USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 844 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 Single : A 1 GLY N :NH3+ 180:sc=-0.00183 (180deg=-0.00183) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00242 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0141 K(o=-0.014,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0135 USER MOD Single : A 23 LYS NZ :NH3+ 141:sc= 0.155 (180deg=0) USER MOD Single : A 28 SER OG : rot 62:sc= 1.31 USER MOD Single : A 34 MET CE :methyl 155:sc= -2.65 (180deg=-3.25!) USER MOD Single : A 35 CYS SG : rot -82:sc= 0.956 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A 38 TYR OH : rot 176:sc= 0.384 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 113:sc= 0.682 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -153:sc= -2.55 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0719) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -8.71! C(o=-8.7!,f=-17!) USER MOD Single : A 79 ASN : amide:sc= -0.0683 K(o=-0.068,f=-0.67) USER MOD Single : A 80 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 82 MET CE :methyl 176:sc= -2.25 (180deg=-2.3) USER MOD Single : A 83 HIS : no HD1:sc= -0.0481 X(o=-0.048,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0727 USER MOD Single : A 88 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.4) USER MOD Single : A 89 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.041 K(o=-0.041,f=-3.8!) USER MOD Single : A 98 ASN : amide:sc= -0.0126 K(o=-0.013,f=-1.1) USER MOD Single : A 99 SER OG : rot 43:sc= 0.0495 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0255 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.129 -7.332 1.841 1.00 74.03 N ATOM 2 CA GLY A 1 -18.112 -7.308 0.751 1.00 11.53 C ATOM 3 C GLY A 1 -19.555 -7.537 1.196 1.00 61.21 C ATOM 4 O GLY A 1 -20.385 -7.868 0.350 1.00 72.13 O ATOM 0 H1 GLY A 1 -16.178 -7.169 1.454 1.00 74.03 H new ATOM 0 H2 GLY A 1 -17.355 -6.586 2.529 1.00 74.03 H new ATOM 0 H3 GLY A 1 -17.157 -8.258 2.313 1.00 74.03 H new ATOM 0 HA2 GLY A 1 -18.050 -6.345 0.243 1.00 11.53 H new ATOM 0 HA3 GLY A 1 -17.845 -8.071 0.020 1.00 11.53 H new ATOM 8 N MET A 2 -19.898 -7.398 2.482 1.00 63.34 N ATOM 9 CA MET A 2 -21.261 -7.442 3.002 1.00 43.01 C ATOM 10 C MET A 2 -21.198 -6.833 4.401 1.00 4.43 C ATOM 11 O MET A 2 -20.198 -7.030 5.099 1.00 23.14 O ATOM 12 CB MET A 2 -21.745 -8.904 3.067 1.00 60.05 C ATOM 13 CG MET A 2 -23.094 -9.103 3.775 1.00 45.53 C ATOM 14 SD MET A 2 -24.503 -8.217 3.052 1.00 3.00 S ATOM 15 CE MET A 2 -25.052 -9.424 1.819 1.00 23.44 C ATOM 0 H MET A 2 -19.204 -7.246 3.214 1.00 63.34 H new ATOM 0 HA MET A 2 -21.958 -6.894 2.367 1.00 43.01 H new ATOM 0 HB2 MET A 2 -21.822 -9.292 2.051 1.00 60.05 H new ATOM 0 HB3 MET A 2 -20.990 -9.500 3.579 1.00 60.05 H new ATOM 0 HG2 MET A 2 -23.325 -10.168 3.784 1.00 45.53 H new ATOM 0 HG3 MET A 2 -22.987 -8.791 4.814 1.00 45.53 H new ATOM 0 HE1 MET A 2 -25.916 -9.030 1.284 1.00 23.44 H new ATOM 0 HE2 MET A 2 -24.244 -9.616 1.113 1.00 23.44 H new ATOM 0 HE3 MET A 2 -25.327 -10.354 2.317 1.00 23.44 H new ATOM 25 N GLY A 3 -22.259 -6.163 4.843 1.00 74.45 N ATOM 26 CA GLY A 3 -22.343 -5.616 6.187 1.00 64.30 C ATOM 27 C GLY A 3 -21.612 -4.282 6.292 1.00 4.53 C ATOM 28 O GLY A 3 -21.079 -3.759 5.310 1.00 1.32 O ATOM 0 H GLY A 3 -23.086 -5.985 4.274 1.00 74.45 H new ATOM 0 HA2 GLY A 3 -23.389 -5.482 6.462 1.00 64.30 H new ATOM 0 HA3 GLY A 3 -21.915 -6.324 6.897 1.00 64.30 H new ATOM 32 N THR A 4 -21.633 -3.689 7.482 1.00 21.31 N ATOM 33 CA THR A 4 -21.543 -2.239 7.635 1.00 13.43 C ATOM 34 C THR A 4 -20.381 -1.801 8.538 1.00 5.42 C ATOM 35 O THR A 4 -20.253 -0.611 8.839 1.00 61.23 O ATOM 36 CB THR A 4 -22.922 -1.748 8.123 1.00 64.24 C ATOM 37 OG1 THR A 4 -23.344 -2.468 9.267 1.00 13.55 O ATOM 38 CG2 THR A 4 -24.016 -1.957 7.069 1.00 51.44 C ATOM 0 H THR A 4 -21.712 -4.196 8.363 1.00 21.31 H new ATOM 0 HA THR A 4 -21.306 -1.774 6.678 1.00 13.43 H new ATOM 0 HB THR A 4 -22.792 -0.687 8.339 1.00 64.24 H new ATOM 0 HG1 THR A 4 -24.219 -2.137 9.557 1.00 13.55 H new ATOM 0 HG21 THR A 4 -24.969 -1.597 7.457 1.00 51.44 H new ATOM 0 HG22 THR A 4 -23.760 -1.405 6.165 1.00 51.44 H new ATOM 0 HG23 THR A 4 -24.098 -3.018 6.835 1.00 51.44 H new ATOM 46 N THR A 5 -19.544 -2.719 9.016 1.00 35.04 N ATOM 47 CA THR A 5 -18.576 -2.453 10.085 1.00 32.42 C ATOM 48 C THR A 5 -17.251 -1.861 9.594 1.00 33.44 C ATOM 49 O THR A 5 -16.365 -1.531 10.386 1.00 1.43 O ATOM 50 CB THR A 5 -18.319 -3.757 10.871 1.00 42.42 C ATOM 51 OG1 THR A 5 -19.364 -4.697 10.693 1.00 44.34 O ATOM 52 CG2 THR A 5 -18.167 -3.523 12.373 1.00 71.51 C ATOM 0 H THR A 5 -19.516 -3.678 8.671 1.00 35.04 H new ATOM 0 HA THR A 5 -19.018 -1.692 10.728 1.00 32.42 H new ATOM 0 HB THR A 5 -17.384 -4.145 10.466 1.00 42.42 H new ATOM 0 HG1 THR A 5 -19.164 -5.509 11.204 1.00 44.34 H new ATOM 0 HG21 THR A 5 -17.988 -4.475 12.873 1.00 71.51 H new ATOM 0 HG22 THR A 5 -17.325 -2.854 12.554 1.00 71.51 H new ATOM 0 HG23 THR A 5 -19.079 -3.073 12.765 1.00 71.51 H new ATOM 60 N GLU A 6 -17.094 -1.750 8.289 1.00 12.31 N ATOM 61 CA GLU A 6 -15.816 -1.614 7.597 1.00 21.12 C ATOM 62 C GLU A 6 -15.355 -0.153 7.513 1.00 70.12 C ATOM 63 O GLU A 6 -15.367 0.473 6.453 1.00 73.42 O ATOM 64 CB GLU A 6 -15.880 -2.330 6.242 1.00 3.23 C ATOM 65 CG GLU A 6 -17.090 -1.955 5.368 1.00 12.30 C ATOM 66 CD GLU A 6 -17.128 -2.808 4.108 1.00 25.44 C ATOM 67 OE1 GLU A 6 -17.374 -4.034 4.208 1.00 61.04 O ATOM 68 OE2 GLU A 6 -16.946 -2.280 2.989 1.00 42.42 O ATOM 0 H GLU A 6 -17.888 -1.752 7.648 1.00 12.31 H new ATOM 0 HA GLU A 6 -15.040 -2.108 8.181 1.00 21.12 H new ATOM 0 HB2 GLU A 6 -14.968 -2.110 5.688 1.00 3.23 H new ATOM 0 HB3 GLU A 6 -15.895 -3.406 6.416 1.00 3.23 H new ATOM 0 HG2 GLU A 6 -18.011 -2.093 5.935 1.00 12.30 H new ATOM 0 HG3 GLU A 6 -17.037 -0.900 5.098 1.00 12.30 H new ATOM 75 N LYS A 7 -14.930 0.384 8.656 1.00 10.13 N ATOM 76 CA LYS A 7 -14.361 1.720 8.807 1.00 4.14 C ATOM 77 C LYS A 7 -13.221 1.657 9.812 1.00 63.41 C ATOM 78 O LYS A 7 -13.278 0.835 10.735 1.00 43.03 O ATOM 79 CB LYS A 7 -15.398 2.713 9.345 1.00 4.33 C ATOM 80 CG LYS A 7 -16.719 2.755 8.575 1.00 0.34 C ATOM 81 CD LYS A 7 -17.581 3.887 9.137 1.00 51.23 C ATOM 82 CE LYS A 7 -18.918 3.873 8.410 1.00 55.50 C ATOM 83 NZ LYS A 7 -19.732 5.076 8.665 1.00 75.42 N ATOM 0 H LYS A 7 -14.975 -0.123 9.540 1.00 10.13 H new ATOM 0 HA LYS A 7 -14.019 2.053 7.827 1.00 4.14 H new ATOM 0 HB2 LYS A 7 -15.610 2.465 10.385 1.00 4.33 H new ATOM 0 HB3 LYS A 7 -14.960 3.711 9.338 1.00 4.33 H new ATOM 0 HG2 LYS A 7 -16.532 2.914 7.513 1.00 0.34 H new ATOM 0 HG3 LYS A 7 -17.240 1.802 8.667 1.00 0.34 H new ATOM 0 HD2 LYS A 7 -17.730 3.755 10.209 1.00 51.23 H new ATOM 0 HD3 LYS A 7 -17.084 4.847 9.000 1.00 51.23 H new ATOM 0 HE2 LYS A 7 -18.740 3.783 7.338 1.00 55.50 H new ATOM 0 HE3 LYS A 7 -19.481 2.991 8.715 1.00 55.50 H new ATOM 0 HZ1 LYS A 7 -20.628 5.006 8.142 1.00 75.42 H new ATOM 0 HZ2 LYS A 7 -19.930 5.152 9.683 1.00 75.42 H new ATOM 0 HZ3 LYS A 7 -19.213 5.920 8.349 1.00 75.42 H new ATOM 97 N SER A 8 -12.228 2.533 9.663 1.00 62.23 N ATOM 98 CA SER A 8 -11.145 2.725 10.616 1.00 43.21 C ATOM 99 C SER A 8 -10.365 3.999 10.257 1.00 3.21 C ATOM 100 O SER A 8 -10.478 4.507 9.137 1.00 25.32 O ATOM 101 CB SER A 8 -10.239 1.485 10.596 1.00 61.12 C ATOM 102 OG SER A 8 -9.964 1.072 11.920 1.00 53.20 O ATOM 0 H SER A 8 -12.156 3.145 8.850 1.00 62.23 H new ATOM 0 HA SER A 8 -11.540 2.848 11.624 1.00 43.21 H new ATOM 0 HB2 SER A 8 -10.724 0.678 10.047 1.00 61.12 H new ATOM 0 HB3 SER A 8 -9.309 1.711 10.075 1.00 61.12 H new ATOM 0 HG SER A 8 -9.387 0.280 11.902 1.00 53.20 H new ATOM 108 N GLY A 9 -9.539 4.506 11.177 1.00 12.35 N ATOM 109 CA GLY A 9 -8.867 5.805 11.063 1.00 22.22 C ATOM 110 C GLY A 9 -7.414 5.733 10.596 1.00 63.21 C ATOM 111 O GLY A 9 -6.655 6.687 10.789 1.00 62.23 O ATOM 0 H GLY A 9 -9.313 4.014 12.042 1.00 12.35 H new ATOM 0 HA2 GLY A 9 -9.428 6.429 10.367 1.00 22.22 H new ATOM 0 HA3 GLY A 9 -8.899 6.302 12.033 1.00 22.22 H new ATOM 115 N ILE A 10 -7.029 4.592 10.030 1.00 1.15 N ATOM 116 CA ILE A 10 -5.689 4.237 9.580 1.00 75.32 C ATOM 117 C ILE A 10 -5.322 5.111 8.386 1.00 21.34 C ATOM 118 O ILE A 10 -6.182 5.508 7.596 1.00 2.41 O ATOM 119 CB ILE A 10 -5.602 2.728 9.243 1.00 13.55 C ATOM 120 CG1 ILE A 10 -6.363 1.848 10.256 1.00 72.23 C ATOM 121 CG2 ILE A 10 -4.128 2.292 9.288 1.00 30.31 C ATOM 122 CD1 ILE A 10 -6.595 0.403 9.813 1.00 40.01 C ATOM 0 H ILE A 10 -7.695 3.838 9.862 1.00 1.15 H new ATOM 0 HA ILE A 10 -4.970 4.419 10.379 1.00 75.32 H new ATOM 0 HB ILE A 10 -6.048 2.597 8.257 1.00 13.55 H new ATOM 0 HG12 ILE A 10 -5.809 1.840 11.195 1.00 72.23 H new ATOM 0 HG13 ILE A 10 -7.329 2.309 10.460 1.00 72.23 H new ATOM 0 HG21 ILE A 10 -4.055 1.230 9.052 1.00 30.31 H new ATOM 0 HG22 ILE A 10 -3.556 2.866 8.559 1.00 30.31 H new ATOM 0 HG23 ILE A 10 -3.726 2.470 10.285 1.00 30.31 H new ATOM 0 HD11 ILE A 10 -7.137 -0.134 10.592 1.00 40.01 H new ATOM 0 HD12 ILE A 10 -7.179 0.394 8.893 1.00 40.01 H new ATOM 0 HD13 ILE A 10 -5.635 -0.083 9.638 1.00 40.01 H new ATOM 134 N LYS A 11 -4.035 5.449 8.304 1.00 73.43 N ATOM 135 CA LYS A 11 -3.444 6.225 7.228 1.00 61.05 C ATOM 136 C LYS A 11 -2.087 5.615 6.856 1.00 33.52 C ATOM 137 O LYS A 11 -1.138 6.359 6.594 1.00 41.12 O ATOM 138 CB LYS A 11 -3.320 7.711 7.622 1.00 20.44 C ATOM 139 CG LYS A 11 -4.589 8.369 8.173 1.00 4.32 C ATOM 140 CD LYS A 11 -5.627 8.687 7.091 1.00 72.32 C ATOM 141 CE LYS A 11 -6.994 8.975 7.718 1.00 45.20 C ATOM 142 NZ LYS A 11 -7.004 10.190 8.562 1.00 75.21 N ATOM 0 H LYS A 11 -3.355 5.177 9.014 1.00 73.43 H new ATOM 0 HA LYS A 11 -4.092 6.189 6.353 1.00 61.05 H new ATOM 0 HB2 LYS A 11 -2.533 7.803 8.370 1.00 20.44 H new ATOM 0 HB3 LYS A 11 -2.995 8.272 6.746 1.00 20.44 H new ATOM 0 HG2 LYS A 11 -5.039 7.709 8.915 1.00 4.32 H new ATOM 0 HG3 LYS A 11 -4.318 9.290 8.688 1.00 4.32 H new ATOM 0 HD2 LYS A 11 -5.300 9.548 6.509 1.00 72.32 H new ATOM 0 HD3 LYS A 11 -5.708 7.848 6.400 1.00 72.32 H new ATOM 0 HE2 LYS A 11 -7.734 9.085 6.925 1.00 45.20 H new ATOM 0 HE3 LYS A 11 -7.298 8.119 8.321 1.00 45.20 H new ATOM 0 HZ1 LYS A 11 -7.956 10.330 8.957 1.00 75.21 H new ATOM 0 HZ2 LYS A 11 -6.320 10.080 9.338 1.00 75.21 H new ATOM 0 HZ3 LYS A 11 -6.743 11.015 7.985 1.00 75.21 H new ATOM 156 N GLU A 12 -1.942 4.289 6.885 1.00 11.33 N ATOM 157 CA GLU A 12 -0.706 3.651 6.419 1.00 75.02 C ATOM 158 C GLU A 12 -0.877 2.152 6.118 1.00 21.24 C ATOM 159 O GLU A 12 -0.913 1.334 7.033 1.00 72.22 O ATOM 160 CB GLU A 12 0.420 3.940 7.441 1.00 23.13 C ATOM 161 CG GLU A 12 1.592 2.953 7.526 1.00 20.44 C ATOM 162 CD GLU A 12 2.867 3.590 8.070 1.00 25.23 C ATOM 163 OE1 GLU A 12 2.809 4.402 9.021 1.00 53.30 O ATOM 164 OE2 GLU A 12 3.979 3.268 7.595 1.00 60.22 O ATOM 0 H GLU A 12 -2.654 3.641 7.222 1.00 11.33 H new ATOM 0 HA GLU A 12 -0.428 4.084 5.458 1.00 75.02 H new ATOM 0 HB2 GLU A 12 0.829 4.925 7.216 1.00 23.13 H new ATOM 0 HB3 GLU A 12 -0.035 4.002 8.429 1.00 23.13 H new ATOM 0 HG2 GLU A 12 1.310 2.116 8.164 1.00 20.44 H new ATOM 0 HG3 GLU A 12 1.790 2.546 6.535 1.00 20.44 H new ATOM 171 N ILE A 13 -0.939 1.769 4.839 1.00 14.44 N ATOM 172 CA ILE A 13 -1.296 0.404 4.432 1.00 20.35 C ATOM 173 C ILE A 13 -0.055 -0.485 4.310 1.00 65.12 C ATOM 174 O ILE A 13 1.067 -0.031 4.580 1.00 63.11 O ATOM 175 CB ILE A 13 -2.138 0.410 3.139 1.00 31.13 C ATOM 176 CG1 ILE A 13 -1.352 0.926 1.921 1.00 63.43 C ATOM 177 CG2 ILE A 13 -3.441 1.185 3.347 1.00 72.11 C ATOM 178 CD1 ILE A 13 -1.676 0.095 0.687 1.00 42.23 C ATOM 0 H ILE A 13 -0.744 2.394 4.057 1.00 14.44 H new ATOM 0 HA ILE A 13 -1.918 -0.028 5.216 1.00 20.35 H new ATOM 0 HB ILE A 13 -2.391 -0.626 2.914 1.00 31.13 H new ATOM 0 HG12 ILE A 13 -1.599 1.972 1.738 1.00 63.43 H new ATOM 0 HG13 ILE A 13 -0.282 0.882 2.126 1.00 63.43 H new ATOM 0 HG21 ILE A 13 -4.020 1.177 2.424 1.00 72.11 H new ATOM 0 HG22 ILE A 13 -4.020 0.716 4.143 1.00 72.11 H new ATOM 0 HG23 ILE A 13 -3.212 2.214 3.623 1.00 72.11 H new ATOM 0 HD11 ILE A 13 -1.112 0.474 -0.165 1.00 42.23 H new ATOM 0 HD12 ILE A 13 -1.406 -0.945 0.868 1.00 42.23 H new ATOM 0 HD13 ILE A 13 -2.743 0.161 0.474 1.00 42.23 H new ATOM 190 N ILE A 14 -0.234 -1.745 3.892 1.00 35.31 N ATOM 191 CA ILE A 14 0.840 -2.706 3.677 1.00 22.03 C ATOM 192 C ILE A 14 0.605 -3.439 2.362 1.00 31.02 C ATOM 193 O ILE A 14 -0.275 -4.282 2.252 1.00 73.32 O ATOM 194 CB ILE A 14 0.964 -3.660 4.887 1.00 71.23 C ATOM 195 CG1 ILE A 14 1.392 -2.802 6.089 1.00 22.31 C ATOM 196 CG2 ILE A 14 1.935 -4.826 4.595 1.00 13.53 C ATOM 197 CD1 ILE A 14 1.892 -3.541 7.317 1.00 71.51 C ATOM 0 H ILE A 14 -1.158 -2.128 3.690 1.00 35.31 H new ATOM 0 HA ILE A 14 1.796 -2.189 3.598 1.00 22.03 H new ATOM 0 HB ILE A 14 0.012 -4.144 5.106 1.00 71.23 H new ATOM 0 HG12 ILE A 14 2.178 -2.123 5.758 1.00 22.31 H new ATOM 0 HG13 ILE A 14 0.543 -2.186 6.386 1.00 22.31 H new ATOM 0 HG21 ILE A 14 1.997 -5.476 5.468 1.00 13.53 H new ATOM 0 HG22 ILE A 14 1.570 -5.398 3.742 1.00 13.53 H new ATOM 0 HG23 ILE A 14 2.924 -4.428 4.369 1.00 13.53 H new ATOM 0 HD11 ILE A 14 2.161 -2.821 8.090 1.00 71.51 H new ATOM 0 HD12 ILE A 14 1.107 -4.199 7.690 1.00 71.51 H new ATOM 0 HD13 ILE A 14 2.768 -4.134 7.053 1.00 71.51 H new ATOM 209 N ILE A 15 1.420 -3.164 1.355 1.00 42.24 N ATOM 210 CA ILE A 15 1.503 -4.038 0.199 1.00 35.52 C ATOM 211 C ILE A 15 2.368 -5.220 0.652 1.00 65.35 C ATOM 212 O ILE A 15 3.572 -5.051 0.873 1.00 40.04 O ATOM 213 CB ILE A 15 2.096 -3.290 -1.009 1.00 73.53 C ATOM 214 CG1 ILE A 15 1.515 -1.880 -1.246 1.00 51.20 C ATOM 215 CG2 ILE A 15 1.956 -4.180 -2.262 1.00 25.12 C ATOM 216 CD1 ILE A 15 0.026 -1.850 -1.584 1.00 24.43 C ATOM 0 H ILE A 15 2.029 -2.347 1.316 1.00 42.24 H new ATOM 0 HA ILE A 15 0.526 -4.385 -0.137 1.00 35.52 H new ATOM 0 HB ILE A 15 3.147 -3.106 -0.786 1.00 73.53 H new ATOM 0 HG12 ILE A 15 1.683 -1.278 -0.353 1.00 51.20 H new ATOM 0 HG13 ILE A 15 2.067 -1.406 -2.058 1.00 51.20 H new ATOM 0 HG21 ILE A 15 2.373 -3.661 -3.125 1.00 25.12 H new ATOM 0 HG22 ILE A 15 2.494 -5.115 -2.106 1.00 25.12 H new ATOM 0 HG23 ILE A 15 0.902 -4.393 -2.441 1.00 25.12 H new ATOM 0 HD11 ILE A 15 -0.292 -0.818 -1.733 1.00 24.43 H new ATOM 0 HD12 ILE A 15 -0.152 -2.420 -2.496 1.00 24.43 H new ATOM 0 HD13 ILE A 15 -0.542 -2.290 -0.764 1.00 24.43 H new ATOM 228 N GLN A 16 1.794 -6.409 0.855 1.00 24.23 N ATOM 229 CA GLN A 16 2.617 -7.586 1.115 1.00 54.03 C ATOM 230 C GLN A 16 3.421 -7.919 -0.150 1.00 52.13 C ATOM 231 O GLN A 16 3.092 -7.462 -1.240 1.00 35.51 O ATOM 232 CB GLN A 16 1.750 -8.758 1.614 1.00 51.41 C ATOM 233 CG GLN A 16 2.441 -9.602 2.697 1.00 3.45 C ATOM 234 CD GLN A 16 1.630 -10.836 3.089 1.00 52.31 C ATOM 235 OE1 GLN A 16 1.026 -11.479 2.241 1.00 14.01 O ATOM 236 NE2 GLN A 16 1.626 -11.220 4.353 1.00 23.21 N ATOM 0 H GLN A 16 0.788 -6.578 0.845 1.00 24.23 H new ATOM 0 HA GLN A 16 3.329 -7.384 1.916 1.00 54.03 H new ATOM 0 HB2 GLN A 16 0.813 -8.366 2.010 1.00 51.41 H new ATOM 0 HB3 GLN A 16 1.496 -9.399 0.770 1.00 51.41 H new ATOM 0 HG2 GLN A 16 3.421 -9.915 2.337 1.00 3.45 H new ATOM 0 HG3 GLN A 16 2.608 -8.986 3.581 1.00 3.45 H new ATOM 0 HE21 GLN A 16 2.133 -10.677 5.052 1.00 23.21 H new ATOM 0 HE22 GLN A 16 1.116 -12.059 4.629 1.00 23.21 H new ATOM 245 N GLY A 17 4.485 -8.716 -0.036 1.00 23.44 N ATOM 246 CA GLY A 17 5.214 -9.242 -1.200 1.00 60.10 C ATOM 247 C GLY A 17 4.968 -10.735 -1.392 1.00 33.45 C ATOM 248 O GLY A 17 5.807 -11.443 -1.950 1.00 11.53 O ATOM 0 H GLY A 17 4.867 -9.016 0.861 1.00 23.44 H new ATOM 0 HA2 GLY A 17 4.905 -8.704 -2.096 1.00 60.10 H new ATOM 0 HA3 GLY A 17 6.282 -9.062 -1.072 1.00 60.10 H new ATOM 252 N LEU A 18 3.834 -11.218 -0.888 1.00 22.30 N ATOM 253 CA LEU A 18 3.299 -12.548 -1.053 1.00 34.23 C ATOM 254 C LEU A 18 2.043 -12.387 -1.885 1.00 4.45 C ATOM 255 O LEU A 18 1.309 -11.412 -1.697 1.00 61.15 O ATOM 256 CB LEU A 18 2.938 -13.094 0.331 1.00 65.44 C ATOM 257 CG LEU A 18 3.755 -14.333 0.692 1.00 51.10 C ATOM 258 CD1 LEU A 18 5.223 -13.978 0.957 1.00 4.44 C ATOM 259 CD2 LEU A 18 3.121 -14.864 1.964 1.00 14.04 C ATOM 0 H LEU A 18 3.226 -10.637 -0.311 1.00 22.30 H new ATOM 0 HA LEU A 18 4.004 -13.230 -1.529 1.00 34.23 H new ATOM 0 HB2 LEU A 18 3.104 -12.320 1.080 1.00 65.44 H new ATOM 0 HB3 LEU A 18 1.876 -13.340 0.357 1.00 65.44 H new ATOM 0 HG LEU A 18 3.750 -15.059 -0.121 1.00 51.10 H new ATOM 0 HD11 LEU A 18 5.776 -14.882 1.211 1.00 4.44 H new ATOM 0 HD12 LEU A 18 5.655 -13.527 0.064 1.00 4.44 H new ATOM 0 HD13 LEU A 18 5.283 -13.272 1.785 1.00 4.44 H new ATOM 0 HD21 LEU A 18 3.653 -15.758 2.290 1.00 14.04 H new ATOM 0 HD22 LEU A 18 3.177 -14.104 2.743 1.00 14.04 H new ATOM 0 HD23 LEU A 18 2.077 -15.112 1.774 1.00 14.04 H new ATOM 271 N THR A 19 1.807 -13.312 -2.803 1.00 15.14 N ATOM 272 CA THR A 19 0.629 -13.284 -3.644 1.00 3.44 C ATOM 273 C THR A 19 -0.575 -13.856 -2.884 1.00 71.34 C ATOM 274 O THR A 19 -0.417 -14.606 -1.920 1.00 35.14 O ATOM 275 CB THR A 19 0.937 -14.003 -4.968 1.00 5.31 C ATOM 276 OG1 THR A 19 1.251 -15.370 -4.781 1.00 42.23 O ATOM 277 CG2 THR A 19 2.135 -13.359 -5.678 1.00 51.35 C ATOM 0 H THR A 19 2.428 -14.101 -2.983 1.00 15.14 H new ATOM 0 HA THR A 19 0.356 -12.260 -3.900 1.00 3.44 H new ATOM 0 HB THR A 19 0.031 -13.914 -5.567 1.00 5.31 H new ATOM 0 HG1 THR A 19 1.437 -15.785 -5.649 1.00 42.23 H new ATOM 0 HG21 THR A 19 2.331 -13.887 -6.611 1.00 51.35 H new ATOM 0 HG22 THR A 19 1.912 -12.314 -5.892 1.00 51.35 H new ATOM 0 HG23 THR A 19 3.014 -13.419 -5.036 1.00 51.35 H new ATOM 285 N ARG A 20 -1.790 -13.587 -3.370 1.00 45.23 N ATOM 286 CA ARG A 20 -3.031 -14.254 -2.957 1.00 31.43 C ATOM 287 C ARG A 20 -2.975 -15.780 -3.126 1.00 22.53 C ATOM 288 O ARG A 20 -3.787 -16.499 -2.548 1.00 1.13 O ATOM 289 CB ARG A 20 -4.219 -13.659 -3.730 1.00 54.22 C ATOM 290 CG ARG A 20 -4.102 -13.736 -5.260 1.00 53.11 C ATOM 291 CD ARG A 20 -5.087 -12.796 -5.964 1.00 45.33 C ATOM 292 NE ARG A 20 -6.408 -13.402 -6.191 1.00 43.34 N ATOM 293 CZ ARG A 20 -7.485 -12.758 -6.663 1.00 24.02 C ATOM 294 NH1 ARG A 20 -7.469 -11.460 -6.934 1.00 75.21 N ATOM 295 NH2 ARG A 20 -8.612 -13.426 -6.854 1.00 21.11 N ATOM 0 H ARG A 20 -1.943 -12.876 -4.085 1.00 45.23 H new ATOM 0 HA ARG A 20 -3.161 -14.073 -1.890 1.00 31.43 H new ATOM 0 HB2 ARG A 20 -5.128 -14.176 -3.424 1.00 54.22 H new ATOM 0 HB3 ARG A 20 -4.334 -12.614 -3.442 1.00 54.22 H new ATOM 0 HG2 ARG A 20 -3.085 -13.483 -5.558 1.00 53.11 H new ATOM 0 HG3 ARG A 20 -4.284 -14.760 -5.586 1.00 53.11 H new ATOM 0 HD2 ARG A 20 -5.207 -11.893 -5.366 1.00 45.33 H new ATOM 0 HD3 ARG A 20 -4.666 -12.490 -6.922 1.00 45.33 H new ATOM 0 HE ARG A 20 -6.513 -14.393 -5.971 1.00 43.34 H new ATOM 0 HH11 ARG A 20 -6.618 -10.918 -6.784 1.00 75.21 H new ATOM 0 HH12 ARG A 20 -8.308 -11.003 -7.292 1.00 75.21 H new ATOM 0 HH21 ARG A 20 -8.656 -14.423 -6.642 1.00 21.11 H new ATOM 0 HH22 ARG A 20 -9.436 -12.944 -7.213 1.00 21.11 H new ATOM 309 N ALA A 21 -2.040 -16.284 -3.933 1.00 23.43 N ATOM 310 CA ALA A 21 -1.750 -17.704 -4.089 1.00 21.43 C ATOM 311 C ALA A 21 -0.849 -18.268 -2.975 1.00 62.22 C ATOM 312 O ALA A 21 -0.625 -19.484 -2.956 1.00 64.34 O ATOM 313 CB ALA A 21 -1.086 -17.922 -5.451 1.00 63.20 C ATOM 0 H ALA A 21 -1.446 -15.692 -4.514 1.00 23.43 H new ATOM 0 HA ALA A 21 -2.696 -18.241 -4.021 1.00 21.43 H new ATOM 0 HB1 ALA A 21 -0.863 -18.981 -5.582 1.00 63.20 H new ATOM 0 HB2 ALA A 21 -1.761 -17.593 -6.241 1.00 63.20 H new ATOM 0 HB3 ALA A 21 -0.161 -17.348 -5.501 1.00 63.20 H new ATOM 319 N GLY A 22 -0.307 -17.418 -2.096 1.00 41.31 N ATOM 320 CA GLY A 22 0.479 -17.775 -0.919 1.00 33.23 C ATOM 321 C GLY A 22 1.995 -17.796 -1.142 1.00 44.41 C ATOM 322 O GLY A 22 2.734 -18.193 -0.237 1.00 32.23 O ATOM 0 H GLY A 22 -0.413 -16.408 -2.196 1.00 41.31 H new ATOM 0 HA2 GLY A 22 0.253 -17.069 -0.120 1.00 33.23 H new ATOM 0 HA3 GLY A 22 0.163 -18.759 -0.573 1.00 33.23 H new ATOM 326 N LYS A 23 2.478 -17.417 -2.334 1.00 72.51 N ATOM 327 CA LYS A 23 3.866 -17.582 -2.774 1.00 12.35 C ATOM 328 C LYS A 23 4.594 -16.239 -2.759 1.00 40.54 C ATOM 329 O LYS A 23 3.950 -15.215 -3.009 1.00 50.03 O ATOM 330 CB LYS A 23 3.876 -18.146 -4.204 1.00 4.24 C ATOM 331 CG LYS A 23 3.758 -19.673 -4.267 1.00 43.33 C ATOM 332 CD LYS A 23 2.380 -20.182 -3.835 1.00 4.54 C ATOM 333 CE LYS A 23 2.162 -21.626 -4.278 1.00 75.25 C ATOM 334 NZ LYS A 23 0.937 -22.188 -3.680 1.00 3.21 N ATOM 0 H LYS A 23 1.891 -16.972 -3.040 1.00 72.51 H new ATOM 0 HA LYS A 23 4.374 -18.266 -2.095 1.00 12.35 H new ATOM 0 HB2 LYS A 23 3.053 -17.704 -4.765 1.00 4.24 H new ATOM 0 HB3 LYS A 23 4.798 -17.841 -4.698 1.00 4.24 H new ATOM 0 HG2 LYS A 23 3.960 -20.006 -5.285 1.00 43.33 H new ATOM 0 HG3 LYS A 23 4.521 -20.118 -3.628 1.00 43.33 H new ATOM 0 HD2 LYS A 23 2.287 -20.113 -2.751 1.00 4.54 H new ATOM 0 HD3 LYS A 23 1.604 -19.547 -4.262 1.00 4.54 H new ATOM 0 HE2 LYS A 23 2.092 -21.669 -5.365 1.00 75.25 H new ATOM 0 HE3 LYS A 23 3.021 -22.231 -3.990 1.00 75.25 H new ATOM 0 HZ1 LYS A 23 0.450 -22.783 -4.380 1.00 3.21 H new ATOM 0 HZ2 LYS A 23 1.188 -22.764 -2.851 1.00 3.21 H new ATOM 0 HZ3 LYS A 23 0.308 -21.414 -3.386 1.00 3.21 H new ATOM 348 N PRO A 24 5.918 -16.201 -2.537 1.00 0.31 N ATOM 349 CA PRO A 24 6.656 -14.952 -2.507 1.00 1.41 C ATOM 350 C PRO A 24 6.879 -14.476 -3.935 1.00 44.34 C ATOM 351 O PRO A 24 7.180 -15.277 -4.825 1.00 24.21 O ATOM 352 CB PRO A 24 7.957 -15.281 -1.788 1.00 4.33 C ATOM 353 CG PRO A 24 8.211 -16.755 -2.113 1.00 2.43 C ATOM 354 CD PRO A 24 6.823 -17.336 -2.387 1.00 3.12 C ATOM 0 HA PRO A 24 6.135 -14.144 -1.992 1.00 1.41 H new ATOM 0 HB2 PRO A 24 8.774 -14.651 -2.138 1.00 4.33 H new ATOM 0 HB3 PRO A 24 7.868 -15.121 -0.713 1.00 4.33 H new ATOM 0 HG2 PRO A 24 8.864 -16.863 -2.979 1.00 2.43 H new ATOM 0 HG3 PRO A 24 8.697 -17.266 -1.282 1.00 2.43 H new ATOM 0 HD2 PRO A 24 6.830 -17.948 -3.289 1.00 3.12 H new ATOM 0 HD3 PRO A 24 6.504 -17.980 -1.568 1.00 3.12 H new ATOM 362 N PHE A 25 6.731 -13.177 -4.168 1.00 73.25 N ATOM 363 CA PHE A 25 6.840 -12.574 -5.491 1.00 1.15 C ATOM 364 C PHE A 25 8.323 -12.403 -5.872 1.00 51.42 C ATOM 365 O PHE A 25 9.199 -12.514 -5.007 1.00 73.21 O ATOM 366 CB PHE A 25 6.054 -11.257 -5.427 1.00 44.51 C ATOM 367 CG PHE A 25 6.047 -10.427 -6.691 1.00 55.10 C ATOM 368 CD1 PHE A 25 5.690 -10.993 -7.931 1.00 30.33 C ATOM 369 CD2 PHE A 25 6.397 -9.068 -6.618 1.00 62.33 C ATOM 370 CE1 PHE A 25 5.759 -10.214 -9.098 1.00 24.30 C ATOM 371 CE2 PHE A 25 6.451 -8.289 -7.781 1.00 71.30 C ATOM 372 CZ PHE A 25 6.162 -8.869 -9.025 1.00 61.04 C ATOM 0 H PHE A 25 6.529 -12.502 -3.431 1.00 73.25 H new ATOM 0 HA PHE A 25 6.418 -13.198 -6.279 1.00 1.15 H new ATOM 0 HB2 PHE A 25 5.022 -11.485 -5.160 1.00 44.51 H new ATOM 0 HB3 PHE A 25 6.465 -10.650 -4.620 1.00 44.51 H new ATOM 0 HD1 PHE A 25 5.365 -12.021 -7.984 1.00 30.33 H new ATOM 0 HD2 PHE A 25 6.625 -8.622 -5.661 1.00 62.33 H new ATOM 0 HE1 PHE A 25 5.502 -10.649 -10.053 1.00 24.30 H new ATOM 0 HE2 PHE A 25 6.715 -7.243 -7.720 1.00 71.30 H new ATOM 0 HZ PHE A 25 6.249 -8.282 -9.927 1.00 61.04 H new ATOM 382 N ARG A 26 8.627 -12.135 -7.149 1.00 43.50 N ATOM 383 CA ARG A 26 9.958 -11.727 -7.602 1.00 31.54 C ATOM 384 C ARG A 26 9.814 -10.522 -8.529 1.00 72.44 C ATOM 385 O ARG A 26 8.833 -10.447 -9.269 1.00 64.52 O ATOM 386 CB ARG A 26 10.709 -12.843 -8.351 1.00 61.53 C ATOM 387 CG ARG A 26 11.299 -13.943 -7.462 1.00 13.42 C ATOM 388 CD ARG A 26 12.514 -13.431 -6.675 1.00 12.24 C ATOM 389 NE ARG A 26 13.111 -14.485 -5.844 1.00 31.21 N ATOM 390 CZ ARG A 26 14.068 -15.345 -6.208 1.00 63.24 C ATOM 391 NH1 ARG A 26 14.544 -15.371 -7.451 1.00 72.22 N ATOM 392 NH2 ARG A 26 14.560 -16.206 -5.327 1.00 34.32 N ATOM 0 H ARG A 26 7.944 -12.197 -7.904 1.00 43.50 H new ATOM 0 HA ARG A 26 10.542 -11.484 -6.714 1.00 31.54 H new ATOM 0 HB2 ARG A 26 10.026 -13.303 -9.065 1.00 61.53 H new ATOM 0 HB3 ARG A 26 11.517 -12.392 -8.928 1.00 61.53 H new ATOM 0 HG2 ARG A 26 10.538 -14.301 -6.768 1.00 13.42 H new ATOM 0 HG3 ARG A 26 11.593 -14.793 -8.078 1.00 13.42 H new ATOM 0 HD2 ARG A 26 13.262 -13.049 -7.370 1.00 12.24 H new ATOM 0 HD3 ARG A 26 12.211 -12.597 -6.042 1.00 12.24 H new ATOM 0 HE ARG A 26 12.759 -14.570 -4.890 1.00 31.21 H new ATOM 0 HH11 ARG A 26 14.178 -14.725 -8.151 1.00 72.22 H new ATOM 0 HH12 ARG A 26 15.274 -16.037 -7.704 1.00 72.22 H new ATOM 0 HH21 ARG A 26 14.208 -16.213 -4.370 1.00 34.32 H new ATOM 0 HH22 ARG A 26 15.290 -16.861 -5.607 1.00 34.32 H new ATOM 406 N PRO A 27 10.816 -9.635 -8.595 1.00 32.41 N ATOM 407 CA PRO A 27 12.072 -9.726 -7.864 1.00 41.24 C ATOM 408 C PRO A 27 11.847 -9.442 -6.378 1.00 11.54 C ATOM 409 O PRO A 27 10.808 -8.898 -6.021 1.00 52.30 O ATOM 410 CB PRO A 27 12.950 -8.646 -8.499 1.00 54.03 C ATOM 411 CG PRO A 27 11.944 -7.579 -8.926 1.00 51.05 C ATOM 412 CD PRO A 27 10.769 -8.428 -9.396 1.00 14.25 C ATOM 0 HA PRO A 27 12.524 -10.716 -7.920 1.00 41.24 H new ATOM 0 HB2 PRO A 27 13.678 -8.251 -7.790 1.00 54.03 H new ATOM 0 HB3 PRO A 27 13.511 -9.033 -9.350 1.00 54.03 H new ATOM 0 HG2 PRO A 27 11.669 -6.922 -8.100 1.00 51.05 H new ATOM 0 HG3 PRO A 27 12.334 -6.945 -9.722 1.00 51.05 H new ATOM 0 HD2 PRO A 27 9.825 -7.902 -9.257 1.00 14.25 H new ATOM 0 HD3 PRO A 27 10.852 -8.659 -10.458 1.00 14.25 H new ATOM 420 N SER A 28 12.801 -9.765 -5.503 1.00 31.53 N ATOM 421 CA SER A 28 12.734 -9.355 -4.092 1.00 60.50 C ATOM 422 C SER A 28 12.568 -7.837 -3.995 1.00 32.35 C ATOM 423 O SER A 28 11.762 -7.310 -3.224 1.00 45.14 O ATOM 424 CB SER A 28 14.004 -9.818 -3.356 1.00 73.43 C ATOM 425 OG SER A 28 15.141 -9.915 -4.209 1.00 60.43 O ATOM 0 H SER A 28 13.630 -10.309 -5.743 1.00 31.53 H new ATOM 0 HA SER A 28 11.870 -9.822 -3.619 1.00 60.50 H new ATOM 0 HB2 SER A 28 14.223 -9.121 -2.547 1.00 73.43 H new ATOM 0 HB3 SER A 28 13.817 -10.789 -2.898 1.00 73.43 H new ATOM 0 HG SER A 28 15.349 -9.031 -4.578 1.00 60.43 H new ATOM 431 N ASP A 29 13.319 -7.163 -4.853 1.00 74.53 N ATOM 432 CA ASP A 29 13.669 -5.760 -4.862 1.00 5.32 C ATOM 433 C ASP A 29 12.544 -4.891 -5.400 1.00 74.24 C ATOM 434 O ASP A 29 12.746 -3.692 -5.566 1.00 74.02 O ATOM 435 CB ASP A 29 14.903 -5.588 -5.759 1.00 22.15 C ATOM 436 CG ASP A 29 16.108 -6.377 -5.265 1.00 72.42 C ATOM 437 OD1 ASP A 29 16.004 -7.614 -5.092 1.00 44.21 O ATOM 438 OD2 ASP A 29 17.158 -5.756 -5.019 1.00 11.44 O ATOM 0 H ASP A 29 13.742 -7.645 -5.646 1.00 74.53 H new ATOM 0 HA ASP A 29 13.865 -5.445 -3.837 1.00 5.32 H new ATOM 0 HB2 ASP A 29 14.657 -5.906 -6.772 1.00 22.15 H new ATOM 0 HB3 ASP A 29 15.164 -4.531 -5.811 1.00 22.15 H new ATOM 443 N TRP A 30 11.367 -5.455 -5.695 1.00 75.33 N ATOM 444 CA TRP A 30 10.205 -4.695 -6.156 1.00 34.41 C ATOM 445 C TRP A 30 9.903 -3.528 -5.193 1.00 74.10 C ATOM 446 O TRP A 30 9.558 -2.423 -5.600 1.00 61.24 O ATOM 447 CB TRP A 30 9.017 -5.658 -6.345 1.00 14.43 C ATOM 448 CG TRP A 30 8.327 -6.133 -5.095 1.00 12.41 C ATOM 449 CD1 TRP A 30 8.513 -7.298 -4.430 1.00 24.22 C ATOM 450 CD2 TRP A 30 7.282 -5.439 -4.359 1.00 12.53 C ATOM 451 NE1 TRP A 30 7.685 -7.356 -3.332 1.00 75.20 N ATOM 452 CE2 TRP A 30 6.870 -6.249 -3.260 1.00 12.13 C ATOM 453 CE3 TRP A 30 6.639 -4.197 -4.524 1.00 34.54 C ATOM 454 CZ2 TRP A 30 5.879 -5.837 -2.357 1.00 55.53 C ATOM 455 CZ3 TRP A 30 5.639 -3.783 -3.632 1.00 20.31 C ATOM 456 CH2 TRP A 30 5.280 -4.590 -2.543 1.00 32.32 C ATOM 0 H TRP A 30 11.196 -6.458 -5.619 1.00 75.33 H new ATOM 0 HA TRP A 30 10.409 -4.235 -7.123 1.00 34.41 H new ATOM 0 HB2 TRP A 30 8.277 -5.166 -6.976 1.00 14.43 H new ATOM 0 HB3 TRP A 30 9.371 -6.532 -6.891 1.00 14.43 H new ATOM 0 HD1 TRP A 30 9.210 -8.070 -4.719 1.00 24.22 H new ATOM 0 HE1 TRP A 30 7.676 -8.121 -2.658 1.00 75.20 H new ATOM 0 HE3 TRP A 30 6.919 -3.556 -5.347 1.00 34.54 H new ATOM 0 HZ2 TRP A 30 5.585 -6.472 -1.534 1.00 55.53 H new ATOM 0 HZ3 TRP A 30 5.142 -2.836 -3.785 1.00 20.31 H new ATOM 0 HH2 TRP A 30 4.534 -4.244 -1.843 1.00 32.32 H new ATOM 467 N VAL A 31 10.144 -3.766 -3.909 1.00 0.01 N ATOM 468 CA VAL A 31 10.086 -2.858 -2.775 1.00 13.15 C ATOM 469 C VAL A 31 10.978 -1.627 -2.999 1.00 74.01 C ATOM 470 O VAL A 31 10.570 -0.487 -2.756 1.00 11.04 O ATOM 471 CB VAL A 31 10.548 -3.708 -1.570 1.00 32.01 C ATOM 472 CG1 VAL A 31 10.597 -2.984 -0.225 1.00 42.31 C ATOM 473 CG2 VAL A 31 9.636 -4.929 -1.409 1.00 21.20 C ATOM 0 H VAL A 31 10.414 -4.702 -3.607 1.00 0.01 H new ATOM 0 HA VAL A 31 9.087 -2.452 -2.616 1.00 13.15 H new ATOM 0 HB VAL A 31 11.575 -3.979 -1.815 1.00 32.01 H new ATOM 0 HG11 VAL A 31 10.934 -3.675 0.548 1.00 42.31 H new ATOM 0 HG12 VAL A 31 11.290 -2.145 -0.289 1.00 42.31 H new ATOM 0 HG13 VAL A 31 9.602 -2.615 0.026 1.00 42.31 H new ATOM 0 HG21 VAL A 31 9.969 -5.522 -0.557 1.00 21.20 H new ATOM 0 HG22 VAL A 31 8.611 -4.598 -1.242 1.00 21.20 H new ATOM 0 HG23 VAL A 31 9.678 -5.536 -2.313 1.00 21.20 H new ATOM 483 N ASP A 32 12.210 -1.849 -3.449 1.00 3.03 N ATOM 484 CA ASP A 32 13.212 -0.812 -3.674 1.00 13.41 C ATOM 485 C ASP A 32 12.958 -0.126 -5.013 1.00 50.15 C ATOM 486 O ASP A 32 13.250 1.061 -5.158 1.00 14.14 O ATOM 487 CB ASP A 32 14.626 -1.405 -3.611 1.00 15.32 C ATOM 488 CG ASP A 32 15.050 -1.639 -2.159 1.00 20.24 C ATOM 489 OD1 ASP A 32 14.413 -2.466 -1.469 1.00 53.01 O ATOM 490 OD2 ASP A 32 15.949 -0.935 -1.641 1.00 42.12 O ATOM 0 H ASP A 32 12.549 -2.784 -3.674 1.00 3.03 H new ATOM 0 HA ASP A 32 13.133 -0.064 -2.885 1.00 13.41 H new ATOM 0 HB2 ASP A 32 14.656 -2.346 -4.160 1.00 15.32 H new ATOM 0 HB3 ASP A 32 15.331 -0.730 -4.097 1.00 15.32 H new ATOM 495 N ARG A 33 12.347 -0.835 -5.975 1.00 5.12 N ATOM 496 CA ARG A 33 11.907 -0.237 -7.238 1.00 31.23 C ATOM 497 C ARG A 33 10.902 0.864 -6.946 1.00 74.32 C ATOM 498 O ARG A 33 11.035 1.950 -7.505 1.00 52.25 O ATOM 499 CB ARG A 33 11.340 -1.276 -8.227 1.00 11.34 C ATOM 500 CG ARG A 33 12.429 -2.249 -8.684 1.00 12.41 C ATOM 501 CD ARG A 33 12.001 -3.267 -9.755 1.00 13.13 C ATOM 502 NE ARG A 33 12.074 -2.754 -11.134 1.00 41.12 N ATOM 503 CZ ARG A 33 13.186 -2.432 -11.811 1.00 54.20 C ATOM 504 NH1 ARG A 33 14.386 -2.473 -11.239 1.00 12.53 N ATOM 505 NH2 ARG A 33 13.085 -2.086 -13.087 1.00 3.32 N ATOM 0 H ARG A 33 12.147 -1.832 -5.897 1.00 5.12 H new ATOM 0 HA ARG A 33 12.779 0.190 -7.732 1.00 31.23 H new ATOM 0 HB2 ARG A 33 10.529 -1.829 -7.754 1.00 11.34 H new ATOM 0 HB3 ARG A 33 10.916 -0.766 -9.092 1.00 11.34 H new ATOM 0 HG2 ARG A 33 13.268 -1.672 -9.071 1.00 12.41 H new ATOM 0 HG3 ARG A 33 12.793 -2.795 -7.813 1.00 12.41 H new ATOM 0 HD2 ARG A 33 12.633 -4.151 -9.674 1.00 13.13 H new ATOM 0 HD3 ARG A 33 10.979 -3.586 -9.551 1.00 13.13 H new ATOM 0 HE ARG A 33 11.188 -2.631 -11.624 1.00 41.12 H new ATOM 0 HH11 ARG A 33 14.476 -2.754 -10.263 1.00 12.53 H new ATOM 0 HH12 ARG A 33 15.216 -2.223 -11.777 1.00 12.53 H new ATOM 0 HH21 ARG A 33 12.171 -2.068 -13.540 1.00 3.32 H new ATOM 0 HH22 ARG A 33 13.921 -1.838 -13.616 1.00 3.32 H new ATOM 519 N MET A 34 9.935 0.628 -6.053 1.00 35.10 N ATOM 520 CA MET A 34 9.006 1.681 -5.651 1.00 75.21 C ATOM 521 C MET A 34 9.770 2.838 -5.029 1.00 63.13 C ATOM 522 O MET A 34 9.573 3.978 -5.432 1.00 3.22 O ATOM 523 CB MET A 34 7.958 1.184 -4.656 1.00 62.23 C ATOM 524 CG MET A 34 7.169 -0.020 -5.157 1.00 22.14 C ATOM 525 SD MET A 34 6.626 0.130 -6.872 1.00 42.24 S ATOM 526 CE MET A 34 5.152 -0.889 -6.791 1.00 52.15 C ATOM 0 H MET A 34 9.779 -0.273 -5.601 1.00 35.10 H new ATOM 0 HA MET A 34 8.486 2.008 -6.552 1.00 75.21 H new ATOM 0 HB2 MET A 34 8.452 0.921 -3.721 1.00 62.23 H new ATOM 0 HB3 MET A 34 7.265 1.996 -4.434 1.00 62.23 H new ATOM 0 HG2 MET A 34 7.785 -0.914 -5.057 1.00 22.14 H new ATOM 0 HG3 MET A 34 6.296 -0.162 -4.520 1.00 22.14 H new ATOM 0 HE1 MET A 34 4.455 -0.584 -7.572 1.00 52.15 H new ATOM 0 HE2 MET A 34 5.424 -1.935 -6.936 1.00 52.15 H new ATOM 0 HE3 MET A 34 4.680 -0.769 -5.816 1.00 52.15 H new ATOM 536 N CYS A 35 10.659 2.542 -4.078 1.00 64.03 N ATOM 537 CA CYS A 35 11.473 3.529 -3.380 1.00 32.21 C ATOM 538 C CYS A 35 12.099 4.503 -4.384 1.00 72.11 C ATOM 539 O CYS A 35 11.928 5.713 -4.265 1.00 0.13 O ATOM 540 CB CYS A 35 12.549 2.790 -2.571 1.00 4.34 C ATOM 541 SG CYS A 35 12.695 3.418 -0.881 1.00 71.14 S ATOM 0 H CYS A 35 10.834 1.586 -3.768 1.00 64.03 H new ATOM 0 HA CYS A 35 10.856 4.115 -2.699 1.00 32.21 H new ATOM 0 HB2 CYS A 35 12.311 1.727 -2.541 1.00 4.34 H new ATOM 0 HB3 CYS A 35 13.510 2.887 -3.076 1.00 4.34 H new ATOM 0 HG CYS A 35 13.441 4.483 -0.877 1.00 71.14 H new ATOM 547 N SER A 36 12.799 3.970 -5.383 1.00 14.01 N ATOM 548 CA SER A 36 13.465 4.730 -6.426 1.00 24.23 C ATOM 549 C SER A 36 12.510 5.404 -7.418 1.00 33.12 C ATOM 550 O SER A 36 12.810 6.504 -7.880 1.00 14.11 O ATOM 551 CB SER A 36 14.387 3.763 -7.157 1.00 71.23 C ATOM 552 OG SER A 36 15.686 3.768 -6.587 1.00 31.32 O ATOM 0 H SER A 36 12.919 2.963 -5.488 1.00 14.01 H new ATOM 0 HA SER A 36 14.009 5.551 -5.959 1.00 24.23 H new ATOM 0 HB2 SER A 36 13.971 2.756 -7.114 1.00 71.23 H new ATOM 0 HB3 SER A 36 14.447 4.038 -8.210 1.00 71.23 H new ATOM 0 HG SER A 36 16.259 3.138 -7.072 1.00 31.32 H new ATOM 558 N THR A 37 11.396 4.773 -7.789 1.00 25.23 N ATOM 559 CA THR A 37 10.453 5.352 -8.745 1.00 50.12 C ATOM 560 C THR A 37 9.775 6.581 -8.125 1.00 24.54 C ATOM 561 O THR A 37 9.606 7.608 -8.782 1.00 30.41 O ATOM 562 CB THR A 37 9.442 4.272 -9.164 1.00 13.21 C ATOM 563 OG1 THR A 37 10.123 3.179 -9.741 1.00 71.35 O ATOM 564 CG2 THR A 37 8.409 4.755 -10.181 1.00 62.41 C ATOM 0 H THR A 37 11.124 3.854 -7.439 1.00 25.23 H new ATOM 0 HA THR A 37 10.972 5.692 -9.641 1.00 50.12 H new ATOM 0 HB THR A 37 8.914 3.994 -8.252 1.00 13.21 H new ATOM 0 HG1 THR A 37 10.558 2.656 -9.036 1.00 71.35 H new ATOM 0 HG21 THR A 37 7.731 3.938 -10.427 1.00 62.41 H new ATOM 0 HG22 THR A 37 7.840 5.583 -9.757 1.00 62.41 H new ATOM 0 HG23 THR A 37 8.917 5.090 -11.085 1.00 62.41 H new ATOM 572 N TYR A 38 9.425 6.493 -6.842 1.00 14.33 N ATOM 573 CA TYR A 38 8.733 7.522 -6.086 1.00 11.45 C ATOM 574 C TYR A 38 9.763 8.441 -5.415 1.00 75.21 C ATOM 575 O TYR A 38 9.556 8.867 -4.278 1.00 64.00 O ATOM 576 CB TYR A 38 7.738 6.857 -5.111 1.00 64.21 C ATOM 577 CG TYR A 38 6.542 6.190 -5.784 1.00 43.55 C ATOM 578 CD1 TYR A 38 6.716 5.030 -6.563 1.00 3.34 C ATOM 579 CD2 TYR A 38 5.247 6.729 -5.642 1.00 63.25 C ATOM 580 CE1 TYR A 38 5.640 4.426 -7.222 1.00 65.42 C ATOM 581 CE2 TYR A 38 4.155 6.121 -6.292 1.00 32.41 C ATOM 582 CZ TYR A 38 4.347 4.968 -7.092 1.00 4.40 C ATOM 583 OH TYR A 38 3.297 4.353 -7.698 1.00 0.14 O ATOM 0 H TYR A 38 9.627 5.665 -6.282 1.00 14.33 H new ATOM 0 HA TYR A 38 8.137 8.163 -6.736 1.00 11.45 H new ATOM 0 HB2 TYR A 38 8.270 6.110 -4.522 1.00 64.21 H new ATOM 0 HB3 TYR A 38 7.373 7.611 -4.414 1.00 64.21 H new ATOM 0 HD1 TYR A 38 7.701 4.597 -6.654 1.00 3.34 H new ATOM 0 HD2 TYR A 38 5.092 7.608 -5.035 1.00 63.25 H new ATOM 0 HE1 TYR A 38 5.801 3.547 -7.828 1.00 65.42 H new ATOM 0 HE2 TYR A 38 3.165 6.537 -6.180 1.00 32.41 H new ATOM 0 HH TYR A 38 2.466 4.814 -7.459 1.00 0.14 H new ATOM 593 N ALA A 39 10.888 8.740 -6.073 1.00 24.41 N ATOM 594 CA ALA A 39 11.964 9.575 -5.547 1.00 75.01 C ATOM 595 C ALA A 39 12.439 10.589 -6.591 1.00 61.01 C ATOM 596 O ALA A 39 12.017 10.543 -7.749 1.00 43.00 O ATOM 597 CB ALA A 39 13.111 8.671 -5.105 1.00 73.41 C ATOM 0 H ALA A 39 11.077 8.395 -7.014 1.00 24.41 H new ATOM 0 HA ALA A 39 11.595 10.144 -4.694 1.00 75.01 H new ATOM 0 HB1 ALA A 39 13.923 9.281 -4.709 1.00 73.41 H new ATOM 0 HB2 ALA A 39 12.759 7.989 -4.331 1.00 73.41 H new ATOM 0 HB3 ALA A 39 13.471 8.097 -5.958 1.00 73.41 H new ATOM 603 N SER A 40 13.338 11.492 -6.189 1.00 60.20 N ATOM 604 CA SER A 40 13.860 12.574 -7.026 1.00 44.32 C ATOM 605 C SER A 40 15.363 12.722 -6.828 1.00 12.05 C ATOM 606 O SER A 40 15.863 12.489 -5.731 1.00 10.24 O ATOM 607 CB SER A 40 13.183 13.892 -6.633 1.00 30.01 C ATOM 608 OG SER A 40 11.772 13.767 -6.631 1.00 34.42 O ATOM 0 H SER A 40 13.732 11.490 -5.248 1.00 60.20 H new ATOM 0 HA SER A 40 13.655 12.337 -8.070 1.00 44.32 H new ATOM 0 HB2 SER A 40 13.524 14.197 -5.644 1.00 30.01 H new ATOM 0 HB3 SER A 40 13.479 14.677 -7.329 1.00 30.01 H new ATOM 0 HG SER A 40 11.368 14.622 -6.375 1.00 34.42 H new ATOM 614 N PHE A 41 16.095 13.137 -7.862 1.00 20.14 N ATOM 615 CA PHE A 41 17.445 13.664 -7.704 1.00 44.00 C ATOM 616 C PHE A 41 17.390 14.951 -6.889 1.00 75.45 C ATOM 617 O PHE A 41 16.512 15.790 -7.114 1.00 70.55 O ATOM 618 CB PHE A 41 18.065 13.955 -9.078 1.00 54.25 C ATOM 619 CG PHE A 41 18.833 12.812 -9.724 1.00 21.43 C ATOM 620 CD1 PHE A 41 18.546 11.466 -9.425 1.00 42.43 C ATOM 621 CD2 PHE A 41 19.901 13.102 -10.591 1.00 14.22 C ATOM 622 CE1 PHE A 41 19.378 10.437 -9.892 1.00 52.51 C ATOM 623 CE2 PHE A 41 20.725 12.074 -11.078 1.00 3.14 C ATOM 624 CZ PHE A 41 20.476 10.744 -10.711 1.00 4.42 C ATOM 0 H PHE A 41 15.768 13.116 -8.828 1.00 20.14 H new ATOM 0 HA PHE A 41 18.059 12.925 -7.189 1.00 44.00 H new ATOM 0 HB2 PHE A 41 17.268 14.258 -9.756 1.00 54.25 H new ATOM 0 HB3 PHE A 41 18.738 14.806 -8.977 1.00 54.25 H new ATOM 0 HD1 PHE A 41 17.677 11.223 -8.831 1.00 42.43 H new ATOM 0 HD2 PHE A 41 20.089 14.124 -10.885 1.00 14.22 H new ATOM 0 HE1 PHE A 41 19.174 9.411 -9.622 1.00 52.51 H new ATOM 0 HE2 PHE A 41 21.550 12.308 -11.735 1.00 3.14 H new ATOM 0 HZ PHE A 41 21.128 9.956 -11.058 1.00 4.42 H new ATOM 634 N GLY A 42 18.360 15.136 -5.997 1.00 62.23 N ATOM 635 CA GLY A 42 18.562 16.382 -5.276 1.00 12.12 C ATOM 636 C GLY A 42 19.884 17.005 -5.682 1.00 62.23 C ATOM 637 O GLY A 42 20.430 16.671 -6.735 1.00 42.23 O ATOM 0 H GLY A 42 19.036 14.412 -5.754 1.00 62.23 H new ATOM 0 HA2 GLY A 42 17.745 17.071 -5.488 1.00 12.12 H new ATOM 0 HA3 GLY A 42 18.552 16.196 -4.202 1.00 12.12 H new ATOM 641 N ALA A 43 20.401 17.890 -4.830 1.00 61.25 N ATOM 642 CA ALA A 43 21.585 18.701 -5.073 1.00 41.25 C ATOM 643 C ALA A 43 22.823 17.914 -5.513 1.00 31.44 C ATOM 644 O ALA A 43 23.681 18.481 -6.191 1.00 12.20 O ATOM 645 CB ALA A 43 21.912 19.488 -3.797 1.00 21.20 C ATOM 0 H ALA A 43 19.986 18.066 -3.915 1.00 61.25 H new ATOM 0 HA ALA A 43 21.341 19.357 -5.909 1.00 41.25 H new ATOM 0 HB1 ALA A 43 22.798 20.101 -3.964 1.00 21.20 H new ATOM 0 HB2 ALA A 43 21.070 20.130 -3.540 1.00 21.20 H new ATOM 0 HB3 ALA A 43 22.101 18.793 -2.979 1.00 21.20 H new ATOM 651 N ASP A 44 22.937 16.646 -5.109 1.00 4.22 N ATOM 652 CA ASP A 44 24.074 15.770 -5.410 1.00 23.25 C ATOM 653 C ASP A 44 23.889 15.009 -6.732 1.00 14.45 C ATOM 654 O ASP A 44 24.810 14.342 -7.202 1.00 73.44 O ATOM 655 CB ASP A 44 24.232 14.762 -4.262 1.00 52.12 C ATOM 656 CG ASP A 44 25.688 14.354 -4.051 1.00 23.41 C ATOM 657 OD1 ASP A 44 26.401 15.105 -3.351 1.00 74.15 O ATOM 658 OD2 ASP A 44 26.089 13.242 -4.475 1.00 20.21 O ATOM 0 H ASP A 44 22.220 16.187 -4.547 1.00 4.22 H new ATOM 0 HA ASP A 44 24.963 16.392 -5.514 1.00 23.25 H new ATOM 0 HB2 ASP A 44 23.841 15.197 -3.342 1.00 52.12 H new ATOM 0 HB3 ASP A 44 23.635 13.875 -4.474 1.00 52.12 H new ATOM 663 N ARG A 45 22.697 15.103 -7.336 1.00 62.23 N ATOM 664 CA ARG A 45 22.204 14.294 -8.451 1.00 33.34 C ATOM 665 C ARG A 45 22.445 12.802 -8.219 1.00 35.50 C ATOM 666 O ARG A 45 23.098 12.119 -9.003 1.00 72.22 O ATOM 667 CB ARG A 45 22.716 14.842 -9.798 1.00 54.23 C ATOM 668 CG ARG A 45 22.001 16.155 -10.172 1.00 51.32 C ATOM 669 CD ARG A 45 22.862 17.397 -9.937 1.00 31.24 C ATOM 670 NE ARG A 45 23.644 17.733 -11.138 1.00 4.35 N ATOM 671 CZ ARG A 45 24.173 18.939 -11.372 1.00 24.51 C ATOM 672 NH1 ARG A 45 24.371 19.790 -10.376 1.00 0.34 N ATOM 673 NH2 ARG A 45 24.474 19.321 -12.606 1.00 32.21 N ATOM 0 H ARG A 45 22.008 15.793 -7.036 1.00 62.23 H new ATOM 0 HA ARG A 45 21.119 14.382 -8.504 1.00 33.34 H new ATOM 0 HB2 ARG A 45 23.791 15.014 -9.739 1.00 54.23 H new ATOM 0 HB3 ARG A 45 22.554 14.101 -10.581 1.00 54.23 H new ATOM 0 HG2 ARG A 45 21.709 16.116 -11.221 1.00 51.32 H new ATOM 0 HG3 ARG A 45 21.084 16.241 -9.589 1.00 51.32 H new ATOM 0 HD2 ARG A 45 22.225 18.239 -9.666 1.00 31.24 H new ATOM 0 HD3 ARG A 45 23.535 17.223 -9.097 1.00 31.24 H new ATOM 0 HE ARG A 45 23.791 17.002 -11.834 1.00 4.35 H new ATOM 0 HH11 ARG A 45 24.120 19.527 -9.423 1.00 0.34 H new ATOM 0 HH12 ARG A 45 24.775 20.708 -10.562 1.00 0.34 H new ATOM 0 HH21 ARG A 45 24.302 18.692 -13.391 1.00 32.21 H new ATOM 0 HH22 ARG A 45 24.877 20.244 -12.770 1.00 32.21 H new ATOM 687 N LYS A 46 21.878 12.287 -7.124 1.00 62.11 N ATOM 688 CA LYS A 46 22.067 10.910 -6.678 1.00 54.11 C ATOM 689 C LYS A 46 20.816 10.369 -6.006 1.00 42.51 C ATOM 690 O LYS A 46 20.898 9.667 -4.996 1.00 20.53 O ATOM 691 CB LYS A 46 23.271 10.902 -5.726 1.00 44.21 C ATOM 692 CG LYS A 46 23.828 9.490 -5.484 1.00 65.31 C ATOM 693 CD LYS A 46 25.091 9.209 -6.299 1.00 52.33 C ATOM 694 CE LYS A 46 25.440 7.732 -6.123 1.00 65.44 C ATOM 695 NZ LYS A 46 26.760 7.400 -6.683 1.00 53.22 N ATOM 0 H LYS A 46 21.265 12.828 -6.514 1.00 62.11 H new ATOM 0 HA LYS A 46 22.256 10.256 -7.529 1.00 54.11 H new ATOM 0 HB2 LYS A 46 24.059 11.533 -6.138 1.00 44.21 H new ATOM 0 HB3 LYS A 46 22.977 11.341 -4.772 1.00 44.21 H new ATOM 0 HG2 LYS A 46 24.049 9.367 -4.424 1.00 65.31 H new ATOM 0 HG3 LYS A 46 23.065 8.754 -5.738 1.00 65.31 H new ATOM 0 HD2 LYS A 46 24.926 9.440 -7.351 1.00 52.33 H new ATOM 0 HD3 LYS A 46 25.913 9.839 -5.959 1.00 52.33 H new ATOM 0 HE2 LYS A 46 25.424 7.481 -5.062 1.00 65.44 H new ATOM 0 HE3 LYS A 46 24.678 7.121 -6.607 1.00 65.44 H new ATOM 0 HZ1 LYS A 46 26.953 6.388 -6.540 1.00 53.22 H new ATOM 0 HZ2 LYS A 46 26.769 7.614 -7.701 1.00 53.22 H new ATOM 0 HZ3 LYS A 46 27.492 7.963 -6.204 1.00 53.22 H new ATOM 709 N LEU A 47 19.647 10.667 -6.572 1.00 64.02 N ATOM 710 CA LEU A 47 18.351 10.375 -6.000 1.00 14.03 C ATOM 711 C LEU A 47 18.234 10.912 -4.550 1.00 73.01 C ATOM 712 O LEU A 47 19.099 11.666 -4.103 1.00 20.52 O ATOM 713 CB LEU A 47 18.092 8.870 -6.199 1.00 53.15 C ATOM 714 CG LEU A 47 17.194 8.426 -7.365 1.00 13.14 C ATOM 715 CD1 LEU A 47 16.866 6.938 -7.234 1.00 21.01 C ATOM 716 CD2 LEU A 47 15.898 9.225 -7.440 1.00 24.12 C ATOM 0 H LEU A 47 19.584 11.136 -7.476 1.00 64.02 H new ATOM 0 HA LEU A 47 17.545 10.905 -6.507 1.00 14.03 H new ATOM 0 HB2 LEU A 47 19.059 8.381 -6.321 1.00 53.15 H new ATOM 0 HB3 LEU A 47 17.654 8.485 -5.278 1.00 53.15 H new ATOM 0 HG LEU A 47 17.750 8.611 -8.284 1.00 13.14 H new ATOM 0 HD11 LEU A 47 16.229 6.631 -8.064 1.00 21.01 H new ATOM 0 HD12 LEU A 47 17.789 6.359 -7.252 1.00 21.01 H new ATOM 0 HD13 LEU A 47 16.345 6.762 -6.293 1.00 21.01 H new ATOM 0 HD21 LEU A 47 15.301 8.872 -8.281 1.00 24.12 H new ATOM 0 HD22 LEU A 47 15.336 9.094 -6.515 1.00 24.12 H new ATOM 0 HD23 LEU A 47 16.129 10.281 -7.578 1.00 24.12 H new ATOM 728 N ARG A 48 17.125 10.640 -3.860 1.00 43.01 N ATOM 729 CA ARG A 48 16.769 10.980 -2.486 1.00 42.04 C ATOM 730 C ARG A 48 15.375 10.410 -2.302 1.00 33.01 C ATOM 731 O ARG A 48 14.452 10.860 -2.991 1.00 53.41 O ATOM 732 CB ARG A 48 16.720 12.501 -2.285 1.00 0.14 C ATOM 733 CG ARG A 48 17.918 13.040 -1.501 1.00 1.11 C ATOM 734 CD ARG A 48 18.055 14.525 -1.825 1.00 62.22 C ATOM 735 NE ARG A 48 19.178 15.115 -1.086 1.00 72.11 N ATOM 736 CZ ARG A 48 19.324 16.364 -0.636 1.00 41.34 C ATOM 737 NH1 ARG A 48 18.486 17.339 -0.973 1.00 54.22 N ATOM 738 NH2 ARG A 48 20.350 16.614 0.164 1.00 44.31 N ATOM 0 H ARG A 48 16.371 10.116 -4.304 1.00 43.01 H new ATOM 0 HA ARG A 48 17.497 10.586 -1.776 1.00 42.04 H new ATOM 0 HB2 ARG A 48 16.681 12.989 -3.259 1.00 0.14 H new ATOM 0 HB3 ARG A 48 15.802 12.763 -1.760 1.00 0.14 H new ATOM 0 HG2 ARG A 48 17.772 12.894 -0.431 1.00 1.11 H new ATOM 0 HG3 ARG A 48 18.827 12.504 -1.774 1.00 1.11 H new ATOM 0 HD2 ARG A 48 18.209 14.656 -2.896 1.00 62.22 H new ATOM 0 HD3 ARG A 48 17.132 15.045 -1.570 1.00 62.22 H new ATOM 0 HE ARG A 48 19.954 14.483 -0.889 1.00 72.11 H new ATOM 0 HH11 ARG A 48 17.701 17.145 -1.594 1.00 54.22 H new ATOM 0 HH12 ARG A 48 18.628 18.282 -0.610 1.00 54.22 H new ATOM 0 HH21 ARG A 48 20.995 15.865 0.416 1.00 44.31 H new ATOM 0 HH22 ARG A 48 20.495 17.556 0.528 1.00 44.31 H new ATOM 752 N TYR A 49 15.217 9.423 -1.424 1.00 50.21 N ATOM 753 CA TYR A 49 13.914 8.827 -1.186 1.00 4.05 C ATOM 754 C TYR A 49 12.974 9.846 -0.553 1.00 12.04 C ATOM 755 O TYR A 49 13.388 10.852 0.033 1.00 75.03 O ATOM 756 CB TYR A 49 14.047 7.581 -0.300 1.00 33.34 C ATOM 757 CG TYR A 49 14.945 6.498 -0.865 1.00 4.33 C ATOM 758 CD1 TYR A 49 14.658 5.920 -2.115 1.00 65.25 C ATOM 759 CD2 TYR A 49 16.093 6.098 -0.159 1.00 12.54 C ATOM 760 CE1 TYR A 49 15.551 5.001 -2.700 1.00 54.45 C ATOM 761 CE2 TYR A 49 16.957 5.142 -0.712 1.00 41.15 C ATOM 762 CZ TYR A 49 16.696 4.594 -1.985 1.00 3.41 C ATOM 763 OH TYR A 49 17.563 3.700 -2.531 1.00 22.22 O ATOM 0 H TYR A 49 15.974 9.023 -0.870 1.00 50.21 H new ATOM 0 HA TYR A 49 13.491 8.519 -2.142 1.00 4.05 H new ATOM 0 HB2 TYR A 49 14.433 7.883 0.674 1.00 33.34 H new ATOM 0 HB3 TYR A 49 13.055 7.162 -0.134 1.00 33.34 H new ATOM 0 HD1 TYR A 49 13.746 6.183 -2.630 1.00 65.25 H new ATOM 0 HD2 TYR A 49 16.309 6.527 0.808 1.00 12.54 H new ATOM 0 HE1 TYR A 49 15.360 4.611 -3.689 1.00 54.45 H new ATOM 0 HE2 TYR A 49 17.828 4.823 -0.159 1.00 41.15 H new ATOM 0 HH TYR A 49 18.297 3.531 -1.904 1.00 22.22 H new ATOM 773 N SER A 50 11.689 9.555 -0.653 1.00 64.34 N ATOM 774 CA SER A 50 10.620 10.150 0.119 1.00 2.41 C ATOM 775 C SER A 50 10.461 9.428 1.458 1.00 35.33 C ATOM 776 O SER A 50 10.870 8.272 1.593 1.00 74.05 O ATOM 777 CB SER A 50 9.346 9.984 -0.700 1.00 53.12 C ATOM 778 OG SER A 50 9.508 10.620 -1.952 1.00 63.04 O ATOM 0 H SER A 50 11.348 8.857 -1.314 1.00 64.34 H new ATOM 0 HA SER A 50 10.833 11.199 0.326 1.00 2.41 H new ATOM 0 HB2 SER A 50 9.127 8.926 -0.843 1.00 53.12 H new ATOM 0 HB3 SER A 50 8.499 10.416 -0.167 1.00 53.12 H new ATOM 0 HG SER A 50 9.513 9.946 -2.663 1.00 63.04 H new ATOM 784 N PRO A 51 9.801 10.053 2.446 1.00 40.13 N ATOM 785 CA PRO A 51 9.482 9.397 3.705 1.00 24.20 C ATOM 786 C PRO A 51 8.308 8.414 3.586 1.00 31.53 C ATOM 787 O PRO A 51 8.132 7.570 4.462 1.00 24.24 O ATOM 788 CB PRO A 51 9.141 10.531 4.672 1.00 23.42 C ATOM 789 CG PRO A 51 8.584 11.614 3.753 1.00 25.15 C ATOM 790 CD PRO A 51 9.389 11.448 2.471 1.00 44.14 C ATOM 0 HA PRO A 51 10.323 8.792 4.045 1.00 24.20 H new ATOM 0 HB2 PRO A 51 8.409 10.219 5.417 1.00 23.42 H new ATOM 0 HB3 PRO A 51 10.021 10.876 5.215 1.00 23.42 H new ATOM 0 HG2 PRO A 51 7.517 11.479 3.576 1.00 25.15 H new ATOM 0 HG3 PRO A 51 8.713 12.608 4.181 1.00 25.15 H new ATOM 0 HD2 PRO A 51 8.788 11.695 1.596 1.00 44.14 H new ATOM 0 HD3 PRO A 51 10.253 12.112 2.462 1.00 44.14 H new ATOM 798 N TYR A 52 7.488 8.507 2.538 1.00 44.32 N ATOM 799 CA TYR A 52 6.139 7.952 2.532 1.00 54.01 C ATOM 800 C TYR A 52 6.080 6.455 2.239 1.00 33.43 C ATOM 801 O TYR A 52 4.996 5.938 1.987 1.00 20.03 O ATOM 802 CB TYR A 52 5.280 8.742 1.529 1.00 22.33 C ATOM 803 CG TYR A 52 5.253 10.232 1.798 1.00 2.15 C ATOM 804 CD1 TYR A 52 4.890 10.701 3.072 1.00 3.13 C ATOM 805 CD2 TYR A 52 5.585 11.154 0.788 1.00 24.45 C ATOM 806 CE1 TYR A 52 4.925 12.066 3.365 1.00 2.23 C ATOM 807 CE2 TYR A 52 5.621 12.528 1.079 1.00 53.11 C ATOM 808 CZ TYR A 52 5.370 12.984 2.396 1.00 12.14 C ATOM 809 OH TYR A 52 5.470 14.307 2.702 1.00 23.01 O ATOM 0 H TYR A 52 7.745 8.972 1.667 1.00 44.32 H new ATOM 0 HA TYR A 52 5.744 8.056 3.543 1.00 54.01 H new ATOM 0 HB2 TYR A 52 5.660 8.570 0.522 1.00 22.33 H new ATOM 0 HB3 TYR A 52 4.260 8.358 1.555 1.00 22.33 H new ATOM 0 HD1 TYR A 52 4.581 9.999 3.832 1.00 3.13 H new ATOM 0 HD2 TYR A 52 5.812 10.806 -0.209 1.00 24.45 H new ATOM 0 HE1 TYR A 52 4.610 12.417 4.336 1.00 2.23 H new ATOM 0 HE2 TYR A 52 5.841 13.239 0.296 1.00 53.11 H new ATOM 0 HH TYR A 52 5.794 14.800 1.919 1.00 23.01 H new ATOM 819 N LEU A 53 7.211 5.757 2.192 1.00 53.32 N ATOM 820 CA LEU A 53 7.330 4.448 1.575 1.00 23.21 C ATOM 821 C LEU A 53 8.571 3.797 2.171 1.00 42.25 C ATOM 822 O LEU A 53 9.664 4.322 1.977 1.00 51.12 O ATOM 823 CB LEU A 53 7.475 4.664 0.055 1.00 62.20 C ATOM 824 CG LEU A 53 6.167 4.373 -0.711 1.00 63.30 C ATOM 825 CD1 LEU A 53 6.176 5.130 -2.044 1.00 14.41 C ATOM 826 CD2 LEU A 53 6.060 2.867 -0.967 1.00 14.43 C ATOM 0 H LEU A 53 8.086 6.096 2.591 1.00 53.32 H new ATOM 0 HA LEU A 53 6.466 3.807 1.752 1.00 23.21 H new ATOM 0 HB2 LEU A 53 7.782 5.692 -0.135 1.00 62.20 H new ATOM 0 HB3 LEU A 53 8.267 4.019 -0.326 1.00 62.20 H new ATOM 0 HG LEU A 53 5.312 4.702 -0.121 1.00 63.30 H new ATOM 0 HD11 LEU A 53 5.252 4.925 -2.585 1.00 14.41 H new ATOM 0 HD12 LEU A 53 6.255 6.200 -1.854 1.00 14.41 H new ATOM 0 HD13 LEU A 53 7.027 4.804 -2.642 1.00 14.41 H new ATOM 0 HD21 LEU A 53 5.138 2.655 -1.508 1.00 14.43 H new ATOM 0 HD22 LEU A 53 6.913 2.537 -1.560 1.00 14.43 H new ATOM 0 HD23 LEU A 53 6.053 2.336 -0.015 1.00 14.43 H new ATOM 838 N LYS A 54 8.418 2.710 2.935 1.00 20.52 N ATOM 839 CA LYS A 54 9.543 1.976 3.522 1.00 3.22 C ATOM 840 C LYS A 54 9.244 0.483 3.591 1.00 75.21 C ATOM 841 O LYS A 54 8.072 0.106 3.630 1.00 34.33 O ATOM 842 CB LYS A 54 9.875 2.504 4.933 1.00 25.05 C ATOM 843 CG LYS A 54 10.696 3.796 4.849 1.00 33.01 C ATOM 844 CD LYS A 54 11.537 4.080 6.095 1.00 11.52 C ATOM 845 CE LYS A 54 10.702 4.396 7.345 1.00 71.11 C ATOM 846 NZ LYS A 54 11.182 5.626 8.005 1.00 42.34 N ATOM 0 H LYS A 54 7.507 2.314 3.164 1.00 20.52 H new ATOM 0 HA LYS A 54 10.407 2.134 2.876 1.00 3.22 H new ATOM 0 HB2 LYS A 54 8.953 2.689 5.484 1.00 25.05 H new ATOM 0 HB3 LYS A 54 10.432 1.749 5.488 1.00 25.05 H new ATOM 0 HG2 LYS A 54 11.355 3.740 3.983 1.00 33.01 H new ATOM 0 HG3 LYS A 54 10.020 4.634 4.681 1.00 33.01 H new ATOM 0 HD2 LYS A 54 12.169 3.216 6.300 1.00 11.52 H new ATOM 0 HD3 LYS A 54 12.201 4.920 5.891 1.00 11.52 H new ATOM 0 HE2 LYS A 54 9.655 4.513 7.067 1.00 71.11 H new ATOM 0 HE3 LYS A 54 10.755 3.560 8.043 1.00 71.11 H new ATOM 0 HZ1 LYS A 54 10.602 5.818 8.846 1.00 42.34 H new ATOM 0 HZ2 LYS A 54 12.175 5.502 8.290 1.00 42.34 H new ATOM 0 HZ3 LYS A 54 11.108 6.426 7.344 1.00 42.34 H new ATOM 860 N PRO A 55 10.274 -0.377 3.632 1.00 13.12 N ATOM 861 CA PRO A 55 10.108 -1.813 3.816 1.00 45.52 C ATOM 862 C PRO A 55 9.644 -2.144 5.240 1.00 32.42 C ATOM 863 O PRO A 55 9.590 -1.287 6.128 1.00 23.02 O ATOM 864 CB PRO A 55 11.489 -2.404 3.512 1.00 63.11 C ATOM 865 CG PRO A 55 12.439 -1.289 3.943 1.00 23.03 C ATOM 866 CD PRO A 55 11.686 -0.039 3.505 1.00 71.41 C ATOM 0 HA PRO A 55 9.339 -2.228 3.164 1.00 45.52 H new ATOM 0 HB2 PRO A 55 11.666 -3.324 4.069 1.00 63.11 H new ATOM 0 HB3 PRO A 55 11.602 -2.645 2.455 1.00 63.11 H new ATOM 0 HG2 PRO A 55 12.619 -1.300 5.018 1.00 23.03 H new ATOM 0 HG3 PRO A 55 13.411 -1.371 3.456 1.00 23.03 H new ATOM 0 HD2 PRO A 55 11.944 0.815 4.131 1.00 71.41 H new ATOM 0 HD3 PRO A 55 11.935 0.231 2.479 1.00 71.41 H new ATOM 874 N ARG A 56 9.336 -3.419 5.469 1.00 73.44 N ATOM 875 CA ARG A 56 9.043 -4.023 6.766 1.00 1.13 C ATOM 876 C ARG A 56 9.712 -5.402 6.808 1.00 24.13 C ATOM 877 O ARG A 56 10.487 -5.742 5.917 1.00 1.12 O ATOM 878 CB ARG A 56 7.514 -4.081 6.962 1.00 24.32 C ATOM 879 CG ARG A 56 6.955 -2.820 7.647 1.00 44.44 C ATOM 880 CD ARG A 56 5.686 -3.207 8.413 1.00 5.13 C ATOM 881 NE ARG A 56 4.944 -2.068 8.977 1.00 11.11 N ATOM 882 CZ ARG A 56 3.979 -2.177 9.901 1.00 31.24 C ATOM 883 NH1 ARG A 56 3.593 -3.376 10.329 1.00 21.32 N ATOM 884 NH2 ARG A 56 3.396 -1.086 10.379 1.00 4.12 N ATOM 0 H ARG A 56 9.281 -4.097 4.709 1.00 73.44 H new ATOM 0 HA ARG A 56 9.442 -3.434 7.592 1.00 1.13 H new ATOM 0 HB2 ARG A 56 7.032 -4.207 5.993 1.00 24.32 H new ATOM 0 HB3 ARG A 56 7.261 -4.957 7.560 1.00 24.32 H new ATOM 0 HG2 ARG A 56 7.695 -2.399 8.328 1.00 44.44 H new ATOM 0 HG3 ARG A 56 6.731 -2.053 6.905 1.00 44.44 H new ATOM 0 HD2 ARG A 56 5.026 -3.759 7.743 1.00 5.13 H new ATOM 0 HD3 ARG A 56 5.958 -3.885 9.223 1.00 5.13 H new ATOM 0 HE ARG A 56 5.180 -1.134 8.643 1.00 11.11 H new ATOM 0 HH11 ARG A 56 4.032 -4.217 9.954 1.00 21.32 H new ATOM 0 HH12 ARG A 56 2.858 -3.454 11.032 1.00 21.32 H new ATOM 0 HH21 ARG A 56 3.682 -0.166 10.043 1.00 4.12 H new ATOM 0 HH22 ARG A 56 2.661 -1.167 11.082 1.00 4.12 H new ATOM 898 N VAL A 57 9.443 -6.205 7.836 1.00 23.23 N ATOM 899 CA VAL A 57 9.594 -7.652 7.783 1.00 74.50 C ATOM 900 C VAL A 57 8.386 -8.265 8.487 1.00 11.13 C ATOM 901 O VAL A 57 8.228 -8.078 9.695 1.00 52.12 O ATOM 902 CB VAL A 57 10.933 -8.132 8.382 1.00 13.10 C ATOM 903 CG1 VAL A 57 11.019 -9.665 8.321 1.00 32.12 C ATOM 904 CG2 VAL A 57 12.158 -7.530 7.675 1.00 43.44 C ATOM 0 H VAL A 57 9.111 -5.862 8.737 1.00 23.23 H new ATOM 0 HA VAL A 57 9.626 -7.982 6.745 1.00 74.50 H new ATOM 0 HB VAL A 57 10.950 -7.788 9.416 1.00 13.10 H new ATOM 0 HG11 VAL A 57 11.967 -9.993 8.746 1.00 32.12 H new ATOM 0 HG12 VAL A 57 10.197 -10.098 8.890 1.00 32.12 H new ATOM 0 HG13 VAL A 57 10.954 -9.992 7.283 1.00 32.12 H new ATOM 0 HG21 VAL A 57 13.069 -7.906 8.142 1.00 43.44 H new ATOM 0 HG22 VAL A 57 12.146 -7.813 6.622 1.00 43.44 H new ATOM 0 HG23 VAL A 57 12.129 -6.444 7.759 1.00 43.44 H new ATOM 914 N ILE A 58 7.538 -8.974 7.738 1.00 2.23 N ATOM 915 CA ILE A 58 6.342 -9.647 8.239 1.00 42.24 C ATOM 916 C ILE A 58 6.518 -11.110 7.869 1.00 71.04 C ATOM 917 O ILE A 58 6.553 -11.425 6.681 1.00 32.22 O ATOM 918 CB ILE A 58 5.048 -9.073 7.608 1.00 53.52 C ATOM 919 CG1 ILE A 58 4.943 -7.535 7.661 1.00 22.32 C ATOM 920 CG2 ILE A 58 3.814 -9.738 8.238 1.00 74.43 C ATOM 921 CD1 ILE A 58 4.806 -6.966 9.069 1.00 72.24 C ATOM 0 H ILE A 58 7.671 -9.098 6.734 1.00 2.23 H new ATOM 0 HA ILE A 58 6.234 -9.504 9.314 1.00 42.24 H new ATOM 0 HB ILE A 58 5.093 -9.315 6.546 1.00 53.52 H new ATOM 0 HG12 ILE A 58 5.828 -7.105 7.192 1.00 22.32 H new ATOM 0 HG13 ILE A 58 4.084 -7.220 7.069 1.00 22.32 H new ATOM 0 HG21 ILE A 58 2.910 -9.328 7.788 1.00 74.43 H new ATOM 0 HG22 ILE A 58 3.851 -10.813 8.063 1.00 74.43 H new ATOM 0 HG23 ILE A 58 3.805 -9.545 9.311 1.00 74.43 H new ATOM 0 HD11 ILE A 58 4.738 -5.879 9.017 1.00 72.24 H new ATOM 0 HD12 ILE A 58 3.905 -7.364 9.536 1.00 72.24 H new ATOM 0 HD13 ILE A 58 5.677 -7.247 9.661 1.00 72.24 H new ATOM 933 N GLU A 59 6.688 -12.010 8.839 1.00 45.24 N ATOM 934 CA GLU A 59 6.738 -13.457 8.570 1.00 63.24 C ATOM 935 C GLU A 59 7.884 -13.819 7.602 1.00 32.13 C ATOM 936 O GLU A 59 7.867 -14.852 6.930 1.00 62.51 O ATOM 937 CB GLU A 59 5.342 -13.938 8.123 1.00 13.00 C ATOM 938 CG GLU A 59 4.293 -13.745 9.231 1.00 41.14 C ATOM 939 CD GLU A 59 2.857 -13.746 8.714 1.00 4.33 C ATOM 940 OE1 GLU A 59 2.551 -14.454 7.736 1.00 53.32 O ATOM 941 OE2 GLU A 59 2.010 -13.031 9.310 1.00 24.54 O ATOM 0 H GLU A 59 6.794 -11.766 9.824 1.00 45.24 H new ATOM 0 HA GLU A 59 6.982 -14.000 9.483 1.00 63.24 H new ATOM 0 HB2 GLU A 59 5.036 -13.389 7.232 1.00 13.00 H new ATOM 0 HB3 GLU A 59 5.391 -14.991 7.847 1.00 13.00 H new ATOM 0 HG2 GLU A 59 4.406 -14.538 9.970 1.00 41.14 H new ATOM 0 HG3 GLU A 59 4.486 -12.803 9.743 1.00 41.14 H new ATOM 948 N GLY A 60 8.894 -12.948 7.524 1.00 75.22 N ATOM 949 CA GLY A 60 10.056 -13.054 6.658 1.00 60.31 C ATOM 950 C GLY A 60 9.919 -12.299 5.333 1.00 22.34 C ATOM 951 O GLY A 60 10.947 -12.059 4.696 1.00 70.53 O ATOM 0 H GLY A 60 8.917 -12.105 8.098 1.00 75.22 H new ATOM 0 HA2 GLY A 60 10.929 -12.676 7.191 1.00 60.31 H new ATOM 0 HA3 GLY A 60 10.243 -14.107 6.446 1.00 60.31 H new ATOM 955 N VAL A 61 8.724 -11.866 4.923 1.00 75.14 N ATOM 956 CA VAL A 61 8.538 -11.118 3.683 1.00 1.00 C ATOM 957 C VAL A 61 9.230 -9.754 3.809 1.00 13.34 C ATOM 958 O VAL A 61 9.544 -9.302 4.914 1.00 71.24 O ATOM 959 CB VAL A 61 7.037 -11.053 3.328 1.00 1.40 C ATOM 960 CG1 VAL A 61 6.284 -9.919 3.993 1.00 11.25 C ATOM 961 CG2 VAL A 61 6.753 -10.961 1.827 1.00 60.24 C ATOM 0 H VAL A 61 7.861 -12.025 5.443 1.00 75.14 H new ATOM 0 HA VAL A 61 9.012 -11.621 2.840 1.00 1.00 H new ATOM 0 HB VAL A 61 6.677 -12.006 3.716 1.00 1.40 H new ATOM 0 HG11 VAL A 61 5.238 -9.949 3.688 1.00 11.25 H new ATOM 0 HG12 VAL A 61 6.350 -10.024 5.076 1.00 11.25 H new ATOM 0 HG13 VAL A 61 6.722 -8.967 3.694 1.00 11.25 H new ATOM 0 HG21 VAL A 61 5.676 -10.919 1.662 1.00 60.24 H new ATOM 0 HG22 VAL A 61 7.217 -10.061 1.423 1.00 60.24 H new ATOM 0 HG23 VAL A 61 7.163 -11.837 1.325 1.00 60.24 H new ATOM 971 N ARG A 62 9.475 -9.076 2.691 1.00 42.44 N ATOM 972 CA ARG A 62 9.941 -7.684 2.695 1.00 32.41 C ATOM 973 C ARG A 62 8.787 -6.707 2.945 1.00 73.20 C ATOM 974 O ARG A 62 8.984 -5.684 3.593 1.00 43.10 O ATOM 975 CB ARG A 62 10.605 -7.361 1.353 1.00 23.53 C ATOM 976 CG ARG A 62 11.908 -8.106 1.031 1.00 50.25 C ATOM 977 CD ARG A 62 13.152 -7.386 1.544 1.00 50.35 C ATOM 978 NE ARG A 62 13.340 -7.580 2.986 1.00 55.21 N ATOM 979 CZ ARG A 62 14.378 -7.119 3.692 1.00 52.40 C ATOM 980 NH1 ARG A 62 15.171 -6.174 3.198 1.00 74.14 N ATOM 981 NH2 ARG A 62 14.608 -7.623 4.897 1.00 51.20 N ATOM 0 H ARG A 62 9.358 -9.470 1.758 1.00 42.44 H new ATOM 0 HA ARG A 62 10.662 -7.571 3.505 1.00 32.41 H new ATOM 0 HB2 ARG A 62 9.888 -7.571 0.559 1.00 23.53 H new ATOM 0 HB3 ARG A 62 10.809 -6.291 1.323 1.00 23.53 H new ATOM 0 HG2 ARG A 62 11.867 -9.104 1.468 1.00 50.25 H new ATOM 0 HG3 ARG A 62 11.989 -8.234 -0.048 1.00 50.25 H new ATOM 0 HD2 ARG A 62 14.029 -7.752 1.011 1.00 50.35 H new ATOM 0 HD3 ARG A 62 13.070 -6.321 1.329 1.00 50.35 H new ATOM 0 HE ARG A 62 12.625 -8.106 3.488 1.00 55.21 H new ATOM 0 HH11 ARG A 62 14.991 -5.791 2.270 1.00 74.14 H new ATOM 0 HH12 ARG A 62 15.959 -5.831 3.747 1.00 74.14 H new ATOM 0 HH21 ARG A 62 13.998 -8.350 5.271 1.00 51.20 H new ATOM 0 HH22 ARG A 62 15.395 -7.284 5.450 1.00 51.20 H new ATOM 995 N CYS A 63 7.579 -7.011 2.451 1.00 61.21 N ATOM 996 CA CYS A 63 6.432 -6.097 2.434 1.00 52.35 C ATOM 997 C CYS A 63 6.798 -4.750 1.782 1.00 62.02 C ATOM 998 O CYS A 63 7.878 -4.594 1.206 1.00 14.11 O ATOM 999 CB CYS A 63 5.885 -5.961 3.871 1.00 3.00 C ATOM 1000 SG CYS A 63 4.530 -7.109 4.178 1.00 25.44 S ATOM 0 H CYS A 63 7.369 -7.922 2.043 1.00 61.21 H new ATOM 0 HA CYS A 63 5.635 -6.504 1.812 1.00 52.35 H new ATOM 0 HB2 CYS A 63 6.688 -6.146 4.585 1.00 3.00 H new ATOM 0 HB3 CYS A 63 5.541 -4.940 4.035 1.00 3.00 H new ATOM 0 HG CYS A 63 3.751 -6.624 5.099 1.00 25.44 H new ATOM 1006 N LEU A 64 5.867 -3.803 1.797 1.00 61.04 N ATOM 1007 CA LEU A 64 6.088 -2.374 1.684 1.00 51.21 C ATOM 1008 C LEU A 64 5.037 -1.744 2.591 1.00 62.35 C ATOM 1009 O LEU A 64 3.887 -2.187 2.582 1.00 22.43 O ATOM 1010 CB LEU A 64 5.884 -1.908 0.231 1.00 63.20 C ATOM 1011 CG LEU A 64 7.104 -1.246 -0.424 1.00 33.41 C ATOM 1012 CD1 LEU A 64 6.690 -0.667 -1.768 1.00 73.41 C ATOM 1013 CD2 LEU A 64 7.796 -0.155 0.402 1.00 0.02 C ATOM 0 H LEU A 64 4.878 -4.031 1.895 1.00 61.04 H new ATOM 0 HA LEU A 64 7.103 -2.094 1.966 1.00 51.21 H new ATOM 0 HB2 LEU A 64 5.591 -2.768 -0.371 1.00 63.20 H new ATOM 0 HB3 LEU A 64 5.052 -1.204 0.206 1.00 63.20 H new ATOM 0 HG LEU A 64 7.844 -2.040 -0.522 1.00 33.41 H new ATOM 0 HD11 LEU A 64 7.551 -0.194 -2.241 1.00 73.41 H new ATOM 0 HD12 LEU A 64 6.317 -1.466 -2.409 1.00 73.41 H new ATOM 0 HD13 LEU A 64 5.905 0.075 -1.619 1.00 73.41 H new ATOM 0 HD21 LEU A 64 8.643 0.242 -0.157 1.00 0.02 H new ATOM 0 HD22 LEU A 64 7.089 0.648 0.609 1.00 0.02 H new ATOM 0 HD23 LEU A 64 8.149 -0.579 1.342 1.00 0.02 H new ATOM 1025 N ALA A 65 5.408 -0.784 3.427 1.00 32.12 N ATOM 1026 CA ALA A 65 4.462 0.128 4.062 1.00 33.44 C ATOM 1027 C ALA A 65 4.121 1.222 3.036 1.00 52.45 C ATOM 1028 O ALA A 65 4.849 1.371 2.050 1.00 42.31 O ATOM 1029 CB ALA A 65 5.147 0.767 5.271 1.00 1.10 C ATOM 0 H ALA A 65 6.380 -0.614 3.686 1.00 32.12 H new ATOM 0 HA ALA A 65 3.560 -0.392 4.384 1.00 33.44 H new ATOM 0 HB1 ALA A 65 4.456 1.453 5.760 1.00 1.10 H new ATOM 0 HB2 ALA A 65 5.444 -0.011 5.974 1.00 1.10 H new ATOM 0 HB3 ALA A 65 6.030 1.315 4.942 1.00 1.10 H new ATOM 1035 N VAL A 66 3.127 2.074 3.293 1.00 1.44 N ATOM 1036 CA VAL A 66 3.059 3.375 2.625 1.00 72.24 C ATOM 1037 C VAL A 66 2.510 4.342 3.691 1.00 24.13 C ATOM 1038 O VAL A 66 1.774 3.904 4.572 1.00 12.35 O ATOM 1039 CB VAL A 66 2.142 3.286 1.379 1.00 4.30 C ATOM 1040 CG1 VAL A 66 0.682 3.546 1.665 1.00 51.24 C ATOM 1041 CG2 VAL A 66 2.567 4.155 0.192 1.00 4.14 C ATOM 0 H VAL A 66 2.368 1.891 3.949 1.00 1.44 H new ATOM 0 HA VAL A 66 4.026 3.716 2.256 1.00 72.24 H new ATOM 0 HB VAL A 66 2.270 2.242 1.093 1.00 4.30 H new ATOM 0 HG11 VAL A 66 0.110 3.464 0.741 1.00 51.24 H new ATOM 0 HG12 VAL A 66 0.316 2.813 2.384 1.00 51.24 H new ATOM 0 HG13 VAL A 66 0.565 4.548 2.077 1.00 51.24 H new ATOM 0 HG21 VAL A 66 1.861 4.021 -0.628 1.00 4.14 H new ATOM 0 HG22 VAL A 66 2.579 5.202 0.494 1.00 4.14 H new ATOM 0 HG23 VAL A 66 3.564 3.861 -0.136 1.00 4.14 H new ATOM 1051 N ASP A 67 2.781 5.639 3.608 1.00 74.24 N ATOM 1052 CA ASP A 67 2.080 6.675 4.366 1.00 32.34 C ATOM 1053 C ASP A 67 0.971 7.213 3.466 1.00 23.25 C ATOM 1054 O ASP A 67 1.236 7.569 2.312 1.00 55.25 O ATOM 1055 CB ASP A 67 3.059 7.795 4.744 1.00 64.11 C ATOM 1056 CG ASP A 67 2.458 8.897 5.626 1.00 12.21 C ATOM 1057 OD1 ASP A 67 1.225 8.927 5.826 1.00 52.11 O ATOM 1058 OD2 ASP A 67 3.226 9.773 6.086 1.00 73.12 O ATOM 0 H ASP A 67 3.510 6.011 2.999 1.00 74.24 H new ATOM 0 HA ASP A 67 1.662 6.274 5.289 1.00 32.34 H new ATOM 0 HB2 ASP A 67 3.910 7.356 5.264 1.00 64.11 H new ATOM 0 HB3 ASP A 67 3.443 8.248 3.830 1.00 64.11 H new ATOM 1063 N LEU A 68 -0.274 7.253 3.948 1.00 12.01 N ATOM 1064 CA LEU A 68 -1.395 7.818 3.204 1.00 41.22 C ATOM 1065 C LEU A 68 -1.264 9.336 2.989 1.00 75.12 C ATOM 1066 O LEU A 68 -2.025 9.904 2.217 1.00 45.11 O ATOM 1067 CB LEU A 68 -2.743 7.418 3.833 1.00 30.01 C ATOM 1068 CG LEU A 68 -3.539 6.475 2.922 1.00 50.42 C ATOM 1069 CD1 LEU A 68 -4.741 5.874 3.657 1.00 62.31 C ATOM 1070 CD2 LEU A 68 -4.031 7.175 1.647 1.00 44.34 C ATOM 0 H LEU A 68 -0.530 6.893 4.867 1.00 12.01 H new ATOM 0 HA LEU A 68 -1.367 7.382 2.205 1.00 41.22 H new ATOM 0 HB2 LEU A 68 -2.566 6.933 4.793 1.00 30.01 H new ATOM 0 HB3 LEU A 68 -3.331 8.314 4.032 1.00 30.01 H new ATOM 0 HG LEU A 68 -2.851 5.679 2.636 1.00 50.42 H new ATOM 0 HD11 LEU A 68 -5.284 5.210 2.984 1.00 62.31 H new ATOM 0 HD12 LEU A 68 -4.393 5.309 4.522 1.00 62.31 H new ATOM 0 HD13 LEU A 68 -5.402 6.675 3.989 1.00 62.31 H new ATOM 0 HD21 LEU A 68 -4.589 6.466 1.035 1.00 44.34 H new ATOM 0 HD22 LEU A 68 -4.678 8.010 1.917 1.00 44.34 H new ATOM 0 HD23 LEU A 68 -3.176 7.547 1.083 1.00 44.34 H new ATOM 1082 N LYS A 69 -0.277 10.012 3.586 1.00 23.44 N ATOM 1083 CA LYS A 69 -0.027 11.433 3.344 1.00 43.20 C ATOM 1084 C LYS A 69 0.317 11.668 1.871 1.00 11.03 C ATOM 1085 O LYS A 69 -0.147 12.655 1.319 1.00 71.44 O ATOM 1086 CB LYS A 69 1.036 11.973 4.332 1.00 30.34 C ATOM 1087 CG LYS A 69 0.925 13.481 4.651 1.00 63.05 C ATOM 1088 CD LYS A 69 1.465 14.389 3.541 1.00 51.33 C ATOM 1089 CE LYS A 69 0.587 15.604 3.236 1.00 40.25 C ATOM 1090 NZ LYS A 69 0.983 16.790 4.010 1.00 20.23 N ATOM 0 H LYS A 69 0.370 9.588 4.250 1.00 23.44 H new ATOM 0 HA LYS A 69 -0.933 12.007 3.538 1.00 43.20 H new ATOM 0 HB2 LYS A 69 0.961 11.413 5.264 1.00 30.34 H new ATOM 0 HB3 LYS A 69 2.026 11.776 3.921 1.00 30.34 H new ATOM 0 HG2 LYS A 69 -0.121 13.728 4.833 1.00 63.05 H new ATOM 0 HG3 LYS A 69 1.467 13.689 5.573 1.00 63.05 H new ATOM 0 HD2 LYS A 69 2.459 14.736 3.823 1.00 51.33 H new ATOM 0 HD3 LYS A 69 1.579 13.801 2.630 1.00 51.33 H new ATOM 0 HE2 LYS A 69 0.644 15.832 2.172 1.00 40.25 H new ATOM 0 HE3 LYS A 69 -0.453 15.361 3.454 1.00 40.25 H new ATOM 0 HZ1 LYS A 69 0.359 17.586 3.769 1.00 20.23 H new ATOM 0 HZ2 LYS A 69 0.904 16.584 5.026 1.00 20.23 H new ATOM 0 HZ3 LYS A 69 1.967 17.040 3.783 1.00 20.23 H new ATOM 1104 N LEU A 70 1.075 10.790 1.205 1.00 74.44 N ATOM 1105 CA LEU A 70 1.438 10.936 -0.217 1.00 11.13 C ATOM 1106 C LEU A 70 0.187 11.184 -1.100 1.00 40.44 C ATOM 1107 O LEU A 70 0.235 11.941 -2.064 1.00 4.32 O ATOM 1108 CB LEU A 70 2.284 9.704 -0.612 1.00 2.11 C ATOM 1109 CG LEU A 70 2.576 9.452 -2.108 1.00 42.10 C ATOM 1110 CD1 LEU A 70 3.954 10.075 -2.458 1.00 24.10 C ATOM 1111 CD2 LEU A 70 2.677 7.949 -2.403 1.00 22.13 C ATOM 0 H LEU A 70 1.459 9.950 1.637 1.00 74.44 H new ATOM 0 HA LEU A 70 2.048 11.824 -0.385 1.00 11.13 H new ATOM 0 HB2 LEU A 70 3.242 9.782 -0.097 1.00 2.11 H new ATOM 0 HB3 LEU A 70 1.782 8.819 -0.220 1.00 2.11 H new ATOM 0 HG LEU A 70 1.766 9.891 -2.691 1.00 42.10 H new ATOM 0 HD11 LEU A 70 4.173 9.904 -3.512 1.00 24.10 H new ATOM 0 HD12 LEU A 70 3.929 11.147 -2.261 1.00 24.10 H new ATOM 0 HD13 LEU A 70 4.729 9.612 -1.847 1.00 24.10 H new ATOM 0 HD21 LEU A 70 2.883 7.799 -3.463 1.00 22.13 H new ATOM 0 HD22 LEU A 70 3.484 7.516 -1.812 1.00 22.13 H new ATOM 0 HD23 LEU A 70 1.736 7.463 -2.144 1.00 22.13 H new ATOM 1123 N LYS A 71 -0.980 10.645 -0.749 1.00 12.20 N ATOM 1124 CA LYS A 71 -2.248 10.834 -1.471 1.00 22.25 C ATOM 1125 C LYS A 71 -2.717 12.285 -1.461 1.00 33.24 C ATOM 1126 O LYS A 71 -3.416 12.685 -2.387 1.00 13.25 O ATOM 1127 CB LYS A 71 -3.272 9.911 -0.785 1.00 71.33 C ATOM 1128 CG LYS A 71 -4.726 9.924 -1.247 1.00 45.11 C ATOM 1129 CD LYS A 71 -4.907 9.415 -2.675 1.00 22.53 C ATOM 1130 CE LYS A 71 -6.328 8.896 -2.950 1.00 22.43 C ATOM 1131 NZ LYS A 71 -7.409 9.661 -2.294 1.00 63.23 N ATOM 0 H LYS A 71 -1.077 10.045 0.070 1.00 12.20 H new ATOM 0 HA LYS A 71 -2.124 10.584 -2.525 1.00 22.25 H new ATOM 0 HB2 LYS A 71 -2.907 8.889 -0.884 1.00 71.33 H new ATOM 0 HB3 LYS A 71 -3.265 10.150 0.278 1.00 71.33 H new ATOM 0 HG2 LYS A 71 -5.321 9.310 -0.571 1.00 45.11 H new ATOM 0 HG3 LYS A 71 -5.113 10.941 -1.178 1.00 45.11 H new ATOM 0 HD2 LYS A 71 -4.678 10.220 -3.374 1.00 22.53 H new ATOM 0 HD3 LYS A 71 -4.191 8.615 -2.864 1.00 22.53 H new ATOM 0 HE2 LYS A 71 -6.500 8.903 -4.026 1.00 22.43 H new ATOM 0 HE3 LYS A 71 -6.389 7.858 -2.625 1.00 22.43 H new ATOM 0 HZ1 LYS A 71 -8.331 9.327 -2.641 1.00 63.23 H new ATOM 0 HZ2 LYS A 71 -7.356 9.524 -1.264 1.00 63.23 H new ATOM 0 HZ3 LYS A 71 -7.302 10.672 -2.514 1.00 63.23 H new ATOM 1145 N ASP A 72 -2.333 13.089 -0.474 1.00 20.05 N ATOM 1146 CA ASP A 72 -2.633 14.521 -0.414 1.00 21.32 C ATOM 1147 C ASP A 72 -1.992 15.245 -1.591 1.00 44.44 C ATOM 1148 O ASP A 72 -2.608 16.115 -2.215 1.00 24.34 O ATOM 1149 CB ASP A 72 -2.048 15.082 0.882 1.00 12.22 C ATOM 1150 CG ASP A 72 -2.088 16.602 0.968 1.00 41.01 C ATOM 1151 OD1 ASP A 72 -3.145 17.162 1.316 1.00 22.13 O ATOM 1152 OD2 ASP A 72 -0.999 17.222 0.900 1.00 42.03 O ATOM 0 H ASP A 72 -1.792 12.758 0.325 1.00 20.05 H new ATOM 0 HA ASP A 72 -3.713 14.666 -0.451 1.00 21.32 H new ATOM 0 HB2 ASP A 72 -2.596 14.665 1.727 1.00 12.22 H new ATOM 0 HB3 ASP A 72 -1.014 14.749 0.977 1.00 12.22 H new ATOM 1157 N THR A 73 -0.751 14.874 -1.898 1.00 65.24 N ATOM 1158 CA THR A 73 0.150 15.679 -2.703 1.00 43.42 C ATOM 1159 C THR A 73 0.334 15.086 -4.112 1.00 11.12 C ATOM 1160 O THR A 73 0.453 15.851 -5.070 1.00 30.15 O ATOM 1161 CB THR A 73 1.438 15.908 -1.881 1.00 50.25 C ATOM 1162 OG1 THR A 73 2.251 16.922 -2.438 1.00 64.32 O ATOM 1163 CG2 THR A 73 2.287 14.651 -1.785 1.00 51.25 C ATOM 0 H THR A 73 -0.342 13.993 -1.588 1.00 65.24 H new ATOM 0 HA THR A 73 -0.264 16.664 -2.916 1.00 43.42 H new ATOM 0 HB THR A 73 1.094 16.204 -0.890 1.00 50.25 H new ATOM 0 HG1 THR A 73 3.054 17.037 -1.888 1.00 64.32 H new ATOM 0 HG21 THR A 73 3.182 14.860 -1.198 1.00 51.25 H new ATOM 0 HG22 THR A 73 1.713 13.860 -1.302 1.00 51.25 H new ATOM 0 HG23 THR A 73 2.576 14.330 -2.786 1.00 51.25 H new ATOM 1171 N ASN A 74 0.314 13.756 -4.283 1.00 4.32 N ATOM 1172 CA ASN A 74 0.532 13.070 -5.567 1.00 13.45 C ATOM 1173 C ASN A 74 -0.449 11.882 -5.673 1.00 70.41 C ATOM 1174 O ASN A 74 -0.060 10.716 -5.767 1.00 3.35 O ATOM 1175 CB ASN A 74 2.027 12.661 -5.705 1.00 35.54 C ATOM 1176 CG ASN A 74 2.394 11.667 -4.704 1.00 42.51 C ATOM 1177 OD1 ASN A 74 2.626 12.092 -3.589 1.00 2.42 O ATOM 1178 ND2 ASN A 74 2.500 10.408 -5.123 1.00 51.12 N ATOM 0 H ASN A 74 0.141 13.110 -3.513 1.00 4.32 H new ATOM 0 HA ASN A 74 0.324 13.734 -6.406 1.00 13.45 H new ATOM 0 HB2 ASN A 74 2.207 12.260 -6.703 1.00 35.54 H new ATOM 0 HB3 ASN A 74 2.660 13.542 -5.596 1.00 35.54 H new ATOM 0 HD21 ASN A 74 2.806 9.680 -4.478 1.00 51.12 H new ATOM 0 HD22 ASN A 74 2.276 10.172 -6.090 1.00 51.12 H new ATOM 1185 N PRO A 75 -1.766 12.119 -5.716 1.00 42.12 N ATOM 1186 CA PRO A 75 -2.743 11.041 -5.658 1.00 13.11 C ATOM 1187 C PRO A 75 -2.664 10.069 -6.846 1.00 21.02 C ATOM 1188 O PRO A 75 -3.029 8.902 -6.701 1.00 30.22 O ATOM 1189 CB PRO A 75 -4.100 11.759 -5.628 1.00 41.52 C ATOM 1190 CG PRO A 75 -3.818 13.102 -6.299 1.00 53.41 C ATOM 1191 CD PRO A 75 -2.432 13.405 -5.742 1.00 24.22 C ATOM 0 HA PRO A 75 -2.566 10.409 -4.787 1.00 13.11 H new ATOM 0 HB2 PRO A 75 -4.862 11.196 -6.166 1.00 41.52 H new ATOM 0 HB3 PRO A 75 -4.461 11.890 -4.608 1.00 41.52 H new ATOM 0 HG2 PRO A 75 -3.821 13.031 -7.387 1.00 53.41 H new ATOM 0 HG3 PRO A 75 -4.550 13.863 -6.027 1.00 53.41 H new ATOM 0 HD2 PRO A 75 -1.898 14.117 -6.371 1.00 24.22 H new ATOM 0 HD3 PRO A 75 -2.491 13.842 -4.745 1.00 24.22 H new ATOM 1199 N GLU A 76 -2.149 10.505 -7.997 1.00 14.04 N ATOM 1200 CA GLU A 76 -1.910 9.671 -9.171 1.00 62.55 C ATOM 1201 C GLU A 76 -0.859 8.609 -8.860 1.00 13.53 C ATOM 1202 O GLU A 76 -1.031 7.440 -9.196 1.00 11.32 O ATOM 1203 CB GLU A 76 -1.436 10.597 -10.297 1.00 42.05 C ATOM 1204 CG GLU A 76 -1.392 9.942 -11.673 1.00 55.12 C ATOM 1205 CD GLU A 76 -1.418 10.977 -12.805 1.00 25.34 C ATOM 1206 OE1 GLU A 76 -0.866 12.092 -12.669 1.00 13.44 O ATOM 1207 OE2 GLU A 76 -2.031 10.663 -13.850 1.00 44.41 O ATOM 0 H GLU A 76 -1.879 11.478 -8.140 1.00 14.04 H new ATOM 0 HA GLU A 76 -2.819 9.148 -9.469 1.00 62.55 H new ATOM 0 HB2 GLU A 76 -2.096 11.463 -10.341 1.00 42.05 H new ATOM 0 HB3 GLU A 76 -0.440 10.967 -10.052 1.00 42.05 H new ATOM 0 HG2 GLU A 76 -0.490 9.336 -11.757 1.00 55.12 H new ATOM 0 HG3 GLU A 76 -2.241 9.267 -11.780 1.00 55.12 H new ATOM 1214 N GLY A 77 0.197 9.007 -8.150 1.00 11.11 N ATOM 1215 CA GLY A 77 1.194 8.091 -7.622 1.00 62.55 C ATOM 1216 C GLY A 77 0.541 7.048 -6.720 1.00 75.01 C ATOM 1217 O GLY A 77 0.781 5.856 -6.877 1.00 64.21 O ATOM 0 H GLY A 77 0.381 9.985 -7.926 1.00 11.11 H new ATOM 0 HA2 GLY A 77 1.712 7.596 -8.443 1.00 62.55 H new ATOM 0 HA3 GLY A 77 1.945 8.647 -7.060 1.00 62.55 H new ATOM 1221 N PHE A 78 -0.300 7.472 -5.774 1.00 11.51 N ATOM 1222 CA PHE A 78 -0.960 6.529 -4.875 1.00 0.00 C ATOM 1223 C PHE A 78 -1.850 5.540 -5.648 1.00 63.30 C ATOM 1224 O PHE A 78 -1.838 4.345 -5.356 1.00 15.45 O ATOM 1225 CB PHE A 78 -1.744 7.286 -3.807 1.00 43.03 C ATOM 1226 CG PHE A 78 -2.197 6.391 -2.673 1.00 65.21 C ATOM 1227 CD1 PHE A 78 -1.281 6.055 -1.664 1.00 40.22 C ATOM 1228 CD2 PHE A 78 -3.506 5.880 -2.616 1.00 1.21 C ATOM 1229 CE1 PHE A 78 -1.691 5.298 -0.557 1.00 13.11 C ATOM 1230 CE2 PHE A 78 -3.904 5.081 -1.532 1.00 34.30 C ATOM 1231 CZ PHE A 78 -3.000 4.801 -0.493 1.00 64.22 C ATOM 0 H PHE A 78 -0.537 8.451 -5.613 1.00 11.51 H new ATOM 0 HA PHE A 78 -0.196 5.933 -4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.124 8.088 -3.406 1.00 43.03 H new ATOM 0 HB3 PHE A 78 -2.615 7.755 -4.265 1.00 43.03 H new ATOM 0 HD1 PHE A 78 -0.254 6.381 -1.741 1.00 40.22 H new ATOM 0 HD2 PHE A 78 -4.206 6.103 -3.407 1.00 1.21 H new ATOM 0 HE1 PHE A 78 -0.998 5.098 0.247 1.00 13.11 H new ATOM 0 HE2 PHE A 78 -4.907 4.681 -1.497 1.00 34.30 H new ATOM 0 HZ PHE A 78 -3.313 4.205 0.352 1.00 64.22 H new ATOM 1241 N ASN A 79 -2.574 6.022 -6.663 1.00 71.30 N ATOM 1242 CA ASN A 79 -3.420 5.216 -7.548 1.00 5.21 C ATOM 1243 C ASN A 79 -2.578 4.161 -8.263 1.00 52.34 C ATOM 1244 O ASN A 79 -2.913 2.977 -8.243 1.00 53.00 O ATOM 1245 CB ASN A 79 -4.153 6.122 -8.559 1.00 21.10 C ATOM 1246 CG ASN A 79 -5.402 6.764 -7.981 1.00 70.32 C ATOM 1247 OD1 ASN A 79 -6.138 6.155 -7.209 1.00 3.55 O ATOM 1248 ND2 ASN A 79 -5.617 8.044 -8.225 1.00 73.21 N ATOM 0 H ASN A 79 -2.588 7.014 -6.898 1.00 71.30 H new ATOM 0 HA ASN A 79 -4.172 4.702 -6.950 1.00 5.21 H new ATOM 0 HB2 ASN A 79 -3.473 6.903 -8.898 1.00 21.10 H new ATOM 0 HB3 ASN A 79 -4.425 5.534 -9.435 1.00 21.10 H new ATOM 0 HD21 ASN A 79 -6.394 8.526 -7.772 1.00 73.21 H new ATOM 0 HD22 ASN A 79 -5.006 8.551 -8.866 1.00 73.21 H new ATOM 1255 N GLN A 80 -1.451 4.561 -8.859 1.00 12.41 N ATOM 1256 CA GLN A 80 -0.516 3.628 -9.472 1.00 74.42 C ATOM 1257 C GLN A 80 -0.039 2.582 -8.459 1.00 53.02 C ATOM 1258 O GLN A 80 0.007 1.394 -8.784 1.00 5.15 O ATOM 1259 CB GLN A 80 0.684 4.395 -10.044 1.00 2.25 C ATOM 1260 CG GLN A 80 0.407 5.172 -11.322 1.00 53.11 C ATOM 1261 CD GLN A 80 -0.025 4.243 -12.437 1.00 1.25 C ATOM 1262 OE1 GLN A 80 0.650 3.273 -12.769 1.00 52.43 O ATOM 1263 NE2 GLN A 80 -1.175 4.503 -13.013 1.00 50.23 N ATOM 0 H GLN A 80 -1.167 5.538 -8.927 1.00 12.41 H new ATOM 0 HA GLN A 80 -1.030 3.107 -10.280 1.00 74.42 H new ATOM 0 HB2 GLN A 80 1.045 5.090 -9.286 1.00 2.25 H new ATOM 0 HB3 GLN A 80 1.490 3.686 -10.236 1.00 2.25 H new ATOM 0 HG2 GLN A 80 -0.370 5.914 -11.140 1.00 53.11 H new ATOM 0 HG3 GLN A 80 1.302 5.716 -11.623 1.00 53.11 H new ATOM 0 HE21 GLN A 80 -1.720 5.315 -12.721 1.00 50.23 H new ATOM 0 HE22 GLN A 80 -1.524 3.893 -13.752 1.00 50.23 H new ATOM 1272 N LEU A 81 0.326 2.990 -7.242 1.00 53.42 N ATOM 1273 CA LEU A 81 0.813 2.081 -6.206 1.00 44.50 C ATOM 1274 C LEU A 81 -0.228 1.019 -5.889 1.00 44.33 C ATOM 1275 O LEU A 81 0.118 -0.158 -5.815 1.00 10.12 O ATOM 1276 CB LEU A 81 1.144 2.872 -4.927 1.00 42.42 C ATOM 1277 CG LEU A 81 2.356 2.294 -4.171 1.00 21.40 C ATOM 1278 CD1 LEU A 81 3.380 3.379 -3.851 1.00 2.52 C ATOM 1279 CD2 LEU A 81 1.968 1.609 -2.858 1.00 72.54 C ATOM 0 H LEU A 81 0.291 3.966 -6.947 1.00 53.42 H new ATOM 0 HA LEU A 81 1.713 1.591 -6.576 1.00 44.50 H new ATOM 0 HB2 LEU A 81 1.345 3.911 -5.188 1.00 42.42 H new ATOM 0 HB3 LEU A 81 0.275 2.871 -4.269 1.00 42.42 H new ATOM 0 HG LEU A 81 2.785 1.550 -4.842 1.00 21.40 H new ATOM 0 HD11 LEU A 81 4.222 2.938 -3.318 1.00 2.52 H new ATOM 0 HD12 LEU A 81 3.733 3.830 -4.778 1.00 2.52 H new ATOM 0 HD13 LEU A 81 2.917 4.144 -3.228 1.00 2.52 H new ATOM 0 HD21 LEU A 81 2.863 1.222 -2.371 1.00 72.54 H new ATOM 0 HD22 LEU A 81 1.481 2.330 -2.202 1.00 72.54 H new ATOM 0 HD23 LEU A 81 1.283 0.787 -3.065 1.00 72.54 H new ATOM 1291 N MET A 82 -1.489 1.426 -5.728 1.00 70.21 N ATOM 1292 CA MET A 82 -2.597 0.504 -5.505 1.00 44.45 C ATOM 1293 C MET A 82 -2.616 -0.534 -6.633 1.00 24.41 C ATOM 1294 O MET A 82 -2.636 -1.736 -6.359 1.00 32.11 O ATOM 1295 CB MET A 82 -3.938 1.258 -5.430 1.00 5.41 C ATOM 1296 CG MET A 82 -4.076 2.249 -4.267 1.00 4.51 C ATOM 1297 SD MET A 82 -5.038 1.637 -2.854 1.00 33.23 S ATOM 1298 CE MET A 82 -3.745 1.383 -1.620 1.00 10.15 C ATOM 0 H MET A 82 -1.768 2.407 -5.749 1.00 70.21 H new ATOM 0 HA MET A 82 -2.457 -0.002 -4.550 1.00 44.45 H new ATOM 0 HB2 MET A 82 -4.083 1.800 -6.365 1.00 5.41 H new ATOM 0 HB3 MET A 82 -4.743 0.526 -5.358 1.00 5.41 H new ATOM 0 HG2 MET A 82 -3.079 2.520 -3.919 1.00 4.51 H new ATOM 0 HG3 MET A 82 -4.543 3.161 -4.639 1.00 4.51 H new ATOM 0 HE1 MET A 82 -4.197 1.076 -0.677 1.00 10.15 H new ATOM 0 HE2 MET A 82 -3.061 0.607 -1.964 1.00 10.15 H new ATOM 0 HE3 MET A 82 -3.195 2.312 -1.473 1.00 10.15 H new ATOM 1308 N HIS A 83 -2.537 -0.090 -7.894 1.00 61.54 N ATOM 1309 CA HIS A 83 -2.620 -0.979 -9.050 1.00 11.41 C ATOM 1310 C HIS A 83 -1.564 -2.080 -9.022 1.00 4.53 C ATOM 1311 O HIS A 83 -1.872 -3.225 -9.348 1.00 14.41 O ATOM 1312 CB HIS A 83 -2.475 -0.191 -10.357 1.00 60.15 C ATOM 1313 CG HIS A 83 -2.821 -1.003 -11.588 1.00 5.12 C ATOM 1314 ND1 HIS A 83 -2.287 -0.842 -12.850 1.00 14.10 N ATOM 1315 CD2 HIS A 83 -3.709 -2.046 -11.650 1.00 53.53 C ATOM 1316 CE1 HIS A 83 -2.869 -1.744 -13.656 1.00 61.45 C ATOM 1317 NE2 HIS A 83 -3.759 -2.490 -12.975 1.00 3.42 N ATOM 0 H HIS A 83 -2.414 0.893 -8.137 1.00 61.54 H new ATOM 0 HA HIS A 83 -3.603 -1.447 -9.000 1.00 11.41 H new ATOM 0 HB2 HIS A 83 -3.119 0.687 -10.317 1.00 60.15 H new ATOM 0 HB3 HIS A 83 -1.450 0.169 -10.444 1.00 60.15 H new ATOM 0 HD2 HIS A 83 -4.270 -2.453 -10.822 1.00 53.53 H new ATOM 0 HE1 HIS A 83 -2.653 -1.856 -14.708 1.00 61.45 H new ATOM 0 HE2 HIS A 83 -4.351 -3.231 -13.350 1.00 3.42 H new ATOM 1325 N PHE A 84 -0.333 -1.750 -8.623 1.00 23.13 N ATOM 1326 CA PHE A 84 0.772 -2.706 -8.607 1.00 75.15 C ATOM 1327 C PHE A 84 0.458 -3.929 -7.732 1.00 24.14 C ATOM 1328 O PHE A 84 0.917 -5.041 -8.010 1.00 42.04 O ATOM 1329 CB PHE A 84 2.054 -2.020 -8.143 1.00 75.53 C ATOM 1330 CG PHE A 84 3.258 -2.929 -8.236 1.00 44.34 C ATOM 1331 CD1 PHE A 84 3.596 -3.777 -7.165 1.00 53.53 C ATOM 1332 CD2 PHE A 84 4.060 -2.898 -9.390 1.00 73.23 C ATOM 1333 CE1 PHE A 84 4.708 -4.630 -7.267 1.00 41.01 C ATOM 1334 CE2 PHE A 84 5.197 -3.717 -9.473 1.00 22.44 C ATOM 1335 CZ PHE A 84 5.513 -4.592 -8.420 1.00 21.21 C ATOM 0 H PHE A 84 -0.077 -0.816 -8.304 1.00 23.13 H new ATOM 0 HA PHE A 84 0.914 -3.069 -9.625 1.00 75.15 H new ATOM 0 HB2 PHE A 84 2.226 -1.130 -8.748 1.00 75.53 H new ATOM 0 HB3 PHE A 84 1.932 -1.686 -7.112 1.00 75.53 H new ATOM 0 HD1 PHE A 84 3.000 -3.772 -6.264 1.00 53.53 H new ATOM 0 HD2 PHE A 84 3.802 -2.245 -10.211 1.00 73.23 H new ATOM 0 HE1 PHE A 84 4.944 -5.312 -6.463 1.00 41.01 H new ATOM 0 HE2 PHE A 84 5.830 -3.675 -10.347 1.00 22.44 H new ATOM 0 HZ PHE A 84 6.376 -5.237 -8.496 1.00 21.21 H new ATOM 1345 N ALA A 85 -0.334 -3.749 -6.672 1.00 73.51 N ATOM 1346 CA ALA A 85 -0.804 -4.874 -5.879 1.00 21.21 C ATOM 1347 C ALA A 85 -1.671 -5.809 -6.719 1.00 23.22 C ATOM 1348 O ALA A 85 -1.429 -7.017 -6.736 1.00 3.14 O ATOM 1349 CB ALA A 85 -1.567 -4.391 -4.654 1.00 14.14 C ATOM 0 H ALA A 85 -0.659 -2.838 -6.349 1.00 73.51 H new ATOM 0 HA ALA A 85 0.068 -5.433 -5.540 1.00 21.21 H new ATOM 0 HB1 ALA A 85 -1.909 -5.250 -4.076 1.00 14.14 H new ATOM 0 HB2 ALA A 85 -0.912 -3.776 -4.037 1.00 14.14 H new ATOM 0 HB3 ALA A 85 -2.427 -3.801 -4.970 1.00 14.14 H new ATOM 1355 N THR A 86 -2.679 -5.276 -7.403 1.00 75.33 N ATOM 1356 CA THR A 86 -3.611 -6.056 -8.206 1.00 34.32 C ATOM 1357 C THR A 86 -2.891 -6.722 -9.387 1.00 53.23 C ATOM 1358 O THR A 86 -3.179 -7.872 -9.730 1.00 62.12 O ATOM 1359 CB THR A 86 -4.738 -5.123 -8.703 1.00 63.33 C ATOM 1360 OG1 THR A 86 -4.965 -4.036 -7.821 1.00 43.44 O ATOM 1361 CG2 THR A 86 -6.055 -5.868 -8.911 1.00 45.30 C ATOM 0 H THR A 86 -2.873 -4.275 -7.414 1.00 75.33 H new ATOM 0 HA THR A 86 -4.039 -6.852 -7.597 1.00 34.32 H new ATOM 0 HB THR A 86 -4.390 -4.737 -9.661 1.00 63.33 H new ATOM 0 HG1 THR A 86 -5.684 -3.472 -8.175 1.00 43.44 H new ATOM 0 HG21 THR A 86 -6.816 -5.171 -9.260 1.00 45.30 H new ATOM 0 HG22 THR A 86 -5.915 -6.654 -9.653 1.00 45.30 H new ATOM 0 HG23 THR A 86 -6.375 -6.312 -7.968 1.00 45.30 H new ATOM 1369 N GLU A 87 -1.922 -6.010 -9.971 1.00 31.21 N ATOM 1370 CA GLU A 87 -0.987 -6.455 -10.991 1.00 35.33 C ATOM 1371 C GLU A 87 -0.302 -7.732 -10.543 1.00 10.41 C ATOM 1372 O GLU A 87 -0.525 -8.762 -11.178 1.00 51.15 O ATOM 1373 CB GLU A 87 0.048 -5.351 -11.250 1.00 12.50 C ATOM 1374 CG GLU A 87 -0.348 -4.293 -12.275 1.00 3.00 C ATOM 1375 CD GLU A 87 -0.062 -4.792 -13.684 1.00 30.23 C ATOM 1376 OE1 GLU A 87 1.091 -4.659 -14.152 1.00 22.04 O ATOM 1377 OE2 GLU A 87 -0.992 -5.309 -14.345 1.00 4.12 O ATOM 0 H GLU A 87 -1.765 -5.034 -9.719 1.00 31.21 H new ATOM 0 HA GLU A 87 -1.526 -6.660 -11.916 1.00 35.33 H new ATOM 0 HB2 GLU A 87 0.262 -4.851 -10.305 1.00 12.50 H new ATOM 0 HB3 GLU A 87 0.975 -5.819 -11.580 1.00 12.50 H new ATOM 0 HG2 GLU A 87 -1.407 -4.056 -12.173 1.00 3.00 H new ATOM 0 HG3 GLU A 87 0.204 -3.372 -12.089 1.00 3.00 H new ATOM 1384 N ASN A 88 0.509 -7.711 -9.476 1.00 70.35 N ATOM 1385 CA ASN A 88 1.380 -8.839 -9.196 1.00 31.12 C ATOM 1386 C ASN A 88 0.706 -9.797 -8.211 1.00 53.32 C ATOM 1387 O ASN A 88 1.259 -10.832 -7.864 1.00 30.42 O ATOM 1388 CB ASN A 88 2.749 -8.263 -8.835 1.00 64.55 C ATOM 1389 CG ASN A 88 3.417 -7.803 -10.127 1.00 31.45 C ATOM 1390 OD1 ASN A 88 3.716 -8.596 -11.016 1.00 24.54 O ATOM 1391 ND2 ASN A 88 3.561 -6.497 -10.306 1.00 74.53 N ATOM 0 H ASN A 88 0.574 -6.940 -8.812 1.00 70.35 H new ATOM 0 HA ASN A 88 1.559 -9.494 -10.049 1.00 31.12 H new ATOM 0 HB2 ASN A 88 2.642 -7.428 -8.142 1.00 64.55 H new ATOM 0 HB3 ASN A 88 3.360 -9.015 -8.336 1.00 64.55 H new ATOM 0 HD21 ASN A 88 3.924 -6.140 -11.190 1.00 74.53 H new ATOM 0 HD22 ASN A 88 3.309 -5.849 -9.560 1.00 74.53 H new ATOM 1398 N GLN A 89 -0.552 -9.495 -7.869 1.00 11.24 N ATOM 1399 CA GLN A 89 -1.551 -10.286 -7.163 1.00 31.33 C ATOM 1400 C GLN A 89 -1.236 -10.333 -5.673 1.00 1.12 C ATOM 1401 O GLN A 89 -1.604 -11.295 -4.994 1.00 51.23 O ATOM 1402 CB GLN A 89 -1.704 -11.699 -7.768 1.00 31.34 C ATOM 1403 CG GLN A 89 -2.011 -11.735 -9.272 1.00 71.21 C ATOM 1404 CD GLN A 89 -0.867 -12.339 -10.085 1.00 5.04 C ATOM 1405 OE1 GLN A 89 -0.655 -13.556 -10.059 1.00 42.43 O ATOM 1406 NE2 GLN A 89 -0.130 -11.516 -10.814 1.00 32.24 N ATOM 0 H GLN A 89 -0.933 -8.580 -8.112 1.00 11.24 H new ATOM 0 HA GLN A 89 -2.517 -9.796 -7.287 1.00 31.33 H new ATOM 0 HB2 GLN A 89 -0.785 -12.256 -7.587 1.00 31.34 H new ATOM 0 HB3 GLN A 89 -2.501 -12.220 -7.238 1.00 31.34 H new ATOM 0 HG2 GLN A 89 -2.919 -12.314 -9.441 1.00 71.21 H new ATOM 0 HG3 GLN A 89 -2.209 -10.723 -9.624 1.00 71.21 H new ATOM 0 HE21 GLN A 89 -0.331 -10.516 -10.814 1.00 32.24 H new ATOM 0 HE22 GLN A 89 0.639 -11.882 -11.376 1.00 32.24 H new ATOM 1415 N LEU A 90 -0.500 -9.344 -5.156 1.00 3.44 N ATOM 1416 CA LEU A 90 -0.072 -9.327 -3.791 1.00 45.01 C ATOM 1417 C LEU A 90 -1.232 -9.148 -2.836 1.00 1.11 C ATOM 1418 O LEU A 90 -2.222 -8.486 -3.152 1.00 31.43 O ATOM 1419 CB LEU A 90 0.946 -8.220 -3.619 1.00 23.45 C ATOM 1420 CG LEU A 90 2.073 -8.286 -4.660 1.00 41.11 C ATOM 1421 CD1 LEU A 90 2.609 -9.663 -5.041 1.00 5.11 C ATOM 1422 CD2 LEU A 90 2.007 -7.269 -5.762 1.00 3.13 C ATOM 0 H LEU A 90 -0.192 -8.534 -5.695 1.00 3.44 H new ATOM 0 HA LEU A 90 0.380 -10.289 -3.550 1.00 45.01 H new ATOM 0 HB2 LEU A 90 0.444 -7.255 -3.693 1.00 23.45 H new ATOM 0 HB3 LEU A 90 1.376 -8.279 -2.619 1.00 23.45 H new ATOM 0 HG LEU A 90 2.910 -7.929 -4.060 1.00 41.11 H new ATOM 0 HD11 LEU A 90 3.399 -9.553 -5.784 1.00 5.11 H new ATOM 0 HD12 LEU A 90 3.010 -10.155 -4.155 1.00 5.11 H new ATOM 0 HD13 LEU A 90 1.801 -10.266 -5.457 1.00 5.11 H new ATOM 0 HD21 LEU A 90 2.851 -7.409 -6.437 1.00 3.13 H new ATOM 0 HD22 LEU A 90 1.076 -7.391 -6.315 1.00 3.13 H new ATOM 0 HD23 LEU A 90 2.046 -6.267 -5.335 1.00 3.13 H new ATOM 1434 N ASN A 91 -1.079 -9.717 -1.647 1.00 72.53 N ATOM 1435 CA ASN A 91 -2.009 -9.500 -0.560 1.00 35.12 C ATOM 1436 C ASN A 91 -1.888 -8.044 -0.113 1.00 45.13 C ATOM 1437 O ASN A 91 -0.801 -7.635 0.300 1.00 11.31 O ATOM 1438 CB ASN A 91 -1.680 -10.454 0.595 1.00 25.21 C ATOM 1439 CG ASN A 91 -2.880 -10.686 1.497 1.00 2.04 C ATOM 1440 OD1 ASN A 91 -3.865 -9.957 1.447 1.00 72.55 O ATOM 1441 ND2 ASN A 91 -2.825 -11.727 2.302 1.00 13.24 N ATOM 0 H ASN A 91 -0.306 -10.340 -1.415 1.00 72.53 H new ATOM 0 HA ASN A 91 -3.032 -9.698 -0.881 1.00 35.12 H new ATOM 0 HB2 ASN A 91 -1.339 -11.408 0.192 1.00 25.21 H new ATOM 0 HB3 ASN A 91 -0.858 -10.044 1.182 1.00 25.21 H new ATOM 0 HD21 ASN A 91 -3.616 -11.946 2.907 1.00 13.24 H new ATOM 0 HD22 ASN A 91 -1.991 -12.314 2.320 1.00 13.24 H new ATOM 1448 N ILE A 92 -2.943 -7.237 -0.224 1.00 42.22 N ATOM 1449 CA ILE A 92 -2.924 -5.906 0.370 1.00 21.23 C ATOM 1450 C ILE A 92 -3.379 -6.078 1.812 1.00 42.24 C ATOM 1451 O ILE A 92 -4.532 -6.451 2.049 1.00 44.13 O ATOM 1452 CB ILE A 92 -3.785 -4.873 -0.368 1.00 52.04 C ATOM 1453 CG1 ILE A 92 -3.479 -4.823 -1.877 1.00 50.04 C ATOM 1454 CG2 ILE A 92 -3.474 -3.498 0.268 1.00 40.15 C ATOM 1455 CD1 ILE A 92 -4.674 -4.262 -2.646 1.00 61.10 C ATOM 0 H ILE A 92 -3.806 -7.478 -0.711 1.00 42.22 H new ATOM 0 HA ILE A 92 -1.915 -5.499 0.302 1.00 21.23 H new ATOM 0 HB ILE A 92 -4.836 -5.144 -0.273 1.00 52.04 H new ATOM 0 HG12 ILE A 92 -2.600 -4.203 -2.056 1.00 50.04 H new ATOM 0 HG13 ILE A 92 -3.243 -5.823 -2.240 1.00 50.04 H new ATOM 0 HG21 ILE A 92 -4.065 -2.727 -0.226 1.00 40.15 H new ATOM 0 HG22 ILE A 92 -3.723 -3.523 1.329 1.00 40.15 H new ATOM 0 HG23 ILE A 92 -2.414 -3.274 0.150 1.00 40.15 H new ATOM 0 HD11 ILE A 92 -4.441 -4.234 -3.710 1.00 61.10 H new ATOM 0 HD12 ILE A 92 -5.544 -4.898 -2.482 1.00 61.10 H new ATOM 0 HD13 ILE A 92 -4.891 -3.253 -2.295 1.00 61.10 H new ATOM 1467 N LEU A 93 -2.461 -5.882 2.745 1.00 24.35 N ATOM 1468 CA LEU A 93 -2.718 -5.754 4.164 1.00 22.12 C ATOM 1469 C LEU A 93 -2.914 -4.265 4.488 1.00 13.01 C ATOM 1470 O LEU A 93 -2.648 -3.378 3.671 1.00 35.32 O ATOM 1471 CB LEU A 93 -1.532 -6.349 4.955 1.00 12.24 C ATOM 1472 CG LEU A 93 -1.581 -7.858 5.250 1.00 20.54 C ATOM 1473 CD1 LEU A 93 -1.942 -8.728 4.048 1.00 65.14 C ATOM 1474 CD2 LEU A 93 -0.210 -8.304 5.774 1.00 3.12 C ATOM 0 H LEU A 93 -1.469 -5.805 2.518 1.00 24.35 H new ATOM 0 HA LEU A 93 -3.618 -6.300 4.447 1.00 22.12 H new ATOM 0 HB2 LEU A 93 -0.616 -6.141 4.402 1.00 12.24 H new ATOM 0 HB3 LEU A 93 -1.458 -5.820 5.905 1.00 12.24 H new ATOM 0 HG LEU A 93 -2.375 -7.997 5.984 1.00 20.54 H new ATOM 0 HD11 LEU A 93 -1.953 -9.776 4.348 1.00 65.14 H new ATOM 0 HD12 LEU A 93 -2.928 -8.446 3.678 1.00 65.14 H new ATOM 0 HD13 LEU A 93 -1.203 -8.584 3.260 1.00 65.14 H new ATOM 0 HD21 LEU A 93 -0.232 -9.373 5.987 1.00 3.12 H new ATOM 0 HD22 LEU A 93 0.551 -8.100 5.021 1.00 3.12 H new ATOM 0 HD23 LEU A 93 0.026 -7.757 6.687 1.00 3.12 H new ATOM 1486 N ASP A 94 -3.330 -3.986 5.716 1.00 50.32 N ATOM 1487 CA ASP A 94 -3.345 -2.657 6.323 1.00 63.13 C ATOM 1488 C ASP A 94 -2.440 -2.679 7.548 1.00 50.30 C ATOM 1489 O ASP A 94 -1.748 -3.668 7.807 1.00 34.25 O ATOM 1490 CB ASP A 94 -4.774 -2.261 6.702 1.00 2.23 C ATOM 1491 CG ASP A 94 -5.052 -0.757 6.716 1.00 73.34 C ATOM 1492 OD1 ASP A 94 -4.098 0.045 6.740 1.00 12.10 O ATOM 1493 OD2 ASP A 94 -6.254 -0.405 6.712 1.00 12.13 O ATOM 0 H ASP A 94 -3.681 -4.708 6.345 1.00 50.32 H new ATOM 0 HA ASP A 94 -2.978 -1.915 5.614 1.00 63.13 H new ATOM 0 HB2 ASP A 94 -5.463 -2.735 6.003 1.00 2.23 H new ATOM 0 HB3 ASP A 94 -4.996 -2.664 7.690 1.00 2.23 H new ATOM 1498 N ALA A 95 -2.467 -1.607 8.328 1.00 23.34 N ATOM 1499 CA ALA A 95 -1.541 -1.379 9.439 1.00 40.12 C ATOM 1500 C ALA A 95 -1.677 -2.397 10.577 1.00 70.03 C ATOM 1501 O ALA A 95 -0.790 -2.449 11.430 1.00 12.15 O ATOM 1502 CB ALA A 95 -1.711 0.025 10.021 1.00 1.31 C ATOM 0 H ALA A 95 -3.145 -0.854 8.207 1.00 23.34 H new ATOM 0 HA ALA A 95 -0.548 -1.496 9.005 1.00 40.12 H new ATOM 0 HB1 ALA A 95 -1.010 0.165 10.844 1.00 1.31 H new ATOM 0 HB2 ALA A 95 -1.514 0.766 9.247 1.00 1.31 H new ATOM 0 HB3 ALA A 95 -2.730 0.146 10.388 1.00 1.31 H new ATOM 1508 N GLU A 96 -2.741 -3.203 10.621 1.00 53.20 N ATOM 1509 CA GLU A 96 -2.915 -4.292 11.587 1.00 14.31 C ATOM 1510 C GLU A 96 -2.350 -5.624 11.064 1.00 34.12 C ATOM 1511 O GLU A 96 -2.264 -6.594 11.819 1.00 12.50 O ATOM 1512 CB GLU A 96 -4.416 -4.482 11.851 1.00 32.24 C ATOM 1513 CG GLU A 96 -5.069 -3.344 12.648 1.00 61.34 C ATOM 1514 CD GLU A 96 -4.831 -3.425 14.160 1.00 30.13 C ATOM 1515 OE1 GLU A 96 -5.655 -4.057 14.870 1.00 53.24 O ATOM 1516 OE2 GLU A 96 -3.871 -2.781 14.649 1.00 11.32 O ATOM 0 H GLU A 96 -3.523 -3.115 9.972 1.00 53.20 H new ATOM 0 HA GLU A 96 -2.376 -4.021 12.495 1.00 14.31 H new ATOM 0 HB2 GLU A 96 -4.931 -4.582 10.895 1.00 32.24 H new ATOM 0 HB3 GLU A 96 -4.562 -5.418 12.391 1.00 32.24 H new ATOM 0 HG2 GLU A 96 -4.687 -2.391 12.281 1.00 61.34 H new ATOM 0 HG3 GLU A 96 -6.142 -3.351 12.459 1.00 61.34 H new ATOM 1523 N GLY A 97 -1.995 -5.707 9.779 1.00 74.42 N ATOM 1524 CA GLY A 97 -1.703 -6.968 9.101 1.00 63.10 C ATOM 1525 C GLY A 97 -2.976 -7.712 8.687 1.00 54.41 C ATOM 1526 O GLY A 97 -2.987 -8.943 8.576 1.00 2.22 O ATOM 0 H GLY A 97 -1.902 -4.890 9.175 1.00 74.42 H new ATOM 0 HA2 GLY A 97 -1.096 -6.771 8.217 1.00 63.10 H new ATOM 0 HA3 GLY A 97 -1.111 -7.604 9.759 1.00 63.10 H new ATOM 1530 N ASN A 98 -4.064 -6.974 8.446 1.00 71.14 N ATOM 1531 CA ASN A 98 -5.329 -7.523 7.967 1.00 0.12 C ATOM 1532 C ASN A 98 -5.444 -7.278 6.478 1.00 63.33 C ATOM 1533 O ASN A 98 -5.222 -6.156 6.037 1.00 55.24 O ATOM 1534 CB ASN A 98 -6.515 -6.866 8.672 1.00 14.24 C ATOM 1535 CG ASN A 98 -6.531 -7.187 10.155 1.00 14.21 C ATOM 1536 OD1 ASN A 98 -6.106 -8.268 10.550 1.00 21.44 O ATOM 1537 ND2 ASN A 98 -6.997 -6.294 11.006 1.00 74.40 N ATOM 0 H ASN A 98 -4.087 -5.963 8.581 1.00 71.14 H new ATOM 0 HA ASN A 98 -5.345 -8.592 8.182 1.00 0.12 H new ATOM 0 HB2 ASN A 98 -6.469 -5.786 8.533 1.00 14.24 H new ATOM 0 HB3 ASN A 98 -7.444 -7.206 8.215 1.00 14.24 H new ATOM 0 HD21 ASN A 98 -7.007 -6.498 12.005 1.00 74.40 H new ATOM 0 HD22 ASN A 98 -7.348 -5.399 10.665 1.00 74.40 H new ATOM 1544 N SER A 99 -5.785 -8.320 5.731 1.00 63.44 N ATOM 1545 CA SER A 99 -6.000 -8.316 4.292 1.00 73.13 C ATOM 1546 C SER A 99 -7.261 -7.504 3.962 1.00 45.22 C ATOM 1547 O SER A 99 -8.363 -7.969 4.266 1.00 72.15 O ATOM 1548 CB SER A 99 -6.079 -9.761 3.783 1.00 64.13 C ATOM 1549 OG SER A 99 -6.865 -10.596 4.619 1.00 51.45 O ATOM 0 H SER A 99 -5.927 -9.244 6.138 1.00 63.44 H new ATOM 0 HA SER A 99 -5.164 -7.837 3.782 1.00 73.13 H new ATOM 0 HB2 SER A 99 -6.498 -9.765 2.777 1.00 64.13 H new ATOM 0 HB3 SER A 99 -5.072 -10.172 3.711 1.00 64.13 H new ATOM 0 HG SER A 99 -7.678 -10.119 4.887 1.00 51.45 H new ATOM 1555 N ILE A 100 -7.125 -6.311 3.383 1.00 43.54 N ATOM 1556 CA ILE A 100 -8.222 -5.373 3.102 1.00 64.33 C ATOM 1557 C ILE A 100 -8.485 -5.269 1.593 1.00 15.00 C ATOM 1558 O ILE A 100 -7.749 -5.833 0.782 1.00 30.04 O ATOM 1559 CB ILE A 100 -7.910 -3.990 3.720 1.00 15.34 C ATOM 1560 CG1 ILE A 100 -6.499 -3.482 3.344 1.00 73.43 C ATOM 1561 CG2 ILE A 100 -8.095 -4.035 5.245 1.00 3.34 C ATOM 1562 CD1 ILE A 100 -6.403 -1.957 3.355 1.00 44.42 C ATOM 0 H ILE A 100 -6.217 -5.955 3.085 1.00 43.54 H new ATOM 0 HA ILE A 100 -9.134 -5.754 3.563 1.00 64.33 H new ATOM 0 HB ILE A 100 -8.619 -3.276 3.301 1.00 15.34 H new ATOM 0 HG12 ILE A 100 -5.770 -3.894 4.042 1.00 73.43 H new ATOM 0 HG13 ILE A 100 -6.235 -3.852 2.353 1.00 73.43 H new ATOM 0 HG21 ILE A 100 -7.872 -3.055 5.668 1.00 3.34 H new ATOM 0 HG22 ILE A 100 -9.125 -4.305 5.479 1.00 3.34 H new ATOM 0 HG23 ILE A 100 -7.419 -4.776 5.672 1.00 3.34 H new ATOM 0 HD11 ILE A 100 -5.392 -1.654 3.084 1.00 44.42 H new ATOM 0 HD12 ILE A 100 -7.111 -1.543 2.637 1.00 44.42 H new ATOM 0 HD13 ILE A 100 -6.638 -1.585 4.352 1.00 44.42 H new ATOM 1574 N ASP A 101 -9.564 -4.587 1.205 1.00 13.23 N ATOM 1575 CA ASP A 101 -9.820 -4.182 -0.180 1.00 33.34 C ATOM 1576 C ASP A 101 -9.190 -2.812 -0.408 1.00 51.52 C ATOM 1577 O ASP A 101 -8.903 -2.077 0.535 1.00 21.25 O ATOM 1578 CB ASP A 101 -11.328 -4.089 -0.466 1.00 21.52 C ATOM 1579 CG ASP A 101 -11.906 -5.395 -1.014 1.00 61.20 C ATOM 1580 OD1 ASP A 101 -11.524 -5.774 -2.146 1.00 2.20 O ATOM 1581 OD2 ASP A 101 -12.711 -6.044 -0.300 1.00 23.31 O ATOM 0 H ASP A 101 -10.296 -4.296 1.853 1.00 13.23 H new ATOM 0 HA ASP A 101 -9.390 -4.929 -0.847 1.00 33.34 H new ATOM 0 HB2 ASP A 101 -11.852 -3.821 0.452 1.00 21.52 H new ATOM 0 HB3 ASP A 101 -11.509 -3.287 -1.182 1.00 21.52 H new ATOM 1586 N ALA A 102 -9.035 -2.426 -1.672 1.00 12.21 N ATOM 1587 CA ALA A 102 -8.448 -1.137 -2.043 1.00 43.34 C ATOM 1588 C ALA A 102 -9.425 0.021 -1.858 1.00 52.22 C ATOM 1589 O ALA A 102 -9.007 1.149 -1.603 1.00 23.15 O ATOM 1590 CB ALA A 102 -7.921 -1.217 -3.476 1.00 25.53 C ATOM 0 H ALA A 102 -9.312 -2.997 -2.470 1.00 12.21 H new ATOM 0 HA ALA A 102 -7.616 -0.929 -1.371 1.00 43.34 H new ATOM 0 HB1 ALA A 102 -7.483 -0.259 -3.757 1.00 25.53 H new ATOM 0 HB2 ALA A 102 -7.162 -1.996 -3.541 1.00 25.53 H new ATOM 0 HB3 ALA A 102 -8.742 -1.453 -4.153 1.00 25.53 H new ATOM 1596 N ALA A 103 -10.729 -0.251 -1.914 1.00 43.40 N ATOM 1597 CA ALA A 103 -11.750 0.749 -1.618 1.00 44.04 C ATOM 1598 C ALA A 103 -11.801 1.102 -0.124 1.00 54.00 C ATOM 1599 O ALA A 103 -12.405 2.109 0.240 1.00 11.32 O ATOM 1600 CB ALA A 103 -13.101 0.239 -2.103 1.00 1.34 C ATOM 0 H ALA A 103 -11.104 -1.166 -2.165 1.00 43.40 H new ATOM 0 HA ALA A 103 -11.493 1.669 -2.144 1.00 44.04 H new ATOM 0 HB1 ALA A 103 -13.869 0.981 -1.885 1.00 1.34 H new ATOM 0 HB2 ALA A 103 -13.059 0.064 -3.178 1.00 1.34 H new ATOM 0 HB3 ALA A 103 -13.342 -0.694 -1.593 1.00 1.34 H new ATOM 1606 N GLN A 104 -11.141 0.329 0.746 1.00 73.32 N ATOM 1607 CA GLN A 104 -10.899 0.718 2.134 1.00 73.21 C ATOM 1608 C GLN A 104 -9.716 1.698 2.245 1.00 22.00 C ATOM 1609 O GLN A 104 -9.276 1.993 3.356 1.00 40.21 O ATOM 1610 CB GLN A 104 -10.722 -0.532 3.016 1.00 51.33 C ATOM 1611 CG GLN A 104 -12.020 -1.355 3.114 1.00 11.13 C ATOM 1612 CD GLN A 104 -11.951 -2.442 4.189 1.00 21.52 C ATOM 1613 OE1 GLN A 104 -11.488 -2.209 5.301 1.00 31.40 O ATOM 1614 NE2 GLN A 104 -12.425 -3.644 3.902 1.00 23.42 N ATOM 0 H GLN A 104 -10.760 -0.586 0.504 1.00 73.32 H new ATOM 0 HA GLN A 104 -11.772 1.255 2.505 1.00 73.21 H new ATOM 0 HB2 GLN A 104 -9.927 -1.155 2.607 1.00 51.33 H new ATOM 0 HB3 GLN A 104 -10.408 -0.230 4.015 1.00 51.33 H new ATOM 0 HG2 GLN A 104 -12.853 -0.687 3.332 1.00 11.13 H new ATOM 0 HG3 GLN A 104 -12.226 -1.817 2.149 1.00 11.13 H new ATOM 0 HE21 GLN A 104 -12.809 -3.833 2.976 1.00 23.42 H new ATOM 0 HE22 GLN A 104 -12.406 -4.381 4.607 1.00 23.42 H new ATOM 1623 N VAL A 105 -9.183 2.194 1.118 1.00 42.20 N ATOM 1624 CA VAL A 105 -7.996 3.037 1.087 1.00 71.52 C ATOM 1625 C VAL A 105 -8.184 4.261 0.194 1.00 31.24 C ATOM 1626 O VAL A 105 -8.072 5.388 0.677 1.00 2.35 O ATOM 1627 CB VAL A 105 -6.759 2.215 0.687 1.00 55.42 C ATOM 1628 CG1 VAL A 105 -5.511 3.002 1.066 1.00 32.13 C ATOM 1629 CG2 VAL A 105 -6.657 0.857 1.383 1.00 61.02 C ATOM 0 H VAL A 105 -9.576 2.014 0.194 1.00 42.20 H new ATOM 0 HA VAL A 105 -7.832 3.418 2.095 1.00 71.52 H new ATOM 0 HB VAL A 105 -6.850 2.034 -0.384 1.00 55.42 H new ATOM 0 HG11 VAL A 105 -4.624 2.433 0.789 1.00 32.13 H new ATOM 0 HG12 VAL A 105 -5.509 3.956 0.539 1.00 32.13 H new ATOM 0 HG13 VAL A 105 -5.506 3.181 2.141 1.00 32.13 H new ATOM 0 HG21 VAL A 105 -5.758 0.342 1.046 1.00 61.02 H new ATOM 0 HG22 VAL A 105 -6.608 1.004 2.462 1.00 61.02 H new ATOM 0 HG23 VAL A 105 -7.533 0.256 1.138 1.00 61.02 H new ATOM 1639 N THR A 106 -8.461 4.091 -1.099 1.00 62.15 N ATOM 1640 CA THR A 106 -8.533 5.217 -2.039 1.00 62.03 C ATOM 1641 C THR A 106 -9.754 6.130 -1.812 1.00 72.11 C ATOM 1642 O THR A 106 -9.907 7.118 -2.537 1.00 51.42 O ATOM 1643 CB THR A 106 -8.446 4.727 -3.500 1.00 22.11 C ATOM 1644 OG1 THR A 106 -9.173 3.533 -3.720 1.00 21.52 O ATOM 1645 CG2 THR A 106 -6.995 4.544 -3.960 1.00 21.22 C ATOM 0 H THR A 106 -8.640 3.181 -1.524 1.00 62.15 H new ATOM 0 HA THR A 106 -7.662 5.841 -1.837 1.00 62.03 H new ATOM 0 HB THR A 106 -8.905 5.514 -4.099 1.00 22.11 H new ATOM 0 HG1 THR A 106 -9.087 3.266 -4.659 1.00 21.52 H new ATOM 0 HG21 THR A 106 -6.982 4.198 -4.994 1.00 21.22 H new ATOM 0 HG22 THR A 106 -6.468 5.495 -3.889 1.00 21.22 H new ATOM 0 HG23 THR A 106 -6.502 3.808 -3.325 1.00 21.22 H new ATOM 1653 N GLU A 107 -10.611 5.819 -0.832 1.00 60.34 N ATOM 1654 CA GLU A 107 -11.852 6.525 -0.519 1.00 40.55 C ATOM 1655 C GLU A 107 -11.809 7.214 0.856 1.00 15.31 C ATOM 1656 O GLU A 107 -12.817 7.758 1.324 1.00 71.44 O ATOM 1657 CB GLU A 107 -13.036 5.548 -0.599 1.00 15.23 C ATOM 1658 CG GLU A 107 -13.129 4.786 -1.933 1.00 0.13 C ATOM 1659 CD GLU A 107 -14.398 3.937 -2.050 1.00 61.22 C ATOM 1660 OE1 GLU A 107 -15.259 3.944 -1.139 1.00 42.15 O ATOM 1661 OE2 GLU A 107 -14.580 3.273 -3.100 1.00 24.33 O ATOM 0 H GLU A 107 -10.447 5.029 -0.208 1.00 60.34 H new ATOM 0 HA GLU A 107 -11.978 7.316 -1.259 1.00 40.55 H new ATOM 0 HB2 GLU A 107 -12.955 4.827 0.215 1.00 15.23 H new ATOM 0 HB3 GLU A 107 -13.962 6.102 -0.443 1.00 15.23 H new ATOM 0 HG2 GLU A 107 -13.099 5.500 -2.756 1.00 0.13 H new ATOM 0 HG3 GLU A 107 -12.256 4.142 -2.039 1.00 0.13 H new ATOM 1668 N ILE A 108 -10.657 7.156 1.525 1.00 62.10 N ATOM 1669 CA ILE A 108 -10.418 7.706 2.855 1.00 14.41 C ATOM 1670 C ILE A 108 -10.375 9.229 2.788 1.00 42.04 C ATOM 1671 O ILE A 108 -10.627 9.878 3.829 1.00 44.34 O ATOM 1672 CB ILE A 108 -9.161 7.033 3.452 1.00 53.03 C ATOM 1673 CG1 ILE A 108 -9.418 5.523 3.690 1.00 65.13 C ATOM 1674 CG2 ILE A 108 -8.653 7.673 4.754 1.00 60.35 C ATOM 1675 CD1 ILE A 108 -10.583 5.144 4.618 1.00 74.14 C ATOM 0 H ILE A 108 -9.830 6.704 1.135 1.00 62.10 H new ATOM 0 HA ILE A 108 -11.235 7.482 3.541 1.00 14.41 H new ATOM 0 HB ILE A 108 -8.377 7.181 2.709 1.00 53.03 H new ATOM 0 HG12 ILE A 108 -9.592 5.054 2.722 1.00 65.13 H new ATOM 0 HG13 ILE A 108 -8.506 5.086 4.097 1.00 65.13 H new ATOM 0 HG21 ILE A 108 -7.769 7.138 5.102 1.00 60.35 H new ATOM 0 HG22 ILE A 108 -8.397 8.716 4.571 1.00 60.35 H new ATOM 0 HG23 ILE A 108 -9.432 7.619 5.514 1.00 60.35 H new ATOM 0 HD11 ILE A 108 -10.649 4.059 4.695 1.00 74.14 H new ATOM 0 HD12 ILE A 108 -10.413 5.568 5.607 1.00 74.14 H new ATOM 0 HD13 ILE A 108 -11.515 5.536 4.211 1.00 74.14 H new TER 1687 ILE A 108