USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 872 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 39 ASN : amide:sc= -1.27 K(o=-1,f=-6.6!) USER MOD Set 1.2: A 41 GLN : amide:sc= 0.255 K(o=-1,f=-6.6) USER MOD Set 2.1: A 33 MET CE :methyl -116:sc= -1.86 (180deg=-4.28!) USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ -167:sc= 0 (180deg=-0.101) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0471 K(o=-0.047,f=-1.7!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.906 K(o=-0.91,f=-1.7) USER MOD Single : A 10 LYS NZ :NH3+ -159:sc= -0.0416 (180deg=-0.327) USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.046) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.101 K(o=-0.1,f=-2.1!) USER MOD Single : A 30 THR OG1 : rot -29:sc= 0.00931 USER MOD Single : A 38 SER OG : rot -18:sc= 0.265! USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= -0.179 (180deg=-0.779) USER MOD Single : A 54 HIS : no HE2:sc= -7.32! C(o=-7.3!,f=-12!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.38 K(o=-1.4,f=-6.5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -166:sc= -0.554 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -4.63 K(o=-4.6,f=-6!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.072 X(o=-0.072,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.0295 X(o=-0.029,f=-0.0038) USER MOD Single : A 108 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.58) USER MOD Single : A 109 HIS : no HD1:sc= -0.0764 X(o=-0.076,f=-0.28) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.00023) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.384 -42.716 -16.936 1.00 43.20 N ATOM 2 CA ASP A 1 -2.982 -41.893 -18.071 1.00 71.01 C ATOM 3 C ASP A 1 -2.828 -40.433 -17.657 1.00 33.05 C ATOM 4 O ASP A 1 -3.636 -39.906 -16.890 1.00 42.33 O ATOM 5 CB ASP A 1 -4.006 -42.010 -19.201 1.00 33.11 C ATOM 6 CG ASP A 1 -4.144 -43.430 -19.713 1.00 22.41 C ATOM 7 OD1 ASP A 1 -3.388 -43.805 -20.634 1.00 73.13 O ATOM 8 OD2 ASP A 1 -5.006 -44.168 -19.192 1.00 13.43 O ATOM 0 H1 ASP A 1 -3.270 -43.721 -17.178 1.00 43.20 H new ATOM 0 H2 ASP A 1 -2.789 -42.489 -16.114 1.00 43.20 H new ATOM 0 H3 ASP A 1 -4.380 -42.526 -16.705 1.00 43.20 H new ATOM 0 HA ASP A 1 -2.017 -42.255 -18.426 1.00 71.01 H new ATOM 0 HB2 ASP A 1 -4.975 -41.659 -18.847 1.00 33.11 H new ATOM 0 HB3 ASP A 1 -3.712 -41.358 -20.023 1.00 33.11 H new ATOM 13 N LEU A 2 -1.787 -39.785 -18.166 1.00 64.34 N ATOM 14 CA LEU A 2 -1.526 -38.386 -17.849 1.00 3.45 C ATOM 15 C LEU A 2 -0.524 -37.782 -18.828 1.00 70.30 C ATOM 16 O LEU A 2 0.025 -38.480 -19.681 1.00 74.45 O ATOM 17 CB LEU A 2 -0.999 -38.257 -16.418 1.00 44.33 C ATOM 18 CG LEU A 2 0.378 -38.867 -16.153 1.00 30.03 C ATOM 19 CD1 LEU A 2 1.084 -38.122 -15.030 1.00 65.55 C ATOM 20 CD2 LEU A 2 0.250 -40.346 -15.816 1.00 50.44 C ATOM 0 H LEU A 2 -1.109 -40.207 -18.801 1.00 64.34 H new ATOM 0 HA LEU A 2 -2.465 -37.839 -17.936 1.00 3.45 H new ATOM 0 HB2 LEU A 2 -0.961 -37.199 -16.160 1.00 44.33 H new ATOM 0 HB3 LEU A 2 -1.717 -38.724 -15.744 1.00 44.33 H new ATOM 0 HG LEU A 2 0.977 -38.771 -17.058 1.00 30.03 H new ATOM 0 HD11 LEU A 2 2.062 -38.570 -14.855 1.00 65.55 H new ATOM 0 HD12 LEU A 2 1.208 -37.076 -15.309 1.00 65.55 H new ATOM 0 HD13 LEU A 2 0.488 -38.186 -14.120 1.00 65.55 H new ATOM 0 HD21 LEU A 2 1.239 -40.764 -15.630 1.00 50.44 H new ATOM 0 HD22 LEU A 2 -0.367 -40.464 -14.925 1.00 50.44 H new ATOM 0 HD23 LEU A 2 -0.215 -40.871 -16.651 1.00 50.44 H new ATOM 32 N THR A 3 -0.288 -36.480 -18.698 1.00 61.45 N ATOM 33 CA THR A 3 0.648 -35.783 -19.571 1.00 4.12 C ATOM 34 C THR A 3 1.770 -35.134 -18.767 1.00 74.23 C ATOM 35 O THR A 3 1.692 -35.034 -17.543 1.00 13.32 O ATOM 36 CB THR A 3 -0.062 -34.701 -20.406 1.00 44.12 C ATOM 37 OG1 THR A 3 -1.034 -34.022 -19.604 1.00 1.13 O ATOM 38 CG2 THR A 3 -0.739 -35.314 -21.622 1.00 73.13 C ATOM 0 H THR A 3 -0.732 -35.887 -17.997 1.00 61.45 H new ATOM 0 HA THR A 3 1.071 -36.530 -20.243 1.00 4.12 H new ATOM 0 HB THR A 3 0.688 -33.988 -20.748 1.00 44.12 H new ATOM 0 HG1 THR A 3 -1.480 -33.335 -20.142 1.00 1.13 H new ATOM 0 HG21 THR A 3 -1.234 -34.531 -22.196 1.00 73.13 H new ATOM 0 HG22 THR A 3 0.008 -35.804 -22.246 1.00 73.13 H new ATOM 0 HG23 THR A 3 -1.477 -36.047 -21.297 1.00 73.13 H new ATOM 46 N VAL A 4 2.813 -34.694 -19.464 1.00 73.21 N ATOM 47 CA VAL A 4 3.950 -34.053 -18.815 1.00 51.11 C ATOM 48 C VAL A 4 4.163 -32.641 -19.349 1.00 12.20 C ATOM 49 O VAL A 4 5.285 -32.135 -19.365 1.00 61.14 O ATOM 50 CB VAL A 4 5.243 -34.866 -19.016 1.00 35.02 C ATOM 51 CG1 VAL A 4 5.171 -36.180 -18.253 1.00 11.14 C ATOM 52 CG2 VAL A 4 5.492 -35.113 -20.496 1.00 10.40 C ATOM 0 H VAL A 4 2.894 -34.770 -20.478 1.00 73.21 H new ATOM 0 HA VAL A 4 3.721 -34.006 -17.750 1.00 51.11 H new ATOM 0 HB VAL A 4 6.080 -34.289 -18.621 1.00 35.02 H new ATOM 0 HG11 VAL A 4 6.093 -36.741 -18.407 1.00 11.14 H new ATOM 0 HG12 VAL A 4 5.043 -35.977 -17.190 1.00 11.14 H new ATOM 0 HG13 VAL A 4 4.326 -36.765 -18.615 1.00 11.14 H new ATOM 0 HG21 VAL A 4 6.409 -35.689 -20.620 1.00 10.40 H new ATOM 0 HG22 VAL A 4 4.655 -35.669 -20.918 1.00 10.40 H new ATOM 0 HG23 VAL A 4 5.590 -34.158 -21.013 1.00 10.40 H new ATOM 62 N ARG A 5 3.078 -32.009 -19.785 1.00 13.05 N ATOM 63 CA ARG A 5 3.146 -30.655 -20.320 1.00 54.30 C ATOM 64 C ARG A 5 2.894 -29.623 -19.224 1.00 21.42 C ATOM 65 O ARG A 5 1.796 -29.079 -19.111 1.00 70.42 O ATOM 66 CB ARG A 5 2.125 -30.477 -21.446 1.00 3.10 C ATOM 67 CG ARG A 5 2.426 -31.314 -22.678 1.00 45.15 C ATOM 68 CD ARG A 5 1.211 -31.426 -23.586 1.00 25.40 C ATOM 69 NE ARG A 5 0.723 -30.117 -24.011 1.00 72.51 N ATOM 70 CZ ARG A 5 -0.361 -29.945 -24.760 1.00 30.34 C ATOM 71 NH1 ARG A 5 -1.066 -30.994 -25.163 1.00 45.50 N ATOM 72 NH2 ARG A 5 -0.742 -28.722 -25.106 1.00 34.44 N ATOM 0 H ARG A 5 2.142 -32.413 -19.778 1.00 13.05 H new ATOM 0 HA ARG A 5 4.149 -30.499 -20.718 1.00 54.30 H new ATOM 0 HB2 ARG A 5 1.135 -30.739 -21.072 1.00 3.10 H new ATOM 0 HB3 ARG A 5 2.090 -29.425 -21.731 1.00 3.10 H new ATOM 0 HG2 ARG A 5 3.254 -30.868 -23.229 1.00 45.15 H new ATOM 0 HG3 ARG A 5 2.747 -32.310 -22.373 1.00 45.15 H new ATOM 0 HD2 ARG A 5 1.468 -32.020 -24.463 1.00 25.40 H new ATOM 0 HD3 ARG A 5 0.416 -31.957 -23.063 1.00 25.40 H new ATOM 0 HE ARG A 5 1.242 -29.290 -23.717 1.00 72.51 H new ATOM 0 HH11 ARG A 5 -0.776 -31.935 -24.898 1.00 45.50 H new ATOM 0 HH12 ARG A 5 -1.898 -30.859 -25.738 1.00 45.50 H new ATOM 0 HH21 ARG A 5 -0.203 -27.913 -24.797 1.00 34.44 H new ATOM 0 HH22 ARG A 5 -1.574 -28.591 -25.681 1.00 34.44 H new ATOM 86 N GLN A 6 3.919 -29.361 -18.419 1.00 72.00 N ATOM 87 CA GLN A 6 3.808 -28.396 -17.331 1.00 73.24 C ATOM 88 C GLN A 6 4.799 -27.252 -17.515 1.00 65.21 C ATOM 89 O GLN A 6 5.976 -27.476 -17.799 1.00 44.02 O ATOM 90 CB GLN A 6 4.047 -29.083 -15.986 1.00 31.12 C ATOM 91 CG GLN A 6 3.462 -28.327 -14.804 1.00 52.31 C ATOM 92 CD GLN A 6 3.262 -29.209 -13.587 1.00 41.15 C ATOM 93 OE1 GLN A 6 3.484 -30.419 -13.640 1.00 44.25 O ATOM 94 NE2 GLN A 6 2.841 -28.606 -12.482 1.00 34.32 N ATOM 0 H GLN A 6 4.835 -29.803 -18.500 1.00 72.00 H new ATOM 0 HA GLN A 6 2.799 -27.984 -17.346 1.00 73.24 H new ATOM 0 HB2 GLN A 6 3.615 -30.083 -16.017 1.00 31.12 H new ATOM 0 HB3 GLN A 6 5.120 -29.204 -15.835 1.00 31.12 H new ATOM 0 HG2 GLN A 6 4.123 -27.500 -14.544 1.00 52.31 H new ATOM 0 HG3 GLN A 6 2.505 -27.892 -15.094 1.00 52.31 H new ATOM 0 HE21 GLN A 6 2.670 -27.601 -12.483 1.00 34.32 H new ATOM 0 HE22 GLN A 6 2.689 -29.148 -11.631 1.00 34.32 H new ATOM 103 N LYS A 7 4.317 -26.025 -17.352 1.00 34.24 N ATOM 104 CA LYS A 7 5.160 -24.845 -17.498 1.00 52.22 C ATOM 105 C LYS A 7 5.006 -23.914 -16.300 1.00 20.04 C ATOM 106 O LYS A 7 4.186 -22.997 -16.315 1.00 3.22 O ATOM 107 CB LYS A 7 4.807 -24.098 -18.786 1.00 40.53 C ATOM 108 CG LYS A 7 5.974 -23.331 -19.384 1.00 63.42 C ATOM 109 CD LYS A 7 5.614 -22.728 -20.732 1.00 20.54 C ATOM 110 CE LYS A 7 5.674 -23.767 -21.841 1.00 21.30 C ATOM 111 NZ LYS A 7 5.032 -23.279 -23.093 1.00 64.41 N ATOM 0 H LYS A 7 3.345 -25.822 -17.118 1.00 34.24 H new ATOM 0 HA LYS A 7 6.198 -25.175 -17.548 1.00 52.22 H new ATOM 0 HB2 LYS A 7 4.438 -24.813 -19.521 1.00 40.53 H new ATOM 0 HB3 LYS A 7 3.993 -23.403 -18.581 1.00 40.53 H new ATOM 0 HG2 LYS A 7 6.279 -22.539 -18.700 1.00 63.42 H new ATOM 0 HG3 LYS A 7 6.828 -23.998 -19.499 1.00 63.42 H new ATOM 0 HD2 LYS A 7 4.612 -22.302 -20.685 1.00 20.54 H new ATOM 0 HD3 LYS A 7 6.298 -21.910 -20.960 1.00 20.54 H new ATOM 0 HE2 LYS A 7 6.714 -24.024 -22.042 1.00 21.30 H new ATOM 0 HE3 LYS A 7 5.178 -24.680 -21.511 1.00 21.30 H new ATOM 0 HZ1 LYS A 7 5.093 -24.016 -23.825 1.00 64.41 H new ATOM 0 HZ2 LYS A 7 4.033 -23.058 -22.907 1.00 64.41 H new ATOM 0 HZ3 LYS A 7 5.521 -22.422 -23.423 1.00 64.41 H new ATOM 125 N GLY A 8 5.802 -24.156 -15.262 1.00 14.10 N ATOM 126 CA GLY A 8 5.739 -23.330 -14.071 1.00 14.15 C ATOM 127 C GLY A 8 6.559 -22.062 -14.200 1.00 54.44 C ATOM 128 O GLY A 8 7.788 -22.109 -14.225 1.00 34.11 O ATOM 0 H GLY A 8 6.489 -24.909 -15.225 1.00 14.10 H new ATOM 0 HA2 GLY A 8 4.700 -23.068 -13.869 1.00 14.15 H new ATOM 0 HA3 GLY A 8 6.095 -23.904 -13.216 1.00 14.15 H new ATOM 132 N ASN A 9 5.877 -20.924 -14.285 1.00 54.04 N ATOM 133 CA ASN A 9 6.550 -19.637 -14.416 1.00 22.00 C ATOM 134 C ASN A 9 5.799 -18.550 -13.654 1.00 14.12 C ATOM 135 O ASN A 9 4.590 -18.383 -13.818 1.00 33.42 O ATOM 136 CB ASN A 9 6.673 -19.249 -15.891 1.00 72.40 C ATOM 137 CG ASN A 9 5.467 -19.680 -16.704 1.00 64.12 C ATOM 138 OD1 ASN A 9 5.424 -20.793 -17.230 1.00 5.43 O ATOM 139 ND2 ASN A 9 4.480 -18.798 -16.811 1.00 65.14 N ATOM 0 H ASN A 9 4.859 -20.867 -14.265 1.00 54.04 H new ATOM 0 HA ASN A 9 7.548 -19.733 -13.988 1.00 22.00 H new ATOM 0 HB2 ASN A 9 6.795 -18.169 -15.971 1.00 72.40 H new ATOM 0 HB3 ASN A 9 7.571 -19.703 -16.310 1.00 72.40 H new ATOM 0 HD21 ASN A 9 3.643 -19.031 -17.346 1.00 65.14 H new ATOM 0 HD22 ASN A 9 4.559 -17.887 -16.358 1.00 65.14 H new ATOM 146 N LYS A 10 6.523 -17.811 -12.820 1.00 32.32 N ATOM 147 CA LYS A 10 5.927 -16.738 -12.033 1.00 31.32 C ATOM 148 C LYS A 10 5.544 -15.560 -12.922 1.00 12.40 C ATOM 149 O LYS A 10 6.408 -14.831 -13.411 1.00 33.31 O ATOM 150 CB LYS A 10 6.899 -16.276 -10.945 1.00 52.50 C ATOM 151 CG LYS A 10 6.870 -17.139 -9.696 1.00 33.30 C ATOM 152 CD LYS A 10 7.368 -18.547 -9.979 1.00 53.45 C ATOM 153 CE LYS A 10 7.893 -19.216 -8.719 1.00 62.30 C ATOM 154 NZ LYS A 10 9.153 -18.584 -8.239 1.00 63.11 N ATOM 0 H LYS A 10 7.524 -17.936 -12.672 1.00 32.32 H new ATOM 0 HA LYS A 10 5.023 -17.124 -11.563 1.00 31.32 H new ATOM 0 HB2 LYS A 10 7.911 -16.273 -11.351 1.00 52.50 H new ATOM 0 HB3 LYS A 10 6.663 -15.248 -10.671 1.00 52.50 H new ATOM 0 HG2 LYS A 10 7.488 -16.682 -8.923 1.00 33.30 H new ATOM 0 HG3 LYS A 10 5.853 -17.183 -9.307 1.00 33.30 H new ATOM 0 HD2 LYS A 10 6.558 -19.143 -10.398 1.00 53.45 H new ATOM 0 HD3 LYS A 10 8.158 -18.511 -10.729 1.00 53.45 H new ATOM 0 HE2 LYS A 10 7.137 -19.159 -7.936 1.00 62.30 H new ATOM 0 HE3 LYS A 10 8.069 -20.273 -8.916 1.00 62.30 H new ATOM 0 HZ1 LYS A 10 9.663 -19.250 -7.625 1.00 63.11 H new ATOM 0 HZ2 LYS A 10 9.750 -18.338 -9.054 1.00 63.11 H new ATOM 0 HZ3 LYS A 10 8.927 -17.722 -7.703 1.00 63.11 H new ATOM 168 N VAL A 11 4.243 -15.376 -13.127 1.00 22.45 N ATOM 169 CA VAL A 11 3.746 -14.284 -13.955 1.00 32.34 C ATOM 170 C VAL A 11 2.485 -13.672 -13.356 1.00 55.45 C ATOM 171 O VAL A 11 1.713 -14.352 -12.679 1.00 50.43 O ATOM 172 CB VAL A 11 3.442 -14.760 -15.388 1.00 4.02 C ATOM 173 CG1 VAL A 11 4.674 -15.398 -16.011 1.00 25.42 C ATOM 174 CG2 VAL A 11 2.270 -15.730 -15.390 1.00 5.21 C ATOM 0 H VAL A 11 3.514 -15.970 -12.731 1.00 22.45 H new ATOM 0 HA VAL A 11 4.532 -13.529 -13.990 1.00 32.34 H new ATOM 0 HB VAL A 11 3.167 -13.894 -15.990 1.00 4.02 H new ATOM 0 HG11 VAL A 11 4.440 -15.728 -17.023 1.00 25.42 H new ATOM 0 HG12 VAL A 11 5.484 -14.669 -16.045 1.00 25.42 H new ATOM 0 HG13 VAL A 11 4.982 -16.255 -15.412 1.00 25.42 H new ATOM 0 HG21 VAL A 11 2.069 -16.056 -16.411 1.00 5.21 H new ATOM 0 HG22 VAL A 11 2.513 -16.596 -14.774 1.00 5.21 H new ATOM 0 HG23 VAL A 11 1.387 -15.234 -14.987 1.00 5.21 H new ATOM 184 N ILE A 12 2.281 -12.384 -13.611 1.00 50.54 N ATOM 185 CA ILE A 12 1.112 -11.679 -13.099 1.00 70.44 C ATOM 186 C ILE A 12 0.131 -11.354 -14.221 1.00 3.01 C ATOM 187 O ILE A 12 0.501 -10.751 -15.229 1.00 30.41 O ATOM 188 CB ILE A 12 1.509 -10.374 -12.385 1.00 42.02 C ATOM 189 CG1 ILE A 12 2.644 -10.635 -11.393 1.00 44.10 C ATOM 190 CG2 ILE A 12 0.306 -9.771 -11.675 1.00 60.43 C ATOM 191 CD1 ILE A 12 3.112 -9.392 -10.669 1.00 50.43 C ATOM 0 H ILE A 12 2.910 -11.807 -14.169 1.00 50.54 H new ATOM 0 HA ILE A 12 0.632 -12.344 -12.381 1.00 70.44 H new ATOM 0 HB ILE A 12 1.860 -9.661 -13.131 1.00 42.02 H new ATOM 0 HG12 ILE A 12 2.313 -11.370 -10.659 1.00 44.10 H new ATOM 0 HG13 ILE A 12 3.487 -11.075 -11.926 1.00 44.10 H new ATOM 0 HG21 ILE A 12 0.603 -8.849 -11.175 1.00 60.43 H new ATOM 0 HG22 ILE A 12 -0.475 -9.553 -12.403 1.00 60.43 H new ATOM 0 HG23 ILE A 12 -0.073 -10.478 -10.937 1.00 60.43 H new ATOM 0 HD11 ILE A 12 3.918 -9.652 -9.982 1.00 50.43 H new ATOM 0 HD12 ILE A 12 3.475 -8.663 -11.394 1.00 50.43 H new ATOM 0 HD13 ILE A 12 2.282 -8.963 -10.108 1.00 50.43 H new ATOM 203 N LYS A 13 -1.122 -11.755 -14.038 1.00 71.32 N ATOM 204 CA LYS A 13 -2.159 -11.504 -15.032 1.00 61.52 C ATOM 205 C LYS A 13 -3.268 -10.632 -14.453 1.00 72.32 C ATOM 206 O LYS A 13 -3.463 -10.558 -13.240 1.00 33.52 O ATOM 207 CB LYS A 13 -2.744 -12.827 -15.534 1.00 12.45 C ATOM 208 CG LYS A 13 -2.974 -13.847 -14.432 1.00 12.53 C ATOM 209 CD LYS A 13 -1.771 -14.758 -14.255 1.00 41.42 C ATOM 210 CE LYS A 13 -1.816 -15.933 -15.219 1.00 60.40 C ATOM 211 NZ LYS A 13 -2.807 -16.961 -14.795 1.00 2.24 N ATOM 0 H LYS A 13 -1.444 -12.256 -13.210 1.00 71.32 H new ATOM 0 HA LYS A 13 -1.705 -10.974 -15.869 1.00 61.52 H new ATOM 0 HB2 LYS A 13 -3.690 -12.629 -16.037 1.00 12.45 H new ATOM 0 HB3 LYS A 13 -2.071 -13.253 -16.278 1.00 12.45 H new ATOM 0 HG2 LYS A 13 -3.181 -13.331 -13.495 1.00 12.53 H new ATOM 0 HG3 LYS A 13 -3.854 -14.446 -14.667 1.00 12.53 H new ATOM 0 HD2 LYS A 13 -0.855 -14.189 -14.416 1.00 41.42 H new ATOM 0 HD3 LYS A 13 -1.741 -15.128 -13.230 1.00 41.42 H new ATOM 0 HE2 LYS A 13 -2.069 -15.575 -16.217 1.00 60.40 H new ATOM 0 HE3 LYS A 13 -0.827 -16.387 -15.285 1.00 60.40 H new ATOM 0 HZ1 LYS A 13 -2.690 -17.816 -15.375 1.00 2.24 H new ATOM 0 HZ2 LYS A 13 -2.654 -17.198 -13.794 1.00 2.24 H new ATOM 0 HZ3 LYS A 13 -3.770 -16.587 -14.919 1.00 2.24 H new ATOM 225 N PRO A 14 -4.014 -9.956 -15.340 1.00 33.35 N ATOM 226 CA PRO A 14 -5.118 -9.079 -14.939 1.00 52.10 C ATOM 227 C PRO A 14 -6.306 -9.858 -14.385 1.00 54.13 C ATOM 228 O PRO A 14 -6.764 -10.826 -14.993 1.00 40.33 O ATOM 229 CB PRO A 14 -5.502 -8.374 -16.243 1.00 3.25 C ATOM 230 CG PRO A 14 -5.070 -9.308 -17.320 1.00 2.13 C ATOM 231 CD PRO A 14 -3.838 -9.997 -16.801 1.00 31.11 C ATOM 0 HA PRO A 14 -4.827 -8.398 -14.139 1.00 52.10 H new ATOM 0 HB2 PRO A 14 -6.574 -8.185 -16.290 1.00 3.25 H new ATOM 0 HB3 PRO A 14 -5.004 -7.409 -16.333 1.00 3.25 H new ATOM 0 HG2 PRO A 14 -5.854 -10.030 -17.548 1.00 2.13 H new ATOM 0 HG3 PRO A 14 -4.856 -8.768 -18.242 1.00 2.13 H new ATOM 0 HD2 PRO A 14 -3.765 -11.021 -17.168 1.00 31.11 H new ATOM 0 HD3 PRO A 14 -2.929 -9.482 -17.111 1.00 31.11 H new ATOM 239 N ASP A 15 -6.802 -9.430 -13.229 1.00 44.34 N ATOM 240 CA ASP A 15 -7.938 -10.086 -12.594 1.00 72.54 C ATOM 241 C ASP A 15 -9.070 -9.094 -12.345 1.00 62.14 C ATOM 242 O ASP A 15 -8.954 -7.913 -12.670 1.00 11.10 O ATOM 243 CB ASP A 15 -7.510 -10.732 -11.276 1.00 20.14 C ATOM 244 CG ASP A 15 -7.000 -12.148 -11.463 1.00 14.44 C ATOM 245 OD1 ASP A 15 -5.784 -12.315 -11.687 1.00 44.24 O ATOM 246 OD2 ASP A 15 -7.819 -13.088 -11.385 1.00 25.20 O ATOM 0 H ASP A 15 -6.434 -8.631 -12.713 1.00 44.34 H new ATOM 0 HA ASP A 15 -8.301 -10.861 -13.268 1.00 72.54 H new ATOM 0 HB2 ASP A 15 -6.730 -10.126 -10.814 1.00 20.14 H new ATOM 0 HB3 ASP A 15 -8.355 -10.741 -10.588 1.00 20.14 H new ATOM 251 N GLU A 16 -10.163 -9.583 -11.768 1.00 60.34 N ATOM 252 CA GLU A 16 -11.316 -8.739 -11.478 1.00 42.13 C ATOM 253 C GLU A 16 -10.945 -7.630 -10.498 1.00 20.14 C ATOM 254 O GLU A 16 -11.649 -6.626 -10.382 1.00 23.12 O ATOM 255 CB GLU A 16 -12.460 -9.579 -10.907 1.00 11.43 C ATOM 256 CG GLU A 16 -13.158 -10.442 -11.944 1.00 32.33 C ATOM 257 CD GLU A 16 -13.721 -9.631 -13.095 1.00 63.51 C ATOM 258 OE1 GLU A 16 -12.962 -9.347 -14.046 1.00 34.22 O ATOM 259 OE2 GLU A 16 -14.918 -9.281 -13.046 1.00 32.25 O ATOM 0 H GLU A 16 -10.274 -10.559 -11.492 1.00 60.34 H new ATOM 0 HA GLU A 16 -11.643 -8.281 -12.411 1.00 42.13 H new ATOM 0 HB2 GLU A 16 -12.069 -10.220 -10.117 1.00 11.43 H new ATOM 0 HB3 GLU A 16 -13.192 -8.915 -10.447 1.00 11.43 H new ATOM 0 HG2 GLU A 16 -12.454 -11.177 -12.333 1.00 32.33 H new ATOM 0 HG3 GLU A 16 -13.966 -10.996 -11.466 1.00 32.33 H new ATOM 266 N THR A 17 -9.834 -7.819 -9.792 1.00 32.10 N ATOM 267 CA THR A 17 -9.370 -6.837 -8.820 1.00 63.50 C ATOM 268 C THR A 17 -8.348 -5.891 -9.440 1.00 21.13 C ATOM 269 O THR A 17 -7.411 -5.451 -8.773 1.00 32.00 O ATOM 270 CB THR A 17 -8.742 -7.519 -7.590 1.00 5.13 C ATOM 271 OG1 THR A 17 -7.726 -8.440 -8.005 1.00 13.44 O ATOM 272 CG2 THR A 17 -9.799 -8.253 -6.779 1.00 63.31 C ATOM 0 H THR A 17 -9.239 -8.643 -9.876 1.00 32.10 H new ATOM 0 HA THR A 17 -10.244 -6.267 -8.504 1.00 63.50 H new ATOM 0 HB THR A 17 -8.297 -6.747 -6.962 1.00 5.13 H new ATOM 0 HG1 THR A 17 -7.331 -8.868 -7.217 1.00 13.44 H new ATOM 0 HG21 THR A 17 -9.331 -8.727 -5.916 1.00 63.31 H new ATOM 0 HG22 THR A 17 -10.554 -7.544 -6.439 1.00 63.31 H new ATOM 0 HG23 THR A 17 -10.270 -9.015 -7.400 1.00 63.31 H new ATOM 280 N ARG A 18 -8.535 -5.581 -10.719 1.00 24.25 N ATOM 281 CA ARG A 18 -7.628 -4.687 -11.428 1.00 40.21 C ATOM 282 C ARG A 18 -8.096 -3.239 -11.317 1.00 4.50 C ATOM 283 O ARG A 18 -9.116 -2.951 -10.691 1.00 41.20 O ATOM 284 CB ARG A 18 -7.528 -5.090 -12.900 1.00 71.14 C ATOM 285 CG ARG A 18 -6.459 -6.135 -13.174 1.00 44.35 C ATOM 286 CD ARG A 18 -5.128 -5.490 -13.528 1.00 44.32 C ATOM 287 NE ARG A 18 -4.298 -5.263 -12.348 1.00 32.33 N ATOM 288 CZ ARG A 18 -3.182 -4.543 -12.361 1.00 30.22 C ATOM 289 NH1 ARG A 18 -2.764 -3.982 -13.487 1.00 73.43 N ATOM 290 NH2 ARG A 18 -2.482 -4.383 -11.245 1.00 45.54 N ATOM 0 H ARG A 18 -9.306 -5.936 -11.285 1.00 24.25 H new ATOM 0 HA ARG A 18 -6.643 -4.769 -10.968 1.00 40.21 H new ATOM 0 HB2 ARG A 18 -8.493 -5.475 -13.229 1.00 71.14 H new ATOM 0 HB3 ARG A 18 -7.318 -4.203 -13.497 1.00 71.14 H new ATOM 0 HG2 ARG A 18 -6.335 -6.769 -12.296 1.00 44.35 H new ATOM 0 HG3 ARG A 18 -6.781 -6.781 -13.991 1.00 44.35 H new ATOM 0 HD2 ARG A 18 -4.592 -6.128 -14.231 1.00 44.32 H new ATOM 0 HD3 ARG A 18 -5.308 -4.541 -14.032 1.00 44.32 H new ATOM 0 HE ARG A 18 -4.592 -5.681 -11.465 1.00 32.33 H new ATOM 0 HH11 ARG A 18 -3.300 -4.103 -14.346 1.00 73.43 H new ATOM 0 HH12 ARG A 18 -1.907 -3.430 -13.494 1.00 73.43 H new ATOM 0 HH21 ARG A 18 -2.801 -4.813 -10.377 1.00 45.54 H new ATOM 0 HH22 ARG A 18 -1.625 -3.830 -11.255 1.00 45.54 H new ATOM 304 N VAL A 19 -7.342 -2.330 -11.928 1.00 61.13 N ATOM 305 CA VAL A 19 -7.679 -0.912 -11.899 1.00 1.12 C ATOM 306 C VAL A 19 -8.010 -0.397 -13.295 1.00 11.42 C ATOM 307 O VAL A 19 -7.280 -0.652 -14.253 1.00 3.44 O ATOM 308 CB VAL A 19 -6.527 -0.073 -11.314 1.00 20.32 C ATOM 309 CG1 VAL A 19 -5.232 -0.348 -12.064 1.00 13.34 C ATOM 310 CG2 VAL A 19 -6.873 1.408 -11.354 1.00 64.43 C ATOM 0 H VAL A 19 -6.493 -2.551 -12.449 1.00 61.13 H new ATOM 0 HA VAL A 19 -8.555 -0.808 -11.259 1.00 1.12 H new ATOM 0 HB VAL A 19 -6.383 -0.360 -10.272 1.00 20.32 H new ATOM 0 HG11 VAL A 19 -4.429 0.253 -11.637 1.00 13.34 H new ATOM 0 HG12 VAL A 19 -4.979 -1.405 -11.978 1.00 13.34 H new ATOM 0 HG13 VAL A 19 -5.359 -0.090 -13.115 1.00 13.34 H new ATOM 0 HG21 VAL A 19 -6.048 1.986 -10.937 1.00 64.43 H new ATOM 0 HG22 VAL A 19 -7.045 1.714 -12.386 1.00 64.43 H new ATOM 0 HG23 VAL A 19 -7.774 1.587 -10.768 1.00 64.43 H new ATOM 320 N LYS A 20 -9.117 0.331 -13.404 1.00 25.02 N ATOM 321 CA LYS A 20 -9.546 0.885 -14.682 1.00 44.24 C ATOM 322 C LYS A 20 -10.148 2.274 -14.499 1.00 1.44 C ATOM 323 O LYS A 20 -10.736 2.573 -13.459 1.00 70.55 O ATOM 324 CB LYS A 20 -10.567 -0.041 -15.346 1.00 63.33 C ATOM 325 CG LYS A 20 -10.155 -1.503 -15.341 1.00 60.33 C ATOM 326 CD LYS A 20 -10.664 -2.222 -14.103 1.00 52.11 C ATOM 327 CE LYS A 20 -12.032 -2.842 -14.342 1.00 32.43 C ATOM 328 NZ LYS A 20 -11.927 -4.211 -14.919 1.00 34.34 N ATOM 0 H LYS A 20 -9.733 0.551 -12.621 1.00 25.02 H new ATOM 0 HA LYS A 20 -8.670 0.970 -15.325 1.00 44.24 H new ATOM 0 HB2 LYS A 20 -11.524 0.060 -14.834 1.00 63.33 H new ATOM 0 HB3 LYS A 20 -10.721 0.281 -16.376 1.00 63.33 H new ATOM 0 HG2 LYS A 20 -10.543 -1.994 -16.233 1.00 60.33 H new ATOM 0 HG3 LYS A 20 -9.068 -1.576 -15.384 1.00 60.33 H new ATOM 0 HD2 LYS A 20 -9.956 -2.999 -13.816 1.00 52.11 H new ATOM 0 HD3 LYS A 20 -10.722 -1.520 -13.271 1.00 52.11 H new ATOM 0 HE2 LYS A 20 -12.580 -2.886 -13.401 1.00 32.43 H new ATOM 0 HE3 LYS A 20 -12.606 -2.207 -15.016 1.00 32.43 H new ATOM 0 HZ1 LYS A 20 -12.880 -4.599 -15.067 1.00 34.34 H new ATOM 0 HZ2 LYS A 20 -11.426 -4.167 -15.829 1.00 34.34 H new ATOM 0 HZ3 LYS A 20 -11.401 -4.824 -14.264 1.00 34.34 H new ATOM 342 N GLN A 21 -9.998 3.119 -15.514 1.00 71.42 N ATOM 343 CA GLN A 21 -10.529 4.476 -15.463 1.00 63.24 C ATOM 344 C GLN A 21 -11.109 4.884 -16.813 1.00 54.12 C ATOM 345 O GLN A 21 -11.153 4.085 -17.749 1.00 41.42 O ATOM 346 CB GLN A 21 -9.433 5.459 -15.048 1.00 30.02 C ATOM 347 CG GLN A 21 -9.153 5.462 -13.554 1.00 12.14 C ATOM 348 CD GLN A 21 -8.386 6.690 -13.106 1.00 44.41 C ATOM 349 OE1 GLN A 21 -8.714 7.306 -12.092 1.00 2.43 O ATOM 350 NE2 GLN A 21 -7.356 7.053 -13.862 1.00 52.53 N ATOM 0 H GLN A 21 -9.513 2.888 -16.381 1.00 71.42 H new ATOM 0 HA GLN A 21 -11.328 4.499 -14.722 1.00 63.24 H new ATOM 0 HB2 GLN A 21 -8.515 5.213 -15.581 1.00 30.02 H new ATOM 0 HB3 GLN A 21 -9.721 6.464 -15.357 1.00 30.02 H new ATOM 0 HG2 GLN A 21 -10.097 5.410 -13.011 1.00 12.14 H new ATOM 0 HG3 GLN A 21 -8.586 4.569 -13.293 1.00 12.14 H new ATOM 0 HE21 GLN A 21 -7.119 6.513 -14.694 1.00 52.53 H new ATOM 0 HE22 GLN A 21 -6.802 7.871 -13.610 1.00 52.53 H new ATOM 359 N PHE A 22 -11.555 6.133 -16.907 1.00 32.53 N ATOM 360 CA PHE A 22 -12.135 6.647 -18.142 1.00 61.20 C ATOM 361 C PHE A 22 -11.180 6.447 -19.315 1.00 71.04 C ATOM 362 O PHE A 22 -11.428 5.627 -20.200 1.00 32.50 O ATOM 363 CB PHE A 22 -12.473 8.131 -17.992 1.00 51.52 C ATOM 364 CG PHE A 22 -13.366 8.656 -19.080 1.00 74.50 C ATOM 365 CD1 PHE A 22 -12.906 8.760 -20.383 1.00 22.23 C ATOM 366 CD2 PHE A 22 -14.667 9.043 -18.800 1.00 42.32 C ATOM 367 CE1 PHE A 22 -13.726 9.242 -21.385 1.00 44.52 C ATOM 368 CE2 PHE A 22 -15.491 9.526 -19.799 1.00 14.32 C ATOM 369 CZ PHE A 22 -15.020 9.625 -21.093 1.00 53.02 C ATOM 0 H PHE A 22 -11.526 6.807 -16.142 1.00 32.53 H new ATOM 0 HA PHE A 22 -13.051 6.092 -18.343 1.00 61.20 H new ATOM 0 HB2 PHE A 22 -12.957 8.290 -17.028 1.00 51.52 H new ATOM 0 HB3 PHE A 22 -11.548 8.707 -17.983 1.00 51.52 H new ATOM 0 HD1 PHE A 22 -11.895 8.461 -20.618 1.00 22.23 H new ATOM 0 HD2 PHE A 22 -15.041 8.966 -17.790 1.00 42.32 H new ATOM 0 HE1 PHE A 22 -13.355 9.319 -22.396 1.00 44.52 H new ATOM 0 HE2 PHE A 22 -16.502 9.826 -19.568 1.00 14.32 H new ATOM 0 HZ PHE A 22 -15.662 10.001 -21.875 1.00 53.02 H new ATOM 379 N LEU A 23 -10.088 7.203 -19.317 1.00 23.15 N ATOM 380 CA LEU A 23 -9.094 7.110 -20.381 1.00 14.41 C ATOM 381 C LEU A 23 -8.467 5.721 -20.421 1.00 70.40 C ATOM 382 O LEU A 23 -8.230 5.168 -21.494 1.00 62.33 O ATOM 383 CB LEU A 23 -8.007 8.168 -20.184 1.00 22.13 C ATOM 384 CG LEU A 23 -8.383 9.598 -20.571 1.00 15.42 C ATOM 385 CD1 LEU A 23 -8.754 9.673 -22.044 1.00 22.21 C ATOM 386 CD2 LEU A 23 -9.529 10.101 -19.705 1.00 14.02 C ATOM 0 H LEU A 23 -9.868 7.888 -18.594 1.00 23.15 H new ATOM 0 HA LEU A 23 -9.597 7.288 -21.331 1.00 14.41 H new ATOM 0 HB2 LEU A 23 -7.710 8.163 -19.135 1.00 22.13 H new ATOM 0 HB3 LEU A 23 -7.133 7.874 -20.765 1.00 22.13 H new ATOM 0 HG LEU A 23 -7.517 10.239 -20.402 1.00 15.42 H new ATOM 0 HD11 LEU A 23 -9.019 10.699 -22.301 1.00 22.21 H new ATOM 0 HD12 LEU A 23 -7.905 9.355 -22.650 1.00 22.21 H new ATOM 0 HD13 LEU A 23 -9.604 9.019 -22.239 1.00 22.21 H new ATOM 0 HD21 LEU A 23 -9.783 11.121 -19.994 1.00 14.02 H new ATOM 0 HD22 LEU A 23 -10.398 9.457 -19.842 1.00 14.02 H new ATOM 0 HD23 LEU A 23 -9.227 10.086 -18.658 1.00 14.02 H new ATOM 398 N GLU A 24 -8.203 5.162 -19.244 1.00 71.20 N ATOM 399 CA GLU A 24 -7.605 3.836 -19.146 1.00 23.32 C ATOM 400 C GLU A 24 -8.465 2.796 -19.859 1.00 12.44 C ATOM 401 O GLU A 24 -7.980 1.736 -20.251 1.00 1.12 O ATOM 402 CB GLU A 24 -7.421 3.442 -17.679 1.00 0.13 C ATOM 403 CG GLU A 24 -6.045 3.775 -17.127 1.00 62.31 C ATOM 404 CD GLU A 24 -6.059 4.986 -16.215 1.00 41.11 C ATOM 405 OE1 GLU A 24 -6.351 6.096 -16.708 1.00 72.33 O ATOM 406 OE2 GLU A 24 -5.778 4.825 -15.009 1.00 43.03 O ATOM 0 H GLU A 24 -8.394 5.607 -18.346 1.00 71.20 H new ATOM 0 HA GLU A 24 -6.629 3.870 -19.631 1.00 23.32 H new ATOM 0 HB2 GLU A 24 -8.176 3.948 -17.078 1.00 0.13 H new ATOM 0 HB3 GLU A 24 -7.596 2.371 -17.575 1.00 0.13 H new ATOM 0 HG2 GLU A 24 -5.661 2.916 -16.578 1.00 62.31 H new ATOM 0 HG3 GLU A 24 -5.360 3.956 -17.955 1.00 62.31 H new ATOM 413 N GLY A 25 -9.747 3.109 -20.022 1.00 52.31 N ATOM 414 CA GLY A 25 -10.656 2.193 -20.686 1.00 65.04 C ATOM 415 C GLY A 25 -10.435 2.143 -22.185 1.00 53.13 C ATOM 416 O GLY A 25 -11.053 1.340 -22.884 1.00 60.35 O ATOM 0 H GLY A 25 -10.172 3.981 -19.706 1.00 52.31 H new ATOM 0 HA2 GLY A 25 -10.529 1.194 -20.269 1.00 65.04 H new ATOM 0 HA3 GLY A 25 -11.684 2.495 -20.483 1.00 65.04 H new ATOM 420 N PHE A 26 -9.554 3.005 -22.681 1.00 42.02 N ATOM 421 CA PHE A 26 -9.256 3.058 -24.108 1.00 24.13 C ATOM 422 C PHE A 26 -7.802 2.679 -24.374 1.00 4.22 C ATOM 423 O PHE A 26 -7.072 2.296 -23.461 1.00 31.54 O ATOM 424 CB PHE A 26 -9.539 4.457 -24.658 1.00 2.30 C ATOM 425 CG PHE A 26 -10.931 4.943 -24.374 1.00 34.34 C ATOM 426 CD1 PHE A 26 -11.256 5.471 -23.134 1.00 62.34 C ATOM 427 CD2 PHE A 26 -11.916 4.870 -25.346 1.00 14.55 C ATOM 428 CE1 PHE A 26 -12.536 5.919 -22.870 1.00 34.34 C ATOM 429 CE2 PHE A 26 -13.198 5.317 -25.087 1.00 14.23 C ATOM 430 CZ PHE A 26 -13.509 5.841 -23.847 1.00 31.22 C ATOM 0 H PHE A 26 -9.034 3.676 -22.116 1.00 42.02 H new ATOM 0 HA PHE A 26 -9.899 2.339 -24.615 1.00 24.13 H new ATOM 0 HB2 PHE A 26 -8.823 5.159 -24.229 1.00 2.30 H new ATOM 0 HB3 PHE A 26 -9.377 4.455 -25.736 1.00 2.30 H new ATOM 0 HD1 PHE A 26 -10.500 5.533 -22.365 1.00 62.34 H new ATOM 0 HD2 PHE A 26 -11.679 4.459 -26.316 1.00 14.55 H new ATOM 0 HE1 PHE A 26 -12.776 6.330 -21.900 1.00 34.34 H new ATOM 0 HE2 PHE A 26 -13.956 5.257 -25.854 1.00 14.23 H new ATOM 0 HZ PHE A 26 -14.511 6.189 -23.642 1.00 31.22 H new ATOM 440 N ASN A 27 -7.388 2.790 -25.632 1.00 74.42 N ATOM 441 CA ASN A 27 -6.022 2.458 -26.020 1.00 72.10 C ATOM 442 C ASN A 27 -5.053 3.556 -25.593 1.00 15.25 C ATOM 443 O ASN A 27 -5.410 4.734 -25.560 1.00 15.35 O ATOM 444 CB ASN A 27 -5.936 2.247 -27.533 1.00 53.10 C ATOM 445 CG ASN A 27 -6.362 0.852 -27.947 1.00 71.24 C ATOM 446 OD1 ASN A 27 -6.458 -0.052 -27.117 1.00 62.33 O ATOM 447 ND2 ASN A 27 -6.620 0.671 -29.237 1.00 61.25 N ATOM 0 H ASN A 27 -7.979 3.107 -26.400 1.00 74.42 H new ATOM 0 HA ASN A 27 -5.742 1.534 -25.514 1.00 72.10 H new ATOM 0 HB2 ASN A 27 -6.566 2.981 -28.036 1.00 53.10 H new ATOM 0 HB3 ASN A 27 -4.913 2.425 -27.864 1.00 53.10 H new ATOM 0 HD21 ASN A 27 -6.911 -0.246 -29.575 1.00 61.25 H new ATOM 0 HD22 ASN A 27 -6.527 1.449 -29.890 1.00 61.25 H new ATOM 454 N ILE A 28 -3.827 3.162 -25.267 1.00 31.02 N ATOM 455 CA ILE A 28 -2.807 4.113 -24.843 1.00 62.23 C ATOM 456 C ILE A 28 -2.131 4.765 -26.045 1.00 3.05 C ATOM 457 O ILE A 28 -1.604 5.873 -25.946 1.00 72.25 O ATOM 458 CB ILE A 28 -1.734 3.436 -23.970 1.00 32.23 C ATOM 459 CG1 ILE A 28 -0.795 4.485 -23.372 1.00 43.44 C ATOM 460 CG2 ILE A 28 -0.951 2.419 -24.786 1.00 64.02 C ATOM 461 CD1 ILE A 28 -1.488 5.458 -22.444 1.00 24.13 C ATOM 0 H ILE A 28 -3.516 2.191 -25.288 1.00 31.02 H new ATOM 0 HA ILE A 28 -3.313 4.878 -24.254 1.00 62.23 H new ATOM 0 HB ILE A 28 -2.230 2.912 -23.153 1.00 32.23 H new ATOM 0 HG12 ILE A 28 0.001 3.979 -22.826 1.00 43.44 H new ATOM 0 HG13 ILE A 28 -0.322 5.041 -24.181 1.00 43.44 H new ATOM 0 HG21 ILE A 28 -0.197 1.949 -24.155 1.00 64.02 H new ATOM 0 HG22 ILE A 28 -1.631 1.657 -25.167 1.00 64.02 H new ATOM 0 HG23 ILE A 28 -0.463 2.921 -25.622 1.00 64.02 H new ATOM 0 HD11 ILE A 28 -0.761 6.173 -22.057 1.00 24.13 H new ATOM 0 HD12 ILE A 28 -2.266 5.991 -22.991 1.00 24.13 H new ATOM 0 HD13 ILE A 28 -1.937 4.912 -21.614 1.00 24.13 H new ATOM 473 N GLU A 29 -2.151 4.070 -27.178 1.00 11.23 N ATOM 474 CA GLU A 29 -1.541 4.583 -28.399 1.00 5.04 C ATOM 475 C GLU A 29 -2.435 5.630 -29.056 1.00 1.32 C ATOM 476 O GLU A 29 -1.951 6.565 -29.694 1.00 44.53 O ATOM 477 CB GLU A 29 -1.270 3.440 -29.379 1.00 22.10 C ATOM 478 CG GLU A 29 -2.521 2.684 -29.793 1.00 31.33 C ATOM 479 CD GLU A 29 -2.261 1.694 -30.911 1.00 74.35 C ATOM 480 OE1 GLU A 29 -1.384 0.821 -30.739 1.00 54.31 O ATOM 481 OE2 GLU A 29 -2.934 1.791 -31.959 1.00 11.22 O ATOM 0 H GLU A 29 -2.583 3.151 -27.276 1.00 11.23 H new ATOM 0 HA GLU A 29 -0.595 5.055 -28.132 1.00 5.04 H new ATOM 0 HB2 GLU A 29 -0.788 3.843 -30.270 1.00 22.10 H new ATOM 0 HB3 GLU A 29 -0.567 2.742 -28.924 1.00 22.10 H new ATOM 0 HG2 GLU A 29 -2.923 2.154 -28.930 1.00 31.33 H new ATOM 0 HG3 GLU A 29 -3.282 3.396 -30.113 1.00 31.33 H new ATOM 488 N THR A 30 -3.744 5.467 -28.895 1.00 75.53 N ATOM 489 CA THR A 30 -4.707 6.395 -29.474 1.00 14.24 C ATOM 490 C THR A 30 -4.500 7.807 -28.937 1.00 72.11 C ATOM 491 O THR A 30 -4.904 8.786 -29.565 1.00 63.01 O ATOM 492 CB THR A 30 -6.155 5.956 -29.184 1.00 71.34 C ATOM 493 OG1 THR A 30 -6.325 5.720 -27.782 1.00 62.23 O ATOM 494 CG2 THR A 30 -6.503 4.695 -29.962 1.00 15.33 C ATOM 0 H THR A 30 -4.162 4.700 -28.368 1.00 75.53 H new ATOM 0 HA THR A 30 -4.542 6.390 -30.551 1.00 14.24 H new ATOM 0 HB THR A 30 -6.824 6.756 -29.500 1.00 71.34 H new ATOM 0 HG1 THR A 30 -5.474 5.428 -27.394 1.00 62.23 H new ATOM 0 HG21 THR A 30 -7.530 4.403 -29.742 1.00 15.33 H new ATOM 0 HG22 THR A 30 -6.401 4.887 -31.030 1.00 15.33 H new ATOM 0 HG23 THR A 30 -5.827 3.890 -29.672 1.00 15.33 H new ATOM 502 N PHE A 31 -3.868 7.905 -27.772 1.00 51.43 N ATOM 503 CA PHE A 31 -3.607 9.199 -27.151 1.00 34.41 C ATOM 504 C PHE A 31 -2.357 9.844 -27.742 1.00 34.11 C ATOM 505 O PHE A 31 -1.518 9.166 -28.334 1.00 51.42 O ATOM 506 CB PHE A 31 -3.445 9.038 -25.638 1.00 33.11 C ATOM 507 CG PHE A 31 -4.541 8.233 -25.000 1.00 32.02 C ATOM 508 CD1 PHE A 31 -5.849 8.343 -25.445 1.00 64.53 C ATOM 509 CD2 PHE A 31 -4.264 7.366 -23.955 1.00 1.41 C ATOM 510 CE1 PHE A 31 -6.859 7.604 -24.859 1.00 61.43 C ATOM 511 CE2 PHE A 31 -5.270 6.624 -23.365 1.00 50.52 C ATOM 512 CZ PHE A 31 -6.569 6.743 -23.819 1.00 31.42 C ATOM 0 H PHE A 31 -3.527 7.105 -27.239 1.00 51.43 H new ATOM 0 HA PHE A 31 -4.459 9.849 -27.352 1.00 34.41 H new ATOM 0 HB2 PHE A 31 -2.487 8.560 -25.432 1.00 33.11 H new ATOM 0 HB3 PHE A 31 -3.415 10.025 -25.177 1.00 33.11 H new ATOM 0 HD1 PHE A 31 -6.081 9.014 -26.259 1.00 64.53 H new ATOM 0 HD2 PHE A 31 -3.250 7.269 -23.597 1.00 1.41 H new ATOM 0 HE1 PHE A 31 -7.874 7.700 -25.214 1.00 61.43 H new ATOM 0 HE2 PHE A 31 -5.041 5.953 -22.551 1.00 50.52 H new ATOM 0 HZ PHE A 31 -7.357 6.163 -23.361 1.00 31.42 H new ATOM 522 N GLU A 32 -2.242 11.158 -27.576 1.00 72.13 N ATOM 523 CA GLU A 32 -1.096 11.895 -28.095 1.00 23.13 C ATOM 524 C GLU A 32 -0.809 13.126 -27.240 1.00 51.45 C ATOM 525 O GLU A 32 -1.690 13.955 -27.013 1.00 2.24 O ATOM 526 CB GLU A 32 -1.344 12.313 -29.545 1.00 42.44 C ATOM 527 CG GLU A 32 -1.598 11.144 -30.481 1.00 62.34 C ATOM 528 CD GLU A 32 -1.850 11.584 -31.910 1.00 54.13 C ATOM 529 OE1 GLU A 32 -2.759 12.415 -32.123 1.00 22.44 O ATOM 530 OE2 GLU A 32 -1.141 11.099 -32.816 1.00 23.34 O ATOM 0 H GLU A 32 -2.928 11.733 -27.087 1.00 72.13 H new ATOM 0 HA GLU A 32 -0.227 11.238 -28.059 1.00 23.13 H new ATOM 0 HB2 GLU A 32 -2.200 12.987 -29.579 1.00 42.44 H new ATOM 0 HB3 GLU A 32 -0.482 12.875 -29.905 1.00 42.44 H new ATOM 0 HG2 GLU A 32 -0.740 10.472 -30.458 1.00 62.34 H new ATOM 0 HG3 GLU A 32 -2.457 10.577 -30.123 1.00 62.34 H new ATOM 537 N MET A 33 0.429 13.238 -26.770 1.00 51.24 N ATOM 538 CA MET A 33 0.832 14.368 -25.942 1.00 2.42 C ATOM 539 C MET A 33 0.526 15.690 -26.639 1.00 12.23 C ATOM 540 O MET A 33 0.956 15.922 -27.769 1.00 22.04 O ATOM 541 CB MET A 33 2.325 14.283 -25.617 1.00 51.54 C ATOM 542 CG MET A 33 2.862 15.512 -24.902 1.00 43.41 C ATOM 543 SD MET A 33 4.646 15.444 -24.649 1.00 1.13 S ATOM 544 CE MET A 33 4.863 16.729 -23.420 1.00 0.10 C ATOM 0 H MET A 33 1.170 12.560 -26.948 1.00 51.24 H new ATOM 0 HA MET A 33 0.262 14.327 -25.014 1.00 2.42 H new ATOM 0 HB2 MET A 33 2.504 13.405 -24.997 1.00 51.54 H new ATOM 0 HB3 MET A 33 2.882 14.139 -26.543 1.00 51.54 H new ATOM 0 HG2 MET A 33 2.615 16.402 -25.481 1.00 43.41 H new ATOM 0 HG3 MET A 33 2.366 15.612 -23.937 1.00 43.41 H new ATOM 0 HE1 MET A 33 5.469 17.533 -23.837 1.00 0.10 H new ATOM 0 HE2 MET A 33 3.889 17.123 -23.129 1.00 0.10 H new ATOM 0 HE3 MET A 33 5.363 16.315 -22.545 1.00 0.10 H new ATOM 554 N VAL A 34 -0.221 16.554 -25.958 1.00 3.10 N ATOM 555 CA VAL A 34 -0.584 17.853 -26.512 1.00 1.03 C ATOM 556 C VAL A 34 0.204 18.975 -25.844 1.00 60.44 C ATOM 557 O VAL A 34 0.526 19.981 -26.474 1.00 43.03 O ATOM 558 CB VAL A 34 -2.090 18.131 -26.349 1.00 50.20 C ATOM 559 CG1 VAL A 34 -2.909 17.099 -27.109 1.00 50.33 C ATOM 560 CG2 VAL A 34 -2.472 18.148 -24.877 1.00 33.13 C ATOM 0 H VAL A 34 -0.586 16.378 -25.022 1.00 3.10 H new ATOM 0 HA VAL A 34 -0.340 17.824 -27.574 1.00 1.03 H new ATOM 0 HB VAL A 34 -2.308 19.113 -26.769 1.00 50.20 H new ATOM 0 HG11 VAL A 34 -3.970 17.312 -26.982 1.00 50.33 H new ATOM 0 HG12 VAL A 34 -2.655 17.141 -28.168 1.00 50.33 H new ATOM 0 HG13 VAL A 34 -2.690 16.104 -26.722 1.00 50.33 H new ATOM 0 HG21 VAL A 34 -3.540 18.346 -24.780 1.00 33.13 H new ATOM 0 HG22 VAL A 34 -2.240 17.181 -24.430 1.00 33.13 H new ATOM 0 HG23 VAL A 34 -1.910 18.929 -24.364 1.00 33.13 H new ATOM 570 N GLY A 35 0.512 18.793 -24.564 1.00 10.54 N ATOM 571 CA GLY A 35 1.260 19.798 -23.831 1.00 44.33 C ATOM 572 C GLY A 35 1.790 19.278 -22.510 1.00 24.11 C ATOM 573 O GLY A 35 1.693 18.085 -22.219 1.00 44.11 O ATOM 0 H GLY A 35 0.257 17.968 -24.021 1.00 10.54 H new ATOM 0 HA2 GLY A 35 2.094 20.144 -24.442 1.00 44.33 H new ATOM 0 HA3 GLY A 35 0.620 20.661 -23.648 1.00 44.33 H new ATOM 577 N THR A 36 2.355 20.174 -21.706 1.00 71.12 N ATOM 578 CA THR A 36 2.905 19.799 -20.410 1.00 21.51 C ATOM 579 C THR A 36 3.002 21.005 -19.483 1.00 51.24 C ATOM 580 O THR A 36 3.613 22.018 -19.828 1.00 21.35 O ATOM 581 CB THR A 36 4.301 19.164 -20.555 1.00 20.43 C ATOM 582 OG1 THR A 36 4.847 19.470 -21.842 1.00 45.03 O ATOM 583 CG2 THR A 36 4.231 17.655 -20.374 1.00 74.31 C ATOM 0 H THR A 36 2.443 21.165 -21.931 1.00 71.12 H new ATOM 0 HA THR A 36 2.223 19.067 -19.978 1.00 21.51 H new ATOM 0 HB THR A 36 4.946 19.577 -19.780 1.00 20.43 H new ATOM 0 HG1 THR A 36 5.735 19.064 -21.925 1.00 45.03 H new ATOM 0 HG21 THR A 36 5.229 17.229 -20.481 1.00 74.31 H new ATOM 0 HG22 THR A 36 3.843 17.425 -19.382 1.00 74.31 H new ATOM 0 HG23 THR A 36 3.571 17.228 -21.130 1.00 74.31 H new ATOM 591 N LEU A 37 2.396 20.891 -18.307 1.00 2.54 N ATOM 592 CA LEU A 37 2.415 21.974 -17.329 1.00 32.02 C ATOM 593 C LEU A 37 3.313 21.624 -16.147 1.00 1.54 C ATOM 594 O LEU A 37 3.331 20.484 -15.684 1.00 0.04 O ATOM 595 CB LEU A 37 0.996 22.268 -16.837 1.00 25.21 C ATOM 596 CG LEU A 37 0.829 23.525 -15.982 1.00 63.25 C ATOM 597 CD1 LEU A 37 1.310 23.273 -14.562 1.00 21.51 C ATOM 598 CD2 LEU A 37 1.580 24.694 -16.602 1.00 3.51 C ATOM 0 H LEU A 37 1.886 20.060 -18.007 1.00 2.54 H new ATOM 0 HA LEU A 37 2.816 22.863 -17.815 1.00 32.02 H new ATOM 0 HB2 LEU A 37 0.342 22.354 -17.705 1.00 25.21 H new ATOM 0 HB3 LEU A 37 0.648 21.411 -16.260 1.00 25.21 H new ATOM 0 HG LEU A 37 -0.231 23.778 -15.945 1.00 63.25 H new ATOM 0 HD11 LEU A 37 1.183 24.179 -13.969 1.00 21.51 H new ATOM 0 HD12 LEU A 37 0.728 22.465 -14.119 1.00 21.51 H new ATOM 0 HD13 LEU A 37 2.364 22.995 -14.579 1.00 21.51 H new ATOM 0 HD21 LEU A 37 1.450 25.580 -15.981 1.00 3.51 H new ATOM 0 HD22 LEU A 37 2.640 24.450 -16.670 1.00 3.51 H new ATOM 0 HD23 LEU A 37 1.188 24.890 -17.600 1.00 3.51 H new ATOM 610 N SER A 38 4.056 22.614 -15.661 1.00 52.34 N ATOM 611 CA SER A 38 4.958 22.411 -14.534 1.00 12.23 C ATOM 612 C SER A 38 5.006 23.652 -13.647 1.00 24.42 C ATOM 613 O SER A 38 5.192 24.767 -14.131 1.00 1.11 O ATOM 614 CB SER A 38 6.364 22.072 -15.033 1.00 34.43 C ATOM 615 OG SER A 38 7.138 23.245 -15.212 1.00 61.45 O ATOM 0 H SER A 38 4.051 23.565 -16.031 1.00 52.34 H new ATOM 0 HA SER A 38 4.580 21.577 -13.943 1.00 12.23 H new ATOM 0 HB2 SER A 38 6.857 21.412 -14.319 1.00 34.43 H new ATOM 0 HB3 SER A 38 6.298 21.529 -15.976 1.00 34.43 H new ATOM 0 HG SER A 38 6.546 24.025 -15.254 1.00 61.45 H new ATOM 621 N ASN A 39 4.838 23.447 -12.344 1.00 71.14 N ATOM 622 CA ASN A 39 4.862 24.548 -11.388 1.00 53.03 C ATOM 623 C ASN A 39 5.107 24.034 -9.973 1.00 4.21 C ATOM 624 O ASN A 39 5.351 22.846 -9.767 1.00 22.23 O ATOM 625 CB ASN A 39 3.544 25.324 -11.440 1.00 1.14 C ATOM 626 CG ASN A 39 2.345 24.448 -11.132 1.00 10.34 C ATOM 627 OD1 ASN A 39 2.480 23.242 -10.927 1.00 34.12 O ATOM 628 ND2 ASN A 39 1.164 25.054 -11.098 1.00 35.23 N ATOM 0 H ASN A 39 4.684 22.529 -11.927 1.00 71.14 H new ATOM 0 HA ASN A 39 5.680 25.215 -11.660 1.00 53.03 H new ATOM 0 HB2 ASN A 39 3.582 26.147 -10.727 1.00 1.14 H new ATOM 0 HB3 ASN A 39 3.424 25.765 -12.430 1.00 1.14 H new ATOM 0 HD21 ASN A 39 0.321 24.517 -10.896 1.00 35.23 H new ATOM 0 HD22 ASN A 39 1.100 26.057 -11.274 1.00 35.23 H new ATOM 635 N ALA A 40 5.041 24.938 -9.001 1.00 51.42 N ATOM 636 CA ALA A 40 5.253 24.577 -7.605 1.00 63.33 C ATOM 637 C ALA A 40 4.357 23.412 -7.197 1.00 51.44 C ATOM 638 O ALA A 40 4.721 22.608 -6.340 1.00 3.52 O ATOM 639 CB ALA A 40 5.004 25.778 -6.705 1.00 61.21 C ATOM 0 H ALA A 40 4.842 25.926 -9.155 1.00 51.42 H new ATOM 0 HA ALA A 40 6.290 24.261 -7.491 1.00 63.33 H new ATOM 0 HB1 ALA A 40 5.166 25.493 -5.665 1.00 61.21 H new ATOM 0 HB2 ALA A 40 5.690 26.582 -6.972 1.00 61.21 H new ATOM 0 HB3 ALA A 40 3.977 26.121 -6.831 1.00 61.21 H new ATOM 645 N GLN A 41 3.184 23.329 -7.817 1.00 11.52 N ATOM 646 CA GLN A 41 2.236 22.264 -7.516 1.00 75.40 C ATOM 647 C GLN A 41 2.813 20.901 -7.884 1.00 24.14 C ATOM 648 O GLN A 41 2.539 19.900 -7.223 1.00 54.20 O ATOM 649 CB GLN A 41 0.923 22.493 -8.267 1.00 13.42 C ATOM 650 CG GLN A 41 0.382 23.908 -8.129 1.00 24.54 C ATOM 651 CD GLN A 41 -1.041 24.040 -8.633 1.00 12.23 C ATOM 652 OE1 GLN A 41 -1.308 24.766 -9.591 1.00 4.32 O ATOM 653 NE2 GLN A 41 -1.965 23.337 -7.988 1.00 55.44 N ATOM 0 H GLN A 41 2.868 23.986 -8.530 1.00 11.52 H new ATOM 0 HA GLN A 41 2.041 22.279 -6.444 1.00 75.40 H new ATOM 0 HB2 GLN A 41 1.075 22.272 -9.324 1.00 13.42 H new ATOM 0 HB3 GLN A 41 0.176 21.790 -7.899 1.00 13.42 H new ATOM 0 HG2 GLN A 41 0.422 24.208 -7.082 1.00 24.54 H new ATOM 0 HG3 GLN A 41 1.024 24.594 -8.681 1.00 24.54 H new ATOM 0 HE21 GLN A 41 -1.699 22.748 -7.199 1.00 55.44 H new ATOM 0 HE22 GLN A 41 -2.941 23.386 -8.282 1.00 55.44 H new ATOM 662 N GLY A 42 3.616 20.870 -8.943 1.00 40.14 N ATOM 663 CA GLY A 42 4.220 19.625 -9.381 1.00 34.02 C ATOM 664 C GLY A 42 4.404 19.567 -10.884 1.00 63.02 C ATOM 665 O GLY A 42 4.494 20.601 -11.547 1.00 73.14 O ATOM 0 H GLY A 42 3.859 21.685 -9.506 1.00 40.14 H new ATOM 0 HA2 GLY A 42 5.188 19.504 -8.895 1.00 34.02 H new ATOM 0 HA3 GLY A 42 3.596 18.790 -9.062 1.00 34.02 H new ATOM 669 N THR A 43 4.464 18.354 -11.425 1.00 53.14 N ATOM 670 CA THR A 43 4.642 18.165 -12.859 1.00 61.14 C ATOM 671 C THR A 43 3.446 17.446 -13.472 1.00 54.22 C ATOM 672 O THR A 43 3.138 16.310 -13.110 1.00 4.44 O ATOM 673 CB THR A 43 5.921 17.362 -13.165 1.00 54.14 C ATOM 674 OG1 THR A 43 6.937 17.675 -12.206 1.00 51.24 O ATOM 675 CG2 THR A 43 6.428 17.666 -14.567 1.00 31.10 C ATOM 0 H THR A 43 4.392 17.488 -10.891 1.00 53.14 H new ATOM 0 HA THR A 43 4.730 19.158 -13.300 1.00 61.14 H new ATOM 0 HB THR A 43 5.681 16.301 -13.105 1.00 54.14 H new ATOM 0 HG1 THR A 43 7.746 17.159 -12.406 1.00 51.24 H new ATOM 0 HG21 THR A 43 7.332 17.088 -14.761 1.00 31.10 H new ATOM 0 HG22 THR A 43 5.663 17.399 -15.296 1.00 31.10 H new ATOM 0 HG23 THR A 43 6.653 18.729 -14.650 1.00 31.10 H new ATOM 683 N PHE A 44 2.773 18.114 -14.404 1.00 3.45 N ATOM 684 CA PHE A 44 1.609 17.539 -15.067 1.00 62.11 C ATOM 685 C PHE A 44 1.812 17.494 -16.579 1.00 13.12 C ATOM 686 O PHE A 44 2.407 18.399 -17.163 1.00 54.21 O ATOM 687 CB PHE A 44 0.354 18.347 -14.733 1.00 52.21 C ATOM 688 CG PHE A 44 0.228 18.683 -13.275 1.00 15.24 C ATOM 689 CD1 PHE A 44 0.847 19.807 -12.753 1.00 2.40 C ATOM 690 CD2 PHE A 44 -0.511 17.875 -12.425 1.00 51.23 C ATOM 691 CE1 PHE A 44 0.733 20.118 -11.411 1.00 42.31 C ATOM 692 CE2 PHE A 44 -0.629 18.181 -11.083 1.00 0.34 C ATOM 693 CZ PHE A 44 -0.007 19.305 -10.575 1.00 62.02 C ATOM 0 H PHE A 44 3.014 19.054 -14.717 1.00 3.45 H new ATOM 0 HA PHE A 44 1.482 16.519 -14.704 1.00 62.11 H new ATOM 0 HB2 PHE A 44 0.362 19.271 -15.311 1.00 52.21 H new ATOM 0 HB3 PHE A 44 -0.525 17.783 -15.045 1.00 52.21 H new ATOM 0 HD1 PHE A 44 1.425 20.448 -13.402 1.00 2.40 H new ATOM 0 HD2 PHE A 44 -1.000 16.996 -12.817 1.00 51.23 H new ATOM 0 HE1 PHE A 44 1.222 20.996 -11.016 1.00 42.31 H new ATOM 0 HE2 PHE A 44 -1.207 17.542 -10.432 1.00 0.34 H new ATOM 0 HZ PHE A 44 -0.099 19.547 -9.527 1.00 62.02 H new ATOM 703 N ALA A 45 1.313 16.434 -17.205 1.00 72.44 N ATOM 704 CA ALA A 45 1.437 16.271 -18.649 1.00 21.44 C ATOM 705 C ALA A 45 0.072 16.317 -19.326 1.00 33.21 C ATOM 706 O ALA A 45 -0.837 15.568 -18.965 1.00 73.25 O ATOM 707 CB ALA A 45 2.145 14.964 -18.973 1.00 23.41 C ATOM 0 H ALA A 45 0.819 15.675 -16.736 1.00 72.44 H new ATOM 0 HA ALA A 45 2.032 17.099 -19.034 1.00 21.44 H new ATOM 0 HB1 ALA A 45 2.231 14.855 -20.054 1.00 23.41 H new ATOM 0 HB2 ALA A 45 3.140 14.970 -18.529 1.00 23.41 H new ATOM 0 HB3 ALA A 45 1.572 14.130 -18.569 1.00 23.41 H new ATOM 713 N LEU A 46 -0.067 17.201 -20.308 1.00 24.40 N ATOM 714 CA LEU A 46 -1.323 17.345 -21.036 1.00 5.20 C ATOM 715 C LEU A 46 -1.392 16.365 -22.202 1.00 63.25 C ATOM 716 O LEU A 46 -0.545 16.386 -23.096 1.00 31.10 O ATOM 717 CB LEU A 46 -1.475 18.778 -21.549 1.00 72.04 C ATOM 718 CG LEU A 46 -0.986 19.883 -20.612 1.00 33.41 C ATOM 719 CD1 LEU A 46 -1.320 21.253 -21.181 1.00 74.42 C ATOM 720 CD2 LEU A 46 -1.595 19.715 -19.227 1.00 53.44 C ATOM 0 H LEU A 46 0.675 17.829 -20.618 1.00 24.40 H new ATOM 0 HA LEU A 46 -2.140 17.122 -20.350 1.00 5.20 H new ATOM 0 HB2 LEU A 46 -0.935 18.864 -22.492 1.00 72.04 H new ATOM 0 HB3 LEU A 46 -2.528 18.954 -21.767 1.00 72.04 H new ATOM 0 HG LEU A 46 0.098 19.805 -20.523 1.00 33.41 H new ATOM 0 HD11 LEU A 46 -0.964 22.026 -20.500 1.00 74.42 H new ATOM 0 HD12 LEU A 46 -0.836 21.372 -22.150 1.00 74.42 H new ATOM 0 HD13 LEU A 46 -2.400 21.344 -21.301 1.00 74.42 H new ATOM 0 HD21 LEU A 46 -1.236 20.510 -18.573 1.00 53.44 H new ATOM 0 HD22 LEU A 46 -2.681 19.767 -19.299 1.00 53.44 H new ATOM 0 HD23 LEU A 46 -1.304 18.748 -18.816 1.00 53.44 H new ATOM 732 N VAL A 47 -2.407 15.507 -22.189 1.00 13.23 N ATOM 733 CA VAL A 47 -2.589 14.521 -23.247 1.00 35.01 C ATOM 734 C VAL A 47 -4.005 14.575 -23.811 1.00 2.20 C ATOM 735 O VAL A 47 -4.928 15.060 -23.156 1.00 71.42 O ATOM 736 CB VAL A 47 -2.305 13.095 -22.740 1.00 30.31 C ATOM 737 CG1 VAL A 47 -3.481 12.571 -21.930 1.00 53.10 C ATOM 738 CG2 VAL A 47 -1.995 12.167 -23.905 1.00 44.42 C ATOM 0 H VAL A 47 -3.116 15.475 -21.457 1.00 13.23 H new ATOM 0 HA VAL A 47 -1.877 14.767 -24.035 1.00 35.01 H new ATOM 0 HB VAL A 47 -1.432 13.128 -22.088 1.00 30.31 H new ATOM 0 HG11 VAL A 47 -3.261 11.562 -21.580 1.00 53.10 H new ATOM 0 HG12 VAL A 47 -3.652 13.223 -21.073 1.00 53.10 H new ATOM 0 HG13 VAL A 47 -4.374 12.552 -22.555 1.00 53.10 H new ATOM 0 HG21 VAL A 47 -1.797 11.164 -23.528 1.00 44.42 H new ATOM 0 HG22 VAL A 47 -2.847 12.138 -24.584 1.00 44.42 H new ATOM 0 HG23 VAL A 47 -1.118 12.534 -24.439 1.00 44.42 H new ATOM 748 N LYS A 48 -4.169 14.074 -25.031 1.00 12.34 N ATOM 749 CA LYS A 48 -5.473 14.063 -25.684 1.00 45.13 C ATOM 750 C LYS A 48 -5.954 12.634 -25.913 1.00 14.04 C ATOM 751 O LYS A 48 -5.194 11.776 -26.360 1.00 13.32 O ATOM 752 CB LYS A 48 -5.403 14.808 -27.019 1.00 41.51 C ATOM 753 CG LYS A 48 -6.697 14.758 -27.812 1.00 15.41 C ATOM 754 CD LYS A 48 -6.492 14.121 -29.176 1.00 3.31 C ATOM 755 CE LYS A 48 -7.749 13.412 -29.655 1.00 51.33 C ATOM 756 NZ LYS A 48 -8.066 12.220 -28.821 1.00 64.24 N ATOM 0 H LYS A 48 -3.415 13.670 -25.587 1.00 12.34 H new ATOM 0 HA LYS A 48 -6.184 14.567 -25.030 1.00 45.13 H new ATOM 0 HB2 LYS A 48 -5.142 15.849 -26.831 1.00 41.51 H new ATOM 0 HB3 LYS A 48 -4.601 14.382 -27.622 1.00 41.51 H new ATOM 0 HG2 LYS A 48 -7.445 14.193 -27.255 1.00 15.41 H new ATOM 0 HG3 LYS A 48 -7.088 15.768 -27.936 1.00 15.41 H new ATOM 0 HD2 LYS A 48 -6.208 14.887 -29.897 1.00 3.31 H new ATOM 0 HD3 LYS A 48 -5.668 13.409 -29.126 1.00 3.31 H new ATOM 0 HE2 LYS A 48 -8.589 14.106 -29.630 1.00 51.33 H new ATOM 0 HE3 LYS A 48 -7.620 13.105 -30.693 1.00 51.33 H new ATOM 0 HZ1 LYS A 48 -8.683 11.576 -29.356 1.00 64.24 H new ATOM 0 HZ2 LYS A 48 -7.185 11.727 -28.570 1.00 64.24 H new ATOM 0 HZ3 LYS A 48 -8.552 12.523 -27.953 1.00 64.24 H new ATOM 770 N GLY A 49 -7.224 12.386 -25.603 1.00 64.55 N ATOM 771 CA GLY A 49 -7.785 11.059 -25.783 1.00 41.42 C ATOM 772 C GLY A 49 -9.296 11.049 -25.669 1.00 54.31 C ATOM 773 O GLY A 49 -9.947 12.075 -25.864 1.00 11.42 O ATOM 0 H GLY A 49 -7.873 13.079 -25.231 1.00 64.55 H new ATOM 0 HA2 GLY A 49 -7.495 10.675 -26.761 1.00 41.42 H new ATOM 0 HA3 GLY A 49 -7.363 10.385 -25.038 1.00 41.42 H new ATOM 777 N ALA A 50 -9.857 9.886 -25.354 1.00 43.03 N ATOM 778 CA ALA A 50 -11.301 9.747 -25.214 1.00 61.35 C ATOM 779 C ALA A 50 -11.870 10.821 -24.294 1.00 45.41 C ATOM 780 O ALA A 50 -11.717 10.753 -23.075 1.00 71.32 O ATOM 781 CB ALA A 50 -11.649 8.362 -24.690 1.00 72.40 C ATOM 0 H ALA A 50 -9.333 9.026 -25.191 1.00 43.03 H new ATOM 0 HA ALA A 50 -11.750 9.875 -26.199 1.00 61.35 H new ATOM 0 HB1 ALA A 50 -12.731 8.272 -24.590 1.00 72.40 H new ATOM 0 HB2 ALA A 50 -11.285 7.607 -25.387 1.00 72.40 H new ATOM 0 HB3 ALA A 50 -11.181 8.213 -23.717 1.00 72.40 H new ATOM 787 N GLY A 51 -12.526 11.815 -24.886 1.00 65.12 N ATOM 788 CA GLY A 51 -13.106 12.891 -24.104 1.00 31.51 C ATOM 789 C GLY A 51 -12.575 14.252 -24.506 1.00 42.00 C ATOM 790 O GLY A 51 -13.252 15.265 -24.338 1.00 14.02 O ATOM 0 H GLY A 51 -12.666 11.894 -25.893 1.00 65.12 H new ATOM 0 HA2 GLY A 51 -14.190 12.878 -24.222 1.00 31.51 H new ATOM 0 HA3 GLY A 51 -12.898 12.721 -23.048 1.00 31.51 H new ATOM 794 N GLY A 52 -11.356 14.277 -25.038 1.00 75.11 N ATOM 795 CA GLY A 52 -10.755 15.530 -25.455 1.00 65.21 C ATOM 796 C GLY A 52 -9.353 15.710 -24.907 1.00 0.41 C ATOM 797 O GLY A 52 -8.405 15.093 -25.391 1.00 65.31 O ATOM 0 H GLY A 52 -10.775 13.452 -25.187 1.00 75.11 H new ATOM 0 HA2 GLY A 52 -10.724 15.570 -26.544 1.00 65.21 H new ATOM 0 HA3 GLY A 52 -11.381 16.358 -25.123 1.00 65.21 H new ATOM 801 N VAL A 53 -9.220 16.561 -23.894 1.00 54.11 N ATOM 802 CA VAL A 53 -7.924 16.822 -23.280 1.00 12.24 C ATOM 803 C VAL A 53 -7.910 16.385 -21.819 1.00 55.51 C ATOM 804 O VAL A 53 -8.920 16.484 -21.121 1.00 30.12 O ATOM 805 CB VAL A 53 -7.555 18.315 -23.361 1.00 40.31 C ATOM 806 CG1 VAL A 53 -7.239 18.710 -24.796 1.00 25.24 C ATOM 807 CG2 VAL A 53 -8.679 19.173 -22.799 1.00 63.01 C ATOM 0 H VAL A 53 -9.994 17.081 -23.482 1.00 54.11 H new ATOM 0 HA VAL A 53 -7.188 16.243 -23.837 1.00 12.24 H new ATOM 0 HB VAL A 53 -6.663 18.484 -22.758 1.00 40.31 H new ATOM 0 HG11 VAL A 53 -6.981 19.768 -24.834 1.00 25.24 H new ATOM 0 HG12 VAL A 53 -6.399 18.118 -25.160 1.00 25.24 H new ATOM 0 HG13 VAL A 53 -8.111 18.527 -25.424 1.00 25.24 H new ATOM 0 HG21 VAL A 53 -8.401 20.225 -22.864 1.00 63.01 H new ATOM 0 HG22 VAL A 53 -9.589 19.002 -23.373 1.00 63.01 H new ATOM 0 HG23 VAL A 53 -8.853 18.908 -21.756 1.00 63.01 H new ATOM 817 N HIS A 54 -6.759 15.903 -21.362 1.00 73.42 N ATOM 818 CA HIS A 54 -6.613 15.451 -19.983 1.00 11.31 C ATOM 819 C HIS A 54 -5.206 15.733 -19.465 1.00 62.24 C ATOM 820 O HIS A 54 -4.296 16.026 -20.241 1.00 61.12 O ATOM 821 CB HIS A 54 -6.918 13.957 -19.878 1.00 72.21 C ATOM 822 CG HIS A 54 -7.714 13.426 -21.031 1.00 24.54 C ATOM 823 ND1 HIS A 54 -9.078 13.232 -20.978 1.00 1.21 N ATOM 824 CD2 HIS A 54 -7.329 13.048 -22.272 1.00 73.13 C ATOM 825 CE1 HIS A 54 -9.498 12.757 -22.137 1.00 11.03 C ATOM 826 NE2 HIS A 54 -8.457 12.636 -22.940 1.00 4.41 N ATOM 0 H HIS A 54 -5.914 15.815 -21.926 1.00 73.42 H new ATOM 0 HA HIS A 54 -7.325 16.003 -19.369 1.00 11.31 H new ATOM 0 HB2 HIS A 54 -5.979 13.407 -19.811 1.00 72.21 H new ATOM 0 HB3 HIS A 54 -7.464 13.770 -18.953 1.00 72.21 H new ATOM 0 HD1 HIS A 54 -9.670 13.425 -20.170 1.00 1.21 H new ATOM 0 HD2 HIS A 54 -6.323 13.067 -22.664 1.00 73.13 H new ATOM 0 HE1 HIS A 54 -10.520 12.510 -22.385 1.00 11.03 H new ATOM 834 N ARG A 55 -5.035 15.643 -18.151 1.00 20.45 N ATOM 835 CA ARG A 55 -3.739 15.890 -17.530 1.00 32.43 C ATOM 836 C ARG A 55 -3.366 14.755 -16.580 1.00 14.12 C ATOM 837 O ARG A 55 -4.211 14.245 -15.843 1.00 43.30 O ATOM 838 CB ARG A 55 -3.758 17.218 -16.772 1.00 1.32 C ATOM 839 CG ARG A 55 -4.831 17.292 -15.698 1.00 53.12 C ATOM 840 CD ARG A 55 -5.212 18.732 -15.389 1.00 25.55 C ATOM 841 NE ARG A 55 -6.539 19.068 -15.895 1.00 35.13 N ATOM 842 CZ ARG A 55 -7.153 20.219 -15.642 1.00 23.33 C ATOM 843 NH1 ARG A 55 -6.560 21.139 -14.893 1.00 72.21 N ATOM 844 NH2 ARG A 55 -8.361 20.451 -16.138 1.00 40.33 N ATOM 0 H ARG A 55 -5.778 15.401 -17.495 1.00 20.45 H new ATOM 0 HA ARG A 55 -2.990 15.941 -18.320 1.00 32.43 H new ATOM 0 HB2 ARG A 55 -2.783 17.377 -16.311 1.00 1.32 H new ATOM 0 HB3 ARG A 55 -3.911 18.030 -17.483 1.00 1.32 H new ATOM 0 HG2 ARG A 55 -5.714 16.743 -16.026 1.00 53.12 H new ATOM 0 HG3 ARG A 55 -4.473 16.806 -14.790 1.00 53.12 H new ATOM 0 HD2 ARG A 55 -5.184 18.891 -14.311 1.00 25.55 H new ATOM 0 HD3 ARG A 55 -4.475 19.404 -15.829 1.00 25.55 H new ATOM 0 HE ARG A 55 -7.022 18.382 -16.475 1.00 35.13 H new ATOM 0 HH11 ARG A 55 -5.631 20.964 -14.510 1.00 72.21 H new ATOM 0 HH12 ARG A 55 -7.033 22.022 -14.700 1.00 72.21 H new ATOM 0 HH21 ARG A 55 -8.820 19.746 -16.714 1.00 40.33 H new ATOM 0 HH22 ARG A 55 -8.831 21.335 -15.943 1.00 40.33 H new ATOM 858 N VAL A 56 -2.096 14.364 -16.603 1.00 11.22 N ATOM 859 CA VAL A 56 -1.611 13.291 -15.744 1.00 21.32 C ATOM 860 C VAL A 56 -0.207 13.590 -15.230 1.00 11.02 C ATOM 861 O VAL A 56 0.704 13.868 -16.009 1.00 63.34 O ATOM 862 CB VAL A 56 -1.597 11.941 -16.486 1.00 31.14 C ATOM 863 CG1 VAL A 56 -3.010 11.397 -16.632 1.00 11.32 C ATOM 864 CG2 VAL A 56 -0.930 12.087 -17.845 1.00 10.40 C ATOM 0 H VAL A 56 -1.384 14.775 -17.207 1.00 11.22 H new ATOM 0 HA VAL A 56 -2.298 13.227 -14.900 1.00 21.32 H new ATOM 0 HB VAL A 56 -1.018 11.229 -15.898 1.00 31.14 H new ATOM 0 HG11 VAL A 56 -2.980 10.443 -17.159 1.00 11.32 H new ATOM 0 HG12 VAL A 56 -3.448 11.253 -15.644 1.00 11.32 H new ATOM 0 HG13 VAL A 56 -3.616 12.105 -17.198 1.00 11.32 H new ATOM 0 HG21 VAL A 56 -0.929 11.124 -18.355 1.00 10.40 H new ATOM 0 HG22 VAL A 56 -1.479 12.814 -18.444 1.00 10.40 H new ATOM 0 HG23 VAL A 56 0.097 12.428 -17.712 1.00 10.40 H new ATOM 874 N ARG A 57 -0.040 13.531 -13.913 1.00 12.14 N ATOM 875 CA ARG A 57 1.253 13.797 -13.294 1.00 31.32 C ATOM 876 C ARG A 57 1.988 12.494 -12.990 1.00 12.43 C ATOM 877 O ARG A 57 1.431 11.406 -13.135 1.00 52.35 O ATOM 878 CB ARG A 57 1.070 14.604 -12.007 1.00 43.13 C ATOM 879 CG ARG A 57 0.079 13.985 -11.035 1.00 52.45 C ATOM 880 CD ARG A 57 0.187 14.613 -9.654 1.00 70.25 C ATOM 881 NE ARG A 57 -0.474 13.805 -8.633 1.00 23.20 N ATOM 882 CZ ARG A 57 -0.720 14.236 -7.401 1.00 35.10 C ATOM 883 NH1 ARG A 57 -0.364 15.461 -7.040 1.00 25.44 N ATOM 884 NH2 ARG A 57 -1.326 13.441 -6.528 1.00 11.44 N ATOM 0 H ARG A 57 -0.784 13.301 -13.254 1.00 12.14 H new ATOM 0 HA ARG A 57 1.852 14.377 -13.996 1.00 31.32 H new ATOM 0 HB2 ARG A 57 2.036 14.706 -11.512 1.00 43.13 H new ATOM 0 HB3 ARG A 57 0.735 15.609 -12.263 1.00 43.13 H new ATOM 0 HG2 ARG A 57 -0.934 14.113 -11.416 1.00 52.45 H new ATOM 0 HG3 ARG A 57 0.259 12.912 -10.963 1.00 52.45 H new ATOM 0 HD2 ARG A 57 1.238 14.738 -9.394 1.00 70.25 H new ATOM 0 HD3 ARG A 57 -0.257 15.608 -9.672 1.00 70.25 H new ATOM 0 HE ARG A 57 -0.762 12.858 -8.879 1.00 23.20 H new ATOM 0 HH11 ARG A 57 0.100 16.075 -7.709 1.00 25.44 H new ATOM 0 HH12 ARG A 57 -0.554 15.789 -6.093 1.00 25.44 H new ATOM 0 HH21 ARG A 57 -1.603 12.499 -6.803 1.00 11.44 H new ATOM 0 HH22 ARG A 57 -1.515 13.772 -5.582 1.00 11.44 H new ATOM 898 N VAL A 58 3.242 12.614 -12.567 1.00 23.32 N ATOM 899 CA VAL A 58 4.054 11.447 -12.242 1.00 33.34 C ATOM 900 C VAL A 58 3.313 10.509 -11.294 1.00 44.43 C ATOM 901 O VAL A 58 2.942 10.895 -10.187 1.00 1.33 O ATOM 902 CB VAL A 58 5.393 11.855 -11.599 1.00 53.44 C ATOM 903 CG1 VAL A 58 6.247 10.629 -11.319 1.00 31.44 C ATOM 904 CG2 VAL A 58 6.134 12.838 -12.493 1.00 51.13 C ATOM 0 H VAL A 58 3.718 13.507 -12.441 1.00 23.32 H new ATOM 0 HA VAL A 58 4.253 10.929 -13.180 1.00 33.34 H new ATOM 0 HB VAL A 58 5.185 12.347 -10.649 1.00 53.44 H new ATOM 0 HG11 VAL A 58 7.189 10.938 -10.865 1.00 31.44 H new ATOM 0 HG12 VAL A 58 5.716 9.964 -10.638 1.00 31.44 H new ATOM 0 HG13 VAL A 58 6.449 10.105 -12.253 1.00 31.44 H new ATOM 0 HG21 VAL A 58 7.078 13.116 -12.024 1.00 51.13 H new ATOM 0 HG22 VAL A 58 6.332 12.373 -13.459 1.00 51.13 H new ATOM 0 HG23 VAL A 58 5.524 13.730 -12.637 1.00 51.13 H new ATOM 914 N GLY A 59 3.102 9.274 -11.738 1.00 61.11 N ATOM 915 CA GLY A 59 2.407 8.300 -10.917 1.00 60.42 C ATOM 916 C GLY A 59 1.039 7.947 -11.468 1.00 45.42 C ATOM 917 O GLY A 59 0.563 6.826 -11.294 1.00 73.31 O ATOM 0 H GLY A 59 3.400 8.931 -12.651 1.00 61.11 H new ATOM 0 HA2 GLY A 59 3.010 7.395 -10.843 1.00 60.42 H new ATOM 0 HA3 GLY A 59 2.298 8.693 -9.906 1.00 60.42 H new ATOM 921 N ASP A 60 0.406 8.907 -12.133 1.00 2.40 N ATOM 922 CA ASP A 60 -0.916 8.693 -12.711 1.00 5.42 C ATOM 923 C ASP A 60 -0.896 7.528 -13.695 1.00 32.34 C ATOM 924 O ASP A 60 0.169 7.036 -14.070 1.00 14.51 O ATOM 925 CB ASP A 60 -1.400 9.962 -13.414 1.00 2.41 C ATOM 926 CG ASP A 60 -1.973 10.978 -12.445 1.00 52.04 C ATOM 927 OD1 ASP A 60 -1.403 11.137 -11.346 1.00 64.12 O ATOM 928 OD2 ASP A 60 -2.993 11.613 -12.786 1.00 51.42 O ATOM 0 H ASP A 60 0.787 9.841 -12.285 1.00 2.40 H new ATOM 0 HA ASP A 60 -1.605 8.450 -11.902 1.00 5.42 H new ATOM 0 HB2 ASP A 60 -0.570 10.412 -13.958 1.00 2.41 H new ATOM 0 HB3 ASP A 60 -2.159 9.699 -14.151 1.00 2.41 H new ATOM 933 N TYR A 61 -2.080 7.089 -14.108 1.00 11.25 N ATOM 934 CA TYR A 61 -2.199 5.979 -15.045 1.00 35.21 C ATOM 935 C TYR A 61 -3.099 6.351 -16.219 1.00 53.52 C ATOM 936 O TYR A 61 -4.052 7.117 -16.068 1.00 54.11 O ATOM 937 CB TYR A 61 -2.754 4.742 -14.335 1.00 40.34 C ATOM 938 CG TYR A 61 -1.906 4.281 -13.172 1.00 31.23 C ATOM 939 CD1 TYR A 61 -2.111 4.786 -11.894 1.00 5.21 C ATOM 940 CD2 TYR A 61 -0.901 3.338 -13.350 1.00 42.22 C ATOM 941 CE1 TYR A 61 -1.338 4.368 -10.828 1.00 64.21 C ATOM 942 CE2 TYR A 61 -0.124 2.913 -12.290 1.00 30.20 C ATOM 943 CZ TYR A 61 -0.346 3.431 -11.031 1.00 61.11 C ATOM 944 OH TYR A 61 0.425 3.011 -9.972 1.00 22.53 O ATOM 0 H TYR A 61 -2.971 7.485 -13.808 1.00 11.25 H new ATOM 0 HA TYR A 61 -1.204 5.754 -15.430 1.00 35.21 H new ATOM 0 HB2 TYR A 61 -3.760 4.960 -13.977 1.00 40.34 H new ATOM 0 HB3 TYR A 61 -2.841 3.929 -15.055 1.00 40.34 H new ATOM 0 HD1 TYR A 61 -2.888 5.518 -11.731 1.00 5.21 H new ATOM 0 HD2 TYR A 61 -0.724 2.930 -14.334 1.00 42.22 H new ATOM 0 HE1 TYR A 61 -1.509 4.772 -9.841 1.00 64.21 H new ATOM 0 HE2 TYR A 61 0.653 2.179 -12.446 1.00 30.20 H new ATOM 0 HH TYR A 61 1.076 2.349 -10.284 1.00 22.53 H new ATOM 954 N LEU A 62 -2.790 5.804 -17.390 1.00 13.35 N ATOM 955 CA LEU A 62 -3.570 6.077 -18.592 1.00 14.34 C ATOM 956 C LEU A 62 -3.477 4.916 -19.577 1.00 12.43 C ATOM 957 O LEU A 62 -2.494 4.177 -19.589 1.00 42.24 O ATOM 958 CB LEU A 62 -3.084 7.366 -19.257 1.00 54.11 C ATOM 959 CG LEU A 62 -1.572 7.595 -19.253 1.00 75.41 C ATOM 960 CD1 LEU A 62 -1.150 8.392 -20.477 1.00 0.40 C ATOM 961 CD2 LEU A 62 -1.144 8.305 -17.977 1.00 63.53 C ATOM 0 H LEU A 62 -2.005 5.169 -17.532 1.00 13.35 H new ATOM 0 HA LEU A 62 -4.613 6.198 -18.299 1.00 14.34 H new ATOM 0 HB2 LEU A 62 -3.429 7.370 -20.291 1.00 54.11 H new ATOM 0 HB3 LEU A 62 -3.560 8.210 -18.759 1.00 54.11 H new ATOM 0 HG LEU A 62 -1.076 6.625 -19.289 1.00 75.41 H new ATOM 0 HD11 LEU A 62 -0.071 8.545 -20.457 1.00 0.40 H new ATOM 0 HD12 LEU A 62 -1.422 7.844 -21.379 1.00 0.40 H new ATOM 0 HD13 LEU A 62 -1.654 9.359 -20.473 1.00 0.40 H new ATOM 0 HD21 LEU A 62 -0.065 8.460 -17.991 1.00 63.53 H new ATOM 0 HD22 LEU A 62 -1.648 9.269 -17.911 1.00 63.53 H new ATOM 0 HD23 LEU A 62 -1.412 7.695 -17.114 1.00 63.53 H new ATOM 973 N GLY A 63 -4.508 4.764 -20.403 1.00 23.30 N ATOM 974 CA GLY A 63 -4.521 3.692 -21.382 1.00 12.33 C ATOM 975 C GLY A 63 -4.861 2.349 -20.767 1.00 14.34 C ATOM 976 O GLY A 63 -4.739 2.165 -19.556 1.00 21.14 O ATOM 0 H GLY A 63 -5.333 5.363 -20.412 1.00 23.30 H new ATOM 0 HA2 GLY A 63 -5.246 3.925 -22.162 1.00 12.33 H new ATOM 0 HA3 GLY A 63 -3.545 3.631 -21.863 1.00 12.33 H new ATOM 980 N ARG A 64 -5.291 1.409 -21.602 1.00 52.41 N ATOM 981 CA ARG A 64 -5.653 0.077 -21.133 1.00 11.42 C ATOM 982 C ARG A 64 -4.410 -0.719 -20.745 1.00 54.30 C ATOM 983 O ARG A 64 -4.509 -1.798 -20.163 1.00 14.22 O ATOM 984 CB ARG A 64 -6.436 -0.672 -22.213 1.00 25.02 C ATOM 985 CG ARG A 64 -7.939 -0.461 -22.133 1.00 44.44 C ATOM 986 CD ARG A 64 -8.668 -1.233 -23.221 1.00 71.13 C ATOM 987 NE ARG A 64 -8.206 -2.616 -23.314 1.00 54.53 N ATOM 988 CZ ARG A 64 -8.416 -3.391 -24.372 1.00 54.23 C ATOM 989 NH1 ARG A 64 -9.077 -2.921 -25.422 1.00 23.32 N ATOM 990 NH2 ARG A 64 -7.965 -4.639 -24.382 1.00 41.51 N ATOM 0 H ARG A 64 -5.397 1.545 -22.607 1.00 52.41 H new ATOM 0 HA ARG A 64 -6.282 0.188 -20.250 1.00 11.42 H new ATOM 0 HB2 ARG A 64 -6.084 -0.351 -23.193 1.00 25.02 H new ATOM 0 HB3 ARG A 64 -6.222 -1.738 -22.131 1.00 25.02 H new ATOM 0 HG2 ARG A 64 -8.301 -0.779 -21.155 1.00 44.44 H new ATOM 0 HG3 ARG A 64 -8.164 0.601 -22.226 1.00 44.44 H new ATOM 0 HD2 ARG A 64 -9.739 -1.221 -23.018 1.00 71.13 H new ATOM 0 HD3 ARG A 64 -8.520 -0.736 -24.180 1.00 71.13 H new ATOM 0 HE ARG A 64 -7.694 -3.008 -22.523 1.00 54.53 H new ATOM 0 HH11 ARG A 64 -9.425 -1.962 -25.418 1.00 23.32 H new ATOM 0 HH12 ARG A 64 -9.237 -3.518 -26.233 1.00 23.32 H new ATOM 0 HH21 ARG A 64 -7.457 -5.004 -23.577 1.00 41.51 H new ATOM 0 HH22 ARG A 64 -8.127 -5.233 -25.195 1.00 41.51 H new ATOM 1004 N ASN A 65 -3.241 -0.178 -21.073 1.00 14.10 N ATOM 1005 CA ASN A 65 -1.979 -0.838 -20.760 1.00 73.21 C ATOM 1006 C ASN A 65 -1.427 -0.351 -19.424 1.00 42.42 C ATOM 1007 O ASN A 65 -0.239 -0.506 -19.138 1.00 15.11 O ATOM 1008 CB ASN A 65 -0.958 -0.584 -21.871 1.00 22.15 C ATOM 1009 CG ASN A 65 -1.429 -1.097 -23.218 1.00 2.22 C ATOM 1010 OD1 ASN A 65 -1.336 -0.398 -24.227 1.00 64.43 O ATOM 1011 ND2 ASN A 65 -1.938 -2.323 -23.239 1.00 15.12 N ATOM 0 H ASN A 65 -3.142 0.715 -21.555 1.00 14.10 H new ATOM 0 HA ASN A 65 -2.166 -1.909 -20.686 1.00 73.21 H new ATOM 0 HB2 ASN A 65 -0.761 0.486 -21.942 1.00 22.15 H new ATOM 0 HB3 ASN A 65 -0.015 -1.066 -21.611 1.00 22.15 H new ATOM 0 HD21 ASN A 65 -2.272 -2.722 -24.117 1.00 15.12 H new ATOM 0 HD22 ASN A 65 -1.995 -2.866 -22.378 1.00 15.12 H new ATOM 1018 N ASP A 66 -2.296 0.239 -18.611 1.00 21.34 N ATOM 1019 CA ASP A 66 -1.896 0.748 -17.304 1.00 31.21 C ATOM 1020 C ASP A 66 -0.675 1.655 -17.424 1.00 74.22 C ATOM 1021 O ASP A 66 0.242 1.589 -16.607 1.00 41.44 O ATOM 1022 CB ASP A 66 -1.594 -0.411 -16.352 1.00 14.30 C ATOM 1023 CG ASP A 66 -1.639 0.010 -14.896 1.00 73.50 C ATOM 1024 OD1 ASP A 66 -2.742 0.003 -14.311 1.00 32.33 O ATOM 1025 OD2 ASP A 66 -0.572 0.346 -14.342 1.00 44.21 O ATOM 0 H ASP A 66 -3.282 0.377 -18.834 1.00 21.34 H new ATOM 0 HA ASP A 66 -2.723 1.333 -16.901 1.00 31.21 H new ATOM 0 HB2 ASP A 66 -2.315 -1.211 -16.518 1.00 14.30 H new ATOM 0 HB3 ASP A 66 -0.608 -0.817 -16.580 1.00 14.30 H new ATOM 1030 N GLY A 67 -0.672 2.501 -18.450 1.00 65.42 N ATOM 1031 CA GLY A 67 0.442 3.408 -18.660 1.00 32.34 C ATOM 1032 C GLY A 67 0.688 4.308 -17.465 1.00 44.14 C ATOM 1033 O GLY A 67 0.008 5.319 -17.290 1.00 4.45 O ATOM 0 H GLY A 67 -1.420 2.575 -19.139 1.00 65.42 H new ATOM 0 HA2 GLY A 67 1.343 2.831 -18.868 1.00 32.34 H new ATOM 0 HA3 GLY A 67 0.247 4.022 -19.539 1.00 32.34 H new ATOM 1037 N LYS A 68 1.663 3.941 -16.641 1.00 20.55 N ATOM 1038 CA LYS A 68 1.999 4.721 -15.456 1.00 15.42 C ATOM 1039 C LYS A 68 3.056 5.772 -15.778 1.00 42.12 C ATOM 1040 O LYS A 68 4.146 5.446 -16.249 1.00 2.34 O ATOM 1041 CB LYS A 68 2.501 3.803 -14.340 1.00 33.34 C ATOM 1042 CG LYS A 68 2.869 4.541 -13.064 1.00 65.42 C ATOM 1043 CD LYS A 68 3.772 3.701 -12.175 1.00 52.14 C ATOM 1044 CE LYS A 68 5.165 3.560 -12.770 1.00 13.02 C ATOM 1045 NZ LYS A 68 6.086 2.828 -11.857 1.00 33.10 N ATOM 0 H LYS A 68 2.235 3.107 -16.772 1.00 20.55 H new ATOM 0 HA LYS A 68 1.096 5.230 -15.120 1.00 15.42 H new ATOM 0 HB2 LYS A 68 1.731 3.065 -14.114 1.00 33.34 H new ATOM 0 HB3 LYS A 68 3.373 3.255 -14.697 1.00 33.34 H new ATOM 0 HG2 LYS A 68 3.371 5.475 -13.315 1.00 65.42 H new ATOM 0 HG3 LYS A 68 1.962 4.803 -12.519 1.00 65.42 H new ATOM 0 HD2 LYS A 68 3.841 4.159 -11.188 1.00 52.14 H new ATOM 0 HD3 LYS A 68 3.332 2.713 -12.038 1.00 52.14 H new ATOM 0 HE2 LYS A 68 5.102 3.032 -13.722 1.00 13.02 H new ATOM 0 HE3 LYS A 68 5.572 4.549 -12.980 1.00 13.02 H new ATOM 0 HZ1 LYS A 68 7.025 2.753 -12.298 1.00 33.10 H new ATOM 0 HZ2 LYS A 68 6.166 3.344 -10.958 1.00 33.10 H new ATOM 0 HZ3 LYS A 68 5.711 1.875 -11.676 1.00 33.10 H new ATOM 1059 N VAL A 69 2.728 7.034 -15.521 1.00 11.32 N ATOM 1060 CA VAL A 69 3.651 8.133 -15.781 1.00 73.42 C ATOM 1061 C VAL A 69 4.883 8.038 -14.889 1.00 11.44 C ATOM 1062 O VAL A 69 4.772 7.944 -13.666 1.00 73.32 O ATOM 1063 CB VAL A 69 2.974 9.499 -15.561 1.00 31.51 C ATOM 1064 CG1 VAL A 69 3.958 10.630 -15.818 1.00 32.24 C ATOM 1065 CG2 VAL A 69 1.748 9.635 -16.451 1.00 71.11 C ATOM 0 H VAL A 69 1.830 7.321 -15.133 1.00 11.32 H new ATOM 0 HA VAL A 69 3.955 8.051 -16.825 1.00 73.42 H new ATOM 0 HB VAL A 69 2.649 9.561 -14.522 1.00 31.51 H new ATOM 0 HG11 VAL A 69 3.462 11.587 -15.658 1.00 32.24 H new ATOM 0 HG12 VAL A 69 4.802 10.540 -15.135 1.00 32.24 H new ATOM 0 HG13 VAL A 69 4.316 10.574 -16.846 1.00 32.24 H new ATOM 0 HG21 VAL A 69 1.282 10.606 -16.283 1.00 71.11 H new ATOM 0 HG22 VAL A 69 2.046 9.552 -17.496 1.00 71.11 H new ATOM 0 HG23 VAL A 69 1.036 8.845 -16.213 1.00 71.11 H new ATOM 1075 N VAL A 70 6.059 8.066 -15.508 1.00 31.33 N ATOM 1076 CA VAL A 70 7.314 7.985 -14.769 1.00 54.04 C ATOM 1077 C VAL A 70 8.187 9.206 -15.034 1.00 54.45 C ATOM 1078 O VAL A 70 8.962 9.627 -14.176 1.00 72.54 O ATOM 1079 CB VAL A 70 8.102 6.714 -15.139 1.00 53.41 C ATOM 1080 CG1 VAL A 70 7.230 5.479 -14.975 1.00 61.41 C ATOM 1081 CG2 VAL A 70 8.637 6.814 -16.559 1.00 43.54 C ATOM 0 H VAL A 70 6.169 8.144 -16.519 1.00 31.33 H new ATOM 0 HA VAL A 70 7.057 7.949 -13.710 1.00 54.04 H new ATOM 0 HB VAL A 70 8.951 6.623 -14.461 1.00 53.41 H new ATOM 0 HG11 VAL A 70 7.803 4.591 -15.241 1.00 61.41 H new ATOM 0 HG12 VAL A 70 6.900 5.401 -13.939 1.00 61.41 H new ATOM 0 HG13 VAL A 70 6.360 5.558 -15.628 1.00 61.41 H new ATOM 0 HG21 VAL A 70 9.191 5.908 -16.804 1.00 43.54 H new ATOM 0 HG22 VAL A 70 7.805 6.930 -17.254 1.00 43.54 H new ATOM 0 HG23 VAL A 70 9.299 7.676 -16.639 1.00 43.54 H new ATOM 1091 N GLY A 71 8.055 9.773 -16.230 1.00 13.40 N ATOM 1092 CA GLY A 71 8.838 10.942 -16.587 1.00 55.02 C ATOM 1093 C GLY A 71 8.045 11.944 -17.403 1.00 73.31 C ATOM 1094 O GLY A 71 7.218 11.563 -18.232 1.00 74.11 O ATOM 0 H GLY A 71 7.420 9.444 -16.957 1.00 13.40 H new ATOM 0 HA2 GLY A 71 9.201 11.424 -15.679 1.00 55.02 H new ATOM 0 HA3 GLY A 71 9.715 10.629 -17.154 1.00 55.02 H new ATOM 1098 N ILE A 72 8.296 13.227 -17.167 1.00 55.15 N ATOM 1099 CA ILE A 72 7.598 14.286 -17.887 1.00 22.23 C ATOM 1100 C ILE A 72 8.576 15.335 -18.405 1.00 62.53 C ATOM 1101 O ILE A 72 9.135 16.113 -17.633 1.00 11.14 O ATOM 1102 CB ILE A 72 6.549 14.975 -16.995 1.00 54.31 C ATOM 1103 CG1 ILE A 72 5.501 13.963 -16.527 1.00 40.20 C ATOM 1104 CG2 ILE A 72 5.887 16.122 -17.745 1.00 63.23 C ATOM 1105 CD1 ILE A 72 4.529 14.524 -15.513 1.00 5.54 C ATOM 0 H ILE A 72 8.977 13.559 -16.484 1.00 55.15 H new ATOM 0 HA ILE A 72 7.093 13.815 -18.731 1.00 22.23 H new ATOM 0 HB ILE A 72 7.051 15.382 -16.117 1.00 54.31 H new ATOM 0 HG12 ILE A 72 4.944 13.603 -17.392 1.00 40.20 H new ATOM 0 HG13 ILE A 72 6.008 13.101 -16.094 1.00 40.20 H new ATOM 0 HG21 ILE A 72 5.148 16.599 -17.101 1.00 63.23 H new ATOM 0 HG22 ILE A 72 6.643 16.853 -18.033 1.00 63.23 H new ATOM 0 HG23 ILE A 72 5.395 15.737 -18.638 1.00 63.23 H new ATOM 0 HD11 ILE A 72 3.815 13.751 -15.227 1.00 5.54 H new ATOM 0 HD12 ILE A 72 5.076 14.858 -14.631 1.00 5.54 H new ATOM 0 HD13 ILE A 72 3.994 15.368 -15.949 1.00 5.54 H new ATOM 1117 N SER A 73 8.777 15.350 -19.719 1.00 41.01 N ATOM 1118 CA SER A 73 9.689 16.302 -20.342 1.00 4.23 C ATOM 1119 C SER A 73 8.926 17.497 -20.905 1.00 61.14 C ATOM 1120 O SER A 73 7.735 17.664 -20.645 1.00 42.31 O ATOM 1121 CB SER A 73 10.489 15.622 -21.455 1.00 34.11 C ATOM 1122 OG SER A 73 10.849 14.301 -21.090 1.00 1.03 O ATOM 0 H SER A 73 8.321 14.714 -20.373 1.00 41.01 H new ATOM 0 HA SER A 73 10.378 16.661 -19.577 1.00 4.23 H new ATOM 0 HB2 SER A 73 9.899 15.601 -22.371 1.00 34.11 H new ATOM 0 HB3 SER A 73 11.387 16.202 -21.668 1.00 34.11 H new ATOM 0 HG SER A 73 11.535 13.967 -21.705 1.00 1.03 H new ATOM 1128 N GLU A 74 9.622 18.324 -21.679 1.00 10.30 N ATOM 1129 CA GLU A 74 9.010 19.504 -22.279 1.00 2.21 C ATOM 1130 C GLU A 74 8.494 19.196 -23.682 1.00 24.13 C ATOM 1131 O GLU A 74 7.677 19.933 -24.230 1.00 54.31 O ATOM 1132 CB GLU A 74 10.017 20.655 -22.335 1.00 51.13 C ATOM 1133 CG GLU A 74 11.220 20.369 -23.218 1.00 72.13 C ATOM 1134 CD GLU A 74 12.320 21.401 -23.058 1.00 75.45 C ATOM 1135 OE1 GLU A 74 12.213 22.481 -23.676 1.00 71.12 O ATOM 1136 OE2 GLU A 74 13.286 21.128 -22.317 1.00 1.25 O ATOM 0 H GLU A 74 10.609 18.199 -21.905 1.00 10.30 H new ATOM 0 HA GLU A 74 8.165 19.800 -21.657 1.00 2.21 H new ATOM 0 HB2 GLU A 74 9.513 21.550 -22.700 1.00 51.13 H new ATOM 0 HB3 GLU A 74 10.362 20.874 -21.325 1.00 51.13 H new ATOM 0 HG2 GLU A 74 11.615 19.382 -22.978 1.00 72.13 H new ATOM 0 HG3 GLU A 74 10.902 20.341 -24.260 1.00 72.13 H new ATOM 1143 N GLY A 75 8.980 18.100 -24.257 1.00 21.10 N ATOM 1144 CA GLY A 75 8.558 17.713 -25.591 1.00 22.05 C ATOM 1145 C GLY A 75 8.253 16.232 -25.695 1.00 61.13 C ATOM 1146 O GLY A 75 8.089 15.700 -26.793 1.00 71.14 O ATOM 0 H GLY A 75 9.658 17.473 -23.823 1.00 21.10 H new ATOM 0 HA2 GLY A 75 7.672 18.284 -25.868 1.00 22.05 H new ATOM 0 HA3 GLY A 75 9.340 17.971 -26.305 1.00 22.05 H new ATOM 1150 N LYS A 76 8.178 15.562 -24.550 1.00 3.50 N ATOM 1151 CA LYS A 76 7.891 14.133 -24.516 1.00 4.31 C ATOM 1152 C LYS A 76 7.551 13.680 -23.100 1.00 14.42 C ATOM 1153 O LYS A 76 8.009 14.272 -22.122 1.00 25.41 O ATOM 1154 CB LYS A 76 9.089 13.339 -25.042 1.00 50.14 C ATOM 1155 CG LYS A 76 10.350 13.519 -24.214 1.00 75.13 C ATOM 1156 CD LYS A 76 11.208 14.654 -24.745 1.00 45.24 C ATOM 1157 CE LYS A 76 12.175 14.169 -25.814 1.00 63.45 C ATOM 1158 NZ LYS A 76 13.162 15.219 -26.189 1.00 12.41 N ATOM 0 H LYS A 76 8.312 15.987 -23.632 1.00 3.50 H new ATOM 0 HA LYS A 76 7.029 13.946 -25.156 1.00 4.31 H new ATOM 0 HB2 LYS A 76 8.830 12.281 -25.068 1.00 50.14 H new ATOM 0 HB3 LYS A 76 9.293 13.642 -26.069 1.00 50.14 H new ATOM 0 HG2 LYS A 76 10.080 13.720 -23.177 1.00 75.13 H new ATOM 0 HG3 LYS A 76 10.925 12.593 -24.220 1.00 75.13 H new ATOM 0 HD2 LYS A 76 10.567 15.433 -25.159 1.00 45.24 H new ATOM 0 HD3 LYS A 76 11.767 15.104 -23.924 1.00 45.24 H new ATOM 0 HE2 LYS A 76 12.703 13.287 -25.452 1.00 63.45 H new ATOM 0 HE3 LYS A 76 11.615 13.865 -26.698 1.00 63.45 H new ATOM 0 HZ1 LYS A 76 13.802 14.848 -26.920 1.00 12.41 H new ATOM 0 HZ2 LYS A 76 12.660 16.051 -26.558 1.00 12.41 H new ATOM 0 HZ3 LYS A 76 13.714 15.492 -25.351 1.00 12.41 H new ATOM 1172 N ILE A 77 6.745 12.629 -22.998 1.00 21.43 N ATOM 1173 CA ILE A 77 6.346 12.096 -21.701 1.00 31.10 C ATOM 1174 C ILE A 77 6.675 10.611 -21.592 1.00 21.12 C ATOM 1175 O ILE A 77 6.172 9.795 -22.364 1.00 34.43 O ATOM 1176 CB ILE A 77 4.840 12.296 -21.450 1.00 13.15 C ATOM 1177 CG1 ILE A 77 4.489 13.785 -21.482 1.00 34.03 C ATOM 1178 CG2 ILE A 77 4.439 11.680 -20.117 1.00 54.44 C ATOM 1179 CD1 ILE A 77 3.076 14.063 -21.946 1.00 30.21 C ATOM 0 H ILE A 77 6.355 12.130 -23.797 1.00 21.43 H new ATOM 0 HA ILE A 77 6.908 12.647 -20.947 1.00 31.10 H new ATOM 0 HB ILE A 77 4.284 11.794 -22.242 1.00 13.15 H new ATOM 0 HG12 ILE A 77 4.624 14.203 -20.485 1.00 34.03 H new ATOM 0 HG13 ILE A 77 5.187 14.301 -22.141 1.00 34.03 H new ATOM 0 HG21 ILE A 77 3.372 11.829 -19.954 1.00 54.44 H new ATOM 0 HG22 ILE A 77 4.658 10.612 -20.129 1.00 54.44 H new ATOM 0 HG23 ILE A 77 4.999 12.157 -19.313 1.00 54.44 H new ATOM 0 HD11 ILE A 77 2.897 15.138 -21.944 1.00 30.21 H new ATOM 0 HD12 ILE A 77 2.942 13.675 -22.956 1.00 30.21 H new ATOM 0 HD13 ILE A 77 2.370 13.576 -21.273 1.00 30.21 H new ATOM 1191 N ASP A 78 7.522 10.268 -20.627 1.00 74.33 N ATOM 1192 CA ASP A 78 7.916 8.880 -20.414 1.00 42.14 C ATOM 1193 C ASP A 78 6.947 8.179 -19.468 1.00 21.42 C ATOM 1194 O ASP A 78 6.714 8.637 -18.349 1.00 63.22 O ATOM 1195 CB ASP A 78 9.337 8.812 -19.852 1.00 10.10 C ATOM 1196 CG ASP A 78 10.330 9.592 -20.691 1.00 72.04 C ATOM 1197 OD1 ASP A 78 10.021 9.870 -21.869 1.00 22.11 O ATOM 1198 OD2 ASP A 78 11.416 9.924 -20.171 1.00 32.30 O ATOM 0 H ASP A 78 7.949 10.932 -19.980 1.00 74.33 H new ATOM 0 HA ASP A 78 7.889 8.368 -21.376 1.00 42.14 H new ATOM 0 HB2 ASP A 78 9.341 9.202 -18.834 1.00 10.10 H new ATOM 0 HB3 ASP A 78 9.653 7.770 -19.796 1.00 10.10 H new ATOM 1203 N VAL A 79 6.384 7.065 -19.925 1.00 33.44 N ATOM 1204 CA VAL A 79 5.440 6.300 -19.119 1.00 35.41 C ATOM 1205 C VAL A 79 5.648 4.801 -19.304 1.00 32.32 C ATOM 1206 O VAL A 79 6.056 4.348 -20.374 1.00 34.23 O ATOM 1207 CB VAL A 79 3.983 6.652 -19.475 1.00 41.21 C ATOM 1208 CG1 VAL A 79 3.765 8.156 -19.405 1.00 62.11 C ATOM 1209 CG2 VAL A 79 3.628 6.117 -20.854 1.00 51.32 C ATOM 0 H VAL A 79 6.565 6.672 -20.849 1.00 33.44 H new ATOM 0 HA VAL A 79 5.626 6.565 -18.078 1.00 35.41 H new ATOM 0 HB VAL A 79 3.324 6.179 -18.746 1.00 41.21 H new ATOM 0 HG11 VAL A 79 2.730 8.386 -19.660 1.00 62.11 H new ATOM 0 HG12 VAL A 79 3.977 8.508 -18.395 1.00 62.11 H new ATOM 0 HG13 VAL A 79 4.431 8.653 -20.110 1.00 62.11 H new ATOM 0 HG21 VAL A 79 2.595 6.375 -21.089 1.00 51.32 H new ATOM 0 HG22 VAL A 79 4.291 6.559 -21.598 1.00 51.32 H new ATOM 0 HG23 VAL A 79 3.743 5.033 -20.864 1.00 51.32 H new ATOM 1219 N ILE A 80 5.365 4.036 -18.255 1.00 34.12 N ATOM 1220 CA ILE A 80 5.519 2.587 -18.302 1.00 44.32 C ATOM 1221 C ILE A 80 4.202 1.905 -18.654 1.00 72.10 C ATOM 1222 O ILE A 80 3.227 1.996 -17.909 1.00 74.02 O ATOM 1223 CB ILE A 80 6.030 2.031 -16.960 1.00 11.43 C ATOM 1224 CG1 ILE A 80 7.553 2.152 -16.879 1.00 0.52 C ATOM 1225 CG2 ILE A 80 5.598 0.583 -16.788 1.00 24.32 C ATOM 1226 CD1 ILE A 80 8.285 1.194 -17.792 1.00 33.53 C ATOM 0 H ILE A 80 5.028 4.396 -17.362 1.00 34.12 H new ATOM 0 HA ILE A 80 6.254 2.373 -19.078 1.00 44.32 H new ATOM 0 HB ILE A 80 5.595 2.618 -16.151 1.00 11.43 H new ATOM 0 HG12 ILE A 80 7.842 3.173 -17.130 1.00 0.52 H new ATOM 0 HG13 ILE A 80 7.869 1.975 -15.851 1.00 0.52 H new ATOM 0 HG21 ILE A 80 5.967 0.204 -15.835 1.00 24.32 H new ATOM 0 HG22 ILE A 80 4.510 0.523 -16.806 1.00 24.32 H new ATOM 0 HG23 ILE A 80 6.007 -0.018 -17.600 1.00 24.32 H new ATOM 0 HD11 ILE A 80 9.360 1.336 -17.682 1.00 33.53 H new ATOM 0 HD12 ILE A 80 8.025 0.169 -17.527 1.00 33.53 H new ATOM 0 HD13 ILE A 80 7.998 1.386 -18.826 1.00 33.53 H new ATOM 1238 N GLU A 81 4.182 1.220 -19.793 1.00 41.03 N ATOM 1239 CA GLU A 81 2.984 0.521 -20.243 1.00 11.11 C ATOM 1240 C GLU A 81 3.157 -0.990 -20.120 1.00 63.12 C ATOM 1241 O GLU A 81 4.280 -1.495 -20.077 1.00 34.04 O ATOM 1242 CB GLU A 81 2.663 0.893 -21.692 1.00 64.42 C ATOM 1243 CG GLU A 81 2.185 2.325 -21.862 1.00 25.02 C ATOM 1244 CD GLU A 81 2.470 2.875 -23.246 1.00 61.20 C ATOM 1245 OE1 GLU A 81 2.432 2.088 -24.215 1.00 44.24 O ATOM 1246 OE2 GLU A 81 2.731 4.091 -23.360 1.00 75.41 O ATOM 0 H GLU A 81 4.981 1.134 -20.421 1.00 41.03 H new ATOM 0 HA GLU A 81 2.155 0.827 -19.605 1.00 11.11 H new ATOM 0 HB2 GLU A 81 3.553 0.741 -22.303 1.00 64.42 H new ATOM 0 HB3 GLU A 81 1.897 0.216 -22.071 1.00 64.42 H new ATOM 0 HG2 GLU A 81 1.113 2.371 -21.670 1.00 25.02 H new ATOM 0 HG3 GLU A 81 2.669 2.957 -21.117 1.00 25.02 H new ATOM 1253 N ILE A 82 2.039 -1.705 -20.064 1.00 71.34 N ATOM 1254 CA ILE A 82 2.067 -3.158 -19.947 1.00 52.13 C ATOM 1255 C ILE A 82 1.812 -3.823 -21.296 1.00 23.24 C ATOM 1256 O ILE A 82 0.833 -3.517 -21.976 1.00 31.50 O ATOM 1257 CB ILE A 82 1.022 -3.661 -18.934 1.00 31.11 C ATOM 1258 CG1 ILE A 82 1.180 -2.930 -17.599 1.00 41.44 C ATOM 1259 CG2 ILE A 82 1.154 -5.164 -18.739 1.00 71.21 C ATOM 1260 CD1 ILE A 82 2.557 -3.075 -16.990 1.00 71.20 C ATOM 0 H ILE A 82 1.102 -1.302 -20.098 1.00 71.34 H new ATOM 0 HA ILE A 82 3.062 -3.427 -19.594 1.00 52.13 H new ATOM 0 HB ILE A 82 0.027 -3.451 -19.327 1.00 31.11 H new ATOM 0 HG12 ILE A 82 0.966 -1.871 -17.746 1.00 41.44 H new ATOM 0 HG13 ILE A 82 0.439 -3.310 -16.896 1.00 41.44 H new ATOM 0 HG21 ILE A 82 0.409 -5.504 -18.020 1.00 71.21 H new ATOM 0 HG22 ILE A 82 0.997 -5.670 -19.692 1.00 71.21 H new ATOM 0 HG23 ILE A 82 2.151 -5.396 -18.365 1.00 71.21 H new ATOM 0 HD11 ILE A 82 2.596 -2.532 -16.046 1.00 71.20 H new ATOM 0 HD12 ILE A 82 2.766 -4.130 -16.811 1.00 71.20 H new ATOM 0 HD13 ILE A 82 3.302 -2.669 -17.674 1.00 71.20 H new ATOM 1272 N VAL A 83 2.700 -4.736 -21.676 1.00 22.42 N ATOM 1273 CA VAL A 83 2.571 -5.448 -22.942 1.00 32.13 C ATOM 1274 C VAL A 83 2.673 -6.955 -22.738 1.00 33.54 C ATOM 1275 O VAL A 83 3.559 -7.455 -22.044 1.00 11.41 O ATOM 1276 CB VAL A 83 3.648 -5.003 -23.948 1.00 64.43 C ATOM 1277 CG1 VAL A 83 5.040 -5.233 -23.378 1.00 14.44 C ATOM 1278 CG2 VAL A 83 3.478 -5.737 -25.270 1.00 33.32 C ATOM 0 H VAL A 83 3.517 -5.000 -21.125 1.00 22.42 H new ATOM 0 HA VAL A 83 1.587 -5.205 -23.343 1.00 32.13 H new ATOM 0 HB VAL A 83 3.528 -3.935 -24.132 1.00 64.43 H new ATOM 0 HG11 VAL A 83 5.788 -4.912 -24.103 1.00 14.44 H new ATOM 0 HG12 VAL A 83 5.156 -4.659 -22.459 1.00 14.44 H new ATOM 0 HG13 VAL A 83 5.174 -6.293 -23.163 1.00 14.44 H new ATOM 0 HG21 VAL A 83 4.248 -5.410 -25.969 1.00 33.32 H new ATOM 0 HG22 VAL A 83 3.570 -6.810 -25.105 1.00 33.32 H new ATOM 0 HG23 VAL A 83 2.494 -5.517 -25.684 1.00 33.32 H new ATOM 1288 N PRO A 84 1.744 -7.700 -23.356 1.00 64.32 N ATOM 1289 CA PRO A 84 1.709 -9.163 -23.258 1.00 52.45 C ATOM 1290 C PRO A 84 2.870 -9.821 -23.996 1.00 33.32 C ATOM 1291 O PRO A 84 3.353 -9.302 -25.002 1.00 72.21 O ATOM 1292 CB PRO A 84 0.378 -9.530 -23.920 1.00 0.13 C ATOM 1293 CG PRO A 84 0.095 -8.404 -24.853 1.00 42.20 C ATOM 1294 CD PRO A 84 0.658 -7.172 -24.199 1.00 64.51 C ATOM 0 HA PRO A 84 1.797 -9.505 -22.227 1.00 52.45 H new ATOM 0 HB2 PRO A 84 0.450 -10.478 -24.454 1.00 0.13 H new ATOM 0 HB3 PRO A 84 -0.415 -9.640 -23.180 1.00 0.13 H new ATOM 0 HG2 PRO A 84 0.558 -8.576 -25.824 1.00 42.20 H new ATOM 0 HG3 PRO A 84 -0.976 -8.300 -25.025 1.00 42.20 H new ATOM 0 HD2 PRO A 84 1.031 -6.461 -24.936 1.00 64.51 H new ATOM 0 HD3 PRO A 84 -0.095 -6.652 -23.606 1.00 64.51 H new ATOM 1302 N ASP A 85 3.312 -10.967 -23.489 1.00 44.31 N ATOM 1303 CA ASP A 85 4.416 -11.697 -24.101 1.00 21.50 C ATOM 1304 C ASP A 85 3.910 -12.625 -25.201 1.00 20.40 C ATOM 1305 O ASP A 85 4.622 -12.910 -26.163 1.00 31.50 O ATOM 1306 CB ASP A 85 5.170 -12.504 -23.043 1.00 24.31 C ATOM 1307 CG ASP A 85 6.225 -13.410 -23.648 1.00 74.13 C ATOM 1308 OD1 ASP A 85 7.342 -12.922 -23.917 1.00 70.13 O ATOM 1309 OD2 ASP A 85 5.932 -14.607 -23.854 1.00 0.10 O ATOM 0 H ASP A 85 2.923 -11.410 -22.657 1.00 44.31 H new ATOM 0 HA ASP A 85 5.096 -10.971 -24.547 1.00 21.50 H new ATOM 0 HB2 ASP A 85 5.643 -11.820 -22.338 1.00 24.31 H new ATOM 0 HB3 ASP A 85 4.460 -13.106 -22.476 1.00 24.31 H new ATOM 1314 N GLY A 86 2.675 -13.095 -25.051 1.00 10.32 N ATOM 1315 CA GLY A 86 2.095 -13.986 -26.038 1.00 62.50 C ATOM 1316 C GLY A 86 1.488 -15.227 -25.413 1.00 53.32 C ATOM 1317 O GLY A 86 0.447 -15.708 -25.860 1.00 63.03 O ATOM 0 H GLY A 86 2.066 -12.874 -24.263 1.00 10.32 H new ATOM 0 HA2 GLY A 86 1.327 -13.452 -26.598 1.00 62.50 H new ATOM 0 HA3 GLY A 86 2.863 -14.281 -26.752 1.00 62.50 H new ATOM 1321 N GLU A 87 2.140 -15.746 -24.378 1.00 12.15 N ATOM 1322 CA GLU A 87 1.658 -16.940 -23.693 1.00 13.53 C ATOM 1323 C GLU A 87 0.699 -16.570 -22.565 1.00 10.35 C ATOM 1324 O GLU A 87 -0.219 -17.323 -22.244 1.00 14.22 O ATOM 1325 CB GLU A 87 2.833 -17.744 -23.134 1.00 64.14 C ATOM 1326 CG GLU A 87 3.404 -17.174 -21.847 1.00 31.45 C ATOM 1327 CD GLU A 87 4.645 -17.912 -21.382 1.00 13.33 C ATOM 1328 OE1 GLU A 87 5.636 -17.942 -22.140 1.00 24.12 O ATOM 1329 OE2 GLU A 87 4.623 -18.458 -20.259 1.00 25.41 O ATOM 0 H GLU A 87 3.003 -15.359 -23.995 1.00 12.15 H new ATOM 0 HA GLU A 87 1.121 -17.551 -24.418 1.00 13.53 H new ATOM 0 HB2 GLU A 87 2.508 -18.769 -22.955 1.00 64.14 H new ATOM 0 HB3 GLU A 87 3.623 -17.787 -23.884 1.00 64.14 H new ATOM 0 HG2 GLU A 87 3.646 -16.122 -21.996 1.00 31.45 H new ATOM 0 HG3 GLU A 87 2.645 -17.219 -21.066 1.00 31.45 H new ATOM 1336 N GLY A 88 0.921 -15.403 -21.966 1.00 32.55 N ATOM 1337 CA GLY A 88 0.070 -14.954 -20.879 1.00 52.35 C ATOM 1338 C GLY A 88 0.799 -14.045 -19.909 1.00 61.55 C ATOM 1339 O GLY A 88 0.173 -13.330 -19.128 1.00 62.25 O ATOM 0 H GLY A 88 1.674 -14.761 -22.214 1.00 32.55 H new ATOM 0 HA2 GLY A 88 -0.791 -14.426 -21.290 1.00 52.35 H new ATOM 0 HA3 GLY A 88 -0.315 -15.821 -20.341 1.00 52.35 H new ATOM 1343 N ASN A 89 2.127 -14.075 -19.958 1.00 20.12 N ATOM 1344 CA ASN A 89 2.943 -13.249 -19.075 1.00 34.55 C ATOM 1345 C ASN A 89 3.133 -11.852 -19.658 1.00 34.55 C ATOM 1346 O ASN A 89 3.462 -11.699 -20.834 1.00 22.53 O ATOM 1347 CB ASN A 89 4.304 -13.907 -18.841 1.00 45.45 C ATOM 1348 CG ASN A 89 5.244 -13.723 -20.018 1.00 32.31 C ATOM 1349 OD1 ASN A 89 5.803 -12.645 -20.218 1.00 13.21 O ATOM 1350 ND2 ASN A 89 5.421 -14.779 -20.803 1.00 63.32 N ATOM 0 H ASN A 89 2.661 -14.662 -20.599 1.00 20.12 H new ATOM 0 HA ASN A 89 2.423 -13.157 -18.121 1.00 34.55 H new ATOM 0 HB2 ASN A 89 4.760 -13.485 -17.946 1.00 45.45 H new ATOM 0 HB3 ASN A 89 4.163 -14.972 -18.655 1.00 45.45 H new ATOM 0 HD21 ASN A 89 6.041 -14.716 -21.610 1.00 63.32 H new ATOM 0 HD22 ASN A 89 4.937 -15.653 -20.599 1.00 63.32 H new ATOM 1357 N TRP A 90 2.923 -10.838 -18.827 1.00 42.40 N ATOM 1358 CA TRP A 90 3.072 -9.453 -19.260 1.00 0.21 C ATOM 1359 C TRP A 90 4.463 -8.924 -18.926 1.00 34.43 C ATOM 1360 O TRP A 90 5.193 -9.526 -18.137 1.00 11.53 O ATOM 1361 CB TRP A 90 2.007 -8.574 -18.602 1.00 2.12 C ATOM 1362 CG TRP A 90 0.607 -9.044 -18.859 1.00 3.23 C ATOM 1363 CD1 TRP A 90 -0.023 -10.102 -18.269 1.00 13.34 C ATOM 1364 CD2 TRP A 90 -0.334 -8.473 -19.774 1.00 1.30 C ATOM 1365 NE1 TRP A 90 -1.300 -10.223 -18.762 1.00 50.31 N ATOM 1366 CE2 TRP A 90 -1.515 -9.235 -19.686 1.00 53.22 C ATOM 1367 CE3 TRP A 90 -0.295 -7.391 -20.657 1.00 44.34 C ATOM 1368 CZ2 TRP A 90 -2.644 -8.948 -20.450 1.00 21.44 C ATOM 1369 CZ3 TRP A 90 -1.415 -7.108 -21.415 1.00 14.14 C ATOM 1370 CH2 TRP A 90 -2.577 -7.884 -21.306 1.00 54.54 C ATOM 0 H TRP A 90 2.649 -10.948 -17.851 1.00 42.40 H new ATOM 0 HA TRP A 90 2.942 -9.421 -20.342 1.00 0.21 H new ATOM 0 HB2 TRP A 90 2.182 -8.547 -17.526 1.00 2.12 H new ATOM 0 HB3 TRP A 90 2.113 -7.553 -18.968 1.00 2.12 H new ATOM 0 HD1 TRP A 90 0.417 -10.749 -17.524 1.00 13.34 H new ATOM 0 HE1 TRP A 90 -1.978 -10.933 -18.485 1.00 50.31 H new ATOM 0 HE3 TRP A 90 0.595 -6.786 -20.746 1.00 44.34 H new ATOM 0 HZ2 TRP A 90 -3.540 -9.545 -20.369 1.00 21.44 H new ATOM 0 HZ3 TRP A 90 -1.395 -6.275 -22.103 1.00 14.14 H new ATOM 0 HH2 TRP A 90 -3.437 -7.636 -21.911 1.00 54.54 H new ATOM 1381 N LEU A 91 4.824 -7.798 -19.530 1.00 15.43 N ATOM 1382 CA LEU A 91 6.128 -7.188 -19.295 1.00 51.14 C ATOM 1383 C LEU A 91 6.038 -5.667 -19.364 1.00 42.33 C ATOM 1384 O LEU A 91 5.134 -5.117 -19.992 1.00 60.13 O ATOM 1385 CB LEU A 91 7.143 -7.697 -20.321 1.00 34.35 C ATOM 1386 CG LEU A 91 7.811 -9.034 -19.996 1.00 43.41 C ATOM 1387 CD1 LEU A 91 8.422 -9.643 -21.249 1.00 1.34 C ATOM 1388 CD2 LEU A 91 8.870 -8.852 -18.918 1.00 71.41 C ATOM 0 H LEU A 91 4.232 -7.289 -20.186 1.00 15.43 H new ATOM 0 HA LEU A 91 6.458 -7.469 -18.295 1.00 51.14 H new ATOM 0 HB2 LEU A 91 6.641 -7.789 -21.284 1.00 34.35 H new ATOM 0 HB3 LEU A 91 7.922 -6.943 -20.437 1.00 34.35 H new ATOM 0 HG LEU A 91 7.050 -9.717 -19.618 1.00 43.41 H new ATOM 0 HD11 LEU A 91 8.893 -10.594 -20.999 1.00 1.34 H new ATOM 0 HD12 LEU A 91 7.641 -9.809 -21.991 1.00 1.34 H new ATOM 0 HD13 LEU A 91 9.171 -8.963 -21.656 1.00 1.34 H new ATOM 0 HD21 LEU A 91 9.335 -9.813 -18.699 1.00 71.41 H new ATOM 0 HD22 LEU A 91 9.629 -8.153 -19.268 1.00 71.41 H new ATOM 0 HD23 LEU A 91 8.405 -8.460 -18.014 1.00 71.41 H new ATOM 1400 N GLU A 92 6.983 -4.993 -18.716 1.00 24.20 N ATOM 1401 CA GLU A 92 7.011 -3.535 -18.706 1.00 32.34 C ATOM 1402 C GLU A 92 7.497 -2.991 -20.045 1.00 44.25 C ATOM 1403 O GLU A 92 8.334 -3.603 -20.710 1.00 32.14 O ATOM 1404 CB GLU A 92 7.913 -3.028 -17.579 1.00 20.14 C ATOM 1405 CG GLU A 92 7.443 -3.435 -16.192 1.00 74.44 C ATOM 1406 CD GLU A 92 8.162 -2.685 -15.088 1.00 50.04 C ATOM 1407 OE1 GLU A 92 9.408 -2.615 -15.134 1.00 22.32 O ATOM 1408 OE2 GLU A 92 7.480 -2.168 -14.179 1.00 54.15 O ATOM 0 H GLU A 92 7.739 -5.433 -18.191 1.00 24.20 H new ATOM 0 HA GLU A 92 5.995 -3.179 -18.536 1.00 32.34 H new ATOM 0 HB2 GLU A 92 8.923 -3.406 -17.736 1.00 20.14 H new ATOM 0 HB3 GLU A 92 7.968 -1.941 -17.630 1.00 20.14 H new ATOM 0 HG2 GLU A 92 6.371 -3.256 -16.109 1.00 74.44 H new ATOM 0 HG3 GLU A 92 7.599 -4.506 -16.060 1.00 74.44 H new ATOM 1415 N ARG A 93 6.967 -1.837 -20.436 1.00 53.42 N ATOM 1416 CA ARG A 93 7.345 -1.210 -21.697 1.00 52.11 C ATOM 1417 C ARG A 93 7.333 0.311 -21.573 1.00 72.14 C ATOM 1418 O ARG A 93 6.316 0.968 -21.795 1.00 52.33 O ATOM 1419 CB ARG A 93 6.396 -1.649 -22.814 1.00 41.00 C ATOM 1420 CG ARG A 93 7.052 -1.702 -24.184 1.00 53.53 C ATOM 1421 CD ARG A 93 8.048 -2.846 -24.282 1.00 31.32 C ATOM 1422 NE ARG A 93 8.250 -3.280 -25.662 1.00 30.14 N ATOM 1423 CZ ARG A 93 9.234 -4.088 -26.041 1.00 52.34 C ATOM 1424 NH1 ARG A 93 10.100 -4.547 -25.149 1.00 64.44 N ATOM 1425 NH2 ARG A 93 9.352 -4.438 -27.316 1.00 11.31 N ATOM 0 H ARG A 93 6.274 -1.317 -19.898 1.00 53.42 H new ATOM 0 HA ARG A 93 8.358 -1.529 -21.944 1.00 52.11 H new ATOM 0 HB2 ARG A 93 5.996 -2.634 -22.573 1.00 41.00 H new ATOM 0 HB3 ARG A 93 5.550 -0.962 -22.852 1.00 41.00 H new ATOM 0 HG2 ARG A 93 6.286 -1.819 -24.951 1.00 53.53 H new ATOM 0 HG3 ARG A 93 7.560 -0.758 -24.382 1.00 53.53 H new ATOM 0 HD2 ARG A 93 9.002 -2.533 -23.857 1.00 31.32 H new ATOM 0 HD3 ARG A 93 7.694 -3.687 -23.686 1.00 31.32 H new ATOM 0 HE ARG A 93 7.600 -2.944 -26.373 1.00 30.14 H new ATOM 0 HH11 ARG A 93 10.012 -4.280 -24.168 1.00 64.44 H new ATOM 0 HH12 ARG A 93 10.854 -5.167 -25.443 1.00 64.44 H new ATOM 0 HH21 ARG A 93 8.687 -4.087 -28.005 1.00 11.31 H new ATOM 0 HH22 ARG A 93 10.108 -5.058 -27.607 1.00 11.31 H new ATOM 1439 N PRO A 94 8.490 0.884 -21.210 1.00 54.52 N ATOM 1440 CA PRO A 94 8.638 2.334 -21.049 1.00 21.13 C ATOM 1441 C PRO A 94 8.576 3.075 -22.380 1.00 34.11 C ATOM 1442 O PRO A 94 9.576 3.181 -23.089 1.00 40.25 O ATOM 1443 CB PRO A 94 10.026 2.480 -20.420 1.00 0.31 C ATOM 1444 CG PRO A 94 10.766 1.260 -20.847 1.00 1.00 C ATOM 1445 CD PRO A 94 9.742 0.162 -20.930 1.00 12.23 C ATOM 0 HA PRO A 94 7.835 2.762 -20.449 1.00 21.13 H new ATOM 0 HB2 PRO A 94 10.524 3.386 -20.765 1.00 0.31 H new ATOM 0 HB3 PRO A 94 9.963 2.545 -19.334 1.00 0.31 H new ATOM 0 HG2 PRO A 94 11.251 1.415 -21.811 1.00 1.00 H new ATOM 0 HG3 PRO A 94 11.550 1.009 -20.133 1.00 1.00 H new ATOM 0 HD2 PRO A 94 9.980 -0.551 -21.720 1.00 12.23 H new ATOM 0 HD3 PRO A 94 9.681 -0.402 -19.999 1.00 12.23 H new ATOM 1453 N ARG A 95 7.395 3.586 -22.713 1.00 33.15 N ATOM 1454 CA ARG A 95 7.202 4.317 -23.959 1.00 62.54 C ATOM 1455 C ARG A 95 7.205 5.822 -23.713 1.00 53.40 C ATOM 1456 O ARG A 95 6.816 6.287 -22.641 1.00 63.23 O ATOM 1457 CB ARG A 95 5.888 3.900 -24.622 1.00 70.50 C ATOM 1458 CG ARG A 95 5.508 4.759 -25.816 1.00 44.45 C ATOM 1459 CD ARG A 95 6.505 4.603 -26.955 1.00 33.14 C ATOM 1460 NE ARG A 95 6.538 5.780 -27.819 1.00 20.23 N ATOM 1461 CZ ARG A 95 7.243 5.847 -28.942 1.00 62.24 C ATOM 1462 NH1 ARG A 95 7.969 4.810 -29.336 1.00 63.31 N ATOM 1463 NH2 ARG A 95 7.222 6.953 -29.675 1.00 65.11 N ATOM 0 H ARG A 95 6.557 3.507 -22.137 1.00 33.15 H new ATOM 0 HA ARG A 95 8.030 4.074 -24.625 1.00 62.54 H new ATOM 0 HB2 ARG A 95 5.967 2.861 -24.943 1.00 70.50 H new ATOM 0 HB3 ARG A 95 5.088 3.946 -23.883 1.00 70.50 H new ATOM 0 HG2 ARG A 95 4.512 4.482 -26.162 1.00 44.45 H new ATOM 0 HG3 ARG A 95 5.461 5.805 -25.513 1.00 44.45 H new ATOM 0 HD2 ARG A 95 7.499 4.427 -26.545 1.00 33.14 H new ATOM 0 HD3 ARG A 95 6.244 3.726 -27.547 1.00 33.14 H new ATOM 0 HE ARG A 95 5.989 6.595 -27.545 1.00 20.23 H new ATOM 0 HH11 ARG A 95 7.987 3.958 -28.776 1.00 63.31 H new ATOM 0 HH12 ARG A 95 8.510 4.864 -30.199 1.00 63.31 H new ATOM 0 HH21 ARG A 95 6.664 7.753 -29.376 1.00 65.11 H new ATOM 0 HH22 ARG A 95 7.764 7.004 -30.538 1.00 65.11 H new ATOM 1477 N SER A 96 7.646 6.580 -24.713 1.00 35.35 N ATOM 1478 CA SER A 96 7.703 8.033 -24.603 1.00 72.40 C ATOM 1479 C SER A 96 6.754 8.690 -25.601 1.00 5.42 C ATOM 1480 O SER A 96 6.851 8.465 -26.808 1.00 54.30 O ATOM 1481 CB SER A 96 9.131 8.527 -24.838 1.00 25.01 C ATOM 1482 OG SER A 96 10.023 7.441 -25.020 1.00 5.03 O ATOM 0 H SER A 96 7.969 6.212 -25.608 1.00 35.35 H new ATOM 0 HA SER A 96 7.392 8.310 -23.596 1.00 72.40 H new ATOM 0 HB2 SER A 96 9.156 9.173 -25.716 1.00 25.01 H new ATOM 0 HB3 SER A 96 9.455 9.129 -23.989 1.00 25.01 H new ATOM 0 HG SER A 96 10.929 7.783 -25.170 1.00 5.03 H new ATOM 1488 N LEU A 97 5.838 9.505 -25.088 1.00 64.51 N ATOM 1489 CA LEU A 97 4.871 10.196 -25.933 1.00 1.51 C ATOM 1490 C LEU A 97 5.347 11.608 -26.262 1.00 33.03 C ATOM 1491 O LEU A 97 5.269 12.512 -25.428 1.00 61.55 O ATOM 1492 CB LEU A 97 3.508 10.254 -25.240 1.00 64.42 C ATOM 1493 CG LEU A 97 3.110 9.014 -24.439 1.00 24.23 C ATOM 1494 CD1 LEU A 97 1.689 9.150 -23.916 1.00 32.13 C ATOM 1495 CD2 LEU A 97 3.249 7.761 -25.291 1.00 25.43 C ATOM 0 H LEU A 97 5.745 9.703 -24.092 1.00 64.51 H new ATOM 0 HA LEU A 97 4.775 9.638 -26.864 1.00 1.51 H new ATOM 0 HB2 LEU A 97 3.500 11.113 -24.569 1.00 64.42 H new ATOM 0 HB3 LEU A 97 2.745 10.433 -25.997 1.00 64.42 H new ATOM 0 HG LEU A 97 3.782 8.925 -23.586 1.00 24.23 H new ATOM 0 HD11 LEU A 97 1.423 8.258 -23.348 1.00 32.13 H new ATOM 0 HD12 LEU A 97 1.621 10.025 -23.270 1.00 32.13 H new ATOM 0 HD13 LEU A 97 1.002 9.264 -24.755 1.00 32.13 H new ATOM 0 HD21 LEU A 97 2.961 6.888 -24.704 1.00 25.43 H new ATOM 0 HD22 LEU A 97 2.601 7.841 -26.164 1.00 25.43 H new ATOM 0 HD23 LEU A 97 4.284 7.655 -25.616 1.00 25.43 H new ATOM 1507 N THR A 98 5.838 11.792 -27.483 1.00 60.13 N ATOM 1508 CA THR A 98 6.325 13.093 -27.923 1.00 41.13 C ATOM 1509 C THR A 98 5.170 14.016 -28.294 1.00 51.01 C ATOM 1510 O THR A 98 4.105 13.558 -28.710 1.00 51.13 O ATOM 1511 CB THR A 98 7.269 12.960 -29.133 1.00 25.21 C ATOM 1512 OG1 THR A 98 6.550 12.452 -30.262 1.00 63.12 O ATOM 1513 CG2 THR A 98 8.435 12.037 -28.810 1.00 71.25 C ATOM 0 H THR A 98 5.909 11.056 -28.185 1.00 60.13 H new ATOM 0 HA THR A 98 6.876 13.523 -27.087 1.00 41.13 H new ATOM 0 HB THR A 98 7.663 13.948 -29.369 1.00 25.21 H new ATOM 0 HG1 THR A 98 7.157 12.372 -31.027 1.00 63.12 H new ATOM 0 HG21 THR A 98 9.088 11.958 -29.679 1.00 71.25 H new ATOM 0 HG22 THR A 98 8.997 12.442 -27.969 1.00 71.25 H new ATOM 0 HG23 THR A 98 8.056 11.049 -28.550 1.00 71.25 H new ATOM 1521 N LEU A 99 5.387 15.318 -28.142 1.00 35.34 N ATOM 1522 CA LEU A 99 4.363 16.306 -28.462 1.00 13.44 C ATOM 1523 C LEU A 99 3.851 16.119 -29.886 1.00 45.35 C ATOM 1524 O LEU A 99 4.598 16.280 -30.852 1.00 24.31 O ATOM 1525 CB LEU A 99 4.920 17.721 -28.289 1.00 34.40 C ATOM 1526 CG LEU A 99 4.174 18.620 -27.302 1.00 61.22 C ATOM 1527 CD1 LEU A 99 5.155 19.334 -26.385 1.00 53.11 C ATOM 1528 CD2 LEU A 99 3.308 19.625 -28.047 1.00 12.33 C ATOM 0 H LEU A 99 6.262 15.714 -27.799 1.00 35.34 H new ATOM 0 HA LEU A 99 3.529 16.164 -27.775 1.00 13.44 H new ATOM 0 HB2 LEU A 99 5.958 17.644 -27.966 1.00 34.40 H new ATOM 0 HB3 LEU A 99 4.924 18.210 -29.263 1.00 34.40 H new ATOM 0 HG LEU A 99 3.524 17.995 -26.689 1.00 61.22 H new ATOM 0 HD11 LEU A 99 4.607 19.969 -25.689 1.00 53.11 H new ATOM 0 HD12 LEU A 99 5.732 18.598 -25.826 1.00 53.11 H new ATOM 0 HD13 LEU A 99 5.830 19.948 -26.982 1.00 53.11 H new ATOM 0 HD21 LEU A 99 2.784 20.257 -27.329 1.00 12.33 H new ATOM 0 HD22 LEU A 99 3.938 20.245 -28.685 1.00 12.33 H new ATOM 0 HD23 LEU A 99 2.581 19.094 -28.661 1.00 12.33 H new ATOM 1540 N LYS A 100 2.573 15.781 -30.011 1.00 74.10 N ATOM 1541 CA LYS A 100 1.959 15.575 -31.318 1.00 11.25 C ATOM 1542 C LYS A 100 2.613 14.407 -32.048 1.00 32.41 C ATOM 1543 O LYS A 100 3.099 14.558 -33.168 1.00 73.43 O ATOM 1544 CB LYS A 100 2.072 16.846 -32.163 1.00 13.04 C ATOM 1545 CG LYS A 100 1.087 16.898 -33.318 1.00 34.24 C ATOM 1546 CD LYS A 100 -0.350 16.928 -32.824 1.00 72.42 C ATOM 1547 CE LYS A 100 -1.038 15.586 -33.028 1.00 44.24 C ATOM 1548 NZ LYS A 100 -1.446 15.382 -34.446 1.00 11.51 N ATOM 0 H LYS A 100 1.941 15.644 -29.222 1.00 74.10 H new ATOM 0 HA LYS A 100 0.906 15.340 -31.164 1.00 11.25 H new ATOM 0 HB2 LYS A 100 1.914 17.713 -31.522 1.00 13.04 H new ATOM 0 HB3 LYS A 100 3.085 16.921 -32.557 1.00 13.04 H new ATOM 0 HG2 LYS A 100 1.283 17.782 -33.925 1.00 34.24 H new ATOM 0 HG3 LYS A 100 1.233 16.031 -33.962 1.00 34.24 H new ATOM 0 HD2 LYS A 100 -0.367 17.190 -31.766 1.00 72.42 H new ATOM 0 HD3 LYS A 100 -0.902 17.705 -33.353 1.00 72.42 H new ATOM 0 HE2 LYS A 100 -0.366 14.783 -32.724 1.00 44.24 H new ATOM 0 HE3 LYS A 100 -1.916 15.527 -32.385 1.00 44.24 H new ATOM 0 HZ1 LYS A 100 -1.911 14.457 -34.544 1.00 11.51 H new ATOM 0 HZ2 LYS A 100 -2.107 16.133 -34.729 1.00 11.51 H new ATOM 0 HZ3 LYS A 100 -0.605 15.413 -35.057 1.00 11.51 H new ATOM 1562 N GLU A 101 2.619 13.242 -31.406 1.00 45.41 N ATOM 1563 CA GLU A 101 3.213 12.049 -31.997 1.00 24.25 C ATOM 1564 C GLU A 101 2.387 11.559 -33.182 1.00 52.53 C ATOM 1565 O GLU A 101 1.245 11.979 -33.372 1.00 32.55 O ATOM 1566 CB GLU A 101 3.330 10.939 -30.950 1.00 22.04 C ATOM 1567 CG GLU A 101 4.331 9.857 -31.319 1.00 31.21 C ATOM 1568 CD GLU A 101 4.610 8.905 -30.172 1.00 63.22 C ATOM 1569 OE1 GLU A 101 5.205 9.347 -29.167 1.00 21.43 O ATOM 1570 OE2 GLU A 101 4.235 7.719 -30.280 1.00 32.11 O ATOM 0 H GLU A 101 2.220 13.100 -30.478 1.00 45.41 H new ATOM 0 HA GLU A 101 4.209 12.310 -32.354 1.00 24.25 H new ATOM 0 HB2 GLU A 101 3.620 11.380 -29.996 1.00 22.04 H new ATOM 0 HB3 GLU A 101 2.351 10.482 -30.806 1.00 22.04 H new ATOM 0 HG2 GLU A 101 3.952 9.292 -32.171 1.00 31.21 H new ATOM 0 HG3 GLU A 101 5.264 10.323 -31.635 1.00 31.21 H new ATOM 1577 N ARG A 102 2.973 10.671 -33.978 1.00 32.31 N ATOM 1578 CA ARG A 102 2.292 10.125 -35.146 1.00 42.42 C ATOM 1579 C ARG A 102 1.389 8.959 -34.754 1.00 43.34 C ATOM 1580 O ARG A 102 1.670 8.239 -33.797 1.00 35.15 O ATOM 1581 CB ARG A 102 3.313 9.666 -36.189 1.00 53.02 C ATOM 1582 CG ARG A 102 2.757 9.614 -37.603 1.00 21.40 C ATOM 1583 CD ARG A 102 3.619 8.748 -38.508 1.00 70.44 C ATOM 1584 NE ARG A 102 3.021 8.572 -39.829 1.00 41.43 N ATOM 1585 CZ ARG A 102 3.487 7.726 -40.740 1.00 60.45 C ATOM 1586 NH1 ARG A 102 4.551 6.980 -40.475 1.00 11.21 N ATOM 1587 NH2 ARG A 102 2.888 7.623 -41.920 1.00 61.41 N ATOM 0 H ARG A 102 3.918 10.314 -33.836 1.00 32.31 H new ATOM 0 HA ARG A 102 1.673 10.912 -35.576 1.00 42.42 H new ATOM 0 HB2 ARG A 102 4.169 10.341 -36.169 1.00 53.02 H new ATOM 0 HB3 ARG A 102 3.680 8.677 -35.915 1.00 53.02 H new ATOM 0 HG2 ARG A 102 1.741 9.221 -37.581 1.00 21.40 H new ATOM 0 HG3 ARG A 102 2.700 10.623 -38.010 1.00 21.40 H new ATOM 0 HD2 ARG A 102 4.604 9.203 -38.614 1.00 70.44 H new ATOM 0 HD3 ARG A 102 3.766 7.773 -38.044 1.00 70.44 H new ATOM 0 HE ARG A 102 2.200 9.130 -40.065 1.00 41.43 H new ATOM 0 HH11 ARG A 102 5.014 7.055 -39.569 1.00 11.21 H new ATOM 0 HH12 ARG A 102 4.906 6.331 -41.177 1.00 11.21 H new ATOM 0 HH21 ARG A 102 2.069 8.194 -42.128 1.00 61.41 H new ATOM 0 HH22 ARG A 102 3.247 6.973 -42.619 1.00 61.41 H new ATOM 1601 N SER A 103 0.305 8.781 -35.502 1.00 34.55 N ATOM 1602 CA SER A 103 -0.642 7.705 -35.230 1.00 0.02 C ATOM 1603 C SER A 103 -0.173 6.397 -35.859 1.00 23.42 C ATOM 1604 O SER A 103 0.367 6.385 -36.966 1.00 22.21 O ATOM 1605 CB SER A 103 -2.029 8.071 -35.762 1.00 1.22 C ATOM 1606 OG SER A 103 -1.976 8.404 -37.138 1.00 44.31 O ATOM 0 H SER A 103 0.060 9.367 -36.300 1.00 34.55 H new ATOM 0 HA SER A 103 -0.699 7.569 -34.150 1.00 0.02 H new ATOM 0 HB2 SER A 103 -2.711 7.234 -35.613 1.00 1.22 H new ATOM 0 HB3 SER A 103 -2.429 8.913 -35.196 1.00 1.22 H new ATOM 0 HG SER A 103 -2.875 8.632 -37.454 1.00 44.31 H new ATOM 1612 N LEU A 104 -0.382 5.296 -35.145 1.00 53.10 N ATOM 1613 CA LEU A 104 0.019 3.981 -35.632 1.00 34.42 C ATOM 1614 C LEU A 104 -0.746 2.876 -34.909 1.00 3.24 C ATOM 1615 O LEU A 104 -0.760 2.822 -33.679 1.00 75.24 O ATOM 1616 CB LEU A 104 1.524 3.782 -35.444 1.00 14.33 C ATOM 1617 CG LEU A 104 2.159 2.656 -36.259 1.00 44.15 C ATOM 1618 CD1 LEU A 104 3.656 2.881 -36.404 1.00 5.21 C ATOM 1619 CD2 LEU A 104 1.881 1.307 -35.613 1.00 70.24 C ATOM 0 H LEU A 104 -0.827 5.288 -34.227 1.00 53.10 H new ATOM 0 HA LEU A 104 -0.218 3.927 -36.695 1.00 34.42 H new ATOM 0 HB2 LEU A 104 2.028 4.715 -35.697 1.00 14.33 H new ATOM 0 HB3 LEU A 104 1.716 3.592 -34.388 1.00 14.33 H new ATOM 0 HG LEU A 104 1.714 2.658 -37.254 1.00 44.15 H new ATOM 0 HD11 LEU A 104 4.091 2.069 -36.987 1.00 5.21 H new ATOM 0 HD12 LEU A 104 3.834 3.829 -36.912 1.00 5.21 H new ATOM 0 HD13 LEU A 104 4.117 2.906 -35.417 1.00 5.21 H new ATOM 0 HD21 LEU A 104 2.341 0.517 -36.207 1.00 70.24 H new ATOM 0 HD22 LEU A 104 2.298 1.293 -34.606 1.00 70.24 H new ATOM 0 HD23 LEU A 104 0.805 1.143 -35.562 1.00 70.24 H new ATOM 1631 N GLU A 105 -1.377 1.997 -35.681 1.00 12.35 N ATOM 1632 CA GLU A 105 -2.142 0.893 -35.112 1.00 40.43 C ATOM 1633 C GLU A 105 -1.268 -0.347 -34.949 1.00 50.21 C ATOM 1634 O GLU A 105 -0.992 -1.057 -35.916 1.00 61.24 O ATOM 1635 CB GLU A 105 -3.347 0.569 -35.998 1.00 65.04 C ATOM 1636 CG GLU A 105 -4.484 1.567 -35.868 1.00 55.30 C ATOM 1637 CD GLU A 105 -5.581 1.339 -36.890 1.00 42.15 C ATOM 1638 OE1 GLU A 105 -5.505 0.332 -37.625 1.00 75.12 O ATOM 1639 OE2 GLU A 105 -6.513 2.167 -36.956 1.00 72.13 O ATOM 0 H GLU A 105 -1.374 2.027 -36.701 1.00 12.35 H new ATOM 0 HA GLU A 105 -2.496 1.199 -34.127 1.00 40.43 H new ATOM 0 HB2 GLU A 105 -3.023 0.533 -37.038 1.00 65.04 H new ATOM 0 HB3 GLU A 105 -3.716 -0.425 -35.745 1.00 65.04 H new ATOM 0 HG2 GLU A 105 -4.907 1.501 -34.866 1.00 55.30 H new ATOM 0 HG3 GLU A 105 -4.091 2.577 -35.982 1.00 55.30 H new ATOM 1646 N HIS A 106 -0.835 -0.601 -33.718 1.00 50.32 N ATOM 1647 CA HIS A 106 0.008 -1.755 -33.427 1.00 51.01 C ATOM 1648 C HIS A 106 -0.841 -2.969 -33.060 1.00 42.34 C ATOM 1649 O HIS A 106 -0.841 -3.976 -33.769 1.00 24.13 O ATOM 1650 CB HIS A 106 0.976 -1.432 -32.289 1.00 32.05 C ATOM 1651 CG HIS A 106 2.224 -2.260 -32.310 1.00 73.02 C ATOM 1652 ND1 HIS A 106 2.722 -2.899 -31.195 1.00 5.24 N ATOM 1653 CD2 HIS A 106 3.074 -2.553 -33.322 1.00 30.54 C ATOM 1654 CE1 HIS A 106 3.827 -3.548 -31.519 1.00 15.15 C ATOM 1655 NE2 HIS A 106 4.062 -3.355 -32.804 1.00 15.11 N ATOM 0 H HIS A 106 -1.054 -0.023 -32.906 1.00 50.32 H new ATOM 0 HA HIS A 106 0.580 -1.992 -34.324 1.00 51.01 H new ATOM 0 HB2 HIS A 106 1.248 -0.378 -32.343 1.00 32.05 H new ATOM 0 HB3 HIS A 106 0.467 -1.581 -31.337 1.00 32.05 H new ATOM 0 HD2 HIS A 106 2.991 -2.219 -34.346 1.00 30.54 H new ATOM 0 HE1 HIS A 106 4.434 -4.136 -30.847 1.00 15.15 H new ATOM 0 HE2 HIS A 106 4.849 -3.739 -33.327 1.00 15.11 H new ATOM 1663 N HIS A 107 -1.563 -2.866 -31.949 1.00 23.00 N ATOM 1664 CA HIS A 107 -2.416 -3.956 -31.488 1.00 42.31 C ATOM 1665 C HIS A 107 -1.602 -5.228 -31.271 1.00 73.13 C ATOM 1666 O HIS A 107 -1.983 -6.306 -31.728 1.00 73.34 O ATOM 1667 CB HIS A 107 -3.535 -4.217 -32.497 1.00 25.41 C ATOM 1668 CG HIS A 107 -4.651 -3.222 -32.424 1.00 74.22 C ATOM 1669 ND1 HIS A 107 -5.134 -2.551 -33.528 1.00 13.24 N ATOM 1670 CD2 HIS A 107 -5.382 -2.787 -31.371 1.00 73.03 C ATOM 1671 CE1 HIS A 107 -6.113 -1.744 -33.156 1.00 64.53 C ATOM 1672 NE2 HIS A 107 -6.283 -1.869 -31.853 1.00 33.25 N ATOM 0 H HIS A 107 -1.575 -2.039 -31.351 1.00 23.00 H new ATOM 0 HA HIS A 107 -2.857 -3.662 -30.536 1.00 42.31 H new ATOM 0 HB2 HIS A 107 -3.116 -4.207 -33.503 1.00 25.41 H new ATOM 0 HB3 HIS A 107 -3.938 -5.216 -32.330 1.00 25.41 H new ATOM 0 HD2 HIS A 107 -5.277 -3.103 -30.344 1.00 73.03 H new ATOM 0 HE1 HIS A 107 -6.678 -1.093 -33.807 1.00 64.53 H new ATOM 0 HE2 HIS A 107 -6.972 -1.365 -31.294 1.00 33.25 H new ATOM 1680 N HIS A 108 -0.480 -5.095 -30.572 1.00 23.20 N ATOM 1681 CA HIS A 108 0.388 -6.234 -30.295 1.00 31.51 C ATOM 1682 C HIS A 108 0.786 -6.941 -31.587 1.00 61.12 C ATOM 1683 O HIS A 108 0.846 -8.170 -31.642 1.00 10.11 O ATOM 1684 CB HIS A 108 -0.311 -7.218 -29.356 1.00 72.55 C ATOM 1685 CG HIS A 108 0.616 -8.222 -28.742 1.00 54.03 C ATOM 1686 ND1 HIS A 108 1.879 -7.903 -28.292 1.00 42.41 N ATOM 1687 CD2 HIS A 108 0.456 -9.545 -28.503 1.00 52.43 C ATOM 1688 CE1 HIS A 108 2.457 -8.986 -27.804 1.00 42.22 C ATOM 1689 NE2 HIS A 108 1.614 -9.996 -27.920 1.00 42.01 N ATOM 0 H HIS A 108 -0.150 -4.210 -30.187 1.00 23.20 H new ATOM 0 HA HIS A 108 1.292 -5.862 -29.812 1.00 31.51 H new ATOM 0 HB2 HIS A 108 -0.806 -6.660 -28.562 1.00 72.55 H new ATOM 0 HB3 HIS A 108 -1.089 -7.745 -29.909 1.00 72.55 H new ATOM 0 HD2 HIS A 108 -0.420 -10.135 -28.729 1.00 52.43 H new ATOM 0 HE1 HIS A 108 3.450 -9.037 -27.382 1.00 42.22 H new ATOM 0 HE2 HIS A 108 1.794 -10.955 -27.624 1.00 42.01 H new ATOM 1697 N HIS A 109 1.057 -6.157 -32.626 1.00 13.33 N ATOM 1698 CA HIS A 109 1.449 -6.708 -33.918 1.00 40.41 C ATOM 1699 C HIS A 109 0.415 -7.712 -34.417 1.00 74.11 C ATOM 1700 O HIS A 109 0.756 -8.830 -34.804 1.00 22.21 O ATOM 1701 CB HIS A 109 2.820 -7.378 -33.816 1.00 14.42 C ATOM 1702 CG HIS A 109 3.513 -7.526 -35.135 1.00 24.53 C ATOM 1703 ND1 HIS A 109 3.557 -6.523 -36.080 1.00 23.15 N ATOM 1704 CD2 HIS A 109 4.195 -8.569 -35.664 1.00 21.43 C ATOM 1705 CE1 HIS A 109 4.234 -6.943 -37.133 1.00 45.13 C ATOM 1706 NE2 HIS A 109 4.633 -8.182 -36.906 1.00 52.42 N ATOM 0 H HIS A 109 1.012 -5.138 -32.598 1.00 13.33 H new ATOM 0 HA HIS A 109 1.506 -5.887 -34.633 1.00 40.41 H new ATOM 0 HB2 HIS A 109 3.452 -6.794 -33.146 1.00 14.42 H new ATOM 0 HB3 HIS A 109 2.701 -8.363 -33.365 1.00 14.42 H new ATOM 0 HD2 HIS A 109 4.363 -9.528 -35.196 1.00 21.43 H new ATOM 0 HE1 HIS A 109 4.429 -6.371 -38.028 1.00 45.13 H new ATOM 0 HE2 HIS A 109 5.178 -8.757 -37.549 1.00 52.42 H new ATOM 1714 N HIS A 110 -0.851 -7.306 -34.405 1.00 32.32 N ATOM 1715 CA HIS A 110 -1.936 -8.171 -34.856 1.00 64.21 C ATOM 1716 C HIS A 110 -2.908 -7.404 -35.747 1.00 1.42 C ATOM 1717 O HIS A 110 -3.259 -6.259 -35.458 1.00 32.20 O ATOM 1718 CB HIS A 110 -2.680 -8.759 -33.657 1.00 21.21 C ATOM 1719 CG HIS A 110 -3.471 -9.988 -33.986 1.00 43.35 C ATOM 1720 ND1 HIS A 110 -4.835 -10.075 -33.808 1.00 12.32 N ATOM 1721 CD2 HIS A 110 -3.081 -11.183 -34.488 1.00 74.11 C ATOM 1722 CE1 HIS A 110 -5.251 -11.271 -34.183 1.00 62.15 C ATOM 1723 NE2 HIS A 110 -4.206 -11.963 -34.601 1.00 20.01 N ATOM 0 H HIS A 110 -1.151 -6.384 -34.088 1.00 32.32 H new ATOM 0 HA HIS A 110 -1.501 -8.984 -35.438 1.00 64.21 H new ATOM 0 HB2 HIS A 110 -1.960 -8.999 -32.875 1.00 21.21 H new ATOM 0 HB3 HIS A 110 -3.352 -8.003 -33.250 1.00 21.21 H new ATOM 0 HD2 HIS A 110 -2.073 -11.470 -34.751 1.00 74.11 H new ATOM 0 HE1 HIS A 110 -6.271 -11.623 -34.153 1.00 62.15 H new ATOM 0 HE2 HIS A 110 -4.231 -12.921 -34.951 1.00 20.01 H new ATOM 1731 N HIS A 111 -3.339 -8.041 -36.831 1.00 44.41 N ATOM 1732 CA HIS A 111 -4.270 -7.417 -37.764 1.00 73.33 C ATOM 1733 C HIS A 111 -5.657 -7.285 -37.141 1.00 5.42 C ATOM 1734 O HIS A 111 -6.409 -8.256 -37.066 1.00 32.44 O ATOM 1735 CB HIS A 111 -4.355 -8.233 -39.055 1.00 3.12 C ATOM 1736 CG HIS A 111 -5.145 -7.563 -40.136 1.00 44.34 C ATOM 1737 ND1 HIS A 111 -6.220 -8.158 -40.762 1.00 42.40 N ATOM 1738 CD2 HIS A 111 -5.012 -6.340 -40.702 1.00 25.11 C ATOM 1739 CE1 HIS A 111 -6.713 -7.331 -41.667 1.00 2.33 C ATOM 1740 NE2 HIS A 111 -5.998 -6.220 -41.650 1.00 23.31 N ATOM 0 H HIS A 111 -3.059 -8.988 -37.085 1.00 44.41 H new ATOM 0 HA HIS A 111 -3.898 -6.419 -37.997 1.00 73.33 H new ATOM 0 HB2 HIS A 111 -3.346 -8.426 -39.420 1.00 3.12 H new ATOM 0 HB3 HIS A 111 -4.805 -9.201 -38.834 1.00 3.12 H new ATOM 0 HD2 HIS A 111 -4.268 -5.597 -40.454 1.00 25.11 H new ATOM 0 HE1 HIS A 111 -7.557 -7.529 -42.311 1.00 2.33 H new ATOM 0 HE2 HIS A 111 -6.153 -5.406 -42.244 1.00 23.31 H new TER 1748 HIS A 111