USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 875 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 HIS : no HE2:sc= -0.883 K(o=-0.19,f=-7!) USER MOD Set 1.2: A 77 SER OG : rot -102:sc= 0.693 USER MOD Set 1.3: A 108 TYR OH : rot 180:sc=-0.00222 USER MOD Set 2.1: A 88 SER OG : rot 176:sc= 0.864 USER MOD Set 2.2: A 91 GLN : amide:sc= 1.47 K(o=2.3,f=-3) USER MOD Set 3.1: A 64 ASN : amide:sc= 0.86 X(o=2.3,f=1.8) USER MOD Set 3.2: A 66 THR OG1 : rot 96:sc= 1.39 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.2 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.607 X(o=-0.61,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0.668 (180deg=0.541) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 77:sc= 0.253 USER MOD Single : A 44 ASN : amide:sc= -0.307 K(o=-0.31,f=-3.6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc=-0.000892 (180deg=-0.0563) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc=-0.00173 X(o=-0.0017,f=-0.0017) USER MOD Single : A 63 THR OG1 : rot 46:sc= 0.381 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 CYS SG : rot 22:sc= 0.43 USER MOD Single : A 73 LYS NZ :NH3+ 142:sc= 1.22 (180deg=0.133) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot -120:sc= -0.371 USER MOD Single : A 84 HIS : no HD1:sc= -0.53 X(o=-0.53,f=-0.1) USER MOD Single : A 85 GLN : amide:sc= -0.448 K(o=-0.45,f=-4.3!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 92 ASN : amide:sc= 2.16 K(o=2.2,f=-9.4!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.2) USER MOD Single : A 101 GLN : amide:sc= 0.814 K(o=0.81,f=-0.13) USER MOD Single : A 103 LYS NZ :NH3+ -171:sc=-0.000147 (180deg=-0.087) USER MOD Single : A 109 ASN : amide:sc= 0.586 K(o=0.59,f=-0.033) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= -0.0217 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -57.208 -46.679 -60.353 1.00 35.34 N ATOM 2 CA GLY A 1 -57.911 -46.493 -59.071 1.00 12.41 C ATOM 3 C GLY A 1 -58.127 -45.009 -58.834 1.00 4.43 C ATOM 4 O GLY A 1 -57.863 -44.226 -59.740 1.00 54.43 O ATOM 0 H1 GLY A 1 -57.796 -47.253 -60.991 1.00 35.34 H new ATOM 0 H2 GLY A 1 -57.028 -45.752 -60.788 1.00 35.34 H new ATOM 0 H3 GLY A 1 -56.303 -47.164 -60.186 1.00 35.34 H new ATOM 0 HA2 GLY A 1 -58.868 -47.014 -59.088 1.00 12.41 H new ATOM 0 HA3 GLY A 1 -57.328 -46.923 -58.257 1.00 12.41 H new ATOM 8 N SER A 2 -58.645 -44.633 -57.668 1.00 54.33 N ATOM 9 CA SER A 2 -58.903 -43.257 -57.266 1.00 25.13 C ATOM 10 C SER A 2 -58.924 -43.249 -55.733 1.00 72.10 C ATOM 11 O SER A 2 -58.955 -44.324 -55.122 1.00 24.51 O ATOM 12 CB SER A 2 -60.236 -42.776 -57.860 1.00 43.02 C ATOM 13 OG SER A 2 -60.313 -41.370 -57.795 1.00 43.40 O ATOM 0 H SER A 2 -58.907 -45.308 -56.949 1.00 54.33 H new ATOM 0 HA SER A 2 -58.136 -42.575 -57.633 1.00 25.13 H new ATOM 0 HB2 SER A 2 -60.322 -43.106 -58.895 1.00 43.02 H new ATOM 0 HB3 SER A 2 -61.068 -43.220 -57.314 1.00 43.02 H new ATOM 0 HG SER A 2 -61.165 -41.071 -58.177 1.00 43.40 H new ATOM 19 N SER A 3 -58.906 -42.070 -55.121 1.00 22.44 N ATOM 20 CA SER A 3 -58.926 -41.872 -53.681 1.00 55.42 C ATOM 21 C SER A 3 -59.336 -40.420 -53.401 1.00 24.22 C ATOM 22 O SER A 3 -59.323 -39.582 -54.304 1.00 65.41 O ATOM 23 CB SER A 3 -57.545 -42.214 -53.087 1.00 35.34 C ATOM 24 OG SER A 3 -56.472 -41.741 -53.885 1.00 31.44 O ATOM 0 H SER A 3 -58.876 -41.192 -55.638 1.00 22.44 H new ATOM 0 HA SER A 3 -59.649 -42.534 -53.205 1.00 55.42 H new ATOM 0 HB2 SER A 3 -57.467 -41.783 -52.089 1.00 35.34 H new ATOM 0 HB3 SER A 3 -57.460 -43.295 -52.975 1.00 35.34 H new ATOM 0 HG SER A 3 -55.620 -41.982 -53.464 1.00 31.44 H new ATOM 30 N GLY A 4 -59.672 -40.112 -52.150 1.00 20.24 N ATOM 31 CA GLY A 4 -60.078 -38.791 -51.709 1.00 71.13 C ATOM 32 C GLY A 4 -60.628 -38.924 -50.297 1.00 21.10 C ATOM 33 O GLY A 4 -61.382 -39.860 -50.033 1.00 45.25 O ATOM 0 H GLY A 4 -59.667 -40.800 -51.397 1.00 20.24 H new ATOM 0 HA2 GLY A 4 -59.231 -38.105 -51.727 1.00 71.13 H new ATOM 0 HA3 GLY A 4 -60.835 -38.380 -52.377 1.00 71.13 H new ATOM 37 N SER A 5 -60.235 -38.018 -49.403 1.00 52.12 N ATOM 38 CA SER A 5 -60.654 -37.993 -48.009 1.00 53.02 C ATOM 39 C SER A 5 -60.739 -36.532 -47.563 1.00 11.21 C ATOM 40 O SER A 5 -60.172 -35.650 -48.212 1.00 51.54 O ATOM 41 CB SER A 5 -59.631 -38.744 -47.139 1.00 13.12 C ATOM 42 OG SER A 5 -59.334 -40.033 -47.647 1.00 11.11 O ATOM 0 H SER A 5 -59.596 -37.259 -49.640 1.00 52.12 H new ATOM 0 HA SER A 5 -61.624 -38.479 -47.900 1.00 53.02 H new ATOM 0 HB2 SER A 5 -58.713 -38.160 -47.077 1.00 13.12 H new ATOM 0 HB3 SER A 5 -60.019 -38.837 -46.125 1.00 13.12 H new ATOM 0 HG SER A 5 -58.680 -40.472 -47.064 1.00 11.11 H new ATOM 48 N SER A 6 -61.420 -36.263 -46.452 1.00 20.31 N ATOM 49 CA SER A 6 -61.580 -34.930 -45.893 1.00 33.20 C ATOM 50 C SER A 6 -61.871 -35.067 -44.394 1.00 64.51 C ATOM 51 O SER A 6 -62.043 -36.178 -43.889 1.00 62.53 O ATOM 52 CB SER A 6 -62.679 -34.184 -46.669 1.00 41.23 C ATOM 53 OG SER A 6 -63.876 -34.935 -46.744 1.00 14.14 O ATOM 0 H SER A 6 -61.886 -36.986 -45.904 1.00 20.31 H new ATOM 0 HA SER A 6 -60.673 -34.335 -45.995 1.00 33.20 H new ATOM 0 HB2 SER A 6 -62.880 -33.228 -46.185 1.00 41.23 H new ATOM 0 HB3 SER A 6 -62.326 -33.963 -47.676 1.00 41.23 H new ATOM 0 HG SER A 6 -64.550 -34.427 -47.243 1.00 14.14 H new ATOM 59 N GLY A 7 -61.917 -33.951 -43.665 1.00 32.14 N ATOM 60 CA GLY A 7 -62.186 -33.935 -42.237 1.00 11.32 C ATOM 61 C GLY A 7 -61.972 -32.529 -41.690 1.00 20.52 C ATOM 62 O GLY A 7 -61.558 -31.629 -42.423 1.00 74.41 O ATOM 0 H GLY A 7 -61.766 -33.023 -44.061 1.00 32.14 H new ATOM 0 HA2 GLY A 7 -63.209 -34.258 -42.046 1.00 11.32 H new ATOM 0 HA3 GLY A 7 -61.529 -34.639 -41.725 1.00 11.32 H new ATOM 66 N LYS A 8 -62.276 -32.319 -40.409 1.00 73.32 N ATOM 67 CA LYS A 8 -62.127 -31.041 -39.723 1.00 2.11 C ATOM 68 C LYS A 8 -62.010 -31.370 -38.242 1.00 1.22 C ATOM 69 O LYS A 8 -62.985 -31.854 -37.680 1.00 71.30 O ATOM 70 CB LYS A 8 -63.346 -30.151 -40.021 1.00 34.22 C ATOM 71 CG LYS A 8 -63.288 -28.799 -39.289 1.00 32.41 C ATOM 72 CD LYS A 8 -64.438 -27.865 -39.699 1.00 1.33 C ATOM 73 CE LYS A 8 -65.805 -28.429 -39.278 1.00 50.24 C ATOM 74 NZ LYS A 8 -66.928 -27.556 -39.696 1.00 33.53 N ATOM 0 H LYS A 8 -62.643 -33.055 -39.806 1.00 73.32 H new ATOM 0 HA LYS A 8 -61.248 -30.488 -40.055 1.00 2.11 H new ATOM 0 HB2 LYS A 8 -63.409 -29.976 -41.095 1.00 34.22 H new ATOM 0 HB3 LYS A 8 -64.255 -30.678 -39.731 1.00 34.22 H new ATOM 0 HG2 LYS A 8 -63.327 -28.969 -38.213 1.00 32.41 H new ATOM 0 HG3 LYS A 8 -62.335 -28.314 -39.501 1.00 32.41 H new ATOM 0 HD2 LYS A 8 -64.292 -26.886 -39.243 1.00 1.33 H new ATOM 0 HD3 LYS A 8 -64.421 -27.719 -40.779 1.00 1.33 H new ATOM 0 HE2 LYS A 8 -65.936 -29.419 -39.714 1.00 50.24 H new ATOM 0 HE3 LYS A 8 -65.827 -28.552 -38.195 1.00 50.24 H new ATOM 0 HZ1 LYS A 8 -67.828 -27.978 -39.390 1.00 33.53 H new ATOM 0 HZ2 LYS A 8 -66.819 -26.618 -39.260 1.00 33.53 H new ATOM 0 HZ3 LYS A 8 -66.926 -27.459 -40.731 1.00 33.53 H new ATOM 88 N TRP A 9 -60.848 -31.116 -37.639 1.00 73.21 N ATOM 89 CA TRP A 9 -60.583 -31.387 -36.230 1.00 52.34 C ATOM 90 C TRP A 9 -61.578 -30.689 -35.301 1.00 40.20 C ATOM 91 O TRP A 9 -62.421 -31.339 -34.694 1.00 12.05 O ATOM 92 CB TRP A 9 -59.134 -31.003 -35.887 1.00 23.51 C ATOM 93 CG TRP A 9 -58.141 -32.087 -36.148 1.00 10.20 C ATOM 94 CD1 TRP A 9 -57.169 -32.099 -37.087 1.00 44.13 C ATOM 95 CD2 TRP A 9 -58.015 -33.340 -35.418 1.00 2.23 C ATOM 96 NE1 TRP A 9 -56.458 -33.280 -36.990 1.00 22.11 N ATOM 97 CE2 TRP A 9 -56.936 -34.083 -35.974 1.00 64.41 C ATOM 98 CE3 TRP A 9 -58.715 -33.913 -34.334 1.00 23.31 C ATOM 99 CZ2 TRP A 9 -56.562 -35.339 -35.477 1.00 34.45 C ATOM 100 CZ3 TRP A 9 -58.348 -35.175 -33.828 1.00 13.21 C ATOM 101 CH2 TRP A 9 -57.276 -35.887 -34.396 1.00 24.24 C ATOM 0 H TRP A 9 -60.051 -30.708 -38.128 1.00 73.21 H new ATOM 0 HA TRP A 9 -60.715 -32.457 -36.068 1.00 52.34 H new ATOM 0 HB2 TRP A 9 -58.856 -30.122 -36.466 1.00 23.51 H new ATOM 0 HB3 TRP A 9 -59.082 -30.723 -34.835 1.00 23.51 H new ATOM 0 HD1 TRP A 9 -56.978 -31.311 -37.800 1.00 44.13 H new ATOM 0 HE1 TRP A 9 -55.675 -33.528 -37.595 1.00 22.11 H new ATOM 0 HE3 TRP A 9 -59.540 -33.378 -33.888 1.00 23.31 H new ATOM 0 HZ2 TRP A 9 -55.737 -35.879 -35.918 1.00 34.45 H new ATOM 0 HZ3 TRP A 9 -58.893 -35.599 -32.998 1.00 13.21 H new ATOM 0 HH2 TRP A 9 -57.001 -36.854 -34.002 1.00 24.24 H new ATOM 112 N GLY A 10 -61.504 -29.364 -35.192 1.00 13.32 N ATOM 113 CA GLY A 10 -62.378 -28.597 -34.326 1.00 61.01 C ATOM 114 C GLY A 10 -61.756 -27.230 -34.070 1.00 33.41 C ATOM 115 O GLY A 10 -60.742 -26.888 -34.681 1.00 53.10 O ATOM 0 H GLY A 10 -60.831 -28.796 -35.707 1.00 13.32 H new ATOM 0 HA2 GLY A 10 -63.359 -28.483 -34.788 1.00 61.01 H new ATOM 0 HA3 GLY A 10 -62.529 -29.123 -33.384 1.00 61.01 H new ATOM 119 N LEU A 11 -62.401 -26.421 -33.232 1.00 74.12 N ATOM 120 CA LEU A 11 -61.961 -25.086 -32.845 1.00 44.15 C ATOM 121 C LEU A 11 -62.322 -24.929 -31.370 1.00 23.42 C ATOM 122 O LEU A 11 -63.308 -25.508 -30.912 1.00 1.14 O ATOM 123 CB LEU A 11 -62.648 -23.969 -33.661 1.00 15.24 C ATOM 124 CG LEU A 11 -62.192 -23.849 -35.132 1.00 44.44 C ATOM 125 CD1 LEU A 11 -63.090 -24.648 -36.089 1.00 73.33 C ATOM 126 CD2 LEU A 11 -62.223 -22.380 -35.574 1.00 74.11 C ATOM 0 H LEU A 11 -63.279 -26.690 -32.788 1.00 74.12 H new ATOM 0 HA LEU A 11 -60.892 -24.989 -33.033 1.00 44.15 H new ATOM 0 HB2 LEU A 11 -63.724 -24.140 -33.645 1.00 15.24 H new ATOM 0 HB3 LEU A 11 -62.469 -23.016 -33.164 1.00 15.24 H new ATOM 0 HG LEU A 11 -61.181 -24.253 -35.178 1.00 44.44 H new ATOM 0 HD11 LEU A 11 -62.728 -24.531 -37.110 1.00 73.33 H new ATOM 0 HD12 LEU A 11 -63.067 -25.703 -35.814 1.00 73.33 H new ATOM 0 HD13 LEU A 11 -64.113 -24.278 -36.022 1.00 73.33 H new ATOM 0 HD21 LEU A 11 -61.900 -22.306 -36.612 1.00 74.11 H new ATOM 0 HD22 LEU A 11 -63.238 -21.993 -35.481 1.00 74.11 H new ATOM 0 HD23 LEU A 11 -61.553 -21.796 -34.943 1.00 74.11 H new ATOM 138 N ARG A 12 -61.542 -24.156 -30.615 1.00 12.51 N ATOM 139 CA ARG A 12 -61.779 -23.911 -29.196 1.00 33.02 C ATOM 140 C ARG A 12 -61.104 -22.593 -28.839 1.00 21.42 C ATOM 141 O ARG A 12 -60.070 -22.269 -29.419 1.00 40.11 O ATOM 142 CB ARG A 12 -61.201 -25.089 -28.377 1.00 75.45 C ATOM 143 CG ARG A 12 -61.226 -24.914 -26.850 1.00 41.14 C ATOM 144 CD ARG A 12 -62.637 -24.711 -26.282 1.00 0.13 C ATOM 145 NE ARG A 12 -62.583 -24.352 -24.854 1.00 23.23 N ATOM 146 CZ ARG A 12 -62.958 -25.109 -23.813 1.00 4.31 C ATOM 147 NH1 ARG A 12 -63.418 -26.348 -23.996 1.00 62.24 N ATOM 148 NH2 ARG A 12 -62.866 -24.620 -22.579 1.00 53.53 N ATOM 0 H ARG A 12 -60.718 -23.677 -30.978 1.00 12.51 H new ATOM 0 HA ARG A 12 -62.843 -23.841 -28.969 1.00 33.02 H new ATOM 0 HB2 ARG A 12 -61.758 -25.991 -28.630 1.00 75.45 H new ATOM 0 HB3 ARG A 12 -60.169 -25.253 -28.689 1.00 75.45 H new ATOM 0 HG2 ARG A 12 -60.778 -25.791 -26.384 1.00 41.14 H new ATOM 0 HG3 ARG A 12 -60.607 -24.058 -26.580 1.00 41.14 H new ATOM 0 HD2 ARG A 12 -63.148 -23.926 -26.839 1.00 0.13 H new ATOM 0 HD3 ARG A 12 -63.219 -25.623 -26.410 1.00 0.13 H new ATOM 0 HE ARG A 12 -62.220 -23.425 -24.633 1.00 23.23 H new ATOM 0 HH11 ARG A 12 -63.488 -26.732 -24.938 1.00 62.24 H new ATOM 0 HH12 ARG A 12 -63.699 -26.911 -23.194 1.00 62.24 H new ATOM 0 HH21 ARG A 12 -62.512 -23.675 -22.430 1.00 53.53 H new ATOM 0 HH22 ARG A 12 -63.149 -25.190 -21.782 1.00 53.53 H new ATOM 162 N LEU A 13 -61.693 -21.852 -27.904 1.00 12.31 N ATOM 163 CA LEU A 13 -61.197 -20.578 -27.407 1.00 33.14 C ATOM 164 C LEU A 13 -60.684 -20.859 -25.999 1.00 73.13 C ATOM 165 O LEU A 13 -61.207 -21.735 -25.292 1.00 43.22 O ATOM 166 CB LEU A 13 -62.290 -19.490 -27.399 1.00 70.42 C ATOM 167 CG LEU A 13 -62.569 -18.772 -28.737 1.00 14.44 C ATOM 168 CD1 LEU A 13 -61.339 -18.025 -29.265 1.00 34.54 C ATOM 169 CD2 LEU A 13 -63.113 -19.709 -29.822 1.00 63.54 C ATOM 0 H LEU A 13 -62.564 -22.137 -27.456 1.00 12.31 H new ATOM 0 HA LEU A 13 -60.411 -20.187 -28.054 1.00 33.14 H new ATOM 0 HB2 LEU A 13 -63.220 -19.945 -27.058 1.00 70.42 H new ATOM 0 HB3 LEU A 13 -62.014 -18.737 -26.661 1.00 70.42 H new ATOM 0 HG LEU A 13 -63.347 -18.043 -28.508 1.00 14.44 H new ATOM 0 HD11 LEU A 13 -61.587 -17.537 -30.208 1.00 34.54 H new ATOM 0 HD12 LEU A 13 -61.029 -17.274 -28.538 1.00 34.54 H new ATOM 0 HD13 LEU A 13 -60.525 -18.732 -29.425 1.00 34.54 H new ATOM 0 HD21 LEU A 13 -63.288 -19.143 -30.737 1.00 63.54 H new ATOM 0 HD22 LEU A 13 -62.388 -20.499 -30.017 1.00 63.54 H new ATOM 0 HD23 LEU A 13 -64.050 -20.152 -29.484 1.00 63.54 H new ATOM 181 N GLN A 14 -59.651 -20.119 -25.617 1.00 52.21 N ATOM 182 CA GLN A 14 -58.929 -20.167 -24.358 1.00 70.23 C ATOM 183 C GLN A 14 -58.084 -18.884 -24.279 1.00 22.40 C ATOM 184 O GLN A 14 -58.265 -17.989 -25.102 1.00 35.53 O ATOM 185 CB GLN A 14 -58.062 -21.450 -24.326 1.00 62.35 C ATOM 186 CG GLN A 14 -56.923 -21.537 -25.368 1.00 40.22 C ATOM 187 CD GLN A 14 -57.392 -21.467 -26.822 1.00 62.24 C ATOM 188 OE1 GLN A 14 -57.231 -20.454 -27.484 1.00 63.34 O ATOM 189 NE2 GLN A 14 -58.046 -22.501 -27.332 1.00 43.04 N ATOM 0 H GLN A 14 -59.265 -19.408 -26.238 1.00 52.21 H new ATOM 0 HA GLN A 14 -59.593 -20.209 -23.495 1.00 70.23 H new ATOM 0 HB2 GLN A 14 -57.623 -21.541 -23.332 1.00 62.35 H new ATOM 0 HB3 GLN A 14 -58.718 -22.309 -24.465 1.00 62.35 H new ATOM 0 HG2 GLN A 14 -56.218 -20.726 -25.187 1.00 40.22 H new ATOM 0 HG3 GLN A 14 -56.380 -22.470 -25.218 1.00 40.22 H new ATOM 0 HE21 GLN A 14 -58.178 -23.346 -26.776 1.00 43.04 H new ATOM 0 HE22 GLN A 14 -58.417 -22.452 -28.281 1.00 43.04 H new ATOM 198 N GLU A 15 -57.211 -18.767 -23.280 1.00 10.02 N ATOM 199 CA GLU A 15 -56.319 -17.628 -23.081 1.00 20.43 C ATOM 200 C GLU A 15 -54.922 -18.218 -22.801 1.00 23.02 C ATOM 201 O GLU A 15 -54.757 -19.439 -22.704 1.00 1.12 O ATOM 202 CB GLU A 15 -56.919 -16.673 -22.023 1.00 73.53 C ATOM 203 CG GLU A 15 -56.139 -15.368 -21.727 1.00 41.21 C ATOM 204 CD GLU A 15 -55.446 -14.732 -22.950 1.00 41.23 C ATOM 205 OE1 GLU A 15 -56.002 -14.637 -24.066 1.00 42.42 O ATOM 206 OE2 GLU A 15 -54.214 -14.541 -22.887 1.00 44.31 O ATOM 0 H GLU A 15 -57.102 -19.486 -22.564 1.00 10.02 H new ATOM 0 HA GLU A 15 -56.208 -16.979 -23.950 1.00 20.43 H new ATOM 0 HB2 GLU A 15 -57.924 -16.401 -22.345 1.00 73.53 H new ATOM 0 HB3 GLU A 15 -57.022 -17.225 -21.089 1.00 73.53 H new ATOM 0 HG2 GLU A 15 -56.828 -14.640 -21.299 1.00 41.21 H new ATOM 0 HG3 GLU A 15 -55.385 -15.577 -20.969 1.00 41.21 H new ATOM 213 N LYS A 16 -53.885 -17.382 -22.800 1.00 1.05 N ATOM 214 CA LYS A 16 -52.504 -17.768 -22.570 1.00 4.14 C ATOM 215 C LYS A 16 -52.282 -17.949 -21.061 1.00 32.14 C ATOM 216 O LYS A 16 -52.958 -17.296 -20.266 1.00 21.42 O ATOM 217 CB LYS A 16 -51.587 -16.654 -23.109 1.00 54.51 C ATOM 218 CG LYS A 16 -51.311 -16.613 -24.627 1.00 63.14 C ATOM 219 CD LYS A 16 -52.388 -17.003 -25.665 1.00 1.51 C ATOM 220 CE LYS A 16 -53.727 -16.245 -25.710 1.00 72.23 C ATOM 221 NZ LYS A 16 -53.660 -14.796 -25.443 1.00 5.21 N ATOM 0 H LYS A 16 -53.993 -16.381 -22.966 1.00 1.05 H new ATOM 0 HA LYS A 16 -52.277 -18.704 -23.080 1.00 4.14 H new ATOM 0 HB2 LYS A 16 -52.022 -15.696 -22.823 1.00 54.51 H new ATOM 0 HB3 LYS A 16 -50.628 -16.734 -22.597 1.00 54.51 H new ATOM 0 HG2 LYS A 16 -51.001 -15.595 -24.863 1.00 63.14 H new ATOM 0 HG3 LYS A 16 -50.451 -17.258 -24.808 1.00 63.14 H new ATOM 0 HD2 LYS A 16 -51.933 -16.916 -26.652 1.00 1.51 H new ATOM 0 HD3 LYS A 16 -52.618 -18.057 -25.512 1.00 1.51 H new ATOM 0 HE2 LYS A 16 -54.172 -16.393 -26.694 1.00 72.23 H new ATOM 0 HE3 LYS A 16 -54.402 -16.697 -24.984 1.00 72.23 H new ATOM 0 HZ1 LYS A 16 -54.592 -14.368 -25.614 1.00 5.21 H new ATOM 0 HZ2 LYS A 16 -53.383 -14.638 -24.453 1.00 5.21 H new ATOM 0 HZ3 LYS A 16 -52.957 -14.359 -26.073 1.00 5.21 H new ATOM 235 N PRO A 17 -51.349 -18.822 -20.644 1.00 53.35 N ATOM 236 CA PRO A 17 -51.069 -19.032 -19.232 1.00 70.24 C ATOM 237 C PRO A 17 -50.341 -17.794 -18.691 1.00 23.53 C ATOM 238 O PRO A 17 -49.480 -17.226 -19.370 1.00 3.11 O ATOM 239 CB PRO A 17 -50.189 -20.288 -19.177 1.00 71.43 C ATOM 240 CG PRO A 17 -49.460 -20.269 -20.526 1.00 64.20 C ATOM 241 CD PRO A 17 -50.489 -19.652 -21.476 1.00 21.30 C ATOM 0 HA PRO A 17 -51.963 -19.171 -18.624 1.00 70.24 H new ATOM 0 HB2 PRO A 17 -49.490 -20.253 -18.342 1.00 71.43 H new ATOM 0 HB3 PRO A 17 -50.786 -21.192 -19.055 1.00 71.43 H new ATOM 0 HG2 PRO A 17 -48.547 -19.675 -20.481 1.00 64.20 H new ATOM 0 HG3 PRO A 17 -49.172 -21.272 -20.842 1.00 64.20 H new ATOM 0 HD2 PRO A 17 -50.001 -19.058 -22.249 1.00 21.30 H new ATOM 0 HD3 PRO A 17 -51.065 -20.425 -21.984 1.00 21.30 H new ATOM 249 N ALA A 18 -50.694 -17.362 -17.479 1.00 33.32 N ATOM 250 CA ALA A 18 -50.060 -16.214 -16.852 1.00 3.42 C ATOM 251 C ALA A 18 -48.647 -16.605 -16.398 1.00 53.34 C ATOM 252 O ALA A 18 -48.358 -17.782 -16.177 1.00 11.02 O ATOM 253 CB ALA A 18 -50.904 -15.740 -15.663 1.00 50.34 C ATOM 0 H ALA A 18 -51.422 -17.798 -16.913 1.00 33.32 H new ATOM 0 HA ALA A 18 -49.986 -15.394 -17.566 1.00 3.42 H new ATOM 0 HB1 ALA A 18 -50.424 -14.879 -15.197 1.00 50.34 H new ATOM 0 HB2 ALA A 18 -51.897 -15.457 -16.012 1.00 50.34 H new ATOM 0 HB3 ALA A 18 -50.991 -16.546 -14.934 1.00 50.34 H new ATOM 259 N LEU A 19 -47.773 -15.611 -16.248 1.00 71.34 N ATOM 260 CA LEU A 19 -46.385 -15.753 -15.817 1.00 63.43 C ATOM 261 C LEU A 19 -46.053 -14.563 -14.914 1.00 73.54 C ATOM 262 O LEU A 19 -46.842 -13.622 -14.808 1.00 41.12 O ATOM 263 CB LEU A 19 -45.433 -15.792 -17.033 1.00 12.42 C ATOM 264 CG LEU A 19 -45.528 -17.059 -17.907 1.00 31.25 C ATOM 265 CD1 LEU A 19 -44.638 -16.889 -19.144 1.00 62.25 C ATOM 266 CD2 LEU A 19 -45.083 -18.321 -17.154 1.00 53.13 C ATOM 0 H LEU A 19 -48.026 -14.640 -16.432 1.00 71.34 H new ATOM 0 HA LEU A 19 -46.256 -16.690 -15.274 1.00 63.43 H new ATOM 0 HB2 LEU A 19 -45.635 -14.923 -17.659 1.00 12.42 H new ATOM 0 HB3 LEU A 19 -44.408 -15.695 -16.674 1.00 12.42 H new ATOM 0 HG LEU A 19 -46.574 -17.183 -18.188 1.00 31.25 H new ATOM 0 HD11 LEU A 19 -44.703 -17.783 -19.764 1.00 62.25 H new ATOM 0 HD12 LEU A 19 -44.973 -16.025 -19.717 1.00 62.25 H new ATOM 0 HD13 LEU A 19 -43.605 -16.739 -18.831 1.00 62.25 H new ATOM 0 HD21 LEU A 19 -45.168 -19.186 -17.812 1.00 53.13 H new ATOM 0 HD22 LEU A 19 -44.047 -18.208 -16.835 1.00 53.13 H new ATOM 0 HD23 LEU A 19 -45.718 -18.466 -16.280 1.00 53.13 H new ATOM 278 N LEU A 20 -44.895 -14.601 -14.256 1.00 50.24 N ATOM 279 CA LEU A 20 -44.397 -13.572 -13.360 1.00 2.25 C ATOM 280 C LEU A 20 -42.895 -13.389 -13.584 1.00 4.23 C ATOM 281 O LEU A 20 -42.267 -14.177 -14.293 1.00 32.43 O ATOM 282 CB LEU A 20 -44.749 -13.919 -11.900 1.00 2.45 C ATOM 283 CG LEU A 20 -44.463 -15.352 -11.390 1.00 55.22 C ATOM 284 CD1 LEU A 20 -42.978 -15.727 -11.355 1.00 23.20 C ATOM 285 CD2 LEU A 20 -45.029 -15.495 -9.971 1.00 42.25 C ATOM 0 H LEU A 20 -44.253 -15.389 -14.341 1.00 50.24 H new ATOM 0 HA LEU A 20 -44.878 -12.618 -13.575 1.00 2.25 H new ATOM 0 HB2 LEU A 20 -44.210 -13.224 -11.255 1.00 2.45 H new ATOM 0 HB3 LEU A 20 -45.812 -13.724 -11.760 1.00 2.45 H new ATOM 0 HG LEU A 20 -44.940 -16.027 -12.100 1.00 55.22 H new ATOM 0 HD11 LEU A 20 -42.869 -16.747 -10.986 1.00 23.20 H new ATOM 0 HD12 LEU A 20 -42.562 -15.659 -12.360 1.00 23.20 H new ATOM 0 HD13 LEU A 20 -42.445 -15.043 -10.694 1.00 23.20 H new ATOM 0 HD21 LEU A 20 -44.833 -16.501 -9.601 1.00 42.25 H new ATOM 0 HD22 LEU A 20 -44.552 -14.768 -9.314 1.00 42.25 H new ATOM 0 HD23 LEU A 20 -46.104 -15.318 -9.989 1.00 42.25 H new ATOM 297 N PHE A 21 -42.336 -12.318 -13.021 1.00 23.34 N ATOM 298 CA PHE A 21 -40.918 -11.999 -13.121 1.00 72.32 C ATOM 299 C PHE A 21 -40.170 -12.669 -11.961 1.00 0.22 C ATOM 300 O PHE A 21 -40.771 -12.911 -10.911 1.00 21.33 O ATOM 301 CB PHE A 21 -40.724 -10.476 -13.083 1.00 13.40 C ATOM 302 CG PHE A 21 -41.072 -9.783 -14.388 1.00 75.01 C ATOM 303 CD1 PHE A 21 -42.409 -9.465 -14.698 1.00 31.14 C ATOM 304 CD2 PHE A 21 -40.052 -9.466 -15.306 1.00 73.00 C ATOM 305 CE1 PHE A 21 -42.724 -8.843 -15.919 1.00 32.33 C ATOM 306 CE2 PHE A 21 -40.367 -8.839 -16.525 1.00 23.23 C ATOM 307 CZ PHE A 21 -41.703 -8.529 -16.834 1.00 5.01 C ATOM 0 H PHE A 21 -42.867 -11.639 -12.475 1.00 23.34 H new ATOM 0 HA PHE A 21 -40.519 -12.372 -14.064 1.00 72.32 H new ATOM 0 HB2 PHE A 21 -41.340 -10.060 -12.286 1.00 13.40 H new ATOM 0 HB3 PHE A 21 -39.686 -10.257 -12.831 1.00 13.40 H new ATOM 0 HD1 PHE A 21 -43.195 -9.700 -13.995 1.00 31.14 H new ATOM 0 HD2 PHE A 21 -39.025 -9.705 -15.073 1.00 73.00 H new ATOM 0 HE1 PHE A 21 -43.751 -8.606 -16.155 1.00 32.33 H new ATOM 0 HE2 PHE A 21 -39.581 -8.595 -17.225 1.00 23.23 H new ATOM 0 HZ PHE A 21 -41.945 -8.051 -17.772 1.00 5.01 H new ATOM 317 N PRO A 22 -38.870 -12.965 -12.120 1.00 2.13 N ATOM 318 CA PRO A 22 -38.073 -13.591 -11.077 1.00 33.35 C ATOM 319 C PRO A 22 -37.710 -12.577 -9.985 1.00 3.54 C ATOM 320 O PRO A 22 -37.811 -11.364 -10.176 1.00 74.32 O ATOM 321 CB PRO A 22 -36.824 -14.108 -11.798 1.00 30.32 C ATOM 322 CG PRO A 22 -36.633 -13.096 -12.928 1.00 43.44 C ATOM 323 CD PRO A 22 -38.068 -12.728 -13.310 1.00 5.20 C ATOM 0 HA PRO A 22 -38.609 -14.394 -10.571 1.00 33.35 H new ATOM 0 HB2 PRO A 22 -35.960 -14.140 -11.135 1.00 30.32 H new ATOM 0 HB3 PRO A 22 -36.969 -15.118 -12.181 1.00 30.32 H new ATOM 0 HG2 PRO A 22 -36.068 -12.225 -12.598 1.00 43.44 H new ATOM 0 HG3 PRO A 22 -36.090 -13.528 -13.769 1.00 43.44 H new ATOM 0 HD2 PRO A 22 -38.134 -11.686 -13.624 1.00 5.20 H new ATOM 0 HD3 PRO A 22 -38.418 -13.335 -14.145 1.00 5.20 H new ATOM 331 N GLY A 23 -37.280 -13.092 -8.833 1.00 24.51 N ATOM 332 CA GLY A 23 -36.866 -12.298 -7.686 1.00 44.04 C ATOM 333 C GLY A 23 -35.344 -12.153 -7.678 1.00 41.35 C ATOM 334 O GLY A 23 -34.658 -12.599 -8.597 1.00 31.12 O ATOM 0 H GLY A 23 -37.210 -14.097 -8.672 1.00 24.51 H new ATOM 0 HA2 GLY A 23 -37.334 -11.314 -7.725 1.00 44.04 H new ATOM 0 HA3 GLY A 23 -37.200 -12.773 -6.764 1.00 44.04 H new ATOM 338 N MET A 24 -34.810 -11.510 -6.639 1.00 1.33 N ATOM 339 CA MET A 24 -33.381 -11.287 -6.452 1.00 3.14 C ATOM 340 C MET A 24 -32.981 -11.934 -5.127 1.00 62.34 C ATOM 341 O MET A 24 -33.768 -11.938 -4.183 1.00 2.05 O ATOM 342 CB MET A 24 -33.091 -9.776 -6.463 1.00 11.34 C ATOM 343 CG MET A 24 -31.599 -9.459 -6.297 1.00 62.01 C ATOM 344 SD MET A 24 -31.217 -7.694 -6.158 1.00 3.11 S ATOM 345 CE MET A 24 -31.304 -7.203 -7.899 1.00 11.01 C ATOM 0 H MET A 24 -35.377 -11.121 -5.886 1.00 1.33 H new ATOM 0 HA MET A 24 -32.798 -11.734 -7.258 1.00 3.14 H new ATOM 0 HB2 MET A 24 -33.447 -9.349 -7.400 1.00 11.34 H new ATOM 0 HB3 MET A 24 -33.652 -9.297 -5.661 1.00 11.34 H new ATOM 0 HG2 MET A 24 -31.229 -9.969 -5.408 1.00 62.01 H new ATOM 0 HG3 MET A 24 -31.056 -9.869 -7.149 1.00 62.01 H new ATOM 0 HE1 MET A 24 -31.092 -6.137 -7.988 1.00 11.01 H new ATOM 0 HE2 MET A 24 -30.570 -7.768 -8.473 1.00 11.01 H new ATOM 0 HE3 MET A 24 -32.302 -7.408 -8.285 1.00 11.01 H new ATOM 355 N ALA A 25 -31.764 -12.476 -5.070 1.00 51.31 N ATOM 356 CA ALA A 25 -31.188 -13.126 -3.906 1.00 31.52 C ATOM 357 C ALA A 25 -29.684 -12.882 -3.998 1.00 24.44 C ATOM 358 O ALA A 25 -28.916 -13.787 -4.339 1.00 41.12 O ATOM 359 CB ALA A 25 -31.552 -14.619 -3.898 1.00 12.22 C ATOM 0 H ALA A 25 -31.131 -12.471 -5.870 1.00 51.31 H new ATOM 0 HA ALA A 25 -31.573 -12.727 -2.968 1.00 31.52 H new ATOM 0 HB1 ALA A 25 -31.115 -15.095 -3.021 1.00 12.22 H new ATOM 0 HB2 ALA A 25 -32.636 -14.729 -3.868 1.00 12.22 H new ATOM 0 HB3 ALA A 25 -31.164 -15.093 -4.800 1.00 12.22 H new ATOM 365 N ALA A 26 -29.274 -11.622 -3.821 1.00 31.12 N ATOM 366 CA ALA A 26 -27.865 -11.265 -3.879 1.00 44.42 C ATOM 367 C ALA A 26 -27.138 -11.820 -2.658 1.00 44.30 C ATOM 368 O ALA A 26 -27.772 -12.311 -1.722 1.00 22.02 O ATOM 369 CB ALA A 26 -27.704 -9.754 -3.952 1.00 24.40 C ATOM 0 H ALA A 26 -29.901 -10.839 -3.637 1.00 31.12 H new ATOM 0 HA ALA A 26 -27.427 -11.700 -4.777 1.00 44.42 H new ATOM 0 HB1 ALA A 26 -26.644 -9.503 -3.995 1.00 24.40 H new ATOM 0 HB2 ALA A 26 -28.203 -9.378 -4.845 1.00 24.40 H new ATOM 0 HB3 ALA A 26 -28.150 -9.297 -3.068 1.00 24.40 H new ATOM 375 N SER A 27 -25.812 -11.704 -2.633 1.00 13.43 N ATOM 376 CA SER A 27 -25.008 -12.212 -1.539 1.00 3.44 C ATOM 377 C SER A 27 -23.689 -11.440 -1.440 1.00 11.04 C ATOM 378 O SER A 27 -23.404 -10.567 -2.271 1.00 74.22 O ATOM 379 CB SER A 27 -24.784 -13.696 -1.838 1.00 22.42 C ATOM 380 OG SER A 27 -24.504 -14.449 -0.678 1.00 30.11 O ATOM 0 H SER A 27 -25.271 -11.255 -3.372 1.00 13.43 H new ATOM 0 HA SER A 27 -25.501 -12.087 -0.575 1.00 3.44 H new ATOM 0 HB2 SER A 27 -25.671 -14.102 -2.325 1.00 22.42 H new ATOM 0 HB3 SER A 27 -23.958 -13.800 -2.542 1.00 22.42 H new ATOM 0 HG SER A 27 -24.371 -15.389 -0.922 1.00 30.11 H new ATOM 386 N THR A 28 -22.896 -11.783 -0.430 1.00 71.31 N ATOM 387 CA THR A 28 -21.600 -11.221 -0.086 1.00 21.21 C ATOM 388 C THR A 28 -20.672 -12.392 0.304 1.00 53.24 C ATOM 389 O THR A 28 -21.109 -13.546 0.356 1.00 65.25 O ATOM 390 CB THR A 28 -21.855 -10.200 1.044 1.00 44.52 C ATOM 391 OG1 THR A 28 -22.706 -9.168 0.578 1.00 74.45 O ATOM 392 CG2 THR A 28 -20.605 -9.533 1.620 1.00 62.25 C ATOM 0 H THR A 28 -23.168 -12.521 0.220 1.00 71.31 H new ATOM 0 HA THR A 28 -21.104 -10.694 -0.901 1.00 21.21 H new ATOM 0 HB THR A 28 -22.302 -10.789 1.845 1.00 44.52 H new ATOM 0 HG1 THR A 28 -22.865 -8.524 1.300 1.00 74.45 H new ATOM 0 HG21 THR A 28 -20.894 -8.835 2.406 1.00 62.25 H new ATOM 0 HG22 THR A 28 -19.945 -10.294 2.036 1.00 62.25 H new ATOM 0 HG23 THR A 28 -20.083 -8.994 0.829 1.00 62.25 H new ATOM 400 N VAL A 29 -19.385 -12.122 0.535 1.00 45.33 N ATOM 401 CA VAL A 29 -18.354 -13.079 0.918 1.00 2.54 C ATOM 402 C VAL A 29 -17.365 -12.396 1.875 1.00 34.25 C ATOM 403 O VAL A 29 -17.535 -11.220 2.218 1.00 4.33 O ATOM 404 CB VAL A 29 -17.617 -13.586 -0.344 1.00 32.25 C ATOM 405 CG1 VAL A 29 -18.523 -14.408 -1.261 1.00 53.02 C ATOM 406 CG2 VAL A 29 -16.978 -12.460 -1.172 1.00 12.41 C ATOM 0 H VAL A 29 -19.017 -11.174 0.454 1.00 45.33 H new ATOM 0 HA VAL A 29 -18.810 -13.932 1.421 1.00 2.54 H new ATOM 0 HB VAL A 29 -16.823 -14.221 0.048 1.00 32.25 H new ATOM 0 HG11 VAL A 29 -17.956 -14.739 -2.131 1.00 53.02 H new ATOM 0 HG12 VAL A 29 -18.897 -15.277 -0.719 1.00 53.02 H new ATOM 0 HG13 VAL A 29 -19.363 -13.795 -1.587 1.00 53.02 H new ATOM 0 HG21 VAL A 29 -16.478 -12.887 -2.042 1.00 12.41 H new ATOM 0 HG22 VAL A 29 -17.752 -11.767 -1.502 1.00 12.41 H new ATOM 0 HG23 VAL A 29 -16.250 -11.927 -0.561 1.00 12.41 H new ATOM 416 N GLN A 30 -16.359 -13.133 2.351 1.00 51.12 N ATOM 417 CA GLN A 30 -15.324 -12.590 3.225 1.00 55.03 C ATOM 418 C GLN A 30 -14.459 -11.669 2.352 1.00 5.42 C ATOM 419 O GLN A 30 -14.201 -11.990 1.185 1.00 21.30 O ATOM 420 CB GLN A 30 -14.519 -13.732 3.866 1.00 74.50 C ATOM 421 CG GLN A 30 -13.757 -14.613 2.857 1.00 64.44 C ATOM 422 CD GLN A 30 -13.124 -15.850 3.490 1.00 4.54 C ATOM 423 OE1 GLN A 30 -13.578 -16.367 4.510 1.00 1.24 O ATOM 424 NE2 GLN A 30 -12.062 -16.360 2.891 1.00 22.33 N ATOM 0 H GLN A 30 -16.241 -14.124 2.139 1.00 51.12 H new ATOM 0 HA GLN A 30 -15.742 -12.020 4.055 1.00 55.03 H new ATOM 0 HB2 GLN A 30 -13.805 -13.307 4.571 1.00 74.50 H new ATOM 0 HB3 GLN A 30 -15.198 -14.362 4.441 1.00 74.50 H new ATOM 0 HG2 GLN A 30 -14.442 -14.927 2.070 1.00 64.44 H new ATOM 0 HG3 GLN A 30 -12.977 -14.018 2.382 1.00 64.44 H new ATOM 0 HE21 GLN A 30 -11.694 -15.923 2.046 1.00 22.33 H new ATOM 0 HE22 GLN A 30 -11.610 -17.191 3.274 1.00 22.33 H new ATOM 433 N VAL A 31 -14.006 -10.542 2.897 1.00 33.04 N ATOM 434 CA VAL A 31 -13.192 -9.580 2.167 1.00 0.31 C ATOM 435 C VAL A 31 -11.734 -9.650 2.617 1.00 42.21 C ATOM 436 O VAL A 31 -11.374 -10.410 3.524 1.00 4.03 O ATOM 437 CB VAL A 31 -13.784 -8.166 2.328 1.00 13.41 C ATOM 438 CG1 VAL A 31 -15.230 -8.091 1.811 1.00 51.41 C ATOM 439 CG2 VAL A 31 -13.708 -7.685 3.782 1.00 1.34 C ATOM 0 H VAL A 31 -14.196 -10.272 3.862 1.00 33.04 H new ATOM 0 HA VAL A 31 -13.206 -9.829 1.106 1.00 0.31 H new ATOM 0 HB VAL A 31 -13.175 -7.499 1.718 1.00 13.41 H new ATOM 0 HG11 VAL A 31 -15.611 -7.078 1.942 1.00 51.41 H new ATOM 0 HG12 VAL A 31 -15.252 -8.353 0.753 1.00 51.41 H new ATOM 0 HG13 VAL A 31 -15.853 -8.789 2.371 1.00 51.41 H new ATOM 0 HG21 VAL A 31 -14.134 -6.685 3.857 1.00 1.34 H new ATOM 0 HG22 VAL A 31 -14.269 -8.367 4.421 1.00 1.34 H new ATOM 0 HG23 VAL A 31 -12.667 -7.660 4.103 1.00 1.34 H new ATOM 449 N ALA A 32 -10.889 -8.846 1.974 1.00 71.10 N ATOM 450 CA ALA A 32 -9.478 -8.771 2.284 1.00 13.23 C ATOM 451 C ALA A 32 -9.234 -7.876 3.500 1.00 70.13 C ATOM 452 O ALA A 32 -10.153 -7.237 4.024 1.00 51.22 O ATOM 453 CB ALA A 32 -8.735 -8.214 1.067 1.00 74.12 C ATOM 0 H ALA A 32 -11.176 -8.225 1.217 1.00 71.10 H new ATOM 0 HA ALA A 32 -9.110 -9.769 2.522 1.00 13.23 H new ATOM 0 HB1 ALA A 32 -7.669 -8.152 1.288 1.00 74.12 H new ATOM 0 HB2 ALA A 32 -8.891 -8.873 0.213 1.00 74.12 H new ATOM 0 HB3 ALA A 32 -9.115 -7.220 0.833 1.00 74.12 H new ATOM 459 N GLY A 33 -7.987 -7.827 3.949 1.00 44.34 N ATOM 460 CA GLY A 33 -7.522 -7.034 5.068 1.00 41.43 C ATOM 461 C GLY A 33 -6.023 -6.831 4.892 1.00 74.01 C ATOM 462 O GLY A 33 -5.373 -7.550 4.121 1.00 61.12 O ATOM 0 H GLY A 33 -7.238 -8.369 3.517 1.00 44.34 H new ATOM 0 HA2 GLY A 33 -8.038 -6.074 5.099 1.00 41.43 H new ATOM 0 HA3 GLY A 33 -7.733 -7.540 6.010 1.00 41.43 H new ATOM 466 N ARG A 34 -5.457 -5.858 5.597 1.00 54.32 N ATOM 467 CA ARG A 34 -4.034 -5.556 5.519 1.00 31.33 C ATOM 468 C ARG A 34 -3.258 -6.198 6.653 1.00 42.34 C ATOM 469 O ARG A 34 -3.813 -6.693 7.632 1.00 32.13 O ATOM 470 CB ARG A 34 -3.820 -4.029 5.509 1.00 63.30 C ATOM 471 CG ARG A 34 -4.234 -3.446 4.158 1.00 11.31 C ATOM 472 CD ARG A 34 -3.670 -2.043 3.947 1.00 60.52 C ATOM 473 NE ARG A 34 -3.827 -1.635 2.545 1.00 54.35 N ATOM 474 CZ ARG A 34 -3.784 -0.387 2.075 1.00 22.23 C ATOM 475 NH1 ARG A 34 -3.681 0.650 2.897 1.00 51.05 N ATOM 476 NH2 ARG A 34 -3.849 -0.190 0.768 1.00 13.32 N ATOM 0 H ARG A 34 -5.973 -5.256 6.239 1.00 54.32 H new ATOM 0 HA ARG A 34 -3.652 -5.977 4.589 1.00 31.33 H new ATOM 0 HB2 ARG A 34 -4.403 -3.568 6.306 1.00 63.30 H new ATOM 0 HB3 ARG A 34 -2.773 -3.800 5.706 1.00 63.30 H new ATOM 0 HG2 ARG A 34 -3.887 -4.101 3.358 1.00 11.31 H new ATOM 0 HG3 ARG A 34 -5.322 -3.413 4.094 1.00 11.31 H new ATOM 0 HD2 ARG A 34 -4.184 -1.336 4.598 1.00 60.52 H new ATOM 0 HD3 ARG A 34 -2.616 -2.022 4.223 1.00 60.52 H new ATOM 0 HE ARG A 34 -3.984 -2.378 1.864 1.00 54.35 H new ATOM 0 HH11 ARG A 34 -3.633 0.499 3.905 1.00 51.05 H new ATOM 0 HH12 ARG A 34 -3.649 1.598 2.521 1.00 51.05 H new ATOM 0 HH21 ARG A 34 -3.931 -0.986 0.136 1.00 13.32 H new ATOM 0 HH22 ARG A 34 -3.817 0.758 0.393 1.00 13.32 H new ATOM 490 N LYS A 35 -1.940 -6.147 6.511 1.00 73.11 N ATOM 491 CA LYS A 35 -0.924 -6.630 7.432 1.00 1.15 C ATOM 492 C LYS A 35 0.280 -5.696 7.381 1.00 4.51 C ATOM 493 O LYS A 35 1.378 -6.030 7.819 1.00 60.05 O ATOM 494 CB LYS A 35 -0.571 -8.086 7.089 1.00 11.23 C ATOM 495 CG LYS A 35 0.017 -8.845 8.288 1.00 31.23 C ATOM 496 CD LYS A 35 0.625 -10.188 7.873 1.00 4.40 C ATOM 497 CE LYS A 35 1.897 -9.995 7.031 1.00 1.15 C ATOM 498 NZ LYS A 35 2.592 -11.280 6.828 1.00 45.44 N ATOM 0 H LYS A 35 -1.521 -5.732 5.679 1.00 73.11 H new ATOM 0 HA LYS A 35 -1.293 -6.627 8.458 1.00 1.15 H new ATOM 0 HB2 LYS A 35 -1.466 -8.601 6.740 1.00 11.23 H new ATOM 0 HB3 LYS A 35 0.145 -8.099 6.268 1.00 11.23 H new ATOM 0 HG2 LYS A 35 0.782 -8.233 8.765 1.00 31.23 H new ATOM 0 HG3 LYS A 35 -0.764 -9.014 9.029 1.00 31.23 H new ATOM 0 HD2 LYS A 35 0.861 -10.772 8.763 1.00 4.40 H new ATOM 0 HD3 LYS A 35 -0.107 -10.759 7.302 1.00 4.40 H new ATOM 0 HE2 LYS A 35 1.637 -9.561 6.066 1.00 1.15 H new ATOM 0 HE3 LYS A 35 2.564 -9.290 7.528 1.00 1.15 H new ATOM 0 HZ1 LYS A 35 3.448 -11.126 6.257 1.00 45.44 H new ATOM 0 HZ2 LYS A 35 2.859 -11.680 7.750 1.00 45.44 H new ATOM 0 HZ3 LYS A 35 1.961 -11.942 6.333 1.00 45.44 H new ATOM 512 N ASP A 36 0.030 -4.490 6.891 1.00 43.22 N ATOM 513 CA ASP A 36 0.974 -3.412 6.687 1.00 45.14 C ATOM 514 C ASP A 36 0.790 -2.265 7.672 1.00 32.23 C ATOM 515 O ASP A 36 1.368 -1.196 7.497 1.00 51.14 O ATOM 516 CB ASP A 36 0.831 -2.991 5.225 1.00 11.35 C ATOM 517 CG ASP A 36 1.734 -3.842 4.326 1.00 45.11 C ATOM 518 OD1 ASP A 36 2.932 -3.998 4.649 1.00 1.20 O ATOM 519 OD2 ASP A 36 1.206 -4.482 3.384 1.00 64.22 O ATOM 0 H ASP A 36 -0.912 -4.224 6.605 1.00 43.22 H new ATOM 0 HA ASP A 36 1.993 -3.746 6.886 1.00 45.14 H new ATOM 0 HB2 ASP A 36 -0.207 -3.097 4.911 1.00 11.35 H new ATOM 0 HB3 ASP A 36 1.091 -1.938 5.117 1.00 11.35 H new ATOM 524 N TYR A 37 -0.049 -2.454 8.696 1.00 24.42 N ATOM 525 CA TYR A 37 -0.286 -1.448 9.721 1.00 74.44 C ATOM 526 C TYR A 37 1.059 -1.015 10.340 1.00 55.13 C ATOM 527 O TYR A 37 1.392 0.173 10.261 1.00 23.35 O ATOM 528 CB TYR A 37 -1.319 -1.898 10.761 1.00 32.42 C ATOM 529 CG TYR A 37 -2.258 -3.039 10.396 1.00 54.50 C ATOM 530 CD1 TYR A 37 -3.241 -2.908 9.389 1.00 52.54 C ATOM 531 CD2 TYR A 37 -2.212 -4.211 11.172 1.00 40.25 C ATOM 532 CE1 TYR A 37 -4.246 -3.887 9.255 1.00 24.00 C ATOM 533 CE2 TYR A 37 -3.194 -5.198 11.019 1.00 43.15 C ATOM 534 CZ TYR A 37 -4.248 -5.019 10.101 1.00 71.54 C ATOM 535 OH TYR A 37 -5.256 -5.937 10.062 1.00 4.52 O ATOM 0 H TYR A 37 -0.581 -3.313 8.832 1.00 24.42 H new ATOM 0 HA TYR A 37 -0.735 -0.572 9.254 1.00 74.44 H new ATOM 0 HB2 TYR A 37 -0.779 -2.187 11.663 1.00 32.42 H new ATOM 0 HB3 TYR A 37 -1.930 -1.033 11.019 1.00 32.42 H new ATOM 0 HD1 TYR A 37 -3.222 -2.058 8.723 1.00 52.54 H new ATOM 0 HD2 TYR A 37 -1.416 -4.351 11.889 1.00 40.25 H new ATOM 0 HE1 TYR A 37 -5.015 -3.772 8.505 1.00 24.00 H new ATOM 0 HE2 TYR A 37 -3.143 -6.102 11.608 1.00 43.15 H new ATOM 0 HH TYR A 37 -5.143 -6.514 9.278 1.00 4.52 H new ATOM 545 N PRO A 38 1.857 -1.926 10.936 1.00 51.23 N ATOM 546 CA PRO A 38 3.152 -1.579 11.506 1.00 50.30 C ATOM 547 C PRO A 38 4.134 -1.165 10.395 1.00 64.34 C ATOM 548 O PRO A 38 4.576 -2.005 9.603 1.00 41.34 O ATOM 549 CB PRO A 38 3.619 -2.828 12.260 1.00 11.33 C ATOM 550 CG PRO A 38 2.913 -3.982 11.549 1.00 11.41 C ATOM 551 CD PRO A 38 1.593 -3.348 11.133 1.00 31.44 C ATOM 0 HA PRO A 38 3.093 -0.725 12.181 1.00 50.30 H new ATOM 0 HB2 PRO A 38 4.703 -2.937 12.217 1.00 11.33 H new ATOM 0 HB3 PRO A 38 3.345 -2.782 13.314 1.00 11.33 H new ATOM 0 HG2 PRO A 38 3.481 -4.339 10.690 1.00 11.41 H new ATOM 0 HG3 PRO A 38 2.764 -4.836 12.210 1.00 11.41 H new ATOM 0 HD2 PRO A 38 1.217 -3.803 10.217 1.00 31.44 H new ATOM 0 HD3 PRO A 38 0.832 -3.498 11.899 1.00 31.44 H new ATOM 559 N ALA A 39 4.451 0.132 10.321 1.00 44.23 N ATOM 560 CA ALA A 39 5.377 0.702 9.345 1.00 4.54 C ATOM 561 C ALA A 39 6.807 0.255 9.662 1.00 42.04 C ATOM 562 O ALA A 39 7.115 -0.105 10.804 1.00 42.11 O ATOM 563 CB ALA A 39 5.264 2.229 9.370 1.00 34.55 C ATOM 0 H ALA A 39 4.060 0.829 10.955 1.00 44.23 H new ATOM 0 HA ALA A 39 5.123 0.349 8.346 1.00 4.54 H new ATOM 0 HB1 ALA A 39 5.954 2.657 8.643 1.00 34.55 H new ATOM 0 HB2 ALA A 39 4.245 2.523 9.120 1.00 34.55 H new ATOM 0 HB3 ALA A 39 5.513 2.596 10.366 1.00 34.55 H new ATOM 569 N LEU A 40 7.708 0.420 8.692 1.00 22.13 N ATOM 570 CA LEU A 40 9.121 0.055 8.720 1.00 42.21 C ATOM 571 C LEU A 40 9.256 -1.373 9.228 1.00 1.11 C ATOM 572 O LEU A 40 9.962 -1.661 10.198 1.00 44.44 O ATOM 573 CB LEU A 40 9.971 1.063 9.494 1.00 2.03 C ATOM 574 CG LEU A 40 10.008 2.479 8.902 1.00 13.25 C ATOM 575 CD1 LEU A 40 10.942 3.350 9.743 1.00 42.43 C ATOM 576 CD2 LEU A 40 10.469 2.517 7.445 1.00 64.31 C ATOM 0 H LEU A 40 7.447 0.844 7.802 1.00 22.13 H new ATOM 0 HA LEU A 40 9.520 0.091 7.706 1.00 42.21 H new ATOM 0 HB2 LEU A 40 9.594 1.123 10.515 1.00 2.03 H new ATOM 0 HB3 LEU A 40 10.991 0.684 9.553 1.00 2.03 H new ATOM 0 HG LEU A 40 8.986 2.856 8.922 1.00 13.25 H new ATOM 0 HD11 LEU A 40 10.973 4.357 9.327 1.00 42.43 H new ATOM 0 HD12 LEU A 40 10.575 3.392 10.769 1.00 42.43 H new ATOM 0 HD13 LEU A 40 11.945 2.923 9.733 1.00 42.43 H new ATOM 0 HD21 LEU A 40 10.471 3.548 7.091 1.00 64.31 H new ATOM 0 HD22 LEU A 40 11.476 2.106 7.371 1.00 64.31 H new ATOM 0 HD23 LEU A 40 9.789 1.925 6.833 1.00 64.31 H new ATOM 588 N LEU A 41 8.505 -2.258 8.581 1.00 20.53 N ATOM 589 CA LEU A 41 8.435 -3.689 8.841 1.00 74.32 C ATOM 590 C LEU A 41 9.843 -4.306 8.747 1.00 32.42 C ATOM 591 O LEU A 41 10.669 -3.804 7.975 1.00 41.10 O ATOM 592 CB LEU A 41 7.392 -4.283 7.881 1.00 71.21 C ATOM 593 CG LEU A 41 7.762 -4.242 6.385 1.00 54.44 C ATOM 594 CD1 LEU A 41 8.146 -5.627 5.868 1.00 1.01 C ATOM 595 CD2 LEU A 41 6.631 -3.644 5.540 1.00 23.00 C ATOM 0 H LEU A 41 7.893 -1.977 7.815 1.00 20.53 H new ATOM 0 HA LEU A 41 8.103 -3.918 9.853 1.00 74.32 H new ATOM 0 HB2 LEU A 41 7.213 -5.320 8.164 1.00 71.21 H new ATOM 0 HB3 LEU A 41 6.452 -3.749 8.019 1.00 71.21 H new ATOM 0 HG LEU A 41 8.631 -3.592 6.288 1.00 54.44 H new ATOM 0 HD11 LEU A 41 8.401 -5.563 4.810 1.00 1.01 H new ATOM 0 HD12 LEU A 41 9.005 -5.999 6.427 1.00 1.01 H new ATOM 0 HD13 LEU A 41 7.306 -6.310 5.998 1.00 1.01 H new ATOM 0 HD21 LEU A 41 6.928 -3.631 4.491 1.00 23.00 H new ATOM 0 HD22 LEU A 41 5.732 -4.249 5.655 1.00 23.00 H new ATOM 0 HD23 LEU A 41 6.428 -2.626 5.872 1.00 23.00 H new ATOM 607 N PRO A 42 10.148 -5.379 9.496 1.00 1.34 N ATOM 608 CA PRO A 42 11.468 -6.001 9.496 1.00 44.43 C ATOM 609 C PRO A 42 11.906 -6.526 8.129 1.00 32.04 C ATOM 610 O PRO A 42 11.085 -6.930 7.304 1.00 62.22 O ATOM 611 CB PRO A 42 11.414 -7.095 10.566 1.00 31.25 C ATOM 612 CG PRO A 42 9.929 -7.389 10.747 1.00 63.24 C ATOM 613 CD PRO A 42 9.265 -6.054 10.429 1.00 10.13 C ATOM 0 HA PRO A 42 12.234 -5.260 9.725 1.00 44.43 H new ATOM 0 HB2 PRO A 42 11.958 -7.985 10.250 1.00 31.25 H new ATOM 0 HB3 PRO A 42 11.867 -6.759 11.499 1.00 31.25 H new ATOM 0 HG2 PRO A 42 9.590 -8.177 10.074 1.00 63.24 H new ATOM 0 HG3 PRO A 42 9.705 -7.718 11.762 1.00 63.24 H new ATOM 0 HD2 PRO A 42 8.277 -6.204 9.993 1.00 10.13 H new ATOM 0 HD3 PRO A 42 9.127 -5.462 11.334 1.00 10.13 H new ATOM 621 N LEU A 43 13.226 -6.543 7.921 1.00 72.03 N ATOM 622 CA LEU A 43 13.879 -7.003 6.704 1.00 4.03 C ATOM 623 C LEU A 43 14.853 -8.109 7.081 1.00 11.43 C ATOM 624 O LEU A 43 15.862 -7.853 7.750 1.00 0.13 O ATOM 625 CB LEU A 43 14.623 -5.854 5.996 1.00 22.51 C ATOM 626 CG LEU A 43 13.812 -5.015 4.994 1.00 34.33 C ATOM 627 CD1 LEU A 43 14.828 -4.246 4.137 1.00 62.31 C ATOM 628 CD2 LEU A 43 12.905 -5.829 4.071 1.00 33.03 C ATOM 0 H LEU A 43 13.890 -6.223 8.627 1.00 72.03 H new ATOM 0 HA LEU A 43 13.127 -7.376 6.008 1.00 4.03 H new ATOM 0 HB2 LEU A 43 15.017 -5.183 6.760 1.00 22.51 H new ATOM 0 HB3 LEU A 43 15.479 -6.277 5.470 1.00 22.51 H new ATOM 0 HG LEU A 43 13.145 -4.369 5.565 1.00 34.33 H new ATOM 0 HD11 LEU A 43 14.299 -3.633 3.407 1.00 62.31 H new ATOM 0 HD12 LEU A 43 15.434 -3.605 4.778 1.00 62.31 H new ATOM 0 HD13 LEU A 43 15.474 -4.953 3.617 1.00 62.31 H new ATOM 0 HD21 LEU A 43 12.372 -5.156 3.399 1.00 33.03 H new ATOM 0 HD22 LEU A 43 13.509 -6.523 3.486 1.00 33.03 H new ATOM 0 HD23 LEU A 43 12.186 -6.389 4.669 1.00 33.03 H new ATOM 640 N ASN A 44 14.534 -9.336 6.683 1.00 54.33 N ATOM 641 CA ASN A 44 15.326 -10.531 6.936 1.00 1.33 C ATOM 642 C ASN A 44 16.485 -10.614 5.952 1.00 4.14 C ATOM 643 O ASN A 44 16.293 -11.035 4.815 1.00 72.33 O ATOM 644 CB ASN A 44 14.467 -11.789 6.772 1.00 43.23 C ATOM 645 CG ASN A 44 15.277 -13.061 7.005 1.00 61.02 C ATOM 646 OD1 ASN A 44 16.419 -13.043 7.453 1.00 43.55 O ATOM 647 ND2 ASN A 44 14.675 -14.198 6.721 1.00 25.01 N ATOM 0 H ASN A 44 13.683 -9.531 6.155 1.00 54.33 H new ATOM 0 HA ASN A 44 15.704 -10.471 7.957 1.00 1.33 H new ATOM 0 HB2 ASN A 44 13.634 -11.755 7.474 1.00 43.23 H new ATOM 0 HB3 ASN A 44 14.039 -11.809 5.770 1.00 43.23 H new ATOM 0 HD21 ASN A 44 15.159 -15.083 6.873 1.00 25.01 H new ATOM 0 HD22 ASN A 44 13.725 -14.193 6.349 1.00 25.01 H new ATOM 654 N GLU A 45 17.695 -10.262 6.386 1.00 53.04 N ATOM 655 CA GLU A 45 18.898 -10.304 5.552 1.00 54.33 C ATOM 656 C GLU A 45 19.139 -11.664 4.899 1.00 44.23 C ATOM 657 O GLU A 45 19.727 -11.714 3.822 1.00 73.34 O ATOM 658 CB GLU A 45 20.124 -9.923 6.388 1.00 50.35 C ATOM 659 CG GLU A 45 20.459 -10.918 7.515 1.00 64.42 C ATOM 660 CD GLU A 45 21.360 -10.277 8.563 1.00 42.22 C ATOM 661 OE1 GLU A 45 22.501 -9.872 8.224 1.00 12.42 O ATOM 662 OE2 GLU A 45 20.902 -10.092 9.713 1.00 44.41 O ATOM 0 H GLU A 45 17.870 -9.936 7.336 1.00 53.04 H new ATOM 0 HA GLU A 45 18.738 -9.587 4.747 1.00 54.33 H new ATOM 0 HB2 GLU A 45 20.987 -9.837 5.727 1.00 50.35 H new ATOM 0 HB3 GLU A 45 19.958 -8.939 6.826 1.00 50.35 H new ATOM 0 HG2 GLU A 45 19.538 -11.263 7.985 1.00 64.42 H new ATOM 0 HG3 GLU A 45 20.951 -11.795 7.095 1.00 64.42 H new ATOM 669 N SER A 46 18.711 -12.753 5.538 1.00 24.01 N ATOM 670 CA SER A 46 18.898 -14.092 5.016 1.00 40.45 C ATOM 671 C SER A 46 17.975 -14.356 3.820 1.00 63.21 C ATOM 672 O SER A 46 18.256 -15.256 3.029 1.00 42.34 O ATOM 673 CB SER A 46 18.652 -15.081 6.165 1.00 42.43 C ATOM 674 OG SER A 46 19.456 -16.232 6.019 1.00 13.30 O ATOM 0 H SER A 46 18.224 -12.723 6.434 1.00 24.01 H new ATOM 0 HA SER A 46 19.914 -14.215 4.641 1.00 40.45 H new ATOM 0 HB2 SER A 46 18.870 -14.599 7.118 1.00 42.43 H new ATOM 0 HB3 SER A 46 17.600 -15.367 6.185 1.00 42.43 H new ATOM 0 HG SER A 46 19.284 -16.847 6.762 1.00 13.30 H new ATOM 680 N GLU A 47 16.864 -13.624 3.689 1.00 23.21 N ATOM 681 CA GLU A 47 15.897 -13.772 2.604 1.00 43.15 C ATOM 682 C GLU A 47 16.279 -12.878 1.420 1.00 2.52 C ATOM 683 O GLU A 47 15.921 -13.172 0.277 1.00 13.43 O ATOM 684 CB GLU A 47 14.498 -13.476 3.178 1.00 62.45 C ATOM 685 CG GLU A 47 13.344 -14.134 2.408 1.00 63.14 C ATOM 686 CD GLU A 47 12.805 -13.347 1.217 1.00 74.21 C ATOM 687 OE1 GLU A 47 12.441 -12.156 1.361 1.00 21.51 O ATOM 688 OE2 GLU A 47 12.598 -13.968 0.147 1.00 63.51 O ATOM 0 H GLU A 47 16.609 -12.894 4.354 1.00 23.21 H new ATOM 0 HA GLU A 47 15.893 -14.787 2.208 1.00 43.15 H new ATOM 0 HB2 GLU A 47 14.465 -13.812 4.214 1.00 62.45 H new ATOM 0 HB3 GLU A 47 14.344 -12.397 3.188 1.00 62.45 H new ATOM 0 HG2 GLU A 47 13.678 -15.109 2.054 1.00 63.14 H new ATOM 0 HG3 GLU A 47 12.523 -14.312 3.103 1.00 63.14 H new ATOM 695 N LEU A 48 17.071 -11.835 1.676 1.00 55.51 N ATOM 696 CA LEU A 48 17.518 -10.889 0.661 1.00 53.31 C ATOM 697 C LEU A 48 18.754 -11.433 -0.057 1.00 1.21 C ATOM 698 O LEU A 48 19.238 -12.519 0.261 1.00 2.22 O ATOM 699 CB LEU A 48 17.840 -9.504 1.265 1.00 74.51 C ATOM 700 CG LEU A 48 16.819 -8.928 2.261 1.00 44.32 C ATOM 701 CD1 LEU A 48 17.168 -7.473 2.580 1.00 34.13 C ATOM 702 CD2 LEU A 48 15.359 -9.044 1.809 1.00 62.10 C ATOM 0 H LEU A 48 17.423 -11.624 2.610 1.00 55.51 H new ATOM 0 HA LEU A 48 16.701 -10.765 -0.050 1.00 53.31 H new ATOM 0 HB2 LEU A 48 18.805 -9.568 1.767 1.00 74.51 H new ATOM 0 HB3 LEU A 48 17.953 -8.794 0.446 1.00 74.51 H new ATOM 0 HG LEU A 48 16.893 -9.541 3.159 1.00 44.32 H new ATOM 0 HD11 LEU A 48 16.441 -7.071 3.286 1.00 34.13 H new ATOM 0 HD12 LEU A 48 18.165 -7.426 3.019 1.00 34.13 H new ATOM 0 HD13 LEU A 48 17.147 -6.884 1.663 1.00 34.13 H new ATOM 0 HD21 LEU A 48 14.707 -8.614 2.570 1.00 62.10 H new ATOM 0 HD22 LEU A 48 15.225 -8.507 0.870 1.00 62.10 H new ATOM 0 HD23 LEU A 48 15.105 -10.094 1.665 1.00 62.10 H new ATOM 714 N GLU A 49 19.240 -10.706 -1.065 1.00 10.52 N ATOM 715 CA GLU A 49 20.421 -11.062 -1.839 1.00 24.11 C ATOM 716 C GLU A 49 21.300 -9.812 -1.895 1.00 12.10 C ATOM 717 O GLU A 49 20.816 -8.679 -2.029 1.00 12.43 O ATOM 718 CB GLU A 49 20.068 -11.634 -3.221 1.00 75.40 C ATOM 719 CG GLU A 49 19.498 -10.592 -4.193 1.00 21.42 C ATOM 720 CD GLU A 49 19.181 -11.178 -5.568 1.00 10.51 C ATOM 721 OE1 GLU A 49 18.460 -12.192 -5.666 1.00 73.45 O ATOM 722 OE2 GLU A 49 19.628 -10.582 -6.579 1.00 0.25 O ATOM 0 H GLU A 49 18.810 -9.833 -1.370 1.00 10.52 H new ATOM 0 HA GLU A 49 20.970 -11.874 -1.363 1.00 24.11 H new ATOM 0 HB2 GLU A 49 20.962 -12.077 -3.660 1.00 75.40 H new ATOM 0 HB3 GLU A 49 19.342 -12.438 -3.097 1.00 75.40 H new ATOM 0 HG2 GLU A 49 18.591 -10.163 -3.768 1.00 21.42 H new ATOM 0 HG3 GLU A 49 20.213 -9.777 -4.306 1.00 21.42 H new ATOM 729 N GLU A 50 22.604 -10.009 -1.786 1.00 21.53 N ATOM 730 CA GLU A 50 23.601 -8.957 -1.791 1.00 14.40 C ATOM 731 C GLU A 50 24.680 -9.282 -2.802 1.00 63.11 C ATOM 732 O GLU A 50 24.858 -10.442 -3.162 1.00 34.13 O ATOM 733 CB GLU A 50 24.152 -8.780 -0.380 1.00 11.44 C ATOM 734 CG GLU A 50 24.668 -10.063 0.286 1.00 43.32 C ATOM 735 CD GLU A 50 24.978 -9.854 1.763 1.00 5.41 C ATOM 736 OE1 GLU A 50 24.966 -8.700 2.254 1.00 54.04 O ATOM 737 OE2 GLU A 50 25.272 -10.856 2.448 1.00 34.14 O ATOM 0 H GLU A 50 23.009 -10.940 -1.688 1.00 21.53 H new ATOM 0 HA GLU A 50 23.157 -8.008 -2.091 1.00 14.40 H new ATOM 0 HB2 GLU A 50 24.965 -8.055 -0.413 1.00 11.44 H new ATOM 0 HB3 GLU A 50 23.369 -8.353 0.248 1.00 11.44 H new ATOM 0 HG2 GLU A 50 23.923 -10.851 0.180 1.00 43.32 H new ATOM 0 HG3 GLU A 50 25.567 -10.402 -0.229 1.00 43.32 H new ATOM 744 N GLN A 51 25.398 -8.267 -3.280 1.00 53.12 N ATOM 745 CA GLN A 51 26.449 -8.452 -4.261 1.00 20.34 C ATOM 746 C GLN A 51 27.613 -7.579 -3.827 1.00 20.31 C ATOM 747 O GLN A 51 27.535 -6.350 -3.776 1.00 51.03 O ATOM 748 CB GLN A 51 25.932 -8.067 -5.648 1.00 42.21 C ATOM 749 CG GLN A 51 24.766 -8.959 -6.111 1.00 53.22 C ATOM 750 CD GLN A 51 24.059 -8.427 -7.347 1.00 45.41 C ATOM 751 OE1 GLN A 51 24.532 -8.611 -8.470 1.00 22.02 O ATOM 752 NE2 GLN A 51 22.897 -7.819 -7.178 1.00 61.54 N ATOM 0 H GLN A 51 25.263 -7.297 -2.994 1.00 53.12 H new ATOM 0 HA GLN A 51 26.772 -9.491 -4.322 1.00 20.34 H new ATOM 0 HB2 GLN A 51 25.607 -7.027 -5.635 1.00 42.21 H new ATOM 0 HB3 GLN A 51 26.747 -8.137 -6.368 1.00 42.21 H new ATOM 0 HG2 GLN A 51 25.143 -9.960 -6.319 1.00 53.22 H new ATOM 0 HG3 GLN A 51 24.044 -9.053 -5.300 1.00 53.22 H new ATOM 0 HE21 GLN A 51 22.527 -7.679 -6.238 1.00 61.54 H new ATOM 0 HE22 GLN A 51 22.371 -7.490 -7.988 1.00 61.54 H new ATOM 761 N PHE A 52 28.708 -8.275 -3.570 1.00 35.23 N ATOM 762 CA PHE A 52 29.973 -7.730 -3.119 1.00 1.34 C ATOM 763 C PHE A 52 30.678 -7.031 -4.279 1.00 61.20 C ATOM 764 O PHE A 52 30.339 -7.263 -5.445 1.00 24.42 O ATOM 765 CB PHE A 52 30.826 -8.883 -2.565 1.00 71.12 C ATOM 766 CG PHE A 52 30.150 -9.706 -1.481 1.00 42.43 C ATOM 767 CD1 PHE A 52 30.181 -9.281 -0.139 1.00 23.03 C ATOM 768 CD2 PHE A 52 29.475 -10.896 -1.816 1.00 13.41 C ATOM 769 CE1 PHE A 52 29.530 -10.031 0.859 1.00 0.24 C ATOM 770 CE2 PHE A 52 28.812 -11.634 -0.821 1.00 61.50 C ATOM 771 CZ PHE A 52 28.830 -11.200 0.513 1.00 72.03 C ATOM 0 H PHE A 52 28.737 -9.289 -3.677 1.00 35.23 H new ATOM 0 HA PHE A 52 29.814 -6.991 -2.333 1.00 1.34 H new ATOM 0 HB2 PHE A 52 31.098 -9.544 -3.388 1.00 71.12 H new ATOM 0 HB3 PHE A 52 31.753 -8.472 -2.166 1.00 71.12 H new ATOM 0 HD1 PHE A 52 30.707 -8.376 0.126 1.00 23.03 H new ATOM 0 HD2 PHE A 52 29.467 -11.242 -2.839 1.00 13.41 H new ATOM 0 HE1 PHE A 52 29.568 -9.709 1.889 1.00 0.24 H new ATOM 0 HE2 PHE A 52 28.286 -12.540 -1.084 1.00 61.50 H new ATOM 0 HZ PHE A 52 28.307 -11.763 1.272 1.00 72.03 H new ATOM 781 N VAL A 53 31.666 -6.192 -3.972 1.00 64.10 N ATOM 782 CA VAL A 53 32.435 -5.439 -4.955 1.00 14.33 C ATOM 783 C VAL A 53 33.918 -5.658 -4.652 1.00 70.01 C ATOM 784 O VAL A 53 34.369 -5.447 -3.525 1.00 55.44 O ATOM 785 CB VAL A 53 32.019 -3.950 -4.929 1.00 63.33 C ATOM 786 CG1 VAL A 53 32.769 -3.136 -5.998 1.00 63.21 C ATOM 787 CG2 VAL A 53 30.508 -3.780 -5.173 1.00 74.10 C ATOM 0 H VAL A 53 31.959 -6.015 -3.011 1.00 64.10 H new ATOM 0 HA VAL A 53 32.238 -5.785 -5.970 1.00 14.33 H new ATOM 0 HB VAL A 53 32.276 -3.581 -3.936 1.00 63.33 H new ATOM 0 HG11 VAL A 53 32.452 -2.094 -5.951 1.00 63.21 H new ATOM 0 HG12 VAL A 53 33.842 -3.197 -5.816 1.00 63.21 H new ATOM 0 HG13 VAL A 53 32.545 -3.539 -6.986 1.00 63.21 H new ATOM 0 HG21 VAL A 53 30.252 -2.721 -5.148 1.00 74.10 H new ATOM 0 HG22 VAL A 53 30.248 -4.193 -6.148 1.00 74.10 H new ATOM 0 HG23 VAL A 53 29.953 -4.306 -4.396 1.00 74.10 H new ATOM 797 N LYS A 54 34.670 -6.095 -5.662 1.00 40.31 N ATOM 798 CA LYS A 54 36.108 -6.364 -5.617 1.00 3.24 C ATOM 799 C LYS A 54 36.841 -5.624 -6.740 1.00 51.20 C ATOM 800 O LYS A 54 38.061 -5.509 -6.676 1.00 62.13 O ATOM 801 CB LYS A 54 36.357 -7.882 -5.701 1.00 64.34 C ATOM 802 CG LYS A 54 35.946 -8.646 -4.430 1.00 61.55 C ATOM 803 CD LYS A 54 37.012 -8.595 -3.323 1.00 72.44 C ATOM 804 CE LYS A 54 36.509 -9.174 -1.990 1.00 21.35 C ATOM 805 NZ LYS A 54 35.902 -10.514 -2.137 1.00 41.12 N ATOM 0 H LYS A 54 34.272 -6.281 -6.582 1.00 40.31 H new ATOM 0 HA LYS A 54 36.504 -5.996 -4.671 1.00 3.24 H new ATOM 0 HB2 LYS A 54 35.807 -8.285 -6.551 1.00 64.34 H new ATOM 0 HB3 LYS A 54 37.415 -8.058 -5.894 1.00 64.34 H new ATOM 0 HG2 LYS A 54 35.014 -8.229 -4.048 1.00 61.55 H new ATOM 0 HG3 LYS A 54 35.748 -9.686 -4.687 1.00 61.55 H new ATOM 0 HD2 LYS A 54 37.893 -9.150 -3.646 1.00 72.44 H new ATOM 0 HD3 LYS A 54 37.324 -7.562 -3.171 1.00 72.44 H new ATOM 0 HE2 LYS A 54 37.341 -9.233 -1.288 1.00 21.35 H new ATOM 0 HE3 LYS A 54 35.775 -8.494 -1.558 1.00 21.35 H new ATOM 0 HZ1 LYS A 54 35.674 -10.897 -1.197 1.00 41.12 H new ATOM 0 HZ2 LYS A 54 35.032 -10.441 -2.702 1.00 41.12 H new ATOM 0 HZ3 LYS A 54 36.573 -11.148 -2.616 1.00 41.12 H new ATOM 819 N GLY A 55 36.116 -5.064 -7.711 1.00 64.31 N ATOM 820 CA GLY A 55 36.623 -4.319 -8.849 1.00 63.53 C ATOM 821 C GLY A 55 36.060 -4.887 -10.148 1.00 5.04 C ATOM 822 O GLY A 55 35.763 -6.082 -10.245 1.00 73.05 O ATOM 0 H GLY A 55 35.098 -5.127 -7.717 1.00 64.31 H new ATOM 0 HA2 GLY A 55 36.349 -3.268 -8.755 1.00 63.53 H new ATOM 0 HA3 GLY A 55 37.712 -4.365 -8.866 1.00 63.53 H new ATOM 826 N HIS A 56 35.903 -4.022 -11.149 1.00 5.42 N ATOM 827 CA HIS A 56 35.402 -4.319 -12.483 1.00 72.10 C ATOM 828 C HIS A 56 35.697 -3.083 -13.335 1.00 14.14 C ATOM 829 O HIS A 56 35.371 -1.968 -12.916 1.00 50.51 O ATOM 830 CB HIS A 56 33.885 -4.595 -12.454 1.00 71.21 C ATOM 831 CG HIS A 56 33.246 -4.481 -13.818 1.00 63.41 C ATOM 832 ND1 HIS A 56 33.473 -5.302 -14.902 1.00 42.42 N ATOM 833 CD2 HIS A 56 32.448 -3.451 -14.238 1.00 51.22 C ATOM 834 CE1 HIS A 56 32.835 -4.765 -15.957 1.00 40.34 C ATOM 835 NE2 HIS A 56 32.214 -3.623 -15.603 1.00 11.54 N ATOM 0 H HIS A 56 36.138 -3.035 -11.040 1.00 5.42 H new ATOM 0 HA HIS A 56 35.880 -5.211 -12.888 1.00 72.10 H new ATOM 0 HB2 HIS A 56 33.709 -5.595 -12.057 1.00 71.21 H new ATOM 0 HB3 HIS A 56 33.405 -3.893 -11.772 1.00 71.21 H new ATOM 0 HD2 HIS A 56 32.068 -2.649 -13.623 1.00 51.22 H new ATOM 0 HE1 HIS A 56 32.822 -5.190 -16.950 1.00 40.34 H new ATOM 0 HE2 HIS A 56 31.678 -3.005 -16.213 1.00 11.54 H new ATOM 843 N GLY A 57 36.297 -3.257 -14.510 1.00 3.15 N ATOM 844 CA GLY A 57 36.618 -2.164 -15.417 1.00 0.35 C ATOM 845 C GLY A 57 37.505 -2.652 -16.561 1.00 23.02 C ATOM 846 O GLY A 57 38.061 -3.749 -16.461 1.00 11.54 O ATOM 0 H GLY A 57 36.576 -4.173 -14.861 1.00 3.15 H new ATOM 0 HA2 GLY A 57 35.699 -1.738 -15.820 1.00 0.35 H new ATOM 0 HA3 GLY A 57 37.126 -1.369 -14.871 1.00 0.35 H new ATOM 850 N PRO A 58 37.698 -1.843 -17.614 1.00 63.52 N ATOM 851 CA PRO A 58 38.524 -2.218 -18.757 1.00 32.10 C ATOM 852 C PRO A 58 40.029 -2.239 -18.458 1.00 53.21 C ATOM 853 O PRO A 58 40.780 -2.863 -19.207 1.00 60.30 O ATOM 854 CB PRO A 58 38.175 -1.207 -19.848 1.00 13.22 C ATOM 855 CG PRO A 58 37.709 0.028 -19.091 1.00 40.12 C ATOM 856 CD PRO A 58 37.079 -0.542 -17.823 1.00 52.24 C ATOM 0 HA PRO A 58 38.313 -3.245 -19.056 1.00 32.10 H new ATOM 0 HB2 PRO A 58 39.039 -0.986 -20.474 1.00 13.22 H new ATOM 0 HB3 PRO A 58 37.393 -1.587 -20.506 1.00 13.22 H new ATOM 0 HG2 PRO A 58 38.541 0.694 -18.861 1.00 40.12 H new ATOM 0 HG3 PRO A 58 36.989 0.606 -19.671 1.00 40.12 H new ATOM 0 HD2 PRO A 58 37.255 0.115 -16.971 1.00 52.24 H new ATOM 0 HD3 PRO A 58 35.999 -0.638 -17.934 1.00 52.24 H new ATOM 864 N GLY A 59 40.473 -1.606 -17.365 1.00 74.24 N ATOM 865 CA GLY A 59 41.875 -1.570 -16.982 1.00 63.43 C ATOM 866 C GLY A 59 42.714 -0.697 -17.916 1.00 54.24 C ATOM 867 O GLY A 59 42.197 0.170 -18.628 1.00 11.52 O ATOM 0 H GLY A 59 39.860 -1.104 -16.723 1.00 74.24 H new ATOM 0 HA2 GLY A 59 41.961 -1.193 -15.963 1.00 63.43 H new ATOM 0 HA3 GLY A 59 42.274 -2.584 -16.981 1.00 63.43 H new ATOM 871 N GLY A 60 44.029 -0.920 -17.890 1.00 52.14 N ATOM 872 CA GLY A 60 44.981 -0.179 -18.700 1.00 55.12 C ATOM 873 C GLY A 60 44.919 1.296 -18.322 1.00 65.02 C ATOM 874 O GLY A 60 45.006 1.639 -17.144 1.00 1.24 O ATOM 0 H GLY A 60 44.462 -1.629 -17.298 1.00 52.14 H new ATOM 0 HA2 GLY A 60 45.988 -0.565 -18.543 1.00 55.12 H new ATOM 0 HA3 GLY A 60 44.752 -0.306 -19.758 1.00 55.12 H new ATOM 878 N GLN A 61 44.731 2.164 -19.316 1.00 23.24 N ATOM 879 CA GLN A 61 44.663 3.606 -19.111 1.00 51.34 C ATOM 880 C GLN A 61 43.422 4.035 -18.312 1.00 12.22 C ATOM 881 O GLN A 61 43.373 5.169 -17.836 1.00 74.45 O ATOM 882 CB GLN A 61 44.696 4.344 -20.465 1.00 32.11 C ATOM 883 CG GLN A 61 45.779 3.871 -21.453 1.00 24.34 C ATOM 884 CD GLN A 61 47.163 3.750 -20.818 1.00 73.14 C ATOM 885 OE1 GLN A 61 47.608 2.659 -20.497 1.00 20.24 O ATOM 886 NE2 GLN A 61 47.862 4.855 -20.609 1.00 11.24 N ATOM 0 H GLN A 61 44.621 1.882 -20.290 1.00 23.24 H new ATOM 0 HA GLN A 61 45.538 3.880 -18.521 1.00 51.34 H new ATOM 0 HB2 GLN A 61 43.722 4.235 -20.942 1.00 32.11 H new ATOM 0 HB3 GLN A 61 44.841 5.408 -20.276 1.00 32.11 H new ATOM 0 HG2 GLN A 61 45.489 2.904 -21.864 1.00 24.34 H new ATOM 0 HG3 GLN A 61 45.830 4.570 -22.288 1.00 24.34 H new ATOM 0 HE21 GLN A 61 47.479 5.760 -20.882 1.00 11.24 H new ATOM 0 HE22 GLN A 61 48.784 4.801 -20.175 1.00 11.24 H new ATOM 895 N ALA A 62 42.396 3.183 -18.194 1.00 61.33 N ATOM 896 CA ALA A 62 41.188 3.509 -17.458 1.00 23.11 C ATOM 897 C ALA A 62 41.437 3.299 -15.964 1.00 24.30 C ATOM 898 O ALA A 62 41.135 2.235 -15.419 1.00 11.14 O ATOM 899 CB ALA A 62 40.018 2.666 -17.965 1.00 24.12 C ATOM 0 H ALA A 62 42.389 2.251 -18.609 1.00 61.33 H new ATOM 0 HA ALA A 62 40.925 4.555 -17.616 1.00 23.11 H new ATOM 0 HB1 ALA A 62 39.118 2.919 -17.405 1.00 24.12 H new ATOM 0 HB2 ALA A 62 39.856 2.868 -19.024 1.00 24.12 H new ATOM 0 HB3 ALA A 62 40.245 1.609 -17.828 1.00 24.12 H new ATOM 905 N THR A 63 41.973 4.319 -15.295 1.00 53.30 N ATOM 906 CA THR A 63 42.265 4.297 -13.870 1.00 54.34 C ATOM 907 C THR A 63 40.939 4.296 -13.086 1.00 52.13 C ATOM 908 O THR A 63 40.421 5.362 -12.736 1.00 72.31 O ATOM 909 CB THR A 63 43.177 5.487 -13.518 1.00 62.41 C ATOM 910 OG1 THR A 63 42.593 6.700 -13.954 1.00 42.01 O ATOM 911 CG2 THR A 63 44.564 5.363 -14.158 1.00 21.22 C ATOM 0 H THR A 63 42.220 5.202 -15.743 1.00 53.30 H new ATOM 0 HA THR A 63 42.805 3.392 -13.592 1.00 54.34 H new ATOM 0 HB THR A 63 43.290 5.483 -12.434 1.00 62.41 H new ATOM 0 HG1 THR A 63 41.647 6.718 -13.699 1.00 42.01 H new ATOM 0 HG21 THR A 63 45.171 6.225 -13.881 1.00 21.22 H new ATOM 0 HG22 THR A 63 45.047 4.451 -13.806 1.00 21.22 H new ATOM 0 HG23 THR A 63 44.462 5.324 -15.243 1.00 21.22 H new ATOM 919 N ASN A 64 40.374 3.111 -12.854 1.00 25.55 N ATOM 920 CA ASN A 64 39.126 2.882 -12.129 1.00 12.55 C ATOM 921 C ASN A 64 39.276 3.270 -10.649 1.00 2.34 C ATOM 922 O ASN A 64 40.383 3.496 -10.154 1.00 52.40 O ATOM 923 CB ASN A 64 38.693 1.407 -12.335 1.00 73.32 C ATOM 924 CG ASN A 64 38.319 0.654 -11.060 1.00 23.40 C ATOM 925 OD1 ASN A 64 39.175 0.168 -10.329 1.00 73.12 O ATOM 926 ND2 ASN A 64 37.044 0.547 -10.735 1.00 4.21 N ATOM 0 H ASN A 64 40.796 2.243 -13.183 1.00 25.55 H new ATOM 0 HA ASN A 64 38.334 3.520 -12.522 1.00 12.55 H new ATOM 0 HB2 ASN A 64 37.840 1.387 -13.013 1.00 73.32 H new ATOM 0 HB3 ASN A 64 39.505 0.873 -12.828 1.00 73.32 H new ATOM 0 HD21 ASN A 64 36.775 0.062 -9.879 1.00 4.21 H new ATOM 0 HD22 ASN A 64 36.328 0.950 -11.340 1.00 4.21 H new ATOM 933 N LYS A 65 38.153 3.391 -9.934 1.00 30.33 N ATOM 934 CA LYS A 65 38.110 3.729 -8.516 1.00 22.34 C ATOM 935 C LYS A 65 37.267 2.674 -7.809 1.00 13.21 C ATOM 936 O LYS A 65 36.058 2.834 -7.614 1.00 2.41 O ATOM 937 CB LYS A 65 37.644 5.177 -8.261 1.00 53.10 C ATOM 938 CG LYS A 65 38.749 6.215 -8.545 1.00 23.25 C ATOM 939 CD LYS A 65 38.793 6.714 -9.999 1.00 62.34 C ATOM 940 CE LYS A 65 40.206 7.136 -10.429 1.00 54.10 C ATOM 941 NZ LYS A 65 40.755 8.270 -9.649 1.00 71.50 N ATOM 0 H LYS A 65 37.228 3.252 -10.340 1.00 30.33 H new ATOM 0 HA LYS A 65 39.116 3.711 -8.098 1.00 22.34 H new ATOM 0 HB2 LYS A 65 36.779 5.392 -8.888 1.00 53.10 H new ATOM 0 HB3 LYS A 65 37.318 5.273 -7.225 1.00 53.10 H new ATOM 0 HG2 LYS A 65 38.606 7.070 -7.884 1.00 23.25 H new ATOM 0 HG3 LYS A 65 39.715 5.777 -8.295 1.00 23.25 H new ATOM 0 HD2 LYS A 65 38.434 5.927 -10.662 1.00 62.34 H new ATOM 0 HD3 LYS A 65 38.114 7.559 -10.111 1.00 62.34 H new ATOM 0 HE2 LYS A 65 40.876 6.282 -10.331 1.00 54.10 H new ATOM 0 HE3 LYS A 65 40.188 7.408 -11.484 1.00 54.10 H new ATOM 0 HZ1 LYS A 65 41.709 8.499 -9.994 1.00 71.50 H new ATOM 0 HZ2 LYS A 65 40.138 9.100 -9.761 1.00 71.50 H new ATOM 0 HZ3 LYS A 65 40.804 8.008 -8.644 1.00 71.50 H new ATOM 955 N THR A 66 37.889 1.536 -7.513 1.00 63.45 N ATOM 956 CA THR A 66 37.248 0.437 -6.809 1.00 72.01 C ATOM 957 C THR A 66 37.229 0.806 -5.318 1.00 53.13 C ATOM 958 O THR A 66 38.054 1.590 -4.849 1.00 3.11 O ATOM 959 CB THR A 66 38.031 -0.853 -7.115 1.00 33.11 C ATOM 960 OG1 THR A 66 37.796 -1.186 -8.468 1.00 22.02 O ATOM 961 CG2 THR A 66 37.602 -2.061 -6.281 1.00 51.43 C ATOM 0 H THR A 66 38.862 1.352 -7.759 1.00 63.45 H new ATOM 0 HA THR A 66 36.219 0.263 -7.125 1.00 72.01 H new ATOM 0 HB THR A 66 39.076 -0.648 -6.882 1.00 33.11 H new ATOM 0 HG1 THR A 66 38.525 -0.837 -9.022 1.00 22.02 H new ATOM 0 HG21 THR A 66 38.203 -2.927 -6.559 1.00 51.43 H new ATOM 0 HG22 THR A 66 37.748 -1.843 -5.223 1.00 51.43 H new ATOM 0 HG23 THR A 66 36.549 -2.275 -6.466 1.00 51.43 H new ATOM 969 N SER A 67 36.257 0.294 -4.564 1.00 1.15 N ATOM 970 CA SER A 67 36.114 0.531 -3.133 1.00 54.33 C ATOM 971 C SER A 67 35.284 -0.615 -2.542 1.00 13.21 C ATOM 972 O SER A 67 34.665 -1.377 -3.289 1.00 73.33 O ATOM 973 CB SER A 67 35.510 1.926 -2.877 1.00 21.43 C ATOM 974 OG SER A 67 34.452 2.239 -3.766 1.00 61.24 O ATOM 0 H SER A 67 35.530 -0.312 -4.944 1.00 1.15 H new ATOM 0 HA SER A 67 37.083 0.537 -2.634 1.00 54.33 H new ATOM 0 HB2 SER A 67 35.143 1.975 -1.852 1.00 21.43 H new ATOM 0 HB3 SER A 67 36.293 2.679 -2.972 1.00 21.43 H new ATOM 0 HG SER A 67 34.104 3.132 -3.559 1.00 61.24 H new ATOM 980 N ASN A 68 35.257 -0.732 -1.209 1.00 41.14 N ATOM 981 CA ASN A 68 34.532 -1.761 -0.450 1.00 61.32 C ATOM 982 C ASN A 68 33.017 -1.495 -0.432 1.00 64.53 C ATOM 983 O ASN A 68 32.392 -1.504 0.630 1.00 43.21 O ATOM 984 CB ASN A 68 35.095 -1.855 0.986 1.00 74.34 C ATOM 985 CG ASN A 68 36.507 -2.415 1.018 1.00 75.31 C ATOM 986 OD1 ASN A 68 36.721 -3.584 0.745 1.00 53.05 O ATOM 987 ND2 ASN A 68 37.508 -1.608 1.335 1.00 51.02 N ATOM 0 H ASN A 68 35.761 -0.085 -0.603 1.00 41.14 H new ATOM 0 HA ASN A 68 34.682 -2.718 -0.950 1.00 61.32 H new ATOM 0 HB2 ASN A 68 35.089 -0.865 1.441 1.00 74.34 H new ATOM 0 HB3 ASN A 68 34.443 -2.487 1.589 1.00 74.34 H new ATOM 0 HD21 ASN A 68 38.464 -1.963 1.352 1.00 51.02 H new ATOM 0 HD22 ASN A 68 37.323 -0.631 1.562 1.00 51.02 H new ATOM 994 N CYS A 69 32.431 -1.149 -1.579 1.00 55.01 N ATOM 995 CA CYS A 69 31.007 -0.883 -1.696 1.00 61.25 C ATOM 996 C CYS A 69 30.237 -2.179 -1.441 1.00 11.14 C ATOM 997 O CYS A 69 30.770 -3.286 -1.566 1.00 14.21 O ATOM 998 CB CYS A 69 30.723 -0.274 -3.078 1.00 2.25 C ATOM 999 SG CYS A 69 29.024 0.364 -3.225 1.00 61.11 S ATOM 0 H CYS A 69 32.940 -1.046 -2.457 1.00 55.01 H new ATOM 0 HA CYS A 69 30.675 -0.159 -0.952 1.00 61.25 H new ATOM 0 HB2 CYS A 69 31.429 0.535 -3.267 1.00 2.25 H new ATOM 0 HB3 CYS A 69 30.891 -1.029 -3.846 1.00 2.25 H new ATOM 0 HG CYS A 69 28.544 0.597 -2.040 1.00 61.11 H new ATOM 1005 N VAL A 70 28.971 -2.022 -1.092 1.00 31.53 N ATOM 1006 CA VAL A 70 28.019 -3.067 -0.779 1.00 34.51 C ATOM 1007 C VAL A 70 26.767 -2.717 -1.574 1.00 35.42 C ATOM 1008 O VAL A 70 26.315 -1.566 -1.543 1.00 43.24 O ATOM 1009 CB VAL A 70 27.854 -3.061 0.758 1.00 2.25 C ATOM 1010 CG1 VAL A 70 26.552 -3.616 1.339 1.00 61.32 C ATOM 1011 CG2 VAL A 70 29.024 -3.838 1.388 1.00 42.53 C ATOM 0 H VAL A 70 28.555 -1.094 -1.015 1.00 31.53 H new ATOM 0 HA VAL A 70 28.307 -4.082 -1.051 1.00 34.51 H new ATOM 0 HB VAL A 70 27.835 -2.000 1.008 1.00 2.25 H new ATOM 0 HG11 VAL A 70 26.580 -3.547 2.426 1.00 61.32 H new ATOM 0 HG12 VAL A 70 25.709 -3.038 0.960 1.00 61.32 H new ATOM 0 HG13 VAL A 70 26.438 -4.659 1.045 1.00 61.32 H new ATOM 0 HG21 VAL A 70 28.917 -3.840 2.473 1.00 42.53 H new ATOM 0 HG22 VAL A 70 29.019 -4.864 1.021 1.00 42.53 H new ATOM 0 HG23 VAL A 70 29.966 -3.361 1.117 1.00 42.53 H new ATOM 1021 N VAL A 71 26.218 -3.684 -2.311 1.00 70.44 N ATOM 1022 CA VAL A 71 25.026 -3.487 -3.122 1.00 40.03 C ATOM 1023 C VAL A 71 23.970 -4.473 -2.642 1.00 11.24 C ATOM 1024 O VAL A 71 24.174 -5.694 -2.600 1.00 53.21 O ATOM 1025 CB VAL A 71 25.331 -3.563 -4.629 1.00 64.42 C ATOM 1026 CG1 VAL A 71 24.095 -3.084 -5.410 1.00 73.14 C ATOM 1027 CG2 VAL A 71 26.544 -2.690 -5.007 1.00 61.13 C ATOM 0 H VAL A 71 26.594 -4.631 -2.359 1.00 70.44 H new ATOM 0 HA VAL A 71 24.634 -2.478 -2.993 1.00 40.03 H new ATOM 0 HB VAL A 71 25.570 -4.596 -4.881 1.00 64.42 H new ATOM 0 HG11 VAL A 71 24.299 -3.133 -6.480 1.00 73.14 H new ATOM 0 HG12 VAL A 71 23.245 -3.723 -5.173 1.00 73.14 H new ATOM 0 HG13 VAL A 71 23.865 -2.056 -5.132 1.00 73.14 H new ATOM 0 HG21 VAL A 71 26.729 -2.769 -6.078 1.00 61.13 H new ATOM 0 HG22 VAL A 71 26.339 -1.651 -4.750 1.00 61.13 H new ATOM 0 HG23 VAL A 71 27.423 -3.032 -4.461 1.00 61.13 H new ATOM 1037 N LEU A 72 22.845 -3.930 -2.192 1.00 24.13 N ATOM 1038 CA LEU A 72 21.719 -4.684 -1.684 1.00 35.02 C ATOM 1039 C LEU A 72 20.532 -4.375 -2.577 1.00 3.11 C ATOM 1040 O LEU A 72 20.378 -3.238 -3.035 1.00 2.34 O ATOM 1041 CB LEU A 72 21.438 -4.249 -0.240 1.00 61.51 C ATOM 1042 CG LEU A 72 20.409 -5.143 0.474 1.00 41.54 C ATOM 1043 CD1 LEU A 72 20.968 -6.527 0.824 1.00 2.50 C ATOM 1044 CD2 LEU A 72 19.985 -4.445 1.763 1.00 43.43 C ATOM 0 H LEU A 72 22.693 -2.922 -2.173 1.00 24.13 H new ATOM 0 HA LEU A 72 21.918 -5.756 -1.686 1.00 35.02 H new ATOM 0 HB2 LEU A 72 22.371 -4.259 0.323 1.00 61.51 H new ATOM 0 HB3 LEU A 72 21.077 -3.220 -0.241 1.00 61.51 H new ATOM 0 HG LEU A 72 19.569 -5.294 -0.204 1.00 41.54 H new ATOM 0 HD11 LEU A 72 20.199 -7.114 1.326 1.00 2.50 H new ATOM 0 HD12 LEU A 72 21.276 -7.037 -0.089 1.00 2.50 H new ATOM 0 HD13 LEU A 72 21.828 -6.416 1.485 1.00 2.50 H new ATOM 0 HD21 LEU A 72 19.254 -5.061 2.287 1.00 43.43 H new ATOM 0 HD22 LEU A 72 20.857 -4.295 2.400 1.00 43.43 H new ATOM 0 HD23 LEU A 72 19.540 -3.479 1.524 1.00 43.43 H new ATOM 1056 N LYS A 73 19.710 -5.383 -2.839 1.00 32.45 N ATOM 1057 CA LYS A 73 18.525 -5.232 -3.658 1.00 63.30 C ATOM 1058 C LYS A 73 17.422 -6.049 -3.025 1.00 33.10 C ATOM 1059 O LYS A 73 17.694 -7.032 -2.332 1.00 21.42 O ATOM 1060 CB LYS A 73 18.802 -5.612 -5.128 1.00 41.54 C ATOM 1061 CG LYS A 73 18.970 -7.120 -5.388 1.00 51.21 C ATOM 1062 CD LYS A 73 17.683 -7.784 -5.903 1.00 11.31 C ATOM 1063 CE LYS A 73 17.519 -7.697 -7.424 1.00 13.33 C ATOM 1064 NZ LYS A 73 18.482 -8.568 -8.137 1.00 71.32 N ATOM 0 H LYS A 73 19.851 -6.330 -2.486 1.00 32.45 H new ATOM 0 HA LYS A 73 18.211 -4.189 -3.695 1.00 63.30 H new ATOM 0 HB2 LYS A 73 17.983 -5.241 -5.744 1.00 41.54 H new ATOM 0 HB3 LYS A 73 19.706 -5.099 -5.456 1.00 41.54 H new ATOM 0 HG2 LYS A 73 19.768 -7.272 -6.115 1.00 51.21 H new ATOM 0 HG3 LYS A 73 19.282 -7.610 -4.466 1.00 51.21 H new ATOM 0 HD2 LYS A 73 17.679 -8.832 -5.604 1.00 11.31 H new ATOM 0 HD3 LYS A 73 16.824 -7.313 -5.425 1.00 11.31 H new ATOM 0 HE2 LYS A 73 16.503 -7.982 -7.696 1.00 13.33 H new ATOM 0 HE3 LYS A 73 17.657 -6.665 -7.745 1.00 13.33 H new ATOM 0 HZ1 LYS A 73 18.018 -8.995 -8.964 1.00 71.32 H new ATOM 0 HZ2 LYS A 73 19.296 -8.002 -8.451 1.00 71.32 H new ATOM 0 HZ3 LYS A 73 18.809 -9.320 -7.497 1.00 71.32 H new ATOM 1078 N HIS A 74 16.187 -5.629 -3.246 1.00 11.24 N ATOM 1079 CA HIS A 74 14.998 -6.280 -2.747 1.00 71.13 C ATOM 1080 C HIS A 74 14.465 -7.081 -3.922 1.00 3.03 C ATOM 1081 O HIS A 74 14.157 -6.505 -4.956 1.00 12.24 O ATOM 1082 CB HIS A 74 13.994 -5.248 -2.222 1.00 4.13 C ATOM 1083 CG HIS A 74 13.270 -5.814 -1.038 1.00 54.44 C ATOM 1084 ND1 HIS A 74 11.962 -6.226 -1.010 1.00 40.30 N ATOM 1085 CD2 HIS A 74 13.845 -6.153 0.156 1.00 4.43 C ATOM 1086 CE1 HIS A 74 11.761 -6.828 0.174 1.00 2.22 C ATOM 1087 NE2 HIS A 74 12.878 -6.797 0.920 1.00 2.51 N ATOM 0 H HIS A 74 15.983 -4.796 -3.798 1.00 11.24 H new ATOM 0 HA HIS A 74 15.198 -6.933 -1.897 1.00 71.13 H new ATOM 0 HB2 HIS A 74 14.512 -4.331 -1.941 1.00 4.13 H new ATOM 0 HB3 HIS A 74 13.283 -4.985 -3.005 1.00 4.13 H new ATOM 0 HD1 HIS A 74 11.271 -6.099 -1.750 1.00 40.30 H new ATOM 0 HD2 HIS A 74 14.865 -5.956 0.452 1.00 4.43 H new ATOM 0 HE1 HIS A 74 10.828 -7.276 0.484 1.00 2.22 H new ATOM 1095 N VAL A 75 14.420 -8.398 -3.819 1.00 74.53 N ATOM 1096 CA VAL A 75 13.951 -9.278 -4.879 1.00 62.42 C ATOM 1097 C VAL A 75 12.467 -9.051 -5.202 1.00 3.23 C ATOM 1098 O VAL A 75 12.177 -8.691 -6.345 1.00 61.41 O ATOM 1099 CB VAL A 75 14.325 -10.726 -4.506 1.00 33.32 C ATOM 1100 CG1 VAL A 75 13.574 -11.801 -5.290 1.00 13.22 C ATOM 1101 CG2 VAL A 75 15.823 -10.899 -4.759 1.00 13.41 C ATOM 0 H VAL A 75 14.714 -8.897 -2.980 1.00 74.53 H new ATOM 0 HA VAL A 75 14.448 -9.046 -5.821 1.00 62.42 H new ATOM 0 HB VAL A 75 14.046 -10.865 -3.461 1.00 33.32 H new ATOM 0 HG11 VAL A 75 13.902 -12.787 -4.961 1.00 13.22 H new ATOM 0 HG12 VAL A 75 12.503 -11.697 -5.115 1.00 13.22 H new ATOM 0 HG13 VAL A 75 13.781 -11.687 -6.354 1.00 13.22 H new ATOM 0 HG21 VAL A 75 16.120 -11.916 -4.504 1.00 13.41 H new ATOM 0 HG22 VAL A 75 16.038 -10.711 -5.811 1.00 13.41 H new ATOM 0 HG23 VAL A 75 16.380 -10.193 -4.143 1.00 13.41 H new ATOM 1111 N PRO A 76 11.526 -9.160 -4.248 1.00 21.43 N ATOM 1112 CA PRO A 76 10.104 -8.977 -4.525 1.00 31.23 C ATOM 1113 C PRO A 76 9.693 -7.541 -4.864 1.00 2.34 C ATOM 1114 O PRO A 76 8.562 -7.354 -5.311 1.00 64.51 O ATOM 1115 CB PRO A 76 9.384 -9.454 -3.259 1.00 40.11 C ATOM 1116 CG PRO A 76 10.411 -9.135 -2.183 1.00 13.14 C ATOM 1117 CD PRO A 76 11.702 -9.558 -2.860 1.00 12.31 C ATOM 0 HA PRO A 76 9.839 -9.541 -5.419 1.00 31.23 H new ATOM 0 HB2 PRO A 76 8.445 -8.925 -3.098 1.00 40.11 H new ATOM 0 HB3 PRO A 76 9.148 -10.518 -3.298 1.00 40.11 H new ATOM 0 HG2 PRO A 76 10.414 -8.077 -1.920 1.00 13.14 H new ATOM 0 HG3 PRO A 76 10.228 -9.692 -1.264 1.00 13.14 H new ATOM 0 HD2 PRO A 76 12.566 -9.067 -2.412 1.00 12.31 H new ATOM 0 HD3 PRO A 76 11.864 -10.632 -2.772 1.00 12.31 H new ATOM 1125 N SER A 77 10.569 -6.544 -4.684 1.00 64.31 N ATOM 1126 CA SER A 77 10.252 -5.135 -4.962 1.00 33.22 C ATOM 1127 C SER A 77 11.165 -4.489 -6.017 1.00 74.03 C ATOM 1128 O SER A 77 10.910 -3.380 -6.490 1.00 34.32 O ATOM 1129 CB SER A 77 10.281 -4.352 -3.644 1.00 44.20 C ATOM 1130 OG SER A 77 9.829 -5.132 -2.546 1.00 44.52 O ATOM 0 H SER A 77 11.518 -6.691 -4.341 1.00 64.31 H new ATOM 0 HA SER A 77 9.254 -5.102 -5.399 1.00 33.22 H new ATOM 0 HB2 SER A 77 11.297 -4.009 -3.450 1.00 44.20 H new ATOM 0 HB3 SER A 77 9.657 -3.463 -3.738 1.00 44.20 H new ATOM 0 HG SER A 77 8.909 -4.879 -2.322 1.00 44.52 H new ATOM 1136 N GLY A 78 12.258 -5.164 -6.369 1.00 73.02 N ATOM 1137 CA GLY A 78 13.276 -4.772 -7.343 1.00 72.32 C ATOM 1138 C GLY A 78 14.125 -3.556 -6.961 1.00 2.13 C ATOM 1139 O GLY A 78 15.059 -3.229 -7.692 1.00 61.13 O ATOM 0 H GLY A 78 12.471 -6.068 -5.949 1.00 73.02 H new ATOM 0 HA2 GLY A 78 13.941 -5.620 -7.507 1.00 72.32 H new ATOM 0 HA3 GLY A 78 12.783 -4.565 -8.293 1.00 72.32 H new ATOM 1143 N ILE A 79 13.845 -2.890 -5.836 1.00 40.40 N ATOM 1144 CA ILE A 79 14.582 -1.714 -5.374 1.00 23.01 C ATOM 1145 C ILE A 79 16.033 -2.118 -5.103 1.00 63.14 C ATOM 1146 O ILE A 79 16.270 -3.142 -4.467 1.00 71.32 O ATOM 1147 CB ILE A 79 13.925 -1.108 -4.106 1.00 24.21 C ATOM 1148 CG1 ILE A 79 12.412 -0.865 -4.298 1.00 34.41 C ATOM 1149 CG2 ILE A 79 14.618 0.216 -3.721 1.00 24.23 C ATOM 1150 CD1 ILE A 79 11.693 -0.332 -3.054 1.00 75.22 C ATOM 0 H ILE A 79 13.085 -3.160 -5.211 1.00 40.40 H new ATOM 0 HA ILE A 79 14.558 -0.944 -6.145 1.00 23.01 H new ATOM 0 HB ILE A 79 14.049 -1.834 -3.302 1.00 24.21 H new ATOM 0 HG12 ILE A 79 12.271 -0.158 -5.115 1.00 34.41 H new ATOM 0 HG13 ILE A 79 11.942 -1.800 -4.601 1.00 34.41 H new ATOM 0 HG21 ILE A 79 14.145 0.628 -2.830 1.00 24.23 H new ATOM 0 HG22 ILE A 79 15.673 0.029 -3.519 1.00 24.23 H new ATOM 0 HG23 ILE A 79 14.526 0.927 -4.542 1.00 24.23 H new ATOM 0 HD11 ILE A 79 10.636 -0.190 -3.278 1.00 75.22 H new ATOM 0 HD12 ILE A 79 11.799 -1.047 -2.238 1.00 75.22 H new ATOM 0 HD13 ILE A 79 12.133 0.621 -2.760 1.00 75.22 H new ATOM 1162 N VAL A 80 16.993 -1.306 -5.539 1.00 12.42 N ATOM 1163 CA VAL A 80 18.426 -1.499 -5.371 1.00 70.42 C ATOM 1164 C VAL A 80 18.965 -0.263 -4.662 1.00 14.31 C ATOM 1165 O VAL A 80 18.443 0.840 -4.836 1.00 64.23 O ATOM 1166 CB VAL A 80 19.133 -1.642 -6.744 1.00 53.35 C ATOM 1167 CG1 VAL A 80 20.595 -2.099 -6.590 1.00 64.24 C ATOM 1168 CG2 VAL A 80 18.430 -2.615 -7.694 1.00 1.21 C ATOM 0 H VAL A 80 16.777 -0.448 -6.047 1.00 12.42 H new ATOM 0 HA VAL A 80 18.613 -2.408 -4.800 1.00 70.42 H new ATOM 0 HB VAL A 80 19.092 -0.643 -7.178 1.00 53.35 H new ATOM 0 HG11 VAL A 80 21.054 -2.187 -7.575 1.00 64.24 H new ATOM 0 HG12 VAL A 80 21.144 -1.368 -5.997 1.00 64.24 H new ATOM 0 HG13 VAL A 80 20.623 -3.067 -6.089 1.00 64.24 H new ATOM 0 HG21 VAL A 80 18.979 -2.666 -8.634 1.00 1.21 H new ATOM 0 HG22 VAL A 80 18.395 -3.605 -7.240 1.00 1.21 H new ATOM 0 HG23 VAL A 80 17.415 -2.268 -7.885 1.00 1.21 H new ATOM 1178 N VAL A 81 20.005 -0.434 -3.850 1.00 74.21 N ATOM 1179 CA VAL A 81 20.642 0.670 -3.158 1.00 24.13 C ATOM 1180 C VAL A 81 22.128 0.333 -3.083 1.00 20.12 C ATOM 1181 O VAL A 81 22.521 -0.840 -2.998 1.00 10.35 O ATOM 1182 CB VAL A 81 19.901 1.003 -1.851 1.00 63.24 C ATOM 1183 CG1 VAL A 81 20.218 0.093 -0.665 1.00 30.14 C ATOM 1184 CG2 VAL A 81 20.088 2.470 -1.462 1.00 33.42 C ATOM 0 H VAL A 81 20.425 -1.343 -3.657 1.00 74.21 H new ATOM 0 HA VAL A 81 20.576 1.623 -3.682 1.00 24.13 H new ATOM 0 HB VAL A 81 18.854 0.813 -2.085 1.00 63.24 H new ATOM 0 HG11 VAL A 81 19.644 0.414 0.204 1.00 30.14 H new ATOM 0 HG12 VAL A 81 19.954 -0.935 -0.914 1.00 30.14 H new ATOM 0 HG13 VAL A 81 21.282 0.149 -0.437 1.00 30.14 H new ATOM 0 HG21 VAL A 81 19.552 2.672 -0.535 1.00 33.42 H new ATOM 0 HG22 VAL A 81 21.149 2.676 -1.320 1.00 33.42 H new ATOM 0 HG23 VAL A 81 19.697 3.109 -2.254 1.00 33.42 H new ATOM 1194 N LYS A 82 22.973 1.356 -3.153 1.00 33.42 N ATOM 1195 CA LYS A 82 24.429 1.221 -3.144 1.00 14.11 C ATOM 1196 C LYS A 82 24.971 2.058 -2.000 1.00 75.25 C ATOM 1197 O LYS A 82 24.786 3.278 -2.008 1.00 33.30 O ATOM 1198 CB LYS A 82 24.978 1.655 -4.517 1.00 45.21 C ATOM 1199 CG LYS A 82 24.483 0.745 -5.664 1.00 51.54 C ATOM 1200 CD LYS A 82 24.741 1.314 -7.061 1.00 71.43 C ATOM 1201 CE LYS A 82 26.229 1.309 -7.428 1.00 60.02 C ATOM 1202 NZ LYS A 82 26.460 1.990 -8.718 1.00 23.31 N ATOM 0 H LYS A 82 22.660 2.324 -3.219 1.00 33.42 H new ATOM 0 HA LYS A 82 24.744 0.190 -2.984 1.00 14.11 H new ATOM 0 HB2 LYS A 82 24.677 2.683 -4.717 1.00 45.21 H new ATOM 0 HB3 LYS A 82 26.068 1.641 -4.490 1.00 45.21 H new ATOM 0 HG2 LYS A 82 24.972 -0.226 -5.582 1.00 51.54 H new ATOM 0 HG3 LYS A 82 23.413 0.574 -5.544 1.00 51.54 H new ATOM 0 HD2 LYS A 82 24.186 0.731 -7.796 1.00 71.43 H new ATOM 0 HD3 LYS A 82 24.361 2.334 -7.111 1.00 71.43 H new ATOM 0 HE2 LYS A 82 26.802 1.804 -6.644 1.00 60.02 H new ATOM 0 HE3 LYS A 82 26.589 0.282 -7.486 1.00 60.02 H new ATOM 0 HZ1 LYS A 82 27.475 1.972 -8.943 1.00 23.31 H new ATOM 0 HZ2 LYS A 82 25.931 1.501 -9.468 1.00 23.31 H new ATOM 0 HZ3 LYS A 82 26.137 2.976 -8.653 1.00 23.31 H new ATOM 1216 N CYS A 83 25.648 1.433 -1.038 1.00 62.22 N ATOM 1217 CA CYS A 83 26.204 2.116 0.121 1.00 3.14 C ATOM 1218 C CYS A 83 27.681 1.773 0.305 1.00 31.44 C ATOM 1219 O CYS A 83 28.159 0.713 -0.116 1.00 72.13 O ATOM 1220 CB CYS A 83 25.384 1.738 1.362 1.00 42.24 C ATOM 1221 SG CYS A 83 23.691 2.371 1.185 1.00 1.02 S ATOM 0 H CYS A 83 25.826 0.429 -1.045 1.00 62.22 H new ATOM 0 HA CYS A 83 26.146 3.194 -0.031 1.00 3.14 H new ATOM 0 HB2 CYS A 83 25.368 0.655 1.484 1.00 42.24 H new ATOM 0 HB3 CYS A 83 25.847 2.153 2.257 1.00 42.24 H new ATOM 0 HG CYS A 83 23.431 3.192 2.159 1.00 1.02 H new ATOM 1227 N HIS A 84 28.410 2.706 0.908 1.00 5.42 N ATOM 1228 CA HIS A 84 29.825 2.645 1.224 1.00 44.51 C ATOM 1229 C HIS A 84 30.042 3.608 2.400 1.00 74.12 C ATOM 1230 O HIS A 84 30.077 4.819 2.201 1.00 54.33 O ATOM 1231 CB HIS A 84 30.662 2.932 -0.039 1.00 50.42 C ATOM 1232 CG HIS A 84 30.394 4.242 -0.741 1.00 60.43 C ATOM 1233 ND1 HIS A 84 29.525 4.491 -1.787 1.00 70.33 N ATOM 1234 CD2 HIS A 84 31.039 5.410 -0.457 1.00 71.21 C ATOM 1235 CE1 HIS A 84 29.654 5.787 -2.120 1.00 13.42 C ATOM 1236 NE2 HIS A 84 30.560 6.390 -1.330 1.00 72.41 N ATOM 0 H HIS A 84 27.993 3.587 1.209 1.00 5.42 H new ATOM 0 HA HIS A 84 30.161 1.657 1.537 1.00 44.51 H new ATOM 0 HB2 HIS A 84 31.716 2.902 0.236 1.00 50.42 H new ATOM 0 HB3 HIS A 84 30.495 2.123 -0.750 1.00 50.42 H new ATOM 0 HD2 HIS A 84 31.788 5.552 0.308 1.00 71.21 H new ATOM 0 HE1 HIS A 84 29.106 6.276 -2.912 1.00 13.42 H new ATOM 0 HE2 HIS A 84 30.842 7.370 -1.362 1.00 72.41 H new ATOM 1244 N GLN A 85 30.141 3.104 3.632 1.00 50.24 N ATOM 1245 CA GLN A 85 30.335 3.930 4.827 1.00 42.44 C ATOM 1246 C GLN A 85 31.727 3.710 5.418 1.00 33.31 C ATOM 1247 O GLN A 85 32.407 4.667 5.767 1.00 42.32 O ATOM 1248 CB GLN A 85 29.217 3.620 5.843 1.00 22.20 C ATOM 1249 CG GLN A 85 29.178 4.578 7.046 1.00 11.44 C ATOM 1250 CD GLN A 85 29.688 3.929 8.328 1.00 14.12 C ATOM 1251 OE1 GLN A 85 30.779 3.385 8.384 1.00 61.31 O ATOM 1252 NE2 GLN A 85 28.908 3.917 9.389 1.00 43.41 N ATOM 0 H GLN A 85 30.089 2.105 3.830 1.00 50.24 H new ATOM 0 HA GLN A 85 30.273 4.985 4.560 1.00 42.44 H new ATOM 0 HB2 GLN A 85 28.255 3.657 5.331 1.00 22.20 H new ATOM 0 HB3 GLN A 85 29.345 2.601 6.208 1.00 22.20 H new ATOM 0 HG2 GLN A 85 29.781 5.459 6.824 1.00 11.44 H new ATOM 0 HG3 GLN A 85 28.155 4.922 7.199 1.00 11.44 H new ATOM 0 HE21 GLN A 85 27.994 4.368 9.355 1.00 43.41 H new ATOM 0 HE22 GLN A 85 29.218 3.457 10.245 1.00 43.41 H new ATOM 1261 N THR A 86 32.183 2.462 5.459 1.00 24.41 N ATOM 1262 CA THR A 86 33.471 2.076 6.006 1.00 31.55 C ATOM 1263 C THR A 86 34.100 0.985 5.138 1.00 33.30 C ATOM 1264 O THR A 86 33.554 0.567 4.114 1.00 14.25 O ATOM 1265 CB THR A 86 33.239 1.659 7.480 1.00 34.13 C ATOM 1266 OG1 THR A 86 34.405 1.143 8.094 1.00 3.51 O ATOM 1267 CG2 THR A 86 32.106 0.633 7.675 1.00 42.03 C ATOM 0 H THR A 86 31.648 1.671 5.101 1.00 24.41 H new ATOM 0 HA THR A 86 34.188 2.897 5.998 1.00 31.55 H new ATOM 0 HB THR A 86 32.947 2.593 7.960 1.00 34.13 H new ATOM 0 HG1 THR A 86 34.205 0.897 9.021 1.00 3.51 H new ATOM 0 HG21 THR A 86 32.009 0.395 8.734 1.00 42.03 H new ATOM 0 HG22 THR A 86 31.168 1.053 7.310 1.00 42.03 H new ATOM 0 HG23 THR A 86 32.338 -0.275 7.119 1.00 42.03 H new ATOM 1275 N ARG A 87 35.302 0.545 5.515 1.00 31.25 N ATOM 1276 CA ARG A 87 36.043 -0.513 4.837 1.00 33.14 C ATOM 1277 C ARG A 87 35.625 -1.882 5.392 1.00 1.35 C ATOM 1278 O ARG A 87 36.340 -2.861 5.187 1.00 33.33 O ATOM 1279 CB ARG A 87 37.558 -0.234 4.889 1.00 62.23 C ATOM 1280 CG ARG A 87 38.218 -0.401 6.271 1.00 13.53 C ATOM 1281 CD ARG A 87 39.160 -1.621 6.329 1.00 62.31 C ATOM 1282 NE ARG A 87 39.384 -2.066 7.716 1.00 63.20 N ATOM 1283 CZ ARG A 87 38.480 -2.717 8.463 1.00 64.23 C ATOM 1284 NH1 ARG A 87 37.361 -3.168 7.906 1.00 52.12 N ATOM 1285 NH2 ARG A 87 38.685 -2.890 9.765 1.00 45.41 N ATOM 0 H ARG A 87 35.797 0.926 6.321 1.00 31.25 H new ATOM 0 HA ARG A 87 35.793 -0.531 3.776 1.00 33.14 H new ATOM 0 HB2 ARG A 87 38.056 -0.901 4.185 1.00 62.23 H new ATOM 0 HB3 ARG A 87 37.734 0.784 4.543 1.00 62.23 H new ATOM 0 HG2 ARG A 87 38.780 0.501 6.513 1.00 13.53 H new ATOM 0 HG3 ARG A 87 37.443 -0.507 7.030 1.00 13.53 H new ATOM 0 HD2 ARG A 87 38.734 -2.439 5.748 1.00 62.31 H new ATOM 0 HD3 ARG A 87 40.115 -1.367 5.869 1.00 62.31 H new ATOM 0 HE ARG A 87 40.291 -1.865 8.138 1.00 63.20 H new ATOM 0 HH11 ARG A 87 37.190 -3.019 6.911 1.00 52.12 H new ATOM 0 HH12 ARG A 87 36.673 -3.663 8.473 1.00 52.12 H new ATOM 0 HH21 ARG A 87 39.533 -2.527 10.200 1.00 45.41 H new ATOM 0 HH22 ARG A 87 37.994 -3.386 10.329 1.00 45.41 H new ATOM 1299 N SER A 88 34.546 -1.964 6.173 1.00 44.02 N ATOM 1300 CA SER A 88 34.037 -3.200 6.743 1.00 33.24 C ATOM 1301 C SER A 88 32.758 -3.571 5.998 1.00 23.42 C ATOM 1302 O SER A 88 31.765 -2.852 6.105 1.00 4.22 O ATOM 1303 CB SER A 88 33.699 -2.995 8.218 1.00 74.01 C ATOM 1304 OG SER A 88 34.821 -2.888 9.067 1.00 24.23 O ATOM 0 H SER A 88 33.992 -1.147 6.430 1.00 44.02 H new ATOM 0 HA SER A 88 34.788 -3.985 6.653 1.00 33.24 H new ATOM 0 HB2 SER A 88 33.097 -2.092 8.317 1.00 74.01 H new ATOM 0 HB3 SER A 88 33.082 -3.828 8.555 1.00 74.01 H new ATOM 0 HG SER A 88 34.523 -2.701 9.982 1.00 24.23 H new ATOM 1310 N VAL A 89 32.771 -4.699 5.285 1.00 64.50 N ATOM 1311 CA VAL A 89 31.617 -5.191 4.537 1.00 22.01 C ATOM 1312 C VAL A 89 30.425 -5.353 5.491 1.00 35.30 C ATOM 1313 O VAL A 89 29.357 -4.809 5.228 1.00 20.02 O ATOM 1314 CB VAL A 89 32.007 -6.468 3.751 1.00 63.05 C ATOM 1315 CG1 VAL A 89 32.578 -7.609 4.613 1.00 1.22 C ATOM 1316 CG2 VAL A 89 30.844 -7.006 2.913 1.00 30.15 C ATOM 0 H VAL A 89 33.591 -5.301 5.211 1.00 64.50 H new ATOM 0 HA VAL A 89 31.296 -4.475 3.780 1.00 22.01 H new ATOM 0 HB VAL A 89 32.812 -6.131 3.098 1.00 63.05 H new ATOM 0 HG11 VAL A 89 32.822 -8.459 3.976 1.00 1.22 H new ATOM 0 HG12 VAL A 89 33.480 -7.266 5.120 1.00 1.22 H new ATOM 0 HG13 VAL A 89 31.838 -7.911 5.354 1.00 1.22 H new ATOM 0 HG21 VAL A 89 31.164 -7.901 2.380 1.00 30.15 H new ATOM 0 HG22 VAL A 89 30.008 -7.252 3.567 1.00 30.15 H new ATOM 0 HG23 VAL A 89 30.532 -6.248 2.195 1.00 30.15 H new ATOM 1326 N ASP A 90 30.639 -5.992 6.647 1.00 61.24 N ATOM 1327 CA ASP A 90 29.628 -6.240 7.676 1.00 44.25 C ATOM 1328 C ASP A 90 28.850 -4.978 8.044 1.00 21.33 C ATOM 1329 O ASP A 90 27.618 -4.963 7.999 1.00 54.34 O ATOM 1330 CB ASP A 90 30.304 -6.798 8.935 1.00 35.23 C ATOM 1331 CG ASP A 90 29.319 -6.809 10.107 1.00 4.23 C ATOM 1332 OD1 ASP A 90 28.577 -7.810 10.208 1.00 60.34 O ATOM 1333 OD2 ASP A 90 29.298 -5.813 10.870 1.00 12.13 O ATOM 0 H ASP A 90 31.555 -6.363 6.899 1.00 61.24 H new ATOM 0 HA ASP A 90 28.919 -6.960 7.267 1.00 44.25 H new ATOM 0 HB2 ASP A 90 30.664 -7.809 8.745 1.00 35.23 H new ATOM 0 HB3 ASP A 90 31.174 -6.192 9.188 1.00 35.23 H new ATOM 1338 N GLN A 91 29.586 -3.926 8.410 1.00 72.51 N ATOM 1339 CA GLN A 91 29.022 -2.656 8.799 1.00 14.13 C ATOM 1340 C GLN A 91 28.276 -2.043 7.617 1.00 72.42 C ATOM 1341 O GLN A 91 27.148 -1.593 7.798 1.00 64.15 O ATOM 1342 CB GLN A 91 30.136 -1.737 9.312 1.00 5.13 C ATOM 1343 CG GLN A 91 30.528 -1.972 10.785 1.00 53.33 C ATOM 1344 CD GLN A 91 31.735 -2.893 10.966 1.00 50.21 C ATOM 1345 OE1 GLN A 91 32.877 -2.441 10.978 1.00 73.40 O ATOM 1346 NE2 GLN A 91 31.545 -4.195 11.082 1.00 60.24 N ATOM 0 H GLN A 91 30.605 -3.945 8.441 1.00 72.51 H new ATOM 0 HA GLN A 91 28.305 -2.794 9.608 1.00 14.13 H new ATOM 0 HB2 GLN A 91 31.019 -1.873 8.688 1.00 5.13 H new ATOM 0 HB3 GLN A 91 29.819 -0.701 9.194 1.00 5.13 H new ATOM 0 HG2 GLN A 91 30.744 -1.011 11.251 1.00 53.33 H new ATOM 0 HG3 GLN A 91 29.676 -2.398 11.314 1.00 53.33 H new ATOM 0 HE21 GLN A 91 30.599 -4.575 11.073 1.00 60.24 H new ATOM 0 HE22 GLN A 91 32.345 -4.820 11.181 1.00 60.24 H new ATOM 1355 N ASN A 92 28.868 -2.039 6.418 1.00 30.40 N ATOM 1356 CA ASN A 92 28.231 -1.477 5.228 1.00 32.24 C ATOM 1357 C ASN A 92 26.878 -2.143 4.960 1.00 32.43 C ATOM 1358 O ASN A 92 25.938 -1.446 4.575 1.00 54.02 O ATOM 1359 CB ASN A 92 29.155 -1.564 4.003 1.00 4.05 C ATOM 1360 CG ASN A 92 30.262 -0.519 3.987 1.00 54.13 C ATOM 1361 OD1 ASN A 92 30.256 0.441 4.749 1.00 14.25 O ATOM 1362 ND2 ASN A 92 31.232 -0.635 3.101 1.00 4.04 N ATOM 0 H ASN A 92 29.797 -2.424 6.248 1.00 30.40 H new ATOM 0 HA ASN A 92 28.046 -0.420 5.419 1.00 32.24 H new ATOM 0 HB2 ASN A 92 29.605 -2.556 3.970 1.00 4.05 H new ATOM 0 HB3 ASN A 92 28.555 -1.456 3.100 1.00 4.05 H new ATOM 0 HD21 ASN A 92 31.967 0.070 3.055 1.00 4.04 H new ATOM 0 HD22 ASN A 92 31.247 -1.430 2.462 1.00 4.04 H new ATOM 1369 N ARG A 93 26.748 -3.461 5.188 1.00 61.52 N ATOM 1370 CA ARG A 93 25.484 -4.184 4.986 1.00 32.03 C ATOM 1371 C ARG A 93 24.390 -3.553 5.850 1.00 33.12 C ATOM 1372 O ARG A 93 23.245 -3.471 5.411 1.00 53.43 O ATOM 1373 CB ARG A 93 25.618 -5.682 5.327 1.00 60.31 C ATOM 1374 CG ARG A 93 26.554 -6.506 4.429 1.00 12.43 C ATOM 1375 CD ARG A 93 26.933 -7.866 5.057 1.00 52.44 C ATOM 1376 NE ARG A 93 25.892 -8.884 4.854 1.00 35.52 N ATOM 1377 CZ ARG A 93 25.460 -9.871 5.650 1.00 74.02 C ATOM 1378 NH1 ARG A 93 25.945 -10.075 6.868 1.00 70.11 N ATOM 1379 NH2 ARG A 93 24.505 -10.674 5.203 1.00 45.21 N ATOM 0 H ARG A 93 27.513 -4.051 5.516 1.00 61.52 H new ATOM 0 HA ARG A 93 25.219 -4.107 3.931 1.00 32.03 H new ATOM 0 HB2 ARG A 93 25.968 -5.768 6.356 1.00 60.31 H new ATOM 0 HB3 ARG A 93 24.626 -6.131 5.289 1.00 60.31 H new ATOM 0 HG2 ARG A 93 26.072 -6.676 3.466 1.00 12.43 H new ATOM 0 HG3 ARG A 93 27.461 -5.934 4.234 1.00 12.43 H new ATOM 0 HD2 ARG A 93 27.870 -8.216 4.623 1.00 52.44 H new ATOM 0 HD3 ARG A 93 27.106 -7.735 6.125 1.00 52.44 H new ATOM 0 HE ARG A 93 25.417 -8.829 3.953 1.00 35.52 H new ATOM 0 HH11 ARG A 93 26.678 -9.467 7.234 1.00 70.11 H new ATOM 0 HH12 ARG A 93 25.585 -10.840 7.439 1.00 70.11 H new ATOM 0 HH21 ARG A 93 24.115 -10.533 4.271 1.00 45.21 H new ATOM 0 HH22 ARG A 93 24.160 -11.433 5.791 1.00 45.21 H new ATOM 1393 N LYS A 94 24.719 -3.098 7.066 1.00 44.34 N ATOM 1394 CA LYS A 94 23.749 -2.472 7.964 1.00 73.20 C ATOM 1395 C LYS A 94 23.197 -1.213 7.324 1.00 65.21 C ATOM 1396 O LYS A 94 21.985 -1.091 7.158 1.00 61.23 O ATOM 1397 CB LYS A 94 24.353 -2.041 9.309 1.00 43.11 C ATOM 1398 CG LYS A 94 25.161 -3.070 10.095 1.00 23.01 C ATOM 1399 CD LYS A 94 24.487 -3.511 11.403 1.00 72.03 C ATOM 1400 CE LYS A 94 23.449 -4.616 11.216 1.00 65.15 C ATOM 1401 NZ LYS A 94 24.057 -5.960 11.182 1.00 0.11 N ATOM 0 H LYS A 94 25.662 -3.155 7.451 1.00 44.34 H new ATOM 0 HA LYS A 94 22.983 -3.227 8.141 1.00 73.20 H new ATOM 0 HB2 LYS A 94 24.997 -1.181 9.125 1.00 43.11 H new ATOM 0 HB3 LYS A 94 23.538 -1.699 9.947 1.00 43.11 H new ATOM 0 HG2 LYS A 94 25.326 -3.946 9.468 1.00 23.01 H new ATOM 0 HG3 LYS A 94 26.141 -2.652 10.324 1.00 23.01 H new ATOM 0 HD2 LYS A 94 25.253 -3.857 12.097 1.00 72.03 H new ATOM 0 HD3 LYS A 94 24.007 -2.647 11.863 1.00 72.03 H new ATOM 0 HE2 LYS A 94 22.723 -4.569 12.027 1.00 65.15 H new ATOM 0 HE3 LYS A 94 22.902 -4.444 10.289 1.00 65.15 H new ATOM 0 HZ1 LYS A 94 23.312 -6.675 11.053 1.00 0.11 H new ATOM 0 HZ2 LYS A 94 24.731 -6.016 10.392 1.00 0.11 H new ATOM 0 HZ3 LYS A 94 24.557 -6.138 12.077 1.00 0.11 H new ATOM 1415 N ILE A 95 24.088 -0.284 6.943 1.00 31.21 N ATOM 1416 CA ILE A 95 23.691 0.977 6.348 1.00 2.41 C ATOM 1417 C ILE A 95 22.760 0.719 5.160 1.00 24.12 C ATOM 1418 O ILE A 95 21.707 1.348 5.037 1.00 30.53 O ATOM 1419 CB ILE A 95 24.923 1.834 5.955 1.00 51.13 C ATOM 1420 CG1 ILE A 95 25.717 2.361 7.174 1.00 63.40 C ATOM 1421 CG2 ILE A 95 24.498 3.081 5.149 1.00 23.23 C ATOM 1422 CD1 ILE A 95 26.680 1.390 7.855 1.00 22.43 C ATOM 0 H ILE A 95 25.097 -0.396 7.043 1.00 31.21 H new ATOM 0 HA ILE A 95 23.141 1.558 7.088 1.00 2.41 H new ATOM 0 HB ILE A 95 25.550 1.162 5.369 1.00 51.13 H new ATOM 0 HG12 ILE A 95 26.287 3.233 6.854 1.00 63.40 H new ATOM 0 HG13 ILE A 95 25.001 2.705 7.920 1.00 63.40 H new ATOM 0 HG21 ILE A 95 25.381 3.663 4.887 1.00 23.23 H new ATOM 0 HG22 ILE A 95 23.986 2.769 4.239 1.00 23.23 H new ATOM 0 HG23 ILE A 95 23.826 3.692 5.752 1.00 23.23 H new ATOM 0 HD11 ILE A 95 27.169 1.889 8.692 1.00 22.43 H new ATOM 0 HD12 ILE A 95 26.126 0.525 8.221 1.00 22.43 H new ATOM 0 HD13 ILE A 95 27.433 1.062 7.138 1.00 22.43 H new ATOM 1434 N ALA A 96 23.159 -0.208 4.288 1.00 21.35 N ATOM 1435 CA ALA A 96 22.407 -0.585 3.106 1.00 51.43 C ATOM 1436 C ALA A 96 21.018 -1.115 3.457 1.00 11.11 C ATOM 1437 O ALA A 96 20.031 -0.657 2.884 1.00 74.02 O ATOM 1438 CB ALA A 96 23.206 -1.633 2.332 1.00 21.42 C ATOM 0 H ALA A 96 24.033 -0.724 4.392 1.00 21.35 H new ATOM 0 HA ALA A 96 22.256 0.301 2.489 1.00 51.43 H new ATOM 0 HB1 ALA A 96 22.653 -1.926 1.440 1.00 21.42 H new ATOM 0 HB2 ALA A 96 24.169 -1.214 2.040 1.00 21.42 H new ATOM 0 HB3 ALA A 96 23.367 -2.507 2.963 1.00 21.42 H new ATOM 1444 N ARG A 97 20.916 -2.077 4.376 1.00 13.12 N ATOM 1445 CA ARG A 97 19.623 -2.629 4.772 1.00 53.21 C ATOM 1446 C ARG A 97 18.746 -1.541 5.363 1.00 63.32 C ATOM 1447 O ARG A 97 17.566 -1.480 5.021 1.00 61.41 O ATOM 1448 CB ARG A 97 19.795 -3.742 5.801 1.00 65.42 C ATOM 1449 CG ARG A 97 20.251 -5.065 5.186 1.00 21.22 C ATOM 1450 CD ARG A 97 20.556 -6.076 6.282 1.00 64.23 C ATOM 1451 NE ARG A 97 19.408 -6.315 7.173 1.00 11.25 N ATOM 1452 CZ ARG A 97 19.462 -6.955 8.344 1.00 11.41 C ATOM 1453 NH1 ARG A 97 20.636 -7.347 8.838 1.00 22.11 N ATOM 1454 NH2 ARG A 97 18.334 -7.263 8.970 1.00 74.24 N ATOM 0 H ARG A 97 21.715 -2.489 4.859 1.00 13.12 H new ATOM 0 HA ARG A 97 19.150 -3.040 3.880 1.00 53.21 H new ATOM 0 HB2 ARG A 97 20.522 -3.427 6.549 1.00 65.42 H new ATOM 0 HB3 ARG A 97 18.849 -3.897 6.321 1.00 65.42 H new ATOM 0 HG2 ARG A 97 19.475 -5.455 4.527 1.00 21.22 H new ATOM 0 HG3 ARG A 97 21.138 -4.903 4.573 1.00 21.22 H new ATOM 0 HD2 ARG A 97 20.859 -7.019 5.826 1.00 64.23 H new ATOM 0 HD3 ARG A 97 21.401 -5.721 6.872 1.00 64.23 H new ATOM 0 HE ARG A 97 18.499 -5.964 6.872 1.00 11.25 H new ATOM 0 HH11 ARG A 97 21.495 -7.158 8.322 1.00 22.11 H new ATOM 0 HH12 ARG A 97 20.675 -7.836 9.732 1.00 22.11 H new ATOM 0 HH21 ARG A 97 17.436 -7.011 8.557 1.00 74.24 H new ATOM 0 HH22 ARG A 97 18.364 -7.752 9.865 1.00 74.24 H new ATOM 1468 N LYS A 98 19.300 -0.687 6.226 1.00 41.21 N ATOM 1469 CA LYS A 98 18.563 0.400 6.851 1.00 23.23 C ATOM 1470 C LYS A 98 17.971 1.276 5.757 1.00 2.32 C ATOM 1471 O LYS A 98 16.753 1.404 5.688 1.00 61.21 O ATOM 1472 CB LYS A 98 19.479 1.159 7.832 1.00 33.55 C ATOM 1473 CG LYS A 98 18.747 2.154 8.750 1.00 32.31 C ATOM 1474 CD LYS A 98 18.300 3.457 8.065 1.00 33.00 C ATOM 1475 CE LYS A 98 17.646 4.421 9.063 1.00 22.01 C ATOM 1476 NZ LYS A 98 16.295 3.997 9.489 1.00 71.53 N ATOM 0 H LYS A 98 20.279 -0.735 6.509 1.00 41.21 H new ATOM 0 HA LYS A 98 17.732 0.026 7.449 1.00 23.23 H new ATOM 0 HB2 LYS A 98 20.007 0.434 8.451 1.00 33.55 H new ATOM 0 HB3 LYS A 98 20.234 1.699 7.260 1.00 33.55 H new ATOM 0 HG2 LYS A 98 17.870 1.661 9.170 1.00 32.31 H new ATOM 0 HG3 LYS A 98 19.401 2.405 9.585 1.00 32.31 H new ATOM 0 HD2 LYS A 98 19.161 3.940 7.602 1.00 33.00 H new ATOM 0 HD3 LYS A 98 17.596 3.226 7.266 1.00 33.00 H new ATOM 0 HE2 LYS A 98 18.285 4.511 9.942 1.00 22.01 H new ATOM 0 HE3 LYS A 98 17.583 5.411 8.612 1.00 22.01 H new ATOM 0 HZ1 LYS A 98 15.869 4.739 10.081 1.00 71.53 H new ATOM 0 HZ2 LYS A 98 15.700 3.839 8.651 1.00 71.53 H new ATOM 0 HZ3 LYS A 98 16.364 3.115 10.036 1.00 71.53 H new ATOM 1490 N VAL A 99 18.795 1.856 4.880 1.00 22.42 N ATOM 1491 CA VAL A 99 18.270 2.724 3.831 1.00 12.52 C ATOM 1492 C VAL A 99 17.289 2.005 2.895 1.00 72.41 C ATOM 1493 O VAL A 99 16.334 2.623 2.430 1.00 34.12 O ATOM 1494 CB VAL A 99 19.414 3.443 3.091 1.00 61.45 C ATOM 1495 CG1 VAL A 99 20.209 2.561 2.136 1.00 62.51 C ATOM 1496 CG2 VAL A 99 18.837 4.646 2.328 1.00 41.35 C ATOM 0 H VAL A 99 19.809 1.742 4.876 1.00 22.42 H new ATOM 0 HA VAL A 99 17.670 3.497 4.312 1.00 12.52 H new ATOM 0 HB VAL A 99 20.124 3.756 3.856 1.00 61.45 H new ATOM 0 HG11 VAL A 99 20.992 3.152 1.661 1.00 62.51 H new ATOM 0 HG12 VAL A 99 20.661 1.739 2.691 1.00 62.51 H new ATOM 0 HG13 VAL A 99 19.543 2.160 1.372 1.00 62.51 H new ATOM 0 HG21 VAL A 99 19.640 5.162 1.801 1.00 41.35 H new ATOM 0 HG22 VAL A 99 18.095 4.299 1.609 1.00 41.35 H new ATOM 0 HG23 VAL A 99 18.366 5.332 3.032 1.00 41.35 H new ATOM 1506 N LEU A 100 17.500 0.717 2.599 1.00 44.24 N ATOM 1507 CA LEU A 100 16.613 -0.031 1.713 1.00 33.35 C ATOM 1508 C LEU A 100 15.227 -0.163 2.340 1.00 54.25 C ATOM 1509 O LEU A 100 14.227 0.025 1.652 1.00 0.53 O ATOM 1510 CB LEU A 100 17.204 -1.418 1.392 1.00 64.34 C ATOM 1511 CG LEU A 100 16.361 -2.235 0.391 1.00 11.35 C ATOM 1512 CD1 LEU A 100 16.190 -1.522 -0.957 1.00 32.10 C ATOM 1513 CD2 LEU A 100 17.024 -3.592 0.134 1.00 11.31 C ATOM 0 H LEU A 100 18.282 0.173 2.964 1.00 44.24 H new ATOM 0 HA LEU A 100 16.517 0.518 0.776 1.00 33.35 H new ATOM 0 HB2 LEU A 100 18.208 -1.291 0.988 1.00 64.34 H new ATOM 0 HB3 LEU A 100 17.302 -1.984 2.318 1.00 64.34 H new ATOM 0 HG LEU A 100 15.376 -2.358 0.842 1.00 11.35 H new ATOM 0 HD11 LEU A 100 15.589 -2.142 -1.623 1.00 32.10 H new ATOM 0 HD12 LEU A 100 15.691 -0.566 -0.802 1.00 32.10 H new ATOM 0 HD13 LEU A 100 17.169 -1.352 -1.405 1.00 32.10 H new ATOM 0 HD21 LEU A 100 16.423 -4.163 -0.574 1.00 11.31 H new ATOM 0 HD22 LEU A 100 18.021 -3.438 -0.279 1.00 11.31 H new ATOM 0 HD23 LEU A 100 17.101 -4.143 1.071 1.00 11.31 H new ATOM 1525 N GLN A 101 15.172 -0.457 3.637 1.00 62.52 N ATOM 1526 CA GLN A 101 13.956 -0.639 4.414 1.00 74.21 C ATOM 1527 C GLN A 101 12.983 0.530 4.265 1.00 52.52 C ATOM 1528 O GLN A 101 11.792 0.305 4.081 1.00 11.33 O ATOM 1529 CB GLN A 101 14.376 -0.863 5.872 1.00 31.21 C ATOM 1530 CG GLN A 101 13.268 -1.424 6.755 1.00 25.13 C ATOM 1531 CD GLN A 101 13.814 -1.915 8.085 1.00 14.45 C ATOM 1532 OE1 GLN A 101 14.743 -1.334 8.647 1.00 73.13 O ATOM 1533 NE2 GLN A 101 13.314 -3.029 8.578 1.00 1.30 N ATOM 0 H GLN A 101 16.015 -0.580 4.198 1.00 62.52 H new ATOM 0 HA GLN A 101 13.406 -1.504 4.043 1.00 74.21 H new ATOM 0 HB2 GLN A 101 15.225 -1.546 5.894 1.00 31.21 H new ATOM 0 HB3 GLN A 101 14.717 0.084 6.291 1.00 31.21 H new ATOM 0 HG2 GLN A 101 12.516 -0.655 6.930 1.00 25.13 H new ATOM 0 HG3 GLN A 101 12.770 -2.245 6.239 1.00 25.13 H new ATOM 0 HE21 GLN A 101 12.544 -3.498 8.100 1.00 1.30 H new ATOM 0 HE22 GLN A 101 13.696 -3.423 9.438 1.00 1.30 H new ATOM 1542 N GLU A 102 13.484 1.768 4.281 1.00 24.12 N ATOM 1543 CA GLU A 102 12.658 2.970 4.160 1.00 54.31 C ATOM 1544 C GLU A 102 11.828 2.920 2.872 1.00 55.01 C ATOM 1545 O GLU A 102 10.641 3.246 2.856 1.00 50.01 O ATOM 1546 CB GLU A 102 13.549 4.232 4.132 1.00 21.04 C ATOM 1547 CG GLU A 102 14.682 4.318 5.169 1.00 32.22 C ATOM 1548 CD GLU A 102 14.211 4.538 6.607 1.00 12.15 C ATOM 1549 OE1 GLU A 102 13.719 5.660 6.875 1.00 45.13 O ATOM 1550 OE2 GLU A 102 14.461 3.655 7.463 1.00 63.24 O ATOM 0 H GLU A 102 14.480 1.965 4.379 1.00 24.12 H new ATOM 0 HA GLU A 102 11.992 3.011 5.022 1.00 54.31 H new ATOM 0 HB2 GLU A 102 13.993 4.309 3.140 1.00 21.04 H new ATOM 0 HB3 GLU A 102 12.906 5.102 4.262 1.00 21.04 H new ATOM 0 HG2 GLU A 102 15.265 3.398 5.128 1.00 32.22 H new ATOM 0 HG3 GLU A 102 15.351 5.132 4.891 1.00 32.22 H new ATOM 1557 N LYS A 103 12.483 2.498 1.791 1.00 24.41 N ATOM 1558 CA LYS A 103 11.936 2.376 0.449 1.00 32.32 C ATOM 1559 C LYS A 103 10.991 1.182 0.311 1.00 64.24 C ATOM 1560 O LYS A 103 9.975 1.289 -0.379 1.00 12.52 O ATOM 1561 CB LYS A 103 13.097 2.235 -0.546 1.00 63.12 C ATOM 1562 CG LYS A 103 14.236 3.234 -0.304 1.00 24.14 C ATOM 1563 CD LYS A 103 15.330 3.109 -1.365 1.00 62.05 C ATOM 1564 CE LYS A 103 16.527 3.974 -0.958 1.00 22.52 C ATOM 1565 NZ LYS A 103 16.185 5.416 -0.969 1.00 41.02 N ATOM 0 H LYS A 103 13.463 2.218 1.835 1.00 24.41 H new ATOM 0 HA LYS A 103 11.352 3.272 0.239 1.00 32.32 H new ATOM 0 HB2 LYS A 103 13.495 1.222 -0.487 1.00 63.12 H new ATOM 0 HB3 LYS A 103 12.716 2.369 -1.558 1.00 63.12 H new ATOM 0 HG2 LYS A 103 13.838 4.249 -0.309 1.00 24.14 H new ATOM 0 HG3 LYS A 103 14.665 3.065 0.684 1.00 24.14 H new ATOM 0 HD2 LYS A 103 15.636 2.068 -1.468 1.00 62.05 H new ATOM 0 HD3 LYS A 103 14.950 3.427 -2.336 1.00 62.05 H new ATOM 0 HE2 LYS A 103 16.863 3.686 0.038 1.00 22.52 H new ATOM 0 HE3 LYS A 103 17.358 3.791 -1.640 1.00 22.52 H new ATOM 0 HZ1 LYS A 103 17.050 5.979 -0.839 1.00 41.02 H new ATOM 0 HZ2 LYS A 103 15.745 5.662 -1.879 1.00 41.02 H new ATOM 0 HZ3 LYS A 103 15.519 5.621 -0.197 1.00 41.02 H new ATOM 1579 N VAL A 104 11.338 0.036 0.905 1.00 42.35 N ATOM 1580 CA VAL A 104 10.529 -1.178 0.829 1.00 61.13 C ATOM 1581 C VAL A 104 9.257 -1.032 1.673 1.00 64.30 C ATOM 1582 O VAL A 104 8.229 -1.552 1.262 1.00 0.41 O ATOM 1583 CB VAL A 104 11.367 -2.428 1.171 1.00 24.22 C ATOM 1584 CG1 VAL A 104 10.575 -3.729 0.982 1.00 14.12 C ATOM 1585 CG2 VAL A 104 12.591 -2.572 0.245 1.00 41.42 C ATOM 0 H VAL A 104 12.191 -0.073 1.453 1.00 42.35 H new ATOM 0 HA VAL A 104 10.196 -1.323 -0.199 1.00 61.13 H new ATOM 0 HB VAL A 104 11.659 -2.284 2.211 1.00 24.22 H new ATOM 0 HG11 VAL A 104 11.207 -4.580 1.235 1.00 14.12 H new ATOM 0 HG12 VAL A 104 9.701 -3.720 1.633 1.00 14.12 H new ATOM 0 HG13 VAL A 104 10.254 -3.812 -0.056 1.00 14.12 H new ATOM 0 HG21 VAL A 104 13.153 -3.465 0.521 1.00 41.42 H new ATOM 0 HG22 VAL A 104 12.257 -2.658 -0.789 1.00 41.42 H new ATOM 0 HG23 VAL A 104 13.230 -1.695 0.348 1.00 41.42 H new ATOM 1595 N ASP A 105 9.272 -0.325 2.812 1.00 32.44 N ATOM 1596 CA ASP A 105 8.081 -0.114 3.651 1.00 15.42 C ATOM 1597 C ASP A 105 7.004 0.487 2.751 1.00 61.02 C ATOM 1598 O ASP A 105 5.965 -0.113 2.490 1.00 72.42 O ATOM 1599 CB ASP A 105 8.410 0.848 4.792 1.00 21.02 C ATOM 1600 CG ASP A 105 7.142 1.396 5.443 1.00 64.22 C ATOM 1601 OD1 ASP A 105 6.489 0.651 6.198 1.00 64.13 O ATOM 1602 OD2 ASP A 105 6.812 2.578 5.197 1.00 44.01 O ATOM 0 H ASP A 105 10.114 0.119 3.180 1.00 32.44 H new ATOM 0 HA ASP A 105 7.741 -1.052 4.091 1.00 15.42 H new ATOM 0 HB2 ASP A 105 9.012 0.334 5.541 1.00 21.02 H new ATOM 0 HB3 ASP A 105 9.011 1.674 4.412 1.00 21.02 H new ATOM 1607 N VAL A 106 7.325 1.642 2.182 1.00 51.04 N ATOM 1608 CA VAL A 106 6.499 2.408 1.263 1.00 30.04 C ATOM 1609 C VAL A 106 6.064 1.531 0.081 1.00 1.52 C ATOM 1610 O VAL A 106 4.964 1.712 -0.441 1.00 43.42 O ATOM 1611 CB VAL A 106 7.304 3.641 0.807 1.00 2.03 C ATOM 1612 CG1 VAL A 106 6.594 4.415 -0.304 1.00 65.21 C ATOM 1613 CG2 VAL A 106 7.534 4.595 1.984 1.00 35.52 C ATOM 0 H VAL A 106 8.222 2.094 2.361 1.00 51.04 H new ATOM 0 HA VAL A 106 5.586 2.746 1.754 1.00 30.04 H new ATOM 0 HB VAL A 106 8.254 3.268 0.424 1.00 2.03 H new ATOM 0 HG11 VAL A 106 7.199 5.275 -0.592 1.00 65.21 H new ATOM 0 HG12 VAL A 106 6.453 3.765 -1.167 1.00 65.21 H new ATOM 0 HG13 VAL A 106 5.624 4.758 0.055 1.00 65.21 H new ATOM 0 HG21 VAL A 106 8.104 5.460 1.645 1.00 35.52 H new ATOM 0 HG22 VAL A 106 6.573 4.925 2.378 1.00 35.52 H new ATOM 0 HG23 VAL A 106 8.089 4.079 2.767 1.00 35.52 H new ATOM 1623 N PHE A 107 6.909 0.601 -0.372 1.00 40.10 N ATOM 1624 CA PHE A 107 6.584 -0.292 -1.476 1.00 71.13 C ATOM 1625 C PHE A 107 5.449 -1.239 -1.089 1.00 0.53 C ATOM 1626 O PHE A 107 4.588 -1.513 -1.922 1.00 75.13 O ATOM 1627 CB PHE A 107 7.822 -1.071 -1.919 1.00 71.35 C ATOM 1628 CG PHE A 107 7.675 -1.731 -3.276 1.00 21.04 C ATOM 1629 CD1 PHE A 107 7.065 -2.997 -3.385 1.00 71.33 C ATOM 1630 CD2 PHE A 107 8.177 -1.103 -4.429 1.00 64.43 C ATOM 1631 CE1 PHE A 107 6.992 -3.641 -4.631 1.00 25.51 C ATOM 1632 CE2 PHE A 107 8.106 -1.748 -5.675 1.00 13.51 C ATOM 1633 CZ PHE A 107 7.521 -3.021 -5.777 1.00 63.33 C ATOM 0 H PHE A 107 7.838 0.450 0.020 1.00 40.10 H new ATOM 0 HA PHE A 107 6.245 0.311 -2.318 1.00 71.13 H new ATOM 0 HB2 PHE A 107 8.676 -0.394 -1.945 1.00 71.35 H new ATOM 0 HB3 PHE A 107 8.044 -1.836 -1.175 1.00 71.35 H new ATOM 0 HD1 PHE A 107 6.653 -3.473 -2.508 1.00 71.33 H new ATOM 0 HD2 PHE A 107 8.619 -0.120 -4.357 1.00 64.43 H new ATOM 0 HE1 PHE A 107 6.529 -4.614 -4.709 1.00 25.51 H new ATOM 0 HE2 PHE A 107 8.502 -1.264 -6.556 1.00 13.51 H new ATOM 0 HZ PHE A 107 7.478 -3.522 -6.733 1.00 63.33 H new ATOM 1643 N TYR A 108 5.431 -1.742 0.145 1.00 23.24 N ATOM 1644 CA TYR A 108 4.388 -2.647 0.609 1.00 44.21 C ATOM 1645 C TYR A 108 3.117 -1.856 0.948 1.00 22.10 C ATOM 1646 O TYR A 108 2.010 -2.305 0.637 1.00 30.22 O ATOM 1647 CB TYR A 108 4.848 -3.409 1.861 1.00 4.12 C ATOM 1648 CG TYR A 108 5.885 -4.515 1.715 1.00 5.43 C ATOM 1649 CD1 TYR A 108 6.803 -4.588 0.645 1.00 4.12 C ATOM 1650 CD2 TYR A 108 5.937 -5.492 2.725 1.00 71.43 C ATOM 1651 CE1 TYR A 108 7.755 -5.622 0.591 1.00 3.24 C ATOM 1652 CE2 TYR A 108 6.896 -6.515 2.691 1.00 15.13 C ATOM 1653 CZ TYR A 108 7.808 -6.587 1.620 1.00 73.32 C ATOM 1654 OH TYR A 108 8.739 -7.575 1.589 1.00 43.12 O ATOM 0 H TYR A 108 6.140 -1.532 0.848 1.00 23.24 H new ATOM 0 HA TYR A 108 4.180 -3.360 -0.189 1.00 44.21 H new ATOM 0 HB2 TYR A 108 5.245 -2.677 2.564 1.00 4.12 H new ATOM 0 HB3 TYR A 108 3.963 -3.847 2.323 1.00 4.12 H new ATOM 0 HD1 TYR A 108 6.774 -3.845 -0.138 1.00 4.12 H new ATOM 0 HD2 TYR A 108 5.228 -5.454 3.539 1.00 71.43 H new ATOM 0 HE1 TYR A 108 8.445 -5.678 -0.238 1.00 3.24 H new ATOM 0 HE2 TYR A 108 6.935 -7.246 3.485 1.00 15.13 H new ATOM 0 HH TYR A 108 8.632 -8.150 2.375 1.00 43.12 H new ATOM 1664 N ASN A 109 3.260 -0.665 1.542 1.00 34.20 N ATOM 1665 CA ASN A 109 2.146 0.193 1.950 1.00 20.44 C ATOM 1666 C ASN A 109 1.382 0.769 0.761 1.00 72.43 C ATOM 1667 O ASN A 109 0.177 0.552 0.604 1.00 72.32 O ATOM 1668 CB ASN A 109 2.657 1.408 2.756 1.00 21.12 C ATOM 1669 CG ASN A 109 3.006 1.141 4.212 1.00 75.02 C ATOM 1670 OD1 ASN A 109 2.172 1.363 5.088 1.00 44.43 O ATOM 1671 ND2 ASN A 109 4.236 0.721 4.449 1.00 31.32 N ATOM 0 H ASN A 109 4.173 -0.264 1.756 1.00 34.20 H new ATOM 0 HA ASN A 109 1.492 -0.446 2.543 1.00 20.44 H new ATOM 0 HB2 ASN A 109 3.542 1.804 2.257 1.00 21.12 H new ATOM 0 HB3 ASN A 109 1.896 2.188 2.722 1.00 21.12 H new ATOM 0 HD21 ASN A 109 4.544 0.561 5.408 1.00 31.32 H new ATOM 0 HD22 ASN A 109 4.877 0.557 3.673 1.00 31.32 H new ATOM 1678 N SER A 110 2.092 1.503 -0.088 1.00 34.31 N ATOM 1679 CA SER A 110 1.566 2.196 -1.250 1.00 52.32 C ATOM 1680 C SER A 110 1.548 1.352 -2.521 1.00 32.53 C ATOM 1681 O SER A 110 1.981 0.195 -2.525 1.00 31.21 O ATOM 1682 CB SER A 110 2.379 3.492 -1.369 1.00 44.43 C ATOM 1683 OG SER A 110 2.251 4.182 -0.140 1.00 41.41 O ATOM 0 H SER A 110 3.097 1.635 0.024 1.00 34.31 H new ATOM 0 HA SER A 110 0.507 2.420 -1.118 1.00 52.32 H new ATOM 0 HB2 SER A 110 3.426 3.271 -1.579 1.00 44.43 H new ATOM 0 HB3 SER A 110 2.010 4.103 -2.193 1.00 44.43 H new ATOM 0 HG SER A 110 2.761 5.018 -0.179 1.00 41.41 H new ATOM 1689 N GLY A 111 1.014 1.918 -3.600 1.00 54.13 N ATOM 1690 CA GLY A 111 0.894 1.292 -4.905 1.00 75.34 C ATOM 1691 C GLY A 111 1.670 2.062 -5.974 1.00 51.03 C ATOM 1692 O GLY A 111 2.201 3.144 -5.703 1.00 34.43 O ATOM 0 H GLY A 111 0.638 2.866 -3.583 1.00 54.13 H new ATOM 0 HA2 GLY A 111 1.264 0.268 -4.853 1.00 75.34 H new ATOM 0 HA3 GLY A 111 -0.157 1.237 -5.187 1.00 75.34 H new ATOM 1696 N PRO A 112 1.774 1.502 -7.184 1.00 54.22 N ATOM 1697 CA PRO A 112 2.462 2.109 -8.316 1.00 34.45 C ATOM 1698 C PRO A 112 1.583 3.161 -9.002 1.00 74.44 C ATOM 1699 O PRO A 112 0.413 3.337 -8.653 1.00 3.53 O ATOM 1700 CB PRO A 112 2.742 0.931 -9.253 1.00 73.32 C ATOM 1701 CG PRO A 112 1.543 0.014 -9.029 1.00 73.40 C ATOM 1702 CD PRO A 112 1.187 0.231 -7.566 1.00 11.45 C ATOM 0 HA PRO A 112 3.369 2.635 -8.019 1.00 34.45 H new ATOM 0 HB2 PRO A 112 2.815 1.252 -10.292 1.00 73.32 H new ATOM 0 HB3 PRO A 112 3.680 0.434 -9.006 1.00 73.32 H new ATOM 0 HG2 PRO A 112 0.713 0.274 -9.685 1.00 73.40 H new ATOM 0 HG3 PRO A 112 1.793 -1.028 -9.229 1.00 73.40 H new ATOM 0 HD2 PRO A 112 0.106 0.246 -7.428 1.00 11.45 H new ATOM 0 HD3 PRO A 112 1.576 -0.578 -6.948 1.00 11.45 H new ATOM 1710 N SER A 113 2.143 3.852 -9.995 1.00 61.15 N ATOM 1711 CA SER A 113 1.436 4.870 -10.761 1.00 60.14 C ATOM 1712 C SER A 113 0.604 4.253 -11.898 1.00 64.00 C ATOM 1713 O SER A 113 -0.281 4.932 -12.436 1.00 62.44 O ATOM 1714 CB SER A 113 2.472 5.815 -11.370 1.00 62.34 C ATOM 1715 OG SER A 113 3.175 6.551 -10.383 1.00 14.42 O ATOM 0 H SER A 113 3.110 3.717 -10.291 1.00 61.15 H new ATOM 0 HA SER A 113 0.756 5.397 -10.092 1.00 60.14 H new ATOM 0 HB2 SER A 113 3.181 5.239 -11.964 1.00 62.34 H new ATOM 0 HB3 SER A 113 1.974 6.507 -12.050 1.00 62.34 H new ATOM 0 HG SER A 113 3.827 7.140 -10.817 1.00 14.42 H new ATOM 1721 N SER A 114 0.891 3.004 -12.290 1.00 71.11 N ATOM 1722 CA SER A 114 0.198 2.320 -13.372 1.00 53.22 C ATOM 1723 C SER A 114 0.107 0.814 -13.140 1.00 30.13 C ATOM 1724 O SER A 114 0.841 0.253 -12.319 1.00 14.51 O ATOM 1725 CB SER A 114 0.940 2.600 -14.691 1.00 3.31 C ATOM 1726 OG SER A 114 1.242 3.979 -14.868 1.00 33.44 O ATOM 0 H SER A 114 1.621 2.440 -11.855 1.00 71.11 H new ATOM 0 HA SER A 114 -0.823 2.700 -13.415 1.00 53.22 H new ATOM 0 HB2 SER A 114 1.865 2.024 -14.712 1.00 3.31 H new ATOM 0 HB3 SER A 114 0.331 2.255 -15.526 1.00 3.31 H new ATOM 0 HG SER A 114 1.714 4.104 -15.718 1.00 33.44 H new ATOM 1732 N GLY A 115 -0.745 0.166 -13.940 1.00 2.34 N ATOM 1733 CA GLY A 115 -1.038 -1.257 -13.936 1.00 0.02 C ATOM 1734 C GLY A 115 -2.403 -1.520 -13.342 1.00 24.13 C ATOM 1735 O GLY A 115 -2.728 -2.709 -13.140 1.00 4.03 O ATOM 0 H GLY A 115 -1.280 0.662 -14.653 1.00 2.34 H new ATOM 0 HA2 GLY A 115 -0.998 -1.644 -14.954 1.00 0.02 H new ATOM 0 HA3 GLY A 115 -0.278 -1.788 -13.363 1.00 0.02 H new TER 1739 GLY A 115