USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=30 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 84 ASN : amide:sc= 0.613 K(o=1.3,f=0.52) USER MOD Set 1.2: A 86 TYR OH : rot 150:sc= 0.717 USER MOD Set 2.1: A 74 HIS : no HD1:sc= -0.49 X(o=-0.54,f=-0.92) USER MOD Set 2.2: A 96 MET CE :methyl -168:sc= -0.0468 (180deg=-0.153) USER MOD Set 3.1: A 24 HIS : no HE2:sc= 0.197 X(o=0.4,f=0) USER MOD Set 3.2: A 50 TYR OH : rot 158:sc= 0.204 USER MOD Set 4.1: A 9 HIS : no HE2:sc= -0.91! C(o=-1.7!,f=-4.2!) USER MOD Set 4.2: A 14 HIS : no HD1:sc= -0.829 K(o=-1.7,f=-3.6) USER MOD Set 5.1: A 6 ASN : amide:sc= -0.421 K(o=-0.35,f=-3.6!) USER MOD Set 5.2: A 89 GLN : amide:sc= 0.0665 K(o=-0.35,f=-3.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.11) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 16 LYS NZ :NH3+ 144:sc=-0.00139 (180deg=-0.158) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 82:sc= 0.00391 USER MOD Single : A 25 ASN : amide:sc= -0.0592 X(o=-0.059,f=-0.0067) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -70:sc= 0.156 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.175 K(o=-0.17,f=-1.9!) USER MOD Single : A 33 GLN : amide:sc= 0.977 K(o=0.98,f=-0.2) USER MOD Single : A 35 MET CE :methyl 163:sc= -0.894 (180deg=-2.75) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -120:sc= 1.22 (180deg=0.478) USER MOD Single : A 43 SER OG : rot 77:sc= 0.645 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-2.8e-06) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 1.3 (180deg=1.21) USER MOD Single : A 63 CYS SG : rot 150:sc= -0.327 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= -0.206 (180deg=-0.805) USER MOD Single : A 71 LYS NZ :NH3+ -160:sc=-0.00893 (180deg=-0.167) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0383) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -112:sc= 1.41 USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= -1.42 (180deg=-1.51) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 92:sc= 1.27 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 66:sc= 1.3 USER MOD Single : A 105 SER OG : rot 82:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.631 -13.409 -16.388 1.00 1.74 N ATOM 2 CA MET A 1 -8.934 -12.081 -16.980 1.00 1.02 C ATOM 3 C MET A 1 -9.049 -11.042 -15.869 1.00 0.87 C ATOM 4 O MET A 1 -10.147 -10.633 -15.494 1.00 1.29 O ATOM 5 CB MET A 1 -10.227 -12.131 -17.811 1.00 1.60 C ATOM 6 CG MET A 1 -10.508 -10.805 -18.542 1.00 2.33 C ATOM 7 SD MET A 1 -9.140 -10.277 -19.596 1.00 3.31 S ATOM 8 CE MET A 1 -9.542 -8.540 -19.843 1.00 4.33 C ATOM 0 H1 MET A 1 -8.553 -14.117 -17.146 1.00 1.74 H new ATOM 0 H2 MET A 1 -7.733 -13.360 -15.866 1.00 1.74 H new ATOM 0 H3 MET A 1 -9.395 -13.681 -15.737 1.00 1.74 H new ATOM 0 HA MET A 1 -8.121 -11.801 -17.650 1.00 1.02 H new ATOM 0 HB2 MET A 1 -10.155 -12.937 -18.541 1.00 1.60 H new ATOM 0 HB3 MET A 1 -11.067 -12.367 -17.157 1.00 1.60 H new ATOM 0 HG2 MET A 1 -11.406 -10.915 -19.150 1.00 2.33 H new ATOM 0 HG3 MET A 1 -10.714 -10.027 -17.806 1.00 2.33 H new ATOM 0 HE1 MET A 1 -8.785 -8.078 -20.476 1.00 4.33 H new ATOM 0 HE2 MET A 1 -10.517 -8.457 -20.323 1.00 4.33 H new ATOM 0 HE3 MET A 1 -9.568 -8.032 -18.879 1.00 4.33 H new ATOM 20 N GLU A 2 -7.903 -10.628 -15.336 1.00 0.51 N ATOM 21 CA GLU A 2 -7.828 -9.651 -14.268 1.00 0.37 C ATOM 22 C GLU A 2 -7.484 -8.280 -14.853 1.00 0.34 C ATOM 23 O GLU A 2 -6.597 -8.172 -15.706 1.00 0.48 O ATOM 24 CB GLU A 2 -6.743 -10.094 -13.290 1.00 0.53 C ATOM 25 CG GLU A 2 -7.285 -11.062 -12.237 1.00 0.96 C ATOM 26 CD GLU A 2 -7.601 -12.426 -12.850 1.00 1.61 C ATOM 27 OE1 GLU A 2 -6.699 -13.038 -13.459 1.00 2.09 O ATOM 28 OE2 GLU A 2 -8.755 -12.887 -12.726 1.00 2.16 O ATOM 0 H GLU A 2 -6.992 -10.969 -15.642 1.00 0.51 H new ATOM 0 HA GLU A 2 -8.784 -9.577 -13.750 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -5.932 -10.572 -13.840 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.321 -9.219 -12.796 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.554 -11.180 -11.438 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.186 -10.646 -11.786 1.00 0.96 H new ATOM 35 N GLY A 3 -8.177 -7.240 -14.401 1.00 0.25 N ATOM 36 CA GLY A 3 -7.933 -5.877 -14.886 1.00 0.28 C ATOM 37 C GLY A 3 -8.904 -4.883 -14.259 1.00 0.22 C ATOM 38 O GLY A 3 -9.820 -5.265 -13.519 1.00 0.22 O ATOM 0 H GLY A 3 -8.914 -7.310 -13.699 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.909 -5.584 -14.654 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.033 -5.852 -15.971 1.00 0.28 H new ATOM 42 N PHE A 4 -8.698 -3.602 -14.564 1.00 0.24 N ATOM 43 CA PHE A 4 -9.543 -2.518 -14.046 1.00 0.21 C ATOM 44 C PHE A 4 -10.801 -2.362 -14.901 1.00 0.22 C ATOM 45 O PHE A 4 -10.771 -2.552 -16.122 1.00 0.27 O ATOM 46 CB PHE A 4 -8.764 -1.194 -14.028 1.00 0.23 C ATOM 47 CG PHE A 4 -7.864 -1.044 -12.821 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.407 -0.842 -11.559 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.490 -1.110 -12.976 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.576 -0.712 -10.458 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.660 -0.978 -11.876 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.227 -0.762 -10.601 1.00 0.41 C ATOM 0 H PHE A 4 -7.945 -3.284 -15.174 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.837 -2.773 -13.028 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.161 -1.123 -14.933 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.471 -0.365 -14.051 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.478 -0.786 -11.436 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.065 -1.265 -13.957 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.005 -0.570 -9.477 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.588 -1.040 -11.992 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.588 -0.637 -9.740 1.00 0.41 H new ATOM 62 N LEU A 5 -11.894 -2.008 -14.241 1.00 0.19 N ATOM 63 CA LEU A 5 -13.190 -1.802 -14.888 1.00 0.21 C ATOM 64 C LEU A 5 -13.972 -0.735 -14.125 1.00 0.20 C ATOM 65 O LEU A 5 -13.909 -0.663 -12.895 1.00 0.21 O ATOM 66 CB LEU A 5 -14.003 -3.112 -14.897 1.00 0.23 C ATOM 67 CG LEU A 5 -13.831 -3.917 -16.185 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.462 -5.299 -16.020 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.455 -3.191 -17.379 1.00 0.31 C ATOM 0 H LEU A 5 -11.911 -1.853 -13.233 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.021 -1.482 -15.916 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.700 -3.726 -14.049 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.059 -2.878 -14.760 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.764 -4.028 -16.380 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.337 -5.869 -16.941 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -13.976 -5.825 -15.199 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.525 -5.190 -15.803 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.317 -3.788 -18.281 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.520 -3.045 -17.200 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.973 -2.222 -17.508 1.00 0.31 H new ATOM 81 N ASN A 6 -14.744 0.068 -14.852 1.00 0.22 N ATOM 82 CA ASN A 6 -15.580 1.105 -14.238 1.00 0.23 C ATOM 83 C ASN A 6 -16.927 0.468 -13.909 1.00 0.22 C ATOM 84 O ASN A 6 -17.600 -0.026 -14.803 1.00 0.26 O ATOM 85 CB ASN A 6 -15.730 2.312 -15.195 1.00 0.28 C ATOM 86 CG ASN A 6 -15.429 3.645 -14.495 1.00 0.72 C ATOM 87 OD1 ASN A 6 -14.900 3.685 -13.385 1.00 1.49 O ATOM 88 ND2 ASN A 6 -15.757 4.746 -15.155 1.00 1.24 N ATOM 0 H ASN A 6 -14.811 0.023 -15.869 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.125 1.488 -13.325 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.056 2.188 -16.043 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.744 2.334 -15.594 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -15.572 5.661 -14.744 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -16.195 4.679 -16.074 1.00 1.24 H new ATOM 95 N ARG A 7 -17.289 0.431 -12.623 1.00 0.23 N ATOM 96 CA ARG A 7 -18.538 -0.199 -12.179 1.00 0.24 C ATOM 97 C ARG A 7 -19.581 0.848 -11.784 1.00 0.25 C ATOM 98 O ARG A 7 -19.347 1.672 -10.895 1.00 0.32 O ATOM 99 CB ARG A 7 -18.268 -1.127 -10.980 1.00 0.28 C ATOM 100 CG ARG A 7 -19.534 -1.895 -10.570 1.00 0.34 C ATOM 101 CD ARG A 7 -19.257 -2.907 -9.452 1.00 0.54 C ATOM 102 NE ARG A 7 -19.407 -2.283 -8.130 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.200 -2.971 -7.005 1.00 1.16 C ATOM 104 NH1 ARG A 7 -17.994 -3.447 -6.738 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.197 -3.159 -6.149 1.00 1.71 N ATOM 0 H ARG A 7 -16.733 0.832 -11.868 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.930 -0.780 -13.014 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.478 -1.834 -11.235 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.908 -0.538 -10.136 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.295 -1.188 -10.239 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.939 -2.416 -11.438 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.943 -3.750 -9.541 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.248 -3.305 -9.558 1.00 0.54 H new ATOM 0 HE ARG A 7 -19.676 -1.301 -8.071 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -17.227 -3.288 -7.391 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -17.832 -3.973 -5.879 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -21.121 -2.778 -6.351 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.039 -3.685 -5.289 1.00 1.71 H new ATOM 119 N LYS A 8 -20.740 0.772 -12.434 1.00 0.27 N ATOM 120 CA LYS A 8 -21.872 1.658 -12.167 1.00 0.29 C ATOM 121 C LYS A 8 -23.024 0.809 -11.646 1.00 0.29 C ATOM 122 O LYS A 8 -23.737 0.177 -12.429 1.00 0.38 O ATOM 123 CB LYS A 8 -22.295 2.373 -13.455 1.00 0.36 C ATOM 124 CG LYS A 8 -23.197 3.577 -13.173 1.00 0.37 C ATOM 125 CD LYS A 8 -24.144 3.847 -14.349 1.00 0.50 C ATOM 126 CE LYS A 8 -25.536 3.257 -14.103 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.324 4.067 -13.128 1.00 1.02 N ATOM 0 H LYS A 8 -20.922 0.087 -13.168 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.593 2.412 -11.431 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.407 2.704 -13.994 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.819 1.671 -14.104 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.778 3.396 -12.269 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.584 4.459 -12.986 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.228 4.922 -14.509 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.724 3.420 -15.260 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.077 3.200 -15.047 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.437 2.238 -13.730 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.282 3.671 -13.042 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -25.856 4.045 -12.200 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.384 5.050 -13.462 1.00 1.02 H new ATOM 141 N HIS A 9 -23.200 0.777 -10.328 1.00 0.43 N ATOM 142 CA HIS A 9 -24.270 -0.018 -9.710 1.00 0.52 C ATOM 143 C HIS A 9 -25.626 0.650 -9.917 1.00 0.58 C ATOM 144 O HIS A 9 -26.019 1.538 -9.159 1.00 0.73 O ATOM 145 CB HIS A 9 -24.021 -0.270 -8.203 1.00 0.68 C ATOM 146 CG HIS A 9 -23.314 0.828 -7.459 1.00 0.88 C ATOM 147 ND1 HIS A 9 -22.666 0.615 -6.272 1.00 1.21 N ATOM 148 CD2 HIS A 9 -23.158 2.155 -7.710 1.00 1.22 C ATOM 149 CE1 HIS A 9 -22.144 1.725 -5.811 1.00 1.69 C ATOM 150 NE2 HIS A 9 -22.425 2.695 -6.669 1.00 1.75 N ATOM 0 H HIS A 9 -22.620 1.289 -9.664 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.270 -0.989 -10.206 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -24.982 -0.448 -7.721 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.438 -1.185 -8.099 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -22.598 -0.290 -5.807 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -23.538 2.691 -8.567 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -21.584 1.831 -4.894 1.00 1.69 H new ATOM 158 N GLU A 10 -26.340 0.191 -10.944 1.00 0.60 N ATOM 159 CA GLU A 10 -27.674 0.705 -11.266 1.00 0.73 C ATOM 160 C GLU A 10 -28.639 0.323 -10.142 1.00 0.83 C ATOM 161 O GLU A 10 -29.468 1.126 -9.718 1.00 1.00 O ATOM 162 CB GLU A 10 -28.151 0.111 -12.601 1.00 0.79 C ATOM 163 CG GLU A 10 -29.478 0.727 -13.075 1.00 1.28 C ATOM 164 CD GLU A 10 -29.223 1.861 -14.057 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.514 2.818 -13.695 1.00 1.52 O ATOM 166 OE2 GLU A 10 -29.736 1.796 -15.189 1.00 1.72 O ATOM 0 H GLU A 10 -26.014 -0.543 -11.573 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.640 1.790 -11.360 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.387 0.272 -13.361 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.272 -0.967 -12.494 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.092 -0.039 -13.548 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.038 1.100 -12.218 1.00 1.28 H new ATOM 173 N TRP A 11 -28.502 -0.911 -9.657 1.00 0.82 N ATOM 174 CA TRP A 11 -29.328 -1.431 -8.576 1.00 0.96 C ATOM 175 C TRP A 11 -28.499 -2.423 -7.755 1.00 0.94 C ATOM 176 O TRP A 11 -28.239 -3.551 -8.186 1.00 0.84 O ATOM 177 CB TRP A 11 -30.589 -2.091 -9.157 1.00 1.08 C ATOM 178 CG TRP A 11 -31.581 -2.505 -8.117 1.00 1.26 C ATOM 179 CD1 TRP A 11 -32.419 -1.695 -7.405 1.00 1.54 C ATOM 180 CD2 TRP A 11 -31.833 -3.844 -7.671 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.158 -2.470 -6.558 1.00 1.67 N ATOM 182 CE2 TRP A 11 -32.828 -3.780 -6.693 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.311 -5.089 -8.013 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.299 -4.906 -6.054 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -31.779 -6.223 -7.374 1.00 1.35 C ATOM 186 CH2 TRP A 11 -32.767 -6.133 -6.408 1.00 1.53 C ATOM 0 H TRP A 11 -27.813 -1.577 -10.006 1.00 0.82 H new ATOM 0 HA TRP A 11 -29.652 -0.623 -7.920 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.067 -1.396 -9.847 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.297 -2.966 -9.737 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -32.486 -0.621 -7.497 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -33.862 -2.113 -5.912 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.546 -5.169 -8.772 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.064 -4.833 -5.296 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.370 -7.189 -7.631 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.126 -7.030 -5.926 1.00 1.53 H new ATOM 197 N GLU A 12 -28.077 -1.973 -6.581 1.00 1.16 N ATOM 198 CA GLU A 12 -27.259 -2.768 -5.661 1.00 1.26 C ATOM 199 C GLU A 12 -27.692 -2.450 -4.229 1.00 1.56 C ATOM 200 O GLU A 12 -26.997 -1.735 -3.508 1.00 2.03 O ATOM 201 CB GLU A 12 -25.771 -2.420 -5.875 1.00 1.34 C ATOM 202 CG GLU A 12 -24.821 -3.328 -5.077 1.00 1.63 C ATOM 203 CD GLU A 12 -23.581 -2.551 -4.636 1.00 1.81 C ATOM 204 OE1 GLU A 12 -22.824 -2.087 -5.510 1.00 2.09 O ATOM 205 OE2 GLU A 12 -23.351 -2.414 -3.410 1.00 2.05 O ATOM 0 H GLU A 12 -28.292 -1.039 -6.233 1.00 1.16 H new ATOM 0 HA GLU A 12 -27.393 -3.834 -5.846 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -25.534 -2.499 -6.936 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -25.601 -1.383 -5.587 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -25.337 -3.726 -4.204 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -24.525 -4.181 -5.688 1.00 1.63 H new ATOM 212 N ALA A 13 -28.866 -2.960 -3.831 1.00 1.77 N ATOM 213 CA ALA A 13 -29.426 -2.715 -2.487 1.00 2.14 C ATOM 214 C ALA A 13 -29.661 -1.211 -2.264 1.00 2.15 C ATOM 215 O ALA A 13 -29.519 -0.701 -1.151 1.00 2.54 O ATOM 216 CB ALA A 13 -28.496 -3.280 -1.403 1.00 2.70 C ATOM 0 H ALA A 13 -29.452 -3.549 -4.422 1.00 1.77 H new ATOM 0 HA ALA A 13 -30.386 -3.227 -2.418 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -28.926 -3.090 -0.420 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -28.380 -4.354 -1.547 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -27.521 -2.798 -1.472 1.00 2.70 H new ATOM 222 N HIS A 14 -30.013 -0.517 -3.346 1.00 2.38 N ATOM 223 CA HIS A 14 -30.264 0.933 -3.323 1.00 2.81 C ATOM 224 C HIS A 14 -31.764 1.223 -3.343 1.00 2.77 C ATOM 225 O HIS A 14 -32.575 0.361 -3.699 1.00 3.31 O ATOM 226 CB HIS A 14 -29.597 1.596 -4.536 1.00 3.51 C ATOM 227 CG HIS A 14 -28.100 1.562 -4.480 1.00 3.99 C ATOM 228 ND1 HIS A 14 -27.303 1.753 -5.577 1.00 4.73 N ATOM 229 CD2 HIS A 14 -27.237 1.362 -3.453 1.00 4.33 C ATOM 230 CE1 HIS A 14 -26.037 1.679 -5.257 1.00 5.34 C ATOM 231 NE2 HIS A 14 -25.954 1.439 -3.961 1.00 5.13 N ATOM 0 H HIS A 14 -30.134 -0.940 -4.266 1.00 2.38 H new ATOM 0 HA HIS A 14 -29.842 1.341 -2.405 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -29.931 1.095 -5.445 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -29.928 2.632 -4.603 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -27.504 1.176 -2.423 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -25.204 1.794 -5.935 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -25.092 1.329 -3.427 1.00 5.13 H new ATOM 239 N ASN A 15 -32.119 2.447 -2.969 1.00 2.64 N ATOM 240 CA ASN A 15 -33.514 2.891 -2.933 1.00 2.83 C ATOM 241 C ASN A 15 -33.958 3.366 -4.321 1.00 2.48 C ATOM 242 O ASN A 15 -33.623 4.475 -4.748 1.00 2.96 O ATOM 243 CB ASN A 15 -33.676 4.018 -1.897 1.00 3.64 C ATOM 244 CG ASN A 15 -35.150 4.184 -1.518 1.00 4.19 C ATOM 245 OD1 ASN A 15 -35.746 3.290 -0.915 1.00 4.25 O ATOM 246 ND2 ASN A 15 -35.740 5.318 -1.865 1.00 4.99 N ATOM 0 H ASN A 15 -31.451 3.162 -2.682 1.00 2.64 H new ATOM 0 HA ASN A 15 -34.147 2.053 -2.641 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -33.088 3.791 -1.008 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -33.291 4.953 -2.304 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -36.721 5.474 -1.633 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -35.213 6.035 -2.364 1.00 4.99 H new ATOM 253 N LYS A 16 -34.718 2.513 -5.017 1.00 2.30 N ATOM 254 CA LYS A 16 -35.241 2.808 -6.361 1.00 2.46 C ATOM 255 C LYS A 16 -34.105 3.078 -7.366 1.00 2.10 C ATOM 256 O LYS A 16 -34.159 4.042 -8.132 1.00 2.44 O ATOM 257 CB LYS A 16 -36.207 4.002 -6.304 1.00 3.26 C ATOM 258 CG LYS A 16 -37.366 3.747 -5.332 1.00 3.87 C ATOM 259 CD LYS A 16 -38.275 4.972 -5.199 1.00 4.83 C ATOM 260 CE LYS A 16 -38.752 5.472 -6.563 1.00 5.52 C ATOM 261 NZ LYS A 16 -39.339 4.376 -7.392 1.00 6.03 N ATOM 0 H LYS A 16 -34.990 1.595 -4.665 1.00 2.30 H new ATOM 0 HA LYS A 16 -35.784 1.929 -6.709 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -35.664 4.895 -5.996 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -36.604 4.197 -7.300 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -37.951 2.896 -5.679 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -36.968 3.482 -4.353 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -39.137 4.720 -4.582 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -37.738 5.770 -4.686 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -39.496 6.256 -6.421 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -37.914 5.920 -7.097 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -40.136 4.749 -7.947 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -38.614 4.001 -8.036 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -39.677 3.614 -6.771 1.00 6.03 H new ATOM 275 N LYS A 17 -33.082 2.217 -7.343 1.00 1.88 N ATOM 276 CA LYS A 17 -31.907 2.323 -8.234 1.00 1.62 C ATOM 277 C LYS A 17 -31.015 3.516 -7.849 1.00 1.62 C ATOM 278 O LYS A 17 -31.348 4.302 -6.957 1.00 2.06 O ATOM 279 CB LYS A 17 -32.334 2.431 -9.711 1.00 1.84 C ATOM 280 CG LYS A 17 -33.254 1.279 -10.126 1.00 2.30 C ATOM 281 CD LYS A 17 -33.480 1.268 -11.639 1.00 2.75 C ATOM 282 CE LYS A 17 -33.161 -0.103 -12.243 1.00 3.27 C ATOM 283 NZ LYS A 17 -33.352 -0.117 -13.722 1.00 3.75 N ATOM 0 H LYS A 17 -33.039 1.422 -6.706 1.00 1.88 H new ATOM 0 HA LYS A 17 -31.326 1.409 -8.110 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -32.845 3.380 -9.872 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -31.448 2.434 -10.346 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -32.817 0.331 -9.814 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -34.211 1.372 -9.613 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -34.516 1.530 -11.855 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -32.854 2.028 -12.107 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -32.132 -0.373 -12.007 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -33.801 -0.858 -11.787 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -33.126 -1.062 -14.092 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -34.340 0.116 -13.947 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -32.723 0.586 -14.160 1.00 3.75 H new ATOM 297 N ALA A 18 -29.877 3.635 -8.532 1.00 1.43 N ATOM 298 CA ALA A 18 -28.917 4.714 -8.285 1.00 1.61 C ATOM 299 C ALA A 18 -28.325 5.203 -9.608 1.00 1.86 C ATOM 300 O ALA A 18 -28.090 4.411 -10.523 1.00 2.10 O ATOM 301 CB ALA A 18 -27.805 4.215 -7.361 1.00 1.58 C ATOM 0 H ALA A 18 -29.594 2.990 -9.270 1.00 1.43 H new ATOM 0 HA ALA A 18 -29.431 5.546 -7.804 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -27.093 5.021 -7.180 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -28.237 3.892 -6.413 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -27.291 3.376 -7.830 1.00 1.58 H new ATOM 307 N SER A 19 -28.081 6.507 -9.698 1.00 2.24 N ATOM 308 CA SER A 19 -27.509 7.119 -10.896 1.00 2.71 C ATOM 309 C SER A 19 -26.528 8.223 -10.491 1.00 2.85 C ATOM 310 O SER A 19 -25.392 7.925 -10.109 1.00 3.33 O ATOM 311 CB SER A 19 -28.628 7.660 -11.799 1.00 3.28 C ATOM 312 OG SER A 19 -29.362 6.589 -12.379 1.00 3.62 O ATOM 0 H SER A 19 -28.273 7.169 -8.946 1.00 2.24 H new ATOM 0 HA SER A 19 -26.960 6.369 -11.465 1.00 2.71 H new ATOM 0 HB2 SER A 19 -29.297 8.295 -11.218 1.00 3.28 H new ATOM 0 HB3 SER A 19 -28.200 8.283 -12.585 1.00 3.28 H new ATOM 0 HG SER A 19 -30.072 6.950 -12.950 1.00 3.62 H new ATOM 318 N SER A 20 -26.961 9.491 -10.574 1.00 2.92 N ATOM 319 CA SER A 20 -26.120 10.648 -10.222 1.00 3.46 C ATOM 320 C SER A 20 -24.787 10.606 -10.993 1.00 3.36 C ATOM 321 O SER A 20 -24.745 10.886 -12.195 1.00 3.74 O ATOM 322 CB SER A 20 -25.884 10.694 -8.703 1.00 4.13 C ATOM 323 OG SER A 20 -27.114 10.832 -8.003 1.00 4.31 O ATOM 0 H SER A 20 -27.899 9.743 -10.885 1.00 2.92 H new ATOM 0 HA SER A 20 -26.642 11.560 -10.511 1.00 3.46 H new ATOM 0 HB2 SER A 20 -25.378 9.784 -8.382 1.00 4.13 H new ATOM 0 HB3 SER A 20 -25.226 11.528 -8.458 1.00 4.13 H new ATOM 0 HG SER A 20 -26.941 10.857 -7.039 1.00 4.31 H new ATOM 329 N ARG A 21 -23.717 10.215 -10.298 1.00 3.28 N ATOM 330 CA ARG A 21 -22.383 10.083 -10.886 1.00 3.37 C ATOM 331 C ARG A 21 -21.661 8.906 -10.220 1.00 2.30 C ATOM 332 O ARG A 21 -20.443 8.929 -10.040 1.00 2.78 O ATOM 333 CB ARG A 21 -21.583 11.382 -10.695 1.00 4.44 C ATOM 334 CG ARG A 21 -22.032 12.469 -11.674 1.00 5.18 C ATOM 335 CD ARG A 21 -20.846 13.298 -12.170 1.00 5.89 C ATOM 336 NE ARG A 21 -20.181 13.969 -11.046 1.00 6.25 N ATOM 337 CZ ARG A 21 -20.621 15.126 -10.556 1.00 6.92 C ATOM 338 NH1 ARG A 21 -20.730 16.183 -11.356 1.00 7.30 N ATOM 339 NH2 ARG A 21 -20.944 15.221 -9.270 1.00 7.43 N ATOM 0 H ARG A 21 -23.752 9.980 -9.306 1.00 3.28 H new ATOM 0 HA ARG A 21 -22.472 9.897 -11.956 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -21.706 11.739 -9.673 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -20.521 11.180 -10.836 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -22.537 12.009 -12.524 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -22.756 13.122 -11.188 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -20.136 12.654 -12.688 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -21.189 14.039 -12.892 1.00 5.89 H new ATOM 0 HE ARG A 21 -19.357 13.536 -10.628 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -20.477 16.105 -12.341 1.00 7.30 H new ATOM 0 HH12 ARG A 21 -21.067 17.071 -10.984 1.00 7.30 H new ATOM 0 HH21 ARG A 21 -20.855 14.408 -8.660 1.00 7.43 H new ATOM 0 HH22 ARG A 21 -21.281 16.107 -8.893 1.00 7.43 H new ATOM 353 N SER A 22 -22.434 7.879 -9.850 1.00 1.32 N ATOM 354 CA SER A 22 -21.898 6.685 -9.190 1.00 0.74 C ATOM 355 C SER A 22 -21.122 5.814 -10.181 1.00 0.68 C ATOM 356 O SER A 22 -21.660 4.856 -10.737 1.00 1.69 O ATOM 357 CB SER A 22 -23.040 5.884 -8.561 1.00 1.62 C ATOM 358 OG SER A 22 -23.749 6.670 -7.608 1.00 1.86 O ATOM 0 H SER A 22 -23.443 7.852 -9.999 1.00 1.32 H new ATOM 0 HA SER A 22 -21.208 7.002 -8.407 1.00 0.74 H new ATOM 0 HB2 SER A 22 -23.724 5.545 -9.340 1.00 1.62 H new ATOM 0 HB3 SER A 22 -22.641 4.992 -8.078 1.00 1.62 H new ATOM 0 HG SER A 22 -24.402 7.235 -8.071 1.00 1.86 H new ATOM 364 N TRP A 23 -19.856 6.162 -10.378 1.00 0.69 N ATOM 365 CA TRP A 23 -18.946 5.446 -11.279 1.00 0.41 C ATOM 366 C TRP A 23 -17.624 5.229 -10.545 1.00 0.40 C ATOM 367 O TRP A 23 -16.836 6.164 -10.389 1.00 0.55 O ATOM 368 CB TRP A 23 -18.722 6.256 -12.575 1.00 0.43 C ATOM 369 CG TRP A 23 -19.748 5.967 -13.633 1.00 0.40 C ATOM 370 CD1 TRP A 23 -20.818 6.743 -13.990 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.796 4.800 -14.473 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.506 6.109 -14.991 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.912 4.923 -15.312 1.00 0.36 C ATOM 374 CE3 TRP A 23 -18.998 3.666 -14.588 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.239 3.944 -16.246 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.314 2.687 -15.515 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.425 2.823 -16.340 1.00 0.31 C ATOM 0 H TRP A 23 -19.422 6.959 -9.913 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.377 4.485 -11.561 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -18.741 7.320 -12.340 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.730 6.034 -12.969 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.077 7.697 -13.555 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.348 6.474 -15.436 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.132 3.549 -13.954 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.105 4.054 -16.882 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.691 1.809 -15.598 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.656 2.051 -17.059 1.00 0.31 H new ATOM 388 N HIS A 24 -17.403 4.001 -10.071 1.00 0.37 N ATOM 389 CA HIS A 24 -16.195 3.651 -9.321 1.00 0.45 C ATOM 390 C HIS A 24 -15.318 2.693 -10.132 1.00 0.36 C ATOM 391 O HIS A 24 -15.793 1.669 -10.630 1.00 0.34 O ATOM 392 CB HIS A 24 -16.604 3.003 -7.980 1.00 0.61 C ATOM 393 CG HIS A 24 -15.516 3.035 -6.948 1.00 1.18 C ATOM 394 ND1 HIS A 24 -15.584 3.754 -5.780 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.308 2.428 -6.913 1.00 1.66 C ATOM 396 CE1 HIS A 24 -14.489 3.606 -5.072 1.00 2.98 C ATOM 397 NE2 HIS A 24 -13.681 2.795 -5.739 1.00 2.74 N ATOM 0 H HIS A 24 -18.053 3.225 -10.195 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.616 4.554 -9.127 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.481 3.518 -7.589 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.895 1.968 -8.159 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -16.380 4.327 -5.500 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -13.905 1.772 -7.670 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -14.283 4.064 -4.116 1.00 2.98 H new ATOM 405 N ASN A 25 -14.028 3.021 -10.240 1.00 0.37 N ATOM 406 CA ASN A 25 -13.059 2.188 -10.962 1.00 0.35 C ATOM 407 C ASN A 25 -12.577 1.080 -10.024 1.00 0.34 C ATOM 408 O ASN A 25 -11.811 1.337 -9.090 1.00 0.55 O ATOM 409 CB ASN A 25 -11.876 3.045 -11.455 1.00 0.44 C ATOM 410 CG ASN A 25 -11.065 2.298 -12.519 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.566 2.008 -13.606 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.814 1.991 -12.212 1.00 1.49 N ATOM 0 H ASN A 25 -13.626 3.866 -9.833 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.530 1.743 -11.838 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.248 3.983 -11.868 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.232 3.301 -10.614 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.230 1.497 -12.887 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.435 2.248 -11.301 1.00 1.49 H new ATOM 419 N VAL A 26 -13.061 -0.137 -10.254 1.00 0.22 N ATOM 420 CA VAL A 26 -12.723 -1.292 -9.417 1.00 0.21 C ATOM 421 C VAL A 26 -11.935 -2.338 -10.218 1.00 0.18 C ATOM 422 O VAL A 26 -12.031 -2.407 -11.447 1.00 0.23 O ATOM 423 CB VAL A 26 -14.026 -1.886 -8.843 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.790 -2.696 -9.897 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.751 -2.736 -7.601 1.00 0.31 C ATOM 0 H VAL A 26 -13.696 -0.354 -11.022 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.082 -0.974 -8.595 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.657 -1.048 -8.546 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.702 -3.099 -9.456 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.047 -2.050 -10.736 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.165 -3.516 -10.249 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.690 -3.140 -7.221 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.082 -3.556 -7.862 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.285 -2.118 -6.833 1.00 0.31 H new ATOM 435 N TYR A 27 -11.163 -3.152 -9.503 1.00 0.16 N ATOM 436 CA TYR A 27 -10.353 -4.213 -10.109 1.00 0.16 C ATOM 437 C TYR A 27 -11.138 -5.525 -10.061 1.00 0.19 C ATOM 438 O TYR A 27 -11.342 -6.097 -8.988 1.00 0.34 O ATOM 439 CB TYR A 27 -9.024 -4.341 -9.352 1.00 0.17 C ATOM 440 CG TYR A 27 -7.945 -5.063 -10.129 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.906 -6.448 -10.144 1.00 0.26 C ATOM 442 CD2 TYR A 27 -6.988 -4.342 -10.821 1.00 0.28 C ATOM 443 CE1 TYR A 27 -6.910 -7.108 -10.847 1.00 0.30 C ATOM 444 CE2 TYR A 27 -5.992 -5.000 -11.520 1.00 0.33 C ATOM 445 CZ TYR A 27 -5.959 -6.379 -11.533 1.00 0.29 C ATOM 446 OH TYR A 27 -4.965 -7.030 -12.230 1.00 0.37 O ATOM 0 H TYR A 27 -11.079 -3.097 -8.488 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.132 -3.972 -11.149 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.667 -3.344 -9.093 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.200 -4.870 -8.415 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.653 -7.014 -9.607 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.019 -3.262 -10.815 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.878 -8.187 -10.858 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.242 -4.435 -12.054 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.379 -6.371 -12.657 1.00 0.37 H new ATOM 456 N CYS A 28 -11.597 -5.983 -11.220 1.00 0.16 N ATOM 457 CA CYS A 28 -12.386 -7.214 -11.312 1.00 0.19 C ATOM 458 C CYS A 28 -11.486 -8.431 -11.531 1.00 0.19 C ATOM 459 O CYS A 28 -10.646 -8.442 -12.433 1.00 0.23 O ATOM 460 CB CYS A 28 -13.401 -7.091 -12.452 1.00 0.23 C ATOM 461 SG CYS A 28 -14.480 -5.659 -12.254 1.00 0.34 S ATOM 0 H CYS A 28 -11.437 -5.521 -12.115 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.916 -7.357 -10.370 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.871 -7.015 -13.401 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.006 -7.996 -12.496 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.285 -5.857 -11.252 1.00 0.34 H new ATOM 467 N VAL A 29 -11.681 -9.450 -10.697 1.00 0.21 N ATOM 468 CA VAL A 29 -10.921 -10.703 -10.764 1.00 0.24 C ATOM 469 C VAL A 29 -11.897 -11.840 -11.044 1.00 0.26 C ATOM 470 O VAL A 29 -12.943 -11.923 -10.399 1.00 0.38 O ATOM 471 CB VAL A 29 -10.191 -10.950 -9.428 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.320 -12.213 -9.485 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.332 -9.745 -9.049 1.00 0.33 C ATOM 0 H VAL A 29 -12.375 -9.433 -9.949 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.175 -10.646 -11.557 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.955 -11.097 -8.665 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.821 -12.355 -8.526 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.947 -13.078 -9.699 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.572 -12.104 -10.270 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.826 -9.941 -8.104 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.590 -9.568 -9.827 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.966 -8.864 -8.945 1.00 0.33 H new ATOM 483 N ILE A 30 -11.560 -12.720 -11.986 1.00 0.28 N ATOM 484 CA ILE A 30 -12.424 -13.858 -12.328 1.00 0.32 C ATOM 485 C ILE A 30 -11.800 -15.165 -11.833 1.00 0.35 C ATOM 486 O ILE A 30 -10.579 -15.342 -11.865 1.00 0.44 O ATOM 487 CB ILE A 30 -12.669 -13.933 -13.846 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.028 -12.549 -14.409 1.00 0.47 C ATOM 489 CG2 ILE A 30 -13.785 -14.939 -14.160 1.00 0.50 C ATOM 490 CD1 ILE A 30 -13.557 -12.644 -15.840 1.00 0.57 C ATOM 0 H ILE A 30 -10.697 -12.670 -12.527 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.385 -13.711 -11.834 1.00 0.32 H new ATOM 0 HB ILE A 30 -11.749 -14.271 -14.323 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -13.779 -12.080 -13.773 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.147 -11.907 -14.388 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -13.946 -14.980 -15.237 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.497 -15.926 -13.798 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -14.706 -14.626 -13.668 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -13.800 -11.646 -16.205 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -12.796 -13.089 -16.481 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.453 -13.265 -15.856 1.00 0.57 H new ATOM 502 N ASN A 31 -12.656 -16.075 -11.388 1.00 0.46 N ATOM 503 CA ASN A 31 -12.248 -17.387 -10.888 1.00 0.58 C ATOM 504 C ASN A 31 -13.281 -18.412 -11.364 1.00 0.71 C ATOM 505 O ASN A 31 -14.026 -18.984 -10.568 1.00 1.20 O ATOM 506 CB ASN A 31 -12.159 -17.354 -9.348 1.00 0.73 C ATOM 507 CG ASN A 31 -11.464 -18.604 -8.803 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.253 -18.767 -8.954 1.00 1.27 O ATOM 509 ND2 ASN A 31 -12.225 -19.488 -8.175 1.00 1.47 N ATOM 0 H ASN A 31 -13.664 -15.924 -11.363 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.264 -17.661 -11.267 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.613 -16.465 -9.032 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -13.161 -17.279 -8.925 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -11.811 -20.340 -7.796 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -13.225 -19.317 -8.070 1.00 1.47 H new ATOM 516 N ASN A 32 -13.331 -18.602 -12.686 1.00 0.85 N ATOM 517 CA ASN A 32 -14.277 -19.524 -13.334 1.00 1.00 C ATOM 518 C ASN A 32 -15.717 -18.983 -13.208 1.00 1.00 C ATOM 519 O ASN A 32 -16.002 -17.881 -13.682 1.00 1.97 O ATOM 520 CB ASN A 32 -14.138 -20.950 -12.755 1.00 1.24 C ATOM 521 CG ASN A 32 -14.788 -21.987 -13.682 1.00 1.73 C ATOM 522 OD1 ASN A 32 -14.988 -21.740 -14.872 1.00 2.06 O ATOM 523 ND2 ASN A 32 -15.111 -23.147 -13.137 1.00 2.52 N ATOM 0 H ASN A 32 -12.716 -18.120 -13.342 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.040 -19.588 -14.396 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.083 -21.190 -12.619 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.605 -20.994 -11.771 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -15.542 -23.876 -13.706 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -14.929 -23.314 -12.147 1.00 2.52 H new ATOM 530 N GLN A 33 -16.621 -19.735 -12.567 1.00 0.75 N ATOM 531 CA GLN A 33 -18.020 -19.297 -12.396 1.00 0.67 C ATOM 532 C GLN A 33 -18.173 -18.393 -11.166 1.00 0.56 C ATOM 533 O GLN A 33 -19.254 -18.361 -10.532 1.00 0.71 O ATOM 534 CB GLN A 33 -18.945 -20.510 -12.265 1.00 0.83 C ATOM 535 CG GLN A 33 -18.710 -21.519 -13.390 1.00 1.46 C ATOM 536 CD GLN A 33 -19.877 -22.499 -13.474 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.113 -23.276 -12.551 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.613 -22.459 -14.571 1.00 2.67 N ATOM 0 H GLN A 33 -16.414 -20.646 -12.158 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.300 -18.724 -13.280 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.779 -20.993 -11.302 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.984 -20.180 -12.282 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -18.597 -20.996 -14.339 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -17.782 -22.062 -13.213 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.384 -21.799 -15.315 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -21.410 -23.088 -14.674 1.00 2.67 H new ATOM 547 N GLU A 34 -17.093 -17.657 -10.844 1.00 0.53 N ATOM 548 CA GLU A 34 -17.064 -16.737 -9.707 1.00 0.49 C ATOM 549 C GLU A 34 -16.161 -15.549 -10.037 1.00 0.45 C ATOM 550 O GLU A 34 -15.270 -15.652 -10.882 1.00 0.64 O ATOM 551 CB GLU A 34 -16.523 -17.446 -8.450 1.00 0.61 C ATOM 552 CG GLU A 34 -17.365 -18.667 -8.064 1.00 1.25 C ATOM 553 CD GLU A 34 -16.845 -19.279 -6.769 1.00 1.42 C ATOM 554 OE1 GLU A 34 -16.882 -18.598 -5.722 1.00 1.79 O ATOM 555 OE2 GLU A 34 -16.409 -20.448 -6.795 1.00 1.89 O ATOM 0 H GLU A 34 -16.219 -17.688 -11.369 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.080 -16.394 -9.511 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -15.494 -17.758 -8.626 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.505 -16.742 -7.618 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.408 -18.375 -7.943 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.332 -19.407 -8.863 1.00 1.25 H new ATOM 562 N MET A 35 -16.373 -14.434 -9.352 1.00 0.36 N ATOM 563 CA MET A 35 -15.557 -13.237 -9.548 1.00 0.35 C ATOM 564 C MET A 35 -15.517 -12.417 -8.260 1.00 0.32 C ATOM 565 O MET A 35 -16.368 -12.575 -7.379 1.00 0.42 O ATOM 566 CB MET A 35 -16.068 -12.396 -10.734 1.00 0.41 C ATOM 567 CG MET A 35 -17.461 -11.809 -10.506 1.00 0.43 C ATOM 568 SD MET A 35 -17.924 -10.664 -11.820 1.00 0.60 S ATOM 569 CE MET A 35 -19.483 -10.015 -11.204 1.00 1.25 C ATOM 0 H MET A 35 -17.107 -14.330 -8.651 1.00 0.36 H new ATOM 0 HA MET A 35 -14.541 -13.547 -9.792 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.366 -11.584 -10.923 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.086 -13.017 -11.630 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.192 -12.616 -10.452 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.486 -11.292 -9.547 1.00 0.43 H new ATOM 0 HE1 MET A 35 -19.733 -9.099 -11.739 1.00 1.25 H new ATOM 0 HE2 MET A 35 -20.271 -10.752 -11.359 1.00 1.25 H new ATOM 0 HE3 MET A 35 -19.392 -9.800 -10.139 1.00 1.25 H new ATOM 579 N GLY A 36 -14.514 -11.555 -8.148 1.00 0.27 N ATOM 580 CA GLY A 36 -14.337 -10.714 -6.968 1.00 0.29 C ATOM 581 C GLY A 36 -13.954 -9.293 -7.363 1.00 0.25 C ATOM 582 O GLY A 36 -13.193 -9.083 -8.313 1.00 0.28 O ATOM 0 H GLY A 36 -13.804 -11.419 -8.867 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -15.259 -10.698 -6.387 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.564 -11.138 -6.327 1.00 0.29 H new ATOM 586 N PHE A 37 -14.489 -8.325 -6.623 1.00 0.24 N ATOM 587 CA PHE A 37 -14.228 -6.903 -6.859 1.00 0.25 C ATOM 588 C PHE A 37 -13.204 -6.394 -5.845 1.00 0.25 C ATOM 589 O PHE A 37 -13.525 -6.214 -4.669 1.00 0.40 O ATOM 590 CB PHE A 37 -15.537 -6.113 -6.730 1.00 0.30 C ATOM 591 CG PHE A 37 -16.563 -6.489 -7.777 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.360 -6.137 -9.101 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.711 -7.183 -7.415 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.296 -6.477 -10.059 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.647 -7.521 -8.377 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.441 -7.167 -9.697 1.00 0.33 C ATOM 0 H PHE A 37 -15.118 -8.503 -5.840 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.828 -6.767 -7.864 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.959 -6.281 -5.739 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.321 -5.048 -6.808 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.469 -5.596 -9.385 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.873 -7.459 -6.383 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.134 -6.204 -11.091 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.539 -8.062 -8.096 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.173 -7.429 -10.447 1.00 0.33 H new ATOM 606 N TYR A 38 -11.972 -6.180 -6.302 1.00 0.20 N ATOM 607 CA TYR A 38 -10.879 -5.711 -5.439 1.00 0.21 C ATOM 608 C TYR A 38 -10.493 -4.267 -5.771 1.00 0.21 C ATOM 609 O TYR A 38 -11.009 -3.670 -6.719 1.00 0.23 O ATOM 610 CB TYR A 38 -9.673 -6.644 -5.595 1.00 0.23 C ATOM 611 CG TYR A 38 -9.953 -8.031 -5.062 1.00 0.27 C ATOM 612 CD1 TYR A 38 -10.538 -8.983 -5.877 1.00 0.27 C ATOM 613 CD2 TYR A 38 -9.638 -8.345 -3.752 1.00 0.42 C ATOM 614 CE1 TYR A 38 -10.805 -10.249 -5.385 1.00 0.35 C ATOM 615 CE2 TYR A 38 -9.909 -9.611 -3.258 1.00 0.50 C ATOM 616 CZ TYR A 38 -10.490 -10.558 -4.076 1.00 0.44 C ATOM 617 OH TYR A 38 -10.760 -11.818 -3.590 1.00 0.55 O ATOM 0 H TYR A 38 -11.700 -6.324 -7.274 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.217 -5.728 -4.403 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.400 -6.709 -6.648 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.817 -6.220 -5.069 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -10.787 -8.738 -6.899 1.00 0.27 H new ATOM 0 HD2 TYR A 38 -9.181 -7.603 -3.114 1.00 0.42 H new ATOM 0 HE1 TYR A 38 -11.258 -10.993 -6.023 1.00 0.35 H new ATOM 0 HE2 TYR A 38 -9.666 -9.856 -2.235 1.00 0.50 H new ATOM 0 HH TYR A 38 -10.478 -11.875 -2.653 1.00 0.55 H new ATOM 627 N LYS A 39 -9.591 -3.700 -4.969 1.00 0.25 N ATOM 628 CA LYS A 39 -9.141 -2.314 -5.151 1.00 0.29 C ATOM 629 C LYS A 39 -8.211 -2.177 -6.362 1.00 0.28 C ATOM 630 O LYS A 39 -8.427 -1.327 -7.224 1.00 0.33 O ATOM 631 CB LYS A 39 -8.428 -1.838 -3.876 1.00 0.36 C ATOM 632 CG LYS A 39 -8.408 -0.314 -3.774 1.00 0.70 C ATOM 633 CD LYS A 39 -7.903 0.139 -2.403 1.00 1.15 C ATOM 634 CE LYS A 39 -7.504 1.616 -2.415 1.00 1.82 C ATOM 635 NZ LYS A 39 -6.059 1.795 -2.726 1.00 2.51 N ATOM 0 H LYS A 39 -9.154 -4.180 -4.182 1.00 0.25 H new ATOM 0 HA LYS A 39 -10.015 -1.691 -5.338 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.929 -2.254 -3.002 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.406 -2.217 -3.868 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.768 0.098 -4.555 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.411 0.078 -3.944 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.680 -0.024 -1.656 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -7.047 -0.468 -2.110 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -8.104 2.149 -3.153 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -7.725 2.060 -1.444 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -5.827 2.809 -2.725 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -5.486 1.308 -2.007 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -5.853 1.394 -3.663 1.00 2.51 H new ATOM 649 N ASP A 40 -7.172 -3.010 -6.410 1.00 0.28 N ATOM 650 CA ASP A 40 -6.189 -2.985 -7.503 1.00 0.32 C ATOM 651 C ASP A 40 -5.517 -4.354 -7.648 1.00 0.33 C ATOM 652 O ASP A 40 -5.937 -5.333 -7.021 1.00 0.32 O ATOM 653 CB ASP A 40 -5.138 -1.878 -7.258 1.00 0.38 C ATOM 654 CG ASP A 40 -4.230 -2.175 -6.057 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.614 -3.011 -5.214 1.00 0.84 O ATOM 656 OD2 ASP A 40 -3.131 -1.590 -5.958 1.00 0.94 O ATOM 0 H ASP A 40 -6.985 -3.718 -5.700 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.708 -2.760 -8.435 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.525 -1.762 -8.151 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.648 -0.929 -7.096 1.00 0.38 H new ATOM 661 N ALA A 41 -4.467 -4.416 -8.473 1.00 0.40 N ATOM 662 CA ALA A 41 -3.720 -5.662 -8.709 1.00 0.45 C ATOM 663 C ALA A 41 -3.068 -6.176 -7.417 1.00 0.45 C ATOM 664 O ALA A 41 -2.953 -7.383 -7.208 1.00 0.47 O ATOM 665 CB ALA A 41 -2.653 -5.438 -9.784 1.00 0.55 C ATOM 0 H ALA A 41 -4.111 -3.614 -8.993 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.425 -6.418 -9.053 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.105 -6.365 -9.952 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.132 -5.126 -10.712 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.961 -4.663 -9.454 1.00 0.55 H new ATOM 671 N LYS A 42 -2.660 -5.249 -6.546 1.00 0.46 N ATOM 672 CA LYS A 42 -2.034 -5.590 -5.262 1.00 0.48 C ATOM 673 C LYS A 42 -3.079 -6.159 -4.297 1.00 0.43 C ATOM 674 O LYS A 42 -2.865 -7.207 -3.686 1.00 0.47 O ATOM 675 CB LYS A 42 -1.368 -4.345 -4.660 1.00 0.54 C ATOM 676 CG LYS A 42 -0.061 -3.997 -5.379 1.00 0.77 C ATOM 677 CD LYS A 42 -0.308 -3.272 -6.711 1.00 1.12 C ATOM 678 CE LYS A 42 0.325 -1.878 -6.721 1.00 1.96 C ATOM 679 NZ LYS A 42 -0.531 -0.875 -6.020 1.00 2.76 N ATOM 0 H LYS A 42 -2.753 -4.246 -6.708 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.271 -6.350 -5.429 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.054 -3.500 -4.722 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -1.167 -4.515 -3.602 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.551 -3.368 -4.733 1.00 0.77 H new ATOM 0 HG3 LYS A 42 0.505 -4.910 -5.564 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.102 -3.864 -7.529 1.00 1.12 H new ATOM 0 HD3 LYS A 42 -1.381 -3.186 -6.886 1.00 1.12 H new ATOM 0 HE2 LYS A 42 1.303 -1.920 -6.242 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.488 -1.560 -7.751 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 -0.794 -0.119 -6.684 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 -1.391 -1.340 -5.666 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 -0.004 -0.467 -5.221 1.00 2.76 H new ATOM 693 N SER A 43 -4.219 -5.473 -4.181 1.00 0.38 N ATOM 694 CA SER A 43 -5.316 -5.909 -3.306 1.00 0.38 C ATOM 695 C SER A 43 -5.918 -7.232 -3.803 1.00 0.39 C ATOM 696 O SER A 43 -6.360 -8.061 -3.003 1.00 0.45 O ATOM 697 CB SER A 43 -6.384 -4.821 -3.233 1.00 0.37 C ATOM 698 OG SER A 43 -5.786 -3.566 -2.920 1.00 1.04 O ATOM 0 H SER A 43 -4.409 -4.607 -4.685 1.00 0.38 H new ATOM 0 HA SER A 43 -4.920 -6.079 -2.305 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.911 -4.754 -4.185 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.125 -5.078 -2.476 1.00 0.37 H new ATOM 0 HG SER A 43 -5.355 -3.200 -3.721 1.00 1.04 H new ATOM 704 N ALA A 44 -5.908 -7.428 -5.127 1.00 0.37 N ATOM 705 CA ALA A 44 -6.424 -8.653 -5.749 1.00 0.43 C ATOM 706 C ALA A 44 -5.464 -9.822 -5.491 1.00 0.51 C ATOM 707 O ALA A 44 -5.893 -10.926 -5.161 1.00 0.59 O ATOM 708 CB ALA A 44 -6.604 -8.440 -7.258 1.00 0.43 C ATOM 0 H ALA A 44 -5.545 -6.747 -5.793 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.392 -8.891 -5.308 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.987 -9.354 -7.711 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.309 -7.627 -7.429 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.643 -8.188 -7.707 1.00 0.43 H new ATOM 714 N ALA A 45 -4.158 -9.562 -5.637 1.00 0.54 N ATOM 715 CA ALA A 45 -3.116 -10.578 -5.415 1.00 0.64 C ATOM 716 C ALA A 45 -3.021 -10.953 -3.929 1.00 0.68 C ATOM 717 O ALA A 45 -2.886 -12.130 -3.586 1.00 0.76 O ATOM 718 CB ALA A 45 -1.767 -10.051 -5.908 1.00 0.69 C ATOM 0 H ALA A 45 -3.794 -8.649 -5.910 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.383 -11.474 -5.976 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.999 -10.806 -5.742 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.831 -9.827 -6.973 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.509 -9.144 -5.361 1.00 0.69 H new ATOM 724 N SER A 46 -3.099 -9.945 -3.059 1.00 0.65 N ATOM 725 CA SER A 46 -3.033 -10.149 -1.606 1.00 0.73 C ATOM 726 C SER A 46 -4.329 -10.808 -1.103 1.00 0.74 C ATOM 727 O SER A 46 -4.299 -11.654 -0.209 1.00 0.84 O ATOM 728 CB SER A 46 -2.803 -8.803 -0.897 1.00 0.75 C ATOM 729 OG SER A 46 -2.277 -8.991 0.412 1.00 1.21 O ATOM 0 H SER A 46 -3.209 -8.970 -3.336 1.00 0.65 H new ATOM 0 HA SER A 46 -2.198 -10.811 -1.378 1.00 0.73 H new ATOM 0 HB2 SER A 46 -2.115 -8.194 -1.483 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.744 -8.255 -0.838 1.00 0.75 H new ATOM 0 HG SER A 46 -2.139 -8.119 0.838 1.00 1.21 H new ATOM 735 N GLY A 47 -5.464 -10.420 -1.693 1.00 0.70 N ATOM 736 CA GLY A 47 -6.774 -10.966 -1.323 1.00 0.74 C ATOM 737 C GLY A 47 -7.392 -10.169 -0.176 1.00 0.75 C ATOM 738 O GLY A 47 -7.690 -10.722 0.886 1.00 0.88 O ATOM 0 H GLY A 47 -5.501 -9.723 -2.436 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.439 -10.944 -2.186 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.668 -12.010 -1.030 1.00 0.74 H new ATOM 742 N ILE A 48 -7.577 -8.866 -0.401 1.00 0.67 N ATOM 743 CA ILE A 48 -8.154 -7.959 0.598 1.00 0.72 C ATOM 744 C ILE A 48 -9.644 -7.729 0.304 1.00 0.75 C ATOM 745 O ILE A 48 -10.015 -7.406 -0.827 1.00 0.75 O ATOM 746 CB ILE A 48 -7.396 -6.619 0.580 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.880 -6.865 0.515 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.749 -5.777 1.811 1.00 0.82 C ATOM 749 CD1 ILE A 48 -5.087 -5.565 0.649 1.00 0.97 C ATOM 0 H ILE A 48 -7.332 -8.409 -1.279 1.00 0.67 H new ATOM 0 HA ILE A 48 -8.059 -8.409 1.586 1.00 0.72 H new ATOM 0 HB ILE A 48 -7.699 -6.066 -0.309 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.589 -7.552 1.310 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.630 -7.347 -0.430 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -7.202 -4.835 1.777 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.820 -5.574 1.818 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.477 -6.322 2.715 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -4.020 -5.783 0.598 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -5.358 -4.888 -0.161 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -5.316 -5.096 1.606 1.00 0.97 H new ATOM 761 N PRO A 49 -10.520 -7.889 1.320 1.00 0.84 N ATOM 762 CA PRO A 49 -11.976 -7.691 1.157 1.00 0.93 C ATOM 763 C PRO A 49 -12.345 -6.207 1.015 1.00 0.93 C ATOM 764 O PRO A 49 -12.125 -5.412 1.932 1.00 1.08 O ATOM 765 CB PRO A 49 -12.573 -8.296 2.429 1.00 1.07 C ATOM 766 CG PRO A 49 -11.485 -8.229 3.453 1.00 1.06 C ATOM 767 CD PRO A 49 -10.172 -8.268 2.704 1.00 0.92 C ATOM 0 HA PRO A 49 -12.355 -8.158 0.248 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.452 -7.739 2.753 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.892 -9.325 2.262 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.566 -7.316 4.043 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.558 -9.065 4.148 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.449 -7.575 3.135 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.723 -9.261 2.742 1.00 0.92 H new ATOM 775 N TYR A 50 -12.897 -5.842 -0.146 1.00 0.87 N ATOM 776 CA TYR A 50 -13.294 -4.457 -0.433 1.00 0.91 C ATOM 777 C TYR A 50 -14.710 -4.165 0.099 1.00 1.12 C ATOM 778 O TYR A 50 -15.196 -4.844 1.006 1.00 1.91 O ATOM 779 CB TYR A 50 -13.210 -4.204 -1.952 1.00 0.92 C ATOM 780 CG TYR A 50 -12.986 -2.748 -2.301 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.879 -2.080 -1.805 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.889 -2.077 -3.111 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.678 -0.749 -2.114 1.00 1.13 C ATOM 784 CE2 TYR A 50 -13.683 -0.745 -3.421 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.579 -0.086 -2.920 1.00 1.17 C ATOM 786 OH TYR A 50 -12.376 1.239 -3.221 1.00 1.34 O ATOM 0 H TYR A 50 -13.081 -6.492 -0.910 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.610 -3.779 0.078 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -12.398 -4.800 -2.369 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -14.132 -4.546 -2.423 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.172 -2.600 -1.176 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -14.753 -2.594 -3.500 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.816 -0.228 -1.725 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -14.385 -0.222 -4.054 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.865 1.467 -4.039 1.00 1.34 H new ATOM 796 N HIS A 51 -15.355 -3.141 -0.466 1.00 1.28 N ATOM 797 CA HIS A 51 -16.710 -2.725 -0.059 1.00 1.53 C ATOM 798 C HIS A 51 -17.720 -2.965 -1.188 1.00 1.61 C ATOM 799 O HIS A 51 -17.341 -3.131 -2.348 1.00 2.07 O ATOM 800 CB HIS A 51 -16.712 -1.230 0.304 1.00 2.01 C ATOM 801 CG HIS A 51 -16.140 -0.933 1.659 1.00 2.54 C ATOM 802 ND1 HIS A 51 -16.915 -0.648 2.752 1.00 3.19 N ATOM 803 CD2 HIS A 51 -14.860 -0.861 2.109 1.00 2.89 C ATOM 804 CE1 HIS A 51 -16.173 -0.413 3.807 1.00 3.87 C ATOM 805 NE2 HIS A 51 -14.903 -0.532 3.452 1.00 3.74 N ATOM 0 H HIS A 51 -14.959 -2.575 -1.217 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.999 -3.320 0.807 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.143 -0.683 -0.448 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.736 -0.857 0.263 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -13.969 -1.030 1.523 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -16.535 -0.165 4.794 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -14.096 -0.403 4.063 1.00 3.74 H new ATOM 813 N SER A 52 -19.009 -2.951 -0.830 1.00 1.60 N ATOM 814 CA SER A 52 -20.124 -3.134 -1.782 1.00 1.96 C ATOM 815 C SER A 52 -20.098 -4.522 -2.443 1.00 1.85 C ATOM 816 O SER A 52 -19.902 -4.630 -3.656 1.00 2.45 O ATOM 817 CB SER A 52 -20.097 -2.032 -2.855 1.00 2.44 C ATOM 818 OG SER A 52 -20.108 -0.735 -2.260 1.00 2.65 O ATOM 0 H SER A 52 -19.316 -2.812 0.133 1.00 1.60 H new ATOM 0 HA SER A 52 -21.052 -3.061 -1.214 1.00 1.96 H new ATOM 0 HB2 SER A 52 -19.207 -2.144 -3.474 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.958 -2.141 -3.514 1.00 2.44 H new ATOM 0 HG SER A 52 -20.089 -0.052 -2.963 1.00 2.65 H new ATOM 824 N GLU A 53 -20.337 -5.569 -1.639 1.00 1.45 N ATOM 825 CA GLU A 53 -20.382 -6.967 -2.104 1.00 1.37 C ATOM 826 C GLU A 53 -19.119 -7.336 -2.904 1.00 1.08 C ATOM 827 O GLU A 53 -19.078 -7.186 -4.129 1.00 1.24 O ATOM 828 CB GLU A 53 -21.660 -7.181 -2.927 1.00 1.73 C ATOM 829 CG GLU A 53 -22.655 -8.089 -2.198 1.00 2.39 C ATOM 830 CD GLU A 53 -23.215 -7.392 -0.964 1.00 2.88 C ATOM 831 OE1 GLU A 53 -24.125 -6.554 -1.105 1.00 3.23 O ATOM 832 OE2 GLU A 53 -22.743 -7.675 0.153 1.00 3.46 O ATOM 0 H GLU A 53 -20.506 -5.470 -0.638 1.00 1.45 H new ATOM 0 HA GLU A 53 -20.403 -7.631 -1.240 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -22.128 -6.218 -3.131 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.403 -7.621 -3.891 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -23.469 -8.359 -2.871 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -22.162 -9.016 -1.906 1.00 2.39 H new ATOM 839 N VAL A 54 -18.086 -7.797 -2.196 1.00 0.84 N ATOM 840 CA VAL A 54 -16.802 -8.166 -2.820 1.00 0.66 C ATOM 841 C VAL A 54 -16.914 -9.443 -3.671 1.00 0.55 C ATOM 842 O VAL A 54 -16.478 -9.448 -4.822 1.00 0.49 O ATOM 843 CB VAL A 54 -15.693 -8.336 -1.757 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.328 -7.984 -2.343 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.960 -7.483 -0.517 1.00 1.34 C ATOM 0 H VAL A 54 -18.109 -7.926 -1.184 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.533 -7.345 -3.484 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.695 -9.383 -1.454 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.561 -8.110 -1.579 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.113 -8.642 -3.185 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -14.334 -6.949 -2.684 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -15.158 -7.631 0.206 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -16.003 -6.432 -0.801 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -16.910 -7.777 -0.070 1.00 1.34 H new ATOM 855 N PRO A 55 -17.481 -10.549 -3.128 1.00 0.62 N ATOM 856 CA PRO A 55 -17.612 -11.818 -3.860 1.00 0.59 C ATOM 857 C PRO A 55 -18.937 -11.925 -4.628 1.00 0.58 C ATOM 858 O PRO A 55 -19.999 -11.596 -4.097 1.00 0.83 O ATOM 859 CB PRO A 55 -17.533 -12.864 -2.745 1.00 0.76 C ATOM 860 CG PRO A 55 -17.978 -12.168 -1.487 1.00 0.87 C ATOM 861 CD PRO A 55 -18.034 -10.679 -1.767 1.00 0.83 C ATOM 0 HA PRO A 55 -16.847 -11.934 -4.628 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -18.174 -13.718 -2.966 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.518 -13.246 -2.641 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.956 -12.534 -1.175 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -17.285 -12.376 -0.671 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -19.055 -10.301 -1.714 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -17.447 -10.115 -1.042 1.00 0.83 H new ATOM 869 N VAL A 56 -18.864 -12.389 -5.877 1.00 0.41 N ATOM 870 CA VAL A 56 -20.045 -12.547 -6.731 1.00 0.43 C ATOM 871 C VAL A 56 -19.879 -13.789 -7.617 1.00 0.42 C ATOM 872 O VAL A 56 -18.779 -14.083 -8.093 1.00 0.43 O ATOM 873 CB VAL A 56 -20.230 -11.280 -7.580 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.147 -11.536 -8.776 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.790 -10.141 -6.727 1.00 0.63 C ATOM 0 H VAL A 56 -17.990 -12.665 -6.324 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.935 -12.685 -6.117 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.250 -10.993 -7.960 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.255 -10.618 -9.354 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -20.715 -12.313 -9.406 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.126 -11.859 -8.421 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.915 -9.251 -7.344 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.755 -10.435 -6.316 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -20.100 -9.923 -5.912 1.00 0.63 H new ATOM 885 N SER A 57 -20.978 -14.517 -7.826 1.00 0.47 N ATOM 886 CA SER A 57 -20.996 -15.726 -8.634 1.00 0.48 C ATOM 887 C SER A 57 -21.423 -15.400 -10.072 1.00 0.46 C ATOM 888 O SER A 57 -22.322 -14.585 -10.293 1.00 0.59 O ATOM 889 CB SER A 57 -21.984 -16.721 -8.010 1.00 0.61 C ATOM 890 OG SER A 57 -22.298 -16.383 -6.660 1.00 0.91 O ATOM 0 H SER A 57 -21.888 -14.276 -7.432 1.00 0.47 H new ATOM 0 HA SER A 57 -19.997 -16.160 -8.662 1.00 0.48 H new ATOM 0 HB2 SER A 57 -22.900 -16.743 -8.601 1.00 0.61 H new ATOM 0 HB3 SER A 57 -21.559 -17.724 -8.044 1.00 0.61 H new ATOM 0 HG SER A 57 -22.931 -17.038 -6.297 1.00 0.91 H new ATOM 896 N LEU A 58 -20.793 -16.063 -11.044 1.00 0.44 N ATOM 897 CA LEU A 58 -21.115 -15.875 -12.469 1.00 0.49 C ATOM 898 C LEU A 58 -21.854 -17.103 -13.000 1.00 0.60 C ATOM 899 O LEU A 58 -21.491 -17.674 -14.030 1.00 0.89 O ATOM 900 CB LEU A 58 -19.837 -15.626 -13.278 1.00 0.67 C ATOM 901 CG LEU A 58 -19.241 -14.254 -12.972 1.00 0.70 C ATOM 902 CD1 LEU A 58 -17.950 -14.045 -13.758 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.241 -13.139 -13.282 1.00 0.60 C ATOM 0 H LEU A 58 -20.050 -16.741 -10.873 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.760 -15.003 -12.574 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.105 -16.401 -13.052 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.059 -15.698 -14.343 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.011 -14.216 -11.907 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.539 -13.062 -13.528 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.228 -14.814 -13.483 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.160 -14.110 -14.826 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -19.791 -12.173 -13.055 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.510 -13.175 -14.338 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.136 -13.274 -12.675 1.00 0.60 H new ATOM 915 N LYS A 59 -22.902 -17.493 -12.281 1.00 0.70 N ATOM 916 CA LYS A 59 -23.733 -18.643 -12.648 1.00 0.90 C ATOM 917 C LYS A 59 -24.914 -18.150 -13.484 1.00 0.87 C ATOM 918 O LYS A 59 -25.886 -17.612 -12.942 1.00 0.95 O ATOM 919 CB LYS A 59 -24.216 -19.373 -11.378 1.00 1.13 C ATOM 920 CG LYS A 59 -24.119 -20.893 -11.524 1.00 1.41 C ATOM 921 CD LYS A 59 -25.191 -21.444 -12.471 1.00 1.78 C ATOM 922 CE LYS A 59 -25.602 -22.870 -12.086 1.00 2.18 C ATOM 923 NZ LYS A 59 -26.270 -23.569 -13.216 1.00 2.83 N ATOM 0 H LYS A 59 -23.202 -17.023 -11.427 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.152 -19.352 -13.238 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.619 -19.051 -10.525 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.248 -19.093 -11.169 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -23.131 -21.160 -11.899 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -24.225 -21.360 -10.545 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -26.066 -20.794 -12.450 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -24.813 -21.437 -13.493 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -24.721 -23.433 -11.778 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -26.274 -22.837 -11.229 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.595 -24.505 -12.901 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -27.085 -23.009 -13.537 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -25.597 -23.682 -14.001 1.00 2.83 H new ATOM 937 N GLU A 60 -24.808 -18.317 -14.803 1.00 0.89 N ATOM 938 CA GLU A 60 -25.838 -17.887 -15.759 1.00 0.93 C ATOM 939 C GLU A 60 -26.040 -16.368 -15.689 1.00 0.71 C ATOM 940 O GLU A 60 -27.155 -15.882 -15.479 1.00 0.82 O ATOM 941 CB GLU A 60 -27.164 -18.630 -15.510 1.00 1.20 C ATOM 942 CG GLU A 60 -27.005 -20.142 -15.704 1.00 1.43 C ATOM 943 CD GLU A 60 -28.180 -20.891 -15.086 1.00 1.80 C ATOM 944 OE1 GLU A 60 -29.326 -20.419 -15.214 1.00 2.04 O ATOM 945 OE2 GLU A 60 -27.961 -21.948 -14.463 1.00 2.33 O ATOM 0 H GLU A 60 -24.001 -18.757 -15.244 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.497 -18.139 -16.763 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.512 -18.427 -14.497 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.927 -18.253 -16.191 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -26.939 -20.372 -16.767 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -26.073 -20.476 -15.247 1.00 1.43 H new ATOM 952 N ALA A 61 -24.946 -15.623 -15.856 1.00 0.51 N ATOM 953 CA ALA A 61 -24.975 -14.160 -15.811 1.00 0.35 C ATOM 954 C ALA A 61 -25.193 -13.594 -17.215 1.00 0.35 C ATOM 955 O ALA A 61 -24.414 -13.869 -18.133 1.00 0.43 O ATOM 956 CB ALA A 61 -23.659 -13.632 -15.234 1.00 0.31 C ATOM 0 H ALA A 61 -24.019 -16.014 -16.025 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.799 -13.842 -15.172 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.686 -12.543 -15.203 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.522 -14.020 -14.225 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.830 -13.956 -15.863 1.00 0.31 H new ATOM 962 N ILE A 62 -26.250 -12.799 -17.376 1.00 0.34 N ATOM 963 CA ILE A 62 -26.569 -12.184 -18.665 1.00 0.37 C ATOM 964 C ILE A 62 -25.685 -10.950 -18.879 1.00 0.31 C ATOM 965 O ILE A 62 -25.500 -10.140 -17.964 1.00 0.31 O ATOM 966 CB ILE A 62 -28.053 -11.797 -18.716 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.942 -13.042 -18.583 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.374 -11.045 -20.015 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.393 -12.663 -18.293 1.00 1.27 C ATOM 0 H ILE A 62 -26.902 -12.565 -16.628 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.375 -12.901 -19.462 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.260 -11.134 -17.876 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.894 -13.625 -19.503 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.563 -13.677 -17.782 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.431 -10.780 -20.030 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.772 -10.138 -20.069 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.147 -11.682 -20.870 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.995 -13.568 -18.205 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.443 -12.102 -17.360 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.778 -12.049 -19.107 1.00 1.27 H new ATOM 981 N CYS A 63 -25.144 -10.821 -20.089 1.00 0.34 N ATOM 982 CA CYS A 63 -24.269 -9.704 -20.448 1.00 0.33 C ATOM 983 C CYS A 63 -24.734 -9.085 -21.768 1.00 0.34 C ATOM 984 O CYS A 63 -24.885 -9.790 -22.769 1.00 0.52 O ATOM 985 CB CYS A 63 -22.819 -10.202 -20.561 1.00 0.37 C ATOM 986 SG CYS A 63 -21.625 -9.019 -19.916 1.00 0.53 S ATOM 0 H CYS A 63 -25.299 -11.485 -20.847 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.316 -8.939 -19.673 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.720 -11.143 -20.021 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.591 -10.409 -21.607 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.593 -9.656 -19.448 1.00 0.53 H new ATOM 992 N GLU A 64 -24.963 -7.769 -21.762 1.00 0.26 N ATOM 993 CA GLU A 64 -25.417 -7.042 -22.953 1.00 0.29 C ATOM 994 C GLU A 64 -24.519 -5.828 -23.187 1.00 0.24 C ATOM 995 O GLU A 64 -24.370 -4.980 -22.308 1.00 0.36 O ATOM 996 CB GLU A 64 -26.882 -6.592 -22.786 1.00 0.33 C ATOM 997 CG GLU A 64 -27.813 -7.749 -22.377 1.00 0.81 C ATOM 998 CD GLU A 64 -27.992 -8.758 -23.509 1.00 1.41 C ATOM 999 OE1 GLU A 64 -27.438 -8.531 -24.605 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -28.676 -9.782 -23.311 1.00 1.96 O ATOM 0 H GLU A 64 -24.840 -7.180 -20.938 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.357 -7.706 -23.815 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.933 -5.806 -22.033 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.235 -6.160 -23.723 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.404 -8.253 -21.502 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -28.785 -7.349 -22.089 1.00 0.81 H new ATOM 1007 N VAL A 65 -23.920 -5.754 -24.374 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.028 -4.650 -24.738 1.00 0.32 C ATOM 1009 C VAL A 65 -23.834 -3.390 -25.084 1.00 0.31 C ATOM 1010 O VAL A 65 -24.768 -3.430 -25.892 1.00 0.43 O ATOM 1011 CB VAL A 65 -22.102 -5.073 -25.905 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.793 -6.022 -26.885 1.00 0.39 C ATOM 1013 CG2 VAL A 65 -21.530 -3.861 -26.654 1.00 0.34 C ATOM 0 H VAL A 65 -24.037 -6.452 -25.108 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.399 -4.408 -23.881 1.00 0.32 H new ATOM 0 HB VAL A 65 -21.274 -5.613 -25.446 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -22.101 -6.288 -27.684 1.00 0.39 H new ATOM 0 HG12 VAL A 65 -23.104 -6.925 -26.359 1.00 0.39 H new ATOM 0 HG13 VAL A 65 -23.668 -5.531 -27.312 1.00 0.39 H new ATOM 0 HG21 VAL A 65 -20.886 -4.204 -27.464 1.00 0.34 H new ATOM 0 HG22 VAL A 65 -22.347 -3.269 -27.066 1.00 0.34 H new ATOM 0 HG23 VAL A 65 -20.950 -3.248 -25.965 1.00 0.34 H new ATOM 1023 N ALA A 66 -23.443 -2.282 -24.462 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.069 -0.976 -24.657 1.00 0.31 C ATOM 1025 C ALA A 66 -23.053 -0.024 -25.291 1.00 0.34 C ATOM 1026 O ALA A 66 -22.197 0.554 -24.606 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.556 -0.422 -23.312 1.00 0.36 C ATOM 0 H ALA A 66 -22.670 -2.265 -23.797 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.930 -1.076 -25.319 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -25.021 0.552 -23.466 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.284 -1.107 -22.878 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.709 -0.316 -22.634 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.137 0.122 -26.608 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.227 0.989 -27.364 1.00 0.71 C ATOM 1035 C LEU A 67 -22.665 2.450 -27.238 1.00 0.89 C ATOM 1036 O LEU A 67 -21.843 3.341 -27.013 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.209 0.554 -28.845 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.786 0.315 -29.367 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -20.019 1.632 -29.497 1.00 1.39 C ATOM 1040 CD2 LEU A 67 -20.028 -0.678 -28.481 1.00 1.38 C ATOM 0 H LEU A 67 -23.832 -0.352 -27.184 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.220 0.897 -26.957 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.793 -0.359 -28.960 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.692 1.320 -29.452 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.868 -0.124 -30.361 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -19.014 1.433 -29.869 1.00 1.39 H new ATOM 0 HD12 LEU A 67 -20.540 2.289 -30.193 1.00 1.39 H new ATOM 0 HD13 LEU A 67 -19.956 2.114 -28.521 1.00 1.39 H new ATOM 0 HD21 LEU A 67 -19.023 -0.826 -28.877 1.00 1.38 H new ATOM 0 HD22 LEU A 67 -19.963 -0.285 -27.466 1.00 1.38 H new ATOM 0 HD23 LEU A 67 -20.557 -1.631 -28.468 1.00 1.38 H new ATOM 1052 N ASP A 68 -23.972 2.685 -27.400 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.552 4.033 -27.326 1.00 1.14 C ATOM 1054 C ASP A 68 -25.146 4.313 -25.934 1.00 0.87 C ATOM 1055 O ASP A 68 -26.318 4.676 -25.814 1.00 1.00 O ATOM 1056 CB ASP A 68 -25.636 4.183 -28.418 1.00 1.59 C ATOM 1057 CG ASP A 68 -26.110 5.635 -28.549 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -25.327 6.562 -28.253 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -27.274 5.849 -28.947 1.00 2.62 O ATOM 0 H ASP A 68 -24.655 1.951 -27.585 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.760 4.763 -27.495 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -25.239 3.842 -29.374 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.485 3.543 -28.179 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.329 4.178 -24.885 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.780 4.465 -23.517 1.00 0.69 C ATOM 1066 C TYR A 69 -24.289 5.858 -23.127 1.00 0.97 C ATOM 1067 O TYR A 69 -23.141 6.015 -22.703 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.254 3.430 -22.512 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.733 3.738 -21.102 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.063 3.528 -20.763 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -23.859 4.263 -20.160 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.517 3.849 -19.494 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.317 4.576 -18.887 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.643 4.368 -18.563 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.094 4.693 -17.303 1.00 0.97 O ATOM 0 H TYR A 69 -23.358 3.874 -24.954 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.869 4.417 -23.493 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.589 2.434 -22.803 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.164 3.419 -22.534 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.745 3.113 -21.490 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -22.823 4.428 -20.417 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.554 3.693 -19.235 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.637 4.981 -18.152 1.00 0.64 H new ATOM 0 HH TYR A 69 -25.351 5.045 -16.770 1.00 0.97 H new ATOM 1085 N LYS A 70 -25.153 6.869 -23.300 1.00 1.40 N ATOM 1086 CA LYS A 70 -24.832 8.278 -23.000 1.00 1.81 C ATOM 1087 C LYS A 70 -23.900 8.853 -24.069 1.00 1.82 C ATOM 1088 O LYS A 70 -24.205 9.874 -24.689 1.00 2.53 O ATOM 1089 CB LYS A 70 -24.214 8.440 -21.600 1.00 2.43 C ATOM 1090 CG LYS A 70 -25.070 7.764 -20.531 1.00 2.98 C ATOM 1091 CD LYS A 70 -24.547 8.084 -19.133 1.00 3.79 C ATOM 1092 CE LYS A 70 -24.954 9.489 -18.678 1.00 4.45 C ATOM 1093 NZ LYS A 70 -26.428 9.698 -18.764 1.00 4.84 N ATOM 0 H LYS A 70 -26.100 6.735 -23.654 1.00 1.40 H new ATOM 0 HA LYS A 70 -25.768 8.837 -23.009 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -23.212 8.011 -21.591 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -24.109 9.500 -21.368 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -26.104 8.098 -20.622 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -25.068 6.685 -20.686 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -24.929 7.348 -18.425 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -23.460 8.000 -19.124 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -24.625 9.647 -17.651 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -24.446 10.231 -19.294 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -26.711 10.449 -18.103 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -26.683 9.976 -19.733 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -26.919 8.815 -18.516 1.00 4.84 H new ATOM 1107 N LYS A 71 -22.779 8.168 -24.288 1.00 1.80 N ATOM 1108 CA LYS A 71 -21.781 8.549 -25.288 1.00 2.22 C ATOM 1109 C LYS A 71 -21.270 7.289 -25.986 1.00 2.19 C ATOM 1110 O LYS A 71 -21.281 6.199 -25.408 1.00 2.78 O ATOM 1111 CB LYS A 71 -20.605 9.291 -24.631 1.00 2.97 C ATOM 1112 CG LYS A 71 -21.059 10.587 -23.944 1.00 3.56 C ATOM 1113 CD LYS A 71 -19.950 11.651 -23.936 1.00 4.44 C ATOM 1114 CE LYS A 71 -20.366 12.905 -24.715 1.00 5.27 C ATOM 1115 NZ LYS A 71 -20.683 12.601 -26.142 1.00 5.62 N ATOM 0 H LYS A 71 -22.535 7.323 -23.771 1.00 1.80 H new ATOM 0 HA LYS A 71 -22.244 9.218 -26.014 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -20.128 8.640 -23.899 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -19.855 9.524 -25.387 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -21.936 10.981 -24.457 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -21.360 10.368 -22.919 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -19.713 11.923 -22.907 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -19.042 11.235 -24.373 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -21.237 13.355 -24.239 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -19.563 13.641 -24.671 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -20.627 13.474 -26.704 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -20.000 11.908 -26.509 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -21.644 12.208 -26.208 1.00 5.62 H new ATOM 1129 N LYS A 72 -20.833 7.442 -27.232 1.00 2.22 N ATOM 1130 CA LYS A 72 -20.323 6.317 -28.024 1.00 2.54 C ATOM 1131 C LYS A 72 -18.948 5.867 -27.512 1.00 1.92 C ATOM 1132 O LYS A 72 -17.919 6.389 -27.939 1.00 2.45 O ATOM 1133 CB LYS A 72 -20.236 6.702 -29.510 1.00 3.71 C ATOM 1134 CG LYS A 72 -21.625 6.948 -30.110 1.00 4.59 C ATOM 1135 CD LYS A 72 -22.324 5.628 -30.453 1.00 5.67 C ATOM 1136 CE LYS A 72 -22.463 5.441 -31.967 1.00 6.56 C ATOM 1137 NZ LYS A 72 -23.585 6.247 -32.519 1.00 7.03 N ATOM 0 H LYS A 72 -20.820 8.337 -27.721 1.00 2.22 H new ATOM 0 HA LYS A 72 -21.019 5.485 -27.917 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -19.627 7.600 -29.619 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -19.735 5.908 -30.064 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -22.234 7.512 -29.404 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -21.533 7.558 -31.009 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -21.758 4.796 -30.033 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -23.311 5.607 -29.991 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -21.533 5.729 -32.456 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -22.628 4.387 -32.190 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -23.649 6.095 -33.546 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -24.476 5.955 -32.070 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -23.415 7.255 -32.328 1.00 7.03 H new ATOM 1151 N LYS A 73 -18.948 4.894 -26.601 1.00 1.52 N ATOM 1152 CA LYS A 73 -17.720 4.350 -26.018 1.00 1.35 C ATOM 1153 C LYS A 73 -17.782 2.811 -26.013 1.00 1.05 C ATOM 1154 O LYS A 73 -18.029 2.207 -27.057 1.00 1.79 O ATOM 1155 CB LYS A 73 -17.514 4.920 -24.602 1.00 1.94 C ATOM 1156 CG LYS A 73 -17.072 6.384 -24.650 1.00 2.32 C ATOM 1157 CD LYS A 73 -15.765 6.542 -25.434 1.00 2.93 C ATOM 1158 CE LYS A 73 -14.847 7.597 -24.810 1.00 3.52 C ATOM 1159 NZ LYS A 73 -14.237 7.115 -23.535 1.00 3.96 N ATOM 0 H LYS A 73 -19.800 4.460 -26.246 1.00 1.52 H new ATOM 0 HA LYS A 73 -16.862 4.646 -26.622 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -18.442 4.837 -24.036 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -16.765 4.329 -24.075 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -17.853 6.987 -25.113 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -16.939 6.760 -23.636 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -15.245 5.584 -25.470 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -15.991 6.821 -26.463 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -14.058 7.856 -25.516 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -15.416 8.507 -24.620 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -13.497 7.780 -23.231 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -14.971 7.054 -22.801 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -13.817 6.175 -23.684 1.00 3.96 H new ATOM 1173 N HIS A 74 -17.546 2.181 -24.856 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.565 0.715 -24.737 1.00 0.38 C ATOM 1175 C HIS A 74 -18.075 0.311 -23.351 1.00 0.30 C ATOM 1176 O HIS A 74 -17.281 0.030 -22.445 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.149 0.141 -24.950 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.612 0.343 -26.340 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -14.659 1.283 -26.651 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -15.884 -0.276 -27.516 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -14.361 1.248 -27.925 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.091 0.301 -28.490 1.00 1.53 N ATOM 0 H HIS A 74 -17.338 2.666 -23.983 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.231 0.313 -25.501 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.468 0.606 -24.237 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.163 -0.926 -24.728 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -16.593 -1.077 -27.665 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -13.645 1.881 -28.427 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -15.072 0.041 -29.476 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.395 0.272 -23.184 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.013 -0.110 -21.909 1.00 0.23 C ATOM 1192 C VAL A 75 -20.808 -1.401 -22.108 1.00 0.22 C ATOM 1193 O VAL A 75 -21.257 -1.694 -23.212 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.934 1.029 -21.412 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.727 0.616 -20.168 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.127 2.294 -21.109 1.00 0.31 C ATOM 0 H VAL A 75 -20.064 0.501 -23.919 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.242 -0.279 -21.157 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.640 1.239 -22.216 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.362 1.443 -19.850 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.348 -0.249 -20.403 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -21.036 0.359 -19.365 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.798 3.079 -20.761 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.389 2.079 -20.336 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.618 2.626 -22.014 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.990 -2.167 -21.040 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.757 -3.409 -21.100 1.00 0.23 C ATOM 1208 C PHE A 76 -22.469 -3.624 -19.774 1.00 0.22 C ATOM 1209 O PHE A 76 -21.905 -3.384 -18.705 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.877 -4.615 -21.471 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.797 -4.969 -20.464 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.551 -4.363 -20.539 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.063 -5.871 -19.444 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.575 -4.655 -19.597 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.086 -6.168 -18.506 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.804 -5.674 -18.664 1.00 0.29 C ATOM 0 H PHE A 76 -20.616 -1.950 -20.116 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.499 -3.320 -21.893 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.521 -5.484 -21.608 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.402 -4.415 -22.432 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.340 -3.662 -21.333 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -21.033 -6.343 -19.380 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.648 -4.102 -19.583 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.326 -6.785 -17.653 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.989 -6.069 -18.075 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.720 -4.055 -19.860 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.557 -4.292 -18.684 1.00 0.28 C ATOM 1228 C LYS A 77 -24.426 -5.736 -18.219 1.00 0.31 C ATOM 1229 O LYS A 77 -24.442 -6.663 -19.030 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.025 -3.981 -19.005 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.164 -2.718 -19.860 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.605 -2.196 -19.853 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.258 -2.326 -21.231 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.729 -2.103 -21.166 1.00 1.95 N ATOM 0 H LYS A 77 -24.187 -4.251 -20.746 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.220 -3.633 -17.884 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.469 -4.826 -19.530 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.581 -3.855 -18.076 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.493 -1.946 -19.483 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -25.858 -2.934 -20.884 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.190 -2.750 -19.119 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.613 -1.151 -19.543 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -27.810 -1.605 -21.915 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.058 -3.318 -21.637 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.137 -2.199 -22.118 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -30.159 -2.807 -20.532 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.920 -1.147 -20.802 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.303 -5.913 -16.908 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.175 -7.233 -16.301 1.00 0.24 C ATOM 1250 C LEU A 78 -25.342 -7.460 -15.340 1.00 0.29 C ATOM 1251 O LEU A 78 -25.471 -6.764 -14.329 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.832 -7.339 -15.558 1.00 0.30 C ATOM 1253 CG LEU A 78 -21.933 -8.423 -16.163 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.694 -8.639 -15.291 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.687 -9.746 -16.348 1.00 0.30 C ATOM 0 H LEU A 78 -24.289 -5.146 -16.236 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.199 -7.999 -17.076 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.319 -6.378 -15.595 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.014 -7.562 -14.507 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.620 -8.077 -17.148 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.067 -9.412 -15.735 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.130 -7.709 -15.223 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -21.001 -8.951 -14.293 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.017 -10.490 -16.779 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.046 -10.098 -15.381 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.535 -9.591 -17.016 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.176 -8.439 -15.667 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.338 -8.795 -14.855 1.00 0.40 C ATOM 1269 C ARG A 79 -27.094 -10.180 -14.265 1.00 0.45 C ATOM 1270 O ARG A 79 -27.104 -11.184 -14.985 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.597 -8.785 -15.730 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.863 -9.082 -14.926 1.00 1.11 C ATOM 1273 CD ARG A 79 -31.117 -8.918 -15.789 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.523 -7.509 -15.863 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.800 -7.148 -15.980 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.547 -7.661 -16.949 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -33.312 -6.251 -15.152 1.00 2.99 N ATOM 0 H ARG A 79 -26.067 -9.011 -16.504 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.484 -8.077 -14.048 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.695 -7.812 -16.212 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.491 -9.524 -16.524 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.818 -10.098 -14.534 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.918 -8.412 -14.068 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.925 -9.298 -16.792 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.930 -9.513 -15.373 1.00 1.51 H new ATOM 0 HE ARG A 79 -30.806 -6.785 -15.824 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -33.143 -8.331 -17.604 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -34.525 -7.385 -17.039 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.729 -5.837 -14.425 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -34.290 -5.974 -15.241 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.839 -10.221 -12.963 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.547 -11.475 -12.255 1.00 0.68 C ATOM 1293 C LEU A 80 -27.829 -12.236 -11.904 1.00 0.84 C ATOM 1294 O LEU A 80 -28.911 -11.651 -11.810 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.763 -11.163 -10.971 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.485 -10.364 -11.257 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.854 -9.905 -9.945 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.492 -11.187 -12.088 1.00 1.26 C ATOM 0 H LEU A 80 -26.827 -9.395 -12.365 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.953 -12.108 -12.914 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.397 -10.599 -10.287 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.503 -12.095 -10.470 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.750 -9.484 -11.843 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.947 -9.338 -10.156 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -24.559 -9.274 -9.404 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -23.605 -10.775 -9.337 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.596 -10.595 -12.275 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.222 -12.091 -11.542 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -23.951 -11.460 -13.038 1.00 1.26 H new ATOM 1310 N SER A 81 -27.683 -13.546 -11.685 1.00 1.01 N ATOM 1311 CA SER A 81 -28.798 -14.434 -11.318 1.00 1.23 C ATOM 1312 C SER A 81 -29.383 -14.036 -9.954 1.00 1.40 C ATOM 1313 O SER A 81 -30.574 -14.213 -9.699 1.00 1.92 O ATOM 1314 CB SER A 81 -28.307 -15.890 -11.293 1.00 1.52 C ATOM 1315 OG SER A 81 -26.889 -15.956 -11.128 1.00 2.18 O ATOM 0 H SER A 81 -26.786 -14.026 -11.757 1.00 1.01 H new ATOM 0 HA SER A 81 -29.589 -14.337 -12.062 1.00 1.23 H new ATOM 0 HB2 SER A 81 -28.795 -16.427 -10.480 1.00 1.52 H new ATOM 0 HB3 SER A 81 -28.591 -16.388 -12.220 1.00 1.52 H new ATOM 0 HG SER A 81 -26.480 -16.305 -11.947 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.524 -13.475 -9.096 1.00 1.33 N ATOM 1322 CA ASP A 82 -28.910 -13.008 -7.756 1.00 1.76 C ATOM 1323 C ASP A 82 -29.985 -11.916 -7.873 1.00 1.31 C ATOM 1324 O ASP A 82 -31.005 -11.952 -7.180 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.649 -12.476 -7.024 1.00 2.76 C ATOM 1326 CG ASP A 82 -27.995 -11.558 -5.845 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -28.136 -10.335 -6.055 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -28.124 -12.064 -4.710 1.00 3.77 O ATOM 0 H ASP A 82 -27.537 -13.331 -9.310 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.330 -13.832 -7.179 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -27.060 -13.319 -6.663 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.025 -11.932 -7.733 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.736 -10.954 -8.757 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.653 -9.839 -8.990 1.00 1.53 C ATOM 1335 C GLY A 83 -29.874 -8.547 -9.220 1.00 1.31 C ATOM 1336 O GLY A 83 -30.338 -7.665 -9.970 1.00 1.88 O ATOM 0 H GLY A 83 -28.894 -10.924 -9.332 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.281 -10.051 -9.855 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.318 -9.722 -8.134 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.693 -8.436 -8.559 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.834 -7.242 -8.666 1.00 0.71 C ATOM 1342 C ASN A 84 -27.505 -6.919 -10.133 1.00 0.62 C ATOM 1343 O ASN A 84 -27.190 -7.814 -10.929 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.541 -7.450 -7.860 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.733 -7.020 -6.404 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.818 -7.161 -5.838 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -25.683 -6.497 -5.796 1.00 1.32 N ATOM 0 H ASN A 84 -28.319 -9.162 -7.948 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.379 -6.393 -8.253 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.248 -8.499 -7.898 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -25.731 -6.876 -8.310 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -25.755 -6.194 -4.825 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -24.801 -6.396 -6.298 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.608 -5.632 -10.474 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.364 -5.132 -11.834 1.00 0.55 C ATOM 1356 C GLU A 85 -26.332 -3.995 -11.827 1.00 0.47 C ATOM 1357 O GLU A 85 -26.440 -3.053 -11.033 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.688 -4.612 -12.410 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.506 -5.742 -13.029 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.673 -5.174 -13.822 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.741 -4.913 -13.224 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -30.532 -4.987 -15.045 1.00 1.43 O ATOM 0 H GLU A 85 -27.865 -4.901 -9.811 1.00 0.59 H new ATOM 0 HA GLU A 85 -26.971 -5.945 -12.444 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.266 -4.132 -11.621 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.485 -3.852 -13.164 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.873 -6.344 -13.681 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -29.877 -6.403 -12.246 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.356 -4.068 -12.738 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.319 -3.031 -12.864 1.00 0.31 C ATOM 1371 C TYR A 86 -23.955 -2.806 -14.335 1.00 0.29 C ATOM 1372 O TYR A 86 -24.105 -3.706 -15.167 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.011 -3.413 -12.138 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.152 -4.122 -10.808 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.498 -5.461 -10.773 1.00 0.53 C ATOM 1376 CD2 TYR A 86 -22.991 -3.421 -9.624 1.00 0.57 C ATOM 1377 CE1 TYR A 86 -23.675 -6.101 -9.559 1.00 0.62 C ATOM 1378 CE2 TYR A 86 -23.178 -4.061 -8.411 1.00 0.67 C ATOM 1379 CZ TYR A 86 -23.300 -5.434 -8.381 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.713 -6.028 -7.177 1.00 0.77 O ATOM 0 H TYR A 86 -25.260 -4.836 -13.402 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.743 -2.134 -12.413 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.427 -4.050 -12.802 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.432 -2.503 -11.979 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.630 -6.008 -11.695 1.00 0.53 H new ATOM 0 HD2 TYR A 86 -22.720 -2.376 -9.647 1.00 0.57 H new ATOM 0 HE1 TYR A 86 -24.094 -7.096 -9.518 1.00 0.62 H new ATOM 0 HE2 TYR A 86 -23.228 -3.490 -7.496 1.00 0.67 H new ATOM 0 HH TYR A 86 -23.065 -5.822 -6.471 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.398 -1.627 -14.627 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.907 -1.294 -15.970 1.00 0.23 C ATOM 1392 C LEU A 87 -21.386 -1.235 -15.886 1.00 0.22 C ATOM 1393 O LEU A 87 -20.845 -0.551 -15.012 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.424 0.061 -16.475 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.926 0.254 -16.270 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.406 1.458 -17.074 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.727 -0.987 -16.668 1.00 0.38 C ATOM 0 H LEU A 87 -23.275 -0.879 -13.944 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.263 -2.051 -16.669 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.889 0.860 -15.961 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.195 0.156 -17.536 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.093 0.425 -15.207 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.477 1.592 -16.925 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.879 2.352 -16.740 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.205 1.292 -18.132 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.789 -0.802 -16.505 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.555 -1.209 -17.721 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.409 -1.835 -16.062 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.704 -1.955 -16.764 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.244 -1.993 -16.768 1.00 0.19 C ATOM 1411 C PHE A 88 -18.683 -1.254 -17.976 1.00 0.20 C ATOM 1412 O PHE A 88 -19.032 -1.557 -19.117 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.770 -3.442 -16.766 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.891 -4.092 -15.411 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.917 -3.879 -14.452 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.972 -4.906 -15.127 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.021 -4.479 -13.214 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.080 -5.507 -13.887 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.104 -5.297 -12.930 1.00 0.22 C ATOM 0 H PHE A 88 -21.139 -2.526 -17.489 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.879 -1.493 -15.870 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.352 -4.011 -17.491 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.730 -3.480 -17.091 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.073 -3.242 -14.673 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.733 -5.072 -15.875 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.259 -4.312 -12.467 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.926 -6.140 -13.666 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.185 -5.770 -11.962 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.801 -0.293 -17.713 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.162 0.496 -18.765 1.00 0.26 C ATOM 1431 C GLN A 89 -15.740 -0.015 -18.991 1.00 0.22 C ATOM 1432 O GLN A 89 -14.914 0.001 -18.071 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.134 1.980 -18.377 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.827 2.865 -19.591 1.00 0.52 C ATOM 1435 CD GLN A 89 -17.176 4.325 -19.301 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.970 4.819 -18.189 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -17.696 5.021 -20.300 1.00 1.63 N ATOM 0 H GLN A 89 -17.509 -0.039 -16.769 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.734 0.392 -19.687 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.095 2.265 -17.950 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.381 2.143 -17.605 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.771 2.783 -19.849 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.394 2.515 -20.454 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -17.851 4.576 -21.205 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -17.941 6.002 -20.165 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.464 -0.466 -20.217 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.143 -0.984 -20.592 1.00 0.24 C ATOM 1448 C ALA A 90 -13.301 0.127 -21.219 1.00 0.27 C ATOM 1449 O ALA A 90 -13.833 1.162 -21.636 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.299 -2.142 -21.585 1.00 0.29 C ATOM 0 H ALA A 90 -16.145 -0.483 -20.976 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.639 -1.347 -19.696 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.315 -2.521 -21.859 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.880 -2.941 -21.124 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.813 -1.788 -22.479 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.989 -0.094 -21.290 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.065 0.887 -21.871 1.00 0.44 C ATOM 1458 C LYS A 91 -11.045 0.779 -23.394 1.00 0.49 C ATOM 1459 O LYS A 91 -11.081 1.797 -24.089 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.647 0.685 -21.316 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.533 1.191 -19.876 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.540 0.040 -18.860 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.186 -0.686 -18.750 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.210 -0.278 -19.800 1.00 2.29 N ATOM 0 H LYS A 91 -11.539 -0.945 -20.952 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.415 1.882 -21.597 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.388 -0.373 -21.353 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -8.930 1.211 -21.946 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -8.614 1.766 -19.766 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -10.360 1.868 -19.663 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -9.815 0.431 -17.880 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.308 -0.680 -19.143 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -7.755 -0.490 -17.768 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -8.352 -1.761 -18.816 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -6.315 -0.790 -19.660 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -7.595 -0.505 -20.739 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.037 0.745 -19.735 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.970 -0.451 -23.904 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.920 -0.694 -25.360 1.00 0.66 C ATOM 1480 C ASP A 92 -12.055 -1.616 -25.831 1.00 0.59 C ATOM 1481 O ASP A 92 -12.781 -2.207 -25.025 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.563 -1.315 -25.733 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.047 -0.765 -27.061 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.849 -0.653 -28.010 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -7.844 -0.438 -27.160 1.00 2.01 O ATOM 0 H ASP A 92 -10.942 -1.299 -23.337 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.045 0.267 -25.860 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.838 -1.109 -24.946 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.663 -2.398 -25.800 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.166 -1.740 -27.158 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.178 -2.591 -27.818 1.00 0.63 C ATOM 1492 C ASP A 93 -12.886 -4.073 -27.553 1.00 0.49 C ATOM 1493 O ASP A 93 -13.774 -4.833 -27.163 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.177 -2.313 -29.334 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.340 -3.018 -30.037 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -14.298 -4.257 -30.181 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -15.311 -2.336 -30.429 1.00 2.21 O ATOM 0 H ASP A 93 -11.555 -1.252 -27.813 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.161 -2.355 -27.409 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.243 -1.239 -29.508 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.234 -2.648 -29.765 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.626 -4.465 -27.758 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.172 -5.843 -27.538 1.00 0.41 C ATOM 1504 C GLU A 94 -11.434 -6.253 -26.088 1.00 0.36 C ATOM 1505 O GLU A 94 -11.926 -7.346 -25.813 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.672 -5.933 -27.849 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.147 -7.370 -27.755 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.636 -7.369 -27.571 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -6.938 -6.629 -28.291 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -7.137 -8.122 -26.713 1.00 2.59 O ATOM 0 H GLU A 94 -10.890 -3.837 -28.081 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.720 -6.518 -28.195 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.486 -5.545 -28.850 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.120 -5.300 -27.154 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.622 -7.884 -26.919 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.410 -7.920 -28.658 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.112 -5.341 -25.173 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.303 -5.547 -23.739 1.00 0.29 C ATOM 1519 C GLU A 95 -12.778 -5.835 -23.421 1.00 0.24 C ATOM 1520 O GLU A 95 -13.093 -6.803 -22.731 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.827 -4.300 -22.988 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.213 -4.660 -21.641 1.00 0.42 C ATOM 1523 CD GLU A 95 -9.753 -3.399 -20.931 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.592 -2.510 -20.693 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -8.548 -3.294 -20.621 1.00 1.30 O ATOM 0 H GLU A 95 -10.709 -4.434 -25.407 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.720 -6.411 -23.420 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -10.093 -3.768 -23.593 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.667 -3.622 -22.837 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.943 -5.188 -21.028 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.370 -5.336 -21.784 1.00 0.42 H new ATOM 1532 N MET A 96 -13.671 -4.993 -23.953 1.00 0.24 N ATOM 1533 CA MET A 96 -15.124 -5.137 -23.755 1.00 0.22 C ATOM 1534 C MET A 96 -15.608 -6.528 -24.195 1.00 0.22 C ATOM 1535 O MET A 96 -16.331 -7.203 -23.458 1.00 0.23 O ATOM 1536 CB MET A 96 -15.858 -4.047 -24.546 1.00 0.26 C ATOM 1537 CG MET A 96 -17.375 -4.085 -24.317 1.00 0.39 C ATOM 1538 SD MET A 96 -18.273 -4.720 -25.744 1.00 0.94 S ATOM 1539 CE MET A 96 -18.039 -3.380 -26.923 1.00 0.77 C ATOM 0 H MET A 96 -13.412 -4.194 -24.532 1.00 0.24 H new ATOM 0 HA MET A 96 -15.343 -5.027 -22.693 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.473 -3.069 -24.256 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.650 -4.170 -25.609 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.593 -4.707 -23.449 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.730 -3.080 -24.086 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.706 -3.523 -27.773 1.00 0.77 H new ATOM 0 HE2 MET A 96 -18.263 -2.428 -26.441 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.006 -3.377 -27.270 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.188 -6.959 -25.388 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.569 -8.275 -25.923 1.00 0.28 C ATOM 1551 C ASN A 97 -14.976 -9.403 -25.066 1.00 0.26 C ATOM 1552 O ASN A 97 -15.644 -10.399 -24.793 1.00 0.29 O ATOM 1553 CB ASN A 97 -15.111 -8.411 -27.386 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.742 -9.644 -28.050 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -15.060 -10.630 -28.323 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -17.041 -9.586 -28.309 1.00 1.24 N ATOM 0 H ASN A 97 -14.583 -6.417 -26.005 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.655 -8.358 -25.890 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.386 -7.514 -27.941 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -14.024 -8.489 -27.425 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -17.509 -10.378 -28.750 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -17.572 -8.750 -28.067 1.00 1.24 H new ATOM 1563 N THR A 98 -13.722 -9.232 -24.629 1.00 0.25 N ATOM 1564 CA THR A 98 -13.041 -10.229 -23.788 1.00 0.27 C ATOM 1565 C THR A 98 -13.772 -10.395 -22.444 1.00 0.23 C ATOM 1566 O THR A 98 -13.946 -11.516 -21.961 1.00 0.27 O ATOM 1567 CB THR A 98 -11.573 -9.825 -23.563 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.947 -9.535 -24.811 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.797 -10.931 -22.844 1.00 0.39 C ATOM 0 H THR A 98 -13.156 -8.411 -24.844 1.00 0.25 H new ATOM 0 HA THR A 98 -13.059 -11.189 -24.305 1.00 0.27 H new ATOM 0 HB THR A 98 -11.564 -8.934 -22.935 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.029 -8.578 -25.004 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.764 -10.616 -22.700 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.256 -11.126 -21.875 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.818 -11.840 -23.445 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.217 -9.277 -21.855 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.946 -9.303 -20.576 1.00 0.20 C ATOM 1579 C TRP A 99 -16.304 -9.990 -20.753 1.00 0.21 C ATOM 1580 O TRP A 99 -16.643 -10.907 -20.003 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.143 -7.875 -20.034 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.928 -7.320 -19.337 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.166 -6.259 -19.747 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.340 -7.781 -18.096 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.160 -6.062 -18.846 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.230 -6.966 -17.835 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.638 -8.805 -17.189 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.435 -7.137 -16.715 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.840 -8.979 -16.063 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.748 -8.155 -15.832 1.00 0.29 C ATOM 0 H TRP A 99 -14.086 -8.343 -22.242 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.355 -9.869 -19.856 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.410 -7.216 -20.860 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.983 -7.872 -19.339 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.334 -5.673 -20.639 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.450 -5.333 -18.922 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.482 -9.456 -17.362 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.589 -6.490 -16.534 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.073 -9.765 -15.360 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.137 -8.310 -14.955 1.00 0.29 H new ATOM 1601 N ILE A 100 -17.078 -9.554 -21.758 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.401 -10.140 -22.034 1.00 0.24 C ATOM 1603 C ILE A 100 -18.288 -11.649 -22.296 1.00 0.28 C ATOM 1604 O ILE A 100 -19.041 -12.438 -21.730 1.00 0.34 O ATOM 1605 CB ILE A 100 -19.060 -9.445 -23.244 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.462 -8.010 -22.892 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.289 -10.226 -23.732 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.935 -7.243 -24.128 1.00 0.29 C ATOM 0 H ILE A 100 -16.813 -8.800 -22.392 1.00 0.21 H new ATOM 0 HA ILE A 100 -19.026 -9.986 -21.154 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.325 -9.420 -24.049 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.256 -8.026 -22.146 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.614 -7.493 -22.444 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.732 -9.712 -24.585 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.987 -11.230 -24.030 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -21.022 -10.291 -22.928 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.213 -6.228 -23.842 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.131 -7.206 -24.863 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.799 -7.747 -24.561 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.344 -12.039 -23.159 1.00 0.29 N ATOM 1621 CA GLN A 101 -17.135 -13.450 -23.507 1.00 0.35 C ATOM 1622 C GLN A 101 -16.687 -14.268 -22.292 1.00 0.36 C ATOM 1623 O GLN A 101 -17.180 -15.374 -22.072 1.00 0.43 O ATOM 1624 CB GLN A 101 -16.102 -13.571 -24.634 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.691 -13.170 -25.995 1.00 0.48 C ATOM 1626 CD GLN A 101 -16.253 -14.150 -27.080 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -17.041 -14.975 -27.538 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -14.992 -14.072 -27.481 1.00 1.76 N ATOM 0 H GLN A 101 -16.710 -11.395 -23.631 1.00 0.29 H new ATOM 0 HA GLN A 101 -18.088 -13.853 -23.849 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.243 -12.938 -24.409 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.737 -14.597 -24.684 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.779 -13.149 -25.934 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.367 -12.162 -26.255 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -14.370 -13.373 -27.075 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -14.643 -14.711 -28.195 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.761 -13.722 -21.500 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.252 -14.405 -20.300 1.00 0.37 C ATOM 1639 C ALA A 102 -16.384 -14.681 -19.306 1.00 0.38 C ATOM 1640 O ALA A 102 -16.461 -15.764 -18.724 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.164 -13.558 -19.631 1.00 0.38 C ATOM 0 H ALA A 102 -15.345 -12.806 -21.666 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.824 -15.359 -20.608 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.795 -14.074 -18.744 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.342 -13.404 -20.330 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.580 -12.593 -19.342 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.260 -13.697 -19.126 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.397 -13.819 -18.214 1.00 0.38 C ATOM 1649 C ILE A 103 -19.479 -14.738 -18.813 1.00 0.47 C ATOM 1650 O ILE A 103 -20.064 -15.562 -18.110 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.973 -12.426 -17.918 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.922 -11.531 -17.235 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.227 -12.522 -17.043 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.184 -10.050 -17.504 1.00 0.35 C ATOM 0 H ILE A 103 -17.204 -12.798 -19.604 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.056 -14.267 -17.281 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.250 -11.976 -18.871 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -17.931 -11.713 -16.160 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.928 -11.796 -17.595 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.613 -11.521 -16.849 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.986 -13.110 -17.558 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -19.975 -13.003 -16.098 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.423 -9.450 -17.006 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.149 -9.863 -18.577 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.168 -9.779 -17.120 1.00 0.35 H new ATOM 1666 N SER A 104 -19.740 -14.594 -20.119 1.00 0.53 N ATOM 1667 CA SER A 104 -20.751 -15.405 -20.816 1.00 0.66 C ATOM 1668 C SER A 104 -20.361 -16.890 -20.873 1.00 0.72 C ATOM 1669 O SER A 104 -21.225 -17.766 -20.820 1.00 0.89 O ATOM 1670 CB SER A 104 -20.954 -14.865 -22.232 1.00 0.81 C ATOM 1671 OG SER A 104 -21.413 -13.517 -22.196 1.00 1.05 O ATOM 0 H SER A 104 -19.263 -13.920 -20.718 1.00 0.53 H new ATOM 0 HA SER A 104 -21.681 -15.333 -20.252 1.00 0.66 H new ATOM 0 HB2 SER A 104 -20.017 -14.921 -22.786 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.675 -15.486 -22.763 1.00 0.81 H new ATOM 0 HG SER A 104 -20.711 -12.942 -21.825 1.00 1.05 H new ATOM 1677 N SER A 105 -19.059 -17.170 -20.984 1.00 0.80 N ATOM 1678 CA SER A 105 -18.553 -18.551 -21.052 1.00 1.13 C ATOM 1679 C SER A 105 -18.542 -19.227 -19.668 1.00 1.23 C ATOM 1680 O SER A 105 -18.222 -20.413 -19.559 1.00 1.61 O ATOM 1681 CB SER A 105 -17.138 -18.557 -21.651 1.00 1.48 C ATOM 1682 OG SER A 105 -17.115 -17.863 -22.894 1.00 1.63 O ATOM 0 H SER A 105 -18.331 -16.457 -21.029 1.00 0.80 H new ATOM 0 HA SER A 105 -19.226 -19.122 -21.691 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.441 -18.090 -20.955 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.803 -19.584 -21.796 1.00 1.48 H new ATOM 0 HG SER A 105 -17.041 -16.900 -22.730 1.00 1.63 H new ATOM 1688 N ALA A 106 -18.900 -18.483 -18.616 1.00 1.29 N ATOM 1689 CA ALA A 106 -18.937 -19.023 -17.254 1.00 1.59 C ATOM 1690 C ALA A 106 -20.293 -19.676 -16.994 1.00 2.40 C ATOM 1691 O ALA A 106 -20.338 -20.888 -16.700 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.687 -17.901 -16.243 1.00 1.90 C ATOM 1693 OXT ALA A 106 -21.324 -18.982 -17.109 1.00 3.05 O ATOM 0 H ALA A 106 -19.169 -17.501 -18.683 1.00 1.29 H new ATOM 0 HA ALA A 106 -18.156 -19.775 -17.144 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.716 -18.309 -15.233 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -17.709 -17.456 -16.427 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.458 -17.138 -16.348 1.00 1.90 H new TER 1699 ALA A 106