18.074 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.576 -7.330 -18.284 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.533 -5.930 -19.946 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.430 -8.519 -18.739 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.662 -8.418 -20.124 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.122 -5.829 -21.703 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.273 -6.908 -21.786 1.00 0.00 H new ATOM 1091 N LYS A 70 -1.922 -5.279 -13.862 1.00 0.00 N ATOM 1092 CA LYS A 70 -1.814 -4.195 -12.892 1.00 0.00 C ATOM 1093 C LYS A 70 -3.169 -3.522 -12.685 1.00 0.00 C ATOM 1094 O LYS A 70 -3.701 -2.880 -13.592 1.00 0.00 O ATOM 1095 CB LYS A 70 -0.779 -3.164 -13.344 1.00 0.00 C ATOM 1096 CG LYS A 70 0.580 -3.324 -12.681 1.00 0.00 C ATOM 1097 CD LYS A 70 1.521 -4.161 -13.534 1.00 0.00 C ATOM 1098 CE LYS A 70 2.320 -3.299 -14.499 1.00 0.00 C ATOM 1099 NZ LYS A 70 3.351 -2.475 -13.800 1.00 0.00 N ATOM 0 H LYS A 70 -2.632 -5.131 -14.579 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.487 -4.622 -11.944 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.656 -3.237 -14.425 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.160 -2.165 -13.133 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.020 -2.342 -12.509 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.457 -3.794 -11.705 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.204 -4.713 -12.888 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.946 -4.898 -14.095 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.807 -3.938 -15.236 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.642 -2.643 -15.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.039 -2.119 -14.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.891 -1.672 -13.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.842 -3.059 -13.094 1.00 0.00 H new ATOM 1113 N LEU A 71 -3.720 -3.680 -11.485 1.00 0.00 N ATOM 1114 CA LEU A 71 -5.016 -3.095 -11.143 1.00 0.00 C ATOM 1115 C LEU A 71 -4.838 -1.895 -10.210 1.00 0.00 C ATOM 1116 O LEU A 71 -3.782 -1.731 -9.597 1.00 0.00 O ATOM 1117 CB LEU A 71 -5.923 -4.160 -10.502 1.00 0.00 C ATOM 1118 CG LEU A 71 -6.044 -4.111 -8.974 1.00 0.00 C ATOM 1119 CD1 LEU A 71 -7.488 -3.880 -8.559 1.00 0.00 C ATOM 1120 CD2 LEU A 71 -5.512 -5.392 -8.355 1.00 0.00 C ATOM 0 H LEU A 71 -3.288 -4.211 -10.729 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.492 -2.740 -12.057 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.921 -4.063 -10.929 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.550 -5.144 -10.785 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.444 -3.277 -8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.553 -3.848 -7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.838 -2.934 -8.971 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.109 -4.692 -8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.606 -5.338 -7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.085 -6.241 -8.728 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.463 -5.517 -8.622 1.00 0.00 H new ATOM 1132 N LYS A 72 -5.872 -1.060 -10.107 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.819 0.119 -9.249 1.00 0.00 C ATOM 1134 C LYS A 72 -7.227 0.569 -8.850 1.00 0.00 C ATOM 1135 O LYS A 72 -8.099 0.744 -9.702 1.00 0.00 O ATOM 1136 CB LYS A 72 -5.075 1.247 -9.968 1.00 0.00 C ATOM 1137 CG LYS A 72 -5.291 2.623 -9.361 1.00 0.00 C ATOM 1138 CD LYS A 72 -4.751 3.718 -10.269 1.00 0.00 C ATOM 1139 CE LYS A 72 -4.806 5.083 -9.600 1.00 0.00 C ATOM 1140 NZ LYS A 72 -6.173 5.673 -9.646 1.00 0.00 N ATOM 0 H LYS A 72 -6.753 -1.179 -10.606 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.281 -0.136 -8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.008 1.024 -9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.392 1.269 -11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.355 2.783 -9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.798 2.676 -8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.721 3.488 -10.543 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.329 3.742 -11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.486 4.991 -8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.104 5.756 -10.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.107 6.708 -9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.630 5.421 -10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.738 5.302 -8.855 1.00 0.00 H new ATOM 1154 N ILE A 73 -7.437 0.752 -7.547 1.00 0.00 N ATOM 1155 CA ILE A 73 -8.735 1.181 -7.024 1.00 0.00 C ATOM 1156 C ILE A 73 -8.587 2.381 -6.087 1.00 0.00 C ATOM 1157 O ILE A 73 -7.656 2.433 -5.277 1.00 0.00 O ATOM 1158 CB ILE A 73 -9.444 0.030 -6.268 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -9.731 -1.142 -7.216 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -10.732 0.510 -5.603 1.00 0.00 C ATOM 1161 CD1 ILE A 73 -10.797 -0.849 -8.252 1.00 0.00 C ATOM 0 H ILE A 73 -6.724 0.610 -6.832 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.342 1.471 -7.882 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.772 -0.314 -5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.808 -1.417 -7.727 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.039 -2.006 -6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.204 -0.322 -5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.500 1.301 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.412 0.895 -6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.942 -1.726 -8.883 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.734 -0.604 -7.751 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.484 -0.006 -8.868 1.00 0.00 H new ATOM 1173 N PRO A 74 -9.508 3.364 -6.188 1.00 0.00 N ATOM 1174 CA PRO A 74 -9.487 4.573 -5.349 1.00 0.00 C ATOM 1175 C PRO A 74 -9.539 4.257 -3.848 1.00 0.00 C ATOM 1176 O PRO A 74 -9.496 3.093 -3.444 1.00 0.00 O ATOM 1177 CB PRO A 74 -10.742 5.350 -5.784 1.00 0.00 C ATOM 1178 CG PRO A 74 -11.580 4.377 -6.543 1.00 0.00 C ATOM 1179 CD PRO A 74 -10.636 3.373 -7.135 1.00 0.00 C ATOM 0 HA PRO A 74 -8.561 5.133 -5.483 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.280 5.739 -4.920 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.477 6.205 -6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.301 3.891 -5.886 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.149 4.882 -7.324 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.097 2.389 -7.220 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.318 3.663 -8.136 1.00 0.00 H new ATOM 1187 N GLU A 75 -9.619 5.315 -3.031 1.00 0.00 N ATOM 1188 CA GLU A 75 -9.667 5.192 -1.568 1.00 0.00 C ATOM 1189 C GLU A 75 -10.526 4.016 -1.090 1.00 0.00 C ATOM 1190 O GLU A 75 -10.216 3.399 -0.070 1.00 0.00 O ATOM 1191 CB GLU A 75 -10.181 6.494 -0.946 1.00 0.00 C ATOM 1192 CG GLU A 75 -9.392 6.937 0.276 1.00 0.00 C ATOM 1193 CD GLU A 75 -9.298 5.858 1.337 1.00 0.00 C ATOM 1194 OE1 GLU A 75 -10.330 5.563 1.978 1.00 0.00 O ATOM 1195 OE2 GLU A 75 -8.194 5.306 1.526 1.00 0.00 O ATOM 0 H GLU A 75 -9.652 6.278 -3.364 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.647 4.995 -1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.147 7.284 -1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.227 6.365 -0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.387 7.227 -0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.862 7.822 0.705 1.00 0.00 H new ATOM 1202 N ASN A 76 -11.596 3.697 -1.824 1.00 0.00 N ATOM 1203 CA ASN A 76 -12.472 2.584 -1.449 1.00 0.00 C ATOM 1204 C ASN A 76 -11.819 1.233 -1.776 1.00 0.00 C ATOM 1205 O ASN A 76 -12.385 0.406 -2.497 1.00 0.00 O ATOM 1206 CB ASN A 76 -13.839 2.706 -2.144 1.00 0.00 C ATOM 1207 CG ASN A 76 -13.736 2.867 -3.654 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -12.703 2.577 -4.254 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -14.813 3.330 -4.282 1.00 0.00 N ATOM 0 H ASN A 76 -11.875 4.188 -2.673 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.629 2.632 -0.371 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.433 1.820 -1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -14.374 3.561 -1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.799 3.455 -5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.653 3.560 -3.751 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.620 1.014 -1.225 1.00 0.00 N ATOM 1217 CA ALA A 77 -9.873 -0.227 -1.438 1.00 0.00 C ATOM 1218 C ALA A 77 -10.603 -1.453 -0.879 1.00 0.00 C ATOM 1219 O ALA A 77 -10.200 -2.587 -1.139 1.00 0.00 O ATOM 1220 CB ALA A 77 -8.485 -0.114 -0.829 1.00 0.00 C ATOM 0 H ALA A 77 -10.145 1.687 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.786 -0.371 -2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.939 -1.043 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.948 0.711 -1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.571 0.071 0.242 1.00 0.00 H new ATOM 1226 N ASN A 78 -11.682 -1.222 -0.124 1.00 0.00 N ATOM 1227 CA ASN A 78 -12.475 -2.307 0.453 1.00 0.00 C ATOM 1228 C ASN A 78 -12.800 -3.363 -0.610 1.00 0.00 C ATOM 1229 O ASN A 78 -12.734 -4.564 -0.344 1.00 0.00 O ATOM 1230 CB ASN A 78 -13.760 -1.728 1.073 1.00 0.00 C ATOM 1231 CG ASN A 78 -15.036 -2.385 0.569 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -15.307 -3.549 0.857 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -15.829 -1.637 -0.189 1.00 0.00 N ATOM 0 H ASN A 78 -12.025 -0.288 0.101 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.898 -2.798 1.237 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.710 -1.837 2.156 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.805 -0.660 0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.699 -2.025 -0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.569 -0.675 -0.405 1.00 0.00 H new ATOM 1240 N VAL A 79 -13.136 -2.896 -1.814 1.00 0.00 N ATOM 1241 CA VAL A 79 -13.459 -3.785 -2.930 1.00 0.00 C ATOM 1242 C VAL A 79 -12.189 -4.285 -3.625 1.00 0.00 C ATOM 1243 O VAL A 79 -12.150 -5.409 -4.126 1.00 0.00 O ATOM 1244 CB VAL A 79 -14.361 -3.080 -3.966 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -14.920 -4.082 -4.967 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -15.489 -2.327 -3.274 1.00 0.00 C ATOM 0 H VAL A 79 -13.191 -1.903 -2.041 1.00 0.00 H new ATOM 0 HA VAL A 79 -13.996 -4.636 -2.512 1.00 0.00 H new ATOM 0 HB VAL A 79 -13.752 -2.359 -4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -15.552 -3.563 -5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -14.098 -4.570 -5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.510 -4.832 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.112 -1.838 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -16.095 -3.027 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.068 -1.576 -2.605 1.00 0.00 H new ATOM 1256 N PHE A 80 -11.155 -3.439 -3.645 1.00 0.00 N ATOM 1257 CA PHE A 80 -9.874 -3.775 -4.270 1.00 0.00 C ATOM 1258 C PHE A 80 -9.323 -5.107 -3.754 1.00 0.00 C ATOM 1259 O PHE A 80 -8.831 -5.923 -4.537 1.00 0.00 O ATOM 1260 CB PHE A 80 -8.860 -2.653 -4.012 1.00 0.00 C ATOM 1261 CG PHE A 80 -7.485 -2.925 -4.554 1.00 0.00 C ATOM 1262 CD1 PHE A 80 -6.684 -3.907 -3.994 1.00 0.00 C ATOM 1263 CD2 PHE A 80 -6.989 -2.193 -5.618 1.00 0.00 C ATOM 1264 CE1 PHE A 80 -5.421 -4.152 -4.485 1.00 0.00 C ATOM 1265 CE2 PHE A 80 -5.726 -2.433 -6.110 1.00 0.00 C ATOM 1266 CZ PHE A 80 -4.940 -3.412 -5.544 1.00 0.00 C ATOM 0 H PHE A 80 -11.182 -2.507 -3.231 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.042 -3.879 -5.342 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.236 -1.731 -4.454 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.787 -2.485 -2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.055 -4.487 -3.162 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.600 -1.424 -6.068 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.808 -4.923 -4.041 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.351 -1.853 -6.940 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.949 -3.600 -5.929 1.00 0.00 H new ATOM 1276 N TYR A 81 -9.397 -5.321 -2.437 1.00 0.00 N ATOM 1277 CA TYR A 81 -8.891 -6.553 -1.829 1.00 0.00 C ATOM 1278 C TYR A 81 -9.548 -7.799 -2.433 1.00 0.00 C ATOM 1279 O TYR A 81 -8.921 -8.856 -2.515 1.00 0.00 O ATOM 1280 CB TYR A 81 -9.087 -6.527 -0.313 1.00 0.00 C ATOM 1281 CG TYR A 81 -7.799 -6.307 0.446 1.00 0.00 C ATOM 1282 CD1 TYR A 81 -6.957 -5.248 0.131 1.00 0.00 C ATOM 1283 CD2 TYR A 81 -7.423 -7.157 1.475 1.00 0.00 C ATOM 1284 CE1 TYR A 81 -5.778 -5.045 0.821 1.00 0.00 C ATOM 1285 CE2 TYR A 81 -6.246 -6.958 2.170 1.00 0.00 C ATOM 1286 CZ TYR A 81 -5.428 -5.902 1.840 1.00 0.00 C ATOM 1287 OH TYR A 81 -4.258 -5.702 2.536 1.00 0.00 O ATOM 0 H TYR A 81 -9.801 -4.659 -1.774 1.00 0.00 H new ATOM 0 HA TYR A 81 -7.824 -6.607 -2.044 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.792 -5.736 -0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -9.534 -7.469 0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.229 -4.572 -0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.061 -7.988 1.737 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.134 -4.218 0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.969 -7.629 2.970 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.596 -5.280 1.949 1.00 0.00 H new ATOM 1297 N ALA A 82 -10.799 -7.665 -2.866 1.00 0.00 N ATOM 1298 CA ALA A 82 -11.519 -8.779 -3.478 1.00 0.00 C ATOM 1299 C ALA A 82 -11.148 -8.928 -4.957 1.00 0.00 C ATOM 1300 O ALA A 82 -11.169 -10.034 -5.501 1.00 0.00 O ATOM 1301 CB ALA A 82 -13.021 -8.586 -3.322 1.00 0.00 C ATOM 0 H ALA A 82 -11.334 -6.799 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.228 -9.695 -2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.545 -9.423 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.274 -8.538 -2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.321 -7.658 -3.809 1.00 0.00 H new ATOM 1307 N MET A 83 -10.810 -7.807 -5.601 1.00 0.00 N ATOM 1308 CA MET A 83 -10.439 -7.805 -7.019 1.00 0.00 C ATOM 1309 C MET A 83 -9.011 -8.311 -7.238 1.00 0.00 C ATOM 1310 O MET A 83 -8.762 -9.100 -8.150 1.00 0.00 O ATOM 1311 CB MET A 83 -10.585 -6.397 -7.606 1.00 0.00 C ATOM 1312 CG MET A 83 -12.025 -5.912 -7.686 1.00 0.00 C ATOM 1313 SD MET A 83 -13.063 -6.971 -8.714 1.00 0.00 S ATOM 1314 CE MET A 83 -12.188 -6.894 -10.277 1.00 0.00 C ATOM 0 H MET A 83 -10.786 -6.887 -5.161 1.00 0.00 H new ATOM 0 HA MET A 83 -11.118 -8.487 -7.532 1.00 0.00 H new ATOM 0 HB2 MET A 83 -10.009 -5.699 -6.999 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.151 -6.383 -8.606 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.444 -5.865 -6.681 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.040 -4.898 -8.085 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.844 -7.235 -11.078 1.00 0.00 H new ATOM 0 HE2 MET A 83 -11.881 -5.866 -10.472 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.306 -7.533 -10.232 1.00 0.00 H new ATOM 1324 N ASN A 84 -8.075 -7.846 -6.408 1.00 0.00 N ATOM 1325 CA ASN A 84 -6.666 -8.243 -6.527 1.00 0.00 C ATOM 1326 C ASN A 84 -6.401 -9.647 -5.944 1.00 0.00 C ATOM 1327 O ASN A 84 -5.446 -9.852 -5.194 1.00 0.00 O ATOM 1328 CB ASN A 84 -5.769 -7.181 -5.855 1.00 0.00 C ATOM 1329 CG ASN A 84 -5.562 -7.391 -4.359 1.00 0.00 C ATOM 1330 OD1 ASN A 84 -4.449 -7.247 -3.857 1.00 0.00 O ATOM 1331 ND2 ASN A 84 -6.620 -7.729 -3.637 1.00 0.00 N ATOM 0 H ASN A 84 -8.265 -7.195 -5.646 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.421 -8.300 -7.588 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.797 -7.179 -6.348 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.209 -6.197 -6.014 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.525 -7.878 -2.632 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.529 -7.840 -4.086 1.00 0.00 H new ATOM 1338 N SER A 85 -7.242 -10.618 -6.305 1.00 0.00 N ATOM 1339 CA SER A 85 -7.080 -11.987 -5.814 1.00 0.00 C ATOM 1340 C SER A 85 -7.259 -13.017 -6.938 1.00 0.00 C ATOM 1341 O SER A 85 -8.018 -13.979 -6.795 1.00 0.00 O ATOM 1342 CB SER A 85 -8.077 -12.260 -4.680 1.00 0.00 C ATOM 1343 OG SER A 85 -7.896 -11.346 -3.609 1.00 0.00 O ATOM 0 H SER A 85 -8.036 -10.483 -6.931 1.00 0.00 H new ATOM 0 HA SER A 85 -6.064 -12.087 -5.433 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.095 -12.182 -5.060 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.949 -13.280 -4.317 1.00 0.00 H new ATOM 0 HG SER A 85 -8.548 -10.619 -3.686 1.00 0.00 H new ATOM 1349 N THR A 86 -6.552 -12.820 -8.056 1.00 0.00 N ATOM 1350 CA THR A 86 -6.638 -13.743 -9.191 1.00 0.00 C ATOM 1351 C THR A 86 -5.464 -14.729 -9.199 1.00 0.00 C ATOM 1352 O THR A 86 -5.649 -15.914 -9.478 1.00 0.00 O ATOM 1353 CB THR A 86 -6.715 -12.971 -10.522 1.00 0.00 C ATOM 1354 OG1 THR A 86 -7.386 -13.742 -11.507 1.00 0.00 O ATOM 1355 CG2 THR A 86 -5.368 -12.570 -11.094 1.00 0.00 C ATOM 0 H THR A 86 -5.918 -12.034 -8.198 1.00 0.00 H new ATOM 0 HA THR A 86 -7.555 -14.321 -9.079 1.00 0.00 H new ATOM 0 HB THR A 86 -7.259 -12.058 -10.280 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.736 -14.078 -12.159 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.516 -12.032 -12.030 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.848 -11.927 -10.384 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.771 -13.463 -11.279 1.00 0.00 H new ATOM 1363 N ALA A 87 -4.262 -14.237 -8.884 1.00 0.00 N ATOM 1364 CA ALA A 87 -3.070 -15.083 -8.853 1.00 0.00 C ATOM 1365 C ALA A 87 -1.997 -14.504 -7.928 1.00 0.00 C ATOM 1366 O ALA A 87 -1.819 -14.970 -6.801 1.00 0.00 O ATOM 1367 CB ALA A 87 -2.524 -15.279 -10.261 1.00 0.00 C ATOM 0 H ALA A 87 -4.091 -13.260 -8.648 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.357 -16.055 -8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.637 -15.911 -10.222 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.282 -15.756 -10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.262 -14.311 -10.688 1.00 0.00 H new ATOM 1373 N ASN A 88 -1.286 -13.485 -8.416 1.00 0.00 N ATOM 1374 CA ASN A 88 -0.229 -12.837 -7.638 1.00 0.00 C ATOM 1375 C ASN A 88 -0.820 -11.935 -6.554 1.00 0.00 C ATOM 1376 O ASN A 88 -2.007 -11.603 -6.587 1.00 0.00 O ATOM 1377 CB ASN A 88 0.684 -12.018 -8.562 1.00 0.00 C ATOM 1378 CG ASN A 88 2.035 -11.729 -7.935 1.00 0.00 C ATOM 1379 OD1 ASN A 88 2.310 -10.605 -7.520 1.00 0.00 O ATOM 1380 ND2 ASN A 88 2.891 -12.744 -7.855 1.00 0.00 N ATOM 0 H ASN A 88 -1.424 -13.091 -9.347 1.00 0.00 H new ATOM 0 HA ASN A 88 0.359 -13.616 -7.153 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.829 -12.559 -9.497 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.194 -11.077 -8.811 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.811 -12.603 -7.438 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.627 -13.663 -8.210 1.00 0.00 H new ATOM 1387 N TYR A 89 0.012 -11.538 -5.591 1.00 0.00 N ATOM 1388 CA TYR A 89 -0.441 -10.675 -4.507 1.00 0.00 C ATOM 1389 C TYR A 89 0.589 -9.586 -4.188 1.00 0.00 C ATOM 1390 O TYR A 89 0.967 -9.386 -3.031 1.00 0.00 O ATOM 1391 CB TYR A 89 -0.764 -11.512 -3.261 1.00 0.00 C ATOM 1392 CG TYR A 89 -2.216 -11.426 -2.841 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -2.858 -10.200 -2.742 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -2.943 -12.572 -2.542 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -4.181 -10.115 -2.356 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -4.268 -12.495 -2.154 1.00 0.00 C ATOM 1397 CZ TYR A 89 -4.881 -11.264 -2.062 1.00 0.00 C ATOM 1398 OH TYR A 89 -6.198 -11.183 -1.673 1.00 0.00 O ATOM 0 H TYR A 89 0.997 -11.800 -5.542 1.00 0.00 H new ATOM 0 HA TYR A 89 -1.352 -10.172 -4.832 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.511 -12.554 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.134 -11.180 -2.436 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.313 -9.296 -2.971 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.466 -13.538 -2.614 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.665 -9.152 -2.285 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.820 -13.395 -1.924 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.745 -10.886 -2.430 1.00 0.00 H new ATOM 1408 N ASP A 90 1.024 -8.871 -5.229 1.00 0.00 N ATOM 1409 CA ASP A 90 1.994 -7.789 -5.075 1.00 0.00 C ATOM 1410 C ASP A 90 1.338 -6.454 -5.399 1.00 0.00 C ATOM 1411 O ASP A 90 1.071 -6.151 -6.561 1.00 0.00 O ATOM 1412 CB ASP A 90 3.203 -8.032 -5.980 1.00 0.00 C ATOM 1413 CG ASP A 90 4.415 -7.219 -5.576 1.00 0.00 C ATOM 1414 OD1 ASP A 90 4.818 -7.300 -4.400 1.00 0.00 O ATOM 1415 OD2 ASP A 90 4.962 -6.502 -6.440 1.00 0.00 O ATOM 0 H ASP A 90 0.717 -9.024 -6.190 1.00 0.00 H new ATOM 0 HA ASP A 90 2.340 -7.764 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.459 -9.091 -5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.935 -7.789 -7.008 1.00 0.00 H new ATOM 1420 N PHE A 91 1.045 -5.672 -4.361 1.00 0.00 N ATOM 1421 CA PHE A 91 0.380 -4.392 -4.549 1.00 0.00 C ATOM 1422 C PHE A 91 1.178 -3.203 -4.019 1.00 0.00 C ATOM 1423 O PHE A 91 2.015 -3.330 -3.126 1.00 0.00 O ATOM 1424 CB PHE A 91 -1.019 -4.456 -3.926 1.00 0.00 C ATOM 1425 CG PHE A 91 -1.153 -3.820 -2.580 1.00 0.00 C ATOM 1426 CD1 PHE A 91 -1.461 -2.477 -2.454 1.00 0.00 C ATOM 1427 CD2 PHE A 91 -0.997 -4.582 -1.441 1.00 0.00 C ATOM 1428 CE1 PHE A 91 -1.605 -1.905 -1.206 1.00 0.00 C ATOM 1429 CE2 PHE A 91 -1.144 -4.021 -0.193 1.00 0.00 C ATOM 1430 CZ PHE A 91 -1.448 -2.679 -0.072 1.00 0.00 C ATOM 0 H PHE A 91 1.257 -5.903 -3.390 1.00 0.00 H new ATOM 0 HA PHE A 91 0.298 -4.218 -5.622 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -1.723 -3.977 -4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.314 -5.502 -3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.590 -1.872 -3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.757 -5.631 -1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.840 -0.855 -1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.022 -4.629 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.563 -2.236 0.906 1.00 0.00 H new ATOM 1440 N VAL A 92 0.883 -2.043 -4.597 1.00 0.00 N ATOM 1441 CA VAL A 92 1.526 -0.791 -4.228 1.00 0.00 C ATOM 1442 C VAL A 92 0.531 0.141 -3.541 1.00 0.00 C ATOM 1443 O VAL A 92 -0.511 0.481 -4.108 1.00 0.00 O ATOM 1444 CB VAL A 92 2.118 -0.080 -5.466 1.00 0.00 C ATOM 1445 CG1 VAL A 92 2.771 1.240 -5.078 1.00 0.00 C ATOM 1446 CG2 VAL A 92 3.116 -0.982 -6.179 1.00 0.00 C ATOM 0 H VAL A 92 0.188 -1.947 -5.337 1.00 0.00 H new ATOM 0 HA VAL A 92 2.336 -1.030 -3.539 1.00 0.00 H new ATOM 0 HB VAL A 92 1.299 0.137 -6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.179 1.719 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.027 1.894 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.575 1.053 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.521 -0.462 -7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.928 -1.236 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.615 -1.894 -6.503 1.00 0.00 H new ATOM 1456 N LEU A 93 0.862 0.550 -2.321 1.00 0.00 N ATOM 1457 CA LEU A 93 0.012 1.446 -1.549 1.00 0.00 C ATOM 1458 C LEU A 93 0.415 2.898 -1.807 1.00 0.00 C ATOM 1459 O LEU A 93 1.440 3.369 -1.308 1.00 0.00 O ATOM 1460 CB LEU A 93 0.111 1.101 -0.057 1.00 0.00 C ATOM 1461 CG LEU A 93 -0.437 2.157 0.899 1.00 0.00 C ATOM 1462 CD1 LEU A 93 -1.957 2.103 0.940 1.00 0.00 C ATOM 1463 CD2 LEU A 93 0.140 1.967 2.294 1.00 0.00 C ATOM 0 H LEU A 93 1.720 0.272 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.025 1.321 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.421 0.166 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.158 0.922 0.188 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.137 3.139 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.330 2.863 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.355 2.289 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.277 1.118 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.263 2.729 2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.129 0.979 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.226 2.056 2.254 1.00 0.00 H new ATOM 1475 N LYS A 94 -0.388 3.597 -2.608 1.00 0.00 N ATOM 1476 CA LYS A 94 -0.111 4.990 -2.957 1.00 0.00 C ATOM 1477 C LYS A 94 -1.144 5.931 -2.342 1.00 0.00 C ATOM 1478 O LYS A 94 -2.333 5.815 -2.621 1.00 0.00 O ATOM 1479 CB LYS A 94 -0.099 5.154 -4.478 1.00 0.00 C ATOM 1480 CG LYS A 94 1.130 4.560 -5.146 1.00 0.00 C ATOM 1481 CD LYS A 94 1.030 4.629 -6.662 1.00 0.00 C ATOM 1482 CE LYS A 94 1.475 5.983 -7.192 1.00 0.00 C ATOM 1483 NZ LYS A 94 2.958 6.073 -7.316 1.00 0.00 N ATOM 0 H LYS A 94 -1.238 3.220 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 94 0.868 5.251 -2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.990 4.683 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.157 6.215 -4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.020 5.095 -4.815 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.248 3.522 -4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.645 3.845 -7.104 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.002 4.438 -6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.018 6.159 -8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.118 6.768 -6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.213 6.955 -7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.387 6.066 -6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.311 5.261 -7.861 1.00 0.00 H new ATOM 1497 N LYS A 95 -0.682 6.868 -1.513 1.00 0.00 N ATOM 1498 CA LYS A 95 -1.572 7.831 -0.864 1.00 0.00 C ATOM 1499 C LYS A 95 -2.408 8.590 -1.896 1.00 0.00 C ATOM 1500 O LYS A 95 -1.914 8.965 -2.962 1.00 0.00 O ATOM 1501 CB LYS A 95 -0.762 8.807 -0.006 1.00 0.00 C ATOM 1502 CG LYS A 95 -1.591 9.919 0.622 1.00 0.00 C ATOM 1503 CD LYS A 95 -1.156 10.221 2.048 1.00 0.00 C ATOM 1504 CE LYS A 95 0.329 10.536 2.137 1.00 0.00 C ATOM 1505 NZ LYS A 95 0.927 10.043 3.408 1.00 0.00 N ATOM 0 H LYS A 95 0.304 6.980 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.256 7.281 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.263 8.249 0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.018 9.254 -0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.503 10.822 0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.643 9.633 0.617 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.729 11.066 2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.384 9.366 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.847 10.082 1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.477 11.613 2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.808 10.561 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.257 10.195 4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.135 9.028 3.323 1.00 0.00 H new ATOM 1519 N ARG A 96 -3.682 8.804 -1.568 1.00 0.00 N ATOM 1520 CA ARG A 96 -4.607 9.505 -2.451 1.00 0.00 C ATOM 1521 C ARG A 96 -4.377 11.017 -2.392 1.00 0.00 C ATOM 1522 O ARG A 96 -5.013 11.726 -1.608 1.00 0.00 O ATOM 1523 CB ARG A 96 -6.050 9.158 -2.065 1.00 0.00 C ATOM 1524 CG ARG A 96 -7.103 9.753 -2.991 1.00 0.00 C ATOM 1525 CD ARG A 96 -7.879 10.873 -2.313 1.00 0.00 C ATOM 1526 NE ARG A 96 -8.518 10.433 -1.067 1.00 0.00 N ATOM 1527 CZ ARG A 96 -8.057 10.709 0.158 1.00 0.00 C ATOM 1528 NH1 ARG A 96 -6.925 11.380 0.324 1.00 0.00 N ATOM 1529 NH2 ARG A 96 -8.729 10.295 1.222 1.00 0.00 N ATOM 0 H ARG A 96 -4.098 8.498 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.428 9.183 -3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.161 8.074 -2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.237 9.506 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.622 10.136 -3.891 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.794 8.971 -3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.204 11.702 -2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.641 11.250 -2.996 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.371 9.879 -1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.394 11.693 -0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.586 11.583 1.264 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.594 9.768 1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.381 10.503 2.158 1.00 0.00 H new ATOM 1543 N THR A 97 -3.460 11.501 -3.229 1.00 0.00 N ATOM 1544 CA THR A 97 -3.138 12.927 -3.282 1.00 0.00 C ATOM 1545 C THR A 97 -2.630 13.323 -4.672 1.00 0.00 C ATOM 1546 O THR A 97 -1.897 12.520 -5.291 1.00 0.00 O ATOM 1547 CB THR A 97 -2.102 13.283 -2.206 1.00 0.00 C ATOM 1548 OG1 THR A 97 -2.091 14.680 -1.963 1.00 0.00 O ATOM 1549 CG2 THR A 97 -0.687 12.869 -2.556 1.00 0.00 C ATOM 1550 OXT THR A 97 -2.976 14.432 -5.130 1.00 0.00 O ATOM 0 H THR A 97 -2.926 10.926 -3.881 1.00 0.00 H new ATOM 0 HA THR A 97 -4.051 13.489 -3.084 1.00 0.00 H new ATOM 0 HB THR A 97 -2.412 12.725 -1.322 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.426 14.887 -1.274 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.014 13.154 -1.748 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.648 11.789 -2.696 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.380 13.366 -3.476 1.00 0.00 H new TER 1558 THR A 97