USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 876 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 43 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.2!) USER MOD Set 1.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 65 ASN : amide:sc= 0 X(o=-0.0069,f=-0.049) USER MOD Set 2.2: A 67 ASN : amide:sc=-0.00694 K(o=-0.0069,f=-2.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0376 (180deg=-0.305) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.142 K(o=-0.14,f=-1.9!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00246 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc= 0.858 F(o=-0.44,f=0.86) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.887 X(o=-0.89,f=-0.66) USER MOD Single : A 31 GLN : amide:sc= 0.0124 X(o=0.012,f=-0.35) USER MOD Single : A 32 GLN : amide:sc= 0.0695 K(o=0.07,f=-2.6) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 129:sc= 1.29 USER MOD Single : A 40 THR OG1 : rot 38:sc= 0.217 USER MOD Single : A 41 THR OG1 : rot 12:sc= -0.569 USER MOD Single : A 49 TYR OH : rot 165:sc= -0.358 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -2.4 K(o=-2.4,f=-3.6!) USER MOD Single : A 81 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.2) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 156:sc= -0.37 (180deg=-0.88) USER MOD Single : A 94 SER OG : rot 96:sc= 0.995 USER MOD Single : A 95 GLN : amide:sc= -0.516 K(o=-0.52,f=-1.4) USER MOD Single : A 99 GLN : amide:sc= -1.77 X(o=-1.8,f=-2) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -3.32 K(o=-3.3,f=-8.2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.833 X(o=-0.83,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.016 -24.808 -49.839 1.00 0.00 N ATOM 2 CA MET A 1 -14.175 -24.159 -49.241 1.00 0.00 C ATOM 3 C MET A 1 -14.637 -24.910 -47.995 1.00 0.00 C ATOM 4 O MET A 1 -14.366 -26.100 -47.840 1.00 0.00 O ATOM 5 CB MET A 1 -15.320 -24.075 -50.252 1.00 0.00 C ATOM 6 CG MET A 1 -15.677 -25.414 -50.877 1.00 0.00 C ATOM 7 SD MET A 1 -17.454 -25.717 -50.899 1.00 0.00 S ATOM 8 CE MET A 1 -17.507 -27.376 -51.574 1.00 0.00 C ATOM 0 H1 MET A 1 -13.073 -24.734 -50.875 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.147 -24.343 -49.506 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.999 -25.811 -49.564 1.00 0.00 H new ATOM 0 HA MET A 1 -13.883 -23.150 -48.949 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.202 -23.667 -49.757 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.046 -23.376 -51.042 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.294 -25.449 -51.897 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.183 -26.212 -50.323 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.543 -27.705 -51.649 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.052 -27.381 -52.565 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.958 -28.053 -50.919 1.00 0.00 H new ATOM 17 N SER A 2 -15.335 -24.206 -47.110 1.00 0.00 N ATOM 18 CA SER A 2 -15.831 -24.805 -45.876 1.00 0.00 C ATOM 19 C SER A 2 -17.342 -24.636 -45.759 1.00 0.00 C ATOM 20 O SER A 2 -17.983 -24.059 -46.638 1.00 0.00 O ATOM 21 CB SER A 2 -15.139 -24.176 -44.664 1.00 0.00 C ATOM 22 OG SER A 2 -14.116 -25.018 -44.165 1.00 0.00 O ATOM 0 H SER A 2 -15.570 -23.220 -47.224 1.00 0.00 H new ATOM 0 HA SER A 2 -15.604 -25.871 -45.902 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.716 -23.211 -44.944 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.873 -23.987 -43.880 1.00 0.00 H new ATOM 0 HG SER A 2 -13.689 -24.592 -43.393 1.00 0.00 H new ATOM 28 N ILE A 3 -17.904 -25.143 -44.667 1.00 0.00 N ATOM 29 CA ILE A 3 -19.340 -25.048 -44.434 1.00 0.00 C ATOM 30 C ILE A 3 -19.635 -24.488 -43.047 1.00 0.00 C ATOM 31 O ILE A 3 -19.861 -25.239 -42.098 1.00 0.00 O ATOM 32 CB ILE A 3 -20.025 -26.419 -44.577 1.00 0.00 C ATOM 33 CG1 ILE A 3 -19.729 -27.020 -45.952 1.00 0.00 C ATOM 34 CG2 ILE A 3 -21.527 -26.286 -44.365 1.00 0.00 C ATOM 35 CD1 ILE A 3 -18.826 -28.233 -45.901 1.00 0.00 C ATOM 0 H ILE A 3 -17.387 -25.623 -43.930 1.00 0.00 H new ATOM 0 HA ILE A 3 -19.739 -24.371 -45.190 1.00 0.00 H new ATOM 0 HB ILE A 3 -19.627 -27.088 -43.814 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -20.669 -27.297 -46.428 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -19.266 -26.259 -46.580 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -21.997 -27.264 -44.469 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -21.720 -25.895 -43.366 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -21.940 -25.604 -45.108 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -18.660 -28.606 -46.912 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -17.871 -27.957 -45.454 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -19.296 -29.012 -45.300 1.00 0.00 H new ATOM 47 N GLU A 4 -19.634 -23.162 -42.935 1.00 0.00 N ATOM 48 CA GLU A 4 -19.903 -22.503 -41.664 1.00 0.00 C ATOM 49 C GLU A 4 -18.986 -23.037 -40.569 1.00 0.00 C ATOM 50 O GLU A 4 -19.430 -23.737 -39.660 1.00 0.00 O ATOM 51 CB GLU A 4 -21.366 -22.699 -41.261 1.00 0.00 C ATOM 52 CG GLU A 4 -22.356 -22.173 -42.287 1.00 0.00 C ATOM 53 CD GLU A 4 -23.795 -22.485 -41.923 1.00 0.00 C ATOM 54 OE1 GLU A 4 -24.182 -23.670 -41.994 1.00 0.00 O ATOM 55 OE2 GLU A 4 -24.533 -21.544 -41.564 1.00 0.00 O ATOM 0 H GLU A 4 -19.450 -22.525 -43.710 1.00 0.00 H new ATOM 0 HA GLU A 4 -19.708 -21.438 -41.789 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -21.551 -23.761 -41.102 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -21.542 -22.198 -40.309 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -22.235 -21.094 -42.383 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -22.129 -22.607 -43.261 1.00 0.00 H new ATOM 62 N ASN A 5 -17.703 -22.701 -40.663 1.00 0.00 N ATOM 63 CA ASN A 5 -16.722 -23.149 -39.681 1.00 0.00 C ATOM 64 C ASN A 5 -15.742 -22.029 -39.343 1.00 0.00 C ATOM 65 O ASN A 5 -14.599 -22.284 -38.960 1.00 0.00 O ATOM 66 CB ASN A 5 -15.960 -24.366 -40.208 1.00 0.00 C ATOM 67 CG ASN A 5 -15.498 -25.285 -39.095 1.00 0.00 C ATOM 68 OD1 ASN A 5 -16.099 -25.332 -38.022 1.00 0.00 O ATOM 69 ND2 ASN A 5 -14.422 -26.023 -39.344 1.00 0.00 N ATOM 0 H ASN A 5 -17.319 -22.121 -41.409 1.00 0.00 H new ATOM 0 HA ASN A 5 -17.256 -23.429 -38.773 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -16.599 -24.923 -40.893 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -15.095 -24.030 -40.780 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -14.064 -26.659 -38.632 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -13.954 -25.953 -40.247 1.00 0.00 H new ATOM 76 N LEU A 6 -16.197 -20.790 -39.484 1.00 0.00 N ATOM 77 CA LEU A 6 -15.362 -19.629 -39.193 1.00 0.00 C ATOM 78 C LEU A 6 -15.810 -18.944 -37.907 1.00 0.00 C ATOM 79 O LEU A 6 -16.973 -19.039 -37.513 1.00 0.00 O ATOM 80 CB LEU A 6 -15.410 -18.636 -40.356 1.00 0.00 C ATOM 81 CG LEU A 6 -14.332 -18.806 -41.428 1.00 0.00 C ATOM 82 CD1 LEU A 6 -14.821 -19.721 -42.539 1.00 0.00 C ATOM 83 CD2 LEU A 6 -13.923 -17.451 -41.990 1.00 0.00 C ATOM 0 H LEU A 6 -17.140 -20.562 -39.798 1.00 0.00 H new ATOM 0 HA LEU A 6 -14.337 -19.975 -39.061 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -16.386 -18.715 -40.835 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -15.335 -17.627 -39.950 1.00 0.00 H new ATOM 0 HG LEU A 6 -13.458 -19.266 -40.968 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -14.040 -19.829 -43.292 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -15.063 -20.699 -42.124 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -15.711 -19.291 -42.999 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -13.155 -17.590 -42.751 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -14.791 -16.964 -42.434 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -13.529 -16.828 -41.187 1.00 0.00 H new ATOM 95 N LYS A 7 -14.880 -18.254 -37.255 1.00 0.00 N ATOM 96 CA LYS A 7 -15.179 -17.549 -36.014 1.00 0.00 C ATOM 97 C LYS A 7 -15.744 -18.506 -34.968 1.00 0.00 C ATOM 98 O LYS A 7 -16.929 -18.450 -34.638 1.00 0.00 O ATOM 99 CB LYS A 7 -16.174 -16.415 -36.274 1.00 0.00 C ATOM 100 CG LYS A 7 -15.657 -15.363 -37.239 1.00 0.00 C ATOM 101 CD LYS A 7 -16.376 -14.036 -37.055 1.00 0.00 C ATOM 102 CE LYS A 7 -15.469 -12.860 -37.384 1.00 0.00 C ATOM 103 NZ LYS A 7 -15.140 -12.801 -38.834 1.00 0.00 N ATOM 0 H LYS A 7 -13.912 -18.168 -37.566 1.00 0.00 H new ATOM 0 HA LYS A 7 -14.250 -17.127 -35.631 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.098 -16.837 -36.670 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.423 -15.936 -35.327 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.587 -15.222 -37.086 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.790 -15.711 -38.263 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -17.258 -14.007 -37.695 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -16.726 -13.950 -36.026 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.955 -11.932 -37.084 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.548 -12.939 -36.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.520 -11.986 -39.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.653 -13.676 -39.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.016 -12.700 -39.385 1.00 0.00 H new ATOM 117 N SER A 8 -14.890 -19.380 -34.450 1.00 0.00 N ATOM 118 CA SER A 8 -15.305 -20.350 -33.442 1.00 0.00 C ATOM 119 C SER A 8 -15.292 -19.726 -32.050 1.00 0.00 C ATOM 120 O SER A 8 -14.389 -18.965 -31.706 1.00 0.00 O ATOM 121 CB SER A 8 -14.386 -21.573 -33.473 1.00 0.00 C ATOM 122 OG SER A 8 -13.105 -21.263 -32.949 1.00 0.00 O ATOM 0 H SER A 8 -13.906 -19.438 -34.711 1.00 0.00 H new ATOM 0 HA SER A 8 -16.324 -20.663 -33.672 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.833 -22.382 -32.895 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.286 -21.931 -34.498 1.00 0.00 H new ATOM 0 HG SER A 8 -12.538 -22.061 -32.978 1.00 0.00 H new ATOM 128 N PHE A 9 -16.305 -20.053 -31.253 1.00 0.00 N ATOM 129 CA PHE A 9 -16.413 -19.526 -29.899 1.00 0.00 C ATOM 130 C PHE A 9 -15.695 -20.431 -28.903 1.00 0.00 C ATOM 131 O PHE A 9 -15.555 -21.633 -29.129 1.00 0.00 O ATOM 132 CB PHE A 9 -17.883 -19.378 -29.502 1.00 0.00 C ATOM 133 CG PHE A 9 -18.513 -18.105 -29.992 1.00 0.00 C ATOM 134 CD1 PHE A 9 -18.234 -16.897 -29.373 1.00 0.00 C ATOM 135 CD2 PHE A 9 -19.382 -18.117 -31.072 1.00 0.00 C ATOM 136 CE1 PHE A 9 -18.812 -15.724 -29.822 1.00 0.00 C ATOM 137 CE2 PHE A 9 -19.962 -16.947 -31.525 1.00 0.00 C ATOM 138 CZ PHE A 9 -19.675 -15.749 -30.900 1.00 0.00 C ATOM 0 H PHE A 9 -17.062 -20.681 -31.523 1.00 0.00 H new ATOM 0 HA PHE A 9 -15.938 -18.545 -29.880 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -18.444 -20.226 -29.895 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -17.963 -19.419 -28.416 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -17.558 -16.872 -28.531 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -19.608 -19.051 -31.565 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -18.589 -14.789 -29.330 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -20.639 -16.969 -32.366 1.00 0.00 H new ATOM 0 HZ PHE A 9 -20.125 -14.833 -31.254 1.00 0.00 H new ATOM 148 N ASP A 10 -15.241 -19.844 -27.801 1.00 0.00 N ATOM 149 CA ASP A 10 -14.536 -20.596 -26.768 1.00 0.00 C ATOM 150 C ASP A 10 -14.969 -20.146 -25.377 1.00 0.00 C ATOM 151 O ASP A 10 -15.519 -19.062 -25.192 1.00 0.00 O ATOM 152 CB ASP A 10 -13.024 -20.426 -26.926 1.00 0.00 C ATOM 153 CG ASP A 10 -12.412 -21.483 -27.824 1.00 0.00 C ATOM 154 OD1 ASP A 10 -12.930 -21.682 -28.943 1.00 0.00 O ATOM 155 OD2 ASP A 10 -11.417 -22.111 -27.407 1.00 0.00 O ATOM 0 H ASP A 10 -15.348 -18.850 -27.600 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.789 -21.650 -26.884 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.814 -19.439 -27.337 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.552 -20.470 -25.944 1.00 0.00 H new ATOM 160 N PRO A 11 -14.719 -21.001 -24.374 1.00 0.00 N ATOM 161 CA PRO A 11 -15.076 -20.715 -22.982 1.00 0.00 C ATOM 162 C PRO A 11 -14.220 -19.605 -22.381 1.00 0.00 C ATOM 163 O PRO A 11 -13.386 -19.011 -23.065 1.00 0.00 O ATOM 164 CB PRO A 11 -14.811 -22.043 -22.266 1.00 0.00 C ATOM 165 CG PRO A 11 -13.785 -22.725 -23.103 1.00 0.00 C ATOM 166 CD PRO A 11 -14.069 -22.314 -24.522 1.00 0.00 C ATOM 0 HA PRO A 11 -16.104 -20.364 -22.889 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.450 -21.880 -21.251 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.720 -22.640 -22.189 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.779 -22.430 -22.805 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.846 -23.807 -22.990 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.154 -22.245 -25.111 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.719 -23.030 -25.025 1.00 0.00 H new ATOM 174 N PHE A 12 -14.431 -19.331 -21.098 1.00 0.00 N ATOM 175 CA PHE A 12 -13.677 -18.293 -20.404 1.00 0.00 C ATOM 176 C PHE A 12 -13.569 -18.603 -18.914 1.00 0.00 C ATOM 177 O PHE A 12 -12.492 -18.507 -18.326 1.00 0.00 O ATOM 178 CB PHE A 12 -14.342 -16.930 -20.607 1.00 0.00 C ATOM 179 CG PHE A 12 -13.422 -15.770 -20.355 1.00 0.00 C ATOM 180 CD1 PHE A 12 -12.277 -15.598 -21.118 1.00 0.00 C ATOM 181 CD2 PHE A 12 -13.700 -14.851 -19.355 1.00 0.00 C ATOM 182 CE1 PHE A 12 -11.428 -14.531 -20.888 1.00 0.00 C ATOM 183 CE2 PHE A 12 -12.854 -13.783 -19.122 1.00 0.00 C ATOM 184 CZ PHE A 12 -11.718 -13.624 -19.889 1.00 0.00 C ATOM 0 H PHE A 12 -15.118 -19.813 -20.518 1.00 0.00 H new ATOM 0 HA PHE A 12 -12.672 -18.266 -20.824 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -14.721 -16.868 -21.627 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -15.202 -16.852 -19.942 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -12.046 -16.305 -21.901 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.587 -14.971 -18.751 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.539 -14.408 -21.489 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.082 -13.074 -18.340 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.056 -12.790 -19.708 1.00 0.00 H new ATOM 194 N ALA A 13 -14.694 -18.971 -18.310 1.00 0.00 N ATOM 195 CA ALA A 13 -14.727 -19.295 -16.889 1.00 0.00 C ATOM 196 C ALA A 13 -14.340 -18.088 -16.040 1.00 0.00 C ATOM 197 O ALA A 13 -14.193 -16.978 -16.554 1.00 0.00 O ATOM 198 CB ALA A 13 -13.802 -20.468 -16.594 1.00 0.00 C ATOM 0 H ALA A 13 -15.594 -19.052 -18.782 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.748 -19.576 -16.630 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.836 -20.700 -15.529 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.125 -21.338 -17.165 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.782 -20.207 -16.876 1.00 0.00 H new ATOM 204 N ASP A 14 -14.178 -18.311 -14.742 1.00 0.00 N ATOM 205 CA ASP A 14 -13.808 -17.242 -13.822 1.00 0.00 C ATOM 206 C ASP A 14 -12.884 -17.762 -12.726 1.00 0.00 C ATOM 207 O ASP A 14 -12.627 -18.963 -12.633 1.00 0.00 O ATOM 208 CB ASP A 14 -15.059 -16.620 -13.199 1.00 0.00 C ATOM 209 CG ASP A 14 -15.037 -15.105 -13.244 1.00 0.00 C ATOM 210 OD1 ASP A 14 -14.191 -14.503 -12.549 1.00 0.00 O ATOM 211 OD2 ASP A 14 -15.866 -14.522 -13.973 1.00 0.00 O ATOM 0 H ASP A 14 -14.297 -19.223 -14.302 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.275 -16.478 -14.388 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.942 -16.983 -13.725 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.147 -16.948 -12.163 1.00 0.00 H new ATOM 216 N THR A 15 -12.385 -16.850 -11.896 1.00 0.00 N ATOM 217 CA THR A 15 -11.488 -17.217 -10.808 1.00 0.00 C ATOM 218 C THR A 15 -12.262 -17.478 -9.521 1.00 0.00 C ATOM 219 O THR A 15 -13.493 -17.448 -9.508 1.00 0.00 O ATOM 220 CB THR A 15 -10.442 -16.116 -10.549 1.00 0.00 C ATOM 221 OG1 THR A 15 -10.503 -15.128 -11.583 1.00 0.00 O ATOM 222 CG2 THR A 15 -9.041 -16.706 -10.486 1.00 0.00 C ATOM 0 H THR A 15 -12.587 -15.852 -11.957 1.00 0.00 H new ATOM 0 HA THR A 15 -10.978 -18.130 -11.113 1.00 0.00 H new ATOM 0 HB THR A 15 -10.667 -15.650 -9.590 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.836 -14.431 -11.409 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.319 -15.910 -10.302 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.990 -17.436 -9.678 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.809 -17.195 -11.432 1.00 0.00 H new ATOM 230 N GLY A 16 -11.534 -17.736 -8.439 1.00 0.00 N ATOM 231 CA GLY A 16 -12.170 -17.999 -7.162 1.00 0.00 C ATOM 232 C GLY A 16 -11.585 -17.165 -6.039 1.00 0.00 C ATOM 233 O GLY A 16 -10.441 -17.374 -5.634 1.00 0.00 O ATOM 0 H GLY A 16 -10.515 -17.768 -8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.238 -17.796 -7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.064 -19.056 -6.918 1.00 0.00 H new ATOM 237 N ASP A 17 -12.368 -16.217 -5.539 1.00 0.00 N ATOM 238 CA ASP A 17 -11.921 -15.347 -4.457 1.00 0.00 C ATOM 239 C ASP A 17 -11.728 -16.139 -3.168 1.00 0.00 C ATOM 240 O ASP A 17 -12.079 -17.317 -3.093 1.00 0.00 O ATOM 241 CB ASP A 17 -12.928 -14.219 -4.231 1.00 0.00 C ATOM 242 CG ASP A 17 -12.287 -12.980 -3.638 1.00 0.00 C ATOM 243 OD1 ASP A 17 -11.458 -12.352 -4.329 1.00 0.00 O ATOM 244 OD2 ASP A 17 -12.615 -12.638 -2.483 1.00 0.00 O ATOM 0 H ASP A 17 -13.316 -16.031 -5.865 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.962 -14.915 -4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.400 -13.962 -5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.718 -14.569 -3.567 1.00 0.00 H new ATOM 249 N ASP A 18 -11.169 -15.486 -2.156 1.00 0.00 N ATOM 250 CA ASP A 18 -10.928 -16.128 -0.869 1.00 0.00 C ATOM 251 C ASP A 18 -10.316 -15.144 0.124 1.00 0.00 C ATOM 252 O ASP A 18 -9.248 -14.586 -0.120 1.00 0.00 O ATOM 253 CB ASP A 18 -10.006 -17.336 -1.043 1.00 0.00 C ATOM 254 CG ASP A 18 -10.603 -18.606 -0.471 1.00 0.00 C ATOM 255 OD1 ASP A 18 -11.145 -18.556 0.653 1.00 0.00 O ATOM 256 OD2 ASP A 18 -10.529 -19.653 -1.150 1.00 0.00 O ATOM 0 H ASP A 18 -10.874 -14.511 -2.202 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.886 -16.465 -0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.798 -17.481 -2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.052 -17.135 -0.556 1.00 0.00 H new ATOM 261 N GLU A 19 -11.004 -14.938 1.242 1.00 0.00 N ATOM 262 CA GLU A 19 -10.528 -14.020 2.271 1.00 0.00 C ATOM 263 C GLU A 19 -10.039 -14.783 3.499 1.00 0.00 C ATOM 264 O GLU A 19 -10.740 -15.650 4.025 1.00 0.00 O ATOM 265 CB GLU A 19 -11.641 -13.048 2.672 1.00 0.00 C ATOM 266 CG GLU A 19 -12.374 -12.441 1.488 1.00 0.00 C ATOM 267 CD GLU A 19 -12.597 -10.949 1.641 1.00 0.00 C ATOM 268 OE1 GLU A 19 -12.916 -10.508 2.766 1.00 0.00 O ATOM 269 OE2 GLU A 19 -12.453 -10.222 0.636 1.00 0.00 O ATOM 0 H GLU A 19 -11.891 -15.393 1.459 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.692 -13.456 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.359 -13.571 3.304 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.213 -12.246 3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.804 -12.628 0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.337 -12.938 1.368 1.00 0.00 H new ATOM 276 N THR A 20 -8.833 -14.456 3.949 1.00 0.00 N ATOM 277 CA THR A 20 -8.248 -15.113 5.113 1.00 0.00 C ATOM 278 C THR A 20 -8.575 -14.353 6.394 1.00 0.00 C ATOM 279 O THR A 20 -9.152 -14.909 7.327 1.00 0.00 O ATOM 280 CB THR A 20 -6.719 -15.236 4.979 1.00 0.00 C ATOM 281 OG1 THR A 20 -6.139 -13.943 4.775 1.00 0.00 O ATOM 282 CG2 THR A 20 -6.350 -16.152 3.822 1.00 0.00 C ATOM 0 H THR A 20 -8.241 -13.741 3.526 1.00 0.00 H new ATOM 0 HA THR A 20 -8.682 -16.112 5.164 1.00 0.00 H new ATOM 0 HB THR A 20 -6.329 -15.666 5.901 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.166 -14.030 4.693 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.265 -16.224 3.747 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.768 -17.144 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.752 -15.746 2.894 1.00 0.00 H new ATOM 290 N ALA A 21 -8.203 -13.078 6.431 1.00 0.00 N ATOM 291 CA ALA A 21 -8.458 -12.240 7.596 1.00 0.00 C ATOM 292 C ALA A 21 -8.193 -10.772 7.287 1.00 0.00 C ATOM 293 O ALA A 21 -7.091 -10.400 6.879 1.00 0.00 O ATOM 294 CB ALA A 21 -7.605 -12.697 8.772 1.00 0.00 C ATOM 0 H ALA A 21 -7.723 -12.602 5.667 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.510 -12.343 7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.806 -12.062 9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.848 -13.731 9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.550 -12.625 8.506 1.00 0.00 H new ATOM 300 N THR A 22 -9.209 -9.936 7.483 1.00 0.00 N ATOM 301 CA THR A 22 -9.087 -8.508 7.224 1.00 0.00 C ATOM 302 C THR A 22 -8.866 -7.731 8.516 1.00 0.00 C ATOM 303 O THR A 22 -9.524 -7.984 9.525 1.00 0.00 O ATOM 304 CB THR A 22 -10.337 -7.958 6.513 1.00 0.00 C ATOM 305 OG1 THR A 22 -11.209 -9.033 6.152 1.00 0.00 O ATOM 306 CG2 THR A 22 -9.951 -7.170 5.270 1.00 0.00 C ATOM 0 H THR A 22 -10.127 -10.225 7.821 1.00 0.00 H new ATOM 0 HA THR A 22 -8.222 -8.377 6.574 1.00 0.00 H new ATOM 0 HB THR A 22 -10.853 -7.289 7.201 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.002 -8.674 5.702 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.851 -6.792 4.785 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.312 -6.333 5.553 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.413 -7.820 4.580 1.00 0.00 H new ATOM 314 N SER A 23 -7.935 -6.783 8.480 1.00 0.00 N ATOM 315 CA SER A 23 -7.625 -5.970 9.649 1.00 0.00 C ATOM 316 C SER A 23 -6.571 -4.919 9.317 1.00 0.00 C ATOM 317 O SER A 23 -6.615 -3.798 9.823 1.00 0.00 O ATOM 318 CB SER A 23 -7.133 -6.856 10.796 1.00 0.00 C ATOM 319 OG SER A 23 -6.137 -7.758 10.352 1.00 0.00 O ATOM 0 H SER A 23 -7.382 -6.559 7.653 1.00 0.00 H new ATOM 0 HA SER A 23 -8.537 -5.459 9.958 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.733 -6.232 11.595 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.971 -7.413 11.215 1.00 0.00 H new ATOM 0 HG SER A 23 -5.838 -8.311 11.104 1.00 0.00 H new ATOM 325 N ASN A 24 -5.623 -5.289 8.461 1.00 0.00 N ATOM 326 CA ASN A 24 -4.557 -4.379 8.061 1.00 0.00 C ATOM 327 C ASN A 24 -3.627 -5.042 7.048 1.00 0.00 C ATOM 328 O ASN A 24 -2.925 -6.001 7.369 1.00 0.00 O ATOM 329 CB ASN A 24 -3.757 -3.927 9.284 1.00 0.00 C ATOM 330 CG ASN A 24 -3.560 -5.045 10.291 1.00 0.00 C ATOM 331 OD1 ASN A 24 -4.119 -4.872 11.483 1.00 0.00 O flip ATOM 332 ND2 ASN A 24 -2.914 -6.052 10.000 1.00 0.00 N flip ATOM 0 H ASN A 24 -5.572 -6.213 8.032 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.015 -3.508 7.592 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.784 -3.556 8.962 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.272 -3.095 9.765 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.502 -6.143 9.071 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.791 -6.795 10.687 1.00 0.00 H new ATOM 339 N TYR A 25 -3.630 -4.524 5.825 1.00 0.00 N ATOM 340 CA TYR A 25 -2.789 -5.065 4.764 1.00 0.00 C ATOM 341 C TYR A 25 -1.482 -4.287 4.653 1.00 0.00 C ATOM 342 O TYR A 25 -0.469 -4.814 4.192 1.00 0.00 O ATOM 343 CB TYR A 25 -3.532 -5.030 3.428 1.00 0.00 C ATOM 344 CG TYR A 25 -3.970 -6.392 2.943 1.00 0.00 C ATOM 345 CD1 TYR A 25 -5.145 -6.972 3.408 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.212 -7.101 2.021 1.00 0.00 C ATOM 347 CE1 TYR A 25 -5.551 -8.217 2.968 1.00 0.00 C ATOM 348 CE2 TYR A 25 -3.610 -8.347 1.573 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.780 -8.901 2.051 1.00 0.00 C ATOM 350 OH TYR A 25 -5.181 -10.141 1.610 1.00 0.00 O ATOM 0 H TYR A 25 -4.205 -3.730 5.544 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.554 -6.099 5.014 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.408 -4.389 3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.888 -4.576 2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.751 -6.440 4.126 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.295 -6.671 1.647 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.467 -8.652 3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.009 -8.883 0.854 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.528 -10.486 0.966 1.00 0.00 H new ATOM 360 N ILE A 26 -1.512 -3.028 5.081 1.00 0.00 N ATOM 361 CA ILE A 26 -0.329 -2.177 5.032 1.00 0.00 C ATOM 362 C ILE A 26 -0.359 -1.133 6.142 1.00 0.00 C ATOM 363 O ILE A 26 -1.299 -0.345 6.246 1.00 0.00 O ATOM 364 CB ILE A 26 -0.208 -1.462 3.673 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.559 -0.875 3.258 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.307 -2.423 2.612 1.00 0.00 C ATOM 367 CD1 ILE A 26 -1.445 0.426 2.496 1.00 0.00 C ATOM 0 H ILE A 26 -2.342 -2.576 5.465 1.00 0.00 H new ATOM 0 HA ILE A 26 0.535 -2.827 5.170 1.00 0.00 H new ATOM 0 HB ILE A 26 0.507 -0.645 3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.088 -1.602 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.164 -0.712 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.387 -1.903 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.288 -2.796 2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.385 -3.260 2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.441 0.783 2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.945 1.169 3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.867 0.265 1.586 1.00 0.00 H new ATOM 379 N HIS A 27 0.680 -1.133 6.973 1.00 0.00 N ATOM 380 CA HIS A 27 0.777 -0.184 8.076 1.00 0.00 C ATOM 381 C HIS A 27 1.525 1.075 7.646 1.00 0.00 C ATOM 382 O HIS A 27 2.514 1.002 6.916 1.00 0.00 O ATOM 383 CB HIS A 27 1.481 -0.827 9.271 1.00 0.00 C ATOM 384 CG HIS A 27 1.783 0.135 10.377 1.00 0.00 C ATOM 385 ND1 HIS A 27 2.917 0.918 10.406 1.00 0.00 N ATOM 386 CD2 HIS A 27 1.089 0.439 11.500 1.00 0.00 C ATOM 387 CE1 HIS A 27 2.909 1.661 11.498 1.00 0.00 C ATOM 388 NE2 HIS A 27 1.811 1.390 12.179 1.00 0.00 N ATOM 0 H HIS A 27 1.466 -1.780 6.903 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.234 0.098 8.369 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.857 -1.631 9.660 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.412 -1.282 8.932 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.144 0.013 11.805 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.671 2.370 11.785 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.542 1.817 13.065 1.00 0.00 H new ATOM 396 N ILE A 28 1.048 2.227 8.105 1.00 0.00 N ATOM 397 CA ILE A 28 1.672 3.500 7.768 1.00 0.00 C ATOM 398 C ILE A 28 1.608 4.471 8.942 1.00 0.00 C ATOM 399 O ILE A 28 0.533 4.935 9.319 1.00 0.00 O ATOM 400 CB ILE A 28 1.002 4.149 6.543 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.493 3.073 5.582 1.00 0.00 C ATOM 402 CG2 ILE A 28 1.977 5.080 5.837 1.00 0.00 C ATOM 403 CD1 ILE A 28 -0.115 3.632 4.315 1.00 0.00 C ATOM 0 H ILE A 28 0.231 2.305 8.711 1.00 0.00 H new ATOM 0 HA ILE A 28 2.715 3.287 7.531 1.00 0.00 H new ATOM 0 HB ILE A 28 0.150 4.737 6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.319 2.413 5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.251 2.463 6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.489 5.531 4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.294 5.864 6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.847 4.513 5.507 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.454 2.812 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.962 4.269 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.633 4.218 3.781 1.00 0.00 H new ATOM 415 N ARG A 29 2.769 4.775 9.514 1.00 0.00 N ATOM 416 CA ARG A 29 2.846 5.692 10.645 1.00 0.00 C ATOM 417 C ARG A 29 3.775 6.862 10.336 1.00 0.00 C ATOM 418 O ARG A 29 4.947 6.667 10.011 1.00 0.00 O ATOM 419 CB ARG A 29 3.336 4.955 11.894 1.00 0.00 C ATOM 420 CG ARG A 29 3.664 5.879 13.056 1.00 0.00 C ATOM 421 CD ARG A 29 5.146 6.217 13.098 1.00 0.00 C ATOM 422 NE ARG A 29 5.540 6.798 14.378 1.00 0.00 N ATOM 423 CZ ARG A 29 6.799 6.876 14.793 1.00 0.00 C ATOM 424 NH1 ARG A 29 7.782 6.414 14.032 1.00 0.00 N ATOM 425 NH2 ARG A 29 7.078 7.419 15.971 1.00 0.00 N ATOM 0 H ARG A 29 3.668 4.400 9.213 1.00 0.00 H new ATOM 0 HA ARG A 29 1.846 6.084 10.830 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.572 4.245 12.210 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.224 4.376 11.639 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.083 6.797 12.968 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.371 5.405 13.993 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.729 5.314 12.915 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.381 6.916 12.295 1.00 0.00 H new ATOM 0 HE ARG A 29 4.808 7.164 14.987 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.572 5.997 13.125 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.748 6.475 14.354 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.325 7.777 16.559 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.045 7.478 16.289 1.00 0.00 H new ATOM 439 N ILE A 30 3.243 8.075 10.437 1.00 0.00 N ATOM 440 CA ILE A 30 4.024 9.276 10.167 1.00 0.00 C ATOM 441 C ILE A 30 4.474 9.940 11.464 1.00 0.00 C ATOM 442 O ILE A 30 3.800 9.844 12.489 1.00 0.00 O ATOM 443 CB ILE A 30 3.224 10.293 9.334 1.00 0.00 C ATOM 444 CG1 ILE A 30 2.034 10.822 10.137 1.00 0.00 C ATOM 445 CG2 ILE A 30 2.752 9.657 8.034 1.00 0.00 C ATOM 446 CD1 ILE A 30 1.215 11.855 9.397 1.00 0.00 C ATOM 0 H ILE A 30 2.275 8.252 10.704 1.00 0.00 H new ATOM 0 HA ILE A 30 4.899 8.962 9.598 1.00 0.00 H new ATOM 0 HB ILE A 30 3.875 11.133 9.091 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.389 9.986 10.409 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.399 11.258 11.067 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.188 10.388 7.455 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.615 9.325 7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.115 8.801 8.258 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.389 12.184 10.027 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.845 12.709 9.149 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.820 11.417 8.480 1.00 0.00 H new ATOM 458 N GLN A 31 5.617 10.617 11.410 1.00 0.00 N ATOM 459 CA GLN A 31 6.157 11.299 12.579 1.00 0.00 C ATOM 460 C GLN A 31 6.946 12.539 12.172 1.00 0.00 C ATOM 461 O GLN A 31 7.776 12.487 11.265 1.00 0.00 O ATOM 462 CB GLN A 31 7.053 10.353 13.381 1.00 0.00 C ATOM 463 CG GLN A 31 8.294 9.905 12.627 1.00 0.00 C ATOM 464 CD GLN A 31 9.574 10.447 13.233 1.00 0.00 C ATOM 465 OE1 GLN A 31 10.216 9.787 14.050 1.00 0.00 O ATOM 466 NE2 GLN A 31 9.950 11.657 12.836 1.00 0.00 N ATOM 0 H GLN A 31 6.186 10.707 10.569 1.00 0.00 H new ATOM 0 HA GLN A 31 5.319 11.612 13.202 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.357 10.849 14.303 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.475 9.474 13.667 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.334 8.816 12.617 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.221 10.231 11.589 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.387 12.169 12.156 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.802 12.075 13.211 1.00 0.00 H new ATOM 475 N GLN A 32 6.679 13.653 12.847 1.00 0.00 N ATOM 476 CA GLN A 32 7.363 14.906 12.552 1.00 0.00 C ATOM 477 C GLN A 32 7.599 15.710 13.827 1.00 0.00 C ATOM 478 O GLN A 32 7.010 15.426 14.869 1.00 0.00 O ATOM 479 CB GLN A 32 6.550 15.734 11.556 1.00 0.00 C ATOM 480 CG GLN A 32 7.225 15.895 10.204 1.00 0.00 C ATOM 481 CD GLN A 32 7.540 17.341 9.877 1.00 0.00 C ATOM 482 OE1 GLN A 32 8.057 18.080 10.714 1.00 0.00 O ATOM 483 NE2 GLN A 32 7.230 17.753 8.652 1.00 0.00 N ATOM 0 H GLN A 32 5.995 13.713 13.601 1.00 0.00 H new ATOM 0 HA GLN A 32 8.330 14.667 12.110 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.577 15.263 11.413 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.367 16.721 11.981 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.147 15.315 10.191 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.579 15.484 9.428 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.802 17.106 7.989 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.420 18.716 8.375 1.00 0.00 H new ATOM 492 N ARG A 33 8.466 16.714 13.736 1.00 0.00 N ATOM 493 CA ARG A 33 8.780 17.558 14.882 1.00 0.00 C ATOM 494 C ARG A 33 8.391 19.008 14.612 1.00 0.00 C ATOM 495 O ARG A 33 8.973 19.932 15.179 1.00 0.00 O ATOM 496 CB ARG A 33 10.273 17.471 15.211 1.00 0.00 C ATOM 497 CG ARG A 33 10.573 17.549 16.698 1.00 0.00 C ATOM 498 CD ARG A 33 11.262 16.286 17.194 1.00 0.00 C ATOM 499 NE ARG A 33 10.442 15.097 16.983 1.00 0.00 N ATOM 500 CZ ARG A 33 10.821 13.872 17.330 1.00 0.00 C ATOM 501 NH1 ARG A 33 12.001 13.677 17.903 1.00 0.00 N ATOM 502 NH2 ARG A 33 10.020 12.839 17.105 1.00 0.00 N ATOM 0 H ARG A 33 8.963 16.962 12.881 1.00 0.00 H new ATOM 0 HA ARG A 33 8.205 17.199 15.735 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.669 16.535 14.817 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.797 18.279 14.700 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.207 18.413 16.898 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.645 17.700 17.250 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.214 16.166 16.678 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.486 16.388 18.256 1.00 0.00 H new ATOM 0 HE ARG A 33 9.528 15.213 16.545 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.620 14.469 18.078 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.290 12.735 18.169 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.111 12.985 16.665 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.313 11.899 17.372 1.00 0.00 H new ATOM 516 N ASN A 34 7.404 19.199 13.743 1.00 0.00 N ATOM 517 CA ASN A 34 6.939 20.537 13.397 1.00 0.00 C ATOM 518 C ASN A 34 8.097 21.415 12.938 1.00 0.00 C ATOM 519 O ASN A 34 8.217 22.568 13.348 1.00 0.00 O ATOM 520 CB ASN A 34 6.239 21.182 14.596 1.00 0.00 C ATOM 521 CG ASN A 34 4.830 20.659 14.793 1.00 0.00 C ATOM 522 OD1 ASN A 34 4.002 20.716 13.884 1.00 0.00 O ATOM 523 ND2 ASN A 34 4.551 20.145 15.987 1.00 0.00 N ATOM 0 H ASN A 34 6.911 18.444 13.266 1.00 0.00 H new ATOM 0 HA ASN A 34 6.229 20.446 12.575 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.822 20.995 15.498 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.206 22.262 14.456 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.619 19.777 16.179 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.269 20.118 16.711 1.00 0.00 H new ATOM 530 N GLY A 35 8.951 20.860 12.082 1.00 0.00 N ATOM 531 CA GLY A 35 10.089 21.607 11.580 1.00 0.00 C ATOM 532 C GLY A 35 10.292 21.423 10.088 1.00 0.00 C ATOM 533 O GLY A 35 9.695 22.136 9.282 1.00 0.00 O ATOM 0 H GLY A 35 8.874 19.907 11.728 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.948 22.666 11.796 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.989 21.290 12.108 1.00 0.00 H new ATOM 537 N ARG A 36 11.138 20.467 9.722 1.00 0.00 N ATOM 538 CA ARG A 36 11.420 20.194 8.318 1.00 0.00 C ATOM 539 C ARG A 36 11.682 18.706 8.096 1.00 0.00 C ATOM 540 O ARG A 36 11.160 18.108 7.155 1.00 0.00 O ATOM 541 CB ARG A 36 12.626 21.009 7.850 1.00 0.00 C ATOM 542 CG ARG A 36 12.382 21.770 6.556 1.00 0.00 C ATOM 543 CD ARG A 36 13.406 22.876 6.358 1.00 0.00 C ATOM 544 NE ARG A 36 12.775 24.180 6.180 1.00 0.00 N ATOM 545 CZ ARG A 36 13.405 25.335 6.371 1.00 0.00 C ATOM 546 NH1 ARG A 36 14.677 25.346 6.744 1.00 0.00 N ATOM 547 NH2 ARG A 36 12.762 26.481 6.188 1.00 0.00 N ATOM 0 H ARG A 36 11.640 19.868 10.378 1.00 0.00 H new ATOM 0 HA ARG A 36 10.546 20.484 7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.901 21.717 8.632 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.475 20.340 7.713 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.423 21.080 5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.380 22.199 6.568 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.073 22.911 7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.021 22.649 5.487 1.00 0.00 H new ATOM 0 HE ARG A 36 11.797 24.207 5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.175 24.467 6.885 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.158 26.234 6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.783 26.476 5.901 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.246 27.367 6.335 1.00 0.00 H new ATOM 561 N LYS A 37 12.491 18.117 8.967 1.00 0.00 N ATOM 562 CA LYS A 37 12.824 16.699 8.867 1.00 0.00 C ATOM 563 C LYS A 37 11.560 15.846 8.840 1.00 0.00 C ATOM 564 O LYS A 37 10.882 15.687 9.855 1.00 0.00 O ATOM 565 CB LYS A 37 13.710 16.279 10.041 1.00 0.00 C ATOM 566 CG LYS A 37 14.866 15.380 9.638 1.00 0.00 C ATOM 567 CD LYS A 37 16.204 15.979 10.040 1.00 0.00 C ATOM 568 CE LYS A 37 17.366 15.173 9.481 1.00 0.00 C ATOM 569 NZ LYS A 37 18.418 14.932 10.506 1.00 0.00 N ATOM 0 H LYS A 37 12.930 18.598 9.752 1.00 0.00 H new ATOM 0 HA LYS A 37 13.368 16.543 7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.106 17.172 10.524 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.098 15.761 10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.748 14.403 10.106 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.846 15.222 8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.266 17.006 9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.275 16.016 11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.998 14.218 9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.800 15.702 8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.192 14.380 10.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.787 15.843 10.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.010 14.405 11.304 1.00 0.00 H new ATOM 583 N THR A 38 11.248 15.297 7.669 1.00 0.00 N ATOM 584 CA THR A 38 10.066 14.460 7.510 1.00 0.00 C ATOM 585 C THR A 38 10.431 12.979 7.555 1.00 0.00 C ATOM 586 O THR A 38 11.403 12.550 6.935 1.00 0.00 O ATOM 587 CB THR A 38 9.343 14.756 6.183 1.00 0.00 C ATOM 588 OG1 THR A 38 9.331 16.168 5.937 1.00 0.00 O ATOM 589 CG2 THR A 38 7.914 14.233 6.215 1.00 0.00 C ATOM 0 H THR A 38 11.798 15.417 6.818 1.00 0.00 H new ATOM 0 HA THR A 38 9.399 14.694 8.340 1.00 0.00 H new ATOM 0 HB THR A 38 9.881 14.250 5.382 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.658 16.345 5.030 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.424 14.454 5.267 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.925 13.155 6.375 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.368 14.715 7.026 1.00 0.00 H new ATOM 597 N LEU A 39 9.643 12.204 8.293 1.00 0.00 N ATOM 598 CA LEU A 39 9.883 10.771 8.419 1.00 0.00 C ATOM 599 C LEU A 39 8.572 9.993 8.362 1.00 0.00 C ATOM 600 O LEU A 39 7.562 10.412 8.930 1.00 0.00 O ATOM 601 CB LEU A 39 10.611 10.469 9.731 1.00 0.00 C ATOM 602 CG LEU A 39 11.113 9.036 9.905 1.00 0.00 C ATOM 603 CD1 LEU A 39 9.966 8.111 10.282 1.00 0.00 C ATOM 604 CD2 LEU A 39 11.794 8.551 8.634 1.00 0.00 C ATOM 0 H LEU A 39 8.834 12.544 8.812 1.00 0.00 H new ATOM 0 HA LEU A 39 10.508 10.457 7.583 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.463 11.144 9.814 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.939 10.700 10.558 1.00 0.00 H new ATOM 0 HG LEU A 39 11.844 9.024 10.713 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.342 7.095 10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.521 8.446 11.219 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.211 8.128 9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.145 7.529 8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.084 8.579 7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.642 9.197 8.406 1.00 0.00 H new ATOM 616 N THR A 40 8.595 8.854 7.675 1.00 0.00 N ATOM 617 CA THR A 40 7.410 8.017 7.544 1.00 0.00 C ATOM 618 C THR A 40 7.775 6.538 7.584 1.00 0.00 C ATOM 619 O THR A 40 8.667 6.088 6.865 1.00 0.00 O ATOM 620 CB THR A 40 6.653 8.313 6.234 1.00 0.00 C ATOM 621 OG1 THR A 40 7.579 8.705 5.213 1.00 0.00 O ATOM 622 CG2 THR A 40 5.623 9.413 6.441 1.00 0.00 C ATOM 0 H THR A 40 9.422 8.491 7.201 1.00 0.00 H new ATOM 0 HA THR A 40 6.763 8.252 8.389 1.00 0.00 H new ATOM 0 HB THR A 40 6.134 7.405 5.926 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.400 8.176 5.295 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.102 9.604 5.503 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.904 9.101 7.199 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.124 10.323 6.770 1.00 0.00 H new ATOM 630 N THR A 41 7.077 5.784 8.428 1.00 0.00 N ATOM 631 CA THR A 41 7.328 4.355 8.561 1.00 0.00 C ATOM 632 C THR A 41 6.266 3.539 7.833 1.00 0.00 C ATOM 633 O THR A 41 5.140 3.997 7.644 1.00 0.00 O ATOM 634 CB THR A 41 7.363 3.926 10.041 1.00 0.00 C ATOM 635 OG1 THR A 41 6.343 4.611 10.774 1.00 0.00 O ATOM 636 CG2 THR A 41 8.722 4.220 10.658 1.00 0.00 C ATOM 0 H THR A 41 6.334 6.140 9.029 1.00 0.00 H new ATOM 0 HA THR A 41 8.302 4.163 8.111 1.00 0.00 H new ATOM 0 HB THR A 41 7.185 2.852 10.089 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.734 5.057 10.149 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.722 3.909 11.703 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.494 3.673 10.116 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.925 5.289 10.598 1.00 0.00 H new ATOM 644 N VAL A 42 6.632 2.327 7.428 1.00 0.00 N ATOM 645 CA VAL A 42 5.709 1.446 6.721 1.00 0.00 C ATOM 646 C VAL A 42 6.023 -0.018 7.003 1.00 0.00 C ATOM 647 O VAL A 42 7.170 -0.379 7.264 1.00 0.00 O ATOM 648 CB VAL A 42 5.758 1.687 5.201 1.00 0.00 C ATOM 649 CG1 VAL A 42 7.104 1.260 4.635 1.00 0.00 C ATOM 650 CG2 VAL A 42 4.622 0.947 4.509 1.00 0.00 C ATOM 0 H VAL A 42 7.561 1.933 7.577 1.00 0.00 H new ATOM 0 HA VAL A 42 4.708 1.676 7.086 1.00 0.00 H new ATOM 0 HB VAL A 42 5.635 2.754 5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.120 1.438 3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.898 1.837 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.260 0.199 4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.671 1.128 3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.713 -0.122 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.667 1.305 4.894 1.00 0.00 H new ATOM 660 N GLN A 43 4.995 -0.860 6.950 1.00 0.00 N ATOM 661 CA GLN A 43 5.162 -2.286 7.201 1.00 0.00 C ATOM 662 C GLN A 43 4.168 -3.102 6.381 1.00 0.00 C ATOM 663 O GLN A 43 3.196 -2.566 5.851 1.00 0.00 O ATOM 664 CB GLN A 43 4.982 -2.589 8.689 1.00 0.00 C ATOM 665 CG GLN A 43 5.536 -3.941 9.107 1.00 0.00 C ATOM 666 CD GLN A 43 4.461 -5.006 9.207 1.00 0.00 C ATOM 667 OE1 GLN A 43 3.321 -4.794 8.797 1.00 0.00 O ATOM 668 NE2 GLN A 43 4.822 -6.161 9.756 1.00 0.00 N ATOM 0 H GLN A 43 4.038 -0.579 6.736 1.00 0.00 H new ATOM 0 HA GLN A 43 6.172 -2.566 6.900 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.472 -1.809 9.272 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.920 -2.550 8.933 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.291 -4.258 8.388 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.036 -3.843 10.071 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.779 -6.293 10.083 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.142 -6.915 9.851 1.00 0.00 H new ATOM 677 N GLY A 44 4.420 -4.405 6.279 1.00 0.00 N ATOM 678 CA GLY A 44 3.540 -5.274 5.521 1.00 0.00 C ATOM 679 C GLY A 44 4.129 -5.671 4.182 1.00 0.00 C ATOM 680 O GLY A 44 3.445 -6.257 3.344 1.00 0.00 O ATOM 0 H GLY A 44 5.218 -4.873 6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.331 -6.172 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.587 -4.770 5.360 1.00 0.00 H new ATOM 684 N VAL A 45 5.403 -5.348 3.979 1.00 0.00 N ATOM 685 CA VAL A 45 6.084 -5.675 2.731 1.00 0.00 C ATOM 686 C VAL A 45 6.195 -7.184 2.544 1.00 0.00 C ATOM 687 O VAL A 45 6.569 -7.922 3.456 1.00 0.00 O ATOM 688 CB VAL A 45 7.495 -5.059 2.685 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.176 -5.384 1.364 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.426 -3.555 2.905 1.00 0.00 C ATOM 0 H VAL A 45 5.984 -4.861 4.662 1.00 0.00 H new ATOM 0 HA VAL A 45 5.484 -5.255 1.924 1.00 0.00 H new ATOM 0 HB VAL A 45 8.090 -5.493 3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.172 -4.941 1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.258 -6.465 1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.586 -4.979 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.431 -3.136 2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.816 -3.101 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.981 -3.350 3.879 1.00 0.00 H new ATOM 700 N PRO A 46 5.862 -7.656 1.334 1.00 0.00 N ATOM 701 CA PRO A 46 5.916 -9.082 0.998 1.00 0.00 C ATOM 702 C PRO A 46 7.346 -9.604 0.915 1.00 0.00 C ATOM 703 O PRO A 46 8.302 -8.845 1.070 1.00 0.00 O ATOM 704 CB PRO A 46 5.243 -9.148 -0.376 1.00 0.00 C ATOM 705 CG PRO A 46 5.439 -7.791 -0.959 1.00 0.00 C ATOM 706 CD PRO A 46 5.408 -6.833 0.200 1.00 0.00 C ATOM 0 HA PRO A 46 5.432 -9.698 1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.696 -9.917 -1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.184 -9.392 -0.287 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.388 -7.729 -1.491 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.654 -7.558 -1.678 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.066 -5.980 0.034 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.407 -6.436 0.367 1.00 0.00 H new ATOM 714 N GLU A 47 7.484 -10.904 0.674 1.00 0.00 N ATOM 715 CA GLU A 47 8.799 -11.527 0.571 1.00 0.00 C ATOM 716 C GLU A 47 9.472 -11.163 -0.748 1.00 0.00 C ATOM 717 O GLU A 47 10.697 -11.078 -0.829 1.00 0.00 O ATOM 718 CB GLU A 47 8.678 -13.046 0.694 1.00 0.00 C ATOM 719 CG GLU A 47 9.893 -13.705 1.326 1.00 0.00 C ATOM 720 CD GLU A 47 9.830 -13.717 2.840 1.00 0.00 C ATOM 721 OE1 GLU A 47 9.053 -12.921 3.409 1.00 0.00 O ATOM 722 OE2 GLU A 47 10.557 -14.524 3.457 1.00 0.00 O ATOM 0 H GLU A 47 6.702 -11.546 0.546 1.00 0.00 H new ATOM 0 HA GLU A 47 9.416 -11.152 1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.796 -13.285 1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.519 -13.471 -0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.977 -14.729 0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.793 -13.179 1.008 1.00 0.00 H new ATOM 729 N GLU A 48 8.662 -10.950 -1.781 1.00 0.00 N ATOM 730 CA GLU A 48 9.180 -10.598 -3.098 1.00 0.00 C ATOM 731 C GLU A 48 9.980 -9.300 -3.038 1.00 0.00 C ATOM 732 O GLU A 48 10.767 -9.001 -3.936 1.00 0.00 O ATOM 733 CB GLU A 48 8.033 -10.457 -4.100 1.00 0.00 C ATOM 734 CG GLU A 48 8.429 -10.788 -5.530 1.00 0.00 C ATOM 735 CD GLU A 48 7.236 -10.868 -6.462 1.00 0.00 C ATOM 736 OE1 GLU A 48 6.246 -10.147 -6.221 1.00 0.00 O ATOM 737 OE2 GLU A 48 7.293 -11.652 -7.432 1.00 0.00 O ATOM 0 H GLU A 48 7.645 -11.015 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 48 9.843 -11.399 -3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.215 -11.111 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.654 -9.436 -4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.121 -10.030 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.961 -11.739 -5.545 1.00 0.00 H new ATOM 744 N TYR A 49 9.770 -8.530 -1.974 1.00 0.00 N ATOM 745 CA TYR A 49 10.468 -7.262 -1.799 1.00 0.00 C ATOM 746 C TYR A 49 11.124 -7.188 -0.424 1.00 0.00 C ATOM 747 O TYR A 49 10.451 -6.987 0.587 1.00 0.00 O ATOM 748 CB TYR A 49 9.499 -6.094 -1.978 1.00 0.00 C ATOM 749 CG TYR A 49 10.099 -4.914 -2.709 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.699 -5.076 -3.952 1.00 0.00 C ATOM 751 CD2 TYR A 49 10.069 -3.639 -2.158 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.250 -4.003 -4.626 1.00 0.00 C ATOM 753 CE2 TYR A 49 10.617 -2.561 -2.824 1.00 0.00 C ATOM 754 CZ TYR A 49 11.206 -2.746 -4.056 1.00 0.00 C ATOM 755 OH TYR A 49 11.754 -1.673 -4.722 1.00 0.00 O ATOM 0 H TYR A 49 9.122 -8.763 -1.221 1.00 0.00 H new ATOM 0 HA TYR A 49 11.248 -7.197 -2.558 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.622 -6.441 -2.525 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.154 -5.766 -0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.735 -6.058 -4.399 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.609 -3.489 -1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.712 -4.146 -5.592 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.584 -1.577 -2.381 1.00 0.00 H new ATOM 0 HH TYR A 49 11.438 -0.839 -4.315 1.00 0.00 H new ATOM 765 N ASP A 50 12.442 -7.352 -0.394 1.00 0.00 N ATOM 766 CA ASP A 50 13.191 -7.303 0.856 1.00 0.00 C ATOM 767 C ASP A 50 13.563 -5.866 1.209 1.00 0.00 C ATOM 768 O ASP A 50 13.257 -4.933 0.465 1.00 0.00 O ATOM 769 CB ASP A 50 14.454 -8.159 0.753 1.00 0.00 C ATOM 770 CG ASP A 50 14.147 -9.644 0.756 1.00 0.00 C ATOM 771 OD1 ASP A 50 13.877 -10.196 -0.331 1.00 0.00 O ATOM 772 OD2 ASP A 50 14.179 -10.253 1.846 1.00 0.00 O ATOM 0 H ASP A 50 13.014 -7.520 -1.222 1.00 0.00 H new ATOM 0 HA ASP A 50 12.556 -7.701 1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.990 -7.903 -0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.117 -7.926 1.586 1.00 0.00 H new ATOM 777 N LEU A 51 14.225 -5.695 2.348 1.00 0.00 N ATOM 778 CA LEU A 51 14.638 -4.371 2.801 1.00 0.00 C ATOM 779 C LEU A 51 15.761 -3.821 1.925 1.00 0.00 C ATOM 780 O LEU A 51 15.939 -2.609 1.814 1.00 0.00 O ATOM 781 CB LEU A 51 15.097 -4.430 4.259 1.00 0.00 C ATOM 782 CG LEU A 51 13.994 -4.343 5.314 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.254 -3.020 5.204 1.00 0.00 C ATOM 784 CD2 LEU A 51 13.028 -5.510 5.172 1.00 0.00 C ATOM 0 H LEU A 51 14.487 -6.456 2.975 1.00 0.00 H new ATOM 0 HA LEU A 51 13.780 -3.703 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.643 -5.361 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.801 -3.616 4.431 1.00 0.00 H new ATOM 0 HG LEU A 51 14.455 -4.397 6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.473 -2.976 5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 51 13.954 -2.198 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.804 -2.936 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.249 -5.432 5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.573 -5.487 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.569 -6.448 5.302 1.00 0.00 H new ATOM 796 N LYS A 52 16.514 -4.722 1.304 1.00 0.00 N ATOM 797 CA LYS A 52 17.616 -4.330 0.434 1.00 0.00 C ATOM 798 C LYS A 52 17.103 -3.908 -0.939 1.00 0.00 C ATOM 799 O LYS A 52 17.668 -3.022 -1.579 1.00 0.00 O ATOM 800 CB LYS A 52 18.612 -5.482 0.286 1.00 0.00 C ATOM 801 CG LYS A 52 19.779 -5.164 -0.634 1.00 0.00 C ATOM 802 CD LYS A 52 21.112 -5.444 0.039 1.00 0.00 C ATOM 803 CE LYS A 52 21.528 -6.898 -0.132 1.00 0.00 C ATOM 804 NZ LYS A 52 22.813 -7.192 0.558 1.00 0.00 N ATOM 0 H LYS A 52 16.381 -5.730 1.387 1.00 0.00 H new ATOM 0 HA LYS A 52 18.120 -3.479 0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.998 -5.746 1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.087 -6.358 -0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.698 -5.758 -1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.734 -4.116 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.878 -4.793 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 52 21.042 -5.207 1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.747 -7.548 0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 52 21.626 -7.125 -1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.061 -8.192 0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.564 -6.590 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.713 -7.000 1.575 1.00 0.00 H new ATOM 818 N ARG A 53 16.026 -4.548 -1.386 1.00 0.00 N ATOM 819 CA ARG A 53 15.438 -4.239 -2.682 1.00 0.00 C ATOM 820 C ARG A 53 14.672 -2.920 -2.631 1.00 0.00 C ATOM 821 O ARG A 53 14.643 -2.169 -3.607 1.00 0.00 O ATOM 822 CB ARG A 53 14.502 -5.367 -3.123 1.00 0.00 C ATOM 823 CG ARG A 53 14.198 -5.359 -4.612 1.00 0.00 C ATOM 824 CD ARG A 53 15.301 -6.033 -5.412 1.00 0.00 C ATOM 825 NE ARG A 53 15.520 -5.384 -6.700 1.00 0.00 N ATOM 826 CZ ARG A 53 14.756 -5.591 -7.767 1.00 0.00 C ATOM 827 NH1 ARG A 53 13.728 -6.425 -7.698 1.00 0.00 N ATOM 828 NH2 ARG A 53 15.018 -4.962 -8.905 1.00 0.00 N ATOM 0 H ARG A 53 15.544 -5.283 -0.869 1.00 0.00 H new ATOM 0 HA ARG A 53 16.247 -4.142 -3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.950 -6.324 -2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.566 -5.289 -2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.252 -5.869 -4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.076 -4.331 -4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.227 -6.017 -4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.043 -7.080 -5.573 1.00 0.00 H new ATOM 0 HE ARG A 53 16.303 -4.736 -6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.522 -6.909 -6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.143 -6.582 -8.519 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.807 -4.318 -8.962 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.430 -5.122 -9.723 1.00 0.00 H new ATOM 842 N ILE A 54 14.051 -2.646 -1.489 1.00 0.00 N ATOM 843 CA ILE A 54 13.286 -1.419 -1.311 1.00 0.00 C ATOM 844 C ILE A 54 14.203 -0.239 -0.998 1.00 0.00 C ATOM 845 O ILE A 54 13.923 0.897 -1.382 1.00 0.00 O ATOM 846 CB ILE A 54 12.250 -1.560 -0.181 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.369 -0.311 -0.107 1.00 0.00 C ATOM 848 CG2 ILE A 54 12.946 -1.803 1.151 1.00 0.00 C ATOM 849 CD1 ILE A 54 9.904 -0.617 0.110 1.00 0.00 C ATOM 0 H ILE A 54 14.063 -3.258 -0.673 1.00 0.00 H new ATOM 0 HA ILE A 54 12.765 -1.234 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 54 11.614 -2.418 -0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.723 0.326 0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.480 0.257 -1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.199 -1.900 1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.534 -2.719 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.604 -0.964 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.340 0.315 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.534 -1.228 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.780 -1.159 1.048 1.00 0.00 H new ATOM 861 N LEU A 55 15.299 -0.518 -0.302 1.00 0.00 N ATOM 862 CA LEU A 55 16.260 0.519 0.060 1.00 0.00 C ATOM 863 C LEU A 55 17.134 0.891 -1.133 1.00 0.00 C ATOM 864 O LEU A 55 17.595 2.027 -1.247 1.00 0.00 O ATOM 865 CB LEU A 55 17.135 0.048 1.222 1.00 0.00 C ATOM 866 CG LEU A 55 18.095 1.086 1.804 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.273 0.871 3.298 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.438 1.030 1.091 1.00 0.00 C ATOM 0 H LEU A 55 15.545 -1.453 0.023 1.00 0.00 H new ATOM 0 HA LEU A 55 15.704 1.404 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.483 -0.303 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.719 -0.809 0.887 1.00 0.00 H new ATOM 0 HG LEU A 55 17.666 2.076 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 55 18.960 1.619 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.308 0.964 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 55 18.679 -0.125 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.108 1.776 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 55 19.874 0.038 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.296 1.236 0.030 1.00 0.00 H new ATOM 880 N LYS A 56 17.358 -0.072 -2.019 1.00 0.00 N ATOM 881 CA LYS A 56 18.174 0.153 -3.205 1.00 0.00 C ATOM 882 C LYS A 56 17.372 0.866 -4.291 1.00 0.00 C ATOM 883 O LYS A 56 17.888 1.743 -4.984 1.00 0.00 O ATOM 884 CB LYS A 56 18.710 -1.176 -3.742 1.00 0.00 C ATOM 885 CG LYS A 56 19.617 -1.023 -4.950 1.00 0.00 C ATOM 886 CD LYS A 56 20.621 -2.160 -5.042 1.00 0.00 C ATOM 887 CE LYS A 56 20.052 -3.348 -5.803 1.00 0.00 C ATOM 888 NZ LYS A 56 20.658 -3.481 -7.156 1.00 0.00 N ATOM 0 H LYS A 56 16.985 -1.018 -1.938 1.00 0.00 H new ATOM 0 HA LYS A 56 19.013 0.788 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.258 -1.684 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.869 -1.816 -4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.014 -0.995 -5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.147 -0.072 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.526 -1.808 -5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.909 -2.474 -4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.228 -4.261 -5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 56 18.972 -3.235 -5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 20.244 -4.302 -7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 20.469 -2.620 -7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 21.685 -3.614 -7.065 1.00 0.00 H new ATOM 902 N VAL A 57 16.107 0.483 -4.432 1.00 0.00 N ATOM 903 CA VAL A 57 15.233 1.087 -5.431 1.00 0.00 C ATOM 904 C VAL A 57 14.804 2.489 -5.011 1.00 0.00 C ATOM 905 O VAL A 57 14.719 3.398 -5.837 1.00 0.00 O ATOM 906 CB VAL A 57 13.978 0.227 -5.672 1.00 0.00 C ATOM 907 CG1 VAL A 57 12.992 0.960 -6.570 1.00 0.00 C ATOM 908 CG2 VAL A 57 14.359 -1.118 -6.270 1.00 0.00 C ATOM 0 H VAL A 57 15.665 -0.242 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 57 15.805 1.148 -6.357 1.00 0.00 H new ATOM 0 HB VAL A 57 13.494 0.047 -4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.112 0.337 -6.729 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.694 1.895 -6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.463 1.174 -7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.459 -1.712 -6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.868 -0.962 -7.221 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.023 -1.646 -5.585 1.00 0.00 H new ATOM 918 N LEU A 58 14.535 2.657 -3.720 1.00 0.00 N ATOM 919 CA LEU A 58 14.115 3.948 -3.188 1.00 0.00 C ATOM 920 C LEU A 58 15.268 4.947 -3.209 1.00 0.00 C ATOM 921 O LEU A 58 15.100 6.099 -3.612 1.00 0.00 O ATOM 922 CB LEU A 58 13.590 3.788 -1.761 1.00 0.00 C ATOM 923 CG LEU A 58 12.187 3.194 -1.624 1.00 0.00 C ATOM 924 CD1 LEU A 58 11.888 2.859 -0.170 1.00 0.00 C ATOM 925 CD2 LEU A 58 11.145 4.154 -2.178 1.00 0.00 C ATOM 0 H LEU A 58 14.601 1.915 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 58 13.315 4.331 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.286 3.157 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.597 4.767 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 58 12.146 2.272 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.886 2.438 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.616 2.133 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.948 3.766 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.153 3.715 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.187 5.094 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.348 4.342 -3.232 1.00 0.00 H new ATOM 937 N LYS A 59 16.441 4.499 -2.775 1.00 0.00 N ATOM 938 CA LYS A 59 17.624 5.349 -2.746 1.00 0.00 C ATOM 939 C LYS A 59 18.095 5.674 -4.159 1.00 0.00 C ATOM 940 O LYS A 59 18.646 6.746 -4.412 1.00 0.00 O ATOM 941 CB LYS A 59 18.750 4.668 -1.966 1.00 0.00 C ATOM 942 CG LYS A 59 18.528 4.656 -0.463 1.00 0.00 C ATOM 943 CD LYS A 59 19.393 5.690 0.236 1.00 0.00 C ATOM 944 CE LYS A 59 20.564 5.041 0.958 1.00 0.00 C ATOM 945 NZ LYS A 59 21.831 5.794 0.746 1.00 0.00 N ATOM 0 H LYS A 59 16.597 3.549 -2.438 1.00 0.00 H new ATOM 0 HA LYS A 59 17.358 6.281 -2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.855 3.642 -2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 59 19.690 5.177 -2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.478 4.853 -0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.753 3.665 -0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.767 6.407 -0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.788 6.249 0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 59 20.348 4.986 2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 59 20.686 4.017 0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 22.605 5.320 1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 22.051 5.825 -0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 21.723 6.764 1.106 1.00 0.00 H new ATOM 959 N LYS A 60 17.873 4.742 -5.081 1.00 0.00 N ATOM 960 CA LYS A 60 18.273 4.928 -6.471 1.00 0.00 C ATOM 961 C LYS A 60 17.234 5.749 -7.230 1.00 0.00 C ATOM 962 O LYS A 60 17.566 6.467 -8.174 1.00 0.00 O ATOM 963 CB LYS A 60 18.465 3.573 -7.154 1.00 0.00 C ATOM 964 CG LYS A 60 19.006 3.677 -8.570 1.00 0.00 C ATOM 965 CD LYS A 60 20.525 3.689 -8.587 1.00 0.00 C ATOM 966 CE LYS A 60 21.081 2.569 -9.453 1.00 0.00 C ATOM 967 NZ LYS A 60 22.498 2.259 -9.116 1.00 0.00 N ATOM 0 H LYS A 60 17.418 3.850 -4.890 1.00 0.00 H new ATOM 0 HA LYS A 60 19.219 5.470 -6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.147 2.968 -6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 60 17.510 3.048 -7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 60 18.641 2.838 -9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 60 18.629 4.586 -9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 60 20.878 4.650 -8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 60 20.902 3.585 -7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 60 20.473 1.674 -9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 60 21.011 2.853 -10.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 22.840 1.491 -9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 23.083 3.106 -9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 22.562 1.963 -8.121 1.00 0.00 H new ATOM 981 N ASP A 61 15.978 5.639 -6.811 1.00 0.00 N ATOM 982 CA ASP A 61 14.892 6.373 -7.448 1.00 0.00 C ATOM 983 C ASP A 61 15.004 7.868 -7.162 1.00 0.00 C ATOM 984 O ASP A 61 15.247 8.667 -8.066 1.00 0.00 O ATOM 985 CB ASP A 61 13.540 5.849 -6.964 1.00 0.00 C ATOM 986 CG ASP A 61 12.962 4.797 -7.891 1.00 0.00 C ATOM 987 OD1 ASP A 61 13.732 3.937 -8.366 1.00 0.00 O ATOM 988 OD2 ASP A 61 11.739 4.834 -8.139 1.00 0.00 O ATOM 0 H ASP A 61 15.687 5.048 -6.032 1.00 0.00 H new ATOM 0 HA ASP A 61 14.967 6.221 -8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.653 5.427 -5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.840 6.680 -6.881 1.00 0.00 H new ATOM 993 N PHE A 62 14.825 8.238 -5.898 1.00 0.00 N ATOM 994 CA PHE A 62 14.903 9.636 -5.493 1.00 0.00 C ATOM 995 C PHE A 62 15.614 9.774 -4.150 1.00 0.00 C ATOM 996 O PHE A 62 15.255 10.618 -3.329 1.00 0.00 O ATOM 997 CB PHE A 62 13.502 10.244 -5.406 1.00 0.00 C ATOM 998 CG PHE A 62 12.833 10.405 -6.741 1.00 0.00 C ATOM 999 CD1 PHE A 62 13.066 11.530 -7.516 1.00 0.00 C ATOM 1000 CD2 PHE A 62 11.975 9.432 -7.223 1.00 0.00 C ATOM 1001 CE1 PHE A 62 12.452 11.681 -8.744 1.00 0.00 C ATOM 1002 CE2 PHE A 62 11.357 9.576 -8.452 1.00 0.00 C ATOM 1003 CZ PHE A 62 11.597 10.703 -9.214 1.00 0.00 C ATOM 0 H PHE A 62 14.625 7.589 -5.137 1.00 0.00 H new ATOM 0 HA PHE A 62 15.478 10.174 -6.246 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.880 9.613 -4.771 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.567 11.218 -4.922 1.00 0.00 H new ATOM 0 HD1 PHE A 62 13.735 12.297 -7.156 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.785 8.548 -6.632 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.640 12.564 -9.337 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.689 8.809 -8.815 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.117 10.819 -10.175 1.00 0.00 H new ATOM 1013 N ALA A 63 16.624 8.937 -3.934 1.00 0.00 N ATOM 1014 CA ALA A 63 17.386 8.966 -2.692 1.00 0.00 C ATOM 1015 C ALA A 63 16.463 8.917 -1.480 1.00 0.00 C ATOM 1016 O ALA A 63 16.499 9.801 -0.623 1.00 0.00 O ATOM 1017 CB ALA A 63 18.263 10.209 -2.638 1.00 0.00 C ATOM 0 H ALA A 63 16.933 8.231 -4.603 1.00 0.00 H new ATOM 0 HA ALA A 63 18.024 8.083 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.826 10.217 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.956 10.202 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.636 11.099 -2.691 1.00 0.00 H new ATOM 1023 N CYS A 64 15.636 7.879 -1.413 1.00 0.00 N ATOM 1024 CA CYS A 64 14.701 7.716 -0.306 1.00 0.00 C ATOM 1025 C CYS A 64 15.213 6.680 0.689 1.00 0.00 C ATOM 1026 O CYS A 64 14.980 5.483 0.528 1.00 0.00 O ATOM 1027 CB CYS A 64 13.325 7.302 -0.829 1.00 0.00 C ATOM 1028 SG CYS A 64 12.153 8.670 -0.987 1.00 0.00 S ATOM 0 H CYS A 64 15.594 7.138 -2.113 1.00 0.00 H new ATOM 0 HA CYS A 64 14.613 8.674 0.207 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.446 6.827 -1.803 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.904 6.552 -0.159 1.00 0.00 H new ATOM 0 HG CYS A 64 11.020 8.221 -1.438 1.00 0.00 H new ATOM 1034 N ASN A 65 15.913 7.149 1.717 1.00 0.00 N ATOM 1035 CA ASN A 65 16.460 6.262 2.738 1.00 0.00 C ATOM 1036 C ASN A 65 15.383 5.332 3.284 1.00 0.00 C ATOM 1037 O ASN A 65 14.522 5.747 4.060 1.00 0.00 O ATOM 1038 CB ASN A 65 17.071 7.080 3.877 1.00 0.00 C ATOM 1039 CG ASN A 65 18.579 6.939 3.947 1.00 0.00 C ATOM 1040 OD1 ASN A 65 19.102 5.851 4.194 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.287 8.041 3.728 1.00 0.00 N ATOM 0 H ASN A 65 16.115 8.138 1.865 1.00 0.00 H new ATOM 0 HA ASN A 65 17.239 5.654 2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.813 8.131 3.745 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.635 6.761 4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.306 8.007 3.761 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.812 8.921 3.527 1.00 0.00 H new ATOM 1048 N GLY A 66 15.435 4.068 2.875 1.00 0.00 N ATOM 1049 CA GLY A 66 14.459 3.096 3.333 1.00 0.00 C ATOM 1050 C GLY A 66 15.083 1.998 4.170 1.00 0.00 C ATOM 1051 O GLY A 66 15.331 0.899 3.678 1.00 0.00 O ATOM 0 H GLY A 66 16.137 3.699 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.692 3.604 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.960 2.653 2.471 1.00 0.00 H new ATOM 1055 N ASN A 67 15.338 2.297 5.440 1.00 0.00 N ATOM 1056 CA ASN A 67 15.940 1.325 6.347 1.00 0.00 C ATOM 1057 C ASN A 67 14.866 0.550 7.103 1.00 0.00 C ATOM 1058 O ASN A 67 13.671 0.748 6.883 1.00 0.00 O ATOM 1059 CB ASN A 67 16.868 2.029 7.339 1.00 0.00 C ATOM 1060 CG ASN A 67 17.595 3.206 6.716 1.00 0.00 C ATOM 1061 OD1 ASN A 67 18.210 3.079 5.656 1.00 0.00 O ATOM 1062 ND2 ASN A 67 17.527 4.359 7.371 1.00 0.00 N ATOM 0 H ASN A 67 15.138 3.203 5.864 1.00 0.00 H new ATOM 0 HA ASN A 67 16.521 0.621 5.752 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.286 2.376 8.193 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.598 1.314 7.719 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.996 5.185 6.999 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.006 4.419 8.246 1.00 0.00 H new ATOM 1069 N ILE A 68 15.299 -0.335 7.994 1.00 0.00 N ATOM 1070 CA ILE A 68 14.376 -1.140 8.784 1.00 0.00 C ATOM 1071 C ILE A 68 14.590 -0.918 10.277 1.00 0.00 C ATOM 1072 O ILE A 68 15.679 -0.540 10.710 1.00 0.00 O ATOM 1073 CB ILE A 68 14.528 -2.641 8.472 1.00 0.00 C ATOM 1074 CG1 ILE A 68 13.300 -3.412 8.959 1.00 0.00 C ATOM 1075 CG2 ILE A 68 15.793 -3.189 9.115 1.00 0.00 C ATOM 1076 CD1 ILE A 68 13.319 -4.877 8.583 1.00 0.00 C ATOM 0 H ILE A 68 16.285 -0.513 8.187 1.00 0.00 H new ATOM 0 HA ILE A 68 13.369 -0.821 8.513 1.00 0.00 H new ATOM 0 HB ILE A 68 14.608 -2.767 7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.232 -3.324 10.043 1.00 0.00 H new ATOM 0 HG13 ILE A 68 12.403 -2.950 8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.887 -4.251 8.886 1.00 0.00 H new ATOM 0 HG22 ILE A 68 16.660 -2.655 8.725 1.00 0.00 H new ATOM 0 HG23 ILE A 68 15.740 -3.054 10.195 1.00 0.00 H new ATOM 0 HD11 ILE A 68 12.418 -5.361 8.960 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.355 -4.974 7.498 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.197 -5.353 9.019 1.00 0.00 H new ATOM 1088 N VAL A 69 13.545 -1.157 11.062 1.00 0.00 N ATOM 1089 CA VAL A 69 13.618 -0.986 12.508 1.00 0.00 C ATOM 1090 C VAL A 69 12.842 -2.080 13.232 1.00 0.00 C ATOM 1091 O VAL A 69 12.088 -2.833 12.615 1.00 0.00 O ATOM 1092 CB VAL A 69 13.072 0.388 12.939 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.735 0.846 14.230 1.00 0.00 C ATOM 1094 CG2 VAL A 69 13.274 1.413 11.834 1.00 0.00 C ATOM 0 H VAL A 69 12.636 -1.470 10.720 1.00 0.00 H new ATOM 0 HA VAL A 69 14.671 -1.052 12.781 1.00 0.00 H new ATOM 0 HB VAL A 69 12.002 0.292 13.122 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.336 1.819 14.519 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.533 0.122 15.020 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.811 0.926 14.078 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.882 2.378 12.156 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.338 1.508 11.616 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.747 1.089 10.936 1.00 0.00 H new ATOM 1104 N LYS A 70 13.030 -2.162 14.544 1.00 0.00 N ATOM 1105 CA LYS A 70 12.344 -3.163 15.355 1.00 0.00 C ATOM 1106 C LYS A 70 11.523 -2.501 16.457 1.00 0.00 C ATOM 1107 O LYS A 70 12.074 -1.934 17.400 1.00 0.00 O ATOM 1108 CB LYS A 70 13.358 -4.130 15.969 1.00 0.00 C ATOM 1109 CG LYS A 70 12.775 -5.002 17.069 1.00 0.00 C ATOM 1110 CD LYS A 70 13.825 -5.930 17.660 1.00 0.00 C ATOM 1111 CE LYS A 70 14.775 -5.180 18.581 1.00 0.00 C ATOM 1112 NZ LYS A 70 14.970 -5.891 19.875 1.00 0.00 N ATOM 0 H LYS A 70 13.652 -1.548 15.070 1.00 0.00 H new ATOM 0 HA LYS A 70 11.666 -3.719 14.707 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.760 -4.770 15.183 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.194 -3.559 16.373 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.362 -4.370 17.855 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.950 -5.592 16.669 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.335 -6.730 18.214 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.391 -6.400 16.856 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.738 -5.056 18.086 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.383 -4.181 18.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.624 -5.348 20.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.055 -5.987 20.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.368 -6.835 19.696 1.00 0.00 H new ATOM 1126 N ASP A 71 10.203 -2.579 16.332 1.00 0.00 N ATOM 1127 CA ASP A 71 9.305 -1.990 17.318 1.00 0.00 C ATOM 1128 C ASP A 71 8.760 -3.058 18.263 1.00 0.00 C ATOM 1129 O ASP A 71 8.756 -4.250 17.955 1.00 0.00 O ATOM 1130 CB ASP A 71 8.150 -1.269 16.623 1.00 0.00 C ATOM 1131 CG ASP A 71 8.439 0.202 16.396 1.00 0.00 C ATOM 1132 OD1 ASP A 71 9.421 0.512 15.690 1.00 0.00 O ATOM 1133 OD2 ASP A 71 7.681 1.044 16.925 1.00 0.00 O ATOM 0 H ASP A 71 9.731 -3.045 15.557 1.00 0.00 H new ATOM 0 HA ASP A 71 9.873 -1.267 17.904 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.950 -1.749 15.665 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.247 -1.370 17.225 1.00 0.00 H new ATOM 1138 N PRO A 72 8.289 -2.622 19.441 1.00 0.00 N ATOM 1139 CA PRO A 72 7.734 -3.524 20.454 1.00 0.00 C ATOM 1140 C PRO A 72 6.395 -4.120 20.027 1.00 0.00 C ATOM 1141 O PRO A 72 5.855 -4.996 20.701 1.00 0.00 O ATOM 1142 CB PRO A 72 7.552 -2.618 21.674 1.00 0.00 C ATOM 1143 CG PRO A 72 7.405 -1.247 21.109 1.00 0.00 C ATOM 1144 CD PRO A 72 8.262 -1.215 19.874 1.00 0.00 C ATOM 0 HA PRO A 72 8.382 -4.381 20.636 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.673 -2.904 22.252 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.409 -2.680 22.345 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.364 -1.034 20.867 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.726 -0.492 21.827 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.838 -0.567 19.107 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.263 -0.841 20.089 1.00 0.00 H new ATOM 1152 N GLU A 73 5.869 -3.638 18.907 1.00 0.00 N ATOM 1153 CA GLU A 73 4.593 -4.124 18.393 1.00 0.00 C ATOM 1154 C GLU A 73 4.801 -5.316 17.463 1.00 0.00 C ATOM 1155 O GLU A 73 3.952 -6.204 17.375 1.00 0.00 O ATOM 1156 CB GLU A 73 3.858 -3.006 17.652 1.00 0.00 C ATOM 1157 CG GLU A 73 2.380 -3.287 17.436 1.00 0.00 C ATOM 1158 CD GLU A 73 1.500 -2.597 18.461 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.603 -2.938 19.658 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.710 -1.716 18.066 1.00 0.00 O ATOM 0 H GLU A 73 6.305 -2.912 18.338 1.00 0.00 H new ATOM 0 HA GLU A 73 3.987 -4.447 19.240 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.964 -2.078 18.214 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.334 -2.849 16.684 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.094 -2.959 16.437 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.208 -4.362 17.480 1.00 0.00 H new ATOM 1167 N MET A 74 5.935 -5.328 16.769 1.00 0.00 N ATOM 1168 CA MET A 74 6.253 -6.412 15.846 1.00 0.00 C ATOM 1169 C MET A 74 7.759 -6.634 15.770 1.00 0.00 C ATOM 1170 O MET A 74 8.265 -7.676 16.185 1.00 0.00 O ATOM 1171 CB MET A 74 5.700 -6.103 14.453 1.00 0.00 C ATOM 1172 CG MET A 74 5.152 -7.323 13.732 1.00 0.00 C ATOM 1173 SD MET A 74 3.524 -7.035 13.015 1.00 0.00 S ATOM 1174 CE MET A 74 3.261 -8.574 12.139 1.00 0.00 C ATOM 0 H MET A 74 6.648 -4.601 16.828 1.00 0.00 H new ATOM 0 HA MET A 74 5.787 -7.324 16.219 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.909 -5.358 14.542 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.490 -5.658 13.848 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.845 -7.615 12.943 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.094 -8.157 14.431 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.291 -8.549 11.642 1.00 0.00 H new ATOM 0 HE2 MET A 74 4.047 -8.708 11.395 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.285 -9.404 12.846 1.00 0.00 H new ATOM 1184 N GLY A 75 8.474 -5.648 15.234 1.00 0.00 N ATOM 1185 CA GLY A 75 9.916 -5.757 15.114 1.00 0.00 C ATOM 1186 C GLY A 75 10.375 -5.792 13.670 1.00 0.00 C ATOM 1187 O GLY A 75 11.363 -6.448 13.342 1.00 0.00 O ATOM 0 H GLY A 75 8.080 -4.776 14.881 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.385 -4.914 15.621 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.253 -6.661 15.621 1.00 0.00 H new ATOM 1191 N GLU A 76 9.655 -5.085 12.803 1.00 0.00 N ATOM 1192 CA GLU A 76 9.994 -5.040 11.387 1.00 0.00 C ATOM 1193 C GLU A 76 9.415 -3.792 10.726 1.00 0.00 C ATOM 1194 O GLU A 76 8.929 -3.843 9.597 1.00 0.00 O ATOM 1195 CB GLU A 76 9.476 -6.293 10.676 1.00 0.00 C ATOM 1196 CG GLU A 76 10.487 -6.917 9.728 1.00 0.00 C ATOM 1197 CD GLU A 76 9.880 -8.001 8.859 1.00 0.00 C ATOM 1198 OE1 GLU A 76 8.807 -8.524 9.226 1.00 0.00 O ATOM 1199 OE2 GLU A 76 10.477 -8.327 7.812 1.00 0.00 O ATOM 0 H GLU A 76 8.834 -4.536 13.058 1.00 0.00 H new ATOM 0 HA GLU A 76 11.080 -5.004 11.302 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.188 -7.032 11.424 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.576 -6.037 10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.910 -6.140 9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.310 -7.338 10.306 1.00 0.00 H new ATOM 1206 N ILE A 77 9.470 -2.673 11.442 1.00 0.00 N ATOM 1207 CA ILE A 77 8.951 -1.412 10.927 1.00 0.00 C ATOM 1208 C ILE A 77 9.931 -0.775 9.948 1.00 0.00 C ATOM 1209 O ILE A 77 10.944 -0.202 10.350 1.00 0.00 O ATOM 1210 CB ILE A 77 8.661 -0.415 12.065 1.00 0.00 C ATOM 1211 CG1 ILE A 77 7.689 -1.031 13.075 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.099 0.881 11.503 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.359 -1.424 12.470 1.00 0.00 C ATOM 0 H ILE A 77 9.868 -2.614 12.379 1.00 0.00 H new ATOM 0 HA ILE A 77 8.019 -1.642 10.410 1.00 0.00 H new ATOM 0 HB ILE A 77 9.595 -0.189 12.579 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.151 -1.912 13.521 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.516 -0.319 13.882 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.899 1.575 12.319 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.822 1.324 10.818 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.172 0.674 10.968 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.721 -1.853 13.242 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.876 -0.542 12.049 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.521 -2.160 11.683 1.00 0.00 H new ATOM 1225 N ILE A 78 9.621 -0.876 8.659 1.00 0.00 N ATOM 1226 CA ILE A 78 10.471 -0.305 7.622 1.00 0.00 C ATOM 1227 C ILE A 78 10.423 1.219 7.646 1.00 0.00 C ATOM 1228 O ILE A 78 9.442 1.824 7.213 1.00 0.00 O ATOM 1229 CB ILE A 78 10.059 -0.799 6.222 1.00 0.00 C ATOM 1230 CG1 ILE A 78 9.966 -2.326 6.203 1.00 0.00 C ATOM 1231 CG2 ILE A 78 11.050 -0.311 5.175 1.00 0.00 C ATOM 1232 CD1 ILE A 78 8.574 -2.843 5.916 1.00 0.00 C ATOM 0 H ILE A 78 8.787 -1.348 8.309 1.00 0.00 H new ATOM 0 HA ILE A 78 11.488 -0.636 7.831 1.00 0.00 H new ATOM 0 HB ILE A 78 9.077 -0.391 5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.651 -2.714 5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.298 -2.714 7.166 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.745 -0.668 4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.072 0.779 5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.044 -0.694 5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.583 -3.933 5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.887 -2.484 6.683 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.247 -2.485 4.940 1.00 0.00 H new ATOM 1244 N GLN A 79 11.488 1.831 8.152 1.00 0.00 N ATOM 1245 CA GLN A 79 11.566 3.284 8.230 1.00 0.00 C ATOM 1246 C GLN A 79 11.972 3.882 6.888 1.00 0.00 C ATOM 1247 O GLN A 79 12.985 3.492 6.303 1.00 0.00 O ATOM 1248 CB GLN A 79 12.565 3.705 9.311 1.00 0.00 C ATOM 1249 CG GLN A 79 13.997 3.297 9.007 1.00 0.00 C ATOM 1250 CD GLN A 79 14.944 3.598 10.152 1.00 0.00 C ATOM 1251 OE1 GLN A 79 15.776 2.767 10.519 1.00 0.00 O ATOM 1252 NE2 GLN A 79 14.824 4.791 10.723 1.00 0.00 N ATOM 0 H GLN A 79 12.308 1.344 8.514 1.00 0.00 H new ATOM 0 HA GLN A 79 10.577 3.661 8.490 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.522 4.787 9.432 1.00 0.00 H new ATOM 0 HB3 GLN A 79 12.265 3.266 10.262 1.00 0.00 H new ATOM 0 HG2 GLN A 79 14.028 2.230 8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 79 14.337 3.818 8.112 1.00 0.00 H new ATOM 0 HE21 GLN A 79 14.121 5.449 10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 79 15.435 5.049 11.498 1.00 0.00 H new ATOM 1261 N LEU A 80 11.176 4.829 6.402 1.00 0.00 N ATOM 1262 CA LEU A 80 11.453 5.480 5.127 1.00 0.00 C ATOM 1263 C LEU A 80 11.473 6.997 5.283 1.00 0.00 C ATOM 1264 O LEU A 80 10.444 7.616 5.552 1.00 0.00 O ATOM 1265 CB LEU A 80 10.404 5.076 4.088 1.00 0.00 C ATOM 1266 CG LEU A 80 10.936 4.740 2.693 1.00 0.00 C ATOM 1267 CD1 LEU A 80 9.799 4.307 1.780 1.00 0.00 C ATOM 1268 CD2 LEU A 80 11.674 5.931 2.102 1.00 0.00 C ATOM 0 H LEU A 80 10.334 5.162 6.872 1.00 0.00 H new ATOM 0 HA LEU A 80 12.437 5.156 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.861 4.210 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.683 5.888 3.994 1.00 0.00 H new ATOM 0 HG LEU A 80 11.639 3.912 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.195 4.072 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.314 3.424 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.072 5.115 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 80 12.045 5.673 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.994 6.779 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.513 6.195 2.746 1.00 0.00 H new ATOM 1280 N GLN A 81 12.651 7.589 5.108 1.00 0.00 N ATOM 1281 CA GLN A 81 12.803 9.034 5.229 1.00 0.00 C ATOM 1282 C GLN A 81 12.649 9.712 3.872 1.00 0.00 C ATOM 1283 O GLN A 81 13.029 9.157 2.842 1.00 0.00 O ATOM 1284 CB GLN A 81 14.167 9.376 5.831 1.00 0.00 C ATOM 1285 CG GLN A 81 14.261 10.797 6.358 1.00 0.00 C ATOM 1286 CD GLN A 81 15.498 11.028 7.205 1.00 0.00 C ATOM 1287 OE1 GLN A 81 16.329 10.133 7.364 1.00 0.00 O ATOM 1288 NE2 GLN A 81 15.626 12.229 7.752 1.00 0.00 N ATOM 0 H GLN A 81 13.512 7.091 4.882 1.00 0.00 H new ATOM 0 HA GLN A 81 12.019 9.403 5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.380 8.681 6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.937 9.227 5.074 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.266 11.492 5.518 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.374 11.020 6.950 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.912 12.940 7.593 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.438 12.442 8.332 1.00 0.00 H new ATOM 1297 N GLY A 82 12.087 10.919 3.878 1.00 0.00 N ATOM 1298 CA GLY A 82 11.893 11.653 2.643 1.00 0.00 C ATOM 1299 C GLY A 82 10.497 12.232 2.526 1.00 0.00 C ATOM 1300 O GLY A 82 9.547 11.697 3.098 1.00 0.00 O ATOM 0 H GLY A 82 11.763 11.400 4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.624 12.460 2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.081 10.991 1.797 1.00 0.00 H new ATOM 1304 N ASP A 83 10.372 13.325 1.783 1.00 0.00 N ATOM 1305 CA ASP A 83 9.082 13.978 1.593 1.00 0.00 C ATOM 1306 C ASP A 83 8.342 13.383 0.399 1.00 0.00 C ATOM 1307 O ASP A 83 7.875 14.109 -0.478 1.00 0.00 O ATOM 1308 CB ASP A 83 9.270 15.483 1.393 1.00 0.00 C ATOM 1309 CG ASP A 83 10.416 16.037 2.218 1.00 0.00 C ATOM 1310 OD1 ASP A 83 11.558 16.051 1.713 1.00 0.00 O ATOM 1311 OD2 ASP A 83 10.171 16.458 3.368 1.00 0.00 O ATOM 0 H ASP A 83 11.149 13.778 1.302 1.00 0.00 H new ATOM 0 HA ASP A 83 8.484 13.811 2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.454 15.686 0.338 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.349 16.000 1.662 1.00 0.00 H new ATOM 1316 N GLN A 84 8.242 12.058 0.372 1.00 0.00 N ATOM 1317 CA GLN A 84 7.561 11.366 -0.716 1.00 0.00 C ATOM 1318 C GLN A 84 6.549 10.362 -0.174 1.00 0.00 C ATOM 1319 O GLN A 84 6.499 9.215 -0.616 1.00 0.00 O ATOM 1320 CB GLN A 84 8.578 10.650 -1.609 1.00 0.00 C ATOM 1321 CG GLN A 84 9.773 11.511 -1.979 1.00 0.00 C ATOM 1322 CD GLN A 84 10.106 11.445 -3.457 1.00 0.00 C ATOM 1323 OE1 GLN A 84 10.339 10.367 -4.004 1.00 0.00 O ATOM 1324 NE2 GLN A 84 10.130 12.600 -4.111 1.00 0.00 N ATOM 0 H GLN A 84 8.624 11.443 1.090 1.00 0.00 H new ATOM 0 HA GLN A 84 7.027 12.110 -1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.930 9.754 -1.098 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.080 10.322 -2.522 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.570 12.546 -1.702 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.640 11.191 -1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.930 13.470 -3.617 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.348 12.618 -5.107 1.00 0.00 H new ATOM 1333 N ARG A 85 5.743 10.803 0.787 1.00 0.00 N ATOM 1334 CA ARG A 85 4.732 9.943 1.391 1.00 0.00 C ATOM 1335 C ARG A 85 3.777 9.400 0.332 1.00 0.00 C ATOM 1336 O ARG A 85 3.663 8.188 0.148 1.00 0.00 O ATOM 1337 CB ARG A 85 3.947 10.713 2.454 1.00 0.00 C ATOM 1338 CG ARG A 85 3.073 9.825 3.326 1.00 0.00 C ATOM 1339 CD ARG A 85 2.437 10.613 4.462 1.00 0.00 C ATOM 1340 NE ARG A 85 1.105 11.100 4.111 1.00 0.00 N ATOM 1341 CZ ARG A 85 0.388 11.906 4.887 1.00 0.00 C ATOM 1342 NH1 ARG A 85 0.874 12.311 6.052 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -0.815 12.306 4.499 1.00 0.00 N ATOM 0 H ARG A 85 5.771 11.750 1.164 1.00 0.00 H new ATOM 0 HA ARG A 85 5.241 9.102 1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.647 11.256 3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.320 11.457 1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.293 9.369 2.716 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.673 9.012 3.736 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.370 9.982 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.076 11.458 4.719 1.00 0.00 H new ATOM 0 HE ARG A 85 0.703 10.805 3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.799 12.004 6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.323 12.930 6.647 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.192 11.995 3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.364 12.925 5.096 1.00 0.00 H new ATOM 1357 N ALA A 86 3.094 10.305 -0.362 1.00 0.00 N ATOM 1358 CA ALA A 86 2.152 9.917 -1.403 1.00 0.00 C ATOM 1359 C ALA A 86 2.816 9.017 -2.439 1.00 0.00 C ATOM 1360 O ALA A 86 2.154 8.214 -3.095 1.00 0.00 O ATOM 1361 CB ALA A 86 1.565 11.151 -2.070 1.00 0.00 C ATOM 0 H ALA A 86 3.176 11.312 -0.221 1.00 0.00 H new ATOM 0 HA ALA A 86 1.345 9.352 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.863 10.846 -2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.044 11.754 -1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.367 11.739 -2.517 1.00 0.00 H new ATOM 1367 N LYS A 87 4.130 9.160 -2.582 1.00 0.00 N ATOM 1368 CA LYS A 87 4.887 8.361 -3.540 1.00 0.00 C ATOM 1369 C LYS A 87 5.070 6.934 -3.032 1.00 0.00 C ATOM 1370 O LYS A 87 4.900 5.972 -3.781 1.00 0.00 O ATOM 1371 CB LYS A 87 6.252 8.999 -3.800 1.00 0.00 C ATOM 1372 CG LYS A 87 6.752 8.806 -5.222 1.00 0.00 C ATOM 1373 CD LYS A 87 6.048 9.741 -6.191 1.00 0.00 C ATOM 1374 CE LYS A 87 6.449 9.454 -7.631 1.00 0.00 C ATOM 1375 NZ LYS A 87 7.613 10.277 -8.057 1.00 0.00 N ATOM 0 H LYS A 87 4.693 9.821 -2.047 1.00 0.00 H new ATOM 0 HA LYS A 87 4.325 8.327 -4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.192 10.066 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.979 8.576 -3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.827 8.984 -5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.590 7.773 -5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.969 9.633 -6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.291 10.774 -5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.694 8.397 -7.736 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.604 9.652 -8.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.855 10.052 -9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.371 11.286 -7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.428 10.069 -7.445 1.00 0.00 H new ATOM 1389 N VAL A 88 5.415 6.804 -1.755 1.00 0.00 N ATOM 1390 CA VAL A 88 5.618 5.494 -1.146 1.00 0.00 C ATOM 1391 C VAL A 88 4.327 4.683 -1.147 1.00 0.00 C ATOM 1392 O VAL A 88 4.355 3.453 -1.198 1.00 0.00 O ATOM 1393 CB VAL A 88 6.133 5.621 0.300 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.514 4.255 0.851 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.312 6.580 0.363 1.00 0.00 C ATOM 0 H VAL A 88 5.560 7.590 -1.121 1.00 0.00 H new ATOM 0 HA VAL A 88 6.368 4.978 -1.745 1.00 0.00 H new ATOM 0 HB VAL A 88 5.333 6.026 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 88 6.876 4.363 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.641 3.603 0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.299 3.819 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.663 6.658 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.118 6.207 -0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.000 7.563 0.011 1.00 0.00 H new ATOM 1405 N CYS A 89 3.197 5.380 -1.089 1.00 0.00 N ATOM 1406 CA CYS A 89 1.895 4.723 -1.082 1.00 0.00 C ATOM 1407 C CYS A 89 1.481 4.320 -2.493 1.00 0.00 C ATOM 1408 O CYS A 89 0.880 3.265 -2.698 1.00 0.00 O ATOM 1409 CB CYS A 89 0.839 5.646 -0.472 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.564 4.777 0.267 1.00 0.00 S ATOM 0 H CYS A 89 3.156 6.398 -1.046 1.00 0.00 H new ATOM 0 HA CYS A 89 1.974 3.821 -0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.311 6.266 0.290 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.469 6.319 -1.246 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.401 5.642 0.757 1.00 0.00 H new ATOM 1416 N GLU A 90 1.806 5.167 -3.464 1.00 0.00 N ATOM 1417 CA GLU A 90 1.465 4.900 -4.857 1.00 0.00 C ATOM 1418 C GLU A 90 2.372 3.821 -5.442 1.00 0.00 C ATOM 1419 O GLU A 90 1.952 3.031 -6.287 1.00 0.00 O ATOM 1420 CB GLU A 90 1.576 6.179 -5.688 1.00 0.00 C ATOM 1421 CG GLU A 90 0.396 7.122 -5.516 1.00 0.00 C ATOM 1422 CD GLU A 90 -0.560 7.080 -6.692 1.00 0.00 C ATOM 1423 OE1 GLU A 90 -1.419 6.174 -6.727 1.00 0.00 O ATOM 1424 OE2 GLU A 90 -0.450 7.954 -7.577 1.00 0.00 O ATOM 0 H GLU A 90 2.305 6.044 -3.312 1.00 0.00 H new ATOM 0 HA GLU A 90 0.436 4.543 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.492 6.703 -5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.666 5.911 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.143 6.861 -4.605 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.765 8.140 -5.388 1.00 0.00 H new ATOM 1431 N PHE A 91 3.621 3.795 -4.984 1.00 0.00 N ATOM 1432 CA PHE A 91 4.589 2.815 -5.463 1.00 0.00 C ATOM 1433 C PHE A 91 4.396 1.473 -4.762 1.00 0.00 C ATOM 1434 O PHE A 91 4.608 0.416 -5.355 1.00 0.00 O ATOM 1435 CB PHE A 91 6.015 3.322 -5.234 1.00 0.00 C ATOM 1436 CG PHE A 91 7.000 2.819 -6.250 1.00 0.00 C ATOM 1437 CD1 PHE A 91 7.419 1.499 -6.234 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.507 3.666 -7.222 1.00 0.00 C ATOM 1439 CE1 PHE A 91 8.325 1.033 -7.167 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.414 3.207 -8.158 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.823 1.888 -8.132 1.00 0.00 C ATOM 0 H PHE A 91 3.985 4.440 -4.283 1.00 0.00 H new ATOM 0 HA PHE A 91 4.428 2.674 -6.532 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.012 4.412 -5.251 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.344 3.020 -4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.033 0.826 -5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.189 4.698 -7.249 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.644 0.001 -7.142 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.803 3.879 -8.909 1.00 0.00 H new ATOM 0 HZ PHE A 91 9.530 1.526 -8.864 1.00 0.00 H new ATOM 1451 N MET A 92 3.994 1.527 -3.497 1.00 0.00 N ATOM 1452 CA MET A 92 3.772 0.315 -2.715 1.00 0.00 C ATOM 1453 C MET A 92 2.551 -0.444 -3.224 1.00 0.00 C ATOM 1454 O MET A 92 2.581 -1.668 -3.357 1.00 0.00 O ATOM 1455 CB MET A 92 3.590 0.664 -1.236 1.00 0.00 C ATOM 1456 CG MET A 92 3.143 -0.514 -0.385 1.00 0.00 C ATOM 1457 SD MET A 92 3.422 -0.244 1.376 1.00 0.00 S ATOM 1458 CE MET A 92 2.102 0.905 1.757 1.00 0.00 C ATOM 0 H MET A 92 3.815 2.395 -2.992 1.00 0.00 H new ATOM 0 HA MET A 92 4.647 -0.325 -2.825 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.531 1.049 -0.843 1.00 0.00 H new ATOM 0 HB3 MET A 92 2.856 1.465 -1.148 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.083 -0.700 -0.557 1.00 0.00 H new ATOM 0 HG3 MET A 92 3.679 -1.409 -0.701 1.00 0.00 H new ATOM 0 HE1 MET A 92 1.862 0.845 2.819 1.00 0.00 H new ATOM 0 HE2 MET A 92 2.420 1.919 1.514 1.00 0.00 H new ATOM 0 HE3 MET A 92 1.219 0.652 1.171 1.00 0.00 H new ATOM 1468 N ILE A 93 1.479 0.288 -3.505 1.00 0.00 N ATOM 1469 CA ILE A 93 0.249 -0.318 -4.000 1.00 0.00 C ATOM 1470 C ILE A 93 0.395 -0.746 -5.457 1.00 0.00 C ATOM 1471 O ILE A 93 -0.078 -1.811 -5.852 1.00 0.00 O ATOM 1472 CB ILE A 93 -0.943 0.649 -3.878 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -1.131 1.079 -2.421 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.210 -0.003 -4.411 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -1.998 2.309 -2.262 1.00 0.00 C ATOM 0 H ILE A 93 1.437 1.302 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 93 0.059 -1.196 -3.383 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.735 1.537 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.576 0.256 -1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.154 1.273 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.044 0.693 -4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.071 -0.265 -5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.424 -0.905 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.088 2.556 -1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.544 3.146 -2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.988 2.112 -2.674 1.00 0.00 H new ATOM 1487 N SER A 94 1.053 0.093 -6.252 1.00 0.00 N ATOM 1488 CA SER A 94 1.258 -0.196 -7.666 1.00 0.00 C ATOM 1489 C SER A 94 2.219 -1.369 -7.846 1.00 0.00 C ATOM 1490 O SER A 94 2.182 -2.064 -8.860 1.00 0.00 O ATOM 1491 CB SER A 94 1.804 1.037 -8.386 1.00 0.00 C ATOM 1492 OG SER A 94 0.809 2.041 -8.500 1.00 0.00 O ATOM 0 H SER A 94 1.453 0.978 -5.940 1.00 0.00 H new ATOM 0 HA SER A 94 0.295 -0.465 -8.100 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.662 1.431 -7.841 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.158 0.756 -9.378 1.00 0.00 H new ATOM 0 HG SER A 94 0.907 2.683 -7.766 1.00 0.00 H new ATOM 1498 N GLN A 95 3.076 -1.581 -6.852 1.00 0.00 N ATOM 1499 CA GLN A 95 4.047 -2.669 -6.900 1.00 0.00 C ATOM 1500 C GLN A 95 3.501 -3.917 -6.213 1.00 0.00 C ATOM 1501 O GLN A 95 3.896 -5.038 -6.534 1.00 0.00 O ATOM 1502 CB GLN A 95 5.357 -2.240 -6.239 1.00 0.00 C ATOM 1503 CG GLN A 95 6.512 -3.193 -6.504 1.00 0.00 C ATOM 1504 CD GLN A 95 6.664 -3.529 -7.975 1.00 0.00 C ATOM 1505 OE1 GLN A 95 6.377 -2.707 -8.845 1.00 0.00 O ATOM 1506 NE2 GLN A 95 7.117 -4.745 -8.260 1.00 0.00 N ATOM 0 H GLN A 95 3.118 -1.015 -6.005 1.00 0.00 H new ATOM 0 HA GLN A 95 4.237 -2.907 -7.947 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.627 -1.247 -6.597 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.202 -2.160 -5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.437 -2.747 -6.139 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.357 -4.112 -5.939 1.00 0.00 H new ATOM 0 HE21 GLN A 95 7.343 -5.395 -7.507 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.239 -5.029 -9.232 1.00 0.00 H new ATOM 1515 N LEU A 96 2.591 -3.714 -5.266 1.00 0.00 N ATOM 1516 CA LEU A 96 1.991 -4.823 -4.533 1.00 0.00 C ATOM 1517 C LEU A 96 0.896 -5.492 -5.357 1.00 0.00 C ATOM 1518 O LEU A 96 0.576 -6.662 -5.150 1.00 0.00 O ATOM 1519 CB LEU A 96 1.415 -4.329 -3.204 1.00 0.00 C ATOM 1520 CG LEU A 96 2.399 -4.243 -2.036 1.00 0.00 C ATOM 1521 CD1 LEU A 96 1.749 -3.567 -0.838 1.00 0.00 C ATOM 1522 CD2 LEU A 96 2.905 -5.627 -1.662 1.00 0.00 C ATOM 0 H LEU A 96 2.253 -2.793 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 96 2.770 -5.558 -4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.984 -3.341 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.598 -4.991 -2.917 1.00 0.00 H new ATOM 0 HG LEU A 96 3.251 -3.640 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.464 -3.515 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.439 -2.559 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.878 -4.142 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.604 -5.546 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.064 -6.255 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.411 -6.073 -2.518 1.00 0.00 H new ATOM 1534 N GLY A 97 0.326 -4.741 -6.295 1.00 0.00 N ATOM 1535 CA GLY A 97 -0.725 -5.280 -7.138 1.00 0.00 C ATOM 1536 C GLY A 97 -2.098 -4.757 -6.758 1.00 0.00 C ATOM 1537 O GLY A 97 -3.067 -5.515 -6.707 1.00 0.00 O ATOM 0 H GLY A 97 0.573 -3.770 -6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.518 -5.027 -8.178 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.721 -6.368 -7.068 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.180 -3.459 -6.488 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.444 -2.836 -6.108 1.00 0.00 C ATOM 1543 C LEU A 98 -3.957 -3.402 -4.788 1.00 0.00 C ATOM 1544 O LEU A 98 -5.062 -3.936 -4.719 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.489 -3.047 -7.207 1.00 0.00 C ATOM 1546 CG LEU A 98 -4.025 -2.773 -8.637 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -5.152 -3.035 -9.624 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -3.519 -1.344 -8.770 1.00 0.00 C ATOM 0 H LEU A 98 -1.388 -2.818 -6.525 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.270 -1.768 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.842 -4.077 -7.152 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.344 -2.406 -6.995 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.203 -3.451 -8.867 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.803 -2.834 -10.637 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.467 -4.076 -9.548 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.995 -2.383 -9.395 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.193 -1.167 -9.795 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.321 -0.649 -8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.680 -1.190 -8.091 1.00 0.00 H new ATOM 1560 N GLN A 99 -3.143 -3.279 -3.744 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.516 -3.777 -2.425 1.00 0.00 C ATOM 1562 C GLN A 99 -4.075 -2.654 -1.556 1.00 0.00 C ATOM 1563 O GLN A 99 -3.375 -1.692 -1.240 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.306 -4.414 -1.736 1.00 0.00 C ATOM 1565 CG GLN A 99 -2.678 -5.365 -0.611 1.00 0.00 C ATOM 1566 CD GLN A 99 -3.580 -6.492 -1.072 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -4.788 -6.477 -0.831 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -2.997 -7.481 -1.741 1.00 0.00 N ATOM 0 H GLN A 99 -2.223 -2.840 -3.786 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.292 -4.532 -2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.719 -4.955 -2.478 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.668 -3.625 -1.338 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.769 -5.785 -0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.177 -4.807 0.181 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.993 -7.454 -1.919 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.553 -8.267 -2.077 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.341 -2.784 -1.173 1.00 0.00 N ATOM 1578 CA LYS A 100 -5.995 -1.782 -0.341 1.00 0.00 C ATOM 1579 C LYS A 100 -7.071 -2.420 0.532 1.00 0.00 C ATOM 1580 O LYS A 100 -7.958 -1.735 1.041 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.615 -0.690 -1.215 1.00 0.00 C ATOM 1582 CG LYS A 100 -7.711 -1.195 -2.137 1.00 0.00 C ATOM 1583 CD LYS A 100 -7.396 -0.896 -3.593 1.00 0.00 C ATOM 1584 CE LYS A 100 -7.793 0.525 -3.969 1.00 0.00 C ATOM 1585 NZ LYS A 100 -7.094 0.988 -5.199 1.00 0.00 N ATOM 0 H LYS A 100 -5.934 -3.574 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.241 -1.336 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.024 0.089 -0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.831 -0.229 -1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.834 -2.270 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.659 -0.730 -1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.330 -1.037 -3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.923 -1.604 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.871 0.572 -4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.560 1.198 -3.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.391 1.959 -5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.066 0.967 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.336 0.361 -5.993 1.00 0.00 H new ATOM 1599 N LYS A 101 -6.986 -3.734 0.705 1.00 0.00 N ATOM 1600 CA LYS A 101 -7.949 -4.464 1.519 1.00 0.00 C ATOM 1601 C LYS A 101 -8.027 -3.879 2.926 1.00 0.00 C ATOM 1602 O LYS A 101 -9.049 -3.997 3.600 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.569 -5.945 1.592 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.341 -6.820 0.621 1.00 0.00 C ATOM 1605 CD LYS A 101 -8.350 -8.273 1.066 1.00 0.00 C ATOM 1606 CE LYS A 101 -9.435 -9.067 0.354 1.00 0.00 C ATOM 1607 NZ LYS A 101 -8.961 -10.422 -0.044 1.00 0.00 N ATOM 0 H LYS A 101 -6.258 -4.316 0.291 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.928 -4.369 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.503 -6.048 1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.739 -6.305 2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.366 -6.457 0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.896 -6.745 -0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.377 -8.722 0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.508 -8.324 2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.302 -9.163 1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.762 -8.522 -0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.729 -10.931 -0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.149 -10.331 -0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.673 -10.952 0.803 1.00 0.00 H new ATOM 1621 N ASN A 102 -6.941 -3.247 3.360 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.888 -2.643 4.685 1.00 0.00 C ATOM 1623 C ASN A 102 -5.578 -1.886 4.887 1.00 0.00 C ATOM 1624 O ASN A 102 -4.571 -2.189 4.245 1.00 0.00 O ATOM 1625 CB ASN A 102 -7.040 -3.716 5.765 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.593 -3.158 7.062 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -6.968 -2.310 7.703 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.769 -3.630 7.457 1.00 0.00 N ATOM 0 H ASN A 102 -6.087 -3.140 2.813 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.713 -1.935 4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.700 -4.503 5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.070 -4.176 5.955 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.190 -3.291 8.322 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -9.252 -4.332 6.895 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.600 -0.904 5.780 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.415 -0.106 6.065 1.00 0.00 C ATOM 1637 C ILE A 103 -4.365 0.300 7.534 1.00 0.00 C ATOM 1638 O ILE A 103 -5.300 0.911 8.054 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.365 1.163 5.194 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -4.676 0.818 3.736 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -3.003 1.831 5.305 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -4.647 2.015 2.812 1.00 0.00 C ATOM 0 H ILE A 103 -6.425 -0.642 6.319 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.553 -0.731 5.832 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.120 1.862 5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.955 0.080 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -5.660 0.352 3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.985 2.726 4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.816 2.106 6.343 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.230 1.140 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -4.876 1.696 1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -5.388 2.745 3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.656 2.468 2.835 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.268 -0.043 8.201 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.095 0.287 9.611 1.00 0.00 C ATOM 1656 C LYS A 104 -2.373 1.621 9.773 1.00 0.00 C ATOM 1657 O LYS A 104 -1.143 1.681 9.734 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.310 -0.818 10.321 1.00 0.00 C ATOM 1659 CG LYS A 104 -2.924 -1.246 11.644 1.00 0.00 C ATOM 1660 CD LYS A 104 -2.339 -0.466 12.808 1.00 0.00 C ATOM 1661 CE LYS A 104 -3.385 -0.192 13.878 1.00 0.00 C ATOM 1662 NZ LYS A 104 -3.007 0.962 14.741 1.00 0.00 N ATOM 0 H LYS A 104 -2.485 -0.550 7.788 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.083 0.371 10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.243 -1.685 9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.291 -0.473 10.497 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.003 -1.097 11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.754 -2.312 11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.511 -1.026 13.242 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.931 0.478 12.446 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.346 0.009 13.404 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.514 -1.081 14.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -3.745 1.116 15.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.103 0.761 15.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.909 1.816 14.155 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.144 2.687 9.954 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.578 4.020 10.124 1.00 0.00 C ATOM 1678 C ILE A 105 -2.390 4.353 11.601 1.00 0.00 C ATOM 1679 O ILE A 105 -3.265 4.085 12.426 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.467 5.097 9.476 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -3.905 4.654 8.079 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -2.729 6.424 9.410 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -2.753 4.453 7.120 1.00 0.00 C ATOM 0 H ILE A 105 -4.163 2.654 9.987 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.607 4.016 9.628 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.357 5.230 10.090 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.466 3.723 8.161 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.585 5.400 7.667 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.371 7.175 8.949 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.463 6.743 10.418 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.823 6.307 8.815 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.138 4.140 6.150 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.205 5.389 7.008 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.084 3.686 7.510 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.243 4.940 11.928 1.00 0.00 N ATOM 1696 CA HIS A 106 -0.939 5.313 13.304 1.00 0.00 C ATOM 1697 C HIS A 106 -1.461 6.712 13.617 1.00 0.00 C ATOM 1698 O HIS A 106 -1.407 7.608 12.774 1.00 0.00 O ATOM 1699 CB HIS A 106 0.568 5.251 13.553 1.00 0.00 C ATOM 1700 CG HIS A 106 0.967 5.690 14.927 1.00 0.00 C ATOM 1701 ND1 HIS A 106 0.928 4.858 16.026 1.00 0.00 N ATOM 1702 CD2 HIS A 106 1.418 6.884 15.379 1.00 0.00 C ATOM 1703 CE1 HIS A 106 1.335 5.520 17.093 1.00 0.00 C ATOM 1704 NE2 HIS A 106 1.639 6.753 16.728 1.00 0.00 N ATOM 0 H HIS A 106 -0.509 5.168 11.258 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.437 4.602 13.963 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.913 4.229 13.393 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.075 5.877 12.819 1.00 0.00 H new ATOM 0 HD2 HIS A 106 1.575 7.774 14.788 1.00 0.00 H new ATOM 0 HE1 HIS A 106 1.407 5.122 18.094 1.00 0.00 H new ATOM 0 HE2 HIS A 106 1.982 7.488 17.347 1.00 0.00 H new ATOM 1712 N GLY A 107 -1.968 6.894 14.832 1.00 0.00 N ATOM 1713 CA GLY A 107 -2.493 8.186 15.232 1.00 0.00 C ATOM 1714 C GLY A 107 -1.575 8.911 16.195 1.00 0.00 C ATOM 1715 O GLY A 107 -1.443 8.518 17.354 1.00 0.00 O ATOM 0 H GLY A 107 -2.025 6.169 15.547 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.646 8.803 14.346 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.469 8.050 15.698 1.00 0.00 H new ATOM 1719 N PHE A 108 -0.936 9.973 15.716 1.00 0.00 N ATOM 1720 CA PHE A 108 -0.022 10.754 16.541 1.00 0.00 C ATOM 1721 C PHE A 108 -0.789 11.744 17.415 1.00 0.00 C ATOM 1722 O PHE A 108 -1.503 11.349 18.335 1.00 0.00 O ATOM 1723 CB PHE A 108 0.979 11.504 15.661 1.00 0.00 C ATOM 1724 CG PHE A 108 2.000 12.281 16.444 1.00 0.00 C ATOM 1725 CD1 PHE A 108 3.052 11.634 17.069 1.00 0.00 C ATOM 1726 CD2 PHE A 108 1.907 13.660 16.551 1.00 0.00 C ATOM 1727 CE1 PHE A 108 3.992 12.347 17.791 1.00 0.00 C ATOM 1728 CE2 PHE A 108 2.843 14.378 17.271 1.00 0.00 C ATOM 1729 CZ PHE A 108 3.887 13.721 17.890 1.00 0.00 C ATOM 0 H PHE A 108 -1.035 10.313 14.759 1.00 0.00 H new ATOM 0 HA PHE A 108 0.519 10.066 17.190 1.00 0.00 H new ATOM 0 HB2 PHE A 108 1.493 10.789 15.018 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.436 12.187 15.008 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.140 10.560 16.992 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.094 14.179 16.066 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.807 11.830 18.277 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.758 15.452 17.349 1.00 0.00 H new ATOM 0 HZ PHE A 108 4.621 14.280 18.451 1.00 0.00 H new TER 1739 PHE A 108