USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 834 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 74 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Set 1.2: A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 6 ASN : amide:sc= 0.396 K(o=1.1,f=-1.9!) USER MOD Set 2.2: A 89 GLN : amide:sc= 0.738 K(o=1.1,f=-2.3) USER MOD Set 3.1: A 84 ASN : amide:sc= 0.748 K(o=1.7,f=0.5) USER MOD Set 3.2: A 86 TYR OH : rot 180:sc= 0.978 USER MOD Set 4.1: A 24 HIS : no HE2:sc= 0.692 K(o=1.5,f=-3.6!) USER MOD Set 4.2: A 50 TYR OH : rot -143:sc= 0.805 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.879 (180deg=-0.268) USER MOD Single : A 8 LYS NZ :NH3+ 136:sc= 1.26 (180deg=-0.072) USER MOD Single : A 9 HIS : no HE2:sc= -0.62 K(o=-0.61,f=-5.2!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 15 ASN : amide:sc= -0.0897 X(o=-0.09,f=-0.43) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 1.16 (180deg=1.05) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.056 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.00458 X(o=0.0046,f=-0.022) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -72:sc= 0.104 USER MOD Single : A 31 ASN : amide:sc= 0.279 X(o=0.28,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 35 MET CE :methyl -151:sc= -0.472 (180deg=-3.11!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= -0.0578 (180deg=-0.423) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.155) USER MOD Single : A 43 SER OG : rot -30:sc= 1.16 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc=-0.00504 X(o=-0.005,f=0) USER MOD Single : A 52 SER OG : rot 101:sc= 1.29 USER MOD Single : A 57 SER OG : rot -42:sc= 1.29 USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= 1.29 (180deg=1.12) USER MOD Single : A 63 CYS SG : rot -92:sc= -1.87! USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= -0.113 (180deg=-0.496) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0258) USER MOD Single : A 72 LYS NZ :NH3+ -136:sc= 1.24 (180deg=-0.632) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -108:sc= 1.01 (180deg=-1.43) USER MOD Single : A 81 SER OG : rot -91:sc= 1.34 USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= 1.22 (180deg=0.36) USER MOD Single : A 97 ASN : amide:sc= -0.0191 K(o=-0.019,f=-1.3!) USER MOD Single : A 98 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 104 SER OG : rot 69:sc= 1.06 USER MOD Single : A 105 SER OG : rot 73:sc= 0.897 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.043 -13.126 -16.908 1.00 1.74 N ATOM 2 CA MET A 1 -9.324 -12.374 -17.041 1.00 1.02 C ATOM 3 C MET A 1 -9.403 -11.321 -15.935 1.00 0.87 C ATOM 4 O MET A 1 -10.478 -11.043 -15.401 1.00 1.29 O ATOM 5 CB MET A 1 -10.536 -13.318 -16.970 1.00 1.60 C ATOM 6 CG MET A 1 -10.620 -14.231 -18.192 1.00 2.33 C ATOM 7 SD MET A 1 -11.705 -15.642 -17.911 1.00 3.31 S ATOM 8 CE MET A 1 -10.578 -17.020 -18.186 1.00 4.33 C ATOM 0 H1 MET A 1 -8.204 -14.129 -17.131 1.00 1.74 H new ATOM 0 H2 MET A 1 -7.340 -12.734 -17.567 1.00 1.74 H new ATOM 0 H3 MET A 1 -7.690 -13.041 -15.934 1.00 1.74 H new ATOM 0 HA MET A 1 -9.346 -11.887 -18.016 1.00 1.02 H new ATOM 0 HB2 MET A 1 -10.471 -13.925 -16.067 1.00 1.60 H new ATOM 0 HB3 MET A 1 -11.450 -12.730 -16.893 1.00 1.60 H new ATOM 0 HG2 MET A 1 -10.983 -13.660 -19.046 1.00 2.33 H new ATOM 0 HG3 MET A 1 -9.622 -14.587 -18.447 1.00 2.33 H new ATOM 0 HE1 MET A 1 -11.112 -17.960 -18.046 1.00 4.33 H new ATOM 0 HE2 MET A 1 -10.186 -16.973 -19.202 1.00 4.33 H new ATOM 0 HE3 MET A 1 -9.753 -16.962 -17.476 1.00 4.33 H new ATOM 20 N GLU A 2 -8.248 -10.760 -15.580 1.00 0.51 N ATOM 21 CA GLU A 2 -8.139 -9.762 -14.522 1.00 0.37 C ATOM 22 C GLU A 2 -7.799 -8.396 -15.111 1.00 0.34 C ATOM 23 O GLU A 2 -7.090 -8.302 -16.115 1.00 0.48 O ATOM 24 CB GLU A 2 -7.035 -10.198 -13.550 1.00 0.53 C ATOM 25 CG GLU A 2 -7.499 -11.321 -12.610 1.00 0.96 C ATOM 26 CD GLU A 2 -7.886 -12.580 -13.387 1.00 1.61 C ATOM 27 OE1 GLU A 2 -7.094 -13.029 -14.239 1.00 2.09 O ATOM 28 OE2 GLU A 2 -8.981 -13.136 -13.135 1.00 2.16 O ATOM 0 H GLU A 2 -7.357 -10.988 -16.022 1.00 0.51 H new ATOM 0 HA GLU A 2 -9.091 -9.682 -13.998 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.167 -10.536 -14.117 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.715 -9.340 -12.958 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.703 -11.558 -11.905 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.352 -10.977 -12.024 1.00 0.96 H new ATOM 35 N GLY A 3 -8.295 -7.339 -14.476 1.00 0.25 N ATOM 36 CA GLY A 3 -8.030 -5.975 -14.931 1.00 0.28 C ATOM 37 C GLY A 3 -8.995 -4.973 -14.298 1.00 0.22 C ATOM 38 O GLY A 3 -9.940 -5.352 -13.595 1.00 0.22 O ATOM 0 H GLY A 3 -8.883 -7.399 -13.645 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.005 -5.701 -14.682 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.118 -5.929 -16.017 1.00 0.28 H new ATOM 42 N PHE A 4 -8.745 -3.687 -14.560 1.00 0.24 N ATOM 43 CA PHE A 4 -9.576 -2.596 -14.040 1.00 0.21 C ATOM 44 C PHE A 4 -10.856 -2.460 -14.869 1.00 0.22 C ATOM 45 O PHE A 4 -10.876 -2.773 -16.060 1.00 0.27 O ATOM 46 CB PHE A 4 -8.795 -1.273 -14.066 1.00 0.23 C ATOM 47 CG PHE A 4 -8.013 -1.025 -12.796 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.670 -0.769 -11.600 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.631 -1.057 -12.827 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.940 -0.549 -10.442 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.906 -0.835 -11.675 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.602 -0.561 -10.457 1.00 0.41 C ATOM 0 H PHE A 4 -7.964 -3.373 -15.136 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.846 -2.828 -13.010 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.109 -1.279 -14.913 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.491 -0.449 -14.225 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.749 -0.741 -11.572 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.118 -1.256 -13.756 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.459 -0.365 -9.513 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.827 -0.868 -11.693 1.00 0.41 H new ATOM 0 HZ PHE A 4 -6.049 -0.364 -9.550 1.00 0.41 H new ATOM 62 N LEU A 5 -11.908 -1.987 -14.225 1.00 0.19 N ATOM 63 CA LEU A 5 -13.206 -1.793 -14.864 1.00 0.21 C ATOM 64 C LEU A 5 -13.986 -0.712 -14.119 1.00 0.20 C ATOM 65 O LEU A 5 -13.903 -0.608 -12.890 1.00 0.21 O ATOM 66 CB LEU A 5 -14.019 -3.106 -14.837 1.00 0.23 C ATOM 67 CG LEU A 5 -13.971 -3.867 -16.166 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.825 -5.132 -16.074 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.447 -2.990 -17.321 1.00 0.31 C ATOM 0 H LEU A 5 -11.890 -1.724 -13.240 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.044 -1.491 -15.899 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.636 -3.748 -14.043 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.057 -2.880 -14.592 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.936 -4.147 -16.362 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.786 -5.667 -17.023 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.442 -5.773 -15.280 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.857 -4.859 -15.854 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.402 -3.557 -18.251 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.474 -2.674 -17.138 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.806 -2.112 -17.400 1.00 0.31 H new ATOM 81 N ASN A 6 -14.788 0.053 -14.855 1.00 0.22 N ATOM 82 CA ASN A 6 -15.646 1.085 -14.253 1.00 0.23 C ATOM 83 C ASN A 6 -16.952 0.393 -13.863 1.00 0.22 C ATOM 84 O ASN A 6 -17.502 -0.344 -14.673 1.00 0.26 O ATOM 85 CB ASN A 6 -15.891 2.235 -15.255 1.00 0.28 C ATOM 86 CG ASN A 6 -15.937 3.597 -14.554 1.00 0.72 C ATOM 87 OD1 ASN A 6 -16.050 3.682 -13.331 1.00 1.49 O ATOM 88 ND2 ASN A 6 -15.865 4.672 -15.331 1.00 1.24 N ATOM 0 H ASN A 6 -14.866 -0.018 -15.870 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.177 1.532 -13.377 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.101 2.238 -16.005 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.830 2.065 -15.782 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -15.903 5.604 -14.917 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -15.772 4.566 -16.341 1.00 1.24 H new ATOM 95 N ARG A 7 -17.420 0.575 -12.627 1.00 0.23 N ATOM 96 CA ARG A 7 -18.644 -0.096 -12.156 1.00 0.24 C ATOM 97 C ARG A 7 -19.704 0.906 -11.706 1.00 0.25 C ATOM 98 O ARG A 7 -19.429 1.807 -10.913 1.00 0.32 O ATOM 99 CB ARG A 7 -18.308 -1.041 -10.992 1.00 0.28 C ATOM 100 CG ARG A 7 -19.494 -1.949 -10.654 1.00 0.34 C ATOM 101 CD ARG A 7 -19.067 -3.133 -9.782 1.00 0.54 C ATOM 102 NE ARG A 7 -19.106 -2.777 -8.357 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.778 -3.511 -7.465 1.00 1.16 C ATOM 104 NH1 ARG A 7 -19.310 -4.698 -7.099 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.894 -3.039 -6.927 1.00 1.71 N ATOM 0 H ARG A 7 -16.976 1.177 -11.933 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.050 -0.664 -12.993 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.443 -1.651 -11.253 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -18.032 -0.457 -10.114 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.259 -1.371 -10.135 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.944 -2.319 -11.575 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.725 -3.982 -9.967 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.059 -3.446 -10.055 1.00 0.54 H new ATOM 0 HE ARG A 7 -18.606 -1.946 -8.040 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -18.439 -5.048 -7.498 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -19.821 -5.260 -6.418 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -21.239 -2.117 -7.194 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -21.408 -3.598 -6.246 1.00 1.71 H new ATOM 119 N LYS A 8 -20.921 0.715 -12.206 1.00 0.27 N ATOM 120 CA LYS A 8 -22.068 1.556 -11.869 1.00 0.29 C ATOM 121 C LYS A 8 -23.310 0.678 -11.814 1.00 0.29 C ATOM 122 O LYS A 8 -23.747 0.145 -12.833 1.00 0.38 O ATOM 123 CB LYS A 8 -22.242 2.660 -12.925 1.00 0.36 C ATOM 124 CG LYS A 8 -23.480 3.548 -12.672 1.00 0.37 C ATOM 125 CD LYS A 8 -24.357 3.689 -13.929 1.00 0.50 C ATOM 126 CE LYS A 8 -25.743 3.051 -13.746 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.576 3.784 -12.751 1.00 1.02 N ATOM 0 H LYS A 8 -21.142 -0.034 -12.862 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.909 2.033 -10.902 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.350 3.286 -12.939 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.325 2.202 -13.911 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -24.073 3.121 -11.863 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.156 4.536 -12.343 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.475 4.745 -14.171 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.853 3.222 -14.775 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.261 3.030 -14.705 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.625 2.016 -13.425 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.543 3.890 -13.119 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.602 3.250 -11.859 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.165 4.724 -12.580 1.00 1.02 H new ATOM 141 N HIS A 9 -23.885 0.528 -10.627 1.00 0.43 N ATOM 142 CA HIS A 9 -25.090 -0.286 -10.454 1.00 0.52 C ATOM 143 C HIS A 9 -26.308 0.437 -11.044 1.00 0.58 C ATOM 144 O HIS A 9 -26.449 1.652 -10.895 1.00 0.73 O ATOM 145 CB HIS A 9 -25.319 -0.637 -8.967 1.00 0.68 C ATOM 146 CG HIS A 9 -25.273 0.525 -8.006 1.00 0.88 C ATOM 147 ND1 HIS A 9 -25.498 0.379 -6.662 1.00 1.21 N ATOM 148 CD2 HIS A 9 -25.010 1.851 -8.169 1.00 1.22 C ATOM 149 CE1 HIS A 9 -25.388 1.522 -6.035 1.00 1.69 C ATOM 150 NE2 HIS A 9 -25.087 2.451 -6.927 1.00 1.75 N ATOM 0 H HIS A 9 -23.540 0.957 -9.769 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.950 -1.223 -10.993 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -26.290 -1.124 -8.873 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -24.566 -1.365 -8.664 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -25.722 -0.507 -6.209 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -24.782 2.345 -9.102 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -25.520 1.679 -4.975 1.00 1.69 H new ATOM 158 N GLU A 10 -27.164 -0.315 -11.735 1.00 0.60 N ATOM 159 CA GLU A 10 -28.367 0.235 -12.370 1.00 0.73 C ATOM 160 C GLU A 10 -29.602 -0.103 -11.539 1.00 0.83 C ATOM 161 O GLU A 10 -30.417 0.766 -11.249 1.00 1.00 O ATOM 162 CB GLU A 10 -28.514 -0.330 -13.797 1.00 0.79 C ATOM 163 CG GLU A 10 -28.186 0.725 -14.857 1.00 1.28 C ATOM 164 CD GLU A 10 -29.223 1.842 -14.853 1.00 1.19 C ATOM 165 OE1 GLU A 10 -30.351 1.622 -15.347 1.00 1.72 O ATOM 166 OE2 GLU A 10 -28.909 2.941 -14.354 1.00 1.52 O ATOM 0 H GLU A 10 -27.046 -1.319 -11.872 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.272 1.319 -12.428 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.852 -1.188 -13.919 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.532 -0.690 -13.944 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -27.197 1.141 -14.667 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -28.152 0.259 -15.842 1.00 1.28 H new ATOM 173 N TRP A 11 -29.725 -1.371 -11.166 1.00 0.82 N ATOM 174 CA TRP A 11 -30.849 -1.860 -10.369 1.00 0.96 C ATOM 175 C TRP A 11 -30.309 -2.828 -9.313 1.00 0.94 C ATOM 176 O TRP A 11 -29.514 -3.720 -9.632 1.00 0.84 O ATOM 177 CB TRP A 11 -31.868 -2.547 -11.303 1.00 1.08 C ATOM 178 CG TRP A 11 -32.896 -3.396 -10.597 1.00 1.26 C ATOM 179 CD1 TRP A 11 -34.086 -2.979 -10.065 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.817 -4.817 -10.350 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.717 -4.058 -9.512 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.978 -5.188 -9.670 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.874 -5.806 -10.640 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.216 -6.495 -9.275 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.105 -7.116 -10.252 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.270 -7.458 -9.576 1.00 1.53 C ATOM 0 H TRP A 11 -29.047 -2.094 -11.407 1.00 0.82 H new ATOM 0 HA TRP A 11 -31.358 -1.041 -9.861 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -32.384 -1.781 -11.882 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -31.326 -3.172 -12.013 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -34.463 -1.967 -10.080 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.622 -4.020 -9.043 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.966 -5.550 -11.166 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.120 -6.756 -8.744 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.373 -7.878 -10.477 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.438 -8.484 -9.283 1.00 1.53 H new ATOM 197 N GLU A 12 -30.736 -2.645 -8.063 1.00 1.16 N ATOM 198 CA GLU A 12 -30.290 -3.499 -6.956 1.00 1.26 C ATOM 199 C GLU A 12 -31.161 -3.291 -5.713 1.00 1.56 C ATOM 200 O GLU A 12 -30.658 -3.326 -4.588 1.00 2.03 O ATOM 201 CB GLU A 12 -28.819 -3.194 -6.619 1.00 1.34 C ATOM 202 CG GLU A 12 -28.575 -1.688 -6.397 1.00 1.63 C ATOM 203 CD GLU A 12 -27.630 -1.461 -5.223 1.00 1.81 C ATOM 204 OE1 GLU A 12 -26.434 -1.792 -5.344 1.00 2.05 O ATOM 205 OE2 GLU A 12 -28.078 -0.950 -4.178 1.00 2.09 O ATOM 0 H GLU A 12 -31.391 -1.913 -7.789 1.00 1.16 H new ATOM 0 HA GLU A 12 -30.384 -4.539 -7.269 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -28.532 -3.743 -5.723 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -28.181 -3.549 -7.429 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -28.153 -1.246 -7.300 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -29.524 -1.185 -6.209 1.00 1.63 H new ATOM 212 N ALA A 13 -32.462 -3.069 -5.908 1.00 1.77 N ATOM 213 CA ALA A 13 -33.375 -2.850 -4.782 1.00 2.14 C ATOM 214 C ALA A 13 -34.829 -3.114 -5.184 1.00 2.15 C ATOM 215 O ALA A 13 -35.622 -2.184 -5.305 1.00 2.54 O ATOM 216 CB ALA A 13 -33.223 -1.417 -4.252 1.00 2.70 C ATOM 0 H ALA A 13 -32.905 -3.036 -6.826 1.00 1.77 H new ATOM 0 HA ALA A 13 -33.113 -3.554 -3.993 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -33.905 -1.264 -3.416 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -32.198 -1.260 -3.917 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -33.458 -0.708 -5.046 1.00 2.70 H new ATOM 222 N HIS A 14 -35.161 -4.399 -5.356 1.00 2.38 N ATOM 223 CA HIS A 14 -36.520 -4.871 -5.716 1.00 2.81 C ATOM 224 C HIS A 14 -37.066 -4.190 -6.982 1.00 2.77 C ATOM 225 O HIS A 14 -36.937 -4.724 -8.084 1.00 3.31 O ATOM 226 CB HIS A 14 -37.493 -4.683 -4.535 1.00 3.51 C ATOM 227 CG HIS A 14 -37.383 -5.768 -3.500 1.00 3.99 C ATOM 228 ND1 HIS A 14 -37.723 -7.073 -3.742 1.00 4.73 N ATOM 229 CD2 HIS A 14 -36.971 -5.749 -2.208 1.00 4.33 C ATOM 230 CE1 HIS A 14 -37.539 -7.815 -2.679 1.00 5.34 C ATOM 231 NE2 HIS A 14 -37.075 -7.036 -1.712 1.00 5.13 N ATOM 0 H HIS A 14 -34.489 -5.158 -5.249 1.00 2.38 H new ATOM 0 HA HIS A 14 -36.436 -5.935 -5.939 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -37.301 -3.719 -4.064 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -38.514 -4.654 -4.915 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -36.624 -4.883 -1.664 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -37.731 -8.875 -2.603 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -36.836 -7.334 -0.766 1.00 5.13 H new ATOM 239 N ASN A 15 -37.680 -3.018 -6.815 1.00 2.64 N ATOM 240 CA ASN A 15 -38.255 -2.255 -7.930 1.00 2.83 C ATOM 241 C ASN A 15 -37.821 -0.786 -7.833 1.00 2.48 C ATOM 242 O ASN A 15 -38.653 0.121 -7.764 1.00 2.96 O ATOM 243 CB ASN A 15 -39.792 -2.382 -7.901 1.00 3.64 C ATOM 244 CG ASN A 15 -40.433 -1.799 -9.168 1.00 4.19 C ATOM 245 OD1 ASN A 15 -39.960 -2.030 -10.284 1.00 4.25 O ATOM 246 ND2 ASN A 15 -41.512 -1.047 -8.995 1.00 4.99 N ATOM 0 H ASN A 15 -37.794 -2.569 -5.906 1.00 2.64 H new ATOM 0 HA ASN A 15 -37.892 -2.655 -8.877 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -40.069 -3.432 -7.803 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -40.183 -1.866 -7.024 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -41.982 -0.636 -9.802 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -41.872 -0.880 -8.055 1.00 4.99 H new ATOM 253 N LYS A 16 -36.507 -0.564 -7.826 1.00 2.30 N ATOM 254 CA LYS A 16 -35.926 0.779 -7.739 1.00 2.46 C ATOM 255 C LYS A 16 -34.566 0.799 -8.440 1.00 2.10 C ATOM 256 O LYS A 16 -33.804 -0.172 -8.359 1.00 2.44 O ATOM 257 CB LYS A 16 -35.748 1.188 -6.264 1.00 3.26 C ATOM 258 CG LYS A 16 -36.938 1.993 -5.741 1.00 3.87 C ATOM 259 CD LYS A 16 -36.762 2.336 -4.257 1.00 4.83 C ATOM 260 CE LYS A 16 -37.719 3.444 -3.808 1.00 5.52 C ATOM 261 NZ LYS A 16 -39.151 3.029 -3.913 1.00 6.03 N ATOM 0 H LYS A 16 -35.813 -1.310 -7.880 1.00 2.30 H new ATOM 0 HA LYS A 16 -36.599 1.485 -8.226 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -35.620 0.294 -5.654 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -34.838 1.779 -6.160 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -37.043 2.911 -6.320 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -37.856 1.422 -5.879 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -36.933 1.443 -3.656 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -35.734 2.650 -4.077 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -37.497 3.718 -2.777 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -37.554 4.333 -4.417 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -39.763 3.809 -3.599 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -39.372 2.792 -4.901 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -39.316 2.196 -3.312 1.00 6.03 H new ATOM 275 N LYS A 17 -34.257 1.914 -9.105 1.00 1.88 N ATOM 276 CA LYS A 17 -32.977 2.087 -9.803 1.00 1.62 C ATOM 277 C LYS A 17 -31.923 2.619 -8.825 1.00 1.62 C ATOM 278 O LYS A 17 -32.260 3.215 -7.798 1.00 2.06 O ATOM 279 CB LYS A 17 -33.137 3.058 -10.984 1.00 1.84 C ATOM 280 CG LYS A 17 -33.890 2.409 -12.149 1.00 2.30 C ATOM 281 CD LYS A 17 -32.984 1.462 -12.941 1.00 2.75 C ATOM 282 CE LYS A 17 -33.648 0.997 -14.241 1.00 3.27 C ATOM 283 NZ LYS A 17 -32.655 0.378 -15.162 1.00 3.75 N ATOM 0 H LYS A 17 -34.880 2.718 -9.176 1.00 1.88 H new ATOM 0 HA LYS A 17 -32.653 1.121 -10.190 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -33.673 3.948 -10.654 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -32.154 3.385 -11.323 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -34.749 1.858 -11.767 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -34.277 3.184 -12.811 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -32.045 1.965 -13.172 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -32.739 0.595 -12.327 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -34.435 0.278 -14.013 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -34.124 1.845 -14.733 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -33.147 -0.018 -15.988 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -31.976 1.100 -15.477 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -32.147 -0.381 -14.665 1.00 3.75 H new ATOM 297 N ALA A 18 -30.652 2.394 -9.149 1.00 1.43 N ATOM 298 CA ALA A 18 -29.535 2.836 -8.314 1.00 1.61 C ATOM 299 C ALA A 18 -28.738 3.932 -9.023 1.00 1.86 C ATOM 300 O ALA A 18 -28.186 3.713 -10.105 1.00 2.10 O ATOM 301 CB ALA A 18 -28.631 1.645 -7.995 1.00 1.58 C ATOM 0 H ALA A 18 -30.366 1.901 -9.995 1.00 1.43 H new ATOM 0 HA ALA A 18 -29.928 3.247 -7.384 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -27.799 1.976 -7.373 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -29.204 0.886 -7.462 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -28.245 1.223 -8.923 1.00 1.58 H new ATOM 307 N SER A 19 -28.682 5.106 -8.401 1.00 2.24 N ATOM 308 CA SER A 19 -27.953 6.256 -8.947 1.00 2.71 C ATOM 309 C SER A 19 -27.152 6.959 -7.838 1.00 2.85 C ATOM 310 O SER A 19 -26.997 8.183 -7.856 1.00 3.33 O ATOM 311 CB SER A 19 -28.934 7.244 -9.601 1.00 3.28 C ATOM 312 OG SER A 19 -29.864 6.571 -10.447 1.00 3.62 O ATOM 0 H SER A 19 -29.137 5.291 -7.507 1.00 2.24 H new ATOM 0 HA SER A 19 -27.256 5.898 -9.705 1.00 2.71 H new ATOM 0 HB2 SER A 19 -29.473 7.790 -8.827 1.00 3.28 H new ATOM 0 HB3 SER A 19 -28.378 7.980 -10.182 1.00 3.28 H new ATOM 0 HG SER A 19 -30.475 7.225 -10.847 1.00 3.62 H new ATOM 318 N SER A 20 -26.643 6.176 -6.883 1.00 2.92 N ATOM 319 CA SER A 20 -25.850 6.697 -5.761 1.00 3.46 C ATOM 320 C SER A 20 -24.358 6.586 -6.095 1.00 3.36 C ATOM 321 O SER A 20 -23.891 5.519 -6.503 1.00 3.74 O ATOM 322 CB SER A 20 -26.178 5.920 -4.469 1.00 4.13 C ATOM 323 OG SER A 20 -26.839 4.686 -4.750 1.00 4.31 O ATOM 0 H SER A 20 -26.768 5.164 -6.864 1.00 2.92 H new ATOM 0 HA SER A 20 -26.099 7.746 -5.599 1.00 3.46 H new ATOM 0 HB2 SER A 20 -25.258 5.723 -3.919 1.00 4.13 H new ATOM 0 HB3 SER A 20 -26.809 6.533 -3.826 1.00 4.13 H new ATOM 0 HG SER A 20 -27.030 4.219 -3.910 1.00 4.31 H new ATOM 329 N ARG A 21 -23.622 7.697 -5.932 1.00 3.28 N ATOM 330 CA ARG A 21 -22.175 7.768 -6.221 1.00 3.37 C ATOM 331 C ARG A 21 -21.933 7.769 -7.737 1.00 2.30 C ATOM 332 O ARG A 21 -21.396 8.732 -8.290 1.00 2.78 O ATOM 333 CB ARG A 21 -21.406 6.618 -5.537 1.00 4.44 C ATOM 334 CG ARG A 21 -21.836 6.430 -4.076 1.00 5.18 C ATOM 335 CD ARG A 21 -20.853 5.543 -3.308 1.00 5.89 C ATOM 336 NE ARG A 21 -21.501 4.971 -2.126 1.00 6.25 N ATOM 337 CZ ARG A 21 -20.846 4.778 -0.990 1.00 6.92 C ATOM 338 NH1 ARG A 21 -20.016 3.750 -0.867 1.00 7.30 N ATOM 339 NH2 ARG A 21 -21.009 5.622 0.011 1.00 7.43 N ATOM 0 H ARG A 21 -24.013 8.577 -5.595 1.00 3.28 H new ATOM 0 HA ARG A 21 -21.793 8.703 -5.810 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -21.574 5.692 -6.087 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -20.336 6.823 -5.577 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -21.906 7.403 -3.589 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -22.830 5.985 -4.043 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -20.491 4.744 -3.955 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -19.984 6.128 -3.007 1.00 5.89 H new ATOM 0 HE ARG A 21 -22.486 4.713 -2.178 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -19.881 3.107 -1.647 1.00 7.30 H new ATOM 0 HH12 ARG A 21 -19.513 3.603 0.008 1.00 7.30 H new ATOM 0 HH21 ARG A 21 -21.637 6.419 -0.091 1.00 7.43 H new ATOM 0 HH22 ARG A 21 -20.507 5.477 0.887 1.00 7.43 H new ATOM 353 N SER A 22 -22.391 6.700 -8.391 1.00 1.32 N ATOM 354 CA SER A 22 -22.313 6.516 -9.836 1.00 0.74 C ATOM 355 C SER A 22 -20.876 6.426 -10.374 1.00 0.68 C ATOM 356 O SER A 22 -20.084 7.356 -10.237 1.00 1.69 O ATOM 357 CB SER A 22 -23.077 7.641 -10.541 1.00 1.62 C ATOM 358 OG SER A 22 -24.385 7.789 -9.991 1.00 1.86 O ATOM 0 H SER A 22 -22.839 5.918 -7.914 1.00 1.32 H new ATOM 0 HA SER A 22 -22.773 5.552 -10.053 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.528 8.577 -10.441 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.148 7.425 -11.607 1.00 1.62 H new ATOM 0 HG SER A 22 -24.855 8.514 -10.454 1.00 1.86 H new ATOM 364 N TRP A 23 -20.587 5.298 -11.030 1.00 0.69 N ATOM 365 CA TRP A 23 -19.290 5.023 -11.675 1.00 0.41 C ATOM 366 C TRP A 23 -18.105 5.070 -10.699 1.00 0.40 C ATOM 367 O TRP A 23 -17.628 6.139 -10.318 1.00 0.55 O ATOM 368 CB TRP A 23 -19.079 5.975 -12.872 1.00 0.43 C ATOM 369 CG TRP A 23 -19.995 5.634 -14.017 1.00 0.40 C ATOM 370 CD1 TRP A 23 -20.994 6.402 -14.551 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.994 4.396 -14.754 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.600 5.692 -15.555 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.012 4.469 -15.708 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.224 3.238 -14.687 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.269 3.416 -16.581 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.469 2.190 -15.551 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.484 2.275 -16.493 1.00 0.31 C ATOM 0 H TRP A 23 -21.256 4.535 -11.132 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.325 3.997 -12.041 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.257 7.003 -12.556 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.043 5.919 -13.205 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.260 7.400 -14.235 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.384 6.031 -16.112 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.432 3.160 -13.957 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.062 3.485 -17.311 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.866 1.296 -15.493 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.665 1.447 -17.163 1.00 0.31 H new ATOM 388 N HIS A 24 -17.630 3.882 -10.324 1.00 0.37 N ATOM 389 CA HIS A 24 -16.500 3.719 -9.417 1.00 0.45 C ATOM 390 C HIS A 24 -15.465 2.806 -10.082 1.00 0.36 C ATOM 391 O HIS A 24 -15.821 1.757 -10.629 1.00 0.34 O ATOM 392 CB HIS A 24 -16.998 3.102 -8.102 1.00 0.61 C ATOM 393 CG HIS A 24 -16.038 3.255 -6.969 1.00 1.18 C ATOM 394 ND1 HIS A 24 -16.082 4.290 -6.074 1.00 2.08 N ATOM 395 CD2 HIS A 24 -15.005 2.486 -6.573 1.00 1.66 C ATOM 396 CE1 HIS A 24 -15.139 4.170 -5.172 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.453 3.069 -5.446 1.00 2.74 N ATOM 0 H HIS A 24 -18.025 2.998 -10.646 1.00 0.37 H new ATOM 0 HA HIS A 24 -16.039 4.683 -9.200 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.946 3.565 -7.829 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.195 2.042 -8.260 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -16.758 5.053 -6.105 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.668 1.577 -7.050 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -14.954 4.847 -4.351 1.00 2.98 H new ATOM 405 N ASN A 25 -14.194 3.199 -10.032 1.00 0.37 N ATOM 406 CA ASN A 25 -13.110 2.408 -10.627 1.00 0.35 C ATOM 407 C ASN A 25 -12.757 1.246 -9.690 1.00 0.34 C ATOM 408 O ASN A 25 -12.324 1.470 -8.557 1.00 0.55 O ATOM 409 CB ASN A 25 -11.878 3.303 -10.875 1.00 0.44 C ATOM 410 CG ASN A 25 -10.886 2.619 -11.821 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.209 2.337 -12.976 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.679 2.359 -11.338 1.00 1.49 N ATOM 0 H ASN A 25 -13.885 4.062 -9.585 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.435 2.003 -11.585 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.195 4.255 -11.301 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.388 3.525 -9.927 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.979 1.910 -11.929 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.450 2.608 -10.376 1.00 1.49 H new ATOM 419 N VAL A 26 -12.965 0.016 -10.156 1.00 0.22 N ATOM 420 CA VAL A 26 -12.692 -1.182 -9.353 1.00 0.21 C ATOM 421 C VAL A 26 -11.904 -2.211 -10.172 1.00 0.18 C ATOM 422 O VAL A 26 -11.935 -2.201 -11.404 1.00 0.23 O ATOM 423 CB VAL A 26 -14.026 -1.769 -8.843 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.723 -2.613 -9.915 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.826 -2.576 -7.558 1.00 0.31 C ATOM 0 H VAL A 26 -13.324 -0.181 -11.090 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.078 -0.913 -8.493 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.678 -0.926 -8.613 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.658 -3.008 -9.517 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.933 -1.993 -10.786 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.075 -3.440 -10.206 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.784 -2.975 -7.226 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.137 -3.399 -7.749 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.414 -1.930 -6.783 1.00 0.31 H new ATOM 435 N TYR A 27 -11.211 -3.101 -9.470 1.00 0.16 N ATOM 436 CA TYR A 27 -10.412 -4.159 -10.098 1.00 0.16 C ATOM 437 C TYR A 27 -11.199 -5.466 -10.041 1.00 0.19 C ATOM 438 O TYR A 27 -11.486 -5.983 -8.958 1.00 0.34 O ATOM 439 CB TYR A 27 -9.070 -4.285 -9.365 1.00 0.17 C ATOM 440 CG TYR A 27 -8.003 -5.011 -10.159 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.166 -4.311 -11.012 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.870 -6.388 -10.047 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.206 -4.983 -11.749 1.00 0.33 C ATOM 444 CE2 TYR A 27 -6.906 -7.058 -10.782 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.023 -6.322 -11.586 1.00 0.29 C ATOM 446 OH TYR A 27 -5.129 -7.018 -12.376 1.00 0.37 O ATOM 0 H TYR A 27 -11.184 -3.113 -8.450 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.207 -3.919 -11.141 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.708 -3.287 -9.116 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.229 -4.811 -8.423 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.262 -3.239 -11.102 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.521 -6.939 -9.384 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.598 -4.441 -12.458 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.835 -8.135 -10.737 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.130 -7.963 -12.117 1.00 0.37 H new ATOM 456 N CYS A 28 -11.573 -5.981 -11.212 1.00 0.16 N ATOM 457 CA CYS A 28 -12.360 -7.215 -11.312 1.00 0.19 C ATOM 458 C CYS A 28 -11.460 -8.430 -11.543 1.00 0.19 C ATOM 459 O CYS A 28 -10.495 -8.373 -12.312 1.00 0.23 O ATOM 460 CB CYS A 28 -13.379 -7.086 -12.450 1.00 0.23 C ATOM 461 SG CYS A 28 -14.570 -5.765 -12.153 1.00 0.34 S ATOM 0 H CYS A 28 -11.343 -5.561 -12.112 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.886 -7.365 -10.369 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.854 -6.895 -13.386 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -13.909 -8.031 -12.569 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.396 -6.128 -11.217 1.00 0.34 H new ATOM 467 N VAL A 29 -11.796 -9.526 -10.867 1.00 0.21 N ATOM 468 CA VAL A 29 -11.059 -10.788 -10.960 1.00 0.24 C ATOM 469 C VAL A 29 -12.057 -11.939 -11.081 1.00 0.26 C ATOM 470 O VAL A 29 -13.085 -11.935 -10.402 1.00 0.38 O ATOM 471 CB VAL A 29 -10.195 -10.973 -9.700 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.407 -12.286 -9.749 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.243 -9.794 -9.521 1.00 0.33 C ATOM 0 H VAL A 29 -12.594 -9.566 -10.233 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.410 -10.775 -11.836 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.868 -11.015 -8.844 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.808 -12.385 -8.844 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.100 -13.124 -9.818 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.751 -12.285 -10.620 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.642 -9.945 -8.625 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.588 -9.720 -10.389 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.818 -8.874 -9.421 1.00 0.33 H new ATOM 483 N ILE A 30 -11.755 -12.925 -11.929 1.00 0.28 N ATOM 484 CA ILE A 30 -12.633 -14.088 -12.121 1.00 0.32 C ATOM 485 C ILE A 30 -11.913 -15.354 -11.656 1.00 0.35 C ATOM 486 O ILE A 30 -10.865 -15.713 -12.199 1.00 0.44 O ATOM 487 CB ILE A 30 -13.042 -14.229 -13.596 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.419 -12.865 -14.187 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.213 -15.207 -13.737 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.005 -13.001 -15.592 1.00 0.57 C ATOM 0 H ILE A 30 -10.907 -12.944 -12.496 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.537 -13.943 -11.530 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.189 -14.622 -14.149 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.143 -12.374 -13.537 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.536 -12.226 -14.221 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.489 -15.295 -14.788 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.918 -16.185 -13.357 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.066 -14.838 -13.167 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.260 -12.014 -15.977 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.271 -13.468 -16.249 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.903 -13.618 -15.554 1.00 0.57 H new ATOM 502 N ASN A 31 -12.477 -16.027 -10.651 1.00 0.46 N ATOM 503 CA ASN A 31 -11.886 -17.260 -10.104 1.00 0.58 C ATOM 504 C ASN A 31 -12.797 -18.464 -10.377 1.00 0.71 C ATOM 505 O ASN A 31 -12.940 -19.350 -9.533 1.00 1.20 O ATOM 506 CB ASN A 31 -11.634 -17.094 -8.589 1.00 0.73 C ATOM 507 CG ASN A 31 -10.369 -17.847 -8.164 1.00 0.93 C ATOM 508 OD1 ASN A 31 -9.310 -17.245 -7.988 1.00 1.27 O ATOM 509 ND2 ASN A 31 -10.471 -19.158 -8.000 1.00 1.47 N ATOM 0 H ASN A 31 -13.344 -15.742 -10.196 1.00 0.46 H new ATOM 0 HA ASN A 31 -10.932 -17.443 -10.599 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.532 -16.036 -8.346 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.491 -17.469 -8.030 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -9.655 -19.702 -7.719 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -11.365 -19.623 -8.155 1.00 1.47 H new ATOM 516 N ASN A 32 -13.399 -18.489 -11.578 1.00 0.85 N ATOM 517 CA ASN A 32 -14.300 -19.576 -12.019 1.00 1.00 C ATOM 518 C ASN A 32 -15.617 -19.578 -11.226 1.00 1.00 C ATOM 519 O ASN A 32 -15.642 -19.909 -10.040 1.00 1.97 O ATOM 520 CB ASN A 32 -13.597 -20.946 -11.907 1.00 1.24 C ATOM 521 CG ASN A 32 -14.368 -22.024 -12.677 1.00 1.73 C ATOM 522 OD1 ASN A 32 -14.962 -22.924 -12.085 1.00 2.06 O ATOM 523 ND2 ASN A 32 -14.363 -21.936 -13.999 1.00 2.52 N ATOM 0 H ASN A 32 -13.276 -17.755 -12.275 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.545 -19.394 -13.065 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.582 -20.871 -12.298 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -13.515 -21.232 -10.858 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -14.862 -22.628 -14.558 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -13.860 -21.176 -14.458 1.00 2.52 H new ATOM 530 N GLN A 33 -16.709 -19.210 -11.903 1.00 0.75 N ATOM 531 CA GLN A 33 -18.067 -19.164 -11.318 1.00 0.67 C ATOM 532 C GLN A 33 -18.236 -18.034 -10.280 1.00 0.56 C ATOM 533 O GLN A 33 -19.374 -17.589 -10.036 1.00 0.71 O ATOM 534 CB GLN A 33 -18.453 -20.527 -10.705 1.00 0.83 C ATOM 535 CG GLN A 33 -19.789 -21.033 -11.269 1.00 1.46 C ATOM 536 CD GLN A 33 -19.574 -21.890 -12.522 1.00 1.85 C ATOM 537 OE1 GLN A 33 -18.679 -21.469 -13.408 1.00 2.11 O flip ATOM 538 NE2 GLN A 33 -20.212 -22.931 -12.682 1.00 2.67 N flip ATOM 0 H GLN A 33 -16.682 -18.931 -12.884 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.748 -18.942 -12.140 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -17.669 -21.256 -10.911 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -18.525 -20.434 -9.621 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.309 -21.618 -10.510 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -20.429 -20.185 -11.511 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.892 -23.225 -11.981 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -20.060 -23.499 -13.515 1.00 2.67 H new ATOM 547 N GLU A 34 -17.118 -17.587 -9.673 1.00 0.53 N ATOM 548 CA GLU A 34 -17.122 -16.524 -8.668 1.00 0.49 C ATOM 549 C GLU A 34 -16.161 -15.414 -9.096 1.00 0.45 C ATOM 550 O GLU A 34 -15.005 -15.681 -9.442 1.00 0.64 O ATOM 551 CB GLU A 34 -16.702 -17.090 -7.294 1.00 0.61 C ATOM 552 CG GLU A 34 -17.870 -17.085 -6.297 1.00 1.25 C ATOM 553 CD GLU A 34 -18.738 -18.331 -6.438 1.00 1.42 C ATOM 554 OE1 GLU A 34 -18.224 -19.384 -6.857 1.00 1.89 O ATOM 555 OE2 GLU A 34 -19.939 -18.265 -6.115 1.00 1.79 O ATOM 0 H GLU A 34 -16.189 -17.959 -9.872 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.129 -16.115 -8.582 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.333 -18.108 -7.417 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -15.879 -16.499 -6.893 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -17.481 -17.026 -5.281 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.481 -16.196 -6.456 1.00 1.25 H new ATOM 562 N MET A 35 -16.633 -14.170 -9.049 1.00 0.36 N ATOM 563 CA MET A 35 -15.816 -13.004 -9.398 1.00 0.35 C ATOM 564 C MET A 35 -15.561 -12.191 -8.128 1.00 0.32 C ATOM 565 O MET A 35 -16.414 -12.140 -7.237 1.00 0.42 O ATOM 566 CB MET A 35 -16.499 -12.148 -10.479 1.00 0.41 C ATOM 567 CG MET A 35 -17.742 -11.419 -9.958 1.00 0.43 C ATOM 568 SD MET A 35 -18.545 -10.417 -11.227 1.00 0.60 S ATOM 569 CE MET A 35 -17.315 -9.125 -11.496 1.00 1.25 C ATOM 0 H MET A 35 -17.587 -13.940 -8.770 1.00 0.36 H new ATOM 0 HA MET A 35 -14.866 -13.337 -9.815 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.787 -11.416 -10.861 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.781 -12.785 -11.317 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.453 -12.151 -9.575 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.459 -10.780 -9.121 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.813 -8.209 -11.813 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.772 -8.941 -10.569 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.615 -9.444 -12.269 1.00 1.25 H new ATOM 579 N GLY A 36 -14.386 -11.578 -8.040 1.00 0.27 N ATOM 580 CA GLY A 36 -14.000 -10.784 -6.868 1.00 0.29 C ATOM 581 C GLY A 36 -13.771 -9.318 -7.232 1.00 0.25 C ATOM 582 O GLY A 36 -13.181 -9.010 -8.273 1.00 0.28 O ATOM 0 H GLY A 36 -13.675 -11.614 -8.771 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.779 -10.853 -6.108 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.091 -11.197 -6.431 1.00 0.29 H new ATOM 586 N PHE A 37 -14.232 -8.422 -6.356 1.00 0.24 N ATOM 587 CA PHE A 37 -14.084 -6.974 -6.536 1.00 0.25 C ATOM 588 C PHE A 37 -13.013 -6.452 -5.582 1.00 0.25 C ATOM 589 O PHE A 37 -13.246 -6.345 -4.375 1.00 0.40 O ATOM 590 CB PHE A 37 -15.416 -6.276 -6.253 1.00 0.30 C ATOM 591 CG PHE A 37 -16.456 -6.520 -7.321 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.364 -5.880 -8.548 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.507 -7.390 -7.075 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.318 -6.112 -9.524 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.462 -7.619 -8.052 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.364 -6.957 -9.285 1.00 0.33 C ATOM 0 H PHE A 37 -14.720 -8.680 -5.499 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.787 -6.766 -7.564 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.802 -6.620 -5.294 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.244 -5.204 -6.161 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.548 -5.200 -8.742 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.581 -7.890 -6.121 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.234 -5.621 -10.482 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.277 -8.303 -7.866 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.115 -7.115 -10.045 1.00 0.33 H new ATOM 606 N TYR A 38 -11.842 -6.144 -6.132 1.00 0.20 N ATOM 607 CA TYR A 38 -10.706 -5.644 -5.352 1.00 0.21 C ATOM 608 C TYR A 38 -10.371 -4.194 -5.740 1.00 0.21 C ATOM 609 O TYR A 38 -11.036 -3.598 -6.591 1.00 0.23 O ATOM 610 CB TYR A 38 -9.500 -6.563 -5.580 1.00 0.23 C ATOM 611 CG TYR A 38 -9.726 -7.970 -5.070 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.644 -8.245 -3.716 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.017 -8.985 -5.962 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.852 -9.535 -3.259 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.226 -10.275 -5.506 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.139 -10.532 -4.120 1.00 0.44 C ATOM 617 OH TYR A 38 -10.346 -11.826 -3.699 1.00 0.55 O ATOM 0 H TYR A 38 -11.650 -6.233 -7.130 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.966 -5.647 -4.294 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.275 -6.600 -6.646 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.627 -6.138 -5.084 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.418 -7.454 -3.017 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.082 -8.771 -7.019 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.784 -9.745 -2.202 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.452 -11.072 -6.199 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.541 -12.395 -4.473 1.00 0.55 H new ATOM 627 N LYS A 39 -9.341 -3.631 -5.103 1.00 0.25 N ATOM 628 CA LYS A 39 -8.916 -2.248 -5.365 1.00 0.29 C ATOM 629 C LYS A 39 -7.967 -2.178 -6.566 1.00 0.28 C ATOM 630 O LYS A 39 -8.103 -1.302 -7.417 1.00 0.33 O ATOM 631 CB LYS A 39 -8.239 -1.664 -4.116 1.00 0.36 C ATOM 632 CG LYS A 39 -8.104 -0.140 -4.211 1.00 0.70 C ATOM 633 CD LYS A 39 -7.901 0.497 -2.830 1.00 1.15 C ATOM 634 CE LYS A 39 -6.416 0.612 -2.472 1.00 1.82 C ATOM 635 NZ LYS A 39 -5.702 1.569 -3.367 1.00 2.51 N ATOM 0 H LYS A 39 -8.782 -4.112 -4.398 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.801 -1.657 -5.603 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.819 -1.924 -3.231 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.252 -2.111 -3.993 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.262 0.112 -4.856 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.997 0.277 -4.677 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.357 1.487 -2.815 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -8.412 -0.100 -2.075 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -6.316 0.939 -1.437 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -5.948 -0.370 -2.543 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -4.856 1.932 -2.883 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -5.419 1.082 -4.241 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -6.333 2.362 -3.602 1.00 2.51 H new ATOM 649 N ASP A 40 -7.007 -3.098 -6.620 1.00 0.28 N ATOM 650 CA ASP A 40 -6.021 -3.159 -7.705 1.00 0.32 C ATOM 651 C ASP A 40 -5.432 -4.572 -7.830 1.00 0.33 C ATOM 652 O ASP A 40 -5.895 -5.520 -7.185 1.00 0.32 O ATOM 653 CB ASP A 40 -4.906 -2.107 -7.486 1.00 0.38 C ATOM 654 CG ASP A 40 -3.810 -2.601 -6.531 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.116 -2.903 -5.362 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.643 -2.694 -6.962 1.00 0.94 O ATOM 0 H ASP A 40 -6.888 -3.824 -5.914 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.527 -2.926 -8.642 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.458 -1.852 -8.446 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.346 -1.193 -7.087 1.00 0.38 H new ATOM 661 N ALA A 41 -4.395 -4.696 -8.662 1.00 0.40 N ATOM 662 CA ALA A 41 -3.707 -5.973 -8.895 1.00 0.45 C ATOM 663 C ALA A 41 -3.048 -6.502 -7.614 1.00 0.45 C ATOM 664 O ALA A 41 -3.087 -7.702 -7.334 1.00 0.47 O ATOM 665 CB ALA A 41 -2.653 -5.797 -9.992 1.00 0.55 C ATOM 0 H ALA A 41 -4.007 -3.917 -9.194 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.450 -6.705 -9.212 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.144 -6.746 -10.163 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.137 -5.474 -10.913 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.926 -5.046 -9.681 1.00 0.55 H new ATOM 671 N LYS A 42 -2.457 -5.596 -6.829 1.00 0.46 N ATOM 672 CA LYS A 42 -1.800 -5.964 -5.569 1.00 0.48 C ATOM 673 C LYS A 42 -2.841 -6.396 -4.530 1.00 0.43 C ATOM 674 O LYS A 42 -2.657 -7.396 -3.833 1.00 0.47 O ATOM 675 CB LYS A 42 -0.980 -4.781 -5.038 1.00 0.54 C ATOM 676 CG LYS A 42 0.091 -4.337 -6.039 1.00 0.77 C ATOM 677 CD LYS A 42 1.491 -4.418 -5.423 1.00 1.12 C ATOM 678 CE LYS A 42 2.579 -4.454 -6.496 1.00 1.96 C ATOM 679 NZ LYS A 42 2.384 -3.383 -7.509 1.00 2.76 N ATOM 0 H LYS A 42 -2.420 -4.600 -7.044 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.129 -6.802 -5.757 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.645 -3.945 -4.823 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.505 -5.061 -4.098 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.045 -4.966 -6.928 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.109 -3.315 -6.361 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.652 -3.560 -4.770 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.564 -5.310 -4.801 1.00 1.12 H new ATOM 0 HE2 LYS A 42 3.557 -4.339 -6.028 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.574 -5.427 -6.988 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 3.249 -3.281 -8.077 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 1.589 -3.634 -8.131 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 2.177 -2.484 -7.028 1.00 2.76 H new ATOM 693 N SER A 43 -3.946 -5.646 -4.445 1.00 0.38 N ATOM 694 CA SER A 43 -5.031 -5.948 -3.505 1.00 0.38 C ATOM 695 C SER A 43 -5.689 -7.301 -3.837 1.00 0.39 C ATOM 696 O SER A 43 -6.123 -8.029 -2.939 1.00 0.45 O ATOM 697 CB SER A 43 -6.070 -4.818 -3.540 1.00 0.37 C ATOM 698 OG SER A 43 -6.827 -4.856 -4.734 1.00 1.04 O ATOM 0 H SER A 43 -4.112 -4.820 -5.020 1.00 0.38 H new ATOM 0 HA SER A 43 -4.615 -6.021 -2.500 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.736 -4.906 -2.681 1.00 0.37 H new ATOM 0 HB3 SER A 43 -5.567 -3.855 -3.456 1.00 0.37 H new ATOM 0 HG SER A 43 -6.281 -5.232 -5.456 1.00 1.04 H new ATOM 704 N ALA A 44 -5.749 -7.628 -5.137 1.00 0.37 N ATOM 705 CA ALA A 44 -6.345 -8.884 -5.614 1.00 0.43 C ATOM 706 C ALA A 44 -5.439 -10.075 -5.293 1.00 0.51 C ATOM 707 O ALA A 44 -5.908 -11.114 -4.818 1.00 0.59 O ATOM 708 CB ALA A 44 -6.590 -8.806 -7.126 1.00 0.43 C ATOM 0 H ALA A 44 -5.388 -7.033 -5.883 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.296 -9.028 -5.101 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.032 -9.741 -7.472 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.269 -7.982 -7.342 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.643 -8.640 -7.640 1.00 0.43 H new ATOM 714 N ALA A 45 -4.138 -9.918 -5.557 1.00 0.54 N ATOM 715 CA ALA A 45 -3.149 -10.976 -5.301 1.00 0.64 C ATOM 716 C ALA A 45 -2.996 -11.237 -3.798 1.00 0.68 C ATOM 717 O ALA A 45 -2.866 -12.383 -3.369 1.00 0.76 O ATOM 718 CB ALA A 45 -1.799 -10.581 -5.907 1.00 0.69 C ATOM 0 H ALA A 45 -3.741 -9.064 -5.950 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.501 -11.895 -5.769 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.070 -11.368 -5.715 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.909 -10.443 -6.983 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.456 -9.650 -5.455 1.00 0.69 H new ATOM 724 N SER A 46 -3.017 -10.163 -3.004 1.00 0.65 N ATOM 725 CA SER A 46 -2.886 -10.256 -1.548 1.00 0.73 C ATOM 726 C SER A 46 -4.195 -10.761 -0.915 1.00 0.74 C ATOM 727 O SER A 46 -4.172 -11.617 -0.028 1.00 0.84 O ATOM 728 CB SER A 46 -2.503 -8.874 -0.980 1.00 0.75 C ATOM 729 OG SER A 46 -1.688 -9.006 0.182 1.00 1.21 O ATOM 0 H SER A 46 -3.125 -9.210 -3.350 1.00 0.65 H new ATOM 0 HA SER A 46 -2.101 -10.972 -1.305 1.00 0.73 H new ATOM 0 HB2 SER A 46 -1.970 -8.300 -1.739 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.406 -8.315 -0.733 1.00 0.75 H new ATOM 0 HG SER A 46 -1.457 -8.116 0.522 1.00 1.21 H new ATOM 735 N GLY A 47 -5.332 -10.234 -1.379 1.00 0.70 N ATOM 736 CA GLY A 47 -6.648 -10.627 -0.870 1.00 0.74 C ATOM 737 C GLY A 47 -7.136 -9.642 0.191 1.00 0.75 C ATOM 738 O GLY A 47 -7.341 -10.015 1.349 1.00 0.88 O ATOM 0 H GLY A 47 -5.366 -9.527 -2.114 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.363 -10.667 -1.691 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.594 -11.629 -0.445 1.00 0.74 H new ATOM 742 N ILE A 48 -7.319 -8.386 -0.215 1.00 0.67 N ATOM 743 CA ILE A 48 -7.785 -7.322 0.682 1.00 0.72 C ATOM 744 C ILE A 48 -9.266 -7.023 0.392 1.00 0.75 C ATOM 745 O ILE A 48 -9.634 -6.774 -0.755 1.00 0.75 O ATOM 746 CB ILE A 48 -6.930 -6.056 0.481 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.452 -6.423 0.270 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.064 -5.113 1.680 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.571 -5.180 0.152 1.00 0.97 C ATOM 0 H ILE A 48 -7.150 -8.075 -1.172 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.685 -7.646 1.718 1.00 0.72 H new ATOM 0 HB ILE A 48 -7.296 -5.546 -0.410 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.107 -7.036 1.103 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.352 -7.026 -0.632 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.452 -4.226 1.516 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.107 -4.818 1.796 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -6.729 -5.623 2.583 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.534 -5.482 0.004 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.899 -4.581 -0.697 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.650 -4.590 1.065 1.00 0.97 H new ATOM 761 N PRO A 49 -10.141 -7.053 1.423 1.00 0.84 N ATOM 762 CA PRO A 49 -11.591 -6.796 1.252 1.00 0.93 C ATOM 763 C PRO A 49 -11.897 -5.311 0.982 1.00 0.93 C ATOM 764 O PRO A 49 -12.190 -4.542 1.900 1.00 1.08 O ATOM 765 CB PRO A 49 -12.204 -7.270 2.575 1.00 1.07 C ATOM 766 CG PRO A 49 -11.102 -7.170 3.580 1.00 1.06 C ATOM 767 CD PRO A 49 -9.801 -7.349 2.830 1.00 0.92 C ATOM 0 HA PRO A 49 -12.000 -7.316 0.386 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.053 -6.649 2.860 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.571 -8.293 2.494 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.127 -6.204 4.084 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.212 -7.934 4.350 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.032 -6.673 3.203 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.415 -8.363 2.940 1.00 0.92 H new ATOM 775 N TYR A 50 -11.815 -4.921 -0.292 1.00 0.87 N ATOM 776 CA TYR A 50 -12.066 -3.534 -0.723 1.00 0.91 C ATOM 777 C TYR A 50 -13.557 -3.178 -0.619 1.00 1.12 C ATOM 778 O TYR A 50 -13.909 -2.041 -0.304 1.00 1.91 O ATOM 779 CB TYR A 50 -11.581 -3.346 -2.167 1.00 0.92 C ATOM 780 CG TYR A 50 -11.699 -1.917 -2.670 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.166 -0.866 -1.934 1.00 1.02 C ATOM 782 CD2 TYR A 50 -12.344 -1.653 -3.871 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.278 0.434 -2.398 1.00 1.13 C ATOM 784 CE2 TYR A 50 -12.453 -0.353 -4.330 1.00 1.24 C ATOM 785 CZ TYR A 50 -11.920 0.686 -3.593 1.00 1.17 C ATOM 786 OH TYR A 50 -12.029 1.977 -4.055 1.00 1.34 O ATOM 0 H TYR A 50 -11.574 -5.552 -1.056 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.515 -2.866 -0.062 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -10.540 -3.661 -2.235 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.156 -4.001 -2.822 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.664 -1.063 -0.999 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -12.762 -2.465 -4.448 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.863 1.250 -1.825 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -12.955 -0.150 -5.265 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.900 2.097 -4.487 1.00 1.34 H new ATOM 796 N HIS A 51 -14.418 -4.159 -0.881 1.00 1.28 N ATOM 797 CA HIS A 51 -15.876 -3.988 -0.824 1.00 1.53 C ATOM 798 C HIS A 51 -16.458 -4.918 0.245 1.00 1.61 C ATOM 799 O HIS A 51 -15.735 -5.726 0.837 1.00 2.07 O ATOM 800 CB HIS A 51 -16.492 -4.322 -2.203 1.00 2.01 C ATOM 801 CG HIS A 51 -16.791 -3.114 -3.045 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.024 -2.871 -3.592 1.00 3.19 N ATOM 803 CD2 HIS A 51 -16.018 -2.075 -3.449 1.00 2.89 C ATOM 804 CE1 HIS A 51 -18.021 -1.764 -4.290 1.00 3.87 C ATOM 805 NE2 HIS A 51 -16.806 -1.244 -4.227 1.00 3.74 N ATOM 0 H HIS A 51 -14.127 -5.101 -1.141 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.112 -2.955 -0.568 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.807 -4.972 -2.748 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.413 -4.884 -2.052 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -14.976 -1.923 -3.207 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -18.863 -1.348 -4.824 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -16.502 -0.379 -4.675 1.00 3.74 H new ATOM 813 N SER A 52 -17.767 -4.815 0.475 1.00 1.60 N ATOM 814 CA SER A 52 -18.455 -5.670 1.456 1.00 1.96 C ATOM 815 C SER A 52 -18.658 -7.058 0.846 1.00 1.85 C ATOM 816 O SER A 52 -18.123 -8.058 1.337 1.00 2.45 O ATOM 817 CB SER A 52 -19.807 -5.054 1.867 1.00 2.44 C ATOM 818 OG SER A 52 -20.312 -4.173 0.865 1.00 2.65 O ATOM 0 H SER A 52 -18.376 -4.150 -0.002 1.00 1.60 H new ATOM 0 HA SER A 52 -17.844 -5.752 2.355 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.529 -5.850 2.049 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.689 -4.510 2.804 1.00 2.44 H new ATOM 0 HG SER A 52 -21.004 -4.632 0.345 1.00 2.65 H new ATOM 824 N GLU A 53 -19.409 -7.098 -0.254 1.00 1.45 N ATOM 825 CA GLU A 53 -19.675 -8.331 -0.989 1.00 1.37 C ATOM 826 C GLU A 53 -18.572 -8.517 -2.031 1.00 1.08 C ATOM 827 O GLU A 53 -18.792 -8.322 -3.231 1.00 1.24 O ATOM 828 CB GLU A 53 -21.051 -8.258 -1.672 1.00 1.73 C ATOM 829 CG GLU A 53 -22.138 -7.735 -0.722 1.00 2.39 C ATOM 830 CD GLU A 53 -22.414 -6.256 -0.976 1.00 2.88 C ATOM 831 OE1 GLU A 53 -21.449 -5.468 -1.050 1.00 3.23 O ATOM 832 OE2 GLU A 53 -23.594 -5.878 -1.114 1.00 3.46 O ATOM 0 H GLU A 53 -19.851 -6.273 -0.660 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.685 -9.179 -0.304 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.989 -7.608 -2.544 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.330 -9.248 -2.032 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -23.054 -8.309 -0.859 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.824 -7.879 0.312 1.00 2.39 H new ATOM 839 N VAL A 54 -17.374 -8.864 -1.553 1.00 0.84 N ATOM 840 CA VAL A 54 -16.200 -9.054 -2.416 1.00 0.66 C ATOM 841 C VAL A 54 -16.429 -10.184 -3.428 1.00 0.55 C ATOM 842 O VAL A 54 -16.241 -9.977 -4.624 1.00 0.49 O ATOM 843 CB VAL A 54 -14.927 -9.333 -1.581 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.714 -8.640 -2.207 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.100 -8.892 -0.125 1.00 1.34 C ATOM 0 H VAL A 54 -17.189 -9.021 -0.562 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.052 -8.125 -2.967 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.760 -10.410 -1.584 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.827 -8.846 -1.607 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.563 -9.015 -3.219 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.887 -7.564 -2.241 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.186 -9.104 0.430 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.306 -7.822 -0.091 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.931 -9.436 0.324 1.00 1.34 H new ATOM 855 N PRO A 55 -16.846 -11.389 -2.968 1.00 0.62 N ATOM 856 CA PRO A 55 -17.094 -12.530 -3.853 1.00 0.59 C ATOM 857 C PRO A 55 -18.537 -12.540 -4.371 1.00 0.58 C ATOM 858 O PRO A 55 -19.483 -12.652 -3.588 1.00 0.83 O ATOM 859 CB PRO A 55 -16.822 -13.738 -2.955 1.00 0.76 C ATOM 860 CG PRO A 55 -17.059 -13.266 -1.549 1.00 0.87 C ATOM 861 CD PRO A 55 -17.113 -11.751 -1.565 1.00 0.83 C ATOM 0 HA PRO A 55 -16.471 -12.512 -4.747 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.483 -14.568 -3.205 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.800 -14.096 -3.080 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.992 -13.676 -1.162 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.261 -13.612 -0.892 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.086 -11.385 -1.239 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.369 -11.320 -0.895 1.00 0.83 H new ATOM 869 N VAL A 56 -18.693 -12.429 -5.688 1.00 0.41 N ATOM 870 CA VAL A 56 -20.009 -12.434 -6.334 1.00 0.43 C ATOM 871 C VAL A 56 -20.097 -13.638 -7.276 1.00 0.42 C ATOM 872 O VAL A 56 -19.185 -13.883 -8.072 1.00 0.43 O ATOM 873 CB VAL A 56 -20.226 -11.116 -7.097 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.501 -11.170 -7.940 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.294 -9.938 -6.122 1.00 0.63 C ATOM 0 H VAL A 56 -17.914 -12.333 -6.339 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.793 -12.517 -5.582 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.378 -10.975 -7.767 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.628 -10.225 -8.468 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.425 -11.982 -8.663 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.360 -11.341 -7.291 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.448 -9.013 -6.679 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.122 -10.087 -5.429 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.360 -9.874 -5.563 1.00 0.63 H new ATOM 885 N SER A 57 -21.184 -14.395 -7.169 1.00 0.47 N ATOM 886 CA SER A 57 -21.401 -15.584 -7.977 1.00 0.48 C ATOM 887 C SER A 57 -21.843 -15.217 -9.397 1.00 0.46 C ATOM 888 O SER A 57 -22.967 -14.760 -9.619 1.00 0.59 O ATOM 889 CB SER A 57 -22.455 -16.442 -7.298 1.00 0.61 C ATOM 890 OG SER A 57 -22.050 -16.791 -5.976 1.00 0.91 O ATOM 0 H SER A 57 -21.942 -14.198 -6.515 1.00 0.47 H new ATOM 0 HA SER A 57 -20.466 -16.137 -8.062 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.402 -15.903 -7.263 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.625 -17.347 -7.882 1.00 0.61 H new ATOM 0 HG SER A 57 -21.101 -17.035 -5.978 1.00 0.91 H new ATOM 896 N LEU A 58 -20.948 -15.442 -10.353 1.00 0.44 N ATOM 897 CA LEU A 58 -21.204 -15.169 -11.770 1.00 0.49 C ATOM 898 C LEU A 58 -21.853 -16.394 -12.431 1.00 0.60 C ATOM 899 O LEU A 58 -21.378 -16.894 -13.454 1.00 0.89 O ATOM 900 CB LEU A 58 -19.877 -14.809 -12.459 1.00 0.67 C ATOM 901 CG LEU A 58 -20.093 -14.014 -13.745 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.397 -12.545 -13.439 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.862 -14.122 -14.647 1.00 0.86 C ATOM 0 H LEU A 58 -20.019 -15.821 -10.170 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.892 -14.330 -11.869 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.260 -14.228 -11.774 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.328 -15.723 -12.686 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.952 -14.437 -14.265 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.546 -12.002 -14.372 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.300 -12.479 -12.832 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.561 -12.106 -12.894 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -19.029 -13.551 -15.560 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -17.992 -13.724 -14.124 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.687 -15.168 -14.900 1.00 0.86 H new ATOM 915 N LYS A 59 -22.945 -16.868 -11.828 1.00 0.70 N ATOM 916 CA LYS A 59 -23.687 -18.027 -12.327 1.00 0.90 C ATOM 917 C LYS A 59 -24.764 -17.566 -13.308 1.00 0.87 C ATOM 918 O LYS A 59 -25.700 -16.870 -12.917 1.00 0.95 O ATOM 919 CB LYS A 59 -24.333 -18.767 -11.145 1.00 1.13 C ATOM 920 CG LYS A 59 -24.849 -20.154 -11.543 1.00 1.41 C ATOM 921 CD LYS A 59 -25.587 -20.823 -10.381 1.00 1.78 C ATOM 922 CE LYS A 59 -27.011 -20.270 -10.218 1.00 2.18 C ATOM 923 NZ LYS A 59 -28.024 -21.185 -10.814 1.00 2.83 N ATOM 0 H LYS A 59 -23.339 -16.459 -10.981 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.005 -18.702 -12.843 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.605 -18.869 -10.341 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.159 -18.173 -10.754 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -25.518 -20.064 -12.399 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -24.013 -20.780 -11.856 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -25.632 -21.899 -10.550 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -25.029 -20.668 -9.458 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -27.227 -20.126 -9.159 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -27.079 -19.291 -10.693 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -28.967 -20.945 -10.447 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -28.018 -21.082 -11.849 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -27.795 -22.168 -10.563 1.00 2.83 H new ATOM 937 N GLU A 60 -24.620 -17.956 -14.579 1.00 0.89 N ATOM 938 CA GLU A 60 -25.574 -17.598 -15.648 1.00 0.93 C ATOM 939 C GLU A 60 -25.776 -16.076 -15.732 1.00 0.71 C ATOM 940 O GLU A 60 -26.913 -15.592 -15.720 1.00 0.82 O ATOM 941 CB GLU A 60 -26.928 -18.286 -15.410 1.00 1.20 C ATOM 942 CG GLU A 60 -26.799 -19.806 -15.227 1.00 1.43 C ATOM 943 CD GLU A 60 -27.971 -20.324 -14.405 1.00 1.80 C ATOM 944 OE1 GLU A 60 -29.121 -19.912 -14.661 1.00 2.04 O ATOM 945 OE2 GLU A 60 -27.745 -21.166 -13.510 1.00 2.33 O ATOM 0 H GLU A 60 -23.840 -18.529 -14.901 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.154 -17.942 -16.593 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.398 -17.857 -14.525 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.588 -18.081 -16.253 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -26.778 -20.299 -16.199 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -25.859 -20.044 -14.729 1.00 1.43 H new ATOM 952 N ALA A 61 -24.675 -15.332 -15.807 1.00 0.51 N ATOM 953 CA ALA A 61 -24.728 -13.873 -15.883 1.00 0.35 C ATOM 954 C ALA A 61 -24.847 -13.419 -17.339 1.00 0.35 C ATOM 955 O ALA A 61 -24.021 -13.783 -18.180 1.00 0.43 O ATOM 956 CB ALA A 61 -23.474 -13.279 -15.246 1.00 0.31 C ATOM 0 H ALA A 61 -23.731 -15.717 -15.817 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.605 -13.522 -15.340 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.517 -12.191 -15.304 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.417 -13.584 -14.201 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.592 -13.637 -15.777 1.00 0.31 H new ATOM 962 N ILE A 62 -25.875 -12.619 -17.624 1.00 0.34 N ATOM 963 CA ILE A 62 -26.117 -12.094 -18.973 1.00 0.37 C ATOM 964 C ILE A 62 -25.356 -10.779 -19.152 1.00 0.31 C ATOM 965 O ILE A 62 -25.341 -9.934 -18.254 1.00 0.31 O ATOM 966 CB ILE A 62 -27.621 -11.874 -19.206 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.417 -13.144 -18.862 1.00 0.53 C ATOM 968 CG2 ILE A 62 -27.885 -11.453 -20.659 1.00 0.57 C ATOM 969 CD1 ILE A 62 -29.922 -12.927 -19.010 1.00 1.27 C ATOM 0 H ILE A 62 -26.561 -12.317 -16.932 1.00 0.34 H new ATOM 0 HA ILE A 62 -25.762 -12.819 -19.705 1.00 0.37 H new ATOM 0 HB ILE A 62 -27.954 -11.072 -18.547 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.101 -13.959 -19.514 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.192 -13.448 -17.840 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -28.954 -11.302 -20.805 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.355 -10.524 -20.871 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -27.533 -12.234 -21.334 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.449 -13.847 -18.758 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.242 -12.130 -18.339 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.150 -12.649 -20.039 1.00 1.27 H new ATOM 981 N CYS A 63 -24.726 -10.618 -20.311 1.00 0.34 N ATOM 982 CA CYS A 63 -23.952 -9.416 -20.626 1.00 0.33 C ATOM 983 C CYS A 63 -24.485 -8.782 -21.916 1.00 0.34 C ATOM 984 O CYS A 63 -24.334 -9.344 -23.005 1.00 0.52 O ATOM 985 CB CYS A 63 -22.462 -9.780 -20.767 1.00 0.37 C ATOM 986 SG CYS A 63 -21.422 -8.976 -19.541 1.00 0.53 S ATOM 0 H CYS A 63 -24.735 -11.313 -21.058 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.054 -8.691 -19.818 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.348 -10.860 -20.679 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.119 -9.503 -21.764 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.979 -7.851 -20.019 1.00 0.53 H new ATOM 992 N GLU A 64 -25.103 -7.608 -21.782 1.00 0.26 N ATOM 993 CA GLU A 64 -25.662 -6.871 -22.922 1.00 0.29 C ATOM 994 C GLU A 64 -24.712 -5.738 -23.306 1.00 0.24 C ATOM 995 O GLU A 64 -24.123 -5.102 -22.437 1.00 0.36 O ATOM 996 CB GLU A 64 -27.032 -6.289 -22.553 1.00 0.33 C ATOM 997 CG GLU A 64 -28.003 -7.372 -22.066 1.00 0.81 C ATOM 998 CD GLU A 64 -29.251 -6.732 -21.473 1.00 1.41 C ATOM 999 OE1 GLU A 64 -30.179 -6.402 -22.236 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -29.298 -6.544 -20.240 1.00 1.96 O ATOM 0 H GLU A 64 -25.231 -7.140 -20.885 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.782 -7.552 -23.764 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.908 -5.536 -21.775 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.457 -5.784 -23.420 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.279 -8.023 -22.896 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.516 -7.998 -21.318 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.562 -5.487 -24.601 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.670 -4.422 -25.081 1.00 0.32 C ATOM 1009 C VAL A 65 -24.376 -3.060 -25.021 1.00 0.31 C ATOM 1010 O VAL A 65 -25.554 -2.944 -25.371 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.214 -4.719 -26.522 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.069 -3.787 -26.926 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.780 -6.180 -26.683 1.00 0.39 C ATOM 0 H VAL A 65 -25.042 -6.001 -25.340 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.794 -4.388 -24.433 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.066 -4.543 -27.179 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.760 -4.012 -27.947 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.405 -2.752 -26.868 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.226 -3.933 -26.251 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.465 -6.355 -27.712 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.950 -6.389 -26.008 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.617 -6.837 -26.444 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.643 -2.035 -24.580 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.159 -0.666 -24.469 1.00 0.31 C ATOM 1025 C ALA A 66 -23.094 0.324 -24.954 1.00 0.34 C ATOM 1026 O ALA A 66 -22.394 0.958 -24.158 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.550 -0.358 -23.016 1.00 0.36 C ATOM 0 H ALA A 66 -22.670 -2.130 -24.288 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.049 -0.569 -25.091 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.931 0.661 -22.950 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.322 -1.056 -22.691 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.675 -0.461 -22.374 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.967 0.441 -26.270 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.986 1.343 -26.883 1.00 0.71 C ATOM 1035 C LEU A 67 -22.470 2.798 -26.831 1.00 0.89 C ATOM 1036 O LEU A 67 -21.683 3.719 -26.608 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.744 0.918 -28.340 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.414 1.462 -28.878 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.246 0.597 -28.404 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.433 1.546 -30.405 1.00 1.39 C ATOM 0 H LEU A 67 -23.533 -0.079 -26.941 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.053 1.279 -26.323 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -21.745 -0.170 -28.406 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.563 1.276 -28.964 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.280 2.470 -28.485 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.312 1.000 -28.796 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.212 0.597 -27.315 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -19.380 -0.424 -28.763 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.478 1.935 -30.760 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -20.598 0.553 -30.822 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -21.236 2.211 -30.723 1.00 1.39 H new ATOM 1052 N ASP A 68 -23.773 2.998 -27.039 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.377 4.340 -27.028 1.00 1.14 C ATOM 1054 C ASP A 68 -24.963 4.674 -25.648 1.00 0.87 C ATOM 1055 O ASP A 68 -26.116 5.097 -25.537 1.00 1.00 O ATOM 1056 CB ASP A 68 -25.466 4.425 -28.119 1.00 1.59 C ATOM 1057 CG ASP A 68 -25.635 5.858 -28.617 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -26.297 6.660 -27.931 1.00 2.62 O ATOM 1059 OD2 ASP A 68 -25.118 6.186 -29.707 1.00 3.07 O ATOM 0 H ASP A 68 -24.437 2.245 -27.219 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.600 5.074 -27.240 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -25.201 3.776 -28.953 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.413 4.061 -27.721 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.152 4.510 -24.599 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.567 4.823 -23.226 1.00 0.69 C ATOM 1066 C TYR A 69 -23.935 6.157 -22.822 1.00 0.97 C ATOM 1067 O TYR A 69 -22.818 6.186 -22.304 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.139 3.711 -22.251 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.648 3.954 -20.842 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -25.998 3.822 -20.562 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -23.771 4.327 -19.834 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.472 4.064 -19.283 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.249 4.566 -18.551 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.595 4.434 -18.284 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.061 4.680 -17.010 1.00 0.97 O ATOM 0 H TYR A 69 -23.197 4.160 -24.674 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.654 4.894 -23.184 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.513 2.752 -22.610 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.051 3.643 -22.235 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.684 3.529 -21.344 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -22.717 4.432 -20.046 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.526 3.963 -19.068 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.567 4.855 -17.765 1.00 0.64 H new ATOM 0 HH TYR A 69 -25.311 4.928 -16.430 1.00 0.97 H new ATOM 1085 N LYS A 70 -24.649 7.259 -23.097 1.00 1.40 N ATOM 1086 CA LYS A 70 -24.178 8.621 -22.805 1.00 1.81 C ATOM 1087 C LYS A 70 -23.040 8.988 -23.763 1.00 1.82 C ATOM 1088 O LYS A 70 -21.870 8.714 -23.493 1.00 2.53 O ATOM 1089 CB LYS A 70 -23.742 8.762 -21.337 1.00 2.43 C ATOM 1090 CG LYS A 70 -24.801 8.201 -20.380 1.00 2.98 C ATOM 1091 CD LYS A 70 -24.590 8.706 -18.954 1.00 3.79 C ATOM 1092 CE LYS A 70 -25.764 8.338 -18.040 1.00 4.45 C ATOM 1093 NZ LYS A 70 -27.040 8.940 -18.517 1.00 4.84 N ATOM 0 H LYS A 70 -25.572 7.230 -23.530 1.00 1.40 H new ATOM 0 HA LYS A 70 -25.003 9.317 -22.958 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -22.798 8.238 -21.185 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -23.564 9.813 -21.109 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -25.794 8.488 -20.726 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -24.762 7.112 -20.391 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -23.670 8.283 -18.551 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -24.465 9.789 -18.967 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -25.866 7.254 -17.997 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -25.557 8.679 -17.026 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -27.725 8.968 -17.735 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -26.862 9.907 -18.856 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -27.425 8.366 -19.294 1.00 4.84 H new ATOM 1107 N LYS A 71 -23.411 9.594 -24.896 1.00 1.80 N ATOM 1108 CA LYS A 71 -22.469 9.998 -25.943 1.00 2.22 C ATOM 1109 C LYS A 71 -22.090 8.773 -26.795 1.00 2.19 C ATOM 1110 O LYS A 71 -22.915 8.274 -27.565 1.00 2.78 O ATOM 1111 CB LYS A 71 -21.240 10.717 -25.329 1.00 2.97 C ATOM 1112 CG LYS A 71 -20.507 11.565 -26.371 1.00 3.56 C ATOM 1113 CD LYS A 71 -19.184 12.129 -25.830 1.00 4.44 C ATOM 1114 CE LYS A 71 -19.372 12.906 -24.519 1.00 5.27 C ATOM 1115 NZ LYS A 71 -20.348 14.024 -24.672 1.00 5.62 N ATOM 0 H LYS A 71 -24.382 9.819 -25.113 1.00 1.80 H new ATOM 0 HA LYS A 71 -22.941 10.722 -26.607 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -21.563 11.352 -24.504 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -20.555 9.978 -24.913 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -20.308 10.960 -27.255 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -21.150 12.387 -26.686 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -18.483 11.311 -25.667 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -18.739 12.786 -26.578 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -19.717 12.226 -23.740 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -18.412 13.304 -24.192 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -20.397 14.566 -23.786 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -20.041 14.650 -25.444 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -21.288 13.637 -24.893 1.00 5.62 H new ATOM 1129 N LYS A 72 -20.863 8.287 -26.645 1.00 2.22 N ATOM 1130 CA LYS A 72 -20.379 7.118 -27.381 1.00 2.54 C ATOM 1131 C LYS A 72 -19.182 6.538 -26.623 1.00 1.92 C ATOM 1132 O LYS A 72 -18.073 7.073 -26.698 1.00 2.45 O ATOM 1133 CB LYS A 72 -20.000 7.504 -28.826 1.00 3.71 C ATOM 1134 CG LYS A 72 -20.310 6.371 -29.810 1.00 4.59 C ATOM 1135 CD LYS A 72 -21.812 6.248 -30.082 1.00 5.67 C ATOM 1136 CE LYS A 72 -22.096 6.094 -31.578 1.00 6.56 C ATOM 1137 NZ LYS A 72 -23.557 5.979 -31.855 1.00 7.03 N ATOM 0 H LYS A 72 -20.173 8.690 -26.011 1.00 2.22 H new ATOM 0 HA LYS A 72 -21.163 6.364 -27.450 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -20.545 8.401 -29.119 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -18.938 7.747 -28.872 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -19.784 6.550 -30.748 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -19.935 5.429 -29.410 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -22.212 5.389 -29.544 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -22.326 7.130 -29.701 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -21.691 6.951 -32.115 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -21.584 5.209 -31.956 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -23.720 5.221 -32.548 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -24.061 5.757 -30.973 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -23.910 6.879 -32.238 1.00 7.03 H new ATOM 1151 N LYS A 73 -19.417 5.463 -25.870 1.00 1.52 N ATOM 1152 CA LYS A 73 -18.377 4.814 -25.072 1.00 1.35 C ATOM 1153 C LYS A 73 -18.352 3.316 -25.384 1.00 1.05 C ATOM 1154 O LYS A 73 -18.795 2.879 -26.446 1.00 1.79 O ATOM 1155 CB LYS A 73 -18.654 5.039 -23.571 1.00 1.94 C ATOM 1156 CG LYS A 73 -19.078 6.482 -23.274 1.00 2.32 C ATOM 1157 CD LYS A 73 -19.513 6.653 -21.816 1.00 2.93 C ATOM 1158 CE LYS A 73 -18.321 6.615 -20.854 1.00 3.52 C ATOM 1159 NZ LYS A 73 -18.386 7.722 -19.848 1.00 3.96 N ATOM 0 H LYS A 73 -20.332 5.018 -25.796 1.00 1.52 H new ATOM 0 HA LYS A 73 -17.407 5.246 -25.320 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -19.437 4.356 -23.241 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -17.759 4.799 -22.997 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -18.249 7.157 -23.489 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -19.898 6.764 -23.934 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -20.040 7.601 -21.703 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -20.217 5.864 -21.553 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -18.300 5.655 -20.338 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -17.393 6.692 -21.421 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -17.563 7.664 -19.214 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -18.381 8.639 -20.340 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -19.259 7.633 -19.290 1.00 3.96 H new ATOM 1173 N HIS A 74 -17.844 2.546 -24.436 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.748 1.085 -24.538 1.00 0.38 C ATOM 1175 C HIS A 74 -18.207 0.495 -23.206 1.00 0.30 C ATOM 1176 O HIS A 74 -17.385 0.121 -22.364 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.297 0.658 -24.849 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.930 0.776 -26.305 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.694 1.973 -26.930 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -15.757 -0.163 -27.272 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.395 1.793 -28.196 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.423 0.494 -28.444 1.00 1.53 N ATOM 0 H HIS A 74 -17.479 2.916 -23.558 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.377 0.720 -25.350 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.613 1.270 -24.260 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.155 -0.375 -24.530 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -15.861 -1.231 -27.148 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -15.166 2.570 -28.910 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -15.232 0.053 -29.343 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.527 0.451 -23.007 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.123 -0.057 -21.770 1.00 0.23 C ATOM 1192 C VAL A 75 -20.937 -1.321 -22.058 1.00 0.22 C ATOM 1193 O VAL A 75 -21.425 -1.521 -23.169 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.025 1.040 -21.151 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.790 0.530 -19.924 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.201 2.272 -20.768 1.00 0.31 C ATOM 0 H VAL A 75 -20.210 0.765 -23.696 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.334 -0.313 -21.063 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.753 1.316 -21.914 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.410 1.332 -19.522 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.424 -0.308 -20.213 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -21.081 0.203 -19.163 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.856 3.028 -20.336 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.442 1.990 -20.038 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.717 2.677 -21.657 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.104 -2.158 -21.040 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.893 -3.380 -21.156 1.00 0.23 C ATOM 1208 C PHE A 76 -22.666 -3.587 -19.858 1.00 0.22 C ATOM 1209 O PHE A 76 -22.162 -3.306 -18.766 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.020 -4.602 -21.508 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.972 -4.971 -20.476 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -20.285 -5.856 -19.456 1.00 0.27 C ATOM 1213 CD2 PHE A 76 -18.691 -4.448 -20.565 1.00 0.26 C ATOM 1214 CE1 PHE A 76 -19.324 -6.212 -18.522 1.00 0.29 C ATOM 1215 CE2 PHE A 76 -17.727 -4.806 -19.634 1.00 0.28 C ATOM 1216 CZ PHE A 76 -18.043 -5.688 -18.612 1.00 0.29 C ATOM 0 H PHE A 76 -20.699 -2.010 -20.116 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.597 -3.274 -21.981 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.673 -5.461 -21.662 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.519 -4.408 -22.457 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -21.280 -6.269 -19.389 1.00 0.27 H new ATOM 0 HD2 PHE A 76 -18.443 -3.761 -21.360 1.00 0.26 H new ATOM 0 HE1 PHE A 76 -19.573 -6.897 -17.725 1.00 0.29 H new ATOM 0 HE2 PHE A 76 -16.730 -4.397 -19.705 1.00 0.28 H new ATOM 0 HZ PHE A 76 -17.293 -5.967 -17.887 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.902 -4.054 -19.990 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.783 -4.287 -18.849 1.00 0.28 C ATOM 1228 C LYS A 77 -24.669 -5.737 -18.397 1.00 0.31 C ATOM 1229 O LYS A 77 -25.119 -6.654 -19.092 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.237 -3.968 -19.214 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.344 -2.793 -20.188 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.729 -2.145 -20.126 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.838 -3.110 -20.571 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.335 -3.956 -19.441 1.00 1.95 N ATOM 0 H LYS A 77 -24.323 -4.282 -20.891 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.478 -3.629 -18.035 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.700 -4.849 -19.658 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.795 -3.738 -18.307 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.582 -2.051 -19.951 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.147 -3.140 -21.203 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.927 -1.810 -19.108 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.743 -1.259 -20.761 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.668 -2.540 -20.989 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.461 -3.753 -21.366 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -29.003 -4.934 -19.567 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -28.973 -3.581 -18.541 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.375 -3.942 -19.428 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.071 -5.926 -17.231 1.00 0.23 N ATOM 1249 CA LEU A 78 -23.876 -7.242 -16.638 1.00 0.24 C ATOM 1250 C LEU A 78 -24.989 -7.513 -15.623 1.00 0.29 C ATOM 1251 O LEU A 78 -25.050 -6.886 -14.562 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.494 -7.296 -15.969 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.179 -8.662 -15.367 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.646 -9.806 -16.274 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.684 -8.793 -15.050 1.00 0.86 C ATOM 0 H LEU A 78 -23.703 -5.163 -16.663 1.00 0.23 H new ATOM 0 HA LEU A 78 -23.919 -8.012 -17.408 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.730 -7.044 -16.704 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.445 -6.539 -15.186 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.735 -8.738 -14.432 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.403 -10.761 -15.809 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.724 -9.737 -16.420 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.144 -9.734 -17.239 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.488 -9.776 -14.622 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.106 -8.674 -15.966 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.395 -8.022 -14.336 1.00 0.86 H new ATOM 1267 N ARG A 79 -25.867 -8.444 -15.974 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.003 -8.834 -15.136 1.00 0.40 C ATOM 1269 C ARG A 79 -26.752 -10.215 -14.540 1.00 0.45 C ATOM 1270 O ARG A 79 -26.553 -11.183 -15.276 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.281 -8.859 -15.996 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.554 -9.026 -15.152 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.524 -10.043 -15.767 1.00 1.51 C ATOM 1274 NE ARG A 79 -30.798 -11.121 -14.819 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.032 -11.439 -14.438 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.787 -10.532 -13.838 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -32.502 -12.657 -14.659 1.00 2.93 N ATOM 0 H ARG A 79 -25.814 -8.956 -16.855 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.124 -8.115 -14.325 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.348 -7.934 -16.569 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.216 -9.676 -16.715 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.282 -9.347 -14.146 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.053 -8.062 -15.055 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -31.455 -9.547 -16.043 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -30.098 -10.454 -16.682 1.00 1.51 H new ATOM 0 HE ARG A 79 -30.014 -11.649 -14.435 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.422 -9.595 -13.670 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -33.734 -10.771 -13.544 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -31.917 -13.353 -15.122 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -33.449 -12.899 -14.366 1.00 2.93 H new ATOM 1291 N LEU A 80 -26.785 -10.316 -13.210 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.582 -11.607 -12.532 1.00 0.68 C ATOM 1293 C LEU A 80 -27.790 -12.523 -12.797 1.00 0.84 C ATOM 1294 O LEU A 80 -28.796 -12.083 -13.361 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.407 -11.383 -11.024 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.025 -10.813 -10.694 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -25.030 -10.181 -9.304 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.939 -11.889 -10.789 1.00 1.26 C ATOM 0 H LEU A 80 -26.949 -9.529 -12.582 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.682 -12.083 -12.921 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.177 -10.700 -10.665 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.547 -12.327 -10.497 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.796 -10.043 -11.431 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -24.041 -9.780 -9.083 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.763 -9.375 -9.273 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -25.289 -10.936 -8.562 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.970 -11.451 -10.549 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -24.159 -12.691 -10.085 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -23.914 -12.292 -11.801 1.00 1.26 H new ATOM 1310 N SER A 81 -27.699 -13.791 -12.388 1.00 1.01 N ATOM 1311 CA SER A 81 -28.785 -14.772 -12.576 1.00 1.23 C ATOM 1312 C SER A 81 -30.114 -14.255 -12.014 1.00 1.40 C ATOM 1313 O SER A 81 -31.163 -14.394 -12.639 1.00 1.92 O ATOM 1314 CB SER A 81 -28.407 -16.104 -11.901 1.00 1.52 C ATOM 1315 OG SER A 81 -27.287 -15.947 -11.029 1.00 2.18 O ATOM 0 H SER A 81 -26.877 -14.171 -11.919 1.00 1.01 H new ATOM 0 HA SER A 81 -28.916 -14.930 -13.646 1.00 1.23 H new ATOM 0 HB2 SER A 81 -29.259 -16.482 -11.337 1.00 1.52 H new ATOM 0 HB3 SER A 81 -28.175 -16.847 -12.664 1.00 1.52 H new ATOM 0 HG SER A 81 -26.459 -16.113 -11.527 1.00 2.18 H new ATOM 1321 N ASP A 82 -30.045 -13.654 -10.829 1.00 1.33 N ATOM 1322 CA ASP A 82 -31.212 -13.096 -10.149 1.00 1.76 C ATOM 1323 C ASP A 82 -30.733 -12.351 -8.897 1.00 1.31 C ATOM 1324 O ASP A 82 -30.820 -12.881 -7.788 1.00 1.74 O ATOM 1325 CB ASP A 82 -32.197 -14.222 -9.764 1.00 2.76 C ATOM 1326 CG ASP A 82 -33.541 -13.653 -9.311 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -33.915 -12.550 -9.760 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -34.230 -14.321 -8.515 1.00 3.77 O ATOM 0 H ASP A 82 -29.174 -13.540 -10.310 1.00 1.33 H new ATOM 0 HA ASP A 82 -31.734 -12.406 -10.812 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -32.349 -14.883 -10.617 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -31.768 -14.826 -8.965 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.190 -11.136 -9.066 1.00 1.09 N ATOM 1334 CA GLY A 83 -29.683 -10.369 -7.925 1.00 1.53 C ATOM 1335 C GLY A 83 -29.654 -8.869 -8.208 1.00 1.31 C ATOM 1336 O GLY A 83 -30.559 -8.136 -7.763 1.00 1.88 O ATOM 0 H GLY A 83 -30.093 -10.671 -9.969 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -30.309 -10.561 -7.053 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -28.678 -10.710 -7.677 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.599 -8.416 -8.926 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.410 -6.998 -9.252 1.00 0.71 C ATOM 1342 C ASN A 84 -27.986 -6.853 -10.713 1.00 0.62 C ATOM 1343 O ASN A 84 -27.526 -7.822 -11.332 1.00 0.65 O ATOM 1344 CB ASN A 84 -27.287 -6.410 -8.368 1.00 0.84 C ATOM 1345 CG ASN A 84 -27.710 -6.253 -6.903 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -28.880 -6.359 -6.557 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.745 -5.983 -6.036 1.00 1.32 N ATOM 0 H ASN A 84 -27.865 -9.024 -9.289 1.00 0.93 H new ATOM 0 HA ASN A 84 -29.348 -6.471 -9.078 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.411 -7.057 -8.422 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.990 -5.438 -8.763 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -26.967 -5.857 -5.048 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.780 -5.901 -6.356 1.00 1.32 H new ATOM 1354 N GLU A 85 -28.108 -5.620 -11.224 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.714 -5.250 -12.590 1.00 0.55 C ATOM 1356 C GLU A 85 -26.604 -4.200 -12.495 1.00 0.47 C ATOM 1357 O GLU A 85 -26.794 -3.156 -11.860 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.913 -4.674 -13.353 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.746 -5.784 -13.989 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.046 -5.229 -14.556 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.991 -4.305 -15.389 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.127 -5.712 -14.164 1.00 1.39 O ATOM 0 H GLU A 85 -28.490 -4.839 -10.691 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.361 -6.130 -13.127 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.535 -4.093 -12.673 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.562 -3.991 -14.126 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.174 -6.265 -14.783 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -29.966 -6.550 -13.246 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.446 -4.476 -13.100 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.300 -3.554 -13.052 1.00 0.31 C ATOM 1371 C TYR A 86 -23.835 -3.152 -14.453 1.00 0.29 C ATOM 1372 O TYR A 86 -23.726 -3.994 -15.343 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.123 -4.224 -12.327 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.433 -4.671 -10.917 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.505 -3.740 -9.896 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.624 -6.017 -10.640 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.767 -4.151 -8.603 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.889 -6.425 -9.346 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.957 -5.490 -8.332 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.221 -5.895 -7.043 1.00 0.77 O ATOM 0 H TYR A 86 -25.274 -5.330 -13.630 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.626 -2.660 -12.520 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.799 -5.089 -12.907 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.285 -3.527 -12.299 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.356 -2.692 -10.110 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.566 -6.746 -11.435 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.823 -3.425 -7.806 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -24.042 -7.472 -9.129 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.330 -6.869 -7.022 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.502 -1.870 -14.617 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.975 -1.347 -15.880 1.00 0.23 C ATOM 1392 C LEU A 87 -21.454 -1.323 -15.772 1.00 0.22 C ATOM 1393 O LEU A 87 -20.912 -0.757 -14.819 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.475 0.079 -16.155 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.993 0.155 -16.339 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.381 1.501 -16.943 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.511 -0.984 -17.216 1.00 0.38 C ATOM 0 H LEU A 87 -23.589 -1.168 -13.882 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.313 -1.984 -16.697 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.182 0.727 -15.329 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.986 0.463 -17.050 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.454 0.054 -15.356 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.463 1.545 -17.070 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.061 2.304 -16.279 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.897 1.618 -17.913 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.592 -0.897 -17.324 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.042 -0.929 -18.199 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.268 -1.940 -16.752 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.775 -1.943 -16.728 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.315 -2.003 -16.727 1.00 0.19 C ATOM 1411 C PHE A 88 -18.752 -1.281 -17.947 1.00 0.20 C ATOM 1412 O PHE A 88 -19.102 -1.604 -19.081 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.861 -3.463 -16.709 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.909 -4.080 -15.326 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.983 -3.698 -14.363 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.878 -5.022 -15.013 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.027 -4.256 -13.098 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.921 -5.578 -13.747 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.999 -5.196 -12.790 1.00 0.22 C ATOM 0 H PHE A 88 -21.213 -2.415 -17.519 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.938 -1.504 -15.834 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.493 -4.043 -17.382 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.843 -3.526 -17.094 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.228 -2.964 -14.603 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.600 -5.322 -15.759 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.305 -3.960 -12.351 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.676 -6.312 -13.506 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.036 -5.630 -11.802 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.872 -0.307 -17.704 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.239 0.471 -18.777 1.00 0.26 C ATOM 1431 C GLN A 89 -15.823 -0.044 -19.023 1.00 0.22 C ATOM 1432 O GLN A 89 -14.993 -0.059 -18.103 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.191 1.962 -18.408 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.998 2.852 -19.651 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.093 4.047 -19.333 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.086 4.548 -18.208 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -15.346 4.508 -20.325 1.00 1.63 N ATOM 0 H GLN A 89 -17.578 -0.035 -16.766 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.831 0.355 -19.685 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.115 2.241 -17.901 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.376 2.137 -17.705 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.561 2.265 -20.459 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.967 3.208 -20.002 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -15.383 4.062 -21.241 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -14.733 5.309 -20.172 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.561 -0.445 -20.266 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.250 -0.950 -20.683 1.00 0.24 C ATOM 1448 C ALA A 90 -13.466 0.163 -21.384 1.00 0.27 C ATOM 1449 O ALA A 90 -14.041 1.172 -21.802 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.435 -2.139 -21.629 1.00 0.29 C ATOM 0 H ALA A 90 -16.253 -0.430 -21.016 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.692 -1.277 -19.806 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.459 -2.513 -21.938 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.981 -2.931 -21.116 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.997 -1.821 -22.507 1.00 0.29 H new ATOM 1456 N LYS A 91 -12.156 -0.021 -21.512 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.291 0.972 -22.158 1.00 0.44 C ATOM 1458 C LYS A 91 -11.165 0.712 -23.662 1.00 0.49 C ATOM 1459 O LYS A 91 -11.171 1.652 -24.461 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.903 0.955 -21.513 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.966 1.331 -20.029 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.380 0.230 -19.140 1.00 1.43 C ATOM 1463 CE LYS A 91 -7.892 -0.002 -19.437 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.643 -1.331 -20.068 1.00 2.29 N ATOM 0 H LYS A 91 -11.665 -0.850 -21.177 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.747 1.952 -22.021 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.464 -0.037 -21.619 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.249 1.651 -22.038 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.420 2.260 -19.866 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -11.002 1.516 -19.744 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -9.504 0.503 -18.092 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -9.932 -0.697 -19.296 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -7.528 0.785 -20.097 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -7.323 0.071 -18.510 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -6.631 -1.561 -20.004 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -8.196 -2.059 -19.573 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.929 -1.300 -21.068 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.038 -0.562 -24.046 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.891 -0.944 -25.465 1.00 0.66 C ATOM 1480 C ASP A 92 -11.946 -1.975 -25.879 1.00 0.59 C ATOM 1481 O ASP A 92 -12.464 -2.727 -25.050 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.480 -1.514 -25.710 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.174 -1.623 -27.208 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.571 -2.627 -27.838 1.00 2.01 O ATOM 1485 OD2 ASP A 92 -8.543 -0.700 -27.762 1.00 1.77 O ATOM 0 H ASP A 92 -11.033 -1.350 -23.399 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.036 -0.050 -26.071 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.739 -0.874 -25.231 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.398 -2.498 -25.248 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.228 -2.016 -27.185 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.191 -2.958 -27.784 1.00 0.63 C ATOM 1492 C ASP A 93 -12.756 -4.408 -27.528 1.00 0.49 C ATOM 1493 O ASP A 93 -13.588 -5.276 -27.259 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.301 -2.694 -29.296 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.329 -3.617 -29.954 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -15.498 -3.623 -29.514 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -13.973 -4.336 -30.906 1.00 2.13 O ATOM 0 H ASP A 93 -11.793 -1.393 -27.865 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.167 -2.807 -27.322 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.583 -1.655 -29.465 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.327 -2.840 -29.764 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.442 -4.661 -27.581 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.897 -5.999 -27.321 1.00 0.41 C ATOM 1504 C GLU A 94 -11.180 -6.384 -25.870 1.00 0.36 C ATOM 1505 O GLU A 94 -11.588 -7.506 -25.577 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.389 -6.023 -27.579 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.078 -6.165 -29.070 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.624 -6.571 -29.261 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.297 -7.751 -29.036 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -6.801 -5.705 -29.619 1.00 2.43 O ATOM 0 H GLU A 94 -10.737 -3.957 -27.801 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.373 -6.714 -27.992 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.939 -5.106 -27.198 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.938 -6.851 -27.032 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.734 -6.911 -29.518 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.271 -5.222 -29.582 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.985 -5.415 -24.972 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.232 -5.591 -23.542 1.00 0.29 C ATOM 1519 C GLU A 95 -12.713 -5.887 -23.287 1.00 0.24 C ATOM 1520 O GLU A 95 -13.051 -6.832 -22.574 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.819 -4.321 -22.793 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.312 -4.638 -21.391 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.128 -3.353 -20.595 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.785 -2.352 -20.927 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -9.333 -3.349 -19.630 1.00 1.30 O ATOM 0 H GLU A 95 -10.650 -4.484 -25.219 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.643 -6.435 -23.182 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -10.041 -3.804 -23.354 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.670 -3.643 -22.728 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.018 -5.293 -20.880 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.366 -5.176 -21.452 1.00 0.42 H new ATOM 1532 N MET A 96 -13.586 -5.074 -23.893 1.00 0.24 N ATOM 1533 CA MET A 96 -15.043 -5.228 -23.762 1.00 0.22 C ATOM 1534 C MET A 96 -15.480 -6.621 -24.237 1.00 0.22 C ATOM 1535 O MET A 96 -16.236 -7.311 -23.553 1.00 0.23 O ATOM 1536 CB MET A 96 -15.753 -4.142 -24.578 1.00 0.26 C ATOM 1537 CG MET A 96 -17.272 -4.194 -24.399 1.00 0.39 C ATOM 1538 SD MET A 96 -18.074 -2.650 -24.863 1.00 0.94 S ATOM 1539 CE MET A 96 -18.228 -2.864 -26.644 1.00 0.77 C ATOM 0 H MET A 96 -13.306 -4.293 -24.486 1.00 0.24 H new ATOM 0 HA MET A 96 -15.317 -5.122 -22.712 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.385 -3.162 -24.275 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.508 -4.262 -25.633 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.678 -5.006 -25.002 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.504 -4.422 -23.359 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.708 -1.986 -27.076 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.238 -2.989 -27.082 1.00 0.77 H new ATOM 0 HE3 MET A 96 -18.831 -3.747 -26.854 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.972 -7.025 -25.406 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.271 -8.343 -25.991 1.00 0.28 C ATOM 1551 C ASN A 97 -14.760 -9.460 -25.070 1.00 0.26 C ATOM 1552 O ASN A 97 -15.466 -10.434 -24.810 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.620 -8.451 -27.382 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.187 -9.632 -28.180 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.333 -10.036 -27.984 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.385 -10.179 -29.081 1.00 1.24 N ATOM 0 H ASN A 97 -14.345 -6.454 -25.973 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.350 -8.453 -26.096 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.784 -7.526 -27.934 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.542 -8.569 -27.272 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.711 -10.965 -29.643 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.442 -9.814 -29.213 1.00 1.24 H new ATOM 1563 N THR A 98 -13.533 -9.297 -24.562 1.00 0.25 N ATOM 1564 CA THR A 98 -12.919 -10.278 -23.652 1.00 0.27 C ATOM 1565 C THR A 98 -13.722 -10.405 -22.348 1.00 0.23 C ATOM 1566 O THR A 98 -13.963 -11.511 -21.871 1.00 0.27 O ATOM 1567 CB THR A 98 -11.473 -9.867 -23.335 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.734 -9.719 -24.544 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.787 -10.897 -22.431 1.00 0.39 C ATOM 0 H THR A 98 -12.941 -8.492 -24.765 1.00 0.25 H new ATOM 0 HA THR A 98 -12.921 -11.248 -24.150 1.00 0.27 H new ATOM 0 HB THR A 98 -11.502 -8.915 -22.805 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.053 -8.928 -25.027 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.765 -10.577 -22.225 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.337 -10.982 -21.494 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.770 -11.866 -22.931 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.136 -9.266 -21.776 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.912 -9.254 -20.527 1.00 0.20 C ATOM 1579 C TRP A 99 -16.254 -9.970 -20.725 1.00 0.21 C ATOM 1580 O TRP A 99 -16.623 -10.832 -19.930 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.143 -7.806 -20.047 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.986 -7.232 -19.268 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.251 -6.120 -19.589 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.426 -7.742 -18.035 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.298 -5.927 -18.627 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.370 -6.893 -17.673 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.716 -8.828 -17.204 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.615 -7.101 -16.530 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.961 -9.045 -16.060 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.918 -8.189 -15.727 1.00 0.29 C ATOM 0 H TRP A 99 -13.946 -8.340 -22.159 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.343 -9.785 -19.763 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.336 -7.172 -20.913 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -16.038 -7.777 -19.425 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.400 -5.498 -20.459 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.624 -5.161 -18.626 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.527 -9.497 -17.452 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.809 -6.431 -16.271 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.186 -9.887 -15.422 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.338 -8.373 -14.834 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.973 -9.617 -21.796 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.272 -10.231 -22.106 1.00 0.24 C ATOM 1603 C ILE A 100 -18.120 -11.740 -22.358 1.00 0.28 C ATOM 1604 O ILE A 100 -18.856 -12.542 -21.786 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.913 -9.524 -23.316 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.337 -8.098 -22.933 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.120 -10.305 -23.856 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.883 -7.325 -24.132 1.00 0.29 C ATOM 0 H ILE A 100 -16.677 -8.907 -22.466 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.932 -10.109 -21.247 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.165 -9.479 -24.107 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.097 -8.142 -22.153 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.483 -7.565 -22.516 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.545 -9.775 -24.708 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.800 -11.299 -24.170 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.874 -10.397 -23.074 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.171 -6.322 -23.818 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.114 -7.257 -24.902 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.754 -7.844 -24.533 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.152 -12.121 -23.198 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.897 -13.536 -23.511 1.00 0.35 C ATOM 1622 C GLN A 101 -16.500 -14.317 -22.247 1.00 0.36 C ATOM 1623 O GLN A 101 -16.979 -15.433 -22.015 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.789 -13.648 -24.570 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.306 -13.292 -25.969 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.231 -13.546 -27.026 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -14.053 -13.720 -26.710 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -15.633 -13.568 -28.285 1.00 1.76 N ATOM 0 H GLN A 101 -16.529 -11.469 -23.676 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.816 -13.970 -23.905 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.965 -12.985 -24.307 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.392 -14.663 -24.576 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.192 -13.884 -26.196 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.607 -12.245 -25.995 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -16.617 -13.420 -28.509 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -14.959 -13.733 -29.033 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.639 -13.716 -21.421 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.186 -14.337 -20.168 1.00 0.37 C ATOM 1639 C ALA A 102 -16.353 -14.477 -19.187 1.00 0.38 C ATOM 1640 O ALA A 102 -16.473 -15.482 -18.489 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.067 -13.496 -19.541 1.00 0.38 C ATOM 0 H ALA A 102 -15.238 -12.795 -21.597 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.800 -15.332 -20.391 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.737 -13.963 -18.613 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.228 -13.433 -20.234 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.440 -12.494 -19.330 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.221 -13.467 -19.160 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.399 -13.457 -18.287 1.00 0.38 C ATOM 1649 C ILE A 103 -19.410 -14.523 -18.744 1.00 0.47 C ATOM 1650 O ILE A 103 -20.043 -15.179 -17.914 1.00 0.55 O ATOM 1651 CB ILE A 103 -19.027 -12.048 -18.285 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.199 -11.108 -17.398 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.479 -12.067 -17.804 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.305 -9.650 -17.849 1.00 0.35 C ATOM 0 H ILE A 103 -17.130 -12.633 -19.740 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.101 -13.702 -17.268 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.024 -11.686 -19.313 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.537 -11.193 -16.365 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.154 -11.418 -17.418 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.881 -11.054 -17.819 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.072 -12.702 -18.462 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.521 -12.459 -16.788 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.703 -9.021 -17.193 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.942 -9.558 -18.873 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.346 -9.330 -17.804 1.00 0.35 H new ATOM 1666 N SER A 104 -19.544 -14.704 -20.065 1.00 0.53 N ATOM 1667 CA SER A 104 -20.457 -15.701 -20.630 1.00 0.66 C ATOM 1668 C SER A 104 -19.991 -17.119 -20.278 1.00 0.72 C ATOM 1669 O SER A 104 -20.807 -18.009 -20.031 1.00 0.89 O ATOM 1670 CB SER A 104 -20.527 -15.532 -22.151 1.00 0.81 C ATOM 1671 OG SER A 104 -20.981 -14.228 -22.493 1.00 1.05 O ATOM 0 H SER A 104 -19.028 -14.169 -20.763 1.00 0.53 H new ATOM 0 HA SER A 104 -21.449 -15.550 -20.205 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.543 -15.705 -22.587 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.199 -16.279 -22.574 1.00 0.81 H new ATOM 0 HG SER A 104 -20.294 -13.570 -22.258 1.00 1.05 H new ATOM 1677 N SER A 105 -18.672 -17.315 -20.248 1.00 0.80 N ATOM 1678 CA SER A 105 -18.077 -18.615 -19.915 1.00 1.13 C ATOM 1679 C SER A 105 -18.066 -18.827 -18.391 1.00 1.23 C ATOM 1680 O SER A 105 -18.288 -19.940 -17.909 1.00 1.61 O ATOM 1681 CB SER A 105 -16.654 -18.698 -20.479 1.00 1.48 C ATOM 1682 OG SER A 105 -16.624 -18.265 -21.838 1.00 1.63 O ATOM 0 H SER A 105 -17.989 -16.585 -20.452 1.00 0.80 H new ATOM 0 HA SER A 105 -18.680 -19.404 -20.365 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.984 -18.081 -19.881 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.290 -19.723 -20.411 1.00 1.48 H new ATOM 0 HG SER A 105 -16.733 -17.292 -21.874 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.822 -17.740 -17.646 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.788 -17.752 -16.176 1.00 1.59 C ATOM 1690 C ALA A 106 -16.609 -18.572 -15.647 1.00 2.40 C ATOM 1691 O ALA A 106 -15.546 -18.591 -16.302 1.00 3.00 O ATOM 1692 CB ALA A 106 -19.114 -18.281 -15.618 1.00 1.90 C ATOM 1693 OXT ALA A 106 -16.742 -19.194 -14.573 1.00 3.05 O ATOM 0 H ALA A 106 -17.641 -16.821 -18.049 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.649 -16.726 -15.835 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -19.075 -18.284 -14.529 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -19.930 -17.639 -15.950 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.281 -19.296 -15.978 1.00 1.90 H new TER 1699 ALA A 106