USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 715 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-7!) USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc=0.000283 USER MOD Set 2.2: A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -177:sc= -2.5 (180deg=-2.56) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 110:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.000249 USER MOD Single : A 8 THR OG1 : rot 44:sc= 0.295 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00126 USER MOD Single : A 12 SER OG : rot 31:sc= 0.419 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 94:sc= -0.315 USER MOD Single : A 22 SER OG : rot 50:sc= 0.379 USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= 0.823 (180deg=-0.0527) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= 0.0178 (180deg=-0.515) USER MOD Single : A 32 SER OG : rot 180:sc= -1.13 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -150:sc= -0.767 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 44 LYS NZ :NH3+ 153:sc= -1.41 (180deg=-1.46) USER MOD Single : A 51 LYS NZ :NH3+ -164:sc=-0.00286 (180deg=-0.0119) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 10:sc= 0.333 USER MOD Single : A 61 THR OG1 : rot 45:sc= -0.35 USER MOD Single : A 62 ASN : amide:sc= 0.062 X(o=0.062,f=0) USER MOD Single : A 68 ASN : amide:sc= -1.77 K(o=-1.8,f=-5.9!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.07 X(o=-0.07,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.834 -14.170 3.873 1.00 5.02 N ATOM 2 CA MET A 1 -11.298 -12.967 4.631 1.00 4.21 C ATOM 3 C MET A 1 -12.486 -13.341 5.520 1.00 4.00 C ATOM 4 O MET A 1 -13.428 -13.973 5.070 1.00 4.66 O ATOM 5 CB MET A 1 -11.733 -11.871 3.654 1.00 4.44 C ATOM 6 CG MET A 1 -11.776 -10.519 4.383 1.00 3.95 C ATOM 7 SD MET A 1 -12.020 -9.179 3.192 1.00 4.15 S ATOM 8 CE MET A 1 -10.343 -9.182 2.518 1.00 4.14 C ATOM 0 H1 MET A 1 -10.027 -13.911 3.271 1.00 5.02 H new ATOM 0 H2 MET A 1 -10.543 -14.911 4.542 1.00 5.02 H new ATOM 0 H3 MET A 1 -11.609 -14.526 3.278 1.00 5.02 H new ATOM 0 HA MET A 1 -10.477 -12.602 5.248 1.00 4.21 H new ATOM 0 HB2 MET A 1 -11.039 -11.821 2.815 1.00 4.44 H new ATOM 0 HB3 MET A 1 -12.715 -12.105 3.242 1.00 4.44 H new ATOM 0 HG2 MET A 1 -12.584 -10.517 5.115 1.00 3.95 H new ATOM 0 HG3 MET A 1 -10.848 -10.363 4.932 1.00 3.95 H new ATOM 0 HE1 MET A 1 -10.244 -8.381 1.785 1.00 4.14 H new ATOM 0 HE2 MET A 1 -9.626 -9.027 3.325 1.00 4.14 H new ATOM 0 HE3 MET A 1 -10.146 -10.140 2.037 1.00 4.14 H new ATOM 20 N SER A 2 -12.448 -12.951 6.775 1.00 3.28 N ATOM 21 CA SER A 2 -13.567 -13.274 7.712 1.00 3.45 C ATOM 22 C SER A 2 -13.745 -14.797 7.753 1.00 4.16 C ATOM 23 O SER A 2 -14.554 -15.361 7.037 1.00 4.60 O ATOM 24 CB SER A 2 -14.856 -12.588 7.232 1.00 3.88 C ATOM 25 OG SER A 2 -15.399 -11.810 8.293 1.00 3.77 O ATOM 0 H SER A 2 -11.683 -12.419 7.190 1.00 3.28 H new ATOM 0 HA SER A 2 -13.341 -12.911 8.714 1.00 3.45 H new ATOM 0 HB2 SER A 2 -14.645 -11.953 6.372 1.00 3.88 H new ATOM 0 HB3 SER A 2 -15.580 -13.335 6.907 1.00 3.88 H new ATOM 0 HG SER A 2 -15.298 -10.858 8.085 1.00 3.77 H new ATOM 31 N GLY A 3 -12.968 -15.466 8.571 1.00 4.32 N ATOM 32 CA GLY A 3 -13.051 -16.955 8.658 1.00 5.04 C ATOM 33 C GLY A 3 -14.466 -17.385 9.051 1.00 5.33 C ATOM 34 O GLY A 3 -14.892 -17.194 10.176 1.00 5.31 O ATOM 0 H GLY A 3 -12.275 -15.039 9.186 1.00 4.32 H new ATOM 0 HA2 GLY A 3 -12.782 -17.398 7.699 1.00 5.04 H new ATOM 0 HA3 GLY A 3 -12.334 -17.324 9.392 1.00 5.04 H new ATOM 38 N GLY A 4 -15.188 -17.973 8.125 1.00 5.72 N ATOM 39 CA GLY A 4 -16.576 -18.434 8.421 1.00 6.11 C ATOM 40 C GLY A 4 -17.587 -17.622 7.604 1.00 5.75 C ATOM 41 O GLY A 4 -18.223 -18.143 6.705 1.00 5.98 O ATOM 0 H GLY A 4 -14.870 -18.153 7.173 1.00 5.72 H new ATOM 0 HA2 GLY A 4 -16.674 -19.494 8.185 1.00 6.11 H new ATOM 0 HA3 GLY A 4 -16.785 -18.324 9.485 1.00 6.11 H new ATOM 45 N THR A 5 -17.745 -16.356 7.914 1.00 5.25 N ATOM 46 CA THR A 5 -18.726 -15.504 7.165 1.00 4.95 C ATOM 47 C THR A 5 -18.065 -14.898 5.918 1.00 4.52 C ATOM 48 O THR A 5 -16.853 -14.816 5.819 1.00 4.39 O ATOM 49 CB THR A 5 -19.228 -14.374 8.084 1.00 4.81 C ATOM 50 OG1 THR A 5 -20.265 -13.652 7.430 1.00 4.70 O ATOM 51 CG2 THR A 5 -18.075 -13.422 8.424 1.00 4.43 C ATOM 0 H THR A 5 -17.236 -15.875 8.655 1.00 5.25 H new ATOM 0 HA THR A 5 -19.566 -16.124 6.851 1.00 4.95 H new ATOM 0 HB THR A 5 -19.613 -14.810 9.006 1.00 4.81 H new ATOM 0 HG1 THR A 5 -20.584 -12.935 8.017 1.00 4.70 H new ATOM 0 HG21 THR A 5 -18.440 -12.627 9.074 1.00 4.43 H new ATOM 0 HG22 THR A 5 -17.286 -13.974 8.934 1.00 4.43 H new ATOM 0 HG23 THR A 5 -17.679 -12.988 7.506 1.00 4.43 H new ATOM 59 N ALA A 6 -18.862 -14.454 4.973 1.00 4.36 N ATOM 60 CA ALA A 6 -18.298 -13.828 3.739 1.00 4.00 C ATOM 61 C ALA A 6 -17.912 -12.379 4.057 1.00 3.39 C ATOM 62 O ALA A 6 -16.909 -11.880 3.580 1.00 3.11 O ATOM 63 CB ALA A 6 -19.344 -13.847 2.620 1.00 4.18 C ATOM 0 H ALA A 6 -19.880 -14.500 5.006 1.00 4.36 H new ATOM 0 HA ALA A 6 -17.421 -14.386 3.410 1.00 4.00 H new ATOM 0 HB1 ALA A 6 -18.926 -13.389 1.723 1.00 4.18 H new ATOM 0 HB2 ALA A 6 -19.626 -14.877 2.403 1.00 4.18 H new ATOM 0 HB3 ALA A 6 -20.225 -13.288 2.936 1.00 4.18 H new ATOM 69 N ALA A 7 -18.709 -11.708 4.871 1.00 3.30 N ATOM 70 CA ALA A 7 -18.421 -10.288 5.252 1.00 2.80 C ATOM 71 C ALA A 7 -18.088 -9.462 4.000 1.00 2.41 C ATOM 72 O ALA A 7 -17.128 -8.709 3.971 1.00 2.29 O ATOM 73 CB ALA A 7 -17.246 -10.256 6.238 1.00 2.64 C ATOM 0 H ALA A 7 -19.555 -12.095 5.289 1.00 3.30 H new ATOM 0 HA ALA A 7 -19.301 -9.854 5.727 1.00 2.80 H new ATOM 0 HB1 ALA A 7 -17.034 -9.224 6.517 1.00 2.64 H new ATOM 0 HB2 ALA A 7 -17.504 -10.828 7.130 1.00 2.64 H new ATOM 0 HB3 ALA A 7 -16.365 -10.693 5.768 1.00 2.64 H new ATOM 79 N THR A 8 -18.880 -9.602 2.962 1.00 2.36 N ATOM 80 CA THR A 8 -18.625 -8.837 1.704 1.00 2.07 C ATOM 81 C THR A 8 -19.107 -7.393 1.876 1.00 1.82 C ATOM 82 O THR A 8 -20.293 -7.130 1.973 1.00 2.12 O ATOM 83 CB THR A 8 -19.366 -9.494 0.529 1.00 2.32 C ATOM 84 OG1 THR A 8 -20.715 -9.760 0.895 1.00 2.59 O ATOM 85 CG2 THR A 8 -18.670 -10.804 0.153 1.00 2.67 C ATOM 0 H THR A 8 -19.694 -10.216 2.935 1.00 2.36 H new ATOM 0 HA THR A 8 -17.555 -8.840 1.494 1.00 2.07 H new ATOM 0 HB THR A 8 -19.354 -8.817 -0.325 1.00 2.32 H new ATOM 0 HG1 THR A 8 -21.082 -8.988 1.373 1.00 2.59 H new ATOM 0 HG21 THR A 8 -19.196 -11.269 -0.680 1.00 2.67 H new ATOM 0 HG22 THR A 8 -17.640 -10.598 -0.138 1.00 2.67 H new ATOM 0 HG23 THR A 8 -18.678 -11.479 1.009 1.00 2.67 H new ATOM 93 N THR A 9 -18.189 -6.457 1.909 1.00 1.49 N ATOM 94 CA THR A 9 -18.577 -5.021 2.063 1.00 1.50 C ATOM 95 C THR A 9 -19.091 -4.494 0.717 1.00 1.25 C ATOM 96 O THR A 9 -20.070 -3.771 0.659 1.00 1.48 O ATOM 97 CB THR A 9 -17.362 -4.194 2.515 1.00 1.67 C ATOM 98 OG1 THR A 9 -16.251 -4.470 1.668 1.00 1.62 O ATOM 99 CG2 THR A 9 -17.004 -4.547 3.962 1.00 2.04 C ATOM 0 H THR A 9 -17.186 -6.627 1.836 1.00 1.49 H new ATOM 0 HA THR A 9 -19.361 -4.934 2.816 1.00 1.50 H new ATOM 0 HB THR A 9 -17.608 -3.134 2.453 1.00 1.67 H new ATOM 0 HG1 THR A 9 -15.479 -3.940 1.958 1.00 1.62 H new ATOM 0 HG21 THR A 9 -16.143 -3.958 4.278 1.00 2.04 H new ATOM 0 HG22 THR A 9 -17.852 -4.326 4.611 1.00 2.04 H new ATOM 0 HG23 THR A 9 -16.763 -5.608 4.029 1.00 2.04 H new ATOM 107 N ALA A 10 -18.437 -4.865 -0.363 1.00 1.04 N ATOM 108 CA ALA A 10 -18.872 -4.408 -1.720 1.00 1.06 C ATOM 109 C ALA A 10 -19.419 -5.603 -2.510 1.00 1.05 C ATOM 110 O ALA A 10 -19.025 -6.737 -2.294 1.00 1.15 O ATOM 111 CB ALA A 10 -17.675 -3.810 -2.464 1.00 1.26 C ATOM 0 H ALA A 10 -17.615 -5.469 -0.359 1.00 1.04 H new ATOM 0 HA ALA A 10 -19.651 -3.653 -1.617 1.00 1.06 H new ATOM 0 HB1 ALA A 10 -17.991 -3.477 -3.453 1.00 1.26 H new ATOM 0 HB2 ALA A 10 -17.285 -2.961 -1.902 1.00 1.26 H new ATOM 0 HB3 ALA A 10 -16.896 -4.566 -2.567 1.00 1.26 H new ATOM 117 N GLY A 11 -20.322 -5.353 -3.430 1.00 1.10 N ATOM 118 CA GLY A 11 -20.904 -6.462 -4.247 1.00 1.17 C ATOM 119 C GLY A 11 -19.841 -7.005 -5.209 1.00 0.97 C ATOM 120 O GLY A 11 -19.482 -8.168 -5.153 1.00 1.10 O ATOM 0 H GLY A 11 -20.681 -4.424 -3.649 1.00 1.10 H new ATOM 0 HA2 GLY A 11 -21.260 -7.259 -3.595 1.00 1.17 H new ATOM 0 HA3 GLY A 11 -21.766 -6.100 -4.808 1.00 1.17 H new ATOM 124 N SER A 12 -19.340 -6.169 -6.091 1.00 0.83 N ATOM 125 CA SER A 12 -18.300 -6.623 -7.067 1.00 0.73 C ATOM 126 C SER A 12 -16.901 -6.307 -6.521 1.00 0.63 C ATOM 127 O SER A 12 -16.566 -5.163 -6.263 1.00 0.72 O ATOM 128 CB SER A 12 -18.506 -5.908 -8.409 1.00 0.83 C ATOM 129 OG SER A 12 -18.490 -4.498 -8.210 1.00 0.95 O ATOM 0 H SER A 12 -19.609 -5.189 -6.175 1.00 0.83 H new ATOM 0 HA SER A 12 -18.391 -7.699 -7.214 1.00 0.73 H new ATOM 0 HB2 SER A 12 -17.721 -6.195 -9.109 1.00 0.83 H new ATOM 0 HB3 SER A 12 -19.455 -6.212 -8.852 1.00 0.83 H new ATOM 0 HG SER A 12 -17.898 -4.280 -7.460 1.00 0.95 H new ATOM 135 N LYS A 13 -16.083 -7.318 -6.348 1.00 0.55 N ATOM 136 CA LYS A 13 -14.698 -7.098 -5.824 1.00 0.49 C ATOM 137 C LYS A 13 -13.719 -8.037 -6.536 1.00 0.47 C ATOM 138 O LYS A 13 -14.090 -9.092 -7.022 1.00 0.61 O ATOM 139 CB LYS A 13 -14.644 -7.356 -4.307 1.00 0.54 C ATOM 140 CG LYS A 13 -15.830 -8.223 -3.861 1.00 1.33 C ATOM 141 CD LYS A 13 -15.537 -8.823 -2.482 1.00 1.46 C ATOM 142 CE LYS A 13 -16.000 -7.855 -1.386 1.00 1.79 C ATOM 143 NZ LYS A 13 -14.903 -7.650 -0.395 1.00 1.72 N ATOM 0 H LYS A 13 -16.317 -8.290 -6.548 1.00 0.55 H new ATOM 0 HA LYS A 13 -14.418 -6.062 -6.014 1.00 0.49 H new ATOM 0 HB2 LYS A 13 -13.708 -7.852 -4.051 1.00 0.54 H new ATOM 0 HB3 LYS A 13 -14.659 -6.407 -3.771 1.00 0.54 H new ATOM 0 HG2 LYS A 13 -16.739 -7.622 -3.822 1.00 1.33 H new ATOM 0 HG3 LYS A 13 -16.005 -9.018 -4.585 1.00 1.33 H new ATOM 0 HD2 LYS A 13 -16.049 -9.780 -2.375 1.00 1.46 H new ATOM 0 HD3 LYS A 13 -14.470 -9.019 -2.380 1.00 1.46 H new ATOM 0 HE2 LYS A 13 -16.286 -6.901 -1.828 1.00 1.79 H new ATOM 0 HE3 LYS A 13 -16.884 -8.252 -0.887 1.00 1.79 H new ATOM 0 HZ1 LYS A 13 -15.222 -6.993 0.345 1.00 1.72 H new ATOM 0 HZ2 LYS A 13 -14.650 -8.562 0.037 1.00 1.72 H new ATOM 0 HZ3 LYS A 13 -14.071 -7.252 -0.876 1.00 1.72 H new ATOM 157 N VAL A 14 -12.468 -7.653 -6.594 1.00 0.41 N ATOM 158 CA VAL A 14 -11.434 -8.500 -7.266 1.00 0.42 C ATOM 159 C VAL A 14 -10.498 -9.105 -6.210 1.00 0.46 C ATOM 160 O VAL A 14 -10.150 -8.465 -5.231 1.00 0.54 O ATOM 161 CB VAL A 14 -10.621 -7.649 -8.257 1.00 0.44 C ATOM 162 CG1 VAL A 14 -11.528 -7.184 -9.401 1.00 0.44 C ATOM 163 CG2 VAL A 14 -10.032 -6.424 -7.546 1.00 0.53 C ATOM 0 H VAL A 14 -12.115 -6.780 -6.201 1.00 0.41 H new ATOM 0 HA VAL A 14 -11.929 -9.303 -7.812 1.00 0.42 H new ATOM 0 HB VAL A 14 -9.808 -8.255 -8.656 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -10.950 -6.581 -10.102 1.00 0.44 H new ATOM 0 HG12 VAL A 14 -11.935 -8.053 -9.919 1.00 0.44 H new ATOM 0 HG13 VAL A 14 -12.346 -6.587 -8.997 1.00 0.44 H new ATOM 0 HG21 VAL A 14 -9.459 -5.830 -8.258 1.00 0.53 H new ATOM 0 HG22 VAL A 14 -10.840 -5.818 -7.136 1.00 0.53 H new ATOM 0 HG23 VAL A 14 -9.378 -6.752 -6.738 1.00 0.53 H new ATOM 173 N THR A 15 -10.092 -10.338 -6.406 1.00 0.46 N ATOM 174 CA THR A 15 -9.180 -11.008 -5.425 1.00 0.53 C ATOM 175 C THR A 15 -7.733 -10.932 -5.930 1.00 0.49 C ATOM 176 O THR A 15 -7.481 -10.948 -7.123 1.00 0.50 O ATOM 177 CB THR A 15 -9.591 -12.478 -5.254 1.00 0.62 C ATOM 178 OG1 THR A 15 -9.728 -13.092 -6.531 1.00 0.66 O ATOM 179 CG2 THR A 15 -10.925 -12.555 -4.503 1.00 0.74 C ATOM 0 H THR A 15 -10.355 -10.911 -7.208 1.00 0.46 H new ATOM 0 HA THR A 15 -9.253 -10.501 -4.463 1.00 0.53 H new ATOM 0 HB THR A 15 -8.823 -13.001 -4.684 1.00 0.62 H new ATOM 0 HG1 THR A 15 -9.989 -14.030 -6.417 1.00 0.66 H new ATOM 0 HG21 THR A 15 -11.215 -13.599 -4.383 1.00 0.74 H new ATOM 0 HG22 THR A 15 -10.817 -12.093 -3.522 1.00 0.74 H new ATOM 0 HG23 THR A 15 -11.693 -12.028 -5.070 1.00 0.74 H new ATOM 187 N PHE A 16 -6.784 -10.845 -5.029 1.00 0.52 N ATOM 188 CA PHE A 16 -5.350 -10.761 -5.441 1.00 0.50 C ATOM 189 C PHE A 16 -4.534 -11.836 -4.717 1.00 0.55 C ATOM 190 O PHE A 16 -4.823 -12.200 -3.590 1.00 0.68 O ATOM 191 CB PHE A 16 -4.793 -9.376 -5.095 1.00 0.49 C ATOM 192 CG PHE A 16 -5.444 -8.332 -5.974 1.00 0.48 C ATOM 193 CD1 PHE A 16 -5.242 -8.358 -7.361 1.00 0.53 C ATOM 194 CD2 PHE A 16 -6.249 -7.338 -5.403 1.00 0.52 C ATOM 195 CE1 PHE A 16 -5.845 -7.392 -8.174 1.00 0.56 C ATOM 196 CE2 PHE A 16 -6.852 -6.372 -6.217 1.00 0.55 C ATOM 197 CZ PHE A 16 -6.649 -6.399 -7.602 1.00 0.55 C ATOM 0 H PHE A 16 -6.943 -10.829 -4.022 1.00 0.52 H new ATOM 0 HA PHE A 16 -5.280 -10.922 -6.517 1.00 0.50 H new ATOM 0 HB2 PHE A 16 -4.980 -9.150 -4.045 1.00 0.49 H new ATOM 0 HB3 PHE A 16 -3.712 -9.362 -5.236 1.00 0.49 H new ATOM 0 HD1 PHE A 16 -4.621 -9.124 -7.802 1.00 0.53 H new ATOM 0 HD2 PHE A 16 -6.404 -7.317 -4.334 1.00 0.52 H new ATOM 0 HE1 PHE A 16 -5.690 -7.412 -9.243 1.00 0.56 H new ATOM 0 HE2 PHE A 16 -7.474 -5.606 -5.777 1.00 0.55 H new ATOM 0 HZ PHE A 16 -7.113 -5.653 -8.230 1.00 0.55 H new ATOM 207 N LYS A 17 -3.516 -12.342 -5.366 1.00 0.54 N ATOM 208 CA LYS A 17 -2.658 -13.396 -4.749 1.00 0.59 C ATOM 209 C LYS A 17 -1.189 -12.979 -4.879 1.00 0.59 C ATOM 210 O LYS A 17 -0.686 -12.803 -5.973 1.00 0.65 O ATOM 211 CB LYS A 17 -2.893 -14.718 -5.484 1.00 0.64 C ATOM 212 CG LYS A 17 -2.402 -15.882 -4.623 1.00 1.37 C ATOM 213 CD LYS A 17 -1.494 -16.787 -5.457 1.00 2.02 C ATOM 214 CE LYS A 17 -2.123 -18.178 -5.562 1.00 2.78 C ATOM 215 NZ LYS A 17 -2.837 -18.307 -6.865 1.00 3.39 N ATOM 0 H LYS A 17 -3.241 -12.065 -6.308 1.00 0.54 H new ATOM 0 HA LYS A 17 -2.906 -13.520 -3.695 1.00 0.59 H new ATOM 0 HB2 LYS A 17 -3.954 -14.839 -5.705 1.00 0.64 H new ATOM 0 HB3 LYS A 17 -2.367 -14.713 -6.439 1.00 0.64 H new ATOM 0 HG2 LYS A 17 -1.859 -15.504 -3.757 1.00 1.37 H new ATOM 0 HG3 LYS A 17 -3.251 -16.451 -4.244 1.00 1.37 H new ATOM 0 HD2 LYS A 17 -1.353 -16.363 -6.451 1.00 2.02 H new ATOM 0 HD3 LYS A 17 -0.508 -16.855 -4.997 1.00 2.02 H new ATOM 0 HE2 LYS A 17 -1.352 -18.944 -5.481 1.00 2.78 H new ATOM 0 HE3 LYS A 17 -2.818 -18.337 -4.738 1.00 2.78 H new ATOM 0 HZ1 LYS A 17 -3.264 -19.253 -6.935 1.00 3.39 H new ATOM 0 HZ2 LYS A 17 -3.583 -17.585 -6.925 1.00 3.39 H new ATOM 0 HZ3 LYS A 17 -2.162 -18.173 -7.645 1.00 3.39 H new ATOM 229 N ILE A 18 -0.501 -12.802 -3.773 1.00 0.59 N ATOM 230 CA ILE A 18 0.932 -12.371 -3.839 1.00 0.60 C ATOM 231 C ILE A 18 1.840 -13.400 -3.148 1.00 0.58 C ATOM 232 O ILE A 18 1.607 -13.799 -2.020 1.00 0.61 O ATOM 233 CB ILE A 18 1.085 -11.005 -3.152 1.00 0.65 C ATOM 234 CG1 ILE A 18 0.214 -9.966 -3.870 1.00 0.67 C ATOM 235 CG2 ILE A 18 2.549 -10.555 -3.210 1.00 0.78 C ATOM 236 CD1 ILE A 18 -1.095 -9.768 -3.101 1.00 0.66 C ATOM 0 H ILE A 18 -0.870 -12.937 -2.832 1.00 0.59 H new ATOM 0 HA ILE A 18 1.228 -12.295 -4.885 1.00 0.60 H new ATOM 0 HB ILE A 18 0.771 -11.094 -2.112 1.00 0.65 H new ATOM 0 HG12 ILE A 18 0.749 -9.019 -3.946 1.00 0.67 H new ATOM 0 HG13 ILE A 18 0.003 -10.295 -4.887 1.00 0.67 H new ATOM 0 HG21 ILE A 18 2.651 -9.586 -2.721 1.00 0.78 H new ATOM 0 HG22 ILE A 18 3.175 -11.287 -2.699 1.00 0.78 H new ATOM 0 HG23 ILE A 18 2.863 -10.472 -4.250 1.00 0.78 H new ATOM 0 HD11 ILE A 18 -1.710 -9.029 -3.614 1.00 0.66 H new ATOM 0 HD12 ILE A 18 -1.633 -10.715 -3.048 1.00 0.66 H new ATOM 0 HD13 ILE A 18 -0.875 -9.419 -2.092 1.00 0.66 H new ATOM 248 N THR A 19 2.884 -13.815 -3.829 1.00 0.59 N ATOM 249 CA THR A 19 3.848 -14.805 -3.251 1.00 0.61 C ATOM 250 C THR A 19 5.268 -14.226 -3.346 1.00 0.61 C ATOM 251 O THR A 19 5.585 -13.503 -4.273 1.00 0.64 O ATOM 252 CB THR A 19 3.785 -16.121 -4.043 1.00 0.67 C ATOM 253 OG1 THR A 19 2.437 -16.414 -4.398 1.00 0.77 O ATOM 254 CG2 THR A 19 4.349 -17.262 -3.190 1.00 0.84 C ATOM 0 H THR A 19 3.111 -13.505 -4.774 1.00 0.59 H new ATOM 0 HA THR A 19 3.589 -15.001 -2.211 1.00 0.61 H new ATOM 0 HB THR A 19 4.378 -16.017 -4.951 1.00 0.67 H new ATOM 0 HG1 THR A 19 2.407 -17.253 -4.904 1.00 0.77 H new ATOM 0 HG21 THR A 19 4.303 -18.194 -3.753 1.00 0.84 H new ATOM 0 HG22 THR A 19 5.385 -17.045 -2.931 1.00 0.84 H new ATOM 0 HG23 THR A 19 3.760 -17.360 -2.278 1.00 0.84 H new ATOM 262 N LEU A 20 6.126 -14.536 -2.400 1.00 0.70 N ATOM 263 CA LEU A 20 7.524 -13.997 -2.447 1.00 0.75 C ATOM 264 C LEU A 20 8.281 -14.627 -3.623 1.00 0.70 C ATOM 265 O LEU A 20 8.145 -15.807 -3.902 1.00 0.82 O ATOM 266 CB LEU A 20 8.255 -14.316 -1.137 1.00 0.96 C ATOM 267 CG LEU A 20 8.774 -13.015 -0.512 1.00 1.09 C ATOM 268 CD1 LEU A 20 9.121 -13.254 0.960 1.00 1.31 C ATOM 269 CD2 LEU A 20 10.026 -12.548 -1.262 1.00 1.19 C ATOM 0 H LEU A 20 5.919 -15.136 -1.601 1.00 0.70 H new ATOM 0 HA LEU A 20 7.483 -12.916 -2.578 1.00 0.75 H new ATOM 0 HB2 LEU A 20 7.581 -14.821 -0.445 1.00 0.96 H new ATOM 0 HB3 LEU A 20 9.085 -14.997 -1.327 1.00 0.96 H new ATOM 0 HG LEU A 20 8.002 -12.249 -0.583 1.00 1.09 H new ATOM 0 HD11 LEU A 20 9.490 -12.328 1.402 1.00 1.31 H new ATOM 0 HD12 LEU A 20 8.230 -13.582 1.495 1.00 1.31 H new ATOM 0 HD13 LEU A 20 9.891 -14.022 1.032 1.00 1.31 H new ATOM 0 HD21 LEU A 20 10.393 -11.623 -0.817 1.00 1.19 H new ATOM 0 HD22 LEU A 20 10.798 -13.315 -1.195 1.00 1.19 H new ATOM 0 HD23 LEU A 20 9.779 -12.373 -2.309 1.00 1.19 H new ATOM 281 N THR A 21 9.074 -13.842 -4.315 1.00 0.67 N ATOM 282 CA THR A 21 9.845 -14.372 -5.483 1.00 0.71 C ATOM 283 C THR A 21 11.155 -15.010 -5.005 1.00 0.81 C ATOM 284 O THR A 21 11.507 -16.098 -5.426 1.00 0.99 O ATOM 285 CB THR A 21 10.158 -13.228 -6.459 1.00 0.72 C ATOM 286 OG1 THR A 21 10.698 -12.120 -5.748 1.00 0.73 O ATOM 287 CG2 THR A 21 8.876 -12.804 -7.178 1.00 0.79 C ATOM 0 H THR A 21 9.220 -12.852 -4.119 1.00 0.67 H new ATOM 0 HA THR A 21 9.244 -15.128 -5.989 1.00 0.71 H new ATOM 0 HB THR A 21 10.888 -13.571 -7.192 1.00 0.72 H new ATOM 0 HG1 THR A 21 11.677 -12.171 -5.757 1.00 0.73 H new ATOM 0 HG21 THR A 21 9.099 -11.992 -7.870 1.00 0.79 H new ATOM 0 HG22 THR A 21 8.471 -13.652 -7.731 1.00 0.79 H new ATOM 0 HG23 THR A 21 8.143 -12.465 -6.446 1.00 0.79 H new ATOM 295 N SER A 22 11.878 -14.343 -4.135 1.00 0.84 N ATOM 296 CA SER A 22 13.170 -14.904 -3.630 1.00 1.03 C ATOM 297 C SER A 22 12.892 -16.000 -2.594 1.00 1.15 C ATOM 298 O SER A 22 13.362 -17.116 -2.722 1.00 1.38 O ATOM 299 CB SER A 22 13.997 -13.788 -2.982 1.00 1.13 C ATOM 300 OG SER A 22 15.118 -13.493 -3.804 1.00 1.36 O ATOM 0 H SER A 22 11.627 -13.431 -3.753 1.00 0.84 H new ATOM 0 HA SER A 22 13.725 -15.331 -4.466 1.00 1.03 H new ATOM 0 HB2 SER A 22 13.384 -12.896 -2.850 1.00 1.13 H new ATOM 0 HB3 SER A 22 14.330 -14.096 -1.991 1.00 1.13 H new ATOM 0 HG SER A 22 14.820 -13.360 -4.728 1.00 1.36 H new ATOM 306 N ASP A 23 12.137 -15.683 -1.567 1.00 1.12 N ATOM 307 CA ASP A 23 11.826 -16.691 -0.509 1.00 1.27 C ATOM 308 C ASP A 23 10.719 -17.642 -0.994 1.00 1.08 C ATOM 309 O ASP A 23 9.705 -17.198 -1.503 1.00 0.85 O ATOM 310 CB ASP A 23 11.353 -15.968 0.759 1.00 1.37 C ATOM 311 CG ASP A 23 11.679 -16.815 1.992 1.00 1.70 C ATOM 312 OD1 ASP A 23 10.846 -17.625 2.369 1.00 2.13 O ATOM 313 OD2 ASP A 23 12.756 -16.640 2.540 1.00 2.05 O ATOM 0 H ASP A 23 11.722 -14.763 -1.418 1.00 1.12 H new ATOM 0 HA ASP A 23 12.724 -17.269 -0.293 1.00 1.27 H new ATOM 0 HB2 ASP A 23 11.838 -14.995 0.836 1.00 1.37 H new ATOM 0 HB3 ASP A 23 10.280 -15.785 0.705 1.00 1.37 H new ATOM 318 N PRO A 24 10.945 -18.926 -0.806 1.00 1.29 N ATOM 319 CA PRO A 24 9.980 -19.971 -1.197 1.00 1.30 C ATOM 320 C PRO A 24 8.858 -20.035 -0.155 1.00 1.09 C ATOM 321 O PRO A 24 8.986 -20.678 0.874 1.00 1.31 O ATOM 322 CB PRO A 24 10.817 -21.255 -1.199 1.00 1.69 C ATOM 323 CG PRO A 24 12.029 -20.983 -0.276 1.00 1.84 C ATOM 324 CD PRO A 24 12.182 -19.453 -0.188 1.00 1.64 C ATOM 0 HA PRO A 24 9.502 -19.796 -2.161 1.00 1.30 H new ATOM 0 HB2 PRO A 24 10.233 -22.101 -0.835 1.00 1.69 H new ATOM 0 HB3 PRO A 24 11.145 -21.504 -2.208 1.00 1.69 H new ATOM 0 HG2 PRO A 24 11.867 -21.413 0.712 1.00 1.84 H new ATOM 0 HG3 PRO A 24 12.933 -21.440 -0.679 1.00 1.84 H new ATOM 0 HD2 PRO A 24 12.283 -19.122 0.846 1.00 1.64 H new ATOM 0 HD3 PRO A 24 13.070 -19.111 -0.720 1.00 1.64 H new ATOM 332 N LYS A 25 7.772 -19.347 -0.404 1.00 0.84 N ATOM 333 CA LYS A 25 6.645 -19.335 0.574 1.00 0.72 C ATOM 334 C LYS A 25 5.528 -20.271 0.110 1.00 0.83 C ATOM 335 O LYS A 25 5.010 -20.142 -0.986 1.00 0.98 O ATOM 336 CB LYS A 25 6.104 -17.910 0.697 1.00 0.65 C ATOM 337 CG LYS A 25 6.124 -17.485 2.167 1.00 0.70 C ATOM 338 CD LYS A 25 4.760 -16.916 2.558 1.00 1.23 C ATOM 339 CE LYS A 25 4.959 -15.695 3.457 1.00 1.25 C ATOM 340 NZ LYS A 25 4.098 -14.581 2.977 1.00 1.86 N ATOM 0 H LYS A 25 7.618 -18.792 -1.246 1.00 0.84 H new ATOM 0 HA LYS A 25 7.008 -19.679 1.543 1.00 0.72 H new ATOM 0 HB2 LYS A 25 6.709 -17.227 0.101 1.00 0.65 H new ATOM 0 HB3 LYS A 25 5.088 -17.860 0.306 1.00 0.65 H new ATOM 0 HG2 LYS A 25 6.367 -18.339 2.799 1.00 0.70 H new ATOM 0 HG3 LYS A 25 6.901 -16.737 2.329 1.00 0.70 H new ATOM 0 HD2 LYS A 25 4.200 -16.637 1.665 1.00 1.23 H new ATOM 0 HD3 LYS A 25 4.173 -17.673 3.078 1.00 1.23 H new ATOM 0 HE2 LYS A 25 4.708 -15.944 4.488 1.00 1.25 H new ATOM 0 HE3 LYS A 25 6.005 -15.390 3.448 1.00 1.25 H new ATOM 0 HZ1 LYS A 25 3.783 -14.011 3.788 1.00 1.86 H new ATOM 0 HZ2 LYS A 25 4.639 -13.982 2.322 1.00 1.86 H new ATOM 0 HZ3 LYS A 25 3.269 -14.970 2.485 1.00 1.86 H new ATOM 354 N LEU A 26 5.149 -21.206 0.949 1.00 0.87 N ATOM 355 CA LEU A 26 4.052 -22.157 0.588 1.00 1.07 C ATOM 356 C LEU A 26 2.727 -21.386 0.460 1.00 1.12 C ATOM 357 O LEU A 26 2.091 -21.442 -0.576 1.00 1.26 O ATOM 358 CB LEU A 26 3.925 -23.238 1.669 1.00 1.16 C ATOM 359 CG LEU A 26 4.422 -24.579 1.121 1.00 1.35 C ATOM 360 CD1 LEU A 26 5.371 -25.227 2.133 1.00 1.71 C ATOM 361 CD2 LEU A 26 3.227 -25.505 0.874 1.00 1.50 C ATOM 0 H LEU A 26 5.555 -21.351 1.873 1.00 0.87 H new ATOM 0 HA LEU A 26 4.285 -22.634 -0.364 1.00 1.07 H new ATOM 0 HB2 LEU A 26 4.505 -22.956 2.548 1.00 1.16 H new ATOM 0 HB3 LEU A 26 2.886 -23.327 1.987 1.00 1.16 H new ATOM 0 HG LEU A 26 4.952 -24.413 0.183 1.00 1.35 H new ATOM 0 HD11 LEU A 26 5.724 -26.181 1.742 1.00 1.71 H new ATOM 0 HD12 LEU A 26 6.222 -24.569 2.307 1.00 1.71 H new ATOM 0 HD13 LEU A 26 4.843 -25.393 3.072 1.00 1.71 H new ATOM 0 HD21 LEU A 26 3.581 -26.459 0.484 1.00 1.50 H new ATOM 0 HD22 LEU A 26 2.695 -25.671 1.811 1.00 1.50 H new ATOM 0 HD23 LEU A 26 2.553 -25.045 0.151 1.00 1.50 H new ATOM 373 N PRO A 27 2.353 -20.677 1.512 1.00 1.07 N ATOM 374 CA PRO A 27 1.112 -19.875 1.529 1.00 1.18 C ATOM 375 C PRO A 27 1.316 -18.556 0.767 1.00 1.06 C ATOM 376 O PRO A 27 2.433 -18.162 0.473 1.00 1.16 O ATOM 377 CB PRO A 27 0.869 -19.616 3.019 1.00 1.23 C ATOM 378 CG PRO A 27 2.238 -19.776 3.720 1.00 1.09 C ATOM 379 CD PRO A 27 3.123 -20.610 2.776 1.00 0.98 C ATOM 0 HA PRO A 27 0.271 -20.375 1.048 1.00 1.18 H new ATOM 0 HB2 PRO A 27 0.466 -18.616 3.178 1.00 1.23 H new ATOM 0 HB3 PRO A 27 0.142 -20.321 3.422 1.00 1.23 H new ATOM 0 HG2 PRO A 27 2.689 -18.803 3.915 1.00 1.09 H new ATOM 0 HG3 PRO A 27 2.124 -20.273 4.683 1.00 1.09 H new ATOM 0 HD2 PRO A 27 4.095 -20.141 2.625 1.00 0.98 H new ATOM 0 HD3 PRO A 27 3.309 -21.605 3.181 1.00 0.98 H new ATOM 387 N PHE A 28 0.242 -17.875 0.444 1.00 0.96 N ATOM 388 CA PHE A 28 0.359 -16.581 -0.302 1.00 0.86 C ATOM 389 C PHE A 28 -0.592 -15.537 0.300 1.00 0.82 C ATOM 390 O PHE A 28 -1.529 -15.866 1.009 1.00 0.95 O ATOM 391 CB PHE A 28 0.015 -16.800 -1.785 1.00 0.88 C ATOM 392 CG PHE A 28 -1.181 -17.719 -1.920 1.00 0.97 C ATOM 393 CD1 PHE A 28 -2.477 -17.210 -1.781 1.00 1.06 C ATOM 394 CD2 PHE A 28 -0.989 -19.080 -2.187 1.00 1.19 C ATOM 395 CE1 PHE A 28 -3.582 -18.062 -1.908 1.00 1.26 C ATOM 396 CE2 PHE A 28 -2.093 -19.932 -2.314 1.00 1.37 C ATOM 397 CZ PHE A 28 -3.389 -19.422 -2.174 1.00 1.38 C ATOM 0 H PHE A 28 -0.712 -18.160 0.665 1.00 0.96 H new ATOM 0 HA PHE A 28 1.384 -16.218 -0.220 1.00 0.86 H new ATOM 0 HB2 PHE A 28 -0.199 -15.843 -2.260 1.00 0.88 H new ATOM 0 HB3 PHE A 28 0.872 -17.229 -2.304 1.00 0.88 H new ATOM 0 HD1 PHE A 28 -2.626 -16.160 -1.576 1.00 1.06 H new ATOM 0 HD2 PHE A 28 0.011 -19.473 -2.295 1.00 1.19 H new ATOM 0 HE1 PHE A 28 -4.582 -17.669 -1.801 1.00 1.26 H new ATOM 0 HE2 PHE A 28 -1.945 -20.982 -2.520 1.00 1.37 H new ATOM 0 HZ PHE A 28 -4.241 -20.079 -2.271 1.00 1.38 H new ATOM 407 N LYS A 29 -0.349 -14.276 0.021 1.00 0.72 N ATOM 408 CA LYS A 29 -1.222 -13.191 0.568 1.00 0.70 C ATOM 409 C LYS A 29 -2.495 -13.071 -0.275 1.00 0.67 C ATOM 410 O LYS A 29 -2.443 -12.791 -1.460 1.00 0.67 O ATOM 411 CB LYS A 29 -0.463 -11.860 0.536 1.00 0.65 C ATOM 412 CG LYS A 29 -0.718 -11.088 1.833 1.00 0.64 C ATOM 413 CD LYS A 29 -1.988 -10.245 1.688 1.00 0.73 C ATOM 414 CE LYS A 29 -2.468 -9.800 3.071 1.00 0.82 C ATOM 415 NZ LYS A 29 -3.951 -9.645 3.058 1.00 0.92 N ATOM 0 H LYS A 29 0.421 -13.953 -0.565 1.00 0.72 H new ATOM 0 HA LYS A 29 -1.493 -13.434 1.595 1.00 0.70 H new ATOM 0 HB2 LYS A 29 0.605 -12.042 0.414 1.00 0.65 H new ATOM 0 HB3 LYS A 29 -0.785 -11.267 -0.320 1.00 0.65 H new ATOM 0 HG2 LYS A 29 -0.824 -11.782 2.667 1.00 0.64 H new ATOM 0 HG3 LYS A 29 0.133 -10.446 2.059 1.00 0.64 H new ATOM 0 HD2 LYS A 29 -1.789 -9.374 1.063 1.00 0.73 H new ATOM 0 HD3 LYS A 29 -2.766 -10.824 1.190 1.00 0.73 H new ATOM 0 HE2 LYS A 29 -2.175 -10.533 3.822 1.00 0.82 H new ATOM 0 HE3 LYS A 29 -1.996 -8.857 3.345 1.00 0.82 H new ATOM 0 HZ1 LYS A 29 -4.316 -9.713 4.030 1.00 0.92 H new ATOM 0 HZ2 LYS A 29 -4.200 -8.717 2.659 1.00 0.92 H new ATOM 0 HZ3 LYS A 29 -4.373 -10.396 2.476 1.00 0.92 H new ATOM 429 N VAL A 30 -3.638 -13.273 0.336 1.00 0.69 N ATOM 430 CA VAL A 30 -4.931 -13.161 -0.408 1.00 0.67 C ATOM 431 C VAL A 30 -5.554 -11.793 -0.108 1.00 0.64 C ATOM 432 O VAL A 30 -5.819 -11.463 1.035 1.00 0.75 O ATOM 433 CB VAL A 30 -5.882 -14.281 0.039 1.00 0.75 C ATOM 434 CG1 VAL A 30 -7.169 -14.225 -0.791 1.00 0.80 C ATOM 435 CG2 VAL A 30 -5.206 -15.641 -0.165 1.00 0.83 C ATOM 0 H VAL A 30 -3.730 -13.512 1.323 1.00 0.69 H new ATOM 0 HA VAL A 30 -4.755 -13.257 -1.479 1.00 0.67 H new ATOM 0 HB VAL A 30 -6.123 -14.148 1.094 1.00 0.75 H new ATOM 0 HG11 VAL A 30 -7.842 -15.021 -0.472 1.00 0.80 H new ATOM 0 HG12 VAL A 30 -7.654 -13.260 -0.646 1.00 0.80 H new ATOM 0 HG13 VAL A 30 -6.928 -14.355 -1.846 1.00 0.80 H new ATOM 0 HG21 VAL A 30 -5.882 -16.435 0.153 1.00 0.83 H new ATOM 0 HG22 VAL A 30 -4.963 -15.772 -1.219 1.00 0.83 H new ATOM 0 HG23 VAL A 30 -4.291 -15.685 0.426 1.00 0.83 H new ATOM 445 N LEU A 31 -5.775 -10.993 -1.124 1.00 0.59 N ATOM 446 CA LEU A 31 -6.366 -9.637 -0.905 1.00 0.57 C ATOM 447 C LEU A 31 -7.719 -9.532 -1.618 1.00 0.56 C ATOM 448 O LEU A 31 -7.791 -9.504 -2.833 1.00 0.67 O ATOM 449 CB LEU A 31 -5.409 -8.574 -1.456 1.00 0.57 C ATOM 450 CG LEU A 31 -4.721 -7.853 -0.294 1.00 0.63 C ATOM 451 CD1 LEU A 31 -3.225 -7.718 -0.587 1.00 0.72 C ATOM 452 CD2 LEU A 31 -5.338 -6.463 -0.121 1.00 0.83 C ATOM 0 H LEU A 31 -5.571 -11.222 -2.097 1.00 0.59 H new ATOM 0 HA LEU A 31 -6.517 -9.478 0.163 1.00 0.57 H new ATOM 0 HB2 LEU A 31 -4.664 -9.040 -2.101 1.00 0.57 H new ATOM 0 HB3 LEU A 31 -5.958 -7.858 -2.068 1.00 0.57 H new ATOM 0 HG LEU A 31 -4.858 -8.428 0.622 1.00 0.63 H new ATOM 0 HD11 LEU A 31 -2.737 -7.204 0.241 1.00 0.72 H new ATOM 0 HD12 LEU A 31 -2.787 -8.709 -0.708 1.00 0.72 H new ATOM 0 HD13 LEU A 31 -3.084 -7.144 -1.503 1.00 0.72 H new ATOM 0 HD21 LEU A 31 -4.849 -5.948 0.706 1.00 0.83 H new ATOM 0 HD22 LEU A 31 -5.202 -5.888 -1.037 1.00 0.83 H new ATOM 0 HD23 LEU A 31 -6.403 -6.561 0.091 1.00 0.83 H new ATOM 464 N SER A 32 -8.790 -9.464 -0.861 1.00 0.60 N ATOM 465 CA SER A 32 -10.147 -9.349 -1.475 1.00 0.61 C ATOM 466 C SER A 32 -10.661 -7.916 -1.289 1.00 0.60 C ATOM 467 O SER A 32 -11.136 -7.546 -0.229 1.00 0.67 O ATOM 468 CB SER A 32 -11.105 -10.337 -0.801 1.00 0.70 C ATOM 469 OG SER A 32 -10.922 -11.630 -1.365 1.00 0.85 O ATOM 0 H SER A 32 -8.779 -9.484 0.159 1.00 0.60 H new ATOM 0 HA SER A 32 -10.090 -9.582 -2.538 1.00 0.61 H new ATOM 0 HB2 SER A 32 -10.919 -10.367 0.273 1.00 0.70 H new ATOM 0 HB3 SER A 32 -12.136 -10.011 -0.937 1.00 0.70 H new ATOM 0 HG SER A 32 -11.533 -12.264 -0.934 1.00 0.85 H new ATOM 475 N VAL A 33 -10.559 -7.107 -2.317 1.00 0.55 N ATOM 476 CA VAL A 33 -11.030 -5.687 -2.223 1.00 0.55 C ATOM 477 C VAL A 33 -11.857 -5.333 -3.467 1.00 0.50 C ATOM 478 O VAL A 33 -11.747 -5.987 -4.486 1.00 0.47 O ATOM 479 CB VAL A 33 -9.822 -4.739 -2.125 1.00 0.56 C ATOM 480 CG1 VAL A 33 -9.143 -4.905 -0.762 1.00 0.72 C ATOM 481 CG2 VAL A 33 -8.813 -5.051 -3.241 1.00 0.53 C ATOM 0 H VAL A 33 -10.168 -7.370 -3.222 1.00 0.55 H new ATOM 0 HA VAL A 33 -11.647 -5.576 -1.332 1.00 0.55 H new ATOM 0 HB VAL A 33 -10.171 -3.712 -2.235 1.00 0.56 H new ATOM 0 HG11 VAL A 33 -8.288 -4.232 -0.697 1.00 0.72 H new ATOM 0 HG12 VAL A 33 -9.853 -4.667 0.030 1.00 0.72 H new ATOM 0 HG13 VAL A 33 -8.804 -5.934 -0.648 1.00 0.72 H new ATOM 0 HG21 VAL A 33 -7.962 -4.374 -3.162 1.00 0.53 H new ATOM 0 HG22 VAL A 33 -8.468 -6.080 -3.142 1.00 0.53 H new ATOM 0 HG23 VAL A 33 -9.292 -4.920 -4.211 1.00 0.53 H new ATOM 491 N PRO A 34 -12.658 -4.298 -3.346 1.00 0.52 N ATOM 492 CA PRO A 34 -13.515 -3.823 -4.451 1.00 0.50 C ATOM 493 C PRO A 34 -12.676 -3.102 -5.517 1.00 0.44 C ATOM 494 O PRO A 34 -11.546 -2.713 -5.275 1.00 0.44 O ATOM 495 CB PRO A 34 -14.494 -2.864 -3.765 1.00 0.58 C ATOM 496 CG PRO A 34 -13.816 -2.417 -2.450 1.00 0.62 C ATOM 497 CD PRO A 34 -12.778 -3.499 -2.106 1.00 0.60 C ATOM 0 HA PRO A 34 -14.025 -4.631 -4.976 1.00 0.50 H new ATOM 0 HB2 PRO A 34 -14.709 -2.006 -4.402 1.00 0.58 H new ATOM 0 HB3 PRO A 34 -15.445 -3.358 -3.564 1.00 0.58 H new ATOM 0 HG2 PRO A 34 -13.338 -1.445 -2.571 1.00 0.62 H new ATOM 0 HG3 PRO A 34 -14.550 -2.314 -1.650 1.00 0.62 H new ATOM 0 HD2 PRO A 34 -11.822 -3.058 -1.823 1.00 0.60 H new ATOM 0 HD3 PRO A 34 -13.106 -4.113 -1.267 1.00 0.60 H new ATOM 505 N GLU A 35 -13.229 -2.930 -6.695 1.00 0.44 N ATOM 506 CA GLU A 35 -12.486 -2.242 -7.799 1.00 0.43 C ATOM 507 C GLU A 35 -12.111 -0.812 -7.376 1.00 0.43 C ATOM 508 O GLU A 35 -11.115 -0.273 -7.822 1.00 0.48 O ATOM 509 CB GLU A 35 -13.366 -2.191 -9.052 1.00 0.47 C ATOM 510 CG GLU A 35 -13.329 -3.550 -9.764 1.00 0.46 C ATOM 511 CD GLU A 35 -14.460 -4.443 -9.244 1.00 0.51 C ATOM 512 OE1 GLU A 35 -15.577 -4.289 -9.712 1.00 0.75 O ATOM 513 OE2 GLU A 35 -14.190 -5.270 -8.387 1.00 0.58 O ATOM 0 H GLU A 35 -14.170 -3.239 -6.940 1.00 0.44 H new ATOM 0 HA GLU A 35 -11.574 -2.798 -8.013 1.00 0.43 H new ATOM 0 HB2 GLU A 35 -14.391 -1.940 -8.779 1.00 0.47 H new ATOM 0 HB3 GLU A 35 -13.015 -1.408 -9.724 1.00 0.47 H new ATOM 0 HG2 GLU A 35 -13.431 -3.409 -10.840 1.00 0.46 H new ATOM 0 HG3 GLU A 35 -12.366 -4.033 -9.595 1.00 0.46 H new ATOM 520 N SER A 36 -12.901 -0.200 -6.517 1.00 0.45 N ATOM 521 CA SER A 36 -12.598 1.192 -6.055 1.00 0.49 C ATOM 522 C SER A 36 -11.252 1.217 -5.314 1.00 0.45 C ATOM 523 O SER A 36 -10.489 2.158 -5.443 1.00 0.48 O ATOM 524 CB SER A 36 -13.708 1.673 -5.115 1.00 0.57 C ATOM 525 OG SER A 36 -14.390 2.769 -5.713 1.00 1.08 O ATOM 0 H SER A 36 -13.745 -0.610 -6.117 1.00 0.45 H new ATOM 0 HA SER A 36 -12.542 1.851 -6.921 1.00 0.49 H new ATOM 0 HB2 SER A 36 -14.407 0.861 -4.914 1.00 0.57 H new ATOM 0 HB3 SER A 36 -13.284 1.973 -4.157 1.00 0.57 H new ATOM 0 HG SER A 36 -15.102 3.077 -5.114 1.00 1.08 H new ATOM 531 N THR A 37 -10.957 0.191 -4.543 1.00 0.44 N ATOM 532 CA THR A 37 -9.660 0.149 -3.794 1.00 0.42 C ATOM 533 C THR A 37 -8.495 0.136 -4.798 1.00 0.36 C ATOM 534 O THR A 37 -8.450 -0.705 -5.676 1.00 0.35 O ATOM 535 CB THR A 37 -9.610 -1.118 -2.923 1.00 0.46 C ATOM 536 OG1 THR A 37 -10.685 -1.096 -1.992 1.00 0.56 O ATOM 537 CG2 THR A 37 -8.279 -1.176 -2.167 1.00 0.52 C ATOM 0 H THR A 37 -11.561 -0.619 -4.402 1.00 0.44 H new ATOM 0 HA THR A 37 -9.577 1.027 -3.154 1.00 0.42 H new ATOM 0 HB THR A 37 -9.698 -1.997 -3.561 1.00 0.46 H new ATOM 0 HG1 THR A 37 -10.423 -1.576 -1.179 1.00 0.56 H new ATOM 0 HG21 THR A 37 -8.249 -2.075 -1.552 1.00 0.52 H new ATOM 0 HG22 THR A 37 -7.456 -1.197 -2.881 1.00 0.52 H new ATOM 0 HG23 THR A 37 -8.184 -0.297 -1.530 1.00 0.52 H new ATOM 545 N PRO A 38 -7.591 1.079 -4.641 1.00 0.35 N ATOM 546 CA PRO A 38 -6.414 1.216 -5.525 1.00 0.33 C ATOM 547 C PRO A 38 -5.325 0.190 -5.171 1.00 0.31 C ATOM 548 O PRO A 38 -5.324 -0.394 -4.096 1.00 0.34 O ATOM 549 CB PRO A 38 -5.924 2.641 -5.251 1.00 0.40 C ATOM 550 CG PRO A 38 -6.467 3.031 -3.856 1.00 0.45 C ATOM 551 CD PRO A 38 -7.658 2.098 -3.569 1.00 0.43 C ATOM 0 HA PRO A 38 -6.655 1.039 -6.573 1.00 0.33 H new ATOM 0 HB2 PRO A 38 -4.835 2.687 -5.270 1.00 0.40 H new ATOM 0 HB3 PRO A 38 -6.286 3.329 -6.015 1.00 0.40 H new ATOM 0 HG2 PRO A 38 -5.695 2.919 -3.095 1.00 0.45 H new ATOM 0 HG3 PRO A 38 -6.780 4.075 -3.840 1.00 0.45 H new ATOM 0 HD2 PRO A 38 -7.578 1.643 -2.582 1.00 0.43 H new ATOM 0 HD3 PRO A 38 -8.603 2.640 -3.594 1.00 0.43 H new ATOM 559 N PHE A 39 -4.388 -0.020 -6.071 1.00 0.29 N ATOM 560 CA PHE A 39 -3.284 -0.993 -5.804 1.00 0.30 C ATOM 561 C PHE A 39 -2.394 -0.473 -4.663 1.00 0.30 C ATOM 562 O PHE A 39 -1.653 -1.229 -4.068 1.00 0.34 O ATOM 563 CB PHE A 39 -2.443 -1.192 -7.070 1.00 0.31 C ATOM 564 CG PHE A 39 -1.799 -2.561 -7.036 1.00 0.35 C ATOM 565 CD1 PHE A 39 -2.598 -3.713 -7.031 1.00 0.38 C ATOM 566 CD2 PHE A 39 -0.404 -2.679 -7.008 1.00 0.47 C ATOM 567 CE1 PHE A 39 -2.001 -4.978 -6.999 1.00 0.46 C ATOM 568 CE2 PHE A 39 0.192 -3.945 -6.976 1.00 0.56 C ATOM 569 CZ PHE A 39 -0.608 -5.095 -6.972 1.00 0.54 C ATOM 0 H PHE A 39 -4.344 0.443 -6.979 1.00 0.29 H new ATOM 0 HA PHE A 39 -3.717 -1.949 -5.512 1.00 0.30 H new ATOM 0 HB2 PHE A 39 -3.071 -1.095 -7.956 1.00 0.31 H new ATOM 0 HB3 PHE A 39 -1.677 -0.419 -7.136 1.00 0.31 H new ATOM 0 HD1 PHE A 39 -3.674 -3.624 -7.052 1.00 0.38 H new ATOM 0 HD2 PHE A 39 0.213 -1.792 -7.011 1.00 0.47 H new ATOM 0 HE1 PHE A 39 -2.617 -5.865 -6.995 1.00 0.46 H new ATOM 0 HE2 PHE A 39 1.268 -4.035 -6.954 1.00 0.56 H new ATOM 0 HZ PHE A 39 -0.149 -6.072 -6.948 1.00 0.54 H new ATOM 579 N THR A 40 -2.474 0.804 -4.342 1.00 0.30 N ATOM 580 CA THR A 40 -1.650 1.356 -3.219 1.00 0.33 C ATOM 581 C THR A 40 -2.027 0.619 -1.930 1.00 0.34 C ATOM 582 O THR A 40 -1.171 0.185 -1.181 1.00 0.38 O ATOM 583 CB THR A 40 -1.925 2.859 -3.042 1.00 0.37 C ATOM 584 OG1 THR A 40 -3.310 3.125 -3.233 1.00 0.62 O ATOM 585 CG2 THR A 40 -1.108 3.657 -4.058 1.00 0.74 C ATOM 0 H THR A 40 -3.074 1.483 -4.811 1.00 0.30 H new ATOM 0 HA THR A 40 -0.592 1.218 -3.444 1.00 0.33 H new ATOM 0 HB THR A 40 -1.638 3.155 -2.033 1.00 0.37 H new ATOM 0 HG1 THR A 40 -3.478 4.084 -3.117 1.00 0.62 H new ATOM 0 HG21 THR A 40 -1.306 4.721 -3.929 1.00 0.74 H new ATOM 0 HG22 THR A 40 -0.046 3.464 -3.903 1.00 0.74 H new ATOM 0 HG23 THR A 40 -1.388 3.356 -5.067 1.00 0.74 H new ATOM 593 N ALA A 41 -3.310 0.464 -1.684 1.00 0.35 N ATOM 594 CA ALA A 41 -3.773 -0.256 -0.461 1.00 0.38 C ATOM 595 C ALA A 41 -3.554 -1.763 -0.643 1.00 0.38 C ATOM 596 O ALA A 41 -3.192 -2.457 0.290 1.00 0.41 O ATOM 597 CB ALA A 41 -5.262 0.021 -0.235 1.00 0.42 C ATOM 0 H ALA A 41 -4.058 0.810 -2.286 1.00 0.35 H new ATOM 0 HA ALA A 41 -3.206 0.093 0.402 1.00 0.38 H new ATOM 0 HB1 ALA A 41 -5.599 -0.505 0.658 1.00 0.42 H new ATOM 0 HB2 ALA A 41 -5.417 1.092 -0.105 1.00 0.42 H new ATOM 0 HB3 ALA A 41 -5.832 -0.326 -1.097 1.00 0.42 H new ATOM 603 N VAL A 42 -3.765 -2.272 -1.842 1.00 0.38 N ATOM 604 CA VAL A 42 -3.560 -3.736 -2.093 1.00 0.40 C ATOM 605 C VAL A 42 -2.095 -4.094 -1.803 1.00 0.39 C ATOM 606 O VAL A 42 -1.811 -5.009 -1.052 1.00 0.45 O ATOM 607 CB VAL A 42 -3.897 -4.063 -3.556 1.00 0.42 C ATOM 608 CG1 VAL A 42 -3.623 -5.546 -3.831 1.00 0.47 C ATOM 609 CG2 VAL A 42 -5.378 -3.764 -3.818 1.00 0.45 C ATOM 0 H VAL A 42 -4.070 -1.734 -2.653 1.00 0.38 H new ATOM 0 HA VAL A 42 -4.214 -4.316 -1.441 1.00 0.40 H new ATOM 0 HB VAL A 42 -3.277 -3.452 -4.213 1.00 0.42 H new ATOM 0 HG11 VAL A 42 -3.863 -5.774 -4.869 1.00 0.47 H new ATOM 0 HG12 VAL A 42 -2.571 -5.762 -3.646 1.00 0.47 H new ATOM 0 HG13 VAL A 42 -4.240 -6.158 -3.173 1.00 0.47 H new ATOM 0 HG21 VAL A 42 -5.618 -3.996 -4.856 1.00 0.45 H new ATOM 0 HG22 VAL A 42 -5.995 -4.374 -3.158 1.00 0.45 H new ATOM 0 HG23 VAL A 42 -5.576 -2.709 -3.627 1.00 0.45 H new ATOM 619 N LEU A 43 -1.169 -3.361 -2.381 1.00 0.37 N ATOM 620 CA LEU A 43 0.285 -3.624 -2.137 1.00 0.38 C ATOM 621 C LEU A 43 0.597 -3.385 -0.654 1.00 0.37 C ATOM 622 O LEU A 43 1.439 -4.048 -0.075 1.00 0.42 O ATOM 623 CB LEU A 43 1.124 -2.670 -2.998 1.00 0.38 C ATOM 624 CG LEU A 43 2.555 -3.205 -3.125 1.00 0.41 C ATOM 625 CD1 LEU A 43 2.996 -3.146 -4.589 1.00 0.48 C ATOM 626 CD2 LEU A 43 3.500 -2.349 -2.274 1.00 0.53 C ATOM 0 H LEU A 43 -1.362 -2.586 -3.016 1.00 0.37 H new ATOM 0 HA LEU A 43 0.524 -4.655 -2.399 1.00 0.38 H new ATOM 0 HB2 LEU A 43 0.675 -2.568 -3.986 1.00 0.38 H new ATOM 0 HB3 LEU A 43 1.136 -1.677 -2.549 1.00 0.38 H new ATOM 0 HG LEU A 43 2.586 -4.237 -2.777 1.00 0.41 H new ATOM 0 HD11 LEU A 43 4.014 -3.527 -4.678 1.00 0.48 H new ATOM 0 HD12 LEU A 43 2.326 -3.755 -5.196 1.00 0.48 H new ATOM 0 HD13 LEU A 43 2.963 -2.114 -4.938 1.00 0.48 H new ATOM 0 HD21 LEU A 43 4.517 -2.730 -2.365 1.00 0.53 H new ATOM 0 HD22 LEU A 43 3.467 -1.316 -2.621 1.00 0.53 H new ATOM 0 HD23 LEU A 43 3.189 -2.391 -1.230 1.00 0.53 H new ATOM 638 N LYS A 44 -0.085 -2.440 -0.041 1.00 0.38 N ATOM 639 CA LYS A 44 0.142 -2.136 1.405 1.00 0.40 C ATOM 640 C LYS A 44 -0.147 -3.383 2.251 1.00 0.40 C ATOM 641 O LYS A 44 0.665 -3.792 3.059 1.00 0.43 O ATOM 642 CB LYS A 44 -0.802 -1.006 1.832 1.00 0.44 C ATOM 643 CG LYS A 44 -0.232 -0.287 3.055 1.00 0.90 C ATOM 644 CD LYS A 44 0.028 1.181 2.706 1.00 1.25 C ATOM 645 CE LYS A 44 1.254 1.682 3.471 1.00 2.23 C ATOM 646 NZ LYS A 44 2.494 1.151 2.833 1.00 3.04 N ATOM 0 H LYS A 44 -0.796 -1.863 -0.490 1.00 0.38 H new ATOM 0 HA LYS A 44 1.179 -1.833 1.554 1.00 0.40 H new ATOM 0 HB2 LYS A 44 -0.932 -0.300 1.012 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -1.787 -1.411 2.064 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -0.930 -0.356 3.889 1.00 0.90 H new ATOM 0 HG3 LYS A 44 0.694 -0.766 3.374 1.00 0.90 H new ATOM 0 HD2 LYS A 44 0.188 1.287 1.633 1.00 1.25 H new ATOM 0 HD3 LYS A 44 -0.843 1.785 2.960 1.00 1.25 H new ATOM 0 HE2 LYS A 44 1.273 2.772 3.474 1.00 2.23 H new ATOM 0 HE3 LYS A 44 1.202 1.361 4.511 1.00 2.23 H new ATOM 0 HZ1 LYS A 44 3.285 1.800 3.018 1.00 3.04 H new ATOM 0 HZ2 LYS A 44 2.715 0.215 3.229 1.00 3.04 H new ATOM 0 HZ3 LYS A 44 2.348 1.067 1.807 1.00 3.04 H new ATOM 660 N PHE A 45 -1.303 -3.980 2.067 1.00 0.40 N ATOM 661 CA PHE A 45 -1.668 -5.201 2.853 1.00 0.43 C ATOM 662 C PHE A 45 -0.736 -6.361 2.488 1.00 0.42 C ATOM 663 O PHE A 45 -0.311 -7.112 3.349 1.00 0.45 O ATOM 664 CB PHE A 45 -3.116 -5.590 2.541 1.00 0.48 C ATOM 665 CG PHE A 45 -4.044 -4.870 3.492 1.00 0.74 C ATOM 666 CD1 PHE A 45 -4.135 -5.284 4.827 1.00 1.20 C ATOM 667 CD2 PHE A 45 -4.810 -3.788 3.041 1.00 1.01 C ATOM 668 CE1 PHE A 45 -4.991 -4.616 5.710 1.00 1.58 C ATOM 669 CE2 PHE A 45 -5.667 -3.121 3.925 1.00 1.39 C ATOM 670 CZ PHE A 45 -5.757 -3.534 5.259 1.00 1.58 C ATOM 0 H PHE A 45 -2.012 -3.671 1.402 1.00 0.40 H new ATOM 0 HA PHE A 45 -1.565 -4.986 3.917 1.00 0.43 H new ATOM 0 HB2 PHE A 45 -3.360 -5.331 1.511 1.00 0.48 H new ATOM 0 HB3 PHE A 45 -3.244 -6.668 2.637 1.00 0.48 H new ATOM 0 HD1 PHE A 45 -3.545 -6.119 5.175 1.00 1.20 H new ATOM 0 HD2 PHE A 45 -4.740 -3.468 2.012 1.00 1.01 H new ATOM 0 HE1 PHE A 45 -5.061 -4.935 6.739 1.00 1.58 H new ATOM 0 HE2 PHE A 45 -6.259 -2.287 3.577 1.00 1.39 H new ATOM 0 HZ PHE A 45 -6.417 -3.018 5.941 1.00 1.58 H new ATOM 680 N ALA A 46 -0.413 -6.510 1.223 1.00 0.41 N ATOM 681 CA ALA A 46 0.499 -7.617 0.796 1.00 0.43 C ATOM 682 C ALA A 46 1.860 -7.449 1.482 1.00 0.41 C ATOM 683 O ALA A 46 2.395 -8.384 2.047 1.00 0.44 O ATOM 684 CB ALA A 46 0.681 -7.575 -0.724 1.00 0.47 C ATOM 0 H ALA A 46 -0.744 -5.910 0.467 1.00 0.41 H new ATOM 0 HA ALA A 46 0.065 -8.576 1.080 1.00 0.43 H new ATOM 0 HB1 ALA A 46 1.345 -8.382 -1.033 1.00 0.47 H new ATOM 0 HB2 ALA A 46 -0.287 -7.696 -1.210 1.00 0.47 H new ATOM 0 HB3 ALA A 46 1.115 -6.617 -1.012 1.00 0.47 H new ATOM 690 N ALA A 47 2.415 -6.258 1.444 1.00 0.42 N ATOM 691 CA ALA A 47 3.740 -6.013 2.098 1.00 0.43 C ATOM 692 C ALA A 47 3.609 -6.163 3.623 1.00 0.42 C ATOM 693 O ALA A 47 4.530 -6.606 4.284 1.00 0.47 O ATOM 694 CB ALA A 47 4.218 -4.596 1.762 1.00 0.46 C ATOM 0 H ALA A 47 2.005 -5.444 0.986 1.00 0.42 H new ATOM 0 HA ALA A 47 4.462 -6.741 1.729 1.00 0.43 H new ATOM 0 HB1 ALA A 47 5.182 -4.415 2.237 1.00 0.46 H new ATOM 0 HB2 ALA A 47 4.321 -4.493 0.682 1.00 0.46 H new ATOM 0 HB3 ALA A 47 3.492 -3.871 2.128 1.00 0.46 H new ATOM 700 N GLU A 48 2.471 -5.803 4.181 1.00 0.43 N ATOM 701 CA GLU A 48 2.268 -5.926 5.661 1.00 0.45 C ATOM 702 C GLU A 48 2.416 -7.394 6.081 1.00 0.43 C ATOM 703 O GLU A 48 3.139 -7.713 7.007 1.00 0.47 O ATOM 704 CB GLU A 48 0.860 -5.441 6.029 1.00 0.48 C ATOM 705 CG GLU A 48 0.906 -3.963 6.424 1.00 0.58 C ATOM 706 CD GLU A 48 -0.509 -3.374 6.372 1.00 0.64 C ATOM 707 OE1 GLU A 48 -1.220 -3.502 7.356 1.00 0.88 O ATOM 708 OE2 GLU A 48 -0.858 -2.806 5.349 1.00 0.76 O ATOM 0 H GLU A 48 1.672 -5.428 3.669 1.00 0.43 H new ATOM 0 HA GLU A 48 3.013 -5.319 6.176 1.00 0.45 H new ATOM 0 HB2 GLU A 48 0.185 -5.580 5.184 1.00 0.48 H new ATOM 0 HB3 GLU A 48 0.465 -6.035 6.853 1.00 0.48 H new ATOM 0 HG2 GLU A 48 1.319 -3.857 7.427 1.00 0.58 H new ATOM 0 HG3 GLU A 48 1.564 -3.416 5.749 1.00 0.58 H new ATOM 715 N GLU A 49 1.732 -8.282 5.397 1.00 0.43 N ATOM 716 CA GLU A 49 1.812 -9.738 5.732 1.00 0.44 C ATOM 717 C GLU A 49 3.207 -10.284 5.375 1.00 0.41 C ATOM 718 O GLU A 49 3.701 -11.194 6.014 1.00 0.43 O ATOM 719 CB GLU A 49 0.739 -10.491 4.936 1.00 0.52 C ATOM 720 CG GLU A 49 0.655 -11.946 5.411 1.00 0.62 C ATOM 721 CD GLU A 49 1.151 -12.879 4.299 1.00 0.66 C ATOM 722 OE1 GLU A 49 2.315 -12.785 3.949 1.00 0.80 O ATOM 723 OE2 GLU A 49 0.359 -13.672 3.817 1.00 0.90 O ATOM 0 H GLU A 49 1.117 -8.057 4.615 1.00 0.43 H new ATOM 0 HA GLU A 49 1.645 -9.878 6.800 1.00 0.44 H new ATOM 0 HB2 GLU A 49 -0.228 -10.003 5.062 1.00 0.52 H new ATOM 0 HB3 GLU A 49 0.976 -10.461 3.872 1.00 0.52 H new ATOM 0 HG2 GLU A 49 1.258 -12.081 6.309 1.00 0.62 H new ATOM 0 HG3 GLU A 49 -0.373 -12.194 5.676 1.00 0.62 H new ATOM 730 N PHE A 50 3.839 -9.736 4.360 1.00 0.43 N ATOM 731 CA PHE A 50 5.197 -10.221 3.952 1.00 0.45 C ATOM 732 C PHE A 50 6.294 -9.601 4.842 1.00 0.43 C ATOM 733 O PHE A 50 7.457 -9.937 4.710 1.00 0.50 O ATOM 734 CB PHE A 50 5.452 -9.834 2.492 1.00 0.52 C ATOM 735 CG PHE A 50 4.994 -10.951 1.582 1.00 0.50 C ATOM 736 CD1 PHE A 50 3.639 -11.078 1.249 1.00 0.67 C ATOM 737 CD2 PHE A 50 5.924 -11.859 1.067 1.00 0.85 C ATOM 738 CE1 PHE A 50 3.220 -12.112 0.405 1.00 0.67 C ATOM 739 CE2 PHE A 50 5.503 -12.891 0.224 1.00 0.89 C ATOM 740 CZ PHE A 50 4.152 -13.018 -0.108 1.00 0.57 C ATOM 0 H PHE A 50 3.470 -8.971 3.796 1.00 0.43 H new ATOM 0 HA PHE A 50 5.229 -11.304 4.067 1.00 0.45 H new ATOM 0 HB2 PHE A 50 4.919 -8.914 2.251 1.00 0.52 H new ATOM 0 HB3 PHE A 50 6.513 -9.638 2.338 1.00 0.52 H new ATOM 0 HD1 PHE A 50 2.918 -10.378 1.644 1.00 0.67 H new ATOM 0 HD2 PHE A 50 6.969 -11.763 1.321 1.00 0.85 H new ATOM 0 HE1 PHE A 50 2.175 -12.210 0.150 1.00 0.67 H new ATOM 0 HE2 PHE A 50 6.223 -13.592 -0.172 1.00 0.89 H new ATOM 0 HZ PHE A 50 3.828 -13.815 -0.760 1.00 0.57 H new ATOM 750 N LYS A 51 5.939 -8.700 5.743 1.00 0.41 N ATOM 751 CA LYS A 51 6.959 -8.059 6.640 1.00 0.43 C ATOM 752 C LYS A 51 7.934 -7.207 5.806 1.00 0.43 C ATOM 753 O LYS A 51 9.115 -7.131 6.096 1.00 0.48 O ATOM 754 CB LYS A 51 7.728 -9.146 7.410 1.00 0.49 C ATOM 755 CG LYS A 51 7.430 -9.023 8.910 1.00 0.82 C ATOM 756 CD LYS A 51 6.859 -10.346 9.432 1.00 1.09 C ATOM 757 CE LYS A 51 5.385 -10.162 9.801 1.00 1.84 C ATOM 758 NZ LYS A 51 4.518 -10.739 8.730 1.00 2.64 N ATOM 0 H LYS A 51 4.981 -8.383 5.892 1.00 0.41 H new ATOM 0 HA LYS A 51 6.451 -7.410 7.354 1.00 0.43 H new ATOM 0 HB2 LYS A 51 7.438 -10.134 7.051 1.00 0.49 H new ATOM 0 HB3 LYS A 51 8.798 -9.043 7.232 1.00 0.49 H new ATOM 0 HG2 LYS A 51 8.341 -8.770 9.452 1.00 0.82 H new ATOM 0 HG3 LYS A 51 6.720 -8.215 9.085 1.00 0.82 H new ATOM 0 HD2 LYS A 51 6.960 -11.121 8.673 1.00 1.09 H new ATOM 0 HD3 LYS A 51 7.423 -10.678 10.303 1.00 1.09 H new ATOM 0 HE2 LYS A 51 5.176 -10.650 10.753 1.00 1.84 H new ATOM 0 HE3 LYS A 51 5.163 -9.103 9.930 1.00 1.84 H new ATOM 0 HZ1 LYS A 51 3.547 -10.383 8.840 1.00 2.64 H new ATOM 0 HZ2 LYS A 51 4.886 -10.461 7.798 1.00 2.64 H new ATOM 0 HZ3 LYS A 51 4.517 -11.776 8.806 1.00 2.64 H new ATOM 772 N VAL A 52 7.438 -6.555 4.777 1.00 0.45 N ATOM 773 CA VAL A 52 8.319 -5.697 3.920 1.00 0.47 C ATOM 774 C VAL A 52 7.667 -4.318 3.735 1.00 0.46 C ATOM 775 O VAL A 52 6.463 -4.182 3.863 1.00 0.45 O ATOM 776 CB VAL A 52 8.523 -6.354 2.545 1.00 0.49 C ATOM 777 CG1 VAL A 52 9.346 -7.636 2.701 1.00 0.61 C ATOM 778 CG2 VAL A 52 7.164 -6.691 1.913 1.00 0.51 C ATOM 0 H VAL A 52 6.458 -6.581 4.495 1.00 0.45 H new ATOM 0 HA VAL A 52 9.287 -5.584 4.408 1.00 0.47 H new ATOM 0 HB VAL A 52 9.055 -5.657 1.897 1.00 0.49 H new ATOM 0 HG11 VAL A 52 9.488 -8.098 1.724 1.00 0.61 H new ATOM 0 HG12 VAL A 52 10.317 -7.395 3.133 1.00 0.61 H new ATOM 0 HG13 VAL A 52 8.819 -8.329 3.357 1.00 0.61 H new ATOM 0 HG21 VAL A 52 7.321 -7.156 0.940 1.00 0.51 H new ATOM 0 HG22 VAL A 52 6.622 -7.380 2.561 1.00 0.51 H new ATOM 0 HG23 VAL A 52 6.584 -5.777 1.789 1.00 0.51 H new ATOM 788 N PRO A 53 8.485 -3.333 3.436 1.00 0.49 N ATOM 789 CA PRO A 53 8.021 -1.949 3.223 1.00 0.51 C ATOM 790 C PRO A 53 7.375 -1.808 1.841 1.00 0.47 C ATOM 791 O PRO A 53 7.960 -2.160 0.833 1.00 0.50 O ATOM 792 CB PRO A 53 9.303 -1.118 3.322 1.00 0.60 C ATOM 793 CG PRO A 53 10.474 -2.083 3.023 1.00 0.62 C ATOM 794 CD PRO A 53 9.947 -3.509 3.280 1.00 0.55 C ATOM 0 HA PRO A 53 7.264 -1.635 3.941 1.00 0.51 H new ATOM 0 HB2 PRO A 53 9.287 -0.294 2.609 1.00 0.60 H new ATOM 0 HB3 PRO A 53 9.405 -0.679 4.314 1.00 0.60 H new ATOM 0 HG2 PRO A 53 10.812 -1.975 1.992 1.00 0.62 H new ATOM 0 HG3 PRO A 53 11.329 -1.865 3.663 1.00 0.62 H new ATOM 0 HD2 PRO A 53 10.182 -4.176 2.450 1.00 0.55 H new ATOM 0 HD3 PRO A 53 10.394 -3.944 4.174 1.00 0.55 H new ATOM 802 N ALA A 54 6.169 -1.294 1.797 1.00 0.47 N ATOM 803 CA ALA A 54 5.460 -1.121 0.490 1.00 0.47 C ATOM 804 C ALA A 54 6.163 -0.046 -0.349 1.00 0.47 C ATOM 805 O ALA A 54 6.235 -0.148 -1.560 1.00 0.49 O ATOM 806 CB ALA A 54 4.012 -0.696 0.748 1.00 0.55 C ATOM 0 H ALA A 54 5.643 -0.985 2.615 1.00 0.47 H new ATOM 0 HA ALA A 54 5.475 -2.066 -0.052 1.00 0.47 H new ATOM 0 HB1 ALA A 54 3.495 -0.570 -0.203 1.00 0.55 H new ATOM 0 HB2 ALA A 54 3.507 -1.462 1.337 1.00 0.55 H new ATOM 0 HB3 ALA A 54 4.001 0.247 1.295 1.00 0.55 H new ATOM 812 N ALA A 55 6.683 0.980 0.290 1.00 0.52 N ATOM 813 CA ALA A 55 7.388 2.068 -0.458 1.00 0.57 C ATOM 814 C ALA A 55 8.638 1.506 -1.151 1.00 0.54 C ATOM 815 O ALA A 55 9.008 1.950 -2.222 1.00 0.60 O ATOM 816 CB ALA A 55 7.803 3.173 0.519 1.00 0.68 C ATOM 0 H ALA A 55 6.648 1.108 1.301 1.00 0.52 H new ATOM 0 HA ALA A 55 6.714 2.476 -1.211 1.00 0.57 H new ATOM 0 HB1 ALA A 55 8.317 3.966 -0.025 1.00 0.68 H new ATOM 0 HB2 ALA A 55 6.917 3.581 1.004 1.00 0.68 H new ATOM 0 HB3 ALA A 55 8.472 2.759 1.274 1.00 0.68 H new ATOM 822 N THR A 56 9.287 0.533 -0.548 1.00 0.51 N ATOM 823 CA THR A 56 10.514 -0.061 -1.170 1.00 0.52 C ATOM 824 C THR A 56 10.200 -1.476 -1.692 1.00 0.48 C ATOM 825 O THR A 56 11.045 -2.356 -1.673 1.00 0.55 O ATOM 826 CB THR A 56 11.641 -0.126 -0.122 1.00 0.60 C ATOM 827 OG1 THR A 56 11.632 1.057 0.669 1.00 0.70 O ATOM 828 CG2 THR A 56 12.993 -0.251 -0.829 1.00 0.71 C ATOM 0 H THR A 56 9.018 0.126 0.348 1.00 0.51 H new ATOM 0 HA THR A 56 10.835 0.562 -2.005 1.00 0.52 H new ATOM 0 HB THR A 56 11.482 -0.993 0.520 1.00 0.60 H new ATOM 0 HG1 THR A 56 12.349 1.011 1.335 1.00 0.70 H new ATOM 0 HG21 THR A 56 13.789 -0.297 -0.086 1.00 0.71 H new ATOM 0 HG22 THR A 56 13.006 -1.159 -1.431 1.00 0.71 H new ATOM 0 HG23 THR A 56 13.148 0.614 -1.474 1.00 0.71 H new ATOM 836 N SER A 57 8.995 -1.699 -2.168 1.00 0.43 N ATOM 837 CA SER A 57 8.628 -3.050 -2.697 1.00 0.43 C ATOM 838 C SER A 57 7.595 -2.911 -3.822 1.00 0.38 C ATOM 839 O SER A 57 6.801 -1.986 -3.844 1.00 0.40 O ATOM 840 CB SER A 57 8.035 -3.903 -1.572 1.00 0.48 C ATOM 841 OG SER A 57 9.083 -4.375 -0.734 1.00 0.59 O ATOM 0 H SER A 57 8.251 -1.002 -2.212 1.00 0.43 H new ATOM 0 HA SER A 57 9.525 -3.530 -3.087 1.00 0.43 H new ATOM 0 HB2 SER A 57 7.326 -3.315 -0.990 1.00 0.48 H new ATOM 0 HB3 SER A 57 7.483 -4.744 -1.991 1.00 0.48 H new ATOM 0 HG SER A 57 9.918 -3.918 -0.966 1.00 0.59 H new ATOM 847 N ALA A 58 7.602 -3.838 -4.748 1.00 0.41 N ATOM 848 CA ALA A 58 6.631 -3.799 -5.882 1.00 0.41 C ATOM 849 C ALA A 58 6.008 -5.190 -6.066 1.00 0.42 C ATOM 850 O ALA A 58 6.451 -6.161 -5.476 1.00 0.46 O ATOM 851 CB ALA A 58 7.363 -3.393 -7.165 1.00 0.45 C ATOM 0 H ALA A 58 8.247 -4.628 -4.765 1.00 0.41 H new ATOM 0 HA ALA A 58 5.846 -3.074 -5.667 1.00 0.41 H new ATOM 0 HB1 ALA A 58 6.656 -3.364 -7.994 1.00 0.45 H new ATOM 0 HB2 ALA A 58 7.808 -2.407 -7.033 1.00 0.45 H new ATOM 0 HB3 ALA A 58 8.147 -4.119 -7.382 1.00 0.45 H new ATOM 857 N ILE A 59 4.985 -5.292 -6.878 1.00 0.45 N ATOM 858 CA ILE A 59 4.330 -6.616 -7.105 1.00 0.47 C ATOM 859 C ILE A 59 4.348 -6.943 -8.603 1.00 0.48 C ATOM 860 O ILE A 59 3.833 -6.197 -9.411 1.00 0.47 O ATOM 861 CB ILE A 59 2.883 -6.565 -6.587 1.00 0.48 C ATOM 862 CG1 ILE A 59 2.878 -6.833 -5.077 1.00 0.52 C ATOM 863 CG2 ILE A 59 2.031 -7.627 -7.294 1.00 0.54 C ATOM 864 CD1 ILE A 59 1.530 -6.417 -4.482 1.00 0.54 C ATOM 0 H ILE A 59 4.575 -4.514 -7.394 1.00 0.45 H new ATOM 0 HA ILE A 59 4.871 -7.394 -6.567 1.00 0.47 H new ATOM 0 HB ILE A 59 2.464 -5.580 -6.792 1.00 0.48 H new ATOM 0 HG12 ILE A 59 3.060 -7.890 -4.885 1.00 0.52 H new ATOM 0 HG13 ILE A 59 3.685 -6.279 -4.597 1.00 0.52 H new ATOM 0 HG21 ILE A 59 1.008 -7.582 -6.919 1.00 0.54 H new ATOM 0 HG22 ILE A 59 2.033 -7.439 -8.368 1.00 0.54 H new ATOM 0 HG23 ILE A 59 2.446 -8.616 -7.098 1.00 0.54 H new ATOM 0 HD11 ILE A 59 1.531 -6.609 -3.409 1.00 0.54 H new ATOM 0 HD12 ILE A 59 1.366 -5.354 -4.660 1.00 0.54 H new ATOM 0 HD13 ILE A 59 0.732 -6.991 -4.953 1.00 0.54 H new ATOM 876 N ILE A 60 4.936 -8.057 -8.974 1.00 0.53 N ATOM 877 CA ILE A 60 4.986 -8.441 -10.420 1.00 0.55 C ATOM 878 C ILE A 60 3.872 -9.457 -10.727 1.00 0.59 C ATOM 879 O ILE A 60 3.185 -9.923 -9.836 1.00 0.63 O ATOM 880 CB ILE A 60 6.359 -9.051 -10.752 1.00 0.59 C ATOM 881 CG1 ILE A 60 6.560 -10.356 -9.972 1.00 0.64 C ATOM 882 CG2 ILE A 60 7.464 -8.060 -10.374 1.00 0.60 C ATOM 883 CD1 ILE A 60 6.975 -11.469 -10.938 1.00 0.76 C ATOM 0 H ILE A 60 5.383 -8.716 -8.337 1.00 0.53 H new ATOM 0 HA ILE A 60 4.836 -7.552 -11.032 1.00 0.55 H new ATOM 0 HB ILE A 60 6.403 -9.263 -11.820 1.00 0.59 H new ATOM 0 HG12 ILE A 60 7.324 -10.221 -9.206 1.00 0.64 H new ATOM 0 HG13 ILE A 60 5.639 -10.631 -9.458 1.00 0.64 H new ATOM 0 HG21 ILE A 60 8.437 -8.492 -10.609 1.00 0.60 H new ATOM 0 HG22 ILE A 60 7.332 -7.136 -10.937 1.00 0.60 H new ATOM 0 HG23 ILE A 60 7.411 -7.846 -9.307 1.00 0.60 H new ATOM 0 HD11 ILE A 60 7.118 -12.397 -10.384 1.00 0.76 H new ATOM 0 HD12 ILE A 60 6.196 -11.610 -11.687 1.00 0.76 H new ATOM 0 HD13 ILE A 60 7.907 -11.194 -11.431 1.00 0.76 H new ATOM 895 N THR A 61 3.688 -9.798 -11.983 1.00 0.61 N ATOM 896 CA THR A 61 2.617 -10.779 -12.355 1.00 0.66 C ATOM 897 C THR A 61 3.241 -12.027 -13.004 1.00 0.73 C ATOM 898 O THR A 61 4.435 -12.087 -13.245 1.00 0.73 O ATOM 899 CB THR A 61 1.628 -10.111 -13.329 1.00 0.66 C ATOM 900 OG1 THR A 61 0.570 -11.012 -13.634 1.00 0.72 O ATOM 901 CG2 THR A 61 2.351 -9.713 -14.621 1.00 0.67 C ATOM 0 H THR A 61 4.234 -9.439 -12.766 1.00 0.61 H new ATOM 0 HA THR A 61 2.084 -11.088 -11.456 1.00 0.66 H new ATOM 0 HB THR A 61 1.218 -9.217 -12.859 1.00 0.66 H new ATOM 0 HG1 THR A 61 0.252 -11.435 -12.809 1.00 0.72 H new ATOM 0 HG21 THR A 61 1.644 -9.242 -15.303 1.00 0.67 H new ATOM 0 HG22 THR A 61 3.153 -9.012 -14.388 1.00 0.67 H new ATOM 0 HG23 THR A 61 2.771 -10.602 -15.091 1.00 0.67 H new ATOM 909 N ASN A 62 2.429 -13.024 -13.284 1.00 0.82 N ATOM 910 CA ASN A 62 2.938 -14.285 -13.916 1.00 0.91 C ATOM 911 C ASN A 62 3.445 -14.009 -15.344 1.00 0.92 C ATOM 912 O ASN A 62 4.232 -14.768 -15.880 1.00 0.99 O ATOM 913 CB ASN A 62 1.800 -15.312 -13.972 1.00 1.01 C ATOM 914 CG ASN A 62 2.372 -16.709 -14.228 1.00 1.07 C ATOM 915 OD1 ASN A 62 2.517 -17.121 -15.362 1.00 1.25 O ATOM 916 ND2 ASN A 62 2.702 -17.463 -13.214 1.00 1.10 N ATOM 0 H ASN A 62 1.426 -13.016 -13.099 1.00 0.82 H new ATOM 0 HA ASN A 62 3.765 -14.671 -13.320 1.00 0.91 H new ATOM 0 HB2 ASN A 62 1.244 -15.303 -13.035 1.00 1.01 H new ATOM 0 HB3 ASN A 62 1.097 -15.047 -14.762 1.00 1.01 H new ATOM 0 HD21 ASN A 62 3.081 -18.396 -13.374 1.00 1.10 H new ATOM 0 HD22 ASN A 62 2.581 -17.119 -12.262 1.00 1.10 H new ATOM 923 N ASP A 63 3.000 -12.936 -15.961 1.00 0.88 N ATOM 924 CA ASP A 63 3.449 -12.616 -17.354 1.00 0.93 C ATOM 925 C ASP A 63 4.848 -11.977 -17.333 1.00 0.91 C ATOM 926 O ASP A 63 5.560 -12.008 -18.322 1.00 1.14 O ATOM 927 CB ASP A 63 2.458 -11.638 -17.999 1.00 0.92 C ATOM 928 CG ASP A 63 1.037 -12.210 -17.922 1.00 0.99 C ATOM 929 OD1 ASP A 63 0.686 -12.996 -18.787 1.00 1.12 O ATOM 930 OD2 ASP A 63 0.323 -11.850 -16.998 1.00 1.05 O ATOM 0 H ASP A 63 2.344 -12.268 -15.557 1.00 0.88 H new ATOM 0 HA ASP A 63 3.489 -13.540 -17.930 1.00 0.93 H new ATOM 0 HB2 ASP A 63 2.500 -10.675 -17.490 1.00 0.92 H new ATOM 0 HB3 ASP A 63 2.733 -11.461 -19.039 1.00 0.92 H new ATOM 935 N GLY A 64 5.248 -11.398 -16.221 1.00 0.77 N ATOM 936 CA GLY A 64 6.597 -10.757 -16.138 1.00 0.76 C ATOM 937 C GLY A 64 6.447 -9.234 -16.205 1.00 0.72 C ATOM 938 O GLY A 64 7.169 -8.564 -16.921 1.00 0.88 O ATOM 0 H GLY A 64 4.694 -11.344 -15.367 1.00 0.77 H new ATOM 0 HA2 GLY A 64 7.090 -11.043 -15.209 1.00 0.76 H new ATOM 0 HA3 GLY A 64 7.228 -11.107 -16.955 1.00 0.76 H new ATOM 942 N VAL A 65 5.513 -8.687 -15.460 1.00 0.67 N ATOM 943 CA VAL A 65 5.299 -7.207 -15.463 1.00 0.64 C ATOM 944 C VAL A 65 5.357 -6.692 -14.020 1.00 0.58 C ATOM 945 O VAL A 65 4.679 -7.202 -13.146 1.00 0.60 O ATOM 946 CB VAL A 65 3.928 -6.883 -16.074 1.00 0.66 C ATOM 947 CG1 VAL A 65 3.759 -5.364 -16.192 1.00 0.68 C ATOM 948 CG2 VAL A 65 3.822 -7.514 -17.468 1.00 0.88 C ATOM 0 H VAL A 65 4.887 -9.209 -14.847 1.00 0.67 H new ATOM 0 HA VAL A 65 6.075 -6.724 -16.057 1.00 0.64 H new ATOM 0 HB VAL A 65 3.147 -7.287 -15.430 1.00 0.66 H new ATOM 0 HG11 VAL A 65 2.785 -5.139 -16.626 1.00 0.68 H new ATOM 0 HG12 VAL A 65 3.829 -4.912 -15.202 1.00 0.68 H new ATOM 0 HG13 VAL A 65 4.543 -4.959 -16.832 1.00 0.68 H new ATOM 0 HG21 VAL A 65 2.848 -7.282 -17.899 1.00 0.88 H new ATOM 0 HG22 VAL A 65 4.607 -7.114 -18.109 1.00 0.88 H new ATOM 0 HG23 VAL A 65 3.935 -8.595 -17.388 1.00 0.88 H new ATOM 958 N GLY A 66 6.165 -5.688 -13.771 1.00 0.58 N ATOM 959 CA GLY A 66 6.287 -5.130 -12.392 1.00 0.53 C ATOM 960 C GLY A 66 5.113 -4.194 -12.106 1.00 0.52 C ATOM 961 O GLY A 66 5.194 -2.998 -12.322 1.00 0.57 O ATOM 0 H GLY A 66 6.748 -5.230 -14.471 1.00 0.58 H new ATOM 0 HA2 GLY A 66 6.304 -5.940 -11.662 1.00 0.53 H new ATOM 0 HA3 GLY A 66 7.228 -4.589 -12.291 1.00 0.53 H new ATOM 965 N VAL A 67 4.025 -4.738 -11.616 1.00 0.51 N ATOM 966 CA VAL A 67 2.826 -3.900 -11.298 1.00 0.52 C ATOM 967 C VAL A 67 3.153 -2.964 -10.128 1.00 0.44 C ATOM 968 O VAL A 67 3.672 -3.385 -9.108 1.00 0.46 O ATOM 969 CB VAL A 67 1.647 -4.806 -10.909 1.00 0.59 C ATOM 970 CG1 VAL A 67 0.379 -3.962 -10.767 1.00 0.67 C ATOM 971 CG2 VAL A 67 1.432 -5.868 -11.990 1.00 0.75 C ATOM 0 H VAL A 67 3.916 -5.733 -11.421 1.00 0.51 H new ATOM 0 HA VAL A 67 2.556 -3.312 -12.175 1.00 0.52 H new ATOM 0 HB VAL A 67 1.868 -5.296 -9.961 1.00 0.59 H new ATOM 0 HG11 VAL A 67 -0.457 -4.605 -10.491 1.00 0.67 H new ATOM 0 HG12 VAL A 67 0.528 -3.209 -9.993 1.00 0.67 H new ATOM 0 HG13 VAL A 67 0.161 -3.470 -11.715 1.00 0.67 H new ATOM 0 HG21 VAL A 67 0.595 -6.508 -11.710 1.00 0.75 H new ATOM 0 HG22 VAL A 67 1.214 -5.381 -12.940 1.00 0.75 H new ATOM 0 HG23 VAL A 67 2.333 -6.473 -12.090 1.00 0.75 H new ATOM 981 N ASN A 68 2.851 -1.696 -10.273 1.00 0.46 N ATOM 982 CA ASN A 68 3.136 -0.716 -9.180 1.00 0.42 C ATOM 983 C ASN A 68 1.816 -0.281 -8.514 1.00 0.41 C ATOM 984 O ASN A 68 0.748 -0.499 -9.058 1.00 0.43 O ATOM 985 CB ASN A 68 3.870 0.501 -9.767 1.00 0.50 C ATOM 986 CG ASN A 68 2.947 1.268 -10.717 1.00 0.73 C ATOM 987 OD1 ASN A 68 2.237 2.157 -10.301 1.00 1.04 O ATOM 988 ND2 ASN A 68 2.931 0.964 -11.988 1.00 0.89 N ATOM 0 H ASN A 68 2.417 -1.297 -11.106 1.00 0.46 H new ATOM 0 HA ASN A 68 3.769 -1.181 -8.424 1.00 0.42 H new ATOM 0 HB2 ASN A 68 4.202 1.157 -8.963 1.00 0.50 H new ATOM 0 HB3 ASN A 68 4.762 0.174 -10.301 1.00 0.50 H new ATOM 0 HD21 ASN A 68 2.322 1.475 -12.627 1.00 0.89 H new ATOM 0 HD22 ASN A 68 3.528 0.216 -12.341 1.00 0.89 H new ATOM 995 N PRO A 69 1.934 0.309 -7.342 1.00 0.42 N ATOM 996 CA PRO A 69 0.776 0.778 -6.555 1.00 0.46 C ATOM 997 C PRO A 69 0.229 2.103 -7.114 1.00 0.47 C ATOM 998 O PRO A 69 0.309 3.141 -6.480 1.00 0.52 O ATOM 999 CB PRO A 69 1.351 0.953 -5.144 1.00 0.50 C ATOM 1000 CG PRO A 69 2.878 1.133 -5.313 1.00 0.49 C ATOM 1001 CD PRO A 69 3.237 0.567 -6.699 1.00 0.45 C ATOM 0 HA PRO A 69 -0.067 0.088 -6.580 1.00 0.46 H new ATOM 0 HB2 PRO A 69 0.910 1.819 -4.650 1.00 0.50 H new ATOM 0 HB3 PRO A 69 1.129 0.085 -4.524 1.00 0.50 H new ATOM 0 HG2 PRO A 69 3.154 2.185 -5.241 1.00 0.49 H new ATOM 0 HG3 PRO A 69 3.420 0.606 -4.527 1.00 0.49 H new ATOM 0 HD2 PRO A 69 3.831 1.276 -7.276 1.00 0.45 H new ATOM 0 HD3 PRO A 69 3.826 -0.347 -6.614 1.00 0.45 H new ATOM 1009 N ALA A 70 -0.328 2.064 -8.298 1.00 0.50 N ATOM 1010 CA ALA A 70 -0.897 3.306 -8.918 1.00 0.56 C ATOM 1011 C ALA A 70 -2.258 2.998 -9.561 1.00 0.52 C ATOM 1012 O ALA A 70 -3.197 3.759 -9.424 1.00 0.69 O ATOM 1013 CB ALA A 70 0.060 3.837 -9.987 1.00 0.62 C ATOM 0 H ALA A 70 -0.415 1.222 -8.867 1.00 0.50 H new ATOM 0 HA ALA A 70 -1.028 4.058 -8.140 1.00 0.56 H new ATOM 0 HB1 ALA A 70 -0.358 4.739 -10.434 1.00 0.62 H new ATOM 0 HB2 ALA A 70 1.022 4.071 -9.531 1.00 0.62 H new ATOM 0 HB3 ALA A 70 0.199 3.080 -10.759 1.00 0.62 H new ATOM 1019 N GLN A 71 -2.367 1.891 -10.264 1.00 0.41 N ATOM 1020 CA GLN A 71 -3.663 1.528 -10.925 1.00 0.42 C ATOM 1021 C GLN A 71 -4.667 1.022 -9.875 1.00 0.35 C ATOM 1022 O GLN A 71 -4.279 0.601 -8.802 1.00 0.35 O ATOM 1023 CB GLN A 71 -3.416 0.423 -11.958 1.00 0.52 C ATOM 1024 CG GLN A 71 -2.576 0.972 -13.114 1.00 0.70 C ATOM 1025 CD GLN A 71 -1.449 -0.012 -13.440 1.00 0.84 C ATOM 1026 OE1 GLN A 71 -1.616 -0.896 -14.257 1.00 1.04 O ATOM 1027 NE2 GLN A 71 -0.300 0.103 -12.830 1.00 1.16 N ATOM 0 H GLN A 71 -1.610 1.222 -10.408 1.00 0.41 H new ATOM 0 HA GLN A 71 -4.071 2.411 -11.416 1.00 0.42 H new ATOM 0 HB2 GLN A 71 -2.902 -0.417 -11.490 1.00 0.52 H new ATOM 0 HB3 GLN A 71 -4.367 0.045 -12.334 1.00 0.52 H new ATOM 0 HG2 GLN A 71 -3.203 1.126 -13.992 1.00 0.70 H new ATOM 0 HG3 GLN A 71 -2.159 1.943 -12.845 1.00 0.70 H new ATOM 0 HE21 GLN A 71 -0.159 0.845 -12.144 1.00 1.16 H new ATOM 0 HE22 GLN A 71 0.456 -0.549 -13.040 1.00 1.16 H new ATOM 1036 N PRO A 72 -5.935 1.075 -10.227 1.00 0.34 N ATOM 1037 CA PRO A 72 -7.030 0.621 -9.343 1.00 0.32 C ATOM 1038 C PRO A 72 -7.119 -0.913 -9.337 1.00 0.31 C ATOM 1039 O PRO A 72 -6.679 -1.572 -10.262 1.00 0.34 O ATOM 1040 CB PRO A 72 -8.281 1.242 -9.971 1.00 0.39 C ATOM 1041 CG PRO A 72 -7.931 1.527 -11.450 1.00 0.43 C ATOM 1042 CD PRO A 72 -6.395 1.589 -11.536 1.00 0.42 C ATOM 0 HA PRO A 72 -6.891 0.917 -8.303 1.00 0.32 H new ATOM 0 HB2 PRO A 72 -9.131 0.563 -9.897 1.00 0.39 H new ATOM 0 HB3 PRO A 72 -8.560 2.160 -9.454 1.00 0.39 H new ATOM 0 HG2 PRO A 72 -8.324 0.744 -12.099 1.00 0.43 H new ATOM 0 HG3 PRO A 72 -8.375 2.466 -11.779 1.00 0.43 H new ATOM 0 HD2 PRO A 72 -6.018 0.980 -12.357 1.00 0.42 H new ATOM 0 HD3 PRO A 72 -6.047 2.607 -11.708 1.00 0.42 H new ATOM 1050 N ALA A 73 -7.686 -1.478 -8.295 1.00 0.36 N ATOM 1051 CA ALA A 73 -7.814 -2.970 -8.202 1.00 0.39 C ATOM 1052 C ALA A 73 -8.543 -3.522 -9.436 1.00 0.35 C ATOM 1053 O ALA A 73 -8.198 -4.573 -9.944 1.00 0.39 O ATOM 1054 CB ALA A 73 -8.600 -3.336 -6.940 1.00 0.48 C ATOM 0 H ALA A 73 -8.068 -0.966 -7.500 1.00 0.36 H new ATOM 0 HA ALA A 73 -6.817 -3.407 -8.156 1.00 0.39 H new ATOM 0 HB1 ALA A 73 -8.694 -4.420 -6.871 1.00 0.48 H new ATOM 0 HB2 ALA A 73 -8.074 -2.961 -6.062 1.00 0.48 H new ATOM 0 HB3 ALA A 73 -9.593 -2.888 -6.987 1.00 0.48 H new ATOM 1060 N GLY A 74 -9.544 -2.820 -9.921 1.00 0.35 N ATOM 1061 CA GLY A 74 -10.299 -3.296 -11.122 1.00 0.36 C ATOM 1062 C GLY A 74 -9.353 -3.408 -12.326 1.00 0.34 C ATOM 1063 O GLY A 74 -9.360 -4.398 -13.034 1.00 0.42 O ATOM 0 H GLY A 74 -9.869 -1.935 -9.533 1.00 0.35 H new ATOM 0 HA2 GLY A 74 -10.754 -4.265 -10.915 1.00 0.36 H new ATOM 0 HA3 GLY A 74 -11.110 -2.605 -11.349 1.00 0.36 H new ATOM 1067 N ASN A 75 -8.541 -2.400 -12.555 1.00 0.34 N ATOM 1068 CA ASN A 75 -7.587 -2.432 -13.710 1.00 0.38 C ATOM 1069 C ASN A 75 -6.503 -3.495 -13.468 1.00 0.37 C ATOM 1070 O ASN A 75 -6.093 -4.184 -14.384 1.00 0.47 O ATOM 1071 CB ASN A 75 -6.927 -1.056 -13.860 1.00 0.46 C ATOM 1072 CG ASN A 75 -6.127 -1.006 -15.164 1.00 0.63 C ATOM 1073 OD1 ASN A 75 -4.924 -1.180 -15.160 1.00 0.83 O ATOM 1074 ND2 ASN A 75 -6.747 -0.774 -16.290 1.00 0.93 N ATOM 0 H ASN A 75 -8.499 -1.553 -11.988 1.00 0.34 H new ATOM 0 HA ASN A 75 -8.133 -2.681 -14.620 1.00 0.38 H new ATOM 0 HB2 ASN A 75 -7.688 -0.275 -13.859 1.00 0.46 H new ATOM 0 HB3 ASN A 75 -6.270 -0.863 -13.012 1.00 0.46 H new ATOM 0 HD21 ASN A 75 -6.222 -0.739 -17.164 1.00 0.93 H new ATOM 0 HD22 ASN A 75 -7.756 -0.628 -16.296 1.00 0.93 H new ATOM 1081 N ILE A 76 -6.040 -3.627 -12.244 1.00 0.34 N ATOM 1082 CA ILE A 76 -4.981 -4.640 -11.929 1.00 0.38 C ATOM 1083 C ILE A 76 -5.509 -6.050 -12.236 1.00 0.41 C ATOM 1084 O ILE A 76 -4.826 -6.855 -12.840 1.00 0.50 O ATOM 1085 CB ILE A 76 -4.604 -4.543 -10.443 1.00 0.41 C ATOM 1086 CG1 ILE A 76 -3.990 -3.163 -10.153 1.00 0.40 C ATOM 1087 CG2 ILE A 76 -3.595 -5.640 -10.087 1.00 0.47 C ATOM 1088 CD1 ILE A 76 -2.682 -2.991 -10.932 1.00 0.46 C ATOM 0 H ILE A 76 -6.353 -3.073 -11.447 1.00 0.34 H new ATOM 0 HA ILE A 76 -4.100 -4.444 -12.540 1.00 0.38 H new ATOM 0 HB ILE A 76 -5.502 -4.674 -9.839 1.00 0.41 H new ATOM 0 HG12 ILE A 76 -4.693 -2.378 -10.431 1.00 0.40 H new ATOM 0 HG13 ILE A 76 -3.802 -3.058 -9.085 1.00 0.40 H new ATOM 0 HG21 ILE A 76 -3.333 -5.565 -9.032 1.00 0.47 H new ATOM 0 HG22 ILE A 76 -4.036 -6.617 -10.282 1.00 0.47 H new ATOM 0 HG23 ILE A 76 -2.697 -5.519 -10.694 1.00 0.47 H new ATOM 0 HD11 ILE A 76 -2.257 -2.010 -10.718 1.00 0.46 H new ATOM 0 HD12 ILE A 76 -1.976 -3.765 -10.633 1.00 0.46 H new ATOM 0 HD13 ILE A 76 -2.881 -3.075 -12.000 1.00 0.46 H new ATOM 1100 N PHE A 77 -6.721 -6.345 -11.823 1.00 0.38 N ATOM 1101 CA PHE A 77 -7.311 -7.696 -12.083 1.00 0.42 C ATOM 1102 C PHE A 77 -7.649 -7.838 -13.575 1.00 0.43 C ATOM 1103 O PHE A 77 -7.495 -8.898 -14.154 1.00 0.54 O ATOM 1104 CB PHE A 77 -8.587 -7.856 -11.249 1.00 0.44 C ATOM 1105 CG PHE A 77 -8.926 -9.321 -11.105 1.00 0.46 C ATOM 1106 CD1 PHE A 77 -9.747 -9.947 -12.052 1.00 0.56 C ATOM 1107 CD2 PHE A 77 -8.422 -10.056 -10.024 1.00 0.52 C ATOM 1108 CE1 PHE A 77 -10.063 -11.304 -11.918 1.00 0.61 C ATOM 1109 CE2 PHE A 77 -8.738 -11.412 -9.891 1.00 0.56 C ATOM 1110 CZ PHE A 77 -9.559 -12.037 -10.837 1.00 0.57 C ATOM 0 H PHE A 77 -7.329 -5.703 -11.314 1.00 0.38 H new ATOM 0 HA PHE A 77 -6.592 -8.467 -11.806 1.00 0.42 H new ATOM 0 HB2 PHE A 77 -8.448 -7.408 -10.265 1.00 0.44 H new ATOM 0 HB3 PHE A 77 -9.413 -7.328 -11.726 1.00 0.44 H new ATOM 0 HD1 PHE A 77 -10.136 -9.382 -12.886 1.00 0.56 H new ATOM 0 HD2 PHE A 77 -7.789 -9.575 -9.293 1.00 0.52 H new ATOM 0 HE1 PHE A 77 -10.696 -11.786 -12.649 1.00 0.61 H new ATOM 0 HE2 PHE A 77 -8.348 -11.977 -9.058 1.00 0.56 H new ATOM 0 HZ PHE A 77 -9.803 -13.084 -10.733 1.00 0.57 H new ATOM 1120 N LEU A 78 -8.112 -6.776 -14.196 1.00 0.40 N ATOM 1121 CA LEU A 78 -8.472 -6.829 -15.649 1.00 0.46 C ATOM 1122 C LEU A 78 -7.224 -7.087 -16.500 1.00 0.50 C ATOM 1123 O LEU A 78 -7.271 -7.824 -17.469 1.00 0.61 O ATOM 1124 CB LEU A 78 -9.094 -5.489 -16.066 1.00 0.48 C ATOM 1125 CG LEU A 78 -10.594 -5.660 -16.342 1.00 0.62 C ATOM 1126 CD1 LEU A 78 -10.797 -6.578 -17.550 1.00 0.80 C ATOM 1127 CD2 LEU A 78 -11.285 -6.268 -15.115 1.00 0.73 C ATOM 0 H LEU A 78 -8.256 -5.868 -13.753 1.00 0.40 H new ATOM 0 HA LEU A 78 -9.184 -7.640 -15.806 1.00 0.46 H new ATOM 0 HB2 LEU A 78 -8.944 -4.750 -15.279 1.00 0.48 H new ATOM 0 HB3 LEU A 78 -8.594 -5.110 -16.958 1.00 0.48 H new ATOM 0 HG LEU A 78 -11.029 -4.683 -16.552 1.00 0.62 H new ATOM 0 HD11 LEU A 78 -11.863 -6.696 -17.742 1.00 0.80 H new ATOM 0 HD12 LEU A 78 -10.317 -6.139 -18.425 1.00 0.80 H new ATOM 0 HD13 LEU A 78 -10.355 -7.553 -17.344 1.00 0.80 H new ATOM 0 HD21 LEU A 78 -12.349 -6.386 -15.318 1.00 0.73 H new ATOM 0 HD22 LEU A 78 -10.847 -7.242 -14.896 1.00 0.73 H new ATOM 0 HD23 LEU A 78 -11.151 -5.608 -14.258 1.00 0.73 H new ATOM 1139 N LYS A 79 -6.115 -6.472 -16.159 1.00 0.49 N ATOM 1140 CA LYS A 79 -4.869 -6.663 -16.960 1.00 0.58 C ATOM 1141 C LYS A 79 -4.127 -7.929 -16.516 1.00 0.58 C ATOM 1142 O LYS A 79 -3.829 -8.790 -17.323 1.00 0.79 O ATOM 1143 CB LYS A 79 -3.955 -5.449 -16.774 1.00 0.58 C ATOM 1144 CG LYS A 79 -3.183 -5.191 -18.069 1.00 0.85 C ATOM 1145 CD LYS A 79 -1.723 -4.871 -17.740 1.00 1.14 C ATOM 1146 CE LYS A 79 -1.511 -3.356 -17.755 1.00 2.13 C ATOM 1147 NZ LYS A 79 -0.214 -3.024 -17.097 1.00 2.82 N ATOM 0 H LYS A 79 -6.022 -5.846 -15.359 1.00 0.49 H new ATOM 0 HA LYS A 79 -5.142 -6.768 -18.010 1.00 0.58 H new ATOM 0 HB2 LYS A 79 -4.546 -4.572 -16.509 1.00 0.58 H new ATOM 0 HB3 LYS A 79 -3.260 -5.625 -15.953 1.00 0.58 H new ATOM 0 HG2 LYS A 79 -3.237 -6.066 -18.717 1.00 0.85 H new ATOM 0 HG3 LYS A 79 -3.634 -4.362 -18.614 1.00 0.85 H new ATOM 0 HD2 LYS A 79 -1.464 -5.274 -16.761 1.00 1.14 H new ATOM 0 HD3 LYS A 79 -1.064 -5.347 -18.466 1.00 1.14 H new ATOM 0 HE2 LYS A 79 -1.514 -2.989 -18.781 1.00 2.13 H new ATOM 0 HE3 LYS A 79 -2.331 -2.859 -17.236 1.00 2.13 H new ATOM 0 HZ1 LYS A 79 -0.073 -1.994 -17.109 1.00 2.82 H new ATOM 0 HZ2 LYS A 79 -0.228 -3.361 -16.113 1.00 2.82 H new ATOM 0 HZ3 LYS A 79 0.564 -3.486 -17.610 1.00 2.82 H new ATOM 1161 N HIS A 80 -3.812 -8.038 -15.247 1.00 0.51 N ATOM 1162 CA HIS A 80 -3.067 -9.238 -14.754 1.00 0.70 C ATOM 1163 C HIS A 80 -4.044 -10.256 -14.158 1.00 0.67 C ATOM 1164 O HIS A 80 -4.154 -11.369 -14.640 1.00 0.93 O ATOM 1165 CB HIS A 80 -2.051 -8.804 -13.691 1.00 0.83 C ATOM 1166 CG HIS A 80 -1.177 -7.713 -14.253 1.00 0.98 C ATOM 1167 ND1 HIS A 80 -0.309 -7.933 -15.311 1.00 1.15 N ATOM 1168 CD2 HIS A 80 -1.035 -6.389 -13.922 1.00 1.13 C ATOM 1169 CE1 HIS A 80 0.311 -6.770 -15.576 1.00 1.27 C ATOM 1170 NE2 HIS A 80 -0.095 -5.795 -14.758 1.00 1.28 N ATOM 0 H HIS A 80 -4.039 -7.347 -14.532 1.00 0.51 H new ATOM 0 HA HIS A 80 -2.543 -9.704 -15.588 1.00 0.70 H new ATOM 0 HB2 HIS A 80 -2.569 -8.448 -12.800 1.00 0.83 H new ATOM 0 HB3 HIS A 80 -1.441 -9.654 -13.386 1.00 0.83 H new ATOM 0 HD2 HIS A 80 -1.572 -5.884 -13.132 1.00 1.13 H new ATOM 0 HE1 HIS A 80 1.047 -6.640 -16.355 1.00 1.27 H new ATOM 0 HE2 HIS A 80 0.217 -4.824 -14.748 1.00 1.28 H new ATOM 1178 N GLY A 81 -4.753 -9.885 -13.116 1.00 0.49 N ATOM 1179 CA GLY A 81 -5.724 -10.831 -12.485 1.00 0.47 C ATOM 1180 C GLY A 81 -5.373 -11.026 -11.008 1.00 0.50 C ATOM 1181 O GLY A 81 -5.174 -10.072 -10.276 1.00 0.64 O ATOM 0 H GLY A 81 -4.699 -8.966 -12.677 1.00 0.49 H new ATOM 0 HA2 GLY A 81 -6.738 -10.442 -12.579 1.00 0.47 H new ATOM 0 HA3 GLY A 81 -5.701 -11.790 -13.003 1.00 0.47 H new ATOM 1185 N SER A 82 -5.302 -12.260 -10.567 1.00 0.51 N ATOM 1186 CA SER A 82 -4.971 -12.540 -9.135 1.00 0.57 C ATOM 1187 C SER A 82 -3.521 -13.032 -9.015 1.00 0.61 C ATOM 1188 O SER A 82 -2.840 -12.725 -8.055 1.00 0.65 O ATOM 1189 CB SER A 82 -5.919 -13.614 -8.597 1.00 0.65 C ATOM 1190 OG SER A 82 -6.043 -13.471 -7.188 1.00 0.68 O ATOM 0 H SER A 82 -5.460 -13.088 -11.141 1.00 0.51 H new ATOM 0 HA SER A 82 -5.084 -11.623 -8.556 1.00 0.57 H new ATOM 0 HB2 SER A 82 -6.897 -13.522 -9.070 1.00 0.65 H new ATOM 0 HB3 SER A 82 -5.539 -14.606 -8.841 1.00 0.65 H new ATOM 0 HG SER A 82 -6.651 -14.157 -6.842 1.00 0.68 H new ATOM 1196 N GLU A 83 -3.051 -13.801 -9.975 1.00 0.64 N ATOM 1197 CA GLU A 83 -1.650 -14.327 -9.918 1.00 0.70 C ATOM 1198 C GLU A 83 -0.649 -13.163 -9.866 1.00 0.64 C ATOM 1199 O GLU A 83 -0.406 -12.491 -10.854 1.00 0.67 O ATOM 1200 CB GLU A 83 -1.375 -15.193 -11.154 1.00 0.82 C ATOM 1201 CG GLU A 83 -0.916 -16.587 -10.711 1.00 1.36 C ATOM 1202 CD GLU A 83 0.390 -16.475 -9.913 1.00 1.87 C ATOM 1203 OE1 GLU A 83 1.418 -16.244 -10.528 1.00 2.31 O ATOM 1204 OE2 GLU A 83 0.337 -16.622 -8.702 1.00 2.04 O ATOM 0 H GLU A 83 -3.583 -14.086 -10.798 1.00 0.64 H new ATOM 0 HA GLU A 83 -1.534 -14.932 -9.019 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -2.275 -15.272 -11.763 1.00 0.82 H new ATOM 0 HB3 GLU A 83 -0.610 -14.727 -11.775 1.00 0.82 H new ATOM 0 HG2 GLU A 83 -1.687 -17.057 -10.100 1.00 1.36 H new ATOM 0 HG3 GLU A 83 -0.767 -17.225 -11.582 1.00 1.36 H new ATOM 1211 N LEU A 84 -0.069 -12.929 -8.710 1.00 0.60 N ATOM 1212 CA LEU A 84 0.921 -11.816 -8.558 1.00 0.55 C ATOM 1213 C LEU A 84 2.072 -12.265 -7.642 1.00 0.57 C ATOM 1214 O LEU A 84 1.989 -13.285 -6.977 1.00 0.64 O ATOM 1215 CB LEU A 84 0.230 -10.593 -7.938 1.00 0.50 C ATOM 1216 CG LEU A 84 -0.788 -10.012 -8.925 1.00 0.56 C ATOM 1217 CD1 LEU A 84 -1.852 -9.224 -8.156 1.00 0.75 C ATOM 1218 CD2 LEU A 84 -0.076 -9.081 -9.911 1.00 0.67 C ATOM 0 H LEU A 84 -0.242 -13.466 -7.860 1.00 0.60 H new ATOM 0 HA LEU A 84 1.318 -11.555 -9.539 1.00 0.55 H new ATOM 0 HB2 LEU A 84 -0.270 -10.878 -7.012 1.00 0.50 H new ATOM 0 HB3 LEU A 84 0.972 -9.837 -7.680 1.00 0.50 H new ATOM 0 HG LEU A 84 -1.263 -10.825 -9.475 1.00 0.56 H new ATOM 0 HD11 LEU A 84 -2.576 -8.810 -8.858 1.00 0.75 H new ATOM 0 HD12 LEU A 84 -2.362 -9.887 -7.457 1.00 0.75 H new ATOM 0 HD13 LEU A 84 -1.376 -8.413 -7.605 1.00 0.75 H new ATOM 0 HD21 LEU A 84 -0.802 -8.669 -10.612 1.00 0.67 H new ATOM 0 HD22 LEU A 84 0.402 -8.268 -9.364 1.00 0.67 H new ATOM 0 HD23 LEU A 84 0.680 -9.642 -10.460 1.00 0.67 H new ATOM 1230 N ARG A 85 3.141 -11.505 -7.604 1.00 0.57 N ATOM 1231 CA ARG A 85 4.307 -11.865 -6.737 1.00 0.59 C ATOM 1232 C ARG A 85 4.853 -10.605 -6.056 1.00 0.55 C ATOM 1233 O ARG A 85 4.629 -9.499 -6.511 1.00 0.59 O ATOM 1234 CB ARG A 85 5.404 -12.500 -7.596 1.00 0.65 C ATOM 1235 CG ARG A 85 5.546 -13.979 -7.229 1.00 0.81 C ATOM 1236 CD ARG A 85 5.993 -14.772 -8.458 1.00 1.13 C ATOM 1237 NE ARG A 85 5.589 -16.199 -8.303 1.00 1.25 N ATOM 1238 CZ ARG A 85 4.437 -16.608 -8.767 1.00 1.40 C ATOM 1239 NH1 ARG A 85 4.233 -16.660 -10.058 1.00 1.86 N ATOM 1240 NH2 ARG A 85 3.487 -16.963 -7.940 1.00 1.55 N ATOM 0 H ARG A 85 3.256 -10.645 -8.140 1.00 0.57 H new ATOM 0 HA ARG A 85 3.985 -12.575 -5.975 1.00 0.59 H new ATOM 0 HB2 ARG A 85 5.158 -12.398 -8.653 1.00 0.65 H new ATOM 0 HB3 ARG A 85 6.350 -11.982 -7.438 1.00 0.65 H new ATOM 0 HG2 ARG A 85 6.272 -14.096 -6.424 1.00 0.81 H new ATOM 0 HG3 ARG A 85 4.596 -14.365 -6.860 1.00 0.81 H new ATOM 0 HD2 ARG A 85 5.544 -14.352 -9.358 1.00 1.13 H new ATOM 0 HD3 ARG A 85 7.074 -14.700 -8.577 1.00 1.13 H new ATOM 0 HE ARG A 85 6.212 -16.857 -7.834 1.00 1.25 H new ATOM 0 HH11 ARG A 85 4.973 -16.382 -10.703 1.00 1.86 H new ATOM 0 HH12 ARG A 85 3.334 -16.979 -10.420 1.00 1.86 H new ATOM 0 HH21 ARG A 85 3.645 -16.921 -6.933 1.00 1.55 H new ATOM 0 HH22 ARG A 85 2.588 -17.282 -8.302 1.00 1.55 H new ATOM 1254 N LEU A 86 5.569 -10.767 -4.968 1.00 0.52 N ATOM 1255 CA LEU A 86 6.133 -9.584 -4.250 1.00 0.48 C ATOM 1256 C LEU A 86 7.649 -9.513 -4.467 1.00 0.46 C ATOM 1257 O LEU A 86 8.365 -10.475 -4.246 1.00 0.51 O ATOM 1258 CB LEU A 86 5.836 -9.698 -2.751 1.00 0.51 C ATOM 1259 CG LEU A 86 5.676 -8.295 -2.154 1.00 0.61 C ATOM 1260 CD1 LEU A 86 4.528 -8.291 -1.139 1.00 0.61 C ATOM 1261 CD2 LEU A 86 6.979 -7.885 -1.457 1.00 0.91 C ATOM 0 H LEU A 86 5.786 -11.670 -4.547 1.00 0.52 H new ATOM 0 HA LEU A 86 5.672 -8.678 -4.644 1.00 0.48 H new ATOM 0 HB2 LEU A 86 4.927 -10.278 -2.593 1.00 0.51 H new ATOM 0 HB3 LEU A 86 6.645 -10.229 -2.248 1.00 0.51 H new ATOM 0 HG LEU A 86 5.451 -7.587 -2.952 1.00 0.61 H new ATOM 0 HD11 LEU A 86 4.418 -7.292 -0.718 1.00 0.61 H new ATOM 0 HD12 LEU A 86 3.602 -8.579 -1.636 1.00 0.61 H new ATOM 0 HD13 LEU A 86 4.746 -9.000 -0.340 1.00 0.61 H new ATOM 0 HD21 LEU A 86 6.866 -6.888 -1.032 1.00 0.91 H new ATOM 0 HD22 LEU A 86 7.205 -8.595 -0.661 1.00 0.91 H new ATOM 0 HD23 LEU A 86 7.793 -7.881 -2.181 1.00 0.91 H new ATOM 1273 N ILE A 87 8.135 -8.370 -4.892 1.00 0.46 N ATOM 1274 CA ILE A 87 9.603 -8.197 -5.127 1.00 0.45 C ATOM 1275 C ILE A 87 10.096 -6.950 -4.373 1.00 0.42 C ATOM 1276 O ILE A 87 9.322 -6.049 -4.099 1.00 0.46 O ATOM 1277 CB ILE A 87 9.876 -8.027 -6.629 1.00 0.49 C ATOM 1278 CG1 ILE A 87 8.964 -6.935 -7.207 1.00 0.50 C ATOM 1279 CG2 ILE A 87 9.611 -9.349 -7.355 1.00 0.58 C ATOM 1280 CD1 ILE A 87 9.641 -6.285 -8.415 1.00 0.61 C ATOM 0 H ILE A 87 7.571 -7.543 -5.088 1.00 0.46 H new ATOM 0 HA ILE A 87 10.131 -9.079 -4.765 1.00 0.45 H new ATOM 0 HB ILE A 87 10.917 -7.737 -6.769 1.00 0.49 H new ATOM 0 HG12 ILE A 87 8.007 -7.365 -7.502 1.00 0.50 H new ATOM 0 HG13 ILE A 87 8.754 -6.183 -6.447 1.00 0.50 H new ATOM 0 HG21 ILE A 87 9.806 -9.225 -8.420 1.00 0.58 H new ATOM 0 HG22 ILE A 87 10.267 -10.122 -6.954 1.00 0.58 H new ATOM 0 HG23 ILE A 87 8.572 -9.643 -7.208 1.00 0.58 H new ATOM 0 HD11 ILE A 87 8.992 -5.511 -8.823 1.00 0.61 H new ATOM 0 HD12 ILE A 87 10.587 -5.840 -8.106 1.00 0.61 H new ATOM 0 HD13 ILE A 87 9.828 -7.041 -9.178 1.00 0.61 H new ATOM 1292 N PRO A 88 11.374 -6.936 -4.060 1.00 0.42 N ATOM 1293 CA PRO A 88 12.008 -5.811 -3.338 1.00 0.45 C ATOM 1294 C PRO A 88 12.294 -4.639 -4.298 1.00 0.47 C ATOM 1295 O PRO A 88 13.418 -4.177 -4.410 1.00 0.57 O ATOM 1296 CB PRO A 88 13.308 -6.424 -2.803 1.00 0.56 C ATOM 1297 CG PRO A 88 13.623 -7.644 -3.702 1.00 0.56 C ATOM 1298 CD PRO A 88 12.303 -8.039 -4.391 1.00 0.47 C ATOM 0 HA PRO A 88 11.381 -5.396 -2.548 1.00 0.45 H new ATOM 0 HB2 PRO A 88 14.121 -5.698 -2.835 1.00 0.56 H new ATOM 0 HB3 PRO A 88 13.194 -6.728 -1.763 1.00 0.56 H new ATOM 0 HG2 PRO A 88 14.385 -7.394 -4.440 1.00 0.56 H new ATOM 0 HG3 PRO A 88 14.013 -8.471 -3.109 1.00 0.56 H new ATOM 0 HD2 PRO A 88 12.432 -8.141 -5.469 1.00 0.47 H new ATOM 0 HD3 PRO A 88 11.932 -8.995 -4.022 1.00 0.47 H new ATOM 1306 N ARG A 89 11.279 -4.156 -4.986 1.00 0.50 N ATOM 1307 CA ARG A 89 11.459 -3.014 -5.944 1.00 0.57 C ATOM 1308 C ARG A 89 12.358 -3.438 -7.120 1.00 0.58 C ATOM 1309 O ARG A 89 12.996 -4.476 -7.086 1.00 0.67 O ATOM 1310 CB ARG A 89 12.093 -1.821 -5.217 1.00 0.65 C ATOM 1311 CG ARG A 89 11.434 -0.520 -5.689 1.00 0.77 C ATOM 1312 CD ARG A 89 10.249 -0.186 -4.781 1.00 0.82 C ATOM 1313 NE ARG A 89 9.386 0.834 -5.443 1.00 0.77 N ATOM 1314 CZ ARG A 89 8.095 0.644 -5.526 1.00 0.76 C ATOM 1315 NH1 ARG A 89 7.593 0.005 -6.551 1.00 0.96 N ATOM 1316 NH2 ARG A 89 7.308 1.095 -4.584 1.00 0.90 N ATOM 0 H ARG A 89 10.324 -4.510 -4.922 1.00 0.50 H new ATOM 0 HA ARG A 89 10.482 -2.726 -6.332 1.00 0.57 H new ATOM 0 HB2 ARG A 89 11.970 -1.932 -4.140 1.00 0.65 H new ATOM 0 HB3 ARG A 89 13.165 -1.790 -5.414 1.00 0.65 H new ATOM 0 HG2 ARG A 89 12.159 0.294 -5.672 1.00 0.77 H new ATOM 0 HG3 ARG A 89 11.097 -0.625 -6.720 1.00 0.77 H new ATOM 0 HD2 ARG A 89 9.671 -1.087 -4.573 1.00 0.82 H new ATOM 0 HD3 ARG A 89 10.607 0.191 -3.823 1.00 0.82 H new ATOM 0 HE ARG A 89 9.803 1.680 -5.831 1.00 0.77 H new ATOM 0 HH11 ARG A 89 8.209 -0.345 -7.285 1.00 0.96 H new ATOM 0 HH12 ARG A 89 6.586 -0.143 -6.616 1.00 0.96 H new ATOM 0 HH21 ARG A 89 7.701 1.594 -3.786 1.00 0.90 H new ATOM 0 HH22 ARG A 89 6.301 0.948 -4.647 1.00 0.90 H new ATOM 1330 N ASP A 90 12.403 -2.630 -8.160 1.00 0.55 N ATOM 1331 CA ASP A 90 13.249 -2.946 -9.359 1.00 0.61 C ATOM 1332 C ASP A 90 12.666 -4.145 -10.122 1.00 0.68 C ATOM 1333 O ASP A 90 12.003 -4.996 -9.556 1.00 0.83 O ATOM 1334 CB ASP A 90 14.684 -3.269 -8.919 1.00 0.71 C ATOM 1335 CG ASP A 90 15.659 -2.941 -10.055 1.00 0.88 C ATOM 1336 OD1 ASP A 90 16.092 -1.803 -10.129 1.00 1.08 O ATOM 1337 OD2 ASP A 90 15.955 -3.835 -10.833 1.00 1.05 O ATOM 0 H ASP A 90 11.883 -1.755 -8.227 1.00 0.55 H new ATOM 0 HA ASP A 90 13.258 -2.076 -10.015 1.00 0.61 H new ATOM 0 HB2 ASP A 90 14.940 -2.693 -8.029 1.00 0.71 H new ATOM 0 HB3 ASP A 90 14.764 -4.322 -8.651 1.00 0.71 H new ATOM 1342 N ARG A 91 12.915 -4.215 -11.409 1.00 0.77 N ATOM 1343 CA ARG A 91 12.388 -5.351 -12.224 1.00 0.91 C ATOM 1344 C ARG A 91 13.253 -6.594 -11.981 1.00 0.93 C ATOM 1345 O ARG A 91 14.337 -6.726 -12.523 1.00 1.06 O ATOM 1346 CB ARG A 91 12.418 -4.971 -13.712 1.00 1.09 C ATOM 1347 CG ARG A 91 11.771 -6.084 -14.546 1.00 1.13 C ATOM 1348 CD ARG A 91 10.251 -6.051 -14.359 1.00 1.26 C ATOM 1349 NE ARG A 91 9.648 -7.276 -14.962 1.00 1.16 N ATOM 1350 CZ ARG A 91 9.511 -8.361 -14.244 1.00 1.02 C ATOM 1351 NH1 ARG A 91 8.563 -8.435 -13.347 1.00 1.39 N ATOM 1352 NH2 ARG A 91 10.322 -9.370 -14.425 1.00 1.21 N ATOM 0 H ARG A 91 13.463 -3.530 -11.930 1.00 0.77 H new ATOM 0 HA ARG A 91 11.360 -5.568 -11.933 1.00 0.91 H new ATOM 0 HB2 ARG A 91 11.887 -4.032 -13.868 1.00 1.09 H new ATOM 0 HB3 ARG A 91 13.447 -4.813 -14.036 1.00 1.09 H new ATOM 0 HG2 ARG A 91 12.021 -5.955 -15.599 1.00 1.13 H new ATOM 0 HG3 ARG A 91 12.164 -7.054 -14.242 1.00 1.13 H new ATOM 0 HD2 ARG A 91 10.006 -5.996 -13.298 1.00 1.26 H new ATOM 0 HD3 ARG A 91 9.836 -5.159 -14.829 1.00 1.26 H new ATOM 0 HE ARG A 91 9.342 -7.267 -15.935 1.00 1.16 H new ATOM 0 HH11 ARG A 91 7.931 -7.647 -13.207 1.00 1.39 H new ATOM 0 HH12 ARG A 91 8.456 -9.281 -12.787 1.00 1.39 H new ATOM 0 HH21 ARG A 91 11.061 -9.311 -15.126 1.00 1.21 H new ATOM 0 HH22 ARG A 91 10.216 -10.216 -13.866 1.00 1.21 H new ATOM 1366 N VAL A 92 12.777 -7.503 -11.162 1.00 0.91 N ATOM 1367 CA VAL A 92 13.557 -8.746 -10.866 1.00 1.01 C ATOM 1368 C VAL A 92 12.613 -9.956 -10.848 1.00 1.09 C ATOM 1369 O VAL A 92 11.500 -9.881 -10.355 1.00 1.11 O ATOM 1370 CB VAL A 92 14.258 -8.616 -9.504 1.00 0.95 C ATOM 1371 CG1 VAL A 92 15.396 -7.594 -9.608 1.00 1.06 C ATOM 1372 CG2 VAL A 92 13.257 -8.153 -8.438 1.00 0.91 C ATOM 0 H VAL A 92 11.878 -7.436 -10.685 1.00 0.91 H new ATOM 0 HA VAL A 92 14.310 -8.886 -11.641 1.00 1.01 H new ATOM 0 HB VAL A 92 14.661 -9.588 -9.219 1.00 0.95 H new ATOM 0 HG11 VAL A 92 15.892 -7.503 -8.642 1.00 1.06 H new ATOM 0 HG12 VAL A 92 16.116 -7.926 -10.356 1.00 1.06 H new ATOM 0 HG13 VAL A 92 14.990 -6.626 -9.900 1.00 1.06 H new ATOM 0 HG21 VAL A 92 13.764 -8.064 -7.477 1.00 0.91 H new ATOM 0 HG22 VAL A 92 12.845 -7.185 -8.722 1.00 0.91 H new ATOM 0 HG23 VAL A 92 12.450 -8.881 -8.356 1.00 0.91 H new ATOM 1382 N GLY A 93 13.054 -11.069 -11.386 1.00 1.31 N ATOM 1383 CA GLY A 93 12.198 -12.293 -11.411 1.00 1.43 C ATOM 1384 C GLY A 93 12.304 -13.020 -10.068 1.00 1.38 C ATOM 1385 O GLY A 93 11.367 -13.042 -9.294 1.00 1.62 O ATOM 0 H GLY A 93 13.975 -11.180 -11.810 1.00 1.31 H new ATOM 0 HA2 GLY A 93 11.161 -12.020 -11.608 1.00 1.43 H new ATOM 0 HA3 GLY A 93 12.513 -12.953 -12.219 1.00 1.43 H new ATOM 1389 N HIS A 94 13.444 -13.611 -9.791 1.00 1.28 N ATOM 1390 CA HIS A 94 13.628 -14.341 -8.499 1.00 1.25 C ATOM 1391 C HIS A 94 14.222 -13.391 -7.445 1.00 1.35 C ATOM 1392 O HIS A 94 13.615 -13.252 -6.397 1.00 1.40 O ATOM 1393 CB HIS A 94 14.568 -15.534 -8.716 1.00 1.31 C ATOM 1394 CG HIS A 94 14.379 -16.534 -7.607 1.00 1.26 C ATOM 1395 ND1 HIS A 94 13.339 -17.450 -7.608 1.00 1.38 N ATOM 1396 CD2 HIS A 94 15.089 -16.774 -6.457 1.00 1.41 C ATOM 1397 CE1 HIS A 94 13.452 -18.192 -6.492 1.00 1.45 C ATOM 1398 NE2 HIS A 94 14.501 -17.822 -5.754 1.00 1.48 N ATOM 1399 OXT HIS A 94 15.271 -12.817 -7.706 1.00 1.56 O ATOM 0 H HIS A 94 14.256 -13.618 -10.408 1.00 1.28 H new ATOM 0 HA HIS A 94 12.662 -14.703 -8.146 1.00 1.25 H new ATOM 0 HB2 HIS A 94 14.363 -16.001 -9.679 1.00 1.31 H new ATOM 0 HB3 HIS A 94 15.603 -15.194 -8.740 1.00 1.31 H new ATOM 0 HD2 HIS A 94 15.970 -16.232 -6.145 1.00 1.41 H new ATOM 0 HE1 HIS A 94 12.776 -18.991 -6.225 1.00 1.45 H new ATOM 0 HE2 HIS A 94 14.806 -18.221 -4.866 1.00 1.48 H new TER 1407 HIS A 94