USER MOD reduce.3.24.130724 H: found=0, std=0, add=1054, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1052 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 65 ASN : amide:sc= 1.7 K(o=1.6,f=-0.014) USER MOD Set 1.2: B 64 GLN : amide:sc= -0.111 K(o=1.6,f=-0.014) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 168:sc=-0.00474 (180deg=-0.174) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.08) USER MOD Single : A 9 THR OG1 : rot 110:sc= 0.851 USER MOD Single : A -3 GLY N :NH3+ -108:sc= 0.0675 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc=-0.00119 X(o=-0.0012,f=0) USER MOD Single : A 55 SER OG : rot 116:sc= 0.563 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.829 K(o=0.83,f=-0.018) USER MOD Single : B 0 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -171:sc= -0.0509 (180deg=-0.196) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B -3 GLY N :NH3+ -143:sc= 0.0353 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0.56 USER MOD Single : B 35 THR OG1 : rot -67:sc= 0.0379 USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 65 ASN : amide:sc= 0.665 K(o=0.66,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 1.504 5.059 -11.243 1.00 0.00 N ATOM 2 CA GLY A -3 2.941 5.146 -10.907 1.00 0.00 C ATOM 3 C GLY A -3 3.426 3.910 -10.148 1.00 0.00 C ATOM 4 O GLY A -3 2.609 3.163 -9.600 1.00 0.00 O ATOM 0 H1 GLY A -3 1.396 4.897 -12.265 1.00 0.00 H new ATOM 0 H2 GLY A -3 1.072 4.271 -10.720 1.00 0.00 H new ATOM 0 H3 GLY A -3 1.032 5.948 -10.981 1.00 0.00 H new ATOM 0 HA2 GLY A -3 3.521 5.261 -11.822 1.00 0.00 H new ATOM 0 HA3 GLY A -3 3.119 6.036 -10.303 1.00 0.00 H new ATOM 10 N PRO A -2 4.752 3.667 -10.094 1.00 0.00 N ATOM 11 CA PRO A -2 5.357 2.488 -9.454 1.00 0.00 C ATOM 12 C PRO A -2 5.297 2.507 -7.914 1.00 0.00 C ATOM 13 O PRO A -2 5.425 1.451 -7.285 1.00 0.00 O ATOM 14 CB PRO A -2 6.807 2.475 -9.956 1.00 0.00 C ATOM 15 CG PRO A -2 7.114 3.955 -10.168 1.00 0.00 C ATOM 16 CD PRO A -2 5.785 4.502 -10.692 1.00 0.00 C ATOM 0 HA PRO A -2 4.803 1.587 -9.719 1.00 0.00 H new ATOM 0 HB2 PRO A -2 7.481 2.024 -9.228 1.00 0.00 H new ATOM 0 HB3 PRO A -2 6.908 1.906 -10.880 1.00 0.00 H new ATOM 0 HG2 PRO A -2 7.415 4.443 -9.241 1.00 0.00 H new ATOM 0 HG3 PRO A -2 7.923 4.102 -10.884 1.00 0.00 H new ATOM 0 HD2 PRO A -2 5.654 5.547 -10.412 1.00 0.00 H new ATOM 0 HD3 PRO A -2 5.744 4.456 -11.780 1.00 0.00 H new ATOM 24 N GLY A -1 5.102 3.680 -7.292 1.00 0.00 N ATOM 25 CA GLY A -1 4.974 3.855 -5.840 1.00 0.00 C ATOM 26 C GLY A -1 4.476 5.250 -5.442 1.00 0.00 C ATOM 27 O GLY A -1 4.589 6.210 -6.215 1.00 0.00 O ATOM 0 H GLY A -1 5.027 4.559 -7.803 1.00 0.00 H new ATOM 0 HA2 GLY A -1 4.286 3.105 -5.449 1.00 0.00 H new ATOM 0 HA3 GLY A -1 5.942 3.674 -5.372 1.00 0.00 H new ATOM 31 N SER A 0 3.904 5.366 -4.238 1.00 0.00 N ATOM 32 CA SER A 0 3.385 6.631 -3.682 1.00 0.00 C ATOM 33 C SER A 0 4.508 7.573 -3.207 1.00 0.00 C ATOM 34 O SER A 0 5.592 7.120 -2.818 1.00 0.00 O ATOM 35 CB SER A 0 2.400 6.327 -2.547 1.00 0.00 C ATOM 36 OG SER A 0 1.762 7.511 -2.103 1.00 0.00 O ATOM 0 H SER A 0 3.784 4.573 -3.608 1.00 0.00 H new ATOM 0 HA SER A 0 2.864 7.159 -4.481 1.00 0.00 H new ATOM 0 HB2 SER A 0 1.652 5.613 -2.891 1.00 0.00 H new ATOM 0 HB3 SER A 0 2.929 5.860 -1.716 1.00 0.00 H new ATOM 0 HG SER A 0 1.137 7.294 -1.380 1.00 0.00 H new ATOM 42 N MET A 1 4.240 8.885 -3.198 1.00 0.00 N ATOM 43 CA MET A 1 5.131 9.954 -2.719 1.00 0.00 C ATOM 44 C MET A 1 4.394 10.957 -1.816 1.00 0.00 C ATOM 45 O MET A 1 3.181 11.152 -1.925 1.00 0.00 O ATOM 46 CB MET A 1 5.750 10.716 -3.909 1.00 0.00 C ATOM 47 CG MET A 1 6.620 9.826 -4.805 1.00 0.00 C ATOM 48 SD MET A 1 7.383 10.687 -6.216 1.00 0.00 S ATOM 49 CE MET A 1 8.506 11.840 -5.371 1.00 0.00 C ATOM 0 H MET A 1 3.352 9.250 -3.542 1.00 0.00 H new ATOM 0 HA MET A 1 5.915 9.472 -2.134 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.951 11.154 -4.508 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.354 11.541 -3.530 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.409 9.382 -4.198 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.009 9.006 -5.183 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.190 12.280 -6.097 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.925 12.630 -4.895 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.077 11.303 -4.614 1.00 0.00 H new ATOM 59 N CYS A 2 5.158 11.648 -0.967 1.00 0.00 N ATOM 60 CA CYS A 2 4.705 12.759 -0.125 1.00 0.00 C ATOM 61 C CYS A 2 5.689 13.938 -0.220 1.00 0.00 C ATOM 62 O CYS A 2 6.903 13.752 -0.340 1.00 0.00 O ATOM 63 CB CYS A 2 4.512 12.275 1.321 1.00 0.00 C ATOM 64 SG CYS A 2 2.896 11.525 1.645 1.00 0.00 S ATOM 0 H CYS A 2 6.149 11.441 -0.842 1.00 0.00 H new ATOM 0 HA CYS A 2 3.740 13.118 -0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 2 5.290 11.549 1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.650 13.120 1.996 1.00 0.00 H new ATOM 69 N MET A 3 5.157 15.160 -0.172 1.00 0.00 N ATOM 70 CA MET A 3 5.901 16.414 -0.350 1.00 0.00 C ATOM 71 C MET A 3 5.220 17.585 0.373 1.00 0.00 C ATOM 72 O MET A 3 4.063 17.477 0.797 1.00 0.00 O ATOM 73 CB MET A 3 6.072 16.693 -1.855 1.00 0.00 C ATOM 74 CG MET A 3 4.770 17.045 -2.582 1.00 0.00 C ATOM 75 SD MET A 3 4.991 17.246 -4.369 1.00 0.00 S ATOM 76 CE MET A 3 3.289 17.672 -4.826 1.00 0.00 C ATOM 0 H MET A 3 4.163 15.312 -0.003 1.00 0.00 H new ATOM 0 HA MET A 3 6.887 16.308 0.103 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.779 17.513 -1.983 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.513 15.815 -2.328 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.034 16.262 -2.398 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.365 17.967 -2.165 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.231 17.834 -5.902 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.622 16.857 -4.545 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.989 18.582 -4.306 1.00 0.00 H new ATOM 86 N ALA A 4 5.919 18.715 0.483 1.00 0.00 N ATOM 87 CA ALA A 4 5.434 19.952 1.097 1.00 0.00 C ATOM 88 C ALA A 4 5.869 21.210 0.313 1.00 0.00 C ATOM 89 O ALA A 4 6.672 21.137 -0.618 1.00 0.00 O ATOM 90 CB ALA A 4 5.925 19.992 2.558 1.00 0.00 C ATOM 0 H ALA A 4 6.874 18.797 0.134 1.00 0.00 H new ATOM 0 HA ALA A 4 4.344 19.958 1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.574 20.907 3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.534 19.129 3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.015 19.968 2.576 1.00 0.00 H new ATOM 96 N LYS A 5 5.360 22.374 0.722 1.00 0.00 N ATOM 97 CA LYS A 5 5.908 23.694 0.373 1.00 0.00 C ATOM 98 C LYS A 5 6.685 24.292 1.552 1.00 0.00 C ATOM 99 O LYS A 5 6.221 24.230 2.692 1.00 0.00 O ATOM 100 CB LYS A 5 4.800 24.631 -0.150 1.00 0.00 C ATOM 101 CG LYS A 5 3.643 24.867 0.842 1.00 0.00 C ATOM 102 CD LYS A 5 2.565 25.824 0.314 1.00 0.00 C ATOM 103 CE LYS A 5 3.110 27.251 0.195 1.00 0.00 C ATOM 104 NZ LYS A 5 2.077 28.194 -0.291 1.00 0.00 N1+ ATOM 0 H LYS A 5 4.535 22.430 1.320 1.00 0.00 H new ATOM 0 HA LYS A 5 6.622 23.572 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.245 25.593 -0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.393 24.214 -1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.181 23.910 1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.048 25.267 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.215 25.482 -0.660 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.705 25.814 0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.477 27.582 1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.960 27.260 -0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.532 29.071 -0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.556 27.762 -1.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.416 28.413 0.481 1.00 0.00 H new ATOM 118 N VAL A 6 7.845 24.888 1.283 1.00 0.00 N ATOM 119 CA VAL A 6 8.608 25.695 2.252 1.00 0.00 C ATOM 120 C VAL A 6 8.259 27.176 2.087 1.00 0.00 C ATOM 121 O VAL A 6 8.151 27.670 0.963 1.00 0.00 O ATOM 122 CB VAL A 6 10.125 25.450 2.130 1.00 0.00 C ATOM 123 CG1 VAL A 6 10.969 26.452 2.937 1.00 0.00 C ATOM 124 CG2 VAL A 6 10.477 24.049 2.643 1.00 0.00 C ATOM 0 H VAL A 6 8.295 24.826 0.370 1.00 0.00 H new ATOM 0 HA VAL A 6 8.324 25.384 3.257 1.00 0.00 H new ATOM 0 HB VAL A 6 10.357 25.567 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.027 26.224 2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.770 27.463 2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.709 26.380 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.551 23.887 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.184 23.960 3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.946 23.302 2.053 1.00 0.00 H new ATOM 134 N VAL A 7 8.143 27.893 3.201 1.00 0.00 N ATOM 135 CA VAL A 7 8.037 29.363 3.249 1.00 0.00 C ATOM 136 C VAL A 7 8.935 29.938 4.350 1.00 0.00 C ATOM 137 O VAL A 7 9.073 29.351 5.426 1.00 0.00 O ATOM 138 CB VAL A 7 6.563 29.809 3.361 1.00 0.00 C ATOM 139 CG1 VAL A 7 5.896 29.378 4.672 1.00 0.00 C ATOM 140 CG2 VAL A 7 6.417 31.326 3.201 1.00 0.00 C ATOM 0 H VAL A 7 8.119 27.463 4.126 1.00 0.00 H new ATOM 0 HA VAL A 7 8.405 29.775 2.309 1.00 0.00 H new ATOM 0 HB VAL A 7 6.051 29.302 2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.862 29.724 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.916 28.291 4.750 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.435 29.812 5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.366 31.601 3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.988 31.831 3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.793 31.627 2.223 1.00 0.00 H new ATOM 150 N LEU A 8 9.571 31.073 4.060 1.00 0.00 N ATOM 151 CA LEU A 8 10.564 31.714 4.930 1.00 0.00 C ATOM 152 C LEU A 8 10.616 33.231 4.734 1.00 0.00 C ATOM 153 O LEU A 8 10.276 33.740 3.665 1.00 0.00 O ATOM 154 CB LEU A 8 11.942 31.064 4.693 1.00 0.00 C ATOM 155 CG LEU A 8 12.573 31.345 3.310 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.499 32.571 3.312 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.414 30.152 2.866 1.00 0.00 C ATOM 0 H LEU A 8 9.408 31.586 3.194 1.00 0.00 H new ATOM 0 HA LEU A 8 10.266 31.557 5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.628 31.413 5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.843 29.986 4.817 1.00 0.00 H new ATOM 0 HG LEU A 8 11.739 31.530 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.912 32.717 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.932 33.455 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.312 32.412 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.854 30.360 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.208 29.976 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.782 29.267 2.797 1.00 0.00 H new ATOM 169 N THR A 9 11.127 33.936 5.744 1.00 0.00 N ATOM 170 CA THR A 9 11.539 35.346 5.650 1.00 0.00 C ATOM 171 C THR A 9 12.931 35.500 6.267 1.00 0.00 C ATOM 172 O THR A 9 13.132 35.200 7.445 1.00 0.00 O ATOM 173 CB THR A 9 10.539 36.296 6.327 1.00 0.00 C ATOM 174 OG1 THR A 9 9.210 35.999 5.948 1.00 0.00 O ATOM 175 CG2 THR A 9 10.784 37.754 5.938 1.00 0.00 C ATOM 0 H THR A 9 11.271 33.538 6.672 1.00 0.00 H new ATOM 0 HA THR A 9 11.564 35.623 4.596 1.00 0.00 H new ATOM 0 HB THR A 9 10.683 36.157 7.398 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.730 35.616 6.712 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.055 38.392 6.439 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.790 38.047 6.239 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.682 37.865 4.858 1.00 0.00 H new ATOM 183 N LYS A 10 13.907 35.944 5.466 1.00 0.00 N ATOM 184 CA LYS A 10 15.300 36.188 5.888 1.00 0.00 C ATOM 185 C LYS A 10 15.414 37.338 6.899 1.00 0.00 C ATOM 186 O LYS A 10 14.546 38.208 6.965 1.00 0.00 O ATOM 187 CB LYS A 10 16.156 36.469 4.642 1.00 0.00 C ATOM 188 CG LYS A 10 16.427 35.190 3.836 1.00 0.00 C ATOM 189 CD LYS A 10 17.184 35.485 2.535 1.00 0.00 C ATOM 190 CE LYS A 10 16.248 35.997 1.438 1.00 0.00 C ATOM 191 NZ LYS A 10 16.989 36.286 0.183 1.00 0.00 N1+ ATOM 0 H LYS A 10 13.750 36.150 4.479 1.00 0.00 H new ATOM 0 HA LYS A 10 15.664 35.296 6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 10 15.649 37.197 4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.103 36.915 4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.006 34.494 4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 10 15.482 34.700 3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.960 36.226 2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.685 34.580 2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.474 35.255 1.242 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.744 36.901 1.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.326 36.631 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.711 37.012 0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.450 35.417 -0.156 1.00 0.00 H new ATOM 205 N ALA A 11 16.532 37.384 7.621 1.00 0.00 N ATOM 206 CA ALA A 11 16.880 38.481 8.537 1.00 0.00 C ATOM 207 C ALA A 11 17.001 39.851 7.831 1.00 0.00 C ATOM 208 O ALA A 11 16.754 40.895 8.440 1.00 0.00 O ATOM 209 CB ALA A 11 18.190 38.094 9.240 1.00 0.00 C ATOM 0 H ALA A 11 17.238 36.649 7.589 1.00 0.00 H new ATOM 0 HA ALA A 11 16.074 38.610 9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.481 38.886 9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.046 37.166 9.793 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.975 37.955 8.496 1.00 0.00 H new ATOM 215 N ASP A 12 17.333 39.859 6.533 1.00 0.00 N ATOM 216 CA ASP A 12 17.356 41.036 5.656 1.00 0.00 C ATOM 217 C ASP A 12 15.952 41.497 5.193 1.00 0.00 C ATOM 218 O ASP A 12 15.825 42.501 4.487 1.00 0.00 O ATOM 219 CB ASP A 12 18.248 40.701 4.444 1.00 0.00 C ATOM 220 CG ASP A 12 19.734 40.455 4.769 1.00 0.00 C ATOM 221 OD1 ASP A 12 20.218 40.834 5.864 1.00 0.00 O ATOM 222 OD2 ASP A 12 20.438 39.890 3.895 1.00 0.00 O1- ATOM 0 H ASP A 12 17.605 39.006 6.044 1.00 0.00 H new ATOM 0 HA ASP A 12 17.756 41.876 6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 12 17.848 39.813 3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 12 18.180 41.519 3.727 1.00 0.00 H new ATOM 227 N GLY A 13 14.893 40.763 5.569 1.00 0.00 N ATOM 228 CA GLY A 13 13.496 41.019 5.188 1.00 0.00 C ATOM 229 C GLY A 13 13.059 40.353 3.873 1.00 0.00 C ATOM 230 O GLY A 13 11.935 40.577 3.420 1.00 0.00 O ATOM 0 H GLY A 13 14.990 39.944 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.845 40.671 5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.348 42.095 5.101 1.00 0.00 H new ATOM 234 N GLY A 14 13.924 39.540 3.242 1.00 0.00 N ATOM 235 CA GLY A 14 13.629 38.857 1.978 1.00 0.00 C ATOM 236 C GLY A 14 12.754 37.619 2.165 1.00 0.00 C ATOM 237 O GLY A 14 13.214 36.618 2.727 1.00 0.00 O ATOM 0 H GLY A 14 14.857 39.339 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.129 39.551 1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 14 14.565 38.566 1.500 1.00 0.00 H new ATOM 241 N ARG A 15 11.500 37.676 1.707 1.00 0.00 N ATOM 242 CA ARG A 15 10.539 36.562 1.749 1.00 0.00 C ATOM 243 C ARG A 15 10.679 35.638 0.533 1.00 0.00 C ATOM 244 O ARG A 15 10.790 36.118 -0.598 1.00 0.00 O ATOM 245 CB ARG A 15 9.122 37.141 1.906 1.00 0.00 C ATOM 246 CG ARG A 15 8.039 36.058 2.061 1.00 0.00 C ATOM 247 CD ARG A 15 6.788 36.610 2.754 1.00 0.00 C ATOM 248 NE ARG A 15 7.051 36.867 4.183 1.00 0.00 N ATOM 249 CZ ARG A 15 6.333 37.565 5.038 1.00 0.00 C ATOM 250 NH1 ARG A 15 5.203 38.128 4.714 1.00 0.00 N1+ ATOM 251 NH2 ARG A 15 6.765 37.705 6.255 1.00 0.00 N ATOM 0 H ARG A 15 11.112 38.519 1.285 1.00 0.00 H new ATOM 0 HA ARG A 15 10.750 35.927 2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.099 37.797 2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.890 37.757 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.770 35.668 1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.437 35.223 2.638 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.473 37.532 2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.967 35.900 2.653 1.00 0.00 H new ATOM 0 HE ARG A 15 7.902 36.448 4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.842 38.037 3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.680 38.660 5.410 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.648 37.277 6.535 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.222 38.242 6.930 1.00 0.00 H new ATOM 265 N VAL A 16 10.659 34.317 0.765 1.00 0.00 N ATOM 266 CA VAL A 16 10.855 33.270 -0.266 1.00 0.00 C ATOM 267 C VAL A 16 9.894 32.093 -0.045 1.00 0.00 C ATOM 268 O VAL A 16 9.537 31.768 1.091 1.00 0.00 O ATOM 269 CB VAL A 16 12.332 32.790 -0.323 1.00 0.00 C ATOM 270 CG1 VAL A 16 12.600 31.828 -1.485 1.00 0.00 C ATOM 271 CG2 VAL A 16 13.340 33.945 -0.439 1.00 0.00 C ATOM 0 H VAL A 16 10.503 33.931 1.696 1.00 0.00 H new ATOM 0 HA VAL A 16 10.623 33.715 -1.234 1.00 0.00 H new ATOM 0 HB VAL A 16 12.475 32.275 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.648 31.527 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.968 30.946 -1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.376 32.326 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 16 14.352 33.542 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 16 13.142 34.510 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.241 34.602 0.425 1.00 0.00 H new ATOM 281 N GLU A 17 9.476 31.447 -1.132 1.00 0.00 N ATOM 282 CA GLU A 17 8.540 30.317 -1.152 1.00 0.00 C ATOM 283 C GLU A 17 8.996 29.275 -2.190 1.00 0.00 C ATOM 284 O GLU A 17 9.382 29.633 -3.309 1.00 0.00 O ATOM 285 CB GLU A 17 7.140 30.885 -1.445 1.00 0.00 C ATOM 286 CG GLU A 17 6.046 29.821 -1.530 1.00 0.00 C ATOM 287 CD GLU A 17 4.677 30.463 -1.841 1.00 0.00 C ATOM 288 OE1 GLU A 17 4.523 31.113 -2.904 1.00 0.00 O ATOM 289 OE2 GLU A 17 3.730 30.302 -1.031 1.00 0.00 O1- ATOM 0 H GLU A 17 9.793 31.706 -2.066 1.00 0.00 H new ATOM 0 HA GLU A 17 8.513 29.797 -0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.878 31.600 -0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.171 31.436 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.297 29.097 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.991 29.274 -0.589 1.00 0.00 H new ATOM 296 N ILE A 18 8.980 27.986 -1.827 1.00 0.00 N ATOM 297 CA ILE A 18 9.460 26.862 -2.656 1.00 0.00 C ATOM 298 C ILE A 18 8.436 25.721 -2.617 1.00 0.00 C ATOM 299 O ILE A 18 8.109 25.219 -1.541 1.00 0.00 O ATOM 300 CB ILE A 18 10.848 26.364 -2.177 1.00 0.00 C ATOM 301 CG1 ILE A 18 11.915 27.487 -2.162 1.00 0.00 C ATOM 302 CG2 ILE A 18 11.354 25.196 -3.056 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.176 27.117 -1.373 1.00 0.00 C ATOM 0 H ILE A 18 8.623 27.682 -0.921 1.00 0.00 H new ATOM 0 HA ILE A 18 9.572 27.211 -3.683 1.00 0.00 H new ATOM 0 HB ILE A 18 10.705 26.020 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.194 27.726 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.478 28.388 -1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.329 24.867 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.648 24.367 -3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.441 25.530 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.881 27.948 -1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.908 26.906 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.636 26.234 -1.816 1.00 0.00 H new ATOM 315 N GLY A 19 7.937 25.294 -3.780 1.00 0.00 N ATOM 316 CA GLY A 19 7.015 24.158 -3.915 1.00 0.00 C ATOM 317 C GLY A 19 7.714 22.809 -4.126 1.00 0.00 C ATOM 318 O GLY A 19 8.914 22.743 -4.404 1.00 0.00 O ATOM 0 H GLY A 19 8.165 25.734 -4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.395 24.098 -3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.346 24.344 -4.755 1.00 0.00 H new ATOM 322 N ASP A 20 6.947 21.719 -4.032 1.00 0.00 N ATOM 323 CA ASP A 20 7.356 20.341 -4.375 1.00 0.00 C ATOM 324 C ASP A 20 8.598 19.822 -3.607 1.00 0.00 C ATOM 325 O ASP A 20 9.404 19.050 -4.132 1.00 0.00 O ATOM 326 CB ASP A 20 7.465 20.169 -5.907 1.00 0.00 C ATOM 327 CG ASP A 20 6.252 20.649 -6.724 1.00 0.00 C ATOM 328 OD1 ASP A 20 6.422 20.875 -7.945 1.00 0.00 O ATOM 329 OD2 ASP A 20 5.123 20.776 -6.188 1.00 0.00 O1- ATOM 0 H ASP A 20 5.983 21.767 -3.702 1.00 0.00 H new ATOM 0 HA ASP A 20 6.558 19.689 -4.021 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.347 20.708 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.631 19.114 -6.124 1.00 0.00 H new ATOM 334 N VAL A 21 8.770 20.263 -2.356 1.00 0.00 N ATOM 335 CA VAL A 21 9.890 19.918 -1.465 1.00 0.00 C ATOM 336 C VAL A 21 9.736 18.502 -0.904 1.00 0.00 C ATOM 337 O VAL A 21 8.720 18.187 -0.277 1.00 0.00 O ATOM 338 CB VAL A 21 10.028 20.947 -0.331 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.143 20.579 0.653 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.335 22.336 -0.906 1.00 0.00 C ATOM 0 H VAL A 21 8.105 20.898 -1.915 1.00 0.00 H new ATOM 0 HA VAL A 21 10.805 19.943 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 21 9.077 20.952 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.202 21.335 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.927 19.609 1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.094 20.530 0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.430 23.054 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.268 22.299 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.525 22.643 -1.568 1.00 0.00 H new ATOM 350 N LEU A 22 10.758 17.658 -1.089 1.00 0.00 N ATOM 351 CA LEU A 22 10.814 16.297 -0.548 1.00 0.00 C ATOM 352 C LEU A 22 11.519 16.214 0.814 1.00 0.00 C ATOM 353 O LEU A 22 11.234 15.307 1.597 1.00 0.00 O ATOM 354 CB LEU A 22 11.522 15.381 -1.568 1.00 0.00 C ATOM 355 CG LEU A 22 10.771 15.157 -2.891 1.00 0.00 C ATOM 356 CD1 LEU A 22 11.465 14.055 -3.695 1.00 0.00 C ATOM 357 CD2 LEU A 22 9.324 14.711 -2.690 1.00 0.00 C ATOM 0 H LEU A 22 11.586 17.908 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 22 9.788 15.969 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.500 15.806 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.695 14.412 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 22 10.777 16.117 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.931 13.898 -4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.492 14.352 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.466 13.130 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.849 14.570 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.306 13.772 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.783 15.473 -2.128 1.00 0.00 H new ATOM 369 N GLU A 23 12.443 17.132 1.104 1.00 0.00 N ATOM 370 CA GLU A 23 13.283 17.099 2.307 1.00 0.00 C ATOM 371 C GLU A 23 13.874 18.470 2.688 1.00 0.00 C ATOM 372 O GLU A 23 14.191 19.293 1.825 1.00 0.00 O ATOM 373 CB GLU A 23 14.391 16.047 2.147 1.00 0.00 C ATOM 374 CG GLU A 23 15.301 16.239 0.921 1.00 0.00 C ATOM 375 CD GLU A 23 15.958 14.909 0.530 1.00 0.00 C ATOM 376 OE1 GLU A 23 17.158 14.718 0.848 1.00 0.00 O ATOM 377 OE2 GLU A 23 15.278 14.051 -0.088 1.00 0.00 O1- ATOM 0 H GLU A 23 12.633 17.933 0.501 1.00 0.00 H new ATOM 0 HA GLU A 23 12.631 16.821 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.010 16.054 3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.929 15.062 2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.718 16.624 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.069 16.980 1.142 1.00 0.00 H new ATOM 384 N VAL A 24 14.034 18.702 3.995 1.00 0.00 N ATOM 385 CA VAL A 24 14.566 19.938 4.610 1.00 0.00 C ATOM 386 C VAL A 24 15.508 19.604 5.779 1.00 0.00 C ATOM 387 O VAL A 24 15.238 18.674 6.547 1.00 0.00 O ATOM 388 CB VAL A 24 13.428 20.873 5.079 1.00 0.00 C ATOM 389 CG1 VAL A 24 13.941 22.203 5.650 1.00 0.00 C ATOM 390 CG2 VAL A 24 12.470 21.229 3.939 1.00 0.00 C ATOM 0 H VAL A 24 13.786 18.002 4.694 1.00 0.00 H new ATOM 0 HA VAL A 24 15.136 20.466 3.846 1.00 0.00 H new ATOM 0 HB VAL A 24 12.917 20.305 5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.095 22.816 5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.583 22.007 6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.510 22.732 4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.687 21.887 4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.020 21.735 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.020 20.318 3.544 1.00 0.00 H new ATOM 400 N ARG A 25 16.612 20.348 5.937 1.00 0.00 N ATOM 401 CA ARG A 25 17.659 20.098 6.960 1.00 0.00 C ATOM 402 C ARG A 25 18.167 21.391 7.610 1.00 0.00 C ATOM 403 O ARG A 25 18.583 22.308 6.902 1.00 0.00 O ATOM 404 CB ARG A 25 18.832 19.318 6.326 1.00 0.00 C ATOM 405 CG ARG A 25 18.417 17.965 5.727 1.00 0.00 C ATOM 406 CD ARG A 25 19.635 17.147 5.279 1.00 0.00 C ATOM 407 NE ARG A 25 19.233 15.818 4.777 1.00 0.00 N ATOM 408 CZ ARG A 25 18.765 15.523 3.579 1.00 0.00 C ATOM 409 NH1 ARG A 25 18.626 16.400 2.628 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 18.396 14.318 3.280 1.00 0.00 N ATOM 0 H ARG A 25 16.814 21.158 5.350 1.00 0.00 H new ATOM 0 HA ARG A 25 17.206 19.503 7.753 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.284 19.929 5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 25 19.598 19.151 7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 25 17.849 17.399 6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 25 17.757 18.131 4.876 1.00 0.00 H new ATOM 0 HD2 ARG A 25 20.171 17.686 4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 25 20.324 17.029 6.115 1.00 0.00 H new ATOM 0 HE ARG A 25 19.328 15.040 5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.885 17.373 2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 25 18.258 16.114 1.720 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.464 13.576 3.977 1.00 0.00 H new ATOM 0 HH22 ARG A 25 18.037 14.111 2.348 1.00 0.00 H new ATOM 424 N ALA A 26 18.159 21.464 8.941 1.00 0.00 N ATOM 425 CA ALA A 26 18.739 22.560 9.724 1.00 0.00 C ATOM 426 C ALA A 26 20.160 22.195 10.198 1.00 0.00 C ATOM 427 O ALA A 26 20.360 21.201 10.901 1.00 0.00 O ATOM 428 CB ALA A 26 17.812 22.877 10.903 1.00 0.00 C ATOM 0 H ALA A 26 17.736 20.741 9.524 1.00 0.00 H new ATOM 0 HA ALA A 26 18.829 23.451 9.102 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.236 23.691 11.491 1.00 0.00 H new ATOM 0 HB2 ALA A 26 16.833 23.173 10.527 1.00 0.00 H new ATOM 0 HB3 ALA A 26 17.707 21.993 11.531 1.00 0.00 H new ATOM 434 N GLU A 27 21.151 23.005 9.819 1.00 0.00 N ATOM 435 CA GLU A 27 22.583 22.664 9.899 1.00 0.00 C ATOM 436 C GLU A 27 23.341 23.385 11.030 1.00 0.00 C ATOM 437 O GLU A 27 24.576 23.392 11.065 1.00 0.00 O ATOM 438 CB GLU A 27 23.246 22.894 8.525 1.00 0.00 C ATOM 439 CG GLU A 27 22.525 22.280 7.307 1.00 0.00 C ATOM 440 CD GLU A 27 22.575 20.738 7.261 1.00 0.00 C ATOM 441 OE1 GLU A 27 22.322 20.072 8.294 1.00 0.00 O ATOM 442 OE2 GLU A 27 22.864 20.168 6.181 1.00 0.00 O1- ATOM 0 H GLU A 27 20.983 23.937 9.439 1.00 0.00 H new ATOM 0 HA GLU A 27 22.645 21.608 10.161 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.336 23.968 8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.258 22.492 8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.483 22.600 7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 27 22.973 22.675 6.395 1.00 0.00 H new ATOM 449 N GLY A 28 22.608 24.016 11.949 1.00 0.00 N ATOM 450 CA GLY A 28 23.170 24.768 13.087 1.00 0.00 C ATOM 451 C GLY A 28 23.800 26.112 12.681 1.00 0.00 C ATOM 452 O GLY A 28 24.785 26.549 13.278 1.00 0.00 O ATOM 0 H GLY A 28 21.588 24.023 11.928 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.381 24.951 13.817 1.00 0.00 H new ATOM 0 HA3 GLY A 28 23.925 24.156 13.580 1.00 0.00 H new ATOM 456 N GLY A 29 23.280 26.726 11.613 1.00 0.00 N ATOM 457 CA GLY A 29 23.763 27.986 11.024 1.00 0.00 C ATOM 458 C GLY A 29 23.062 28.368 9.712 1.00 0.00 C ATOM 459 O GLY A 29 23.074 29.538 9.322 1.00 0.00 O ATOM 0 H GLY A 29 22.477 26.345 11.112 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.624 28.790 11.746 1.00 0.00 H new ATOM 0 HA3 GLY A 29 24.834 27.903 10.841 1.00 0.00 H new ATOM 463 N ALA A 30 22.421 27.407 9.040 1.00 0.00 N ATOM 464 CA ALA A 30 21.609 27.589 7.838 1.00 0.00 C ATOM 465 C ALA A 30 20.556 26.472 7.720 1.00 0.00 C ATOM 466 O ALA A 30 20.725 25.387 8.286 1.00 0.00 O ATOM 467 CB ALA A 30 22.535 27.585 6.611 1.00 0.00 C ATOM 0 H ALA A 30 22.458 26.432 9.337 1.00 0.00 H new ATOM 0 HA ALA A 30 21.080 28.540 7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.941 27.720 5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.256 28.398 6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.065 26.634 6.558 1.00 0.00 H new ATOM 473 N VAL A 31 19.497 26.718 6.948 1.00 0.00 N ATOM 474 CA VAL A 31 18.575 25.665 6.470 1.00 0.00 C ATOM 475 C VAL A 31 18.821 25.354 4.992 1.00 0.00 C ATOM 476 O VAL A 31 18.995 26.265 4.183 1.00 0.00 O ATOM 477 CB VAL A 31 17.096 26.012 6.742 1.00 0.00 C ATOM 478 CG1 VAL A 31 16.130 24.968 6.168 1.00 0.00 C ATOM 479 CG2 VAL A 31 16.826 26.083 8.247 1.00 0.00 C ATOM 0 H VAL A 31 19.246 27.654 6.631 1.00 0.00 H new ATOM 0 HA VAL A 31 18.789 24.763 7.043 1.00 0.00 H new ATOM 0 HB VAL A 31 16.926 26.974 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.104 25.262 6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.265 24.902 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.334 23.997 6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.778 26.329 8.417 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.051 25.119 8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.456 26.852 8.694 1.00 0.00 H new ATOM 489 N ARG A 32 18.788 24.065 4.637 1.00 0.00 N ATOM 490 CA ARG A 32 18.823 23.525 3.268 1.00 0.00 C ATOM 491 C ARG A 32 17.485 22.873 2.906 1.00 0.00 C ATOM 492 O ARG A 32 16.839 22.278 3.768 1.00 0.00 O ATOM 493 CB ARG A 32 19.982 22.523 3.135 1.00 0.00 C ATOM 494 CG ARG A 32 21.364 23.196 3.220 1.00 0.00 C ATOM 495 CD ARG A 32 22.486 22.176 3.431 1.00 0.00 C ATOM 496 NE ARG A 32 22.591 21.219 2.317 1.00 0.00 N ATOM 497 CZ ARG A 32 22.739 19.909 2.379 1.00 0.00 C ATOM 498 NH1 ARG A 32 22.862 19.261 3.504 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 22.756 19.209 1.279 1.00 0.00 N ATOM 0 H ARG A 32 18.733 23.325 5.337 1.00 0.00 H new ATOM 0 HA ARG A 32 18.989 24.344 2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 32 19.899 21.772 3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 32 19.896 21.999 2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.551 23.757 2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.368 23.914 4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.434 22.701 3.546 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.309 21.632 4.359 1.00 0.00 H new ATOM 0 HE ARG A 32 22.543 21.619 1.380 1.00 0.00 H new ATOM 0 HH11 ARG A 32 22.846 19.768 4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 32 22.974 18.247 3.499 1.00 0.00 H new ATOM 0 HH21 ARG A 32 22.655 19.674 0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 32 22.870 18.196 1.321 1.00 0.00 H new ATOM 513 N VAL A 33 17.081 22.975 1.643 1.00 0.00 N ATOM 514 CA VAL A 33 15.767 22.569 1.095 1.00 0.00 C ATOM 515 C VAL A 33 15.975 21.890 -0.261 1.00 0.00 C ATOM 516 O VAL A 33 16.701 22.436 -1.083 1.00 0.00 O ATOM 517 CB VAL A 33 14.870 23.817 0.913 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.525 23.489 0.250 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.582 24.532 2.237 1.00 0.00 C ATOM 0 H VAL A 33 17.689 23.365 0.923 1.00 0.00 H new ATOM 0 HA VAL A 33 15.284 21.876 1.784 1.00 0.00 H new ATOM 0 HB VAL A 33 15.445 24.474 0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.938 24.401 0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.701 23.058 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 33 12.980 22.774 0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.949 25.400 2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.072 23.849 2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.520 24.857 2.687 1.00 0.00 H new ATOM 529 N THR A 34 15.332 20.746 -0.540 1.00 0.00 N ATOM 530 CA THR A 34 15.481 20.034 -1.834 1.00 0.00 C ATOM 531 C THR A 34 14.136 19.588 -2.425 1.00 0.00 C ATOM 532 O THR A 34 13.325 18.947 -1.755 1.00 0.00 O ATOM 533 CB THR A 34 16.456 18.848 -1.720 1.00 0.00 C ATOM 534 OG1 THR A 34 17.717 19.288 -1.262 1.00 0.00 O ATOM 535 CG2 THR A 34 16.714 18.146 -3.056 1.00 0.00 C ATOM 0 H THR A 34 14.698 20.286 0.113 1.00 0.00 H new ATOM 0 HA THR A 34 15.907 20.756 -2.531 1.00 0.00 H new ATOM 0 HB THR A 34 15.979 18.154 -1.028 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.325 18.523 -1.193 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.409 17.320 -2.905 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.774 17.761 -3.452 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.142 18.856 -3.763 1.00 0.00 H new ATOM 543 N THR A 35 13.904 19.913 -3.699 1.00 0.00 N ATOM 544 CA THR A 35 12.690 19.567 -4.465 1.00 0.00 C ATOM 545 C THR A 35 12.743 18.166 -5.092 1.00 0.00 C ATOM 546 O THR A 35 13.802 17.535 -5.151 1.00 0.00 O ATOM 547 CB THR A 35 12.419 20.611 -5.567 1.00 0.00 C ATOM 548 OG1 THR A 35 13.398 20.500 -6.577 1.00 0.00 O ATOM 549 CG2 THR A 35 12.422 22.051 -5.048 1.00 0.00 C ATOM 0 H THR A 35 14.577 20.444 -4.252 1.00 0.00 H new ATOM 0 HA THR A 35 11.875 19.568 -3.742 1.00 0.00 H new ATOM 0 HB THR A 35 11.422 20.399 -5.954 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.223 21.163 -7.277 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.225 22.736 -5.873 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.648 22.166 -4.289 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.395 22.279 -4.612 1.00 0.00 H new ATOM 557 N LEU A 36 11.611 17.687 -5.628 1.00 0.00 N ATOM 558 CA LEU A 36 11.551 16.433 -6.412 1.00 0.00 C ATOM 559 C LEU A 36 12.335 16.476 -7.747 1.00 0.00 C ATOM 560 O LEU A 36 12.576 15.430 -8.354 1.00 0.00 O ATOM 561 CB LEU A 36 10.081 15.981 -6.569 1.00 0.00 C ATOM 562 CG LEU A 36 9.154 16.840 -7.457 1.00 0.00 C ATOM 563 CD1 LEU A 36 9.332 16.605 -8.961 1.00 0.00 C ATOM 564 CD2 LEU A 36 7.705 16.485 -7.118 1.00 0.00 C ATOM 0 H LEU A 36 10.709 18.154 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 36 12.081 15.669 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.083 14.967 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.638 15.930 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 36 9.409 17.880 -7.253 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.645 17.246 -9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.357 16.840 -9.247 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.121 15.561 -9.194 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.031 17.080 -7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.535 15.426 -7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.516 16.695 -6.065 1.00 0.00 H new ATOM 576 N PHE A 37 12.771 17.663 -8.185 1.00 0.00 N ATOM 577 CA PHE A 37 13.693 17.857 -9.313 1.00 0.00 C ATOM 578 C PHE A 37 15.182 17.732 -8.904 1.00 0.00 C ATOM 579 O PHE A 37 16.075 17.973 -9.720 1.00 0.00 O ATOM 580 CB PHE A 37 13.393 19.205 -9.981 1.00 0.00 C ATOM 581 CG PHE A 37 11.944 19.380 -10.411 1.00 0.00 C ATOM 582 CD1 PHE A 37 11.042 20.105 -9.610 1.00 0.00 C ATOM 583 CD2 PHE A 37 11.493 18.789 -11.608 1.00 0.00 C ATOM 584 CE1 PHE A 37 9.696 20.237 -9.997 1.00 0.00 C ATOM 585 CE2 PHE A 37 10.145 18.922 -11.996 1.00 0.00 C ATOM 586 CZ PHE A 37 9.244 19.638 -11.187 1.00 0.00 C ATOM 0 H PHE A 37 12.484 18.541 -7.753 1.00 0.00 H new ATOM 0 HA PHE A 37 13.526 17.054 -10.031 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.654 20.006 -9.290 1.00 0.00 H new ATOM 0 HB3 PHE A 37 14.035 19.316 -10.855 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.385 20.562 -8.694 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.181 18.234 -12.228 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.010 20.798 -9.380 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.803 18.473 -12.917 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.208 19.728 -11.479 1.00 0.00 H new ATOM 596 N ASP A 38 15.459 17.379 -7.640 1.00 0.00 N ATOM 597 CA ASP A 38 16.783 17.352 -6.994 1.00 0.00 C ATOM 598 C ASP A 38 17.501 18.722 -6.942 1.00 0.00 C ATOM 599 O ASP A 38 18.720 18.780 -6.746 1.00 0.00 O ATOM 600 CB ASP A 38 17.664 16.219 -7.557 1.00 0.00 C ATOM 601 CG ASP A 38 16.999 14.833 -7.558 1.00 0.00 C ATOM 602 OD1 ASP A 38 17.256 14.048 -8.502 1.00 0.00 O ATOM 603 OD2 ASP A 38 16.287 14.482 -6.584 1.00 0.00 O1- ATOM 0 H ASP A 38 14.720 17.086 -7.001 1.00 0.00 H new ATOM 0 HA ASP A 38 16.597 17.122 -5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.949 16.472 -8.578 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.583 16.166 -6.973 1.00 0.00 H new ATOM 608 N GLU A 39 16.769 19.829 -7.111 1.00 0.00 N ATOM 609 CA GLU A 39 17.312 21.187 -6.979 1.00 0.00 C ATOM 610 C GLU A 39 17.416 21.588 -5.497 1.00 0.00 C ATOM 611 O GLU A 39 16.401 21.682 -4.799 1.00 0.00 O ATOM 612 CB GLU A 39 16.469 22.206 -7.764 1.00 0.00 C ATOM 613 CG GLU A 39 16.461 21.912 -9.271 1.00 0.00 C ATOM 614 CD GLU A 39 15.847 23.052 -10.116 1.00 0.00 C ATOM 615 OE1 GLU A 39 14.946 23.786 -9.629 1.00 0.00 O ATOM 616 OE2 GLU A 39 16.260 23.225 -11.293 1.00 0.00 O1- ATOM 0 H GLU A 39 15.776 19.808 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 39 18.315 21.189 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.446 22.196 -7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.861 23.208 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 39 17.483 21.733 -9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.902 20.994 -9.452 1.00 0.00 H new ATOM 623 N GLU A 40 18.640 21.825 -5.011 1.00 0.00 N ATOM 624 CA GLU A 40 18.890 22.314 -3.652 1.00 0.00 C ATOM 625 C GLU A 40 18.833 23.851 -3.564 1.00 0.00 C ATOM 626 O GLU A 40 19.338 24.563 -4.440 1.00 0.00 O ATOM 627 CB GLU A 40 20.218 21.752 -3.115 1.00 0.00 C ATOM 628 CG GLU A 40 20.498 22.187 -1.666 1.00 0.00 C ATOM 629 CD GLU A 40 21.744 21.521 -1.048 1.00 0.00 C ATOM 630 OE1 GLU A 40 21.964 20.297 -1.212 1.00 0.00 O ATOM 631 OE2 GLU A 40 22.499 22.204 -0.316 1.00 0.00 O1- ATOM 0 H GLU A 40 19.491 21.681 -5.555 1.00 0.00 H new ATOM 0 HA GLU A 40 18.086 21.948 -3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 40 20.196 20.663 -3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 40 21.035 22.085 -3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 40 20.625 23.269 -1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 40 19.629 21.952 -1.051 1.00 0.00 H new ATOM 638 N HIS A 41 18.261 24.354 -2.472 1.00 0.00 N ATOM 639 CA HIS A 41 18.237 25.758 -2.052 1.00 0.00 C ATOM 640 C HIS A 41 18.766 25.865 -0.615 1.00 0.00 C ATOM 641 O HIS A 41 18.613 24.923 0.167 1.00 0.00 O ATOM 642 CB HIS A 41 16.804 26.315 -2.156 1.00 0.00 C ATOM 643 CG HIS A 41 16.116 26.066 -3.483 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.137 26.926 -4.589 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.399 24.946 -3.806 1.00 0.00 C ATOM 646 CE1 HIS A 41 15.425 26.304 -5.545 1.00 0.00 C ATOM 647 NE2 HIS A 41 14.976 25.113 -5.108 1.00 0.00 N ATOM 0 H HIS A 41 17.768 23.753 -1.811 1.00 0.00 H new ATOM 0 HA HIS A 41 18.877 26.350 -2.706 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.200 25.875 -1.362 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.834 27.389 -1.975 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.203 24.098 -3.167 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.239 26.706 -6.530 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.419 24.449 -5.646 1.00 0.00 H new ATOM 655 N ALA A 42 19.384 26.987 -0.249 1.00 0.00 N ATOM 656 CA ALA A 42 19.988 27.181 1.075 1.00 0.00 C ATOM 657 C ALA A 42 19.869 28.633 1.575 1.00 0.00 C ATOM 658 O ALA A 42 20.008 29.584 0.800 1.00 0.00 O ATOM 659 CB ALA A 42 21.444 26.713 1.034 1.00 0.00 C ATOM 0 H ALA A 42 19.482 27.794 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 42 19.435 26.579 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 42 21.899 26.854 2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 42 21.479 25.657 0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 42 21.992 27.294 0.292 1.00 0.00 H new ATOM 665 N PHE A 43 19.636 28.792 2.884 1.00 0.00 N ATOM 666 CA PHE A 43 19.274 30.058 3.527 1.00 0.00 C ATOM 667 C PHE A 43 19.974 30.206 4.898 1.00 0.00 C ATOM 668 O PHE A 43 19.661 29.450 5.831 1.00 0.00 O ATOM 669 CB PHE A 43 17.742 30.133 3.657 1.00 0.00 C ATOM 670 CG PHE A 43 17.014 30.018 2.332 1.00 0.00 C ATOM 671 CD1 PHE A 43 16.892 31.145 1.496 1.00 0.00 C ATOM 672 CD2 PHE A 43 16.518 28.772 1.902 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.289 31.025 0.230 1.00 0.00 C ATOM 674 CE2 PHE A 43 15.921 28.650 0.633 1.00 0.00 C ATOM 675 CZ PHE A 43 15.816 29.775 -0.209 1.00 0.00 C ATOM 0 H PHE A 43 19.697 28.017 3.544 1.00 0.00 H new ATOM 0 HA PHE A 43 19.616 30.890 2.912 1.00 0.00 H new ATOM 0 HB2 PHE A 43 17.402 29.336 4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 43 17.472 31.077 4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 43 17.262 32.104 1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 43 16.596 27.909 2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 43 16.189 31.893 -0.405 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.543 27.693 0.304 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.373 29.678 -1.189 1.00 0.00 H new ATOM 685 N PRO A 44 20.927 31.149 5.054 1.00 0.00 N ATOM 686 CA PRO A 44 21.704 31.318 6.282 1.00 0.00 C ATOM 687 C PRO A 44 20.902 31.983 7.411 1.00 0.00 C ATOM 688 O PRO A 44 20.020 32.813 7.170 1.00 0.00 O ATOM 689 CB PRO A 44 22.926 32.145 5.884 1.00 0.00 C ATOM 690 CG PRO A 44 22.404 33.004 4.732 1.00 0.00 C ATOM 691 CD PRO A 44 21.413 32.077 4.036 1.00 0.00 C ATOM 0 HA PRO A 44 21.990 30.350 6.693 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.286 32.756 6.712 1.00 0.00 H new ATOM 0 HB3 PRO A 44 23.756 31.512 5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 44 21.922 33.913 5.092 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.207 33.313 4.062 1.00 0.00 H new ATOM 0 HD2 PRO A 44 20.589 32.645 3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 44 21.893 31.539 3.219 1.00 0.00 H new ATOM 699 N GLY A 45 21.225 31.627 8.658 1.00 0.00 N ATOM 700 CA GLY A 45 20.661 32.225 9.880 1.00 0.00 C ATOM 701 C GLY A 45 19.257 31.739 10.257 1.00 0.00 C ATOM 702 O GLY A 45 18.635 32.310 11.159 1.00 0.00 O ATOM 0 H GLY A 45 21.906 30.893 8.855 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.335 32.018 10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.632 33.307 9.755 1.00 0.00 H new ATOM 706 N LEU A 46 18.740 30.711 9.578 1.00 0.00 N ATOM 707 CA LEU A 46 17.423 30.122 9.828 1.00 0.00 C ATOM 708 C LEU A 46 17.492 28.784 10.582 1.00 0.00 C ATOM 709 O LEU A 46 18.527 28.113 10.621 1.00 0.00 O ATOM 710 CB LEU A 46 16.656 29.960 8.499 1.00 0.00 C ATOM 711 CG LEU A 46 16.435 31.252 7.685 1.00 0.00 C ATOM 712 CD1 LEU A 46 15.517 30.942 6.507 1.00 0.00 C ATOM 713 CD2 LEU A 46 15.788 32.377 8.488 1.00 0.00 C ATOM 0 H LEU A 46 19.242 30.253 8.817 1.00 0.00 H new ATOM 0 HA LEU A 46 16.885 30.811 10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.197 29.249 7.875 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.683 29.519 8.715 1.00 0.00 H new ATOM 0 HG LEU A 46 17.422 31.591 7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.354 31.849 5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.979 30.183 5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.561 30.572 6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.664 33.253 7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.813 32.051 8.851 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.424 32.632 9.336 1.00 0.00 H new ATOM 725 N ALA A 47 16.340 28.385 11.120 1.00 0.00 N ATOM 726 CA ALA A 47 16.024 27.062 11.650 1.00 0.00 C ATOM 727 C ALA A 47 14.586 26.667 11.248 1.00 0.00 C ATOM 728 O ALA A 47 13.767 27.521 10.885 1.00 0.00 O ATOM 729 CB ALA A 47 16.225 27.068 13.172 1.00 0.00 C ATOM 0 H ALA A 47 15.549 29.023 11.202 1.00 0.00 H new ATOM 0 HA ALA A 47 16.693 26.312 11.228 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.990 26.082 13.574 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.261 27.316 13.401 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.566 27.810 13.623 1.00 0.00 H new ATOM 735 N ILE A 48 14.264 25.373 11.311 1.00 0.00 N ATOM 736 CA ILE A 48 12.912 24.862 11.037 1.00 0.00 C ATOM 737 C ILE A 48 11.999 25.204 12.224 1.00 0.00 C ATOM 738 O ILE A 48 12.247 24.764 13.354 1.00 0.00 O ATOM 739 CB ILE A 48 12.947 23.351 10.716 1.00 0.00 C ATOM 740 CG1 ILE A 48 13.841 23.043 9.484 1.00 0.00 C ATOM 741 CG2 ILE A 48 11.527 22.812 10.475 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.285 21.576 9.433 1.00 0.00 C ATOM 0 H ILE A 48 14.934 24.644 11.554 1.00 0.00 H new ATOM 0 HA ILE A 48 12.502 25.344 10.150 1.00 0.00 H new ATOM 0 HB ILE A 48 13.379 22.850 11.582 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.294 23.286 8.573 1.00 0.00 H new ATOM 0 HG13 ILE A 48 14.721 23.685 9.508 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.575 21.746 10.251 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.922 22.968 11.368 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.075 23.339 9.635 1.00 0.00 H new ATOM 0 HD11 ILE A 48 14.907 21.415 8.553 1.00 0.00 H new ATOM 0 HD12 ILE A 48 14.856 21.337 10.330 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.407 20.932 9.380 1.00 0.00 H new ATOM 754 N GLY A 49 10.965 26.024 11.992 1.00 0.00 N ATOM 755 CA GLY A 49 10.052 26.531 13.028 1.00 0.00 C ATOM 756 C GLY A 49 8.788 25.689 13.208 1.00 0.00 C ATOM 757 O GLY A 49 8.374 25.417 14.339 1.00 0.00 O ATOM 0 H GLY A 49 10.734 26.362 11.058 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.585 26.575 13.978 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.764 27.552 12.776 1.00 0.00 H new ATOM 761 N ARG A 50 8.184 25.242 12.102 1.00 0.00 N ATOM 762 CA ARG A 50 6.993 24.371 12.091 1.00 0.00 C ATOM 763 C ARG A 50 6.971 23.466 10.858 1.00 0.00 C ATOM 764 O ARG A 50 7.366 23.879 9.765 1.00 0.00 O ATOM 765 CB ARG A 50 5.720 25.237 12.198 1.00 0.00 C ATOM 766 CG ARG A 50 4.414 24.421 12.218 1.00 0.00 C ATOM 767 CD ARG A 50 3.198 25.307 12.509 1.00 0.00 C ATOM 768 NE ARG A 50 1.950 24.524 12.434 1.00 0.00 N ATOM 769 CZ ARG A 50 1.148 24.391 11.393 1.00 0.00 C ATOM 770 NH1 ARG A 50 1.301 25.033 10.268 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 0.154 23.562 11.477 1.00 0.00 N ATOM 0 H ARG A 50 8.513 25.478 11.166 1.00 0.00 H new ATOM 0 HA ARG A 50 7.031 23.708 12.955 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.776 25.838 13.105 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.692 25.930 11.357 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.281 23.924 11.257 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.484 23.639 12.974 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.295 25.751 13.500 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.161 26.128 11.793 1.00 0.00 H new ATOM 0 HE ARG A 50 1.675 24.029 13.282 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.078 25.684 10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.644 24.884 9.502 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.005 23.030 12.334 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.479 23.443 10.686 1.00 0.00 H new ATOM 785 N VAL A 51 6.477 22.243 11.044 1.00 0.00 N ATOM 786 CA VAL A 51 6.241 21.237 9.997 1.00 0.00 C ATOM 787 C VAL A 51 4.806 20.739 10.120 1.00 0.00 C ATOM 788 O VAL A 51 4.425 20.228 11.169 1.00 0.00 O ATOM 789 CB VAL A 51 7.232 20.062 10.138 1.00 0.00 C ATOM 790 CG1 VAL A 51 7.062 19.032 9.015 1.00 0.00 C ATOM 791 CG2 VAL A 51 8.696 20.515 10.150 1.00 0.00 C ATOM 0 H VAL A 51 6.217 21.906 11.971 1.00 0.00 H new ATOM 0 HA VAL A 51 6.396 21.686 9.016 1.00 0.00 H new ATOM 0 HB VAL A 51 6.993 19.608 11.100 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.779 18.222 9.152 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.050 18.629 9.041 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.237 19.512 8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.345 19.645 10.251 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.925 21.032 9.218 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.861 21.191 10.989 1.00 0.00 H new ATOM 801 N ASP A 52 4.007 20.881 9.067 1.00 0.00 N ATOM 802 CA ASP A 52 2.598 20.473 9.010 1.00 0.00 C ATOM 803 C ASP A 52 2.419 19.396 7.935 1.00 0.00 C ATOM 804 O ASP A 52 2.436 19.670 6.731 1.00 0.00 O ATOM 805 CB ASP A 52 1.727 21.720 8.784 1.00 0.00 C ATOM 806 CG ASP A 52 0.216 21.454 8.839 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.547 22.434 9.011 1.00 0.00 O ATOM 808 OD2 ASP A 52 -0.224 20.294 8.700 1.00 0.00 O1- ATOM 0 H ASP A 52 4.331 21.299 8.195 1.00 0.00 H new ATOM 0 HA ASP A 52 2.277 20.025 9.950 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.980 22.467 9.537 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.973 22.150 7.813 1.00 0.00 H new ATOM 813 N LEU A 53 2.284 18.149 8.389 1.00 0.00 N ATOM 814 CA LEU A 53 2.195 16.951 7.563 1.00 0.00 C ATOM 815 C LEU A 53 0.784 16.736 6.991 1.00 0.00 C ATOM 816 O LEU A 53 0.621 16.048 5.980 1.00 0.00 O ATOM 817 CB LEU A 53 2.574 15.725 8.415 1.00 0.00 C ATOM 818 CG LEU A 53 3.999 15.625 8.983 1.00 0.00 C ATOM 819 CD1 LEU A 53 5.066 15.880 7.924 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.263 16.486 10.218 1.00 0.00 C ATOM 0 H LEU A 53 2.232 17.941 9.386 1.00 0.00 H new ATOM 0 HA LEU A 53 2.880 17.079 6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.881 15.681 9.255 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.398 14.836 7.809 1.00 0.00 H new ATOM 0 HG LEU A 53 4.070 14.590 9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.054 15.798 8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.970 15.144 7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.938 16.881 7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.294 16.348 10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.098 17.535 9.972 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.586 16.190 11.019 1.00 0.00 H new ATOM 832 N ARG A 54 -0.239 17.309 7.631 1.00 0.00 N ATOM 833 CA ARG A 54 -1.630 17.286 7.158 1.00 0.00 C ATOM 834 C ARG A 54 -1.792 18.257 5.982 1.00 0.00 C ATOM 835 O ARG A 54 -2.211 17.851 4.898 1.00 0.00 O ATOM 836 CB ARG A 54 -2.565 17.599 8.344 1.00 0.00 C ATOM 837 CG ARG A 54 -4.002 17.052 8.212 1.00 0.00 C ATOM 838 CD ARG A 54 -4.776 17.503 6.964 1.00 0.00 C ATOM 839 NE ARG A 54 -4.754 18.969 6.788 1.00 0.00 N ATOM 840 CZ ARG A 54 -5.192 19.634 5.734 1.00 0.00 C ATOM 841 NH1 ARG A 54 -5.783 19.042 4.733 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -5.038 20.926 5.653 1.00 0.00 N ATOM 0 H ARG A 54 -0.123 17.813 8.510 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.902 16.299 6.783 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.121 17.192 9.253 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.616 18.680 8.470 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.958 15.963 8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.567 17.351 9.095 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.347 17.027 6.082 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.809 17.164 7.038 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.364 19.520 7.552 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.920 18.031 4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.108 19.590 3.936 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.576 21.433 6.408 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.380 21.430 4.835 1.00 0.00 H new ATOM 856 N SER A 55 -1.407 19.523 6.170 1.00 0.00 N ATOM 857 CA SER A 55 -1.534 20.578 5.151 1.00 0.00 C ATOM 858 C SER A 55 -0.413 20.569 4.101 1.00 0.00 C ATOM 859 O SER A 55 -0.576 21.156 3.032 1.00 0.00 O ATOM 860 CB SER A 55 -1.596 21.962 5.816 1.00 0.00 C ATOM 861 OG SER A 55 -2.598 22.004 6.825 1.00 0.00 O ATOM 0 H SER A 55 -0.993 19.851 7.043 1.00 0.00 H new ATOM 0 HA SER A 55 -2.463 20.365 4.622 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.627 22.202 6.252 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.803 22.722 5.062 1.00 0.00 H new ATOM 0 HG SER A 55 -2.178 22.158 7.697 1.00 0.00 H new ATOM 867 N GLY A 56 0.720 19.909 4.371 1.00 0.00 N ATOM 868 CA GLY A 56 1.885 19.848 3.478 1.00 0.00 C ATOM 869 C GLY A 56 2.679 21.160 3.437 1.00 0.00 C ATOM 870 O GLY A 56 3.005 21.649 2.356 1.00 0.00 O ATOM 0 H GLY A 56 0.856 19.389 5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.543 19.042 3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.551 19.600 2.470 1.00 0.00 H new ATOM 874 N VAL A 57 2.959 21.762 4.598 1.00 0.00 N ATOM 875 CA VAL A 57 3.606 23.085 4.734 1.00 0.00 C ATOM 876 C VAL A 57 4.754 23.040 5.740 1.00 0.00 C ATOM 877 O VAL A 57 4.643 22.418 6.794 1.00 0.00 O ATOM 878 CB VAL A 57 2.586 24.185 5.112 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.240 25.576 5.175 1.00 0.00 C ATOM 880 CG2 VAL A 57 1.431 24.273 4.105 1.00 0.00 C ATOM 0 H VAL A 57 2.738 21.336 5.498 1.00 0.00 H new ATOM 0 HA VAL A 57 4.021 23.341 3.759 1.00 0.00 H new ATOM 0 HB VAL A 57 2.207 23.899 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.489 26.319 5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.031 25.572 5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.663 25.823 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.740 25.059 4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.827 24.504 3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.904 23.319 4.071 1.00 0.00 H new ATOM 890 N ILE A 58 5.859 23.723 5.439 1.00 0.00 N ATOM 891 CA ILE A 58 7.035 23.894 6.310 1.00 0.00 C ATOM 892 C ILE A 58 7.340 25.393 6.440 1.00 0.00 C ATOM 893 O ILE A 58 7.480 26.097 5.437 1.00 0.00 O ATOM 894 CB ILE A 58 8.245 23.103 5.757 1.00 0.00 C ATOM 895 CG1 ILE A 58 7.960 21.582 5.723 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.522 23.389 6.579 1.00 0.00 C ATOM 897 CD1 ILE A 58 8.957 20.778 4.881 1.00 0.00 C ATOM 0 H ILE A 58 5.969 24.196 4.542 1.00 0.00 H new ATOM 0 HA ILE A 58 6.826 23.493 7.302 1.00 0.00 H new ATOM 0 HB ILE A 58 8.410 23.441 4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.970 21.198 6.743 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.956 21.420 5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.355 22.819 6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.753 24.453 6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.360 23.096 7.616 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.688 19.722 4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.932 21.132 3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.961 20.907 5.284 1.00 0.00 H new ATOM 909 N SER A 59 7.469 25.876 7.674 1.00 0.00 N ATOM 910 CA SER A 59 7.731 27.285 7.995 1.00 0.00 C ATOM 911 C SER A 59 9.081 27.437 8.696 1.00 0.00 C ATOM 912 O SER A 59 9.326 26.802 9.729 1.00 0.00 O ATOM 913 CB SER A 59 6.616 27.867 8.873 1.00 0.00 C ATOM 914 OG SER A 59 5.350 27.745 8.237 1.00 0.00 O ATOM 0 H SER A 59 7.393 25.286 8.503 1.00 0.00 H new ATOM 0 HA SER A 59 7.757 27.840 7.057 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.596 27.350 9.832 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.823 28.917 9.081 1.00 0.00 H new ATOM 0 HG SER A 59 4.655 28.121 8.817 1.00 0.00 H new ATOM 920 N LEU A 60 9.961 28.280 8.151 1.00 0.00 N ATOM 921 CA LEU A 60 11.277 28.574 8.725 1.00 0.00 C ATOM 922 C LEU A 60 11.267 29.880 9.540 1.00 0.00 C ATOM 923 O LEU A 60 10.518 30.814 9.238 1.00 0.00 O ATOM 924 CB LEU A 60 12.356 28.596 7.625 1.00 0.00 C ATOM 925 CG LEU A 60 12.378 27.378 6.681 1.00 0.00 C ATOM 926 CD1 LEU A 60 13.568 27.510 5.732 1.00 0.00 C ATOM 927 CD2 LEU A 60 12.512 26.052 7.430 1.00 0.00 C ATOM 0 H LEU A 60 9.777 28.786 7.285 1.00 0.00 H new ATOM 0 HA LEU A 60 11.524 27.773 9.422 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.217 29.495 7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.332 28.680 8.102 1.00 0.00 H new ATOM 0 HG LEU A 60 11.429 27.368 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.593 26.653 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.469 28.426 5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.492 27.545 6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.522 25.230 6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.441 26.048 8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.669 25.931 8.110 1.00 0.00 H new ATOM 939 N ILE A 61 12.129 29.946 10.559 1.00 0.00 N ATOM 940 CA ILE A 61 12.265 31.066 11.513 1.00 0.00 C ATOM 941 C ILE A 61 13.741 31.431 11.735 1.00 0.00 C ATOM 942 O ILE A 61 14.638 30.643 11.443 1.00 0.00 O ATOM 943 CB ILE A 61 11.556 30.762 12.859 1.00 0.00 C ATOM 944 CG1 ILE A 61 12.151 29.547 13.619 1.00 0.00 C ATOM 945 CG2 ILE A 61 10.044 30.571 12.639 1.00 0.00 C ATOM 946 CD1 ILE A 61 13.158 29.916 14.710 1.00 0.00 C ATOM 0 H ILE A 61 12.784 29.189 10.756 1.00 0.00 H new ATOM 0 HA ILE A 61 11.769 31.930 11.071 1.00 0.00 H new ATOM 0 HB ILE A 61 11.729 31.630 13.495 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.336 28.981 14.070 1.00 0.00 H new ATOM 0 HG13 ILE A 61 12.637 28.887 12.901 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.562 30.358 13.593 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.621 31.481 12.213 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.878 29.739 11.955 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.524 29.008 15.190 1.00 0.00 H new ATOM 0 HD12 ILE A 61 13.995 30.454 14.265 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.674 30.549 15.453 1.00 0.00 H new ATOM 958 N GLU A 62 14.004 32.630 12.255 1.00 0.00 N ATOM 959 CA GLU A 62 15.368 33.115 12.543 1.00 0.00 C ATOM 960 C GLU A 62 15.962 32.401 13.774 1.00 0.00 C ATOM 961 O GLU A 62 15.435 32.501 14.886 1.00 0.00 O ATOM 962 CB GLU A 62 15.374 34.638 12.749 1.00 0.00 C ATOM 963 CG GLU A 62 15.006 35.408 11.470 1.00 0.00 C ATOM 964 CD GLU A 62 14.970 36.934 11.706 1.00 0.00 C ATOM 965 OE1 GLU A 62 14.021 37.597 11.224 1.00 0.00 O ATOM 966 OE2 GLU A 62 15.883 37.484 12.370 1.00 0.00 O1- ATOM 0 H GLU A 62 13.275 33.303 12.493 1.00 0.00 H new ATOM 0 HA GLU A 62 15.993 32.882 11.681 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.670 34.897 13.540 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.362 34.952 13.086 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.729 35.179 10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.032 35.073 11.112 1.00 0.00 H new ATOM 973 N GLU A 63 17.070 31.686 13.580 1.00 0.00 N ATOM 974 CA GLU A 63 17.675 30.814 14.597 1.00 0.00 C ATOM 975 C GLU A 63 18.185 31.588 15.825 1.00 0.00 C ATOM 976 O GLU A 63 18.975 32.528 15.690 1.00 0.00 O ATOM 977 CB GLU A 63 18.813 30.013 13.942 1.00 0.00 C ATOM 978 CG GLU A 63 19.460 28.993 14.883 1.00 0.00 C ATOM 979 CD GLU A 63 20.540 28.157 14.169 1.00 0.00 C ATOM 980 OE1 GLU A 63 21.424 28.740 13.495 1.00 0.00 O ATOM 981 OE2 GLU A 63 20.527 26.911 14.303 1.00 0.00 O1- ATOM 0 H GLU A 63 17.584 31.694 12.699 1.00 0.00 H new ATOM 0 HA GLU A 63 16.903 30.141 14.971 1.00 0.00 H new ATOM 0 HB2 GLU A 63 18.424 29.493 13.067 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.577 30.705 13.588 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.905 29.513 15.731 1.00 0.00 H new ATOM 0 HG3 GLU A 63 18.693 28.330 15.283 1.00 0.00 H new ATOM 988 N GLN A 64 17.779 31.179 17.031 1.00 0.00 N ATOM 989 CA GLN A 64 18.148 31.837 18.297 1.00 0.00 C ATOM 990 C GLN A 64 19.478 31.333 18.900 1.00 0.00 C ATOM 991 O GLN A 64 19.860 31.733 19.997 1.00 0.00 O ATOM 992 CB GLN A 64 16.977 31.700 19.290 1.00 0.00 C ATOM 993 CG GLN A 64 15.653 32.294 18.776 1.00 0.00 C ATOM 994 CD GLN A 64 15.753 33.786 18.461 1.00 0.00 C ATOM 995 OE1 GLN A 64 15.984 34.621 19.329 1.00 0.00 O ATOM 996 NE2 GLN A 64 15.582 34.191 17.218 1.00 0.00 N ATOM 0 H GLN A 64 17.174 30.368 17.162 1.00 0.00 H new ATOM 0 HA GLN A 64 18.330 32.890 18.083 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.827 30.644 19.517 1.00 0.00 H new ATOM 0 HB3 GLN A 64 17.246 32.192 20.225 1.00 0.00 H new ATOM 0 HG2 GLN A 64 15.345 31.758 17.878 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.876 32.137 19.524 1.00 0.00 H new ATOM 0 HE21 GLN A 64 15.389 33.511 16.482 1.00 0.00 H new ATOM 0 HE22 GLN A 64 15.643 35.184 16.992 1.00 0.00 H new ATOM 1005 N ASN A 65 20.170 30.417 18.218 1.00 0.00 N ATOM 1006 CA ASN A 65 21.422 29.774 18.646 1.00 0.00 C ATOM 1007 C ASN A 65 22.676 30.680 18.516 1.00 0.00 C ATOM 1008 O ASN A 65 23.730 30.360 19.074 1.00 0.00 O ATOM 1009 CB ASN A 65 21.568 28.479 17.822 1.00 0.00 C ATOM 1010 CG ASN A 65 22.566 27.491 18.408 1.00 0.00 C ATOM 1011 OD1 ASN A 65 23.695 27.362 17.953 1.00 0.00 O ATOM 1012 ND2 ASN A 65 22.172 26.758 19.422 1.00 0.00 N ATOM 0 H ASN A 65 19.859 30.084 17.305 1.00 0.00 H new ATOM 0 HA ASN A 65 21.362 29.562 19.713 1.00 0.00 H new ATOM 0 HB2 ASN A 65 20.594 27.996 17.745 1.00 0.00 H new ATOM 0 HB3 ASN A 65 21.877 28.736 16.809 1.00 0.00 H new ATOM 0 HD21 ASN A 65 22.808 26.076 19.836 1.00 0.00 H new ATOM 0 HD22 ASN A 65 21.230 26.870 19.797 1.00 0.00 H new ATOM 1019 N ARG A 66 22.570 31.793 17.772 1.00 0.00 N ATOM 1020 CA ARG A 66 23.654 32.754 17.472 1.00 0.00 C ATOM 1021 C ARG A 66 24.255 33.436 18.718 1.00 0.00 C ATOM 1022 O ARG A 66 25.481 33.675 18.710 1.00 0.00 O ATOM 1023 CB ARG A 66 23.167 33.768 16.416 1.00 0.00 C ATOM 1024 CG ARG A 66 22.167 34.808 16.953 1.00 0.00 C ATOM 1025 CD ARG A 66 21.537 35.633 15.826 1.00 0.00 C ATOM 1026 NE ARG A 66 20.561 34.839 15.061 1.00 0.00 N ATOM 1027 CZ ARG A 66 20.227 34.936 13.793 1.00 0.00 C ATOM 1028 NH1 ARG A 66 20.716 35.832 12.986 1.00 0.00 N1+ ATOM 1029 NH2 ARG A 66 19.367 34.087 13.325 1.00 0.00 N ATOM 1030 OXT ARG A 66 23.515 33.733 19.687 1.00 0.00 O1- ATOM 0 H ARG A 66 21.686 32.064 17.341 1.00 0.00 H new ATOM 0 HA ARG A 66 24.487 32.185 17.059 1.00 0.00 H new ATOM 0 HB2 ARG A 66 24.031 34.290 16.005 1.00 0.00 H new ATOM 0 HB3 ARG A 66 22.702 33.224 15.594 1.00 0.00 H new ATOM 0 HG2 ARG A 66 21.382 34.300 17.513 1.00 0.00 H new ATOM 0 HG3 ARG A 66 22.676 35.474 17.649 1.00 0.00 H new ATOM 0 HD2 ARG A 66 21.045 36.510 16.246 1.00 0.00 H new ATOM 0 HD3 ARG A 66 22.318 35.995 15.157 1.00 0.00 H new ATOM 0 HE ARG A 66 20.077 34.113 15.588 1.00 0.00 H new ATOM 0 HH11 ARG A 66 21.398 36.509 13.328 1.00 0.00 H new ATOM 0 HH12 ARG A 66 20.418 35.857 12.011 1.00 0.00 H new ATOM 0 HH21 ARG A 66 18.972 33.372 13.936 1.00 0.00 H new ATOM 0 HH22 ARG A 66 19.085 34.134 12.346 1.00 0.00 H new TER 1044 ARG A 66 ATOM 1045 N GLY B -3 -11.412 11.828 0.775 1.00 0.00 N ATOM 1046 CA GLY B -3 -10.899 10.485 1.136 1.00 0.00 C ATOM 1047 C GLY B -3 -9.391 10.491 1.367 1.00 0.00 C ATOM 1048 O GLY B -3 -8.838 11.530 1.736 1.00 0.00 O ATOM 0 H1 GLY B -3 -12.345 11.972 1.211 1.00 0.00 H new ATOM 0 H2 GLY B -3 -10.753 12.555 1.119 1.00 0.00 H new ATOM 0 H3 GLY B -3 -11.498 11.900 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY B -3 -11.402 10.135 2.037 1.00 0.00 H new ATOM 0 HA3 GLY B -3 -11.141 9.779 0.342 1.00 0.00 H new ATOM 1054 N PRO B -2 -8.703 9.348 1.156 1.00 0.00 N ATOM 1055 CA PRO B -2 -7.252 9.211 1.333 1.00 0.00 C ATOM 1056 C PRO B -2 -6.411 10.136 0.430 1.00 0.00 C ATOM 1057 O PRO B -2 -6.885 10.644 -0.591 1.00 0.00 O ATOM 1058 CB PRO B -2 -6.935 7.735 1.068 1.00 0.00 C ATOM 1059 CG PRO B -2 -8.256 7.029 1.366 1.00 0.00 C ATOM 1060 CD PRO B -2 -9.291 8.040 0.884 1.00 0.00 C ATOM 0 HA PRO B -2 -6.981 9.521 2.342 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -6.615 7.571 0.039 1.00 0.00 H new ATOM 0 HB3 PRO B -2 -6.133 7.375 1.712 1.00 0.00 H new ATOM 0 HG2 PRO B -2 -8.338 6.081 0.834 1.00 0.00 H new ATOM 0 HG3 PRO B -2 -8.368 6.810 2.428 1.00 0.00 H new ATOM 0 HD2 PRO B -2 -9.499 7.915 -0.179 1.00 0.00 H new ATOM 0 HD3 PRO B -2 -10.237 7.916 1.411 1.00 0.00 H new ATOM 1068 N GLY B -1 -5.140 10.337 0.798 1.00 0.00 N ATOM 1069 CA GLY B -1 -4.190 11.209 0.092 1.00 0.00 C ATOM 1070 C GLY B -1 -4.290 12.706 0.432 1.00 0.00 C ATOM 1071 O GLY B -1 -3.513 13.512 -0.082 1.00 0.00 O ATOM 0 H GLY B -1 -4.732 9.886 1.617 1.00 0.00 H new ATOM 0 HA2 GLY B -1 -3.178 10.870 0.314 1.00 0.00 H new ATOM 0 HA3 GLY B -1 -4.339 11.087 -0.981 1.00 0.00 H new ATOM 1075 N SER B 0 -5.214 13.084 1.324 1.00 0.00 N ATOM 1076 CA SER B 0 -5.399 14.450 1.850 1.00 0.00 C ATOM 1077 C SER B 0 -4.368 14.865 2.919 1.00 0.00 C ATOM 1078 O SER B 0 -4.428 15.989 3.428 1.00 0.00 O ATOM 1079 CB SER B 0 -6.815 14.562 2.427 1.00 0.00 C ATOM 1080 OG SER B 0 -6.979 13.684 3.538 1.00 0.00 O ATOM 0 H SER B 0 -5.883 12.422 1.718 1.00 0.00 H new ATOM 0 HA SER B 0 -5.247 15.134 1.015 1.00 0.00 H new ATOM 0 HB2 SER B 0 -7.006 15.589 2.738 1.00 0.00 H new ATOM 0 HB3 SER B 0 -7.547 14.321 1.656 1.00 0.00 H new ATOM 0 HG SER B 0 -7.888 13.772 3.893 1.00 0.00 H new ATOM 1086 N MET B 1 -3.442 13.964 3.278 1.00 0.00 N ATOM 1087 CA MET B 1 -2.461 14.101 4.365 1.00 0.00 C ATOM 1088 C MET B 1 -1.262 13.149 4.180 1.00 0.00 C ATOM 1089 O MET B 1 -1.378 12.125 3.502 1.00 0.00 O ATOM 1090 CB MET B 1 -3.155 13.856 5.719 1.00 0.00 C ATOM 1091 CG MET B 1 -3.860 12.495 5.823 1.00 0.00 C ATOM 1092 SD MET B 1 -4.697 12.189 7.397 1.00 0.00 S ATOM 1093 CE MET B 1 -3.250 11.985 8.459 1.00 0.00 C ATOM 0 H MET B 1 -3.352 13.072 2.792 1.00 0.00 H new ATOM 0 HA MET B 1 -2.064 15.116 4.342 1.00 0.00 H new ATOM 0 HB2 MET B 1 -2.414 13.931 6.514 1.00 0.00 H new ATOM 0 HB3 MET B 1 -3.886 14.646 5.889 1.00 0.00 H new ATOM 0 HG2 MET B 1 -4.591 12.419 5.018 1.00 0.00 H new ATOM 0 HG3 MET B 1 -3.124 11.708 5.660 1.00 0.00 H new ATOM 0 HE1 MET B 1 -3.566 11.631 9.440 1.00 0.00 H new ATOM 0 HE2 MET B 1 -2.570 11.259 8.013 1.00 0.00 H new ATOM 0 HE3 MET B 1 -2.739 12.942 8.566 1.00 0.00 H new ATOM 1103 N CYS B 2 -0.132 13.473 4.813 1.00 0.00 N ATOM 1104 CA CYS B 2 1.153 12.773 4.722 1.00 0.00 C ATOM 1105 C CYS B 2 1.816 12.612 6.113 1.00 0.00 C ATOM 1106 O CYS B 2 3.000 12.911 6.286 1.00 0.00 O ATOM 1107 CB CYS B 2 2.042 13.525 3.718 1.00 0.00 C ATOM 1108 SG CYS B 2 1.708 13.150 1.976 1.00 0.00 S ATOM 0 H CYS B 2 -0.086 14.277 5.439 1.00 0.00 H new ATOM 0 HA CYS B 2 1.000 11.756 4.360 1.00 0.00 H new ATOM 0 HB2 CYS B 2 1.917 14.596 3.875 1.00 0.00 H new ATOM 0 HB3 CYS B 2 3.085 13.291 3.932 1.00 0.00 H new ATOM 1113 N MET B 3 1.039 12.175 7.120 1.00 0.00 N ATOM 1114 CA MET B 3 1.474 12.100 8.527 1.00 0.00 C ATOM 1115 C MET B 3 2.780 11.310 8.737 1.00 0.00 C ATOM 1116 O MET B 3 3.021 10.291 8.082 1.00 0.00 O ATOM 1117 CB MET B 3 0.344 11.580 9.426 1.00 0.00 C ATOM 1118 CG MET B 3 -0.033 10.116 9.198 1.00 0.00 C ATOM 1119 SD MET B 3 -1.366 9.558 10.293 1.00 0.00 S ATOM 1120 CE MET B 3 -1.448 7.818 9.808 1.00 0.00 C ATOM 0 H MET B 3 0.079 11.860 6.978 1.00 0.00 H new ATOM 0 HA MET B 3 1.708 13.122 8.823 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.640 11.707 10.467 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.540 12.197 9.268 1.00 0.00 H new ATOM 0 HG2 MET B 3 -0.340 9.981 8.161 1.00 0.00 H new ATOM 0 HG3 MET B 3 0.846 9.490 9.354 1.00 0.00 H new ATOM 0 HE1 MET B 3 -2.223 7.315 10.387 1.00 0.00 H new ATOM 0 HE2 MET B 3 -1.684 7.747 8.746 1.00 0.00 H new ATOM 0 HE3 MET B 3 -0.486 7.342 9.998 1.00 0.00 H new ATOM 1130 N ALA B 4 3.622 11.796 9.649 1.00 0.00 N ATOM 1131 CA ALA B 4 4.999 11.340 9.844 1.00 0.00 C ATOM 1132 C ALA B 4 5.198 10.569 11.165 1.00 0.00 C ATOM 1133 O ALA B 4 4.279 10.409 11.971 1.00 0.00 O ATOM 1134 CB ALA B 4 5.917 12.577 9.755 1.00 0.00 C ATOM 0 H ALA B 4 3.357 12.541 10.293 1.00 0.00 H new ATOM 0 HA ALA B 4 5.253 10.622 9.065 1.00 0.00 H new ATOM 0 HB1 ALA B 4 6.954 12.272 9.896 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.806 13.043 8.776 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.640 13.292 10.530 1.00 0.00 H new ATOM 1140 N LYS B 5 6.441 10.140 11.404 1.00 0.00 N ATOM 1141 CA LYS B 5 6.970 9.778 12.729 1.00 0.00 C ATOM 1142 C LYS B 5 8.095 10.725 13.153 1.00 0.00 C ATOM 1143 O LYS B 5 8.909 11.147 12.329 1.00 0.00 O ATOM 1144 CB LYS B 5 7.378 8.294 12.785 1.00 0.00 C ATOM 1145 CG LYS B 5 8.472 7.909 11.778 1.00 0.00 C ATOM 1146 CD LYS B 5 8.879 6.431 11.872 1.00 0.00 C ATOM 1147 CE LYS B 5 9.688 6.143 13.143 1.00 0.00 C ATOM 1148 NZ LYS B 5 10.090 4.715 13.221 1.00 0.00 N1+ ATOM 0 H LYS B 5 7.130 10.031 10.660 1.00 0.00 H new ATOM 0 HA LYS B 5 6.171 9.901 13.461 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.726 8.061 13.791 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.497 7.678 12.602 1.00 0.00 H new ATOM 0 HG2 LYS B 5 8.120 8.120 10.768 1.00 0.00 H new ATOM 0 HG3 LYS B 5 9.349 8.533 11.946 1.00 0.00 H new ATOM 0 HD2 LYS B 5 7.986 5.807 11.860 1.00 0.00 H new ATOM 0 HD3 LYS B 5 9.469 6.160 10.996 1.00 0.00 H new ATOM 0 HE2 LYS B 5 10.577 6.774 13.160 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.095 6.404 14.020 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.635 4.555 14.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.240 4.115 13.229 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 10.676 4.474 12.397 1.00 0.00 H new ATOM 1162 N VAL B 6 8.144 11.045 14.445 1.00 0.00 N ATOM 1163 CA VAL B 6 9.235 11.796 15.102 1.00 0.00 C ATOM 1164 C VAL B 6 10.154 10.832 15.853 1.00 0.00 C ATOM 1165 O VAL B 6 9.673 9.856 16.431 1.00 0.00 O ATOM 1166 CB VAL B 6 8.664 12.883 16.038 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.725 13.562 16.917 1.00 0.00 C ATOM 1168 CG2 VAL B 6 8.008 13.998 15.211 1.00 0.00 C ATOM 0 H VAL B 6 7.402 10.783 15.095 1.00 0.00 H new ATOM 0 HA VAL B 6 9.826 12.303 14.340 1.00 0.00 H new ATOM 0 HB VAL B 6 7.954 12.362 16.680 1.00 0.00 H new ATOM 0 HG11 VAL B 6 9.249 14.313 17.547 1.00 0.00 H new ATOM 0 HG12 VAL B 6 10.209 12.815 17.546 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.471 14.040 16.283 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.608 14.760 15.880 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.751 14.447 14.552 1.00 0.00 H new ATOM 0 HG23 VAL B 6 7.199 13.579 14.613 1.00 0.00 H new ATOM 1178 N VAL B 7 11.459 11.117 15.891 1.00 0.00 N ATOM 1179 CA VAL B 7 12.458 10.425 16.723 1.00 0.00 C ATOM 1180 C VAL B 7 13.395 11.421 17.421 1.00 0.00 C ATOM 1181 O VAL B 7 13.761 12.455 16.855 1.00 0.00 O ATOM 1182 CB VAL B 7 13.211 9.345 15.920 1.00 0.00 C ATOM 1183 CG1 VAL B 7 14.044 9.905 14.754 1.00 0.00 C ATOM 1184 CG2 VAL B 7 14.148 8.507 16.798 1.00 0.00 C ATOM 0 H VAL B 7 11.867 11.861 15.325 1.00 0.00 H new ATOM 0 HA VAL B 7 11.929 9.898 17.517 1.00 0.00 H new ATOM 0 HB VAL B 7 12.412 8.722 15.517 1.00 0.00 H new ATOM 0 HG11 VAL B 7 14.544 9.086 14.237 1.00 0.00 H new ATOM 0 HG12 VAL B 7 13.389 10.428 14.057 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.790 10.599 15.140 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.653 7.762 16.183 1.00 0.00 H new ATOM 0 HG22 VAL B 7 14.889 9.157 17.263 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.569 8.005 17.573 1.00 0.00 H new ATOM 1194 N LEU B 8 13.775 11.110 18.663 1.00 0.00 N ATOM 1195 CA LEU B 8 14.672 11.907 19.509 1.00 0.00 C ATOM 1196 C LEU B 8 15.478 11.027 20.478 1.00 0.00 C ATOM 1197 O LEU B 8 15.029 9.948 20.870 1.00 0.00 O ATOM 1198 CB LEU B 8 13.859 13.000 20.242 1.00 0.00 C ATOM 1199 CG LEU B 8 12.843 12.477 21.280 1.00 0.00 C ATOM 1200 CD1 LEU B 8 13.408 12.461 22.703 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.590 13.358 21.286 1.00 0.00 C ATOM 0 H LEU B 8 13.453 10.261 19.127 1.00 0.00 H new ATOM 0 HA LEU B 8 15.409 12.399 18.874 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.554 13.672 20.745 1.00 0.00 H new ATOM 0 HB3 LEU B 8 13.324 13.592 19.499 1.00 0.00 H new ATOM 0 HG LEU B 8 12.606 11.455 20.985 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.651 12.084 23.391 1.00 0.00 H new ATOM 0 HD12 LEU B 8 14.285 11.814 22.739 1.00 0.00 H new ATOM 0 HD13 LEU B 8 13.691 13.473 22.993 1.00 0.00 H new ATOM 0 HD21 LEU B 8 10.882 12.978 22.022 1.00 0.00 H new ATOM 0 HD22 LEU B 8 11.866 14.381 21.542 1.00 0.00 H new ATOM 0 HD23 LEU B 8 11.130 13.343 20.298 1.00 0.00 H new ATOM 1213 N THR B 9 16.650 11.514 20.902 1.00 0.00 N ATOM 1214 CA THR B 9 17.577 10.818 21.819 1.00 0.00 C ATOM 1215 C THR B 9 17.719 11.582 23.143 1.00 0.00 C ATOM 1216 O THR B 9 17.881 12.808 23.145 1.00 0.00 O ATOM 1217 CB THR B 9 18.952 10.609 21.156 1.00 0.00 C ATOM 1218 OG1 THR B 9 18.812 9.892 19.944 1.00 0.00 O ATOM 1219 CG2 THR B 9 19.932 9.807 22.015 1.00 0.00 C ATOM 0 H THR B 9 16.995 12.429 20.612 1.00 0.00 H new ATOM 0 HA THR B 9 17.156 9.837 22.041 1.00 0.00 H new ATOM 0 HB THR B 9 19.346 11.614 21.004 1.00 0.00 H new ATOM 0 HG1 THR B 9 19.693 9.768 19.533 1.00 0.00 H new ATOM 0 HG21 THR B 9 20.878 9.700 21.484 1.00 0.00 H new ATOM 0 HG22 THR B 9 20.102 10.329 22.957 1.00 0.00 H new ATOM 0 HG23 THR B 9 19.516 8.820 22.217 1.00 0.00 H new ATOM 1227 N LYS B 10 17.653 10.871 24.277 1.00 0.00 N ATOM 1228 CA LYS B 10 17.807 11.405 25.646 1.00 0.00 C ATOM 1229 C LYS B 10 19.277 11.663 26.006 1.00 0.00 C ATOM 1230 O LYS B 10 20.179 10.995 25.501 1.00 0.00 O ATOM 1231 CB LYS B 10 17.189 10.438 26.679 1.00 0.00 C ATOM 1232 CG LYS B 10 15.714 10.099 26.430 1.00 0.00 C ATOM 1233 CD LYS B 10 15.165 9.255 27.591 1.00 0.00 C ATOM 1234 CE LYS B 10 13.732 8.810 27.287 1.00 0.00 C ATOM 1235 NZ LYS B 10 13.136 8.060 28.426 1.00 0.00 N1+ ATOM 0 H LYS B 10 17.484 9.865 24.270 1.00 0.00 H new ATOM 0 HA LYS B 10 17.280 12.359 25.673 1.00 0.00 H new ATOM 0 HB2 LYS B 10 17.766 9.513 26.682 1.00 0.00 H new ATOM 0 HB3 LYS B 10 17.285 10.877 27.672 1.00 0.00 H new ATOM 0 HG2 LYS B 10 15.133 11.016 26.330 1.00 0.00 H new ATOM 0 HG3 LYS B 10 15.611 9.553 25.492 1.00 0.00 H new ATOM 0 HD2 LYS B 10 15.799 8.383 27.748 1.00 0.00 H new ATOM 0 HD3 LYS B 10 15.186 9.835 28.514 1.00 0.00 H new ATOM 0 HE2 LYS B 10 13.119 9.684 27.066 1.00 0.00 H new ATOM 0 HE3 LYS B 10 13.727 8.183 26.396 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 12.166 7.775 28.184 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 13.707 7.213 28.621 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 13.118 8.667 29.270 1.00 0.00 H new ATOM 1249 N ALA B 11 19.512 12.547 26.977 1.00 0.00 N ATOM 1250 CA ALA B 11 20.828 12.748 27.603 1.00 0.00 C ATOM 1251 C ALA B 11 21.314 11.509 28.392 1.00 0.00 C ATOM 1252 O ALA B 11 22.517 11.306 28.554 1.00 0.00 O ATOM 1253 CB ALA B 11 20.741 13.987 28.510 1.00 0.00 C ATOM 0 H ALA B 11 18.786 13.154 27.359 1.00 0.00 H new ATOM 0 HA ALA B 11 21.569 12.901 26.819 1.00 0.00 H new ATOM 0 HB1 ALA B 11 21.706 14.157 28.987 1.00 0.00 H new ATOM 0 HB2 ALA B 11 20.473 14.858 27.912 1.00 0.00 H new ATOM 0 HB3 ALA B 11 19.982 13.825 29.275 1.00 0.00 H new ATOM 1259 N ASP B 12 20.388 10.653 28.843 1.00 0.00 N ATOM 1260 CA ASP B 12 20.655 9.355 29.485 1.00 0.00 C ATOM 1261 C ASP B 12 21.081 8.238 28.498 1.00 0.00 C ATOM 1262 O ASP B 12 21.370 7.108 28.907 1.00 0.00 O ATOM 1263 CB ASP B 12 19.390 8.943 30.262 1.00 0.00 C ATOM 1264 CG ASP B 12 19.633 7.830 31.297 1.00 0.00 C ATOM 1265 OD1 ASP B 12 20.717 7.789 31.931 1.00 0.00 O ATOM 1266 OD2 ASP B 12 18.707 7.015 31.531 1.00 0.00 O1- ATOM 0 H ASP B 12 19.390 10.852 28.768 1.00 0.00 H new ATOM 0 HA ASP B 12 21.508 9.480 30.152 1.00 0.00 H new ATOM 0 HB2 ASP B 12 18.986 9.818 30.771 1.00 0.00 H new ATOM 0 HB3 ASP B 12 18.632 8.609 29.553 1.00 0.00 H new ATOM 1271 N GLY B 13 21.094 8.522 27.186 1.00 0.00 N ATOM 1272 CA GLY B 13 21.401 7.566 26.114 1.00 0.00 C ATOM 1273 C GLY B 13 20.213 6.705 25.664 1.00 0.00 C ATOM 1274 O GLY B 13 20.393 5.788 24.853 1.00 0.00 O ATOM 0 H GLY B 13 20.884 9.455 26.832 1.00 0.00 H new ATOM 0 HA2 GLY B 13 21.781 8.116 25.253 1.00 0.00 H new ATOM 0 HA3 GLY B 13 22.202 6.908 26.451 1.00 0.00 H new ATOM 1278 N GLY B 14 19.006 6.983 26.162 1.00 0.00 N ATOM 1279 CA GLY B 14 17.750 6.381 25.693 1.00 0.00 C ATOM 1280 C GLY B 14 17.236 7.026 24.398 1.00 0.00 C ATOM 1281 O GLY B 14 17.750 8.057 23.960 1.00 0.00 O ATOM 0 H GLY B 14 18.869 7.649 26.922 1.00 0.00 H new ATOM 0 HA2 GLY B 14 17.902 5.314 25.528 1.00 0.00 H new ATOM 0 HA3 GLY B 14 16.992 6.479 26.470 1.00 0.00 H new ATOM 1285 N ARG B 15 16.193 6.448 23.792 1.00 0.00 N ATOM 1286 CA ARG B 15 15.579 6.941 22.544 1.00 0.00 C ATOM 1287 C ARG B 15 14.051 6.814 22.577 1.00 0.00 C ATOM 1288 O ARG B 15 13.524 5.884 23.194 1.00 0.00 O ATOM 1289 CB ARG B 15 16.207 6.207 21.346 1.00 0.00 C ATOM 1290 CG ARG B 15 16.129 7.019 20.036 1.00 0.00 C ATOM 1291 CD ARG B 15 16.672 6.233 18.844 1.00 0.00 C ATOM 1292 NE ARG B 15 15.738 5.167 18.453 1.00 0.00 N ATOM 1293 CZ ARG B 15 16.000 4.006 17.891 1.00 0.00 C ATOM 1294 NH1 ARG B 15 17.204 3.615 17.568 1.00 0.00 N1+ ATOM 1295 NH2 ARG B 15 15.007 3.210 17.650 1.00 0.00 N ATOM 0 H ARG B 15 15.741 5.610 24.157 1.00 0.00 H new ATOM 0 HA ARG B 15 15.784 8.006 22.438 1.00 0.00 H new ATOM 0 HB2 ARG B 15 17.251 5.986 21.569 1.00 0.00 H new ATOM 0 HB3 ARG B 15 15.701 5.252 21.206 1.00 0.00 H new ATOM 0 HG2 ARG B 15 15.093 7.300 19.844 1.00 0.00 H new ATOM 0 HG3 ARG B 15 16.694 7.944 20.148 1.00 0.00 H new ATOM 0 HD2 ARG B 15 16.835 6.906 18.003 1.00 0.00 H new ATOM 0 HD3 ARG B 15 17.639 5.800 19.098 1.00 0.00 H new ATOM 0 HE ARG B 15 14.753 5.352 18.643 1.00 0.00 H new ATOM 0 HH11 ARG B 15 18.003 4.222 17.750 1.00 0.00 H new ATOM 0 HH12 ARG B 15 17.345 2.703 17.134 1.00 0.00 H new ATOM 0 HH21 ARG B 15 14.057 3.491 17.895 1.00 0.00 H new ATOM 0 HH22 ARG B 15 15.175 2.303 17.215 1.00 0.00 H new ATOM 1309 N VAL B 16 13.351 7.750 21.937 1.00 0.00 N ATOM 1310 CA VAL B 16 11.882 7.859 21.916 1.00 0.00 C ATOM 1311 C VAL B 16 11.393 8.093 20.483 1.00 0.00 C ATOM 1312 O VAL B 16 11.979 8.884 19.746 1.00 0.00 O ATOM 1313 CB VAL B 16 11.391 8.981 22.859 1.00 0.00 C ATOM 1314 CG1 VAL B 16 9.865 9.132 22.873 1.00 0.00 C ATOM 1315 CG2 VAL B 16 11.844 8.751 24.310 1.00 0.00 C ATOM 0 H VAL B 16 13.805 8.486 21.395 1.00 0.00 H new ATOM 0 HA VAL B 16 11.462 6.921 22.279 1.00 0.00 H new ATOM 0 HB VAL B 16 11.839 9.890 22.458 1.00 0.00 H new ATOM 0 HG11 VAL B 16 9.585 9.936 23.554 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.514 9.369 21.869 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.410 8.199 23.206 1.00 0.00 H new ATOM 0 HG21 VAL B 16 11.477 9.563 24.939 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.443 7.804 24.670 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.933 8.724 24.351 1.00 0.00 H new ATOM 1325 N GLU B 17 10.291 7.431 20.110 1.00 0.00 N ATOM 1326 CA GLU B 17 9.565 7.634 18.848 1.00 0.00 C ATOM 1327 C GLU B 17 8.096 8.025 19.103 1.00 0.00 C ATOM 1328 O GLU B 17 7.486 7.590 20.088 1.00 0.00 O ATOM 1329 CB GLU B 17 9.618 6.405 17.928 1.00 0.00 C ATOM 1330 CG GLU B 17 11.024 5.903 17.559 1.00 0.00 C ATOM 1331 CD GLU B 17 11.700 5.006 18.616 1.00 0.00 C ATOM 1332 OE1 GLU B 17 12.948 4.883 18.566 1.00 0.00 O ATOM 1333 OE2 GLU B 17 11.015 4.361 19.444 1.00 0.00 O1- ATOM 0 H GLU B 17 9.865 6.715 20.698 1.00 0.00 H new ATOM 0 HA GLU B 17 10.073 8.453 18.339 1.00 0.00 H new ATOM 0 HB2 GLU B 17 9.077 5.591 18.410 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.084 6.641 17.007 1.00 0.00 H new ATOM 0 HG2 GLU B 17 10.960 5.349 16.623 1.00 0.00 H new ATOM 0 HG3 GLU B 17 11.664 6.766 17.375 1.00 0.00 H new ATOM 1340 N ILE B 18 7.501 8.805 18.194 1.00 0.00 N ATOM 1341 CA ILE B 18 6.069 9.154 18.163 1.00 0.00 C ATOM 1342 C ILE B 18 5.546 8.921 16.737 1.00 0.00 C ATOM 1343 O ILE B 18 6.106 9.478 15.792 1.00 0.00 O ATOM 1344 CB ILE B 18 5.835 10.623 18.588 1.00 0.00 C ATOM 1345 CG1 ILE B 18 6.370 10.931 20.007 1.00 0.00 C ATOM 1346 CG2 ILE B 18 4.335 10.977 18.516 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.551 12.431 20.251 1.00 0.00 C ATOM 0 H ILE B 18 8.022 9.230 17.427 1.00 0.00 H new ATOM 0 HA ILE B 18 5.531 8.525 18.872 1.00 0.00 H new ATOM 0 HB ILE B 18 6.396 11.238 17.885 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.681 10.526 20.748 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.325 10.425 20.150 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.191 12.014 18.819 1.00 0.00 H new ATOM 0 HG22 ILE B 18 3.978 10.844 17.495 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.774 10.323 19.184 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.928 12.592 21.261 1.00 0.00 H new ATOM 0 HD12 ILE B 18 7.262 12.834 19.529 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.592 12.937 20.137 1.00 0.00 H new ATOM 1359 N GLY B 19 4.494 8.114 16.576 1.00 0.00 N ATOM 1360 CA GLY B 19 3.846 7.831 15.288 1.00 0.00 C ATOM 1361 C GLY B 19 2.618 8.704 14.994 1.00 0.00 C ATOM 1362 O GLY B 19 2.102 9.412 15.863 1.00 0.00 O ATOM 0 H GLY B 19 4.056 7.625 17.357 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.575 7.969 14.490 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.546 6.783 15.268 1.00 0.00 H new ATOM 1366 N ASP B 20 2.122 8.625 13.752 1.00 0.00 N ATOM 1367 CA ASP B 20 0.891 9.274 13.267 1.00 0.00 C ATOM 1368 C ASP B 20 0.850 10.805 13.501 1.00 0.00 C ATOM 1369 O ASP B 20 -0.177 11.372 13.881 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.364 8.541 13.795 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.376 7.021 13.551 1.00 0.00 C ATOM 1372 OD1 ASP B 20 -1.105 6.308 14.283 1.00 0.00 O ATOM 1373 OD2 ASP B 20 0.309 6.516 12.629 1.00 0.00 O1- ATOM 0 H ASP B 20 2.587 8.083 13.023 1.00 0.00 H new ATOM 0 HA ASP B 20 0.895 9.177 12.181 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.450 8.723 14.866 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.246 8.977 13.326 1.00 0.00 H new ATOM 1378 N VAL B 21 1.988 11.479 13.310 1.00 0.00 N ATOM 1379 CA VAL B 21 2.195 12.911 13.594 1.00 0.00 C ATOM 1380 C VAL B 21 1.599 13.798 12.496 1.00 0.00 C ATOM 1381 O VAL B 21 2.031 13.734 11.343 1.00 0.00 O ATOM 1382 CB VAL B 21 3.696 13.206 13.812 1.00 0.00 C ATOM 1383 CG1 VAL B 21 3.956 14.693 14.049 1.00 0.00 C ATOM 1384 CG2 VAL B 21 4.228 12.436 15.029 1.00 0.00 C ATOM 0 H VAL B 21 2.825 11.029 12.939 1.00 0.00 H new ATOM 0 HA VAL B 21 1.665 13.152 14.515 1.00 0.00 H new ATOM 0 HB VAL B 21 4.208 12.890 12.903 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.023 14.857 14.198 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.618 15.264 13.184 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.412 15.021 14.935 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.287 12.657 15.165 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.677 12.737 15.920 1.00 0.00 H new ATOM 0 HG23 VAL B 21 4.099 11.366 14.867 1.00 0.00 H new ATOM 1394 N LEU B 22 0.648 14.662 12.861 1.00 0.00 N ATOM 1395 CA LEU B 22 0.060 15.683 11.983 1.00 0.00 C ATOM 1396 C LEU B 22 0.908 16.955 11.905 1.00 0.00 C ATOM 1397 O LEU B 22 0.960 17.586 10.851 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.354 16.062 12.463 1.00 0.00 C ATOM 1399 CG LEU B 22 -2.402 14.940 12.427 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.761 15.526 12.810 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -2.556 14.286 11.054 1.00 0.00 C ATOM 0 H LEU B 22 0.253 14.673 13.801 1.00 0.00 H new ATOM 0 HA LEU B 22 0.018 15.240 10.988 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.282 16.432 13.486 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.715 16.888 11.850 1.00 0.00 H new ATOM 0 HG LEU B 22 -2.059 14.175 13.123 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.515 14.740 12.789 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.705 15.948 13.813 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.032 16.309 12.102 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -3.313 13.504 11.107 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -2.861 15.037 10.325 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -1.604 13.850 10.750 1.00 0.00 H new ATOM 1413 N GLU B 23 1.583 17.350 12.987 1.00 0.00 N ATOM 1414 CA GLU B 23 2.483 18.516 12.997 1.00 0.00 C ATOM 1415 C GLU B 23 3.556 18.460 14.098 1.00 0.00 C ATOM 1416 O GLU B 23 3.372 17.843 15.154 1.00 0.00 O ATOM 1417 CB GLU B 23 1.691 19.842 13.071 1.00 0.00 C ATOM 1418 CG GLU B 23 0.855 20.001 14.349 1.00 0.00 C ATOM 1419 CD GLU B 23 0.122 21.355 14.408 1.00 0.00 C ATOM 1420 OE1 GLU B 23 -1.000 21.408 14.973 1.00 0.00 O ATOM 1421 OE2 GLU B 23 0.662 22.373 13.907 1.00 0.00 O1- ATOM 0 H GLU B 23 1.524 16.872 13.886 1.00 0.00 H new ATOM 0 HA GLU B 23 3.017 18.479 12.048 1.00 0.00 H new ATOM 0 HB2 GLU B 23 2.390 20.675 13.001 1.00 0.00 H new ATOM 0 HB3 GLU B 23 1.030 19.907 12.207 1.00 0.00 H new ATOM 0 HG2 GLU B 23 0.125 19.193 14.405 1.00 0.00 H new ATOM 0 HG3 GLU B 23 1.505 19.905 15.219 1.00 0.00 H new ATOM 1428 N VAL B 24 4.665 19.162 13.851 1.00 0.00 N ATOM 1429 CA VAL B 24 5.791 19.383 14.771 1.00 0.00 C ATOM 1430 C VAL B 24 6.084 20.880 14.842 1.00 0.00 C ATOM 1431 O VAL B 24 6.115 21.550 13.810 1.00 0.00 O ATOM 1432 CB VAL B 24 7.042 18.597 14.333 1.00 0.00 C ATOM 1433 CG1 VAL B 24 8.161 18.703 15.374 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.737 17.111 14.131 1.00 0.00 C ATOM 0 H VAL B 24 4.813 19.619 12.951 1.00 0.00 H new ATOM 0 HA VAL B 24 5.518 19.016 15.760 1.00 0.00 H new ATOM 0 HB VAL B 24 7.360 19.041 13.390 1.00 0.00 H new ATOM 0 HG11 VAL B 24 9.029 18.138 15.034 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.438 19.749 15.505 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.813 18.298 16.324 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.645 16.592 13.823 1.00 0.00 H new ATOM 0 HG22 VAL B 24 6.374 16.684 15.066 1.00 0.00 H new ATOM 0 HG23 VAL B 24 5.975 16.998 13.360 1.00 0.00 H new ATOM 1444 N ARG B 25 6.280 21.412 16.051 1.00 0.00 N ATOM 1445 CA ARG B 25 6.341 22.853 16.353 1.00 0.00 C ATOM 1446 C ARG B 25 7.515 23.171 17.278 1.00 0.00 C ATOM 1447 O ARG B 25 7.590 22.622 18.375 1.00 0.00 O ATOM 1448 CB ARG B 25 5.013 23.259 17.023 1.00 0.00 C ATOM 1449 CG ARG B 25 3.793 23.181 16.085 1.00 0.00 C ATOM 1450 CD ARG B 25 2.482 23.244 16.874 1.00 0.00 C ATOM 1451 NE ARG B 25 2.200 21.965 17.569 1.00 0.00 N ATOM 1452 CZ ARG B 25 2.115 21.740 18.868 1.00 0.00 C ATOM 1453 NH1 ARG B 25 2.279 22.654 19.777 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 1.837 20.557 19.322 1.00 0.00 N ATOM 0 H ARG B 25 6.406 20.833 16.881 1.00 0.00 H new ATOM 0 HA ARG B 25 6.490 23.413 15.430 1.00 0.00 H new ATOM 0 HB2 ARG B 25 4.839 22.614 17.884 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.104 24.277 17.401 1.00 0.00 H new ATOM 0 HG2 ARG B 25 3.829 24.002 15.369 1.00 0.00 H new ATOM 0 HG3 ARG B 25 3.831 22.255 15.511 1.00 0.00 H new ATOM 0 HD2 ARG B 25 2.535 24.051 17.604 1.00 0.00 H new ATOM 0 HD3 ARG B 25 1.661 23.480 16.197 1.00 0.00 H new ATOM 0 HE ARG B 25 2.053 21.155 16.967 1.00 0.00 H new ATOM 0 HH11 ARG B 25 2.487 23.614 19.503 1.00 0.00 H new ATOM 0 HH12 ARG B 25 2.199 22.411 20.764 1.00 0.00 H new ATOM 0 HH21 ARG B 25 1.681 19.786 18.673 1.00 0.00 H new ATOM 0 HH22 ARG B 25 1.775 20.398 20.328 1.00 0.00 H new ATOM 1468 N ALA B 26 8.416 24.055 16.861 1.00 0.00 N ATOM 1469 CA ALA B 26 9.527 24.543 17.677 1.00 0.00 C ATOM 1470 C ALA B 26 9.172 25.878 18.368 1.00 0.00 C ATOM 1471 O ALA B 26 8.609 26.789 17.754 1.00 0.00 O ATOM 1472 CB ALA B 26 10.787 24.660 16.806 1.00 0.00 C ATOM 0 H ALA B 26 8.395 24.462 15.926 1.00 0.00 H new ATOM 0 HA ALA B 26 9.727 23.828 18.475 1.00 0.00 H new ATOM 0 HB1 ALA B 26 11.616 25.024 17.413 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.039 23.682 16.397 1.00 0.00 H new ATOM 0 HB3 ALA B 26 10.601 25.358 15.990 1.00 0.00 H new ATOM 1478 N GLU B 27 9.561 26.024 19.636 1.00 0.00 N ATOM 1479 CA GLU B 27 9.428 27.250 20.448 1.00 0.00 C ATOM 1480 C GLU B 27 10.770 28.002 20.610 1.00 0.00 C ATOM 1481 O GLU B 27 10.921 28.857 21.480 1.00 0.00 O ATOM 1482 CB GLU B 27 8.788 26.928 21.811 1.00 0.00 C ATOM 1483 CG GLU B 27 7.421 26.233 21.704 1.00 0.00 C ATOM 1484 CD GLU B 27 6.657 26.204 23.050 1.00 0.00 C ATOM 1485 OE1 GLU B 27 7.285 26.195 24.140 1.00 0.00 O ATOM 1486 OE2 GLU B 27 5.402 26.142 23.026 1.00 0.00 O1- ATOM 0 H GLU B 27 9.997 25.261 20.154 1.00 0.00 H new ATOM 0 HA GLU B 27 8.765 27.927 19.910 1.00 0.00 H new ATOM 0 HB2 GLU B 27 9.466 26.291 22.379 1.00 0.00 H new ATOM 0 HB3 GLU B 27 8.672 27.853 22.375 1.00 0.00 H new ATOM 0 HG2 GLU B 27 6.815 26.747 20.958 1.00 0.00 H new ATOM 0 HG3 GLU B 27 7.564 25.212 21.350 1.00 0.00 H new ATOM 1493 N GLY B 28 11.779 27.651 19.802 1.00 0.00 N ATOM 1494 CA GLY B 28 13.151 28.186 19.845 1.00 0.00 C ATOM 1495 C GLY B 28 14.048 27.591 20.947 1.00 0.00 C ATOM 1496 O GLY B 28 15.247 27.423 20.729 1.00 0.00 O ATOM 0 H GLY B 28 11.658 26.955 19.066 1.00 0.00 H new ATOM 0 HA2 GLY B 28 13.624 28.010 18.879 1.00 0.00 H new ATOM 0 HA3 GLY B 28 13.100 29.266 19.983 1.00 0.00 H new ATOM 1500 N GLY B 29 13.465 27.228 22.093 1.00 0.00 N ATOM 1501 CA GLY B 29 14.104 26.516 23.209 1.00 0.00 C ATOM 1502 C GLY B 29 13.459 25.164 23.555 1.00 0.00 C ATOM 1503 O GLY B 29 13.821 24.556 24.563 1.00 0.00 O ATOM 0 H GLY B 29 12.483 27.432 22.279 1.00 0.00 H new ATOM 0 HA2 GLY B 29 15.154 26.352 22.965 1.00 0.00 H new ATOM 0 HA3 GLY B 29 14.078 27.154 24.093 1.00 0.00 H new ATOM 1507 N ALA B 30 12.487 24.696 22.768 1.00 0.00 N ATOM 1508 CA ALA B 30 11.754 23.440 22.955 1.00 0.00 C ATOM 1509 C ALA B 30 11.094 22.963 21.645 1.00 0.00 C ATOM 1510 O ALA B 30 10.931 23.747 20.706 1.00 0.00 O ATOM 1511 CB ALA B 30 10.680 23.665 24.033 1.00 0.00 C ATOM 0 H ALA B 30 12.174 25.207 21.943 1.00 0.00 H new ATOM 0 HA ALA B 30 12.454 22.664 23.264 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.122 22.742 24.189 1.00 0.00 H new ATOM 0 HB2 ALA B 30 11.158 23.962 24.967 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.998 24.451 23.709 1.00 0.00 H new ATOM 1517 N VAL B 31 10.653 21.699 21.609 1.00 0.00 N ATOM 1518 CA VAL B 31 9.822 21.127 20.519 1.00 0.00 C ATOM 1519 C VAL B 31 8.553 20.464 21.067 1.00 0.00 C ATOM 1520 O VAL B 31 8.577 19.857 22.141 1.00 0.00 O ATOM 1521 CB VAL B 31 10.625 20.148 19.635 1.00 0.00 C ATOM 1522 CG1 VAL B 31 9.768 19.443 18.571 1.00 0.00 C ATOM 1523 CG2 VAL B 31 11.729 20.891 18.872 1.00 0.00 C ATOM 0 H VAL B 31 10.863 21.025 22.346 1.00 0.00 H new ATOM 0 HA VAL B 31 9.515 21.959 19.885 1.00 0.00 H new ATOM 0 HB VAL B 31 11.026 19.408 20.327 1.00 0.00 H new ATOM 0 HG11 VAL B 31 10.395 18.770 17.986 1.00 0.00 H new ATOM 0 HG12 VAL B 31 8.979 18.871 19.060 1.00 0.00 H new ATOM 0 HG13 VAL B 31 9.321 20.187 17.912 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.284 20.184 18.255 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.281 21.655 18.236 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.408 21.363 19.582 1.00 0.00 H new ATOM 1533 N ARG B 32 7.449 20.573 20.322 1.00 0.00 N ATOM 1534 CA ARG B 32 6.124 19.995 20.607 1.00 0.00 C ATOM 1535 C ARG B 32 5.587 19.242 19.382 1.00 0.00 C ATOM 1536 O ARG B 32 5.896 19.603 18.247 1.00 0.00 O ATOM 1537 CB ARG B 32 5.162 21.114 21.054 1.00 0.00 C ATOM 1538 CG ARG B 32 5.589 21.763 22.390 1.00 0.00 C ATOM 1539 CD ARG B 32 4.830 23.059 22.703 1.00 0.00 C ATOM 1540 NE ARG B 32 3.409 22.850 23.021 1.00 0.00 N ATOM 1541 CZ ARG B 32 2.587 23.739 23.547 1.00 0.00 C ATOM 1542 NH1 ARG B 32 2.953 24.965 23.803 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 1.366 23.397 23.827 1.00 0.00 N ATOM 0 H ARG B 32 7.453 21.099 19.448 1.00 0.00 H new ATOM 0 HA ARG B 32 6.210 19.271 21.417 1.00 0.00 H new ATOM 0 HB2 ARG B 32 5.116 21.880 20.280 1.00 0.00 H new ATOM 0 HB3 ARG B 32 4.157 20.705 21.157 1.00 0.00 H new ATOM 0 HG2 ARG B 32 5.429 21.051 23.200 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.658 21.974 22.358 1.00 0.00 H new ATOM 0 HD2 ARG B 32 5.312 23.558 23.544 1.00 0.00 H new ATOM 0 HD3 ARG B 32 4.907 23.730 21.848 1.00 0.00 H new ATOM 0 HE ARG B 32 3.021 21.929 22.815 1.00 0.00 H new ATOM 0 HH11 ARG B 32 3.905 25.267 23.596 1.00 0.00 H new ATOM 0 HH12 ARG B 32 2.287 25.622 24.210 1.00 0.00 H new ATOM 0 HH21 ARG B 32 1.047 22.446 23.640 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.726 24.079 24.234 1.00 0.00 H new ATOM 1557 N VAL B 33 4.810 18.183 19.604 1.00 0.00 N ATOM 1558 CA VAL B 33 4.387 17.207 18.582 1.00 0.00 C ATOM 1559 C VAL B 33 2.896 16.876 18.747 1.00 0.00 C ATOM 1560 O VAL B 33 2.475 16.569 19.861 1.00 0.00 O ATOM 1561 CB VAL B 33 5.238 15.918 18.683 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.863 14.892 17.609 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.739 16.191 18.546 1.00 0.00 C ATOM 0 H VAL B 33 4.441 17.967 20.530 1.00 0.00 H new ATOM 0 HA VAL B 33 4.540 17.647 17.597 1.00 0.00 H new ATOM 0 HB VAL B 33 5.023 15.522 19.676 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.486 14.005 17.720 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.815 14.615 17.721 1.00 0.00 H new ATOM 0 HG13 VAL B 33 5.021 15.325 16.621 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.288 15.253 18.624 1.00 0.00 H new ATOM 0 HG22 VAL B 33 6.939 16.648 17.577 1.00 0.00 H new ATOM 0 HG23 VAL B 33 7.060 16.866 19.339 1.00 0.00 H new ATOM 1573 N THR B 34 2.113 16.901 17.663 1.00 0.00 N ATOM 1574 CA THR B 34 0.664 16.586 17.667 1.00 0.00 C ATOM 1575 C THR B 34 0.348 15.330 16.844 1.00 0.00 C ATOM 1576 O THR B 34 0.702 15.261 15.665 1.00 0.00 O ATOM 1577 CB THR B 34 -0.176 17.742 17.104 1.00 0.00 C ATOM 1578 OG1 THR B 34 0.182 18.973 17.691 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.674 17.553 17.349 1.00 0.00 C ATOM 0 H THR B 34 2.466 17.144 16.738 1.00 0.00 H new ATOM 0 HA THR B 34 0.405 16.417 18.712 1.00 0.00 H new ATOM 0 HB THR B 34 0.027 17.746 16.033 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.369 19.689 17.311 1.00 0.00 H new ATOM 0 HG21 THR B 34 -2.221 18.398 16.931 1.00 0.00 H new ATOM 0 HG22 THR B 34 -2.008 16.633 16.870 1.00 0.00 H new ATOM 0 HG23 THR B 34 -1.863 17.493 18.421 1.00 0.00 H new ATOM 1587 N THR B 35 -0.362 14.364 17.432 1.00 0.00 N ATOM 1588 CA THR B 35 -0.801 13.129 16.754 1.00 0.00 C ATOM 1589 C THR B 35 -2.175 13.250 16.076 1.00 0.00 C ATOM 1590 O THR B 35 -2.957 14.167 16.348 1.00 0.00 O ATOM 1591 CB THR B 35 -0.822 11.934 17.724 1.00 0.00 C ATOM 1592 OG1 THR B 35 -1.828 12.099 18.695 1.00 0.00 O ATOM 1593 CG2 THR B 35 0.510 11.707 18.437 1.00 0.00 C ATOM 0 H THR B 35 -0.656 14.413 18.408 1.00 0.00 H new ATOM 0 HA THR B 35 -0.063 12.961 15.970 1.00 0.00 H new ATOM 0 HB THR B 35 -1.023 11.059 17.106 1.00 0.00 H new ATOM 0 HG1 THR B 35 -1.603 12.857 19.274 1.00 0.00 H new ATOM 0 HG21 THR B 35 0.424 10.850 19.105 1.00 0.00 H new ATOM 0 HG22 THR B 35 1.289 11.516 17.700 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.768 12.593 19.016 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.508 12.267 15.233 1.00 0.00 N ATOM 1602 CA LEU B 36 -3.817 12.053 14.597 1.00 0.00 C ATOM 1603 C LEU B 36 -4.990 12.006 15.601 1.00 0.00 C ATOM 1604 O LEU B 36 -6.113 12.378 15.261 1.00 0.00 O ATOM 1605 CB LEU B 36 -3.695 10.748 13.786 1.00 0.00 C ATOM 1606 CG LEU B 36 -4.984 10.206 13.140 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -5.588 11.171 12.118 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -4.683 8.896 12.406 1.00 0.00 C ATOM 0 H LEU B 36 -1.831 11.555 14.958 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.059 12.899 13.954 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -2.961 10.907 12.996 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.295 9.976 14.443 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.697 10.064 13.952 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.494 10.735 11.697 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.833 12.113 12.608 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -4.868 11.353 11.320 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -5.597 8.516 11.950 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.939 9.076 11.630 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -4.298 8.162 13.114 1.00 0.00 H new ATOM 1620 N PHE B 37 -4.723 11.570 16.834 1.00 0.00 N ATOM 1621 CA PHE B 37 -5.713 11.404 17.909 1.00 0.00 C ATOM 1622 C PHE B 37 -5.742 12.575 18.915 1.00 0.00 C ATOM 1623 O PHE B 37 -6.270 12.440 20.019 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.513 10.017 18.550 1.00 0.00 C ATOM 1625 CG PHE B 37 -5.572 8.906 17.516 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -4.388 8.302 17.045 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -6.810 8.557 16.940 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -4.442 7.376 15.989 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -6.863 7.630 15.883 1.00 0.00 C ATOM 1630 CZ PHE B 37 -5.678 7.050 15.398 1.00 0.00 C ATOM 0 H PHE B 37 -3.780 11.313 17.125 1.00 0.00 H new ATOM 0 HA PHE B 37 -6.714 11.441 17.479 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.551 9.988 19.061 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -6.281 9.852 19.306 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -3.439 8.551 17.496 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -7.721 9.003 17.311 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -3.534 6.914 15.630 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -7.814 7.364 15.445 1.00 0.00 H new ATOM 0 HZ PHE B 37 -5.715 6.355 14.572 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.192 13.731 18.517 1.00 0.00 N ATOM 1641 CA ASP B 38 -5.121 14.987 19.288 1.00 0.00 C ATOM 1642 C ASP B 38 -4.314 14.916 20.604 1.00 0.00 C ATOM 1643 O ASP B 38 -4.380 15.834 21.427 1.00 0.00 O ATOM 1644 CB ASP B 38 -6.518 15.618 19.467 1.00 0.00 C ATOM 1645 CG ASP B 38 -7.309 15.803 18.163 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -6.712 16.092 17.097 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -8.561 15.698 18.210 1.00 0.00 O1- ATOM 0 H ASP B 38 -4.760 13.823 17.598 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.525 15.662 18.673 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -7.100 14.993 20.144 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -6.404 16.589 19.948 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.523 13.864 20.817 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.529 13.812 21.894 1.00 0.00 C ATOM 1654 C GLU B 39 -1.340 14.723 21.556 1.00 0.00 C ATOM 1655 O GLU B 39 -0.807 14.667 20.443 1.00 0.00 O ATOM 1656 CB GLU B 39 -2.050 12.368 22.159 1.00 0.00 C ATOM 1657 CG GLU B 39 -3.167 11.353 22.466 1.00 0.00 C ATOM 1658 CD GLU B 39 -4.017 11.716 23.699 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -5.217 11.345 23.742 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -3.499 12.332 24.663 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.552 13.019 20.246 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.004 14.170 22.808 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.495 12.021 21.288 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.353 12.381 22.997 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -3.820 11.272 21.597 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -2.720 10.371 22.621 1.00 0.00 H new ATOM 1667 N GLU B 40 -0.907 15.546 22.517 1.00 0.00 N ATOM 1668 CA GLU B 40 0.305 16.368 22.419 1.00 0.00 C ATOM 1669 C GLU B 40 1.462 15.788 23.262 1.00 0.00 C ATOM 1670 O GLU B 40 1.272 15.359 24.406 1.00 0.00 O ATOM 1671 CB GLU B 40 0.005 17.837 22.790 1.00 0.00 C ATOM 1672 CG GLU B 40 1.273 18.704 22.725 1.00 0.00 C ATOM 1673 CD GLU B 40 1.013 20.213 22.833 1.00 0.00 C ATOM 1674 OE1 GLU B 40 1.626 20.969 22.040 1.00 0.00 O ATOM 1675 OE2 GLU B 40 0.280 20.686 23.734 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.399 15.662 23.403 1.00 0.00 H new ATOM 0 HA GLU B 40 0.635 16.349 21.380 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -0.747 18.239 22.111 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -0.416 17.881 23.794 1.00 0.00 H new ATOM 0 HG2 GLU B 40 1.945 18.405 23.529 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.789 18.502 21.786 1.00 0.00 H new ATOM 1682 N HIS B 41 2.678 15.836 22.706 1.00 0.00 N ATOM 1683 CA HIS B 41 3.950 15.574 23.397 1.00 0.00 C ATOM 1684 C HIS B 41 4.826 16.842 23.383 1.00 0.00 C ATOM 1685 O HIS B 41 4.722 17.654 22.458 1.00 0.00 O ATOM 1686 CB HIS B 41 4.666 14.386 22.742 1.00 0.00 C ATOM 1687 CG HIS B 41 3.815 13.146 22.601 1.00 0.00 C ATOM 1688 ND1 HIS B 41 3.651 12.153 23.572 1.00 0.00 N ATOM 1689 CD2 HIS B 41 3.037 12.835 21.522 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.784 11.269 23.046 1.00 0.00 C ATOM 1691 NE2 HIS B 41 2.403 11.648 21.819 1.00 0.00 N ATOM 0 H HIS B 41 2.810 16.068 21.722 1.00 0.00 H new ATOM 0 HA HIS B 41 3.754 15.314 24.437 1.00 0.00 H new ATOM 0 HB2 HIS B 41 5.015 14.687 21.754 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.550 14.140 23.331 1.00 0.00 H new ATOM 0 HD2 HIS B 41 2.938 13.408 20.612 1.00 0.00 H new ATOM 0 HE1 HIS B 41 2.442 10.375 23.545 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.756 11.146 21.211 1.00 0.00 H new ATOM 1699 N ALA B 42 5.685 17.029 24.390 1.00 0.00 N ATOM 1700 CA ALA B 42 6.517 18.227 24.548 1.00 0.00 C ATOM 1701 C ALA B 42 7.897 17.910 25.154 1.00 0.00 C ATOM 1702 O ALA B 42 8.011 17.096 26.075 1.00 0.00 O ATOM 1703 CB ALA B 42 5.755 19.244 25.409 1.00 0.00 C ATOM 0 H ALA B 42 5.824 16.341 25.130 1.00 0.00 H new ATOM 0 HA ALA B 42 6.712 18.646 23.561 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.362 20.141 25.535 1.00 0.00 H new ATOM 0 HB2 ALA B 42 4.818 19.506 24.918 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.544 18.808 26.386 1.00 0.00 H new ATOM 1709 N PHE B 43 8.940 18.585 24.652 1.00 0.00 N ATOM 1710 CA PHE B 43 10.349 18.300 24.952 1.00 0.00 C ATOM 1711 C PHE B 43 11.170 19.603 25.049 1.00 0.00 C ATOM 1712 O PHE B 43 11.541 20.172 24.013 1.00 0.00 O ATOM 1713 CB PHE B 43 10.915 17.365 23.868 1.00 0.00 C ATOM 1714 CG PHE B 43 10.128 16.084 23.678 1.00 0.00 C ATOM 1715 CD1 PHE B 43 10.303 15.005 24.567 1.00 0.00 C ATOM 1716 CD2 PHE B 43 9.174 15.990 22.646 1.00 0.00 C ATOM 1717 CE1 PHE B 43 9.520 13.844 24.431 1.00 0.00 C ATOM 1718 CE2 PHE B 43 8.384 14.835 22.520 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.558 13.762 23.411 1.00 0.00 C ATOM 0 H PHE B 43 8.823 19.367 24.007 1.00 0.00 H new ATOM 0 HA PHE B 43 10.417 17.806 25.921 1.00 0.00 H new ATOM 0 HB2 PHE B 43 10.946 17.903 22.920 1.00 0.00 H new ATOM 0 HB3 PHE B 43 11.944 17.111 24.124 1.00 0.00 H new ATOM 0 HD1 PHE B 43 11.040 15.069 25.354 1.00 0.00 H new ATOM 0 HD2 PHE B 43 9.050 16.807 21.951 1.00 0.00 H new ATOM 0 HE1 PHE B 43 9.659 13.016 25.111 1.00 0.00 H new ATOM 0 HE2 PHE B 43 7.642 14.772 21.738 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.952 12.874 23.311 1.00 0.00 H new ATOM 1729 N PRO B 44 11.470 20.104 26.262 1.00 0.00 N ATOM 1730 CA PRO B 44 12.341 21.268 26.435 1.00 0.00 C ATOM 1731 C PRO B 44 13.792 20.946 26.051 1.00 0.00 C ATOM 1732 O PRO B 44 14.284 19.834 26.258 1.00 0.00 O ATOM 1733 CB PRO B 44 12.201 21.674 27.906 1.00 0.00 C ATOM 1734 CG PRO B 44 11.852 20.360 28.606 1.00 0.00 C ATOM 1735 CD PRO B 44 11.021 19.615 27.560 1.00 0.00 C ATOM 0 HA PRO B 44 12.054 22.089 25.778 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.125 22.103 28.294 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.420 22.422 28.044 1.00 0.00 H new ATOM 0 HG2 PRO B 44 12.746 19.801 28.882 1.00 0.00 H new ATOM 0 HG3 PRO B 44 11.287 20.530 29.522 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.167 18.538 27.642 1.00 0.00 H new ATOM 0 HD3 PRO B 44 9.957 19.805 27.701 1.00 0.00 H new ATOM 1743 N GLY B 45 14.499 21.939 25.500 1.00 0.00 N ATOM 1744 CA GLY B 45 15.919 21.854 25.138 1.00 0.00 C ATOM 1745 C GLY B 45 16.211 21.140 23.811 1.00 0.00 C ATOM 1746 O GLY B 45 17.376 20.836 23.547 1.00 0.00 O ATOM 0 H GLY B 45 14.089 22.848 25.288 1.00 0.00 H new ATOM 0 HA2 GLY B 45 16.326 22.864 25.087 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.451 21.336 25.936 1.00 0.00 H new ATOM 1750 N LEU B 46 15.195 20.854 22.993 1.00 0.00 N ATOM 1751 CA LEU B 46 15.340 20.316 21.632 1.00 0.00 C ATOM 1752 C LEU B 46 15.046 21.365 20.545 1.00 0.00 C ATOM 1753 O LEU B 46 14.427 22.399 20.805 1.00 0.00 O ATOM 1754 CB LEU B 46 14.446 19.067 21.451 1.00 0.00 C ATOM 1755 CG LEU B 46 14.711 17.873 22.391 1.00 0.00 C ATOM 1756 CD1 LEU B 46 13.905 16.665 21.915 1.00 0.00 C ATOM 1757 CD2 LEU B 46 16.184 17.442 22.421 1.00 0.00 C ATOM 0 H LEU B 46 14.221 20.993 23.263 1.00 0.00 H new ATOM 0 HA LEU B 46 16.384 20.027 21.509 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.407 19.373 21.577 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.554 18.719 20.424 1.00 0.00 H new ATOM 0 HG LEU B 46 14.423 18.202 23.389 1.00 0.00 H new ATOM 0 HD11 LEU B 46 14.091 15.820 22.578 1.00 0.00 H new ATOM 0 HD12 LEU B 46 12.843 16.909 21.927 1.00 0.00 H new ATOM 0 HD13 LEU B 46 14.206 16.404 20.901 1.00 0.00 H new ATOM 0 HD21 LEU B 46 16.302 16.598 23.101 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.497 17.148 21.419 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.799 18.274 22.764 1.00 0.00 H new ATOM 1769 N ALA B 47 15.444 21.049 19.313 1.00 0.00 N ATOM 1770 CA ALA B 47 15.086 21.727 18.066 1.00 0.00 C ATOM 1771 C ALA B 47 14.887 20.706 16.924 1.00 0.00 C ATOM 1772 O ALA B 47 15.380 19.579 16.994 1.00 0.00 O ATOM 1773 CB ALA B 47 16.171 22.761 17.724 1.00 0.00 C ATOM 0 H ALA B 47 16.068 20.259 19.148 1.00 0.00 H new ATOM 0 HA ALA B 47 14.137 22.248 18.193 1.00 0.00 H new ATOM 0 HB1 ALA B 47 15.910 23.269 16.796 1.00 0.00 H new ATOM 0 HB2 ALA B 47 16.244 23.492 18.530 1.00 0.00 H new ATOM 0 HB3 ALA B 47 17.130 22.256 17.604 1.00 0.00 H new ATOM 1779 N ILE B 48 14.168 21.096 15.864 1.00 0.00 N ATOM 1780 CA ILE B 48 13.941 20.261 14.670 1.00 0.00 C ATOM 1781 C ILE B 48 15.211 20.272 13.797 1.00 0.00 C ATOM 1782 O ILE B 48 15.635 21.335 13.340 1.00 0.00 O ATOM 1783 CB ILE B 48 12.693 20.738 13.884 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.420 20.795 14.768 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.457 19.828 12.659 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.248 21.550 14.114 1.00 0.00 C ATOM 0 H ILE B 48 13.721 22.011 15.807 1.00 0.00 H new ATOM 0 HA ILE B 48 13.740 19.235 14.977 1.00 0.00 H new ATOM 0 HB ILE B 48 12.892 21.756 13.548 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.102 19.778 14.999 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.667 21.275 15.715 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.578 20.172 12.114 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.328 19.866 12.004 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.299 18.802 12.993 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.393 21.549 14.789 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.547 22.578 13.908 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.974 21.058 13.181 1.00 0.00 H new ATOM 1798 N GLY B 49 15.824 19.107 13.572 1.00 0.00 N ATOM 1799 CA GLY B 49 17.104 18.965 12.858 1.00 0.00 C ATOM 1800 C GLY B 49 16.991 18.507 11.403 1.00 0.00 C ATOM 1801 O GLY B 49 17.684 19.040 10.527 1.00 0.00 O ATOM 0 H GLY B 49 15.440 18.216 13.886 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.623 19.923 12.881 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.726 18.252 13.399 1.00 0.00 H new ATOM 1805 N ARG B 50 16.133 17.515 11.125 1.00 0.00 N ATOM 1806 CA ARG B 50 15.895 16.955 9.784 1.00 0.00 C ATOM 1807 C ARG B 50 14.420 16.610 9.572 1.00 0.00 C ATOM 1808 O ARG B 50 13.744 16.153 10.493 1.00 0.00 O ATOM 1809 CB ARG B 50 16.753 15.691 9.530 1.00 0.00 C ATOM 1810 CG ARG B 50 18.228 15.966 9.207 1.00 0.00 C ATOM 1811 CD ARG B 50 19.154 15.975 10.429 1.00 0.00 C ATOM 1812 NE ARG B 50 20.546 16.205 10.002 1.00 0.00 N ATOM 1813 CZ ARG B 50 21.066 17.352 9.594 1.00 0.00 C ATOM 1814 NH1 ARG B 50 20.429 18.482 9.616 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 22.269 17.416 9.115 1.00 0.00 N ATOM 0 H ARG B 50 15.569 17.066 11.847 1.00 0.00 H new ATOM 0 HA ARG B 50 16.186 17.728 9.073 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.702 15.052 10.411 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.314 15.131 8.704 1.00 0.00 H new ATOM 0 HG2 ARG B 50 18.580 15.210 8.505 1.00 0.00 H new ATOM 0 HG3 ARG B 50 18.303 16.929 8.703 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.844 16.755 11.125 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.079 15.026 10.960 1.00 0.00 H new ATOM 0 HE ARG B 50 21.171 15.399 10.023 1.00 0.00 H new ATOM 0 HH11 ARG B 50 19.470 18.520 9.962 1.00 0.00 H new ATOM 0 HH12 ARG B 50 20.887 19.332 9.287 1.00 0.00 H new ATOM 0 HH21 ARG B 50 22.836 16.571 9.046 1.00 0.00 H new ATOM 0 HH22 ARG B 50 22.648 18.311 8.807 1.00 0.00 H new ATOM 1829 N VAL B 51 13.955 16.786 8.337 1.00 0.00 N ATOM 1830 CA VAL B 51 12.590 16.516 7.865 1.00 0.00 C ATOM 1831 C VAL B 51 12.660 15.826 6.500 1.00 0.00 C ATOM 1832 O VAL B 51 12.957 16.456 5.487 1.00 0.00 O ATOM 1833 CB VAL B 51 11.777 17.823 7.779 1.00 0.00 C ATOM 1834 CG1 VAL B 51 10.353 17.594 7.249 1.00 0.00 C ATOM 1835 CG2 VAL B 51 11.662 18.539 9.133 1.00 0.00 C ATOM 0 H VAL B 51 14.553 17.142 7.591 1.00 0.00 H new ATOM 0 HA VAL B 51 12.084 15.859 8.573 1.00 0.00 H new ATOM 0 HB VAL B 51 12.335 18.448 7.082 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.823 18.545 7.208 1.00 0.00 H new ATOM 0 HG12 VAL B 51 10.402 17.162 6.249 1.00 0.00 H new ATOM 0 HG13 VAL B 51 9.823 16.912 7.913 1.00 0.00 H new ATOM 0 HG21 VAL B 51 11.080 19.453 9.013 1.00 0.00 H new ATOM 0 HG22 VAL B 51 11.167 17.884 9.850 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.658 18.789 9.498 1.00 0.00 H new ATOM 1845 N ASP B 52 12.372 14.526 6.472 1.00 0.00 N ATOM 1846 CA ASP B 52 12.259 13.703 5.264 1.00 0.00 C ATOM 1847 C ASP B 52 10.775 13.500 4.905 1.00 0.00 C ATOM 1848 O ASP B 52 10.195 12.440 5.163 1.00 0.00 O ATOM 1849 CB ASP B 52 13.008 12.365 5.442 1.00 0.00 C ATOM 1850 CG ASP B 52 14.519 12.500 5.696 1.00 0.00 C ATOM 1851 OD1 ASP B 52 15.167 13.443 5.180 1.00 0.00 O ATOM 1852 OD2 ASP B 52 15.087 11.618 6.383 1.00 0.00 O1- ATOM 0 H ASP B 52 12.204 13.993 7.325 1.00 0.00 H new ATOM 0 HA ASP B 52 12.733 14.220 4.429 1.00 0.00 H new ATOM 0 HB2 ASP B 52 12.561 11.823 6.275 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.857 11.759 4.549 1.00 0.00 H new ATOM 1857 N LEU B 53 10.148 14.518 4.307 1.00 0.00 N ATOM 1858 CA LEU B 53 8.741 14.481 3.862 1.00 0.00 C ATOM 1859 C LEU B 53 8.489 13.337 2.859 1.00 0.00 C ATOM 1860 O LEU B 53 7.420 12.721 2.878 1.00 0.00 O ATOM 1861 CB LEU B 53 8.382 15.851 3.233 1.00 0.00 C ATOM 1862 CG LEU B 53 7.078 16.500 3.735 1.00 0.00 C ATOM 1863 CD1 LEU B 53 5.849 15.603 3.565 1.00 0.00 C ATOM 1864 CD2 LEU B 53 7.163 16.924 5.200 1.00 0.00 C ATOM 0 H LEU B 53 10.607 15.408 4.113 1.00 0.00 H new ATOM 0 HA LEU B 53 8.103 14.290 4.725 1.00 0.00 H new ATOM 0 HB2 LEU B 53 9.204 16.542 3.420 1.00 0.00 H new ATOM 0 HB3 LEU B 53 8.310 15.726 2.153 1.00 0.00 H new ATOM 0 HG LEU B 53 6.958 17.381 3.104 1.00 0.00 H new ATOM 0 HD11 LEU B 53 4.966 16.121 3.939 1.00 0.00 H new ATOM 0 HD12 LEU B 53 5.713 15.369 2.509 1.00 0.00 H new ATOM 0 HD13 LEU B 53 5.992 14.680 4.126 1.00 0.00 H new ATOM 0 HD21 LEU B 53 6.218 17.375 5.504 1.00 0.00 H new ATOM 0 HD22 LEU B 53 7.364 16.051 5.820 1.00 0.00 H new ATOM 0 HD23 LEU B 53 7.968 17.649 5.323 1.00 0.00 H new ATOM 1876 N ARG B 54 9.501 12.996 2.050 1.00 0.00 N ATOM 1877 CA ARG B 54 9.521 11.850 1.124 1.00 0.00 C ATOM 1878 C ARG B 54 9.172 10.526 1.817 1.00 0.00 C ATOM 1879 O ARG B 54 8.423 9.718 1.267 1.00 0.00 O ATOM 1880 CB ARG B 54 10.933 11.755 0.515 1.00 0.00 C ATOM 1881 CG ARG B 54 10.995 10.879 -0.745 1.00 0.00 C ATOM 1882 CD ARG B 54 12.428 10.468 -1.118 1.00 0.00 C ATOM 1883 NE ARG B 54 13.313 11.629 -1.383 1.00 0.00 N ATOM 1884 CZ ARG B 54 13.971 11.912 -2.497 1.00 0.00 C ATOM 1885 NH1 ARG B 54 13.847 11.232 -3.602 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 14.782 12.920 -2.522 1.00 0.00 N ATOM 0 H ARG B 54 10.367 13.534 2.020 1.00 0.00 H new ATOM 0 HA ARG B 54 8.764 12.014 0.357 1.00 0.00 H new ATOM 0 HB2 ARG B 54 11.283 12.758 0.269 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.617 11.353 1.262 1.00 0.00 H new ATOM 0 HG2 ARG B 54 10.395 9.983 -0.588 1.00 0.00 H new ATOM 0 HG3 ARG B 54 10.549 11.420 -1.580 1.00 0.00 H new ATOM 0 HD2 ARG B 54 12.851 9.872 -0.309 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.399 9.831 -2.002 1.00 0.00 H new ATOM 0 HE ARG B 54 13.429 12.289 -0.614 1.00 0.00 H new ATOM 0 HH11 ARG B 54 13.215 10.432 -3.640 1.00 0.00 H new ATOM 0 HH12 ARG B 54 14.382 11.500 -4.428 1.00 0.00 H new ATOM 0 HH21 ARG B 54 14.911 13.491 -1.687 1.00 0.00 H new ATOM 0 HH22 ARG B 54 15.292 13.143 -3.377 1.00 0.00 H new ATOM 1900 N SER B 55 9.731 10.313 3.011 1.00 0.00 N ATOM 1901 CA SER B 55 9.605 9.085 3.807 1.00 0.00 C ATOM 1902 C SER B 55 8.546 9.186 4.920 1.00 0.00 C ATOM 1903 O SER B 55 8.008 8.173 5.369 1.00 0.00 O ATOM 1904 CB SER B 55 10.988 8.766 4.394 1.00 0.00 C ATOM 1905 OG SER B 55 11.019 7.510 5.061 1.00 0.00 O ATOM 0 H SER B 55 10.307 11.018 3.470 1.00 0.00 H new ATOM 0 HA SER B 55 9.260 8.282 3.156 1.00 0.00 H new ATOM 0 HB2 SER B 55 11.728 8.767 3.594 1.00 0.00 H new ATOM 0 HB3 SER B 55 11.273 9.552 5.093 1.00 0.00 H new ATOM 0 HG SER B 55 11.918 7.350 5.416 1.00 0.00 H new ATOM 1911 N GLY B 56 8.229 10.409 5.368 1.00 0.00 N ATOM 1912 CA GLY B 56 7.406 10.675 6.551 1.00 0.00 C ATOM 1913 C GLY B 56 8.180 10.502 7.869 1.00 0.00 C ATOM 1914 O GLY B 56 7.658 9.898 8.807 1.00 0.00 O ATOM 0 H GLY B 56 8.547 11.260 4.905 1.00 0.00 H new ATOM 0 HA2 GLY B 56 7.016 11.691 6.495 1.00 0.00 H new ATOM 0 HA3 GLY B 56 6.547 10.003 6.549 1.00 0.00 H new ATOM 1918 N VAL B 57 9.421 10.995 7.948 1.00 0.00 N ATOM 1919 CA VAL B 57 10.301 10.873 9.134 1.00 0.00 C ATOM 1920 C VAL B 57 10.899 12.233 9.520 1.00 0.00 C ATOM 1921 O VAL B 57 11.360 12.985 8.660 1.00 0.00 O ATOM 1922 CB VAL B 57 11.409 9.816 8.922 1.00 0.00 C ATOM 1923 CG1 VAL B 57 12.276 9.626 10.175 1.00 0.00 C ATOM 1924 CG2 VAL B 57 10.820 8.440 8.570 1.00 0.00 C ATOM 0 H VAL B 57 9.858 11.502 7.178 1.00 0.00 H new ATOM 0 HA VAL B 57 9.682 10.529 9.963 1.00 0.00 H new ATOM 0 HB VAL B 57 12.016 10.196 8.100 1.00 0.00 H new ATOM 0 HG11 VAL B 57 13.040 8.874 9.978 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.754 10.571 10.433 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.650 9.298 11.005 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.629 7.723 8.428 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.174 8.103 9.381 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.239 8.517 7.651 1.00 0.00 H new ATOM 1934 N ILE B 58 10.920 12.541 10.818 1.00 0.00 N ATOM 1935 CA ILE B 58 11.431 13.792 11.398 1.00 0.00 C ATOM 1936 C ILE B 58 12.387 13.464 12.551 1.00 0.00 C ATOM 1937 O ILE B 58 12.053 12.654 13.417 1.00 0.00 O ATOM 1938 CB ILE B 58 10.266 14.707 11.844 1.00 0.00 C ATOM 1939 CG1 ILE B 58 9.413 15.140 10.627 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.772 15.944 12.612 1.00 0.00 C ATOM 1941 CD1 ILE B 58 8.108 15.861 10.993 1.00 0.00 C ATOM 0 H ILE B 58 10.567 11.899 11.528 1.00 0.00 H new ATOM 0 HA ILE B 58 11.989 14.345 10.643 1.00 0.00 H new ATOM 0 HB ILE B 58 9.641 14.128 12.524 1.00 0.00 H new ATOM 0 HG12 ILE B 58 10.011 15.796 9.994 1.00 0.00 H new ATOM 0 HG13 ILE B 58 9.173 14.257 10.034 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.923 16.561 12.908 1.00 0.00 H new ATOM 0 HG22 ILE B 58 11.315 15.623 13.501 1.00 0.00 H new ATOM 0 HG23 ILE B 58 11.436 16.524 11.971 1.00 0.00 H new ATOM 0 HD11 ILE B 58 7.573 16.129 10.082 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.486 15.202 11.599 1.00 0.00 H new ATOM 0 HD13 ILE B 58 8.338 16.764 11.558 1.00 0.00 H new ATOM 1953 N SER B 59 13.552 14.117 12.595 1.00 0.00 N ATOM 1954 CA SER B 59 14.587 13.907 13.620 1.00 0.00 C ATOM 1955 C SER B 59 14.895 15.188 14.390 1.00 0.00 C ATOM 1956 O SER B 59 15.198 16.229 13.791 1.00 0.00 O ATOM 1957 CB SER B 59 15.882 13.346 13.017 1.00 0.00 C ATOM 1958 OG SER B 59 15.640 12.148 12.297 1.00 0.00 O ATOM 0 H SER B 59 13.811 14.823 11.905 1.00 0.00 H new ATOM 0 HA SER B 59 14.180 13.173 14.316 1.00 0.00 H new ATOM 0 HB2 SER B 59 16.328 14.087 12.354 1.00 0.00 H new ATOM 0 HB3 SER B 59 16.603 13.155 13.812 1.00 0.00 H new ATOM 0 HG SER B 59 16.483 11.815 11.923 1.00 0.00 H new ATOM 1964 N LEU B 60 14.833 15.108 15.722 1.00 0.00 N ATOM 1965 CA LEU B 60 15.157 16.210 16.634 1.00 0.00 C ATOM 1966 C LEU B 60 16.616 16.165 17.111 1.00 0.00 C ATOM 1967 O LEU B 60 17.226 15.093 17.197 1.00 0.00 O ATOM 1968 CB LEU B 60 14.177 16.237 17.822 1.00 0.00 C ATOM 1969 CG LEU B 60 12.680 16.185 17.457 1.00 0.00 C ATOM 1970 CD1 LEU B 60 11.848 16.388 18.722 1.00 0.00 C ATOM 1971 CD2 LEU B 60 12.266 17.252 16.445 1.00 0.00 C ATOM 0 H LEU B 60 14.550 14.257 16.208 1.00 0.00 H new ATOM 0 HA LEU B 60 15.044 17.138 16.074 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.402 15.393 18.474 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.360 17.143 18.399 1.00 0.00 H new ATOM 0 HG LEU B 60 12.505 15.210 17.003 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.788 16.352 18.470 1.00 0.00 H new ATOM 0 HD12 LEU B 60 12.077 15.600 19.439 1.00 0.00 H new ATOM 0 HD13 LEU B 60 12.084 17.357 19.161 1.00 0.00 H new ATOM 0 HD21 LEU B 60 11.201 17.159 16.233 1.00 0.00 H new ATOM 0 HD22 LEU B 60 12.469 18.241 16.856 1.00 0.00 H new ATOM 0 HD23 LEU B 60 12.833 17.119 15.523 1.00 0.00 H new ATOM 1983 N ILE B 61 17.159 17.332 17.459 1.00 0.00 N ATOM 1984 CA ILE B 61 18.534 17.539 17.955 1.00 0.00 C ATOM 1985 C ILE B 61 18.547 18.390 19.230 1.00 0.00 C ATOM 1986 O ILE B 61 17.591 19.104 19.528 1.00 0.00 O ATOM 1987 CB ILE B 61 19.443 18.153 16.860 1.00 0.00 C ATOM 1988 CG1 ILE B 61 19.024 19.581 16.427 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.527 17.220 15.641 1.00 0.00 C ATOM 1990 CD1 ILE B 61 19.819 20.695 17.108 1.00 0.00 C ATOM 0 H ILE B 61 16.633 18.204 17.403 1.00 0.00 H new ATOM 0 HA ILE B 61 18.940 16.560 18.209 1.00 0.00 H new ATOM 0 HB ILE B 61 20.431 18.254 17.310 1.00 0.00 H new ATOM 0 HG12 ILE B 61 19.143 19.672 15.347 1.00 0.00 H new ATOM 0 HG13 ILE B 61 17.965 19.719 16.644 1.00 0.00 H new ATOM 0 HG21 ILE B 61 20.170 17.668 14.883 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.942 16.259 15.946 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.529 17.070 15.228 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.467 21.663 16.752 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.681 20.633 18.187 1.00 0.00 H new ATOM 0 HD13 ILE B 61 20.877 20.584 16.870 1.00 0.00 H new ATOM 2002 N GLU B 62 19.639 18.312 19.990 1.00 0.00 N ATOM 2003 CA GLU B 62 19.831 19.060 21.239 1.00 0.00 C ATOM 2004 C GLU B 62 20.199 20.534 20.974 1.00 0.00 C ATOM 2005 O GLU B 62 21.216 20.835 20.342 1.00 0.00 O ATOM 2006 CB GLU B 62 20.896 18.380 22.117 1.00 0.00 C ATOM 2007 CG GLU B 62 20.455 16.986 22.598 1.00 0.00 C ATOM 2008 CD GLU B 62 21.214 16.566 23.867 1.00 0.00 C ATOM 2009 OE1 GLU B 62 22.211 15.807 23.771 1.00 0.00 O ATOM 2010 OE2 GLU B 62 20.816 16.994 24.980 1.00 0.00 O1- ATOM 0 H GLU B 62 20.432 17.716 19.753 1.00 0.00 H new ATOM 0 HA GLU B 62 18.882 19.055 21.775 1.00 0.00 H new ATOM 0 HB2 GLU B 62 21.825 18.290 21.553 1.00 0.00 H new ATOM 0 HB3 GLU B 62 21.107 19.010 22.981 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.383 16.990 22.797 1.00 0.00 H new ATOM 0 HG3 GLU B 62 20.629 16.255 21.809 1.00 0.00 H new ATOM 2017 N GLU B 63 19.367 21.451 21.467 1.00 0.00 N ATOM 2018 CA GLU B 63 19.493 22.909 21.338 1.00 0.00 C ATOM 2019 C GLU B 63 20.208 23.537 22.562 1.00 0.00 C ATOM 2020 O GLU B 63 19.976 23.113 23.696 1.00 0.00 O ATOM 2021 CB GLU B 63 18.076 23.464 21.118 1.00 0.00 C ATOM 2022 CG GLU B 63 17.937 24.989 21.068 1.00 0.00 C ATOM 2023 CD GLU B 63 18.903 25.671 20.087 1.00 0.00 C ATOM 2024 OE1 GLU B 63 18.999 25.252 18.913 1.00 0.00 O ATOM 2025 OE2 GLU B 63 19.600 26.623 20.512 1.00 0.00 O1- ATOM 0 H GLU B 63 18.538 21.184 21.998 1.00 0.00 H new ATOM 0 HA GLU B 63 20.125 23.171 20.489 1.00 0.00 H new ATOM 0 HB2 GLU B 63 17.692 23.056 20.183 1.00 0.00 H new ATOM 0 HB3 GLU B 63 17.436 23.089 21.917 1.00 0.00 H new ATOM 0 HG2 GLU B 63 16.914 25.242 20.790 1.00 0.00 H new ATOM 0 HG3 GLU B 63 18.105 25.392 22.067 1.00 0.00 H new ATOM 2032 N GLN B 64 21.049 24.563 22.348 1.00 0.00 N ATOM 2033 CA GLN B 64 21.894 25.198 23.378 1.00 0.00 C ATOM 2034 C GLN B 64 21.272 26.435 24.063 1.00 0.00 C ATOM 2035 O GLN B 64 21.908 27.064 24.914 1.00 0.00 O ATOM 2036 CB GLN B 64 23.303 25.511 22.816 1.00 0.00 C ATOM 2037 CG GLN B 64 24.126 24.268 22.415 1.00 0.00 C ATOM 2038 CD GLN B 64 23.611 23.539 21.179 1.00 0.00 C ATOM 2039 OE1 GLN B 64 23.145 24.136 20.215 1.00 0.00 O ATOM 2040 NE2 GLN B 64 23.666 22.223 21.163 1.00 0.00 N ATOM 0 H GLN B 64 21.164 24.987 21.427 1.00 0.00 H new ATOM 0 HA GLN B 64 21.979 24.459 24.175 1.00 0.00 H new ATOM 0 HB2 GLN B 64 23.197 26.157 21.944 1.00 0.00 H new ATOM 0 HB3 GLN B 64 23.861 26.074 23.564 1.00 0.00 H new ATOM 0 HG2 GLN B 64 25.157 24.573 22.238 1.00 0.00 H new ATOM 0 HG3 GLN B 64 24.139 23.571 23.253 1.00 0.00 H new ATOM 0 HE21 GLN B 64 24.052 21.719 21.961 1.00 0.00 H new ATOM 0 HE22 GLN B 64 23.322 21.708 20.352 1.00 0.00 H new ATOM 2049 N ASN B 65 20.022 26.783 23.746 1.00 0.00 N ATOM 2050 CA ASN B 65 19.256 27.877 24.364 1.00 0.00 C ATOM 2051 C ASN B 65 18.756 27.576 25.811 1.00 0.00 C ATOM 2052 O ASN B 65 18.029 28.383 26.398 1.00 0.00 O ATOM 2053 CB ASN B 65 18.118 28.281 23.402 1.00 0.00 C ATOM 2054 CG ASN B 65 18.518 29.465 22.541 1.00 0.00 C ATOM 2055 OD1 ASN B 65 18.344 30.617 22.917 1.00 0.00 O ATOM 2056 ND2 ASN B 65 19.092 29.244 21.380 1.00 0.00 N ATOM 0 H ASN B 65 19.492 26.294 23.025 1.00 0.00 H new ATOM 0 HA ASN B 65 19.929 28.722 24.509 1.00 0.00 H new ATOM 0 HB2 ASN B 65 17.861 27.435 22.764 1.00 0.00 H new ATOM 0 HB3 ASN B 65 17.225 28.531 23.976 1.00 0.00 H new ATOM 0 HD21 ASN B 65 19.389 30.029 20.800 1.00 0.00 H new ATOM 0 HD22 ASN B 65 19.241 28.287 21.059 1.00 0.00 H new ATOM 2063 N ARG B 66 19.156 26.430 26.387 1.00 0.00 N ATOM 2064 CA ARG B 66 18.817 25.947 27.744 1.00 0.00 C ATOM 2065 C ARG B 66 19.241 26.924 28.857 1.00 0.00 C ATOM 2066 O ARG B 66 20.389 27.432 28.819 1.00 0.00 O ATOM 2067 CB ARG B 66 19.463 24.566 27.970 1.00 0.00 C ATOM 2068 CG ARG B 66 18.923 23.483 27.021 1.00 0.00 C ATOM 2069 CD ARG B 66 19.737 22.186 27.118 1.00 0.00 C ATOM 2070 NE ARG B 66 19.329 21.237 26.068 1.00 0.00 N ATOM 2071 CZ ARG B 66 19.689 19.977 25.948 1.00 0.00 C ATOM 2072 NH1 ARG B 66 20.529 19.378 26.736 1.00 0.00 N1+ ATOM 2073 NH2 ARG B 66 19.205 19.253 24.992 1.00 0.00 N ATOM 2074 OXT ARG B 66 18.426 27.167 29.778 1.00 0.00 O1- ATOM 0 H ARG B 66 19.761 25.774 25.892 1.00 0.00 H new ATOM 0 HA ARG B 66 17.731 25.871 27.800 1.00 0.00 H new ATOM 0 HB2 ARG B 66 20.542 24.651 27.838 1.00 0.00 H new ATOM 0 HB3 ARG B 66 19.291 24.256 29.001 1.00 0.00 H new ATOM 0 HG2 ARG B 66 17.880 23.277 27.260 1.00 0.00 H new ATOM 0 HG3 ARG B 66 18.948 23.852 25.996 1.00 0.00 H new ATOM 0 HD2 ARG B 66 20.799 22.409 27.021 1.00 0.00 H new ATOM 0 HD3 ARG B 66 19.595 21.734 28.099 1.00 0.00 H new ATOM 0 HE ARG B 66 18.696 21.597 25.354 1.00 0.00 H new ATOM 0 HH11 ARG B 66 20.956 19.889 27.509 1.00 0.00 H new ATOM 0 HH12 ARG B 66 20.762 18.397 26.582 1.00 0.00 H new ATOM 0 HH21 ARG B 66 18.543 19.659 24.330 1.00 0.00 H new ATOM 0 HH22 ARG B 66 19.485 18.276 24.900 1.00 0.00 H new TER 2088 ARG B 66