USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 772 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 24 MET CE :methyl 139:sc= -2.59! (180deg=-2.54!) USER MOD Set 1.2: A 85 CYS SG : rot 68:sc= -2.34! USER MOD Set 2.1: A 49 HIS : no HD1:sc= -19.7! C(o=-23!,f=-32!) USER MOD Set 2.2: A 51 TYR OH : rot 156:sc= -3.19! USER MOD Set 3.1: A 48 CYS SG : rot -159:sc= -6.25! USER MOD Set 3.2: A 86 CYS SG : rot 180:sc= 0.0161 USER MOD Set 4.1: A 39 CYS SG : rot 117:sc= -0.41! USER MOD Set 4.2: A 45 CYS SG : rot -40:sc= -6.87! USER MOD Set 5.1: A 5 TYR OH : rot -76:sc= 0.271 USER MOD Set 5.2: A 30 ASN : amide:sc= -18! C(o=-18!,f=-26!) USER MOD Single : A 1 SER N :NH3+ -124:sc= 0.734 (180deg=0.00426) USER MOD Single : A 1 SER OG : rot 180:sc= 0.278 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -21! C(o=-21!,f=-21!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -3.59! C(o=-3.6!,f=-12!) USER MOD Single : A 22 SER OG : rot 59:sc= 0.51 USER MOD Single : A 25 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.54) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -46:sc= 0.612 USER MOD Single : A 53 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.027) USER MOD Single : A 57 THR OG1 : rot -90:sc= 1.18 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.887 X(o=-0.89,f=-0.84) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 106:sc= -4.46! USER MOD Single : A 79 LYS NZ :NH3+ -116:sc= -0.907 (180deg=-2.03) USER MOD Single : A 81 ASN :FLIP amide:sc= -1.83 F(o=-6.2!,f=-1.8) USER MOD Single : A 82 SER OG : rot -135:sc= -0.483! USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 90 MET CE :methyl -111:sc= -15.4! (180deg=-23.9!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.273 18.152 15.461 1.00 0.00 N ATOM 2 CA SER A 1 14.857 18.307 15.024 1.00 0.00 C ATOM 3 C SER A 1 14.605 19.760 14.618 1.00 0.00 C ATOM 4 O SER A 1 15.421 20.630 14.850 1.00 0.00 O ATOM 5 CB SER A 1 13.924 17.930 16.175 1.00 0.00 C ATOM 6 OG SER A 1 14.681 17.806 17.372 1.00 0.00 O ATOM 0 H1 SER A 1 16.731 17.408 14.897 1.00 0.00 H new ATOM 0 H2 SER A 1 16.779 19.051 15.325 1.00 0.00 H new ATOM 0 H3 SER A 1 16.299 17.889 16.467 1.00 0.00 H new ATOM 0 HA SER A 1 14.666 17.654 14.173 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.152 18.690 16.296 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.416 16.992 15.954 1.00 0.00 H new ATOM 0 HG SER A 1 14.085 17.566 18.112 1.00 0.00 H new ATOM 14 N LYS A 2 13.481 20.031 14.013 1.00 0.00 N ATOM 15 CA LYS A 2 13.178 21.427 13.593 1.00 0.00 C ATOM 16 C LYS A 2 11.713 21.743 13.897 1.00 0.00 C ATOM 17 O LYS A 2 10.936 20.870 14.231 1.00 0.00 O ATOM 18 CB LYS A 2 13.428 21.571 12.091 1.00 0.00 C ATOM 19 CG LYS A 2 14.347 22.767 11.837 1.00 0.00 C ATOM 20 CD LYS A 2 15.488 22.346 10.909 1.00 0.00 C ATOM 21 CE LYS A 2 14.912 21.846 9.583 1.00 0.00 C ATOM 22 NZ LYS A 2 15.398 20.462 9.320 1.00 0.00 N ATOM 0 H LYS A 2 12.759 19.345 13.792 1.00 0.00 H new ATOM 0 HA LYS A 2 13.820 22.119 14.138 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.882 20.661 11.699 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.483 21.708 11.566 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.782 23.584 11.389 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.749 23.137 12.780 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.156 23.189 10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.082 21.561 11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.823 21.859 9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.212 22.509 8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.006 20.122 8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.437 20.463 9.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.090 19.834 10.090 1.00 0.00 H new ATOM 36 N VAL A 3 11.330 22.984 13.788 1.00 0.00 N ATOM 37 CA VAL A 3 9.916 23.355 14.076 1.00 0.00 C ATOM 38 C VAL A 3 9.544 24.600 13.263 1.00 0.00 C ATOM 39 O VAL A 3 10.399 25.339 12.824 1.00 0.00 O ATOM 40 CB VAL A 3 9.775 23.629 15.577 1.00 0.00 C ATOM 41 CG1 VAL A 3 8.519 24.456 15.857 1.00 0.00 C ATOM 42 CG2 VAL A 3 9.675 22.293 16.314 1.00 0.00 C ATOM 0 H VAL A 3 11.935 23.758 13.512 1.00 0.00 H new ATOM 0 HA VAL A 3 9.244 22.544 13.796 1.00 0.00 H new ATOM 0 HB VAL A 3 10.644 24.189 15.921 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.436 24.640 16.928 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.585 25.407 15.329 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.640 23.910 15.514 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.574 22.474 17.384 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.804 21.744 15.955 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.575 21.707 16.129 1.00 0.00 H new ATOM 52 N VAL A 4 8.278 24.828 13.043 1.00 0.00 N ATOM 53 CA VAL A 4 7.863 26.022 12.244 1.00 0.00 C ATOM 54 C VAL A 4 6.416 26.369 12.588 1.00 0.00 C ATOM 55 O VAL A 4 5.532 25.564 12.414 1.00 0.00 O ATOM 56 CB VAL A 4 7.967 25.701 10.745 1.00 0.00 C ATOM 57 CG1 VAL A 4 8.467 26.931 9.987 1.00 0.00 C ATOM 58 CG2 VAL A 4 8.948 24.545 10.521 1.00 0.00 C ATOM 0 H VAL A 4 7.513 24.243 13.380 1.00 0.00 H new ATOM 0 HA VAL A 4 8.514 26.865 12.477 1.00 0.00 H new ATOM 0 HB VAL A 4 6.980 25.417 10.379 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.539 26.699 8.924 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.769 27.756 10.132 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.449 27.216 10.364 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.014 24.325 9.455 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.932 24.825 10.896 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.596 23.661 11.052 1.00 0.00 H new ATOM 68 N TYR A 5 6.153 27.553 13.077 1.00 0.00 N ATOM 69 CA TYR A 5 4.739 27.892 13.425 1.00 0.00 C ATOM 70 C TYR A 5 4.090 28.699 12.308 1.00 0.00 C ATOM 71 O TYR A 5 4.747 29.379 11.549 1.00 0.00 O ATOM 72 CB TYR A 5 4.679 28.728 14.701 1.00 0.00 C ATOM 73 CG TYR A 5 5.436 28.057 15.813 1.00 0.00 C ATOM 74 CD1 TYR A 5 4.918 26.914 16.427 1.00 0.00 C ATOM 75 CD2 TYR A 5 6.646 28.598 16.247 1.00 0.00 C ATOM 76 CE1 TYR A 5 5.613 26.313 17.481 1.00 0.00 C ATOM 77 CE2 TYR A 5 7.342 27.998 17.297 1.00 0.00 C ATOM 78 CZ TYR A 5 6.826 26.856 17.917 1.00 0.00 C ATOM 79 OH TYR A 5 7.513 26.269 18.958 1.00 0.00 O ATOM 0 H TYR A 5 6.840 28.287 13.248 1.00 0.00 H new ATOM 0 HA TYR A 5 4.208 26.951 13.569 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.098 29.717 14.514 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.640 28.873 14.998 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.982 26.495 16.088 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.044 29.481 15.770 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.214 25.430 17.958 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.280 28.416 17.631 1.00 0.00 H new ATOM 0 HH TYR A 5 7.072 26.487 19.805 1.00 0.00 H new ATOM 89 N VAL A 6 2.793 28.645 12.231 1.00 0.00 N ATOM 90 CA VAL A 6 2.068 29.422 11.190 1.00 0.00 C ATOM 91 C VAL A 6 0.934 30.189 11.852 1.00 0.00 C ATOM 92 O VAL A 6 0.273 29.686 12.737 1.00 0.00 O ATOM 93 CB VAL A 6 1.456 28.479 10.154 1.00 0.00 C ATOM 94 CG1 VAL A 6 1.122 29.265 8.883 1.00 0.00 C ATOM 95 CG2 VAL A 6 2.439 27.359 9.824 1.00 0.00 C ATOM 0 H VAL A 6 2.199 28.092 12.849 1.00 0.00 H new ATOM 0 HA VAL A 6 2.770 30.099 10.703 1.00 0.00 H new ATOM 0 HB VAL A 6 0.544 28.042 10.561 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.686 28.593 8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.410 30.055 9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.033 29.707 8.479 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.995 26.692 9.085 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.357 27.787 9.421 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.668 26.797 10.730 1.00 0.00 H new ATOM 105 N SER A 7 0.671 31.383 11.416 1.00 0.00 N ATOM 106 CA SER A 7 -0.457 32.133 12.010 1.00 0.00 C ATOM 107 C SER A 7 -1.729 31.547 11.423 1.00 0.00 C ATOM 108 O SER A 7 -1.734 30.431 10.945 1.00 0.00 O ATOM 109 CB SER A 7 -0.348 33.615 11.651 1.00 0.00 C ATOM 110 OG SER A 7 -0.370 34.390 12.843 1.00 0.00 O ATOM 0 H SER A 7 1.184 31.868 10.680 1.00 0.00 H new ATOM 0 HA SER A 7 -0.453 32.052 13.097 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.574 33.801 11.100 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.173 33.905 11.000 1.00 0.00 H new ATOM 0 HG SER A 7 -0.299 35.341 12.616 1.00 0.00 H new ATOM 116 N HIS A 8 -2.800 32.269 11.441 1.00 0.00 N ATOM 117 CA HIS A 8 -4.048 31.715 10.859 1.00 0.00 C ATOM 118 C HIS A 8 -3.754 31.374 9.389 1.00 0.00 C ATOM 119 O HIS A 8 -3.090 30.401 9.094 1.00 0.00 O ATOM 120 CB HIS A 8 -5.175 32.748 10.960 1.00 0.00 C ATOM 121 CG HIS A 8 -5.493 33.051 12.401 1.00 0.00 C ATOM 122 ND1 HIS A 8 -4.606 32.801 13.437 1.00 0.00 N ATOM 123 CD2 HIS A 8 -6.605 33.599 12.989 1.00 0.00 C ATOM 124 CE1 HIS A 8 -5.196 33.196 14.581 1.00 0.00 C ATOM 125 NE2 HIS A 8 -6.416 33.690 14.363 1.00 0.00 N ATOM 0 H HIS A 8 -2.871 33.210 11.828 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.368 30.823 11.397 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -4.882 33.664 10.447 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.066 32.372 10.457 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.494 33.913 12.463 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.738 33.122 15.556 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -7.069 34.056 15.056 1.00 0.00 H new ATOM 133 N ASP A 9 -4.209 32.170 8.462 1.00 0.00 N ATOM 134 CA ASP A 9 -3.907 31.888 7.031 1.00 0.00 C ATOM 135 C ASP A 9 -2.975 32.984 6.506 1.00 0.00 C ATOM 136 O ASP A 9 -3.401 33.871 5.793 1.00 0.00 O ATOM 137 CB ASP A 9 -5.206 31.885 6.222 1.00 0.00 C ATOM 138 CG ASP A 9 -5.234 30.661 5.305 1.00 0.00 C ATOM 139 OD1 ASP A 9 -4.497 29.727 5.574 1.00 0.00 O ATOM 140 OD2 ASP A 9 -5.992 30.679 4.349 1.00 0.00 O ATOM 0 H ASP A 9 -4.775 33.001 8.632 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.429 30.913 6.935 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.065 31.869 6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.280 32.797 5.630 1.00 0.00 H new ATOM 145 N GLY A 10 -1.712 32.959 6.861 1.00 0.00 N ATOM 146 CA GLY A 10 -0.805 34.039 6.373 1.00 0.00 C ATOM 147 C GLY A 10 0.625 33.524 6.177 1.00 0.00 C ATOM 148 O GLY A 10 0.944 32.918 5.174 1.00 0.00 O ATOM 0 H GLY A 10 -1.279 32.252 7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.183 34.435 5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.802 34.863 7.086 1.00 0.00 H new ATOM 152 N THR A 11 1.496 33.791 7.115 1.00 0.00 N ATOM 153 CA THR A 11 2.911 33.354 6.971 1.00 0.00 C ATOM 154 C THR A 11 3.265 32.321 8.038 1.00 0.00 C ATOM 155 O THR A 11 2.437 31.893 8.818 1.00 0.00 O ATOM 156 CB THR A 11 3.825 34.574 7.121 1.00 0.00 C ATOM 157 OG1 THR A 11 3.159 35.724 6.616 1.00 0.00 O ATOM 158 CG2 THR A 11 5.119 34.349 6.337 1.00 0.00 C ATOM 0 H THR A 11 1.285 34.295 7.976 1.00 0.00 H new ATOM 0 HA THR A 11 3.045 32.900 5.989 1.00 0.00 H new ATOM 0 HB THR A 11 4.064 34.721 8.174 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.740 36.507 6.712 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.767 35.219 6.446 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.629 33.466 6.723 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.885 34.201 5.283 1.00 0.00 H new ATOM 166 N ARG A 12 4.499 31.915 8.055 1.00 0.00 N ATOM 167 CA ARG A 12 4.959 30.895 9.041 1.00 0.00 C ATOM 168 C ARG A 12 6.437 31.146 9.378 1.00 0.00 C ATOM 169 O ARG A 12 7.249 31.368 8.502 1.00 0.00 O ATOM 170 CB ARG A 12 4.792 29.508 8.409 1.00 0.00 C ATOM 171 CG ARG A 12 5.458 28.438 9.276 1.00 0.00 C ATOM 172 CD ARG A 12 5.992 27.322 8.376 1.00 0.00 C ATOM 173 NE ARG A 12 7.066 27.864 7.496 1.00 0.00 N ATOM 174 CZ ARG A 12 7.861 27.051 6.854 1.00 0.00 C ATOM 175 NH1 ARG A 12 7.720 25.759 6.979 1.00 0.00 N ATOM 176 NH2 ARG A 12 8.800 27.532 6.085 1.00 0.00 N ATOM 0 H ARG A 12 5.223 32.250 7.419 1.00 0.00 H new ATOM 0 HA ARG A 12 4.374 30.957 9.959 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.732 29.281 8.292 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.232 29.501 7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.272 28.876 9.854 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.741 28.034 9.990 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.383 26.506 8.984 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.184 26.911 7.771 1.00 0.00 H new ATOM 0 HE ARG A 12 7.180 28.873 7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.987 25.382 7.580 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.343 25.127 6.476 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.912 28.541 5.987 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.422 26.899 5.583 1.00 0.00 H new ATOM 190 N ARG A 13 6.798 31.108 10.638 1.00 0.00 N ATOM 191 CA ARG A 13 8.227 31.340 11.013 1.00 0.00 C ATOM 192 C ARG A 13 8.860 30.003 11.386 1.00 0.00 C ATOM 193 O ARG A 13 8.186 28.998 11.485 1.00 0.00 O ATOM 194 CB ARG A 13 8.316 32.297 12.207 1.00 0.00 C ATOM 195 CG ARG A 13 7.073 33.190 12.254 1.00 0.00 C ATOM 196 CD ARG A 13 7.359 34.420 13.116 1.00 0.00 C ATOM 197 NE ARG A 13 6.153 35.294 13.150 1.00 0.00 N ATOM 198 CZ ARG A 13 6.052 36.239 14.047 1.00 0.00 C ATOM 199 NH1 ARG A 13 7.008 36.422 14.918 1.00 0.00 N ATOM 200 NH2 ARG A 13 4.994 37.001 14.073 1.00 0.00 N ATOM 0 H ARG A 13 6.168 30.927 11.419 1.00 0.00 H new ATOM 0 HA ARG A 13 8.754 31.785 10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.402 31.729 13.133 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.213 32.911 12.126 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.794 33.497 11.246 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.229 32.635 12.663 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.628 34.114 14.127 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.209 34.970 12.713 1.00 0.00 H new ATOM 0 HE ARG A 13 5.404 35.154 12.471 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.836 35.827 14.899 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.927 37.160 15.617 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.246 36.859 13.394 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.914 37.739 14.773 1.00 0.00 H new ATOM 214 N GLN A 14 10.149 29.968 11.581 1.00 0.00 N ATOM 215 CA GLN A 14 10.794 28.672 11.929 1.00 0.00 C ATOM 216 C GLN A 14 11.638 28.799 13.200 1.00 0.00 C ATOM 217 O GLN A 14 11.977 29.879 13.641 1.00 0.00 O ATOM 218 CB GLN A 14 11.688 28.219 10.771 1.00 0.00 C ATOM 219 CG GLN A 14 11.088 28.689 9.444 1.00 0.00 C ATOM 220 CD GLN A 14 11.385 27.656 8.355 1.00 0.00 C ATOM 221 OE1 GLN A 14 10.488 27.002 7.861 1.00 0.00 O ATOM 222 NE2 GLN A 14 12.615 27.481 7.957 1.00 0.00 N ATOM 0 H GLN A 14 10.776 30.769 11.516 1.00 0.00 H new ATOM 0 HA GLN A 14 10.009 27.937 12.108 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.692 28.627 10.892 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.782 27.133 10.775 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.011 28.825 9.547 1.00 0.00 H new ATOM 0 HG3 GLN A 14 11.506 29.656 9.166 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.368 28.030 8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 14 12.824 26.795 7.231 1.00 0.00 H new ATOM 231 N LEU A 15 11.973 27.679 13.784 1.00 0.00 N ATOM 232 CA LEU A 15 12.790 27.672 15.029 1.00 0.00 C ATOM 233 C LEU A 15 13.396 26.288 15.217 1.00 0.00 C ATOM 234 O LEU A 15 13.289 25.424 14.369 1.00 0.00 O ATOM 235 CB LEU A 15 11.895 27.972 16.225 1.00 0.00 C ATOM 236 CG LEU A 15 10.673 27.065 16.167 1.00 0.00 C ATOM 237 CD1 LEU A 15 10.315 26.610 17.583 1.00 0.00 C ATOM 238 CD2 LEU A 15 9.507 27.837 15.549 1.00 0.00 C ATOM 0 H LEU A 15 11.710 26.754 13.444 1.00 0.00 H new ATOM 0 HA LEU A 15 13.575 28.424 14.952 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.441 27.810 17.154 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.589 29.018 16.214 1.00 0.00 H new ATOM 0 HG LEU A 15 10.885 26.188 15.556 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.441 25.960 17.546 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.155 26.064 18.013 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.094 27.481 18.200 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.628 27.194 15.504 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.286 28.712 16.160 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.775 28.156 14.542 1.00 0.00 H new ATOM 250 N ASP A 16 14.022 26.075 16.330 1.00 0.00 N ATOM 251 CA ASP A 16 14.635 24.744 16.600 1.00 0.00 C ATOM 252 C ASP A 16 14.225 24.262 17.996 1.00 0.00 C ATOM 253 O ASP A 16 15.032 24.201 18.902 1.00 0.00 O ATOM 254 CB ASP A 16 16.159 24.860 16.528 1.00 0.00 C ATOM 255 CG ASP A 16 16.777 23.461 16.505 1.00 0.00 C ATOM 256 OD1 ASP A 16 16.107 22.532 16.924 1.00 0.00 O ATOM 257 OD2 ASP A 16 17.910 23.343 16.068 1.00 0.00 O ATOM 0 H ASP A 16 14.140 26.765 17.072 1.00 0.00 H new ATOM 0 HA ASP A 16 14.288 24.029 15.854 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.450 25.413 15.635 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.533 25.420 17.385 1.00 0.00 H new ATOM 262 N VAL A 17 12.977 23.914 18.176 1.00 0.00 N ATOM 263 CA VAL A 17 12.521 23.430 19.513 1.00 0.00 C ATOM 264 C VAL A 17 13.559 22.453 20.072 1.00 0.00 C ATOM 265 O VAL A 17 14.400 21.950 19.354 1.00 0.00 O ATOM 266 CB VAL A 17 11.169 22.727 19.367 1.00 0.00 C ATOM 267 CG1 VAL A 17 10.875 21.904 20.624 1.00 0.00 C ATOM 268 CG2 VAL A 17 10.075 23.781 19.187 1.00 0.00 C ATOM 0 H VAL A 17 12.255 23.944 17.456 1.00 0.00 H new ATOM 0 HA VAL A 17 12.412 24.273 20.195 1.00 0.00 H new ATOM 0 HB VAL A 17 11.195 22.065 18.501 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.912 21.406 20.515 1.00 0.00 H new ATOM 0 HG12 VAL A 17 11.657 21.157 20.761 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.847 22.563 21.492 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.109 23.288 19.082 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.055 24.437 20.057 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.281 24.370 18.293 1.00 0.00 H new ATOM 278 N ALA A 18 13.512 22.184 21.348 1.00 0.00 N ATOM 279 CA ALA A 18 14.502 21.243 21.946 1.00 0.00 C ATOM 280 C ALA A 18 13.830 19.900 22.233 1.00 0.00 C ATOM 281 O ALA A 18 12.631 19.752 22.102 1.00 0.00 O ATOM 282 CB ALA A 18 15.038 21.833 23.252 1.00 0.00 C ATOM 0 H ALA A 18 12.833 22.574 22.001 1.00 0.00 H new ATOM 0 HA ALA A 18 15.324 21.092 21.247 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.762 21.147 23.691 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.521 22.789 23.048 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.213 21.985 23.948 1.00 0.00 H new ATOM 288 N ASP A 19 14.596 18.921 22.631 1.00 0.00 N ATOM 289 CA ASP A 19 14.012 17.593 22.934 1.00 0.00 C ATOM 290 C ASP A 19 13.437 17.617 24.345 1.00 0.00 C ATOM 291 O ASP A 19 14.106 17.957 25.300 1.00 0.00 O ATOM 292 CB ASP A 19 15.091 16.515 22.843 1.00 0.00 C ATOM 293 CG ASP A 19 15.601 16.421 21.404 1.00 0.00 C ATOM 294 OD1 ASP A 19 14.813 16.647 20.501 1.00 0.00 O ATOM 295 OD2 ASP A 19 16.772 16.125 21.230 1.00 0.00 O ATOM 0 H ASP A 19 15.606 18.989 22.759 1.00 0.00 H new ATOM 0 HA ASP A 19 13.225 17.369 22.214 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.914 16.752 23.517 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.687 15.554 23.160 1.00 0.00 H new ATOM 300 N GLY A 20 12.198 17.267 24.473 1.00 0.00 N ATOM 301 CA GLY A 20 11.551 17.272 25.815 1.00 0.00 C ATOM 302 C GLY A 20 10.968 18.660 26.080 1.00 0.00 C ATOM 303 O GLY A 20 10.770 19.059 27.211 1.00 0.00 O ATOM 0 H GLY A 20 11.595 16.974 23.704 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.764 16.519 25.857 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.279 17.016 26.585 1.00 0.00 H new ATOM 307 N VAL A 21 10.694 19.399 25.040 1.00 0.00 N ATOM 308 CA VAL A 21 10.125 20.764 25.217 1.00 0.00 C ATOM 309 C VAL A 21 8.744 20.818 24.568 1.00 0.00 C ATOM 310 O VAL A 21 8.368 19.943 23.819 1.00 0.00 O ATOM 311 CB VAL A 21 11.040 21.787 24.536 1.00 0.00 C ATOM 312 CG1 VAL A 21 10.741 23.188 25.070 1.00 0.00 C ATOM 313 CG2 VAL A 21 12.501 21.434 24.822 1.00 0.00 C ATOM 0 H VAL A 21 10.841 19.114 24.072 1.00 0.00 H new ATOM 0 HA VAL A 21 10.045 20.993 26.280 1.00 0.00 H new ATOM 0 HB VAL A 21 10.862 21.767 23.461 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.395 23.911 24.582 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.701 23.442 24.863 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.913 23.212 26.146 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.153 22.161 24.338 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.675 21.450 25.898 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.717 20.438 24.434 1.00 0.00 H new ATOM 323 N SER A 22 7.991 21.843 24.836 1.00 0.00 N ATOM 324 CA SER A 22 6.643 21.955 24.215 1.00 0.00 C ATOM 325 C SER A 22 6.707 23.024 23.127 1.00 0.00 C ATOM 326 O SER A 22 7.306 24.065 23.311 1.00 0.00 O ATOM 327 CB SER A 22 5.621 22.363 25.277 1.00 0.00 C ATOM 328 OG SER A 22 4.436 22.818 24.637 1.00 0.00 O ATOM 0 H SER A 22 8.249 22.609 25.458 1.00 0.00 H new ATOM 0 HA SER A 22 6.343 20.998 23.787 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.396 21.517 25.926 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.031 23.150 25.910 1.00 0.00 H new ATOM 0 HG SER A 22 4.075 22.104 24.071 1.00 0.00 H new ATOM 334 N LEU A 23 6.108 22.784 21.992 1.00 0.00 N ATOM 335 CA LEU A 23 6.158 23.806 20.909 1.00 0.00 C ATOM 336 C LEU A 23 5.878 25.181 21.516 1.00 0.00 C ATOM 337 O LEU A 23 6.325 26.195 21.018 1.00 0.00 O ATOM 338 CB LEU A 23 5.111 23.485 19.839 1.00 0.00 C ATOM 339 CG LEU A 23 5.755 22.668 18.713 1.00 0.00 C ATOM 340 CD1 LEU A 23 4.758 22.508 17.565 1.00 0.00 C ATOM 341 CD2 LEU A 23 7.006 23.387 18.201 1.00 0.00 C ATOM 0 H LEU A 23 5.591 21.933 21.769 1.00 0.00 H new ATOM 0 HA LEU A 23 7.144 23.802 20.444 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.286 22.926 20.280 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.692 24.408 19.438 1.00 0.00 H new ATOM 0 HG LEU A 23 6.034 21.687 19.096 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.215 21.927 16.764 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.868 21.992 17.925 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.479 23.491 17.186 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.460 22.802 17.401 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.730 24.370 17.820 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.720 23.501 19.017 1.00 0.00 H new ATOM 353 N MET A 24 5.157 25.219 22.604 1.00 0.00 N ATOM 354 CA MET A 24 4.868 26.523 23.260 1.00 0.00 C ATOM 355 C MET A 24 6.131 26.994 23.983 1.00 0.00 C ATOM 356 O MET A 24 6.548 28.128 23.855 1.00 0.00 O ATOM 357 CB MET A 24 3.731 26.351 24.269 1.00 0.00 C ATOM 358 CG MET A 24 3.648 27.591 25.162 1.00 0.00 C ATOM 359 SD MET A 24 1.996 27.699 25.891 1.00 0.00 S ATOM 360 CE MET A 24 1.455 29.183 25.007 1.00 0.00 C ATOM 0 H MET A 24 4.756 24.402 23.066 1.00 0.00 H new ATOM 0 HA MET A 24 4.569 27.258 22.513 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.786 26.203 23.746 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.902 25.463 24.877 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.401 27.537 25.948 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.859 28.487 24.579 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.417 29.063 24.695 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.539 30.049 25.664 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.083 29.332 24.128 1.00 0.00 H new ATOM 370 N GLN A 25 6.752 26.122 24.734 1.00 0.00 N ATOM 371 CA GLN A 25 7.997 26.511 25.454 1.00 0.00 C ATOM 372 C GLN A 25 8.950 27.180 24.464 1.00 0.00 C ATOM 373 O GLN A 25 9.397 28.289 24.671 1.00 0.00 O ATOM 374 CB GLN A 25 8.660 25.265 26.043 1.00 0.00 C ATOM 375 CG GLN A 25 8.681 25.370 27.569 1.00 0.00 C ATOM 376 CD GLN A 25 9.935 24.682 28.112 1.00 0.00 C ATOM 377 OE1 GLN A 25 9.877 23.555 28.563 1.00 0.00 O ATOM 378 NE2 GLN A 25 11.075 25.316 28.086 1.00 0.00 N ATOM 0 H GLN A 25 6.450 25.159 24.879 1.00 0.00 H new ATOM 0 HA GLN A 25 7.757 27.202 26.262 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.116 24.372 25.737 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.676 25.166 25.661 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.668 26.417 27.872 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.788 24.906 27.988 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.124 26.262 27.708 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.917 24.866 28.444 1.00 0.00 H new ATOM 387 N ALA A 26 9.258 26.516 23.382 1.00 0.00 N ATOM 388 CA ALA A 26 10.170 27.122 22.373 1.00 0.00 C ATOM 389 C ALA A 26 9.647 28.509 22.000 1.00 0.00 C ATOM 390 O ALA A 26 10.406 29.421 21.764 1.00 0.00 O ATOM 391 CB ALA A 26 10.208 26.239 21.123 1.00 0.00 C ATOM 0 H ALA A 26 8.917 25.582 23.155 1.00 0.00 H new ATOM 0 HA ALA A 26 11.175 27.205 22.787 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.876 26.683 20.384 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.570 25.246 21.390 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.205 26.159 20.704 1.00 0.00 H new ATOM 397 N ALA A 27 8.354 28.672 21.949 1.00 0.00 N ATOM 398 CA ALA A 27 7.776 30.001 21.590 1.00 0.00 C ATOM 399 C ALA A 27 8.552 31.121 22.296 1.00 0.00 C ATOM 400 O ALA A 27 8.840 32.145 21.714 1.00 0.00 O ATOM 401 CB ALA A 27 6.310 30.042 22.019 1.00 0.00 C ATOM 0 H ALA A 27 7.669 27.941 22.141 1.00 0.00 H new ATOM 0 HA ALA A 27 7.849 30.148 20.512 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.882 31.010 21.760 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.759 29.253 21.507 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.242 29.892 23.097 1.00 0.00 H new ATOM 407 N VAL A 28 8.884 30.937 23.545 1.00 0.00 N ATOM 408 CA VAL A 28 9.635 31.991 24.298 1.00 0.00 C ATOM 409 C VAL A 28 10.700 32.638 23.403 1.00 0.00 C ATOM 410 O VAL A 28 10.796 33.845 23.311 1.00 0.00 O ATOM 411 CB VAL A 28 10.317 31.353 25.509 1.00 0.00 C ATOM 412 CG1 VAL A 28 11.258 32.368 26.159 1.00 0.00 C ATOM 413 CG2 VAL A 28 9.255 30.922 26.523 1.00 0.00 C ATOM 0 H VAL A 28 8.667 30.098 24.082 1.00 0.00 H new ATOM 0 HA VAL A 28 8.933 32.760 24.622 1.00 0.00 H new ATOM 0 HB VAL A 28 10.888 30.482 25.187 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.744 31.913 27.022 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.015 32.677 25.438 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.687 33.239 26.481 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.740 30.467 27.387 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.684 31.793 26.844 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.583 30.198 26.061 1.00 0.00 H new ATOM 423 N SER A 29 11.507 31.844 22.759 1.00 0.00 N ATOM 424 CA SER A 29 12.580 32.404 21.882 1.00 0.00 C ATOM 425 C SER A 29 12.058 32.567 20.457 1.00 0.00 C ATOM 426 O SER A 29 12.264 33.577 19.815 1.00 0.00 O ATOM 427 CB SER A 29 13.741 31.425 21.852 1.00 0.00 C ATOM 428 OG SER A 29 14.878 32.056 21.279 1.00 0.00 O ATOM 0 H SER A 29 11.472 30.825 22.800 1.00 0.00 H new ATOM 0 HA SER A 29 12.894 33.373 22.271 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.971 31.086 22.862 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.471 30.542 21.273 1.00 0.00 H new ATOM 0 HG SER A 29 15.628 31.425 21.261 1.00 0.00 H new ATOM 434 N ASN A 30 11.385 31.568 19.964 1.00 0.00 N ATOM 435 CA ASN A 30 10.837 31.624 18.583 1.00 0.00 C ATOM 436 C ASN A 30 10.062 32.929 18.386 1.00 0.00 C ATOM 437 O ASN A 30 9.794 33.342 17.276 1.00 0.00 O ATOM 438 CB ASN A 30 9.905 30.428 18.374 1.00 0.00 C ATOM 439 CG ASN A 30 10.534 29.171 18.976 1.00 0.00 C ATOM 440 OD1 ASN A 30 9.834 28.295 19.443 1.00 0.00 O ATOM 441 ND2 ASN A 30 11.832 29.047 18.996 1.00 0.00 N ATOM 0 H ASN A 30 11.189 30.703 20.467 1.00 0.00 H new ATOM 0 HA ASN A 30 11.651 31.587 17.859 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.939 30.622 18.841 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.721 30.280 17.310 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.259 28.215 19.404 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.421 29.782 18.604 1.00 0.00 H new ATOM 448 N GLY A 31 9.703 33.583 19.456 1.00 0.00 N ATOM 449 CA GLY A 31 8.948 34.865 19.330 1.00 0.00 C ATOM 450 C GLY A 31 7.445 34.585 19.373 1.00 0.00 C ATOM 451 O GLY A 31 6.651 35.451 19.680 1.00 0.00 O ATOM 0 H GLY A 31 9.899 33.287 20.412 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.225 35.542 20.138 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.209 35.361 18.395 1.00 0.00 H new ATOM 455 N ILE A 32 7.049 33.380 19.073 1.00 0.00 N ATOM 456 CA ILE A 32 5.582 33.054 19.108 1.00 0.00 C ATOM 457 C ILE A 32 5.105 33.134 20.542 1.00 0.00 C ATOM 458 O ILE A 32 3.935 33.315 20.815 1.00 0.00 O ATOM 459 CB ILE A 32 5.273 31.647 18.592 1.00 0.00 C ATOM 460 CG1 ILE A 32 6.551 30.907 18.267 1.00 0.00 C ATOM 461 CG2 ILE A 32 4.398 31.727 17.338 1.00 0.00 C ATOM 462 CD1 ILE A 32 7.145 31.442 16.962 1.00 0.00 C ATOM 0 H ILE A 32 7.663 32.610 18.807 1.00 0.00 H new ATOM 0 HA ILE A 32 5.076 33.770 18.461 1.00 0.00 H new ATOM 0 HB ILE A 32 4.739 31.106 19.373 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.268 31.027 19.079 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.350 29.840 18.175 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.184 30.720 16.979 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.463 32.233 17.578 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.923 32.285 16.563 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.065 30.905 16.734 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.431 31.299 16.151 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.363 32.505 17.070 1.00 0.00 H new ATOM 474 N TYR A 33 6.002 33.007 21.465 1.00 0.00 N ATOM 475 CA TYR A 33 5.593 33.098 22.890 1.00 0.00 C ATOM 476 C TYR A 33 4.714 34.342 23.025 1.00 0.00 C ATOM 477 O TYR A 33 3.829 34.417 23.855 1.00 0.00 O ATOM 478 CB TYR A 33 6.851 33.188 23.780 1.00 0.00 C ATOM 479 CG TYR A 33 6.851 34.452 24.617 1.00 0.00 C ATOM 480 CD1 TYR A 33 7.068 35.693 24.008 1.00 0.00 C ATOM 481 CD2 TYR A 33 6.633 34.377 25.997 1.00 0.00 C ATOM 482 CE1 TYR A 33 7.068 36.861 24.781 1.00 0.00 C ATOM 483 CE2 TYR A 33 6.632 35.544 26.770 1.00 0.00 C ATOM 484 CZ TYR A 33 6.850 36.786 26.162 1.00 0.00 C ATOM 485 OH TYR A 33 6.850 37.937 26.924 1.00 0.00 O ATOM 0 H TYR A 33 6.996 32.845 21.301 1.00 0.00 H new ATOM 0 HA TYR A 33 5.034 32.219 23.210 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.898 32.317 24.434 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.743 33.165 23.154 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.235 35.750 22.943 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.465 33.419 26.466 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.236 37.819 24.312 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.463 35.486 27.835 1.00 0.00 H new ATOM 0 HH TYR A 33 6.683 37.708 27.862 1.00 0.00 H new ATOM 495 N ASP A 34 4.955 35.309 22.185 1.00 0.00 N ATOM 496 CA ASP A 34 4.145 36.551 22.214 1.00 0.00 C ATOM 497 C ASP A 34 3.095 36.482 21.102 1.00 0.00 C ATOM 498 O ASP A 34 2.071 37.133 21.166 1.00 0.00 O ATOM 499 CB ASP A 34 5.053 37.762 21.987 1.00 0.00 C ATOM 500 CG ASP A 34 4.587 38.923 22.867 1.00 0.00 C ATOM 501 OD1 ASP A 34 4.890 38.903 24.049 1.00 0.00 O ATOM 502 OD2 ASP A 34 3.936 39.812 22.345 1.00 0.00 O ATOM 0 H ASP A 34 5.686 35.289 21.474 1.00 0.00 H new ATOM 0 HA ASP A 34 3.654 36.650 23.182 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.086 37.505 22.223 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.030 38.055 20.937 1.00 0.00 H new ATOM 507 N ILE A 35 3.335 35.696 20.080 1.00 0.00 N ATOM 508 CA ILE A 35 2.334 35.601 18.978 1.00 0.00 C ATOM 509 C ILE A 35 1.006 35.086 19.540 1.00 0.00 C ATOM 510 O ILE A 35 -0.038 35.669 19.323 1.00 0.00 O ATOM 511 CB ILE A 35 2.841 34.638 17.901 1.00 0.00 C ATOM 512 CG1 ILE A 35 3.978 35.303 17.121 1.00 0.00 C ATOM 513 CG2 ILE A 35 1.701 34.296 16.941 1.00 0.00 C ATOM 514 CD1 ILE A 35 3.425 36.476 16.311 1.00 0.00 C ATOM 0 H ILE A 35 4.171 35.124 19.964 1.00 0.00 H new ATOM 0 HA ILE A 35 2.186 36.587 18.538 1.00 0.00 H new ATOM 0 HB ILE A 35 3.204 33.725 18.373 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.748 35.653 17.808 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.449 34.579 16.456 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.064 33.610 16.175 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.888 33.825 17.494 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.337 35.208 16.468 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.235 36.949 15.756 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.671 36.113 15.613 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.974 37.204 16.986 1.00 0.00 H new ATOM 526 N VAL A 36 1.036 33.999 20.261 1.00 0.00 N ATOM 527 CA VAL A 36 -0.226 33.450 20.835 1.00 0.00 C ATOM 528 C VAL A 36 -0.002 33.080 22.304 1.00 0.00 C ATOM 529 O VAL A 36 0.842 33.641 22.974 1.00 0.00 O ATOM 530 CB VAL A 36 -0.641 32.202 20.053 1.00 0.00 C ATOM 531 CG1 VAL A 36 -0.687 32.527 18.559 1.00 0.00 C ATOM 532 CG2 VAL A 36 0.375 31.085 20.300 1.00 0.00 C ATOM 0 H VAL A 36 1.879 33.467 20.478 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.013 34.201 20.766 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.627 31.877 20.384 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.983 31.638 18.002 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.410 33.323 18.382 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.299 32.852 18.227 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.080 30.195 19.743 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.361 31.410 19.969 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.408 30.852 21.364 1.00 0.00 H new ATOM 542 N GLY A 37 -0.753 32.139 22.809 1.00 0.00 N ATOM 543 CA GLY A 37 -0.584 31.733 24.234 1.00 0.00 C ATOM 544 C GLY A 37 -1.831 32.128 25.028 1.00 0.00 C ATOM 545 O GLY A 37 -2.507 33.083 24.704 1.00 0.00 O ATOM 0 H GLY A 37 -1.476 31.634 22.297 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.423 30.657 24.300 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.298 32.214 24.658 1.00 0.00 H new ATOM 549 N ASP A 38 -2.143 31.400 26.066 1.00 0.00 N ATOM 550 CA ASP A 38 -3.348 31.738 26.876 1.00 0.00 C ATOM 551 C ASP A 38 -3.149 31.267 28.319 1.00 0.00 C ATOM 552 O ASP A 38 -2.609 31.978 29.144 1.00 0.00 O ATOM 553 CB ASP A 38 -4.575 31.049 26.276 1.00 0.00 C ATOM 554 CG ASP A 38 -5.786 31.284 27.180 1.00 0.00 C ATOM 555 OD1 ASP A 38 -5.918 30.568 28.159 1.00 0.00 O ATOM 556 OD2 ASP A 38 -6.561 32.177 26.879 1.00 0.00 O ATOM 0 H ASP A 38 -1.617 30.588 26.387 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.497 32.818 26.868 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.772 31.439 25.278 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.389 29.980 26.170 1.00 0.00 H new ATOM 561 N CYS A 39 -3.584 30.076 28.635 1.00 0.00 N ATOM 562 CA CYS A 39 -3.420 29.570 30.028 1.00 0.00 C ATOM 563 C CYS A 39 -2.035 28.938 30.185 1.00 0.00 C ATOM 564 O CYS A 39 -1.431 28.997 31.238 1.00 0.00 O ATOM 565 CB CYS A 39 -4.505 28.529 30.327 1.00 0.00 C ATOM 566 SG CYS A 39 -4.136 26.981 29.459 1.00 0.00 S ATOM 0 H CYS A 39 -4.045 29.434 27.990 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.516 30.399 30.729 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.562 28.349 31.401 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.479 28.907 30.015 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.932 26.035 30.327 1.00 0.00 H new ATOM 571 N GLY A 40 -1.527 28.333 29.147 1.00 0.00 N ATOM 572 CA GLY A 40 -0.181 27.697 29.239 1.00 0.00 C ATOM 573 C GLY A 40 -0.174 26.678 30.379 1.00 0.00 C ATOM 574 O GLY A 40 -1.023 26.698 31.248 1.00 0.00 O ATOM 0 H GLY A 40 -1.985 28.251 28.239 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.066 27.207 28.297 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.581 28.457 29.412 1.00 0.00 H new ATOM 578 N GLY A 41 0.779 25.786 30.384 1.00 0.00 N ATOM 579 CA GLY A 41 0.840 24.766 31.469 1.00 0.00 C ATOM 580 C GLY A 41 -0.137 23.631 31.160 1.00 0.00 C ATOM 581 O GLY A 41 0.121 22.787 30.324 1.00 0.00 O ATOM 0 H GLY A 41 1.518 25.720 29.684 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.853 24.374 31.557 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.591 25.223 32.427 1.00 0.00 H new ATOM 585 N SER A 42 -1.258 23.602 31.827 1.00 0.00 N ATOM 586 CA SER A 42 -2.250 22.520 31.571 1.00 0.00 C ATOM 587 C SER A 42 -3.411 23.077 30.745 1.00 0.00 C ATOM 588 O SER A 42 -3.535 24.271 30.557 1.00 0.00 O ATOM 589 CB SER A 42 -2.780 21.989 32.903 1.00 0.00 C ATOM 590 OG SER A 42 -2.047 20.828 33.272 1.00 0.00 O ATOM 0 H SER A 42 -1.530 24.281 32.538 1.00 0.00 H new ATOM 0 HA SER A 42 -1.770 21.710 31.022 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.686 22.753 33.675 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.840 21.751 32.817 1.00 0.00 H new ATOM 0 HG SER A 42 -2.384 20.486 34.127 1.00 0.00 H new ATOM 596 N ALA A 43 -4.263 22.221 30.251 1.00 0.00 N ATOM 597 CA ALA A 43 -5.416 22.702 29.438 1.00 0.00 C ATOM 598 C ALA A 43 -6.354 23.527 30.321 1.00 0.00 C ATOM 599 O ALA A 43 -6.996 23.010 31.214 1.00 0.00 O ATOM 600 CB ALA A 43 -6.175 21.500 28.872 1.00 0.00 C ATOM 0 H ALA A 43 -4.211 21.210 30.375 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.051 23.321 28.619 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.019 21.850 28.277 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.507 20.911 28.243 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.541 20.882 29.692 1.00 0.00 H new ATOM 606 N SER A 44 -6.438 24.807 30.081 1.00 0.00 N ATOM 607 CA SER A 44 -7.334 25.662 30.908 1.00 0.00 C ATOM 608 C SER A 44 -8.024 26.697 30.017 1.00 0.00 C ATOM 609 O SER A 44 -8.643 27.627 30.496 1.00 0.00 O ATOM 610 CB SER A 44 -6.509 26.380 31.977 1.00 0.00 C ATOM 611 OG SER A 44 -6.083 25.437 32.952 1.00 0.00 O ATOM 0 H SER A 44 -5.925 25.297 29.348 1.00 0.00 H new ATOM 0 HA SER A 44 -8.088 25.037 31.387 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.646 26.865 31.522 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.104 27.163 32.447 1.00 0.00 H new ATOM 0 HG SER A 44 -5.552 25.893 33.638 1.00 0.00 H new ATOM 617 N CYS A 45 -7.927 26.546 28.724 1.00 0.00 N ATOM 618 CA CYS A 45 -8.582 27.525 27.811 1.00 0.00 C ATOM 619 C CYS A 45 -8.821 26.874 26.444 1.00 0.00 C ATOM 620 O CYS A 45 -8.882 25.667 26.322 1.00 0.00 O ATOM 621 CB CYS A 45 -7.686 28.764 27.661 1.00 0.00 C ATOM 622 SG CYS A 45 -6.348 28.442 26.479 1.00 0.00 S ATOM 0 H CYS A 45 -7.424 25.789 28.262 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.542 27.830 28.228 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.282 29.612 27.323 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.266 29.036 28.629 1.00 0.00 H new ATOM 0 HG CYS A 45 -5.896 27.236 26.653 1.00 0.00 H new ATOM 627 N ALA A 46 -8.955 27.667 25.414 1.00 0.00 N ATOM 628 CA ALA A 46 -9.188 27.093 24.059 1.00 0.00 C ATOM 629 C ALA A 46 -8.592 28.021 22.996 1.00 0.00 C ATOM 630 O ALA A 46 -8.891 27.908 21.823 1.00 0.00 O ATOM 631 CB ALA A 46 -10.691 26.945 23.820 1.00 0.00 C ATOM 0 H ALA A 46 -8.913 28.685 25.453 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.710 26.116 23.994 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.862 26.525 22.829 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.116 26.282 24.573 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.168 27.923 23.887 1.00 0.00 H new ATOM 637 N THR A 47 -7.752 28.937 23.394 1.00 0.00 N ATOM 638 CA THR A 47 -7.140 29.868 22.404 1.00 0.00 C ATOM 639 C THR A 47 -5.948 29.182 21.732 1.00 0.00 C ATOM 640 O THR A 47 -5.498 29.588 20.679 1.00 0.00 O ATOM 641 CB THR A 47 -6.663 31.133 23.121 1.00 0.00 C ATOM 642 OG1 THR A 47 -7.789 31.880 23.560 1.00 0.00 O ATOM 643 CG2 THR A 47 -5.828 31.982 22.161 1.00 0.00 C ATOM 0 H THR A 47 -7.463 29.081 24.362 1.00 0.00 H new ATOM 0 HA THR A 47 -7.880 30.136 21.649 1.00 0.00 H new ATOM 0 HB THR A 47 -6.053 30.855 23.981 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.445 31.940 22.834 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.489 32.883 22.673 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.964 31.408 21.825 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.435 32.261 21.300 1.00 0.00 H new ATOM 651 N CYS A 48 -5.436 28.143 22.332 1.00 0.00 N ATOM 652 CA CYS A 48 -4.276 27.429 21.729 1.00 0.00 C ATOM 653 C CYS A 48 -4.767 26.377 20.728 1.00 0.00 C ATOM 654 O CYS A 48 -4.272 25.271 20.685 1.00 0.00 O ATOM 655 CB CYS A 48 -3.422 26.791 22.825 1.00 0.00 C ATOM 656 SG CYS A 48 -4.316 25.442 23.627 1.00 0.00 S ATOM 0 H CYS A 48 -5.771 27.757 23.215 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.656 28.146 21.191 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.493 26.414 22.396 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.149 27.544 23.565 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.797 25.212 24.796 1.00 0.00 H new ATOM 661 N HIS A 49 -5.737 26.735 19.917 1.00 0.00 N ATOM 662 CA HIS A 49 -6.277 25.795 18.882 1.00 0.00 C ATOM 663 C HIS A 49 -5.292 25.745 17.712 1.00 0.00 C ATOM 664 O HIS A 49 -5.598 26.195 16.624 1.00 0.00 O ATOM 665 CB HIS A 49 -7.618 26.349 18.369 1.00 0.00 C ATOM 666 CG HIS A 49 -8.229 25.398 17.398 1.00 0.00 C ATOM 667 ND1 HIS A 49 -9.113 24.424 17.794 1.00 0.00 N ATOM 668 CD2 HIS A 49 -8.096 25.258 16.040 1.00 0.00 C ATOM 669 CE1 HIS A 49 -9.465 23.743 16.707 1.00 0.00 C ATOM 670 NE2 HIS A 49 -8.880 24.204 15.608 1.00 0.00 N ATOM 0 H HIS A 49 -6.183 27.652 19.930 1.00 0.00 H new ATOM 0 HA HIS A 49 -6.415 24.801 19.306 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.297 26.512 19.206 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.462 27.317 17.892 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.476 25.875 15.407 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.150 22.908 16.717 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.986 23.857 14.655 1.00 0.00 H new ATOM 678 N VAL A 50 -4.108 25.245 17.905 1.00 0.00 N ATOM 679 CA VAL A 50 -3.154 25.253 16.778 1.00 0.00 C ATOM 680 C VAL A 50 -3.519 24.193 15.772 1.00 0.00 C ATOM 681 O VAL A 50 -3.944 23.104 16.099 1.00 0.00 O ATOM 682 CB VAL A 50 -1.735 25.000 17.253 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.396 25.952 18.401 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.605 23.552 17.724 1.00 0.00 C ATOM 0 H VAL A 50 -3.768 24.840 18.777 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.207 26.240 16.318 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.042 25.175 16.430 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.376 25.766 18.739 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.482 26.983 18.057 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.087 25.786 19.227 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.586 23.370 18.065 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.300 23.373 18.545 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.837 22.879 16.899 1.00 0.00 H new ATOM 694 N TYR A 51 -3.325 24.515 14.546 1.00 0.00 N ATOM 695 CA TYR A 51 -3.620 23.551 13.471 1.00 0.00 C ATOM 696 C TYR A 51 -2.285 23.100 12.886 1.00 0.00 C ATOM 697 O TYR A 51 -1.561 23.857 12.276 1.00 0.00 O ATOM 698 CB TYR A 51 -4.487 24.239 12.438 1.00 0.00 C ATOM 699 CG TYR A 51 -5.916 23.764 12.592 1.00 0.00 C ATOM 700 CD1 TYR A 51 -6.211 22.423 12.354 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.945 24.656 12.948 1.00 0.00 C ATOM 702 CE1 TYR A 51 -7.523 21.955 12.465 1.00 0.00 C ATOM 703 CE2 TYR A 51 -8.265 24.184 13.050 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.552 22.836 12.808 1.00 0.00 C ATOM 705 OH TYR A 51 -9.854 22.380 12.906 1.00 0.00 O ATOM 0 H TYR A 51 -2.969 25.418 14.232 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.161 22.676 13.833 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.435 25.320 12.564 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.123 24.017 11.435 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.420 21.740 12.082 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.722 25.695 13.141 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.742 20.913 12.286 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.061 24.864 13.316 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.365 22.973 13.496 1.00 0.00 H new ATOM 715 N VAL A 52 -1.936 21.880 13.143 1.00 0.00 N ATOM 716 CA VAL A 52 -0.614 21.350 12.699 1.00 0.00 C ATOM 717 C VAL A 52 -0.707 20.566 11.392 1.00 0.00 C ATOM 718 O VAL A 52 -1.774 20.271 10.893 1.00 0.00 O ATOM 719 CB VAL A 52 -0.092 20.429 13.799 1.00 0.00 C ATOM 720 CG1 VAL A 52 1.387 20.116 13.568 1.00 0.00 C ATOM 721 CG2 VAL A 52 -0.270 21.122 15.152 1.00 0.00 C ATOM 0 H VAL A 52 -2.516 21.211 13.650 1.00 0.00 H new ATOM 0 HA VAL A 52 0.055 22.192 12.520 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.651 19.493 13.785 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.748 19.458 14.359 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.508 19.623 12.603 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.961 21.043 13.577 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.100 20.472 15.945 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.290 22.057 15.158 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.327 21.331 15.318 1.00 0.00 H new ATOM 731 N ASN A 53 0.434 20.219 10.848 1.00 0.00 N ATOM 732 CA ASN A 53 0.467 19.441 9.585 1.00 0.00 C ATOM 733 C ASN A 53 -0.137 18.062 9.840 1.00 0.00 C ATOM 734 O ASN A 53 -0.500 17.732 10.951 1.00 0.00 O ATOM 735 CB ASN A 53 1.917 19.284 9.121 1.00 0.00 C ATOM 736 CG ASN A 53 2.056 19.812 7.692 1.00 0.00 C ATOM 737 OD1 ASN A 53 2.560 19.126 6.825 1.00 0.00 O ATOM 738 ND2 ASN A 53 1.627 21.012 7.408 1.00 0.00 N ATOM 0 H ASN A 53 1.350 20.447 11.235 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.104 19.960 8.815 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.584 19.830 9.788 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.212 18.235 9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.715 21.374 6.458 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.204 21.588 8.136 1.00 0.00 H new ATOM 745 N GLU A 54 -0.253 17.254 8.826 1.00 0.00 N ATOM 746 CA GLU A 54 -0.841 15.900 9.023 1.00 0.00 C ATOM 747 C GLU A 54 0.281 14.865 9.147 1.00 0.00 C ATOM 748 O GLU A 54 0.039 13.675 9.171 1.00 0.00 O ATOM 749 CB GLU A 54 -1.724 15.550 7.823 1.00 0.00 C ATOM 750 CG GLU A 54 -0.844 15.284 6.600 1.00 0.00 C ATOM 751 CD GLU A 54 -0.595 13.781 6.466 1.00 0.00 C ATOM 752 OE1 GLU A 54 -1.505 13.085 6.045 1.00 0.00 O ATOM 753 OE2 GLU A 54 0.500 13.351 6.788 1.00 0.00 O ATOM 0 H GLU A 54 0.033 17.471 7.871 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.441 15.895 9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.328 14.671 8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.415 16.367 7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.329 15.664 5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.104 15.813 6.699 1.00 0.00 H new ATOM 760 N ALA A 55 1.507 15.308 9.222 1.00 0.00 N ATOM 761 CA ALA A 55 2.639 14.345 9.338 1.00 0.00 C ATOM 762 C ALA A 55 3.259 14.436 10.735 1.00 0.00 C ATOM 763 O ALA A 55 3.817 13.481 11.238 1.00 0.00 O ATOM 764 CB ALA A 55 3.700 14.679 8.288 1.00 0.00 C ATOM 0 H ALA A 55 1.773 16.293 9.208 1.00 0.00 H new ATOM 0 HA ALA A 55 2.267 13.333 9.176 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.529 13.976 8.371 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.262 14.607 7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.067 15.693 8.451 1.00 0.00 H new ATOM 770 N PHE A 56 3.173 15.576 11.366 1.00 0.00 N ATOM 771 CA PHE A 56 3.766 15.718 12.727 1.00 0.00 C ATOM 772 C PHE A 56 2.675 15.550 13.786 1.00 0.00 C ATOM 773 O PHE A 56 2.954 15.296 14.941 1.00 0.00 O ATOM 774 CB PHE A 56 4.401 17.103 12.865 1.00 0.00 C ATOM 775 CG PHE A 56 5.565 17.220 11.911 1.00 0.00 C ATOM 776 CD1 PHE A 56 5.340 17.564 10.573 1.00 0.00 C ATOM 777 CD2 PHE A 56 6.870 16.985 12.363 1.00 0.00 C ATOM 778 CE1 PHE A 56 6.418 17.674 9.687 1.00 0.00 C ATOM 779 CE2 PHE A 56 7.948 17.095 11.476 1.00 0.00 C ATOM 780 CZ PHE A 56 7.721 17.440 10.138 1.00 0.00 C ATOM 0 H PHE A 56 2.719 16.413 10.999 1.00 0.00 H new ATOM 0 HA PHE A 56 4.528 14.951 12.869 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.663 17.876 12.652 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.739 17.259 13.889 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.334 17.745 10.224 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.045 16.719 13.395 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.244 17.940 8.655 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.954 16.914 11.824 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.552 17.525 9.454 1.00 0.00 H new ATOM 790 N THR A 57 1.435 15.691 13.406 1.00 0.00 N ATOM 791 CA THR A 57 0.334 15.540 14.398 1.00 0.00 C ATOM 792 C THR A 57 0.339 14.116 14.958 1.00 0.00 C ATOM 793 O THR A 57 0.106 13.899 16.131 1.00 0.00 O ATOM 794 CB THR A 57 -1.011 15.807 13.717 1.00 0.00 C ATOM 795 OG1 THR A 57 -0.925 15.455 12.344 1.00 0.00 O ATOM 796 CG2 THR A 57 -1.361 17.289 13.847 1.00 0.00 C ATOM 0 H THR A 57 1.137 15.904 12.454 1.00 0.00 H new ATOM 0 HA THR A 57 0.482 16.253 15.209 1.00 0.00 H new ATOM 0 HB THR A 57 -1.787 15.209 14.195 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.631 16.232 11.825 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.318 17.481 13.363 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.428 17.556 14.902 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.586 17.889 13.370 1.00 0.00 H new ATOM 804 N ASP A 58 0.597 13.143 14.128 1.00 0.00 N ATOM 805 CA ASP A 58 0.610 11.732 14.610 1.00 0.00 C ATOM 806 C ASP A 58 1.757 11.535 15.605 1.00 0.00 C ATOM 807 O ASP A 58 1.607 10.872 16.612 1.00 0.00 O ATOM 808 CB ASP A 58 0.800 10.789 13.421 1.00 0.00 C ATOM 809 CG ASP A 58 -0.543 10.159 13.048 1.00 0.00 C ATOM 810 OD1 ASP A 58 -1.329 9.913 13.948 1.00 0.00 O ATOM 811 OD2 ASP A 58 -0.763 9.934 11.870 1.00 0.00 O ATOM 0 H ASP A 58 0.800 13.264 13.136 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.337 11.512 15.104 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.205 11.337 12.570 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.521 10.011 13.672 1.00 0.00 H new ATOM 816 N LYS A 59 2.900 12.100 15.331 1.00 0.00 N ATOM 817 CA LYS A 59 4.050 11.937 16.264 1.00 0.00 C ATOM 818 C LYS A 59 3.634 12.370 17.671 1.00 0.00 C ATOM 819 O LYS A 59 3.953 11.724 18.649 1.00 0.00 O ATOM 820 CB LYS A 59 5.218 12.799 15.786 1.00 0.00 C ATOM 821 CG LYS A 59 6.328 11.896 15.244 1.00 0.00 C ATOM 822 CD LYS A 59 6.521 12.165 13.750 1.00 0.00 C ATOM 823 CE LYS A 59 8.006 12.057 13.400 1.00 0.00 C ATOM 824 NZ LYS A 59 8.180 11.108 12.263 1.00 0.00 N ATOM 0 H LYS A 59 3.087 12.666 14.504 1.00 0.00 H new ATOM 0 HA LYS A 59 4.356 10.891 16.285 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.883 13.487 15.010 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.597 13.406 16.608 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.258 12.083 15.781 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.071 10.849 15.406 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.945 11.449 13.163 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.148 13.158 13.497 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.400 13.038 13.133 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.571 11.712 14.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.189 11.034 12.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.819 10.171 12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.653 11.456 11.437 1.00 0.00 H new ATOM 838 N VAL A 60 2.922 13.457 17.781 1.00 0.00 N ATOM 839 CA VAL A 60 2.484 13.926 19.126 1.00 0.00 C ATOM 840 C VAL A 60 1.568 12.868 19.752 1.00 0.00 C ATOM 841 O VAL A 60 0.782 12.250 19.062 1.00 0.00 O ATOM 842 CB VAL A 60 1.723 15.247 18.977 1.00 0.00 C ATOM 843 CG1 VAL A 60 1.079 15.631 20.311 1.00 0.00 C ATOM 844 CG2 VAL A 60 2.698 16.346 18.548 1.00 0.00 C ATOM 0 H VAL A 60 2.625 14.040 16.999 1.00 0.00 H new ATOM 0 HA VAL A 60 3.352 14.080 19.767 1.00 0.00 H new ATOM 0 HB VAL A 60 0.944 15.130 18.224 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.540 16.571 20.197 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.384 14.849 20.618 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.854 15.746 21.069 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.160 17.288 18.441 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.477 16.457 19.303 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.153 16.077 17.594 1.00 0.00 H new ATOM 854 N PRO A 61 1.698 12.685 21.043 1.00 0.00 N ATOM 855 CA PRO A 61 0.888 11.698 21.779 1.00 0.00 C ATOM 856 C PRO A 61 -0.605 11.970 21.573 1.00 0.00 C ATOM 857 O PRO A 61 -0.996 12.997 21.055 1.00 0.00 O ATOM 858 CB PRO A 61 1.281 11.885 23.251 1.00 0.00 C ATOM 859 CG PRO A 61 2.404 12.952 23.306 1.00 0.00 C ATOM 860 CD PRO A 61 2.654 13.443 21.872 1.00 0.00 C ATOM 0 HA PRO A 61 1.066 10.678 21.437 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.421 12.204 23.839 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.627 10.943 23.677 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.111 13.782 23.949 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.314 12.527 23.729 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.487 14.517 21.787 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.682 13.255 21.563 1.00 0.00 H new ATOM 868 N ALA A 62 -1.440 11.052 21.976 1.00 0.00 N ATOM 869 CA ALA A 62 -2.907 11.244 21.810 1.00 0.00 C ATOM 870 C ALA A 62 -3.543 11.447 23.182 1.00 0.00 C ATOM 871 O ALA A 62 -4.344 10.651 23.629 1.00 0.00 O ATOM 872 CB ALA A 62 -3.513 10.009 21.145 1.00 0.00 C ATOM 0 H ALA A 62 -1.167 10.173 22.415 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.094 12.117 21.185 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.587 10.151 21.024 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.054 9.860 20.167 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.331 9.134 21.768 1.00 0.00 H new ATOM 878 N ALA A 63 -3.178 12.506 23.849 1.00 0.00 N ATOM 879 CA ALA A 63 -3.740 12.788 25.204 1.00 0.00 C ATOM 880 C ALA A 63 -5.212 12.369 25.260 1.00 0.00 C ATOM 881 O ALA A 63 -5.960 12.566 24.323 1.00 0.00 O ATOM 882 CB ALA A 63 -3.628 14.286 25.498 1.00 0.00 C ATOM 0 H ALA A 63 -2.507 13.197 23.512 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.179 12.222 25.948 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.038 14.494 26.486 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.580 14.585 25.469 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.186 14.847 24.748 1.00 0.00 H new ATOM 888 N ASN A 64 -5.629 11.785 26.351 1.00 0.00 N ATOM 889 CA ASN A 64 -7.049 11.344 26.468 1.00 0.00 C ATOM 890 C ASN A 64 -7.982 12.496 26.092 1.00 0.00 C ATOM 891 O ASN A 64 -7.547 13.563 25.707 1.00 0.00 O ATOM 892 CB ASN A 64 -7.336 10.912 27.908 1.00 0.00 C ATOM 893 CG ASN A 64 -6.506 11.760 28.874 1.00 0.00 C ATOM 894 OD1 ASN A 64 -5.443 11.353 29.298 1.00 0.00 O ATOM 895 ND2 ASN A 64 -6.951 12.930 29.243 1.00 0.00 N ATOM 0 H ASN A 64 -5.047 11.594 27.167 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.218 10.505 25.793 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.397 11.026 28.128 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.096 9.857 28.036 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.406 13.503 29.888 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.844 13.272 28.887 1.00 0.00 H new ATOM 902 N GLU A 65 -9.265 12.285 26.201 1.00 0.00 N ATOM 903 CA GLU A 65 -10.231 13.364 25.851 1.00 0.00 C ATOM 904 C GLU A 65 -10.660 14.098 27.123 1.00 0.00 C ATOM 905 O GLU A 65 -11.258 15.155 27.069 1.00 0.00 O ATOM 906 CB GLU A 65 -11.460 12.748 25.179 1.00 0.00 C ATOM 907 CG GLU A 65 -12.100 13.777 24.244 1.00 0.00 C ATOM 908 CD GLU A 65 -13.272 13.133 23.501 1.00 0.00 C ATOM 909 OE1 GLU A 65 -13.663 12.042 23.884 1.00 0.00 O ATOM 910 OE2 GLU A 65 -13.758 13.740 22.561 1.00 0.00 O ATOM 0 H GLU A 65 -9.686 11.412 26.517 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.757 14.069 25.168 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.173 11.859 24.617 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.179 12.430 25.934 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.447 14.637 24.816 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.362 14.145 23.531 1.00 0.00 H new ATOM 917 N ARG A 66 -10.359 13.548 28.267 1.00 0.00 N ATOM 918 CA ARG A 66 -10.750 14.215 29.540 1.00 0.00 C ATOM 919 C ARG A 66 -10.309 15.680 29.505 1.00 0.00 C ATOM 920 O ARG A 66 -11.122 16.582 29.473 1.00 0.00 O ATOM 921 CB ARG A 66 -10.074 13.507 30.716 1.00 0.00 C ATOM 922 CG ARG A 66 -10.971 12.371 31.212 1.00 0.00 C ATOM 923 CD ARG A 66 -10.191 11.055 31.184 1.00 0.00 C ATOM 924 NE ARG A 66 -9.516 10.849 32.496 1.00 0.00 N ATOM 925 CZ ARG A 66 -9.042 9.674 32.813 1.00 0.00 C ATOM 926 NH1 ARG A 66 -9.158 8.673 31.982 1.00 0.00 N ATOM 927 NH2 ARG A 66 -8.451 9.499 33.964 1.00 0.00 N ATOM 0 H ARG A 66 -9.859 12.665 28.375 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.832 14.164 29.659 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.106 13.112 30.409 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.888 14.216 31.523 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.315 12.581 32.225 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -11.858 12.293 30.584 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.866 10.225 30.976 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.453 11.075 30.382 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.424 11.628 33.148 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.620 8.808 31.083 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.787 7.757 32.232 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.360 10.279 34.614 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.080 8.582 34.213 1.00 0.00 H new ATOM 941 N GLU A 67 -9.027 15.924 29.511 1.00 0.00 N ATOM 942 CA GLU A 67 -8.536 17.330 29.478 1.00 0.00 C ATOM 943 C GLU A 67 -8.907 17.968 28.138 1.00 0.00 C ATOM 944 O GLU A 67 -8.774 19.161 27.951 1.00 0.00 O ATOM 945 CB GLU A 67 -7.015 17.343 29.647 1.00 0.00 C ATOM 946 CG GLU A 67 -6.618 16.390 30.776 1.00 0.00 C ATOM 947 CD GLU A 67 -5.823 17.156 31.835 1.00 0.00 C ATOM 948 OE1 GLU A 67 -6.443 17.697 32.736 1.00 0.00 O ATOM 949 OE2 GLU A 67 -4.608 17.189 31.726 1.00 0.00 O ATOM 0 H GLU A 67 -8.299 15.210 29.537 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.996 17.895 30.289 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.533 17.043 28.717 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.672 18.353 29.872 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.508 15.948 31.223 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.020 15.569 30.380 1.00 0.00 H new ATOM 956 N ILE A 68 -9.371 17.184 27.204 1.00 0.00 N ATOM 957 CA ILE A 68 -9.748 17.748 25.878 1.00 0.00 C ATOM 958 C ILE A 68 -11.091 18.470 25.993 1.00 0.00 C ATOM 959 O ILE A 68 -11.345 19.441 25.309 1.00 0.00 O ATOM 960 CB ILE A 68 -9.866 16.615 24.857 1.00 0.00 C ATOM 961 CG1 ILE A 68 -8.496 15.961 24.662 1.00 0.00 C ATOM 962 CG2 ILE A 68 -10.355 17.179 23.522 1.00 0.00 C ATOM 963 CD1 ILE A 68 -7.569 16.929 23.925 1.00 0.00 C ATOM 0 H ILE A 68 -9.505 16.178 27.302 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.983 18.453 25.553 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.577 15.872 25.219 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.067 15.695 25.628 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.600 15.037 24.094 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.439 16.371 22.795 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.330 17.646 23.660 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.645 17.922 23.159 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.593 16.464 23.786 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.997 17.173 22.952 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.456 17.841 24.511 1.00 0.00 H new ATOM 975 N GLY A 69 -11.955 18.005 26.854 1.00 0.00 N ATOM 976 CA GLY A 69 -13.281 18.669 27.011 1.00 0.00 C ATOM 977 C GLY A 69 -13.083 20.181 27.114 1.00 0.00 C ATOM 978 O GLY A 69 -13.657 20.944 26.362 1.00 0.00 O ATOM 0 H GLY A 69 -11.801 17.195 27.455 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.921 18.432 26.161 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.784 18.295 27.903 1.00 0.00 H new ATOM 982 N MET A 70 -12.273 20.622 28.037 1.00 0.00 N ATOM 983 CA MET A 70 -12.037 22.086 28.181 1.00 0.00 C ATOM 984 C MET A 70 -11.267 22.588 26.960 1.00 0.00 C ATOM 985 O MET A 70 -11.355 23.741 26.586 1.00 0.00 O ATOM 986 CB MET A 70 -11.220 22.351 29.447 1.00 0.00 C ATOM 987 CG MET A 70 -12.112 23.006 30.503 1.00 0.00 C ATOM 988 SD MET A 70 -11.186 23.187 32.047 1.00 0.00 S ATOM 989 CE MET A 70 -12.521 23.915 33.028 1.00 0.00 C ATOM 0 H MET A 70 -11.765 20.033 28.697 1.00 0.00 H new ATOM 0 HA MET A 70 -12.991 22.608 28.255 1.00 0.00 H new ATOM 0 HB2 MET A 70 -10.811 21.416 29.831 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.374 22.999 29.218 1.00 0.00 H new ATOM 0 HG2 MET A 70 -12.451 23.981 30.154 1.00 0.00 H new ATOM 0 HG3 MET A 70 -13.002 22.399 30.669 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.164 24.113 34.039 1.00 0.00 H new ATOM 0 HE2 MET A 70 -12.843 24.849 32.568 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.362 23.222 33.069 1.00 0.00 H new ATOM 999 N LEU A 71 -10.516 21.725 26.331 1.00 0.00 N ATOM 1000 CA LEU A 71 -9.743 22.144 25.129 1.00 0.00 C ATOM 1001 C LEU A 71 -10.644 22.066 23.894 1.00 0.00 C ATOM 1002 O LEU A 71 -10.245 22.413 22.800 1.00 0.00 O ATOM 1003 CB LEU A 71 -8.545 21.210 24.945 1.00 0.00 C ATOM 1004 CG LEU A 71 -7.713 21.188 26.227 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -6.690 20.054 26.154 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -6.981 22.523 26.381 1.00 0.00 C ATOM 0 H LEU A 71 -10.405 20.747 26.599 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.391 23.167 25.259 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.889 20.204 24.705 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.933 21.546 24.108 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.370 21.030 27.083 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.097 20.039 27.069 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.209 19.102 26.043 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.033 20.211 25.298 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.387 22.509 27.295 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.325 22.679 25.524 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.709 23.333 26.433 1.00 0.00 H new ATOM 1018 N GLU A 72 -11.857 21.613 24.061 1.00 0.00 N ATOM 1019 CA GLU A 72 -12.784 21.513 22.900 1.00 0.00 C ATOM 1020 C GLU A 72 -13.586 22.811 22.778 1.00 0.00 C ATOM 1021 O GLU A 72 -14.272 23.038 21.801 1.00 0.00 O ATOM 1022 CB GLU A 72 -13.739 20.335 23.116 1.00 0.00 C ATOM 1023 CG GLU A 72 -14.899 20.424 22.121 1.00 0.00 C ATOM 1024 CD GLU A 72 -16.058 21.194 22.756 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -15.814 21.912 23.711 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -17.171 21.053 22.276 1.00 0.00 O ATOM 0 H GLU A 72 -12.246 21.308 24.953 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.213 21.354 21.985 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.206 19.393 22.985 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.121 20.346 24.137 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.572 20.924 21.209 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.226 19.424 21.836 1.00 0.00 H new ATOM 1033 N CYS A 73 -13.503 23.665 23.761 1.00 0.00 N ATOM 1034 CA CYS A 73 -14.260 24.947 23.700 1.00 0.00 C ATOM 1035 C CYS A 73 -13.431 25.992 22.951 1.00 0.00 C ATOM 1036 O CYS A 73 -13.225 27.091 23.425 1.00 0.00 O ATOM 1037 CB CYS A 73 -14.541 25.442 25.120 1.00 0.00 C ATOM 1038 SG CYS A 73 -16.144 26.281 25.160 1.00 0.00 S ATOM 0 H CYS A 73 -12.944 23.530 24.603 1.00 0.00 H new ATOM 0 HA CYS A 73 -15.203 24.788 23.178 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -14.540 24.603 25.816 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -13.754 26.124 25.442 1.00 0.00 H new ATOM 0 HG CYS A 73 -16.384 26.700 26.367 1.00 0.00 H new ATOM 1044 N VAL A 74 -12.954 25.658 21.782 1.00 0.00 N ATOM 1045 CA VAL A 74 -12.138 26.630 20.999 1.00 0.00 C ATOM 1046 C VAL A 74 -13.052 27.410 20.052 1.00 0.00 C ATOM 1047 O VAL A 74 -14.204 27.072 19.871 1.00 0.00 O ATOM 1048 CB VAL A 74 -11.096 25.871 20.181 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -10.343 24.896 21.088 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.803 25.093 19.071 1.00 0.00 C ATOM 0 H VAL A 74 -13.095 24.752 21.335 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.639 27.320 21.679 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.388 26.575 19.744 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.600 24.355 20.503 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.845 25.450 21.884 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.047 24.187 21.524 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.065 24.548 18.482 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.507 24.388 19.513 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.341 25.787 18.426 1.00 0.00 H new ATOM 1060 N THR A 75 -12.552 28.452 19.445 1.00 0.00 N ATOM 1061 CA THR A 75 -13.406 29.242 18.515 1.00 0.00 C ATOM 1062 C THR A 75 -13.764 28.393 17.292 1.00 0.00 C ATOM 1063 O THR A 75 -14.829 28.523 16.723 1.00 0.00 O ATOM 1064 CB THR A 75 -12.652 30.490 18.031 1.00 0.00 C ATOM 1065 OG1 THR A 75 -13.589 31.404 17.487 1.00 0.00 O ATOM 1066 CG2 THR A 75 -11.623 30.086 16.966 1.00 0.00 C ATOM 0 H THR A 75 -11.595 28.788 19.552 1.00 0.00 H new ATOM 0 HA THR A 75 -14.310 29.539 19.048 1.00 0.00 H new ATOM 0 HB THR A 75 -12.127 30.960 18.863 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.719 32.149 18.110 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.088 30.971 16.623 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.914 29.378 17.395 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.135 29.622 16.123 1.00 0.00 H new ATOM 1074 N ALA A 76 -12.864 27.551 16.865 1.00 0.00 N ATOM 1075 CA ALA A 76 -13.133 26.727 15.658 1.00 0.00 C ATOM 1076 C ALA A 76 -13.404 25.275 16.047 1.00 0.00 C ATOM 1077 O ALA A 76 -13.883 24.981 17.124 1.00 0.00 O ATOM 1078 CB ALA A 76 -11.912 26.782 14.737 1.00 0.00 C ATOM 0 H ALA A 76 -11.954 27.399 17.301 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.012 27.122 15.148 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.100 26.180 13.848 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.724 27.815 14.443 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.041 26.390 15.263 1.00 0.00 H new ATOM 1084 N GLU A 77 -13.089 24.367 15.166 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.303 22.933 15.442 1.00 0.00 C ATOM 1086 C GLU A 77 -11.946 22.270 15.554 1.00 0.00 C ATOM 1087 O GLU A 77 -10.999 22.692 14.921 1.00 0.00 O ATOM 1088 CB GLU A 77 -14.065 22.293 14.291 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.824 23.071 12.993 1.00 0.00 C ATOM 1090 CD GLU A 77 -12.363 22.918 12.569 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -11.996 21.828 12.162 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -11.635 23.893 12.656 1.00 0.00 O ATOM 0 H GLU A 77 -12.685 24.570 14.252 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.875 22.813 16.362 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.747 21.258 14.167 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.131 22.274 14.518 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.482 22.700 12.207 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.063 24.125 13.139 1.00 0.00 H new ATOM 1099 N LEU A 78 -11.827 21.240 16.332 1.00 0.00 N ATOM 1100 CA LEU A 78 -10.500 20.585 16.446 1.00 0.00 C ATOM 1101 C LEU A 78 -10.510 19.238 15.742 1.00 0.00 C ATOM 1102 O LEU A 78 -11.540 18.702 15.386 1.00 0.00 O ATOM 1103 CB LEU A 78 -10.106 20.405 17.911 1.00 0.00 C ATOM 1104 CG LEU A 78 -8.589 20.570 18.019 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -8.253 21.854 18.776 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -7.984 19.371 18.748 1.00 0.00 C ATOM 0 H LEU A 78 -12.576 20.827 16.887 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.764 21.230 15.966 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.614 21.140 18.535 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.408 19.421 18.268 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.170 20.628 17.014 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.171 21.962 18.847 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.669 22.710 18.244 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.680 21.808 19.778 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.904 19.497 18.821 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.409 19.301 19.749 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.207 18.459 18.195 1.00 0.00 H new ATOM 1118 N LYS A 79 -9.347 18.712 15.521 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.211 17.418 14.816 1.00 0.00 C ATOM 1120 C LYS A 79 -7.846 16.842 15.176 1.00 0.00 C ATOM 1121 O LYS A 79 -7.045 17.509 15.799 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.288 17.664 13.299 1.00 0.00 C ATOM 1123 CG LYS A 79 -9.073 19.145 12.991 1.00 0.00 C ATOM 1124 CD LYS A 79 -9.328 19.400 11.505 1.00 0.00 C ATOM 1125 CE LYS A 79 -10.646 18.743 11.088 1.00 0.00 C ATOM 1126 NZ LYS A 79 -10.371 17.390 10.527 1.00 0.00 N ATOM 0 H LYS A 79 -8.464 19.135 15.806 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.004 16.727 15.104 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.534 17.066 12.788 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.259 17.344 12.920 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.745 19.754 13.596 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.056 19.437 13.252 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.368 20.472 11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.507 18.999 10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.313 18.664 11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.153 19.360 10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.647 17.367 9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.356 17.179 10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.917 16.678 11.053 1.00 0.00 H new ATOM 1140 N PRO A 80 -7.601 15.634 14.763 1.00 0.00 N ATOM 1141 CA PRO A 80 -6.310 14.988 15.020 1.00 0.00 C ATOM 1142 C PRO A 80 -5.193 15.893 14.497 1.00 0.00 C ATOM 1143 O PRO A 80 -4.045 15.774 14.876 1.00 0.00 O ATOM 1144 CB PRO A 80 -6.374 13.666 14.242 1.00 0.00 C ATOM 1145 CG PRO A 80 -7.788 13.568 13.604 1.00 0.00 C ATOM 1146 CD PRO A 80 -8.573 14.823 14.020 1.00 0.00 C ATOM 0 HA PRO A 80 -6.112 14.811 16.077 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.603 13.636 13.472 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.194 12.821 14.906 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.715 13.504 12.518 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.299 12.667 13.942 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -8.955 15.359 13.151 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.432 14.567 14.640 1.00 0.00 H new ATOM 1154 N ASN A 81 -5.538 16.805 13.630 1.00 0.00 N ATOM 1155 CA ASN A 81 -4.526 17.741 13.070 1.00 0.00 C ATOM 1156 C ASN A 81 -4.310 18.911 14.039 1.00 0.00 C ATOM 1157 O ASN A 81 -3.214 19.416 14.178 1.00 0.00 O ATOM 1158 CB ASN A 81 -5.039 18.283 11.736 1.00 0.00 C ATOM 1159 CG ASN A 81 -4.196 17.722 10.595 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -2.906 17.878 10.622 1.00 0.00 O flip ATOM 1161 ND2 ASN A 81 -4.719 17.136 9.668 1.00 0.00 N flip ATOM 0 H ASN A 81 -6.487 16.942 13.283 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.583 17.215 12.924 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.084 18.007 11.598 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.994 19.372 11.733 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.731 17.014 9.648 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.146 16.766 8.910 1.00 0.00 H new ATOM 1168 N SER A 82 -5.348 19.353 14.700 1.00 0.00 N ATOM 1169 CA SER A 82 -5.201 20.501 15.648 1.00 0.00 C ATOM 1170 C SER A 82 -4.996 19.992 17.072 1.00 0.00 C ATOM 1171 O SER A 82 -5.330 18.870 17.398 1.00 0.00 O ATOM 1172 CB SER A 82 -6.451 21.373 15.603 1.00 0.00 C ATOM 1173 OG SER A 82 -7.483 20.676 14.928 1.00 0.00 O ATOM 0 H SER A 82 -6.291 18.970 14.626 1.00 0.00 H new ATOM 0 HA SER A 82 -4.332 21.087 15.349 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.769 21.626 16.615 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.236 22.312 15.092 1.00 0.00 H new ATOM 0 HG SER A 82 -7.924 21.279 14.293 1.00 0.00 H new ATOM 1179 N ARG A 83 -4.448 20.814 17.928 1.00 0.00 N ATOM 1180 CA ARG A 83 -4.222 20.383 19.333 1.00 0.00 C ATOM 1181 C ARG A 83 -4.014 21.618 20.205 1.00 0.00 C ATOM 1182 O ARG A 83 -4.301 22.729 19.806 1.00 0.00 O ATOM 1183 CB ARG A 83 -2.975 19.498 19.401 1.00 0.00 C ATOM 1184 CG ARG A 83 -3.385 18.046 19.657 1.00 0.00 C ATOM 1185 CD ARG A 83 -3.893 17.903 21.092 1.00 0.00 C ATOM 1186 NE ARG A 83 -2.829 17.286 21.947 1.00 0.00 N ATOM 1187 CZ ARG A 83 -2.214 16.189 21.586 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -2.628 15.499 20.555 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -1.211 15.748 22.295 1.00 0.00 N ATOM 0 H ARG A 83 -4.148 21.765 17.712 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.085 19.820 19.689 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.416 19.569 18.468 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.314 19.845 20.196 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.162 17.747 18.954 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.535 17.383 19.493 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.170 18.880 21.489 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.791 17.285 21.110 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.578 17.731 22.830 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.439 15.814 20.022 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.140 14.645 20.283 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.910 16.258 23.126 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.728 14.893 22.018 1.00 0.00 H new ATOM 1203 N LEU A 84 -3.497 21.435 21.384 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.246 22.597 22.275 1.00 0.00 C ATOM 1205 C LEU A 84 -1.748 22.892 22.268 1.00 0.00 C ATOM 1206 O LEU A 84 -0.944 22.034 22.558 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.698 22.258 23.699 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.151 21.773 23.680 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.995 22.699 22.800 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -5.206 20.350 23.120 1.00 0.00 C ATOM 0 H LEU A 84 -3.236 20.528 21.771 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.802 23.467 21.926 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.053 21.487 24.121 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.606 23.136 24.338 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.546 21.782 24.696 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.027 22.350 22.790 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.959 23.713 23.199 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.600 22.695 21.784 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.240 20.004 23.106 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.807 20.343 22.106 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.610 19.688 23.749 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.359 24.090 21.925 1.00 0.00 N ATOM 1223 CA CYS A 85 0.096 24.414 21.893 1.00 0.00 C ATOM 1224 C CYS A 85 0.675 24.312 23.307 1.00 0.00 C ATOM 1225 O CYS A 85 1.874 24.346 23.500 1.00 0.00 O ATOM 1226 CB CYS A 85 0.301 25.833 21.345 1.00 0.00 C ATOM 1227 SG CYS A 85 -0.119 27.061 22.610 1.00 0.00 S ATOM 0 H CYS A 85 -1.982 24.855 21.667 1.00 0.00 H new ATOM 0 HA CYS A 85 0.609 23.706 21.243 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.337 25.963 21.031 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -0.321 25.983 20.462 1.00 0.00 H new ATOM 0 HG CYS A 85 0.743 26.996 23.581 1.00 0.00 H new ATOM 1233 N CYS A 86 -0.167 24.191 24.296 1.00 0.00 N ATOM 1234 CA CYS A 86 0.339 24.094 25.693 1.00 0.00 C ATOM 1235 C CYS A 86 0.338 22.631 26.148 1.00 0.00 C ATOM 1236 O CYS A 86 0.447 22.339 27.322 1.00 0.00 O ATOM 1237 CB CYS A 86 -0.566 24.903 26.620 1.00 0.00 C ATOM 1238 SG CYS A 86 -2.183 24.099 26.728 1.00 0.00 S ATOM 0 H CYS A 86 -1.182 24.155 24.197 1.00 0.00 H new ATOM 0 HA CYS A 86 1.355 24.486 25.730 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.117 24.978 27.611 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.677 25.920 26.243 1.00 0.00 H new ATOM 0 HG CYS A 86 -2.956 24.783 27.518 1.00 0.00 H new ATOM 1243 N GLN A 87 0.207 21.708 25.235 1.00 0.00 N ATOM 1244 CA GLN A 87 0.188 20.271 25.634 1.00 0.00 C ATOM 1245 C GLN A 87 0.909 19.409 24.590 1.00 0.00 C ATOM 1246 O GLN A 87 1.002 18.206 24.734 1.00 0.00 O ATOM 1247 CB GLN A 87 -1.262 19.801 25.763 1.00 0.00 C ATOM 1248 CG GLN A 87 -1.483 19.201 27.153 1.00 0.00 C ATOM 1249 CD GLN A 87 -2.805 18.433 27.174 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -3.612 18.563 26.274 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -3.064 17.630 28.170 1.00 0.00 N ATOM 0 H GLN A 87 0.113 21.885 24.235 1.00 0.00 H new ATOM 0 HA GLN A 87 0.702 20.167 26.589 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.942 20.638 25.604 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.485 19.060 24.996 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.659 18.534 27.408 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.498 19.991 27.904 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.388 17.520 28.926 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.943 17.112 28.193 1.00 0.00 H new ATOM 1260 N ILE A 88 1.427 19.999 23.546 1.00 0.00 N ATOM 1261 CA ILE A 88 2.140 19.184 22.519 1.00 0.00 C ATOM 1262 C ILE A 88 3.639 19.237 22.799 1.00 0.00 C ATOM 1263 O ILE A 88 4.142 20.192 23.359 1.00 0.00 O ATOM 1264 CB ILE A 88 1.871 19.727 21.111 1.00 0.00 C ATOM 1265 CG1 ILE A 88 0.605 20.593 21.116 1.00 0.00 C ATOM 1266 CG2 ILE A 88 1.685 18.553 20.148 1.00 0.00 C ATOM 1267 CD1 ILE A 88 0.109 20.799 19.682 1.00 0.00 C ATOM 0 H ILE A 88 1.388 21.001 23.360 1.00 0.00 H new ATOM 0 HA ILE A 88 1.778 18.157 22.571 1.00 0.00 H new ATOM 0 HB ILE A 88 2.716 20.337 20.791 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.171 20.114 21.713 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.815 21.557 21.579 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.493 18.933 19.144 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.588 17.943 20.139 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.841 17.946 20.474 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.790 21.415 19.693 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.883 21.297 19.097 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.119 19.832 19.233 1.00 0.00 H new ATOM 1279 N ILE A 89 4.359 18.218 22.427 1.00 0.00 N ATOM 1280 CA ILE A 89 5.815 18.211 22.684 1.00 0.00 C ATOM 1281 C ILE A 89 6.575 17.998 21.373 1.00 0.00 C ATOM 1282 O ILE A 89 6.043 17.486 20.408 1.00 0.00 O ATOM 1283 CB ILE A 89 6.136 17.074 23.646 1.00 0.00 C ATOM 1284 CG1 ILE A 89 5.461 17.334 24.995 1.00 0.00 C ATOM 1285 CG2 ILE A 89 7.641 16.997 23.835 1.00 0.00 C ATOM 1286 CD1 ILE A 89 5.718 18.779 25.428 1.00 0.00 C ATOM 0 H ILE A 89 3.997 17.390 21.955 1.00 0.00 H new ATOM 0 HA ILE A 89 6.116 19.165 23.116 1.00 0.00 H new ATOM 0 HB ILE A 89 5.767 16.133 23.239 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.389 17.152 24.918 1.00 0.00 H new ATOM 0 HG13 ILE A 89 5.848 16.645 25.745 1.00 0.00 H new ATOM 0 HG21 ILE A 89 7.880 16.186 24.522 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.119 16.811 22.873 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.005 17.939 24.245 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.237 18.962 26.389 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.791 18.945 25.522 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.310 19.461 24.682 1.00 0.00 H new ATOM 1298 N MET A 90 7.821 18.382 21.338 1.00 0.00 N ATOM 1299 CA MET A 90 8.628 18.201 20.100 1.00 0.00 C ATOM 1300 C MET A 90 9.841 17.328 20.415 1.00 0.00 C ATOM 1301 O MET A 90 10.891 17.813 20.787 1.00 0.00 O ATOM 1302 CB MET A 90 9.105 19.560 19.597 1.00 0.00 C ATOM 1303 CG MET A 90 9.209 19.535 18.071 1.00 0.00 C ATOM 1304 SD MET A 90 10.167 18.089 17.552 1.00 0.00 S ATOM 1305 CE MET A 90 10.420 18.590 15.833 1.00 0.00 C ATOM 0 H MET A 90 8.317 18.815 22.117 1.00 0.00 H new ATOM 0 HA MET A 90 8.017 17.724 19.334 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.411 20.339 19.912 1.00 0.00 H new ATOM 0 HB3 MET A 90 10.074 19.801 20.034 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.213 19.502 17.629 1.00 0.00 H new ATOM 0 HG3 MET A 90 9.686 20.448 17.714 1.00 0.00 H new ATOM 0 HE1 MET A 90 9.850 17.934 15.175 1.00 0.00 H new ATOM 0 HE2 MET A 90 10.084 19.618 15.700 1.00 0.00 H new ATOM 0 HE3 MET A 90 11.479 18.520 15.586 1.00 0.00 H new ATOM 1315 N THR A 91 9.702 16.044 20.270 1.00 0.00 N ATOM 1316 CA THR A 91 10.843 15.130 20.561 1.00 0.00 C ATOM 1317 C THR A 91 11.780 15.082 19.350 1.00 0.00 C ATOM 1318 O THR A 91 11.427 15.534 18.279 1.00 0.00 O ATOM 1319 CB THR A 91 10.311 13.724 20.851 1.00 0.00 C ATOM 1320 OG1 THR A 91 8.954 13.638 20.442 1.00 0.00 O ATOM 1321 CG2 THR A 91 10.414 13.437 22.350 1.00 0.00 C ATOM 0 H THR A 91 8.846 15.583 19.962 1.00 0.00 H new ATOM 0 HA THR A 91 11.390 15.497 21.430 1.00 0.00 H new ATOM 0 HB THR A 91 10.902 12.991 20.302 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.613 12.738 20.626 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.035 12.436 22.556 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.456 13.502 22.662 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.824 14.169 22.902 1.00 0.00 H new ATOM 1329 N PRO A 92 12.949 14.532 19.560 1.00 0.00 N ATOM 1330 CA PRO A 92 13.960 14.410 18.495 1.00 0.00 C ATOM 1331 C PRO A 92 13.411 13.565 17.343 1.00 0.00 C ATOM 1332 O PRO A 92 13.970 13.529 16.264 1.00 0.00 O ATOM 1333 CB PRO A 92 15.152 13.709 19.162 1.00 0.00 C ATOM 1334 CG PRO A 92 14.776 13.449 20.644 1.00 0.00 C ATOM 1335 CD PRO A 92 13.356 13.990 20.869 1.00 0.00 C ATOM 0 HA PRO A 92 14.240 15.375 18.073 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.377 12.771 18.654 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.046 14.329 19.097 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.819 12.383 20.868 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.483 13.943 21.310 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.680 13.201 21.198 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.344 14.762 21.638 1.00 0.00 H new ATOM 1343 N GLU A 93 12.320 12.884 17.563 1.00 0.00 N ATOM 1344 CA GLU A 93 11.735 12.043 16.482 1.00 0.00 C ATOM 1345 C GLU A 93 11.090 12.945 15.428 1.00 0.00 C ATOM 1346 O GLU A 93 11.190 12.700 14.243 1.00 0.00 O ATOM 1347 CB GLU A 93 10.674 11.114 17.076 1.00 0.00 C ATOM 1348 CG GLU A 93 11.271 9.720 17.280 1.00 0.00 C ATOM 1349 CD GLU A 93 10.676 8.755 16.254 1.00 0.00 C ATOM 1350 OE1 GLU A 93 10.937 8.937 15.076 1.00 0.00 O ATOM 1351 OE2 GLU A 93 9.968 7.849 16.663 1.00 0.00 O ATOM 0 H GLU A 93 11.808 12.874 18.445 1.00 0.00 H new ATOM 0 HA GLU A 93 12.522 11.447 16.019 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.319 11.512 18.027 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.812 11.058 16.412 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.355 9.758 17.173 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.062 9.368 18.290 1.00 0.00 H new ATOM 1358 N LEU A 94 10.429 13.988 15.851 1.00 0.00 N ATOM 1359 CA LEU A 94 9.779 14.904 14.871 1.00 0.00 C ATOM 1360 C LEU A 94 10.818 15.884 14.324 1.00 0.00 C ATOM 1361 O LEU A 94 11.607 16.442 15.059 1.00 0.00 O ATOM 1362 CB LEU A 94 8.659 15.681 15.565 1.00 0.00 C ATOM 1363 CG LEU A 94 7.507 14.729 15.887 1.00 0.00 C ATOM 1364 CD1 LEU A 94 7.645 14.226 17.325 1.00 0.00 C ATOM 1365 CD2 LEU A 94 6.175 15.468 15.731 1.00 0.00 C ATOM 0 H LEU A 94 10.311 14.245 16.831 1.00 0.00 H new ATOM 0 HA LEU A 94 9.361 14.322 14.050 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.033 16.140 16.480 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.309 16.489 14.922 1.00 0.00 H new ATOM 0 HG LEU A 94 7.536 13.882 15.202 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.823 13.547 17.554 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.593 13.699 17.437 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.618 15.073 18.011 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.353 14.789 15.960 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.147 16.316 16.415 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.075 15.825 14.706 1.00 0.00 H new ATOM 1377 N ASP A 95 10.824 16.099 13.037 1.00 0.00 N ATOM 1378 CA ASP A 95 11.812 17.043 12.445 1.00 0.00 C ATOM 1379 C ASP A 95 11.112 17.945 11.428 1.00 0.00 C ATOM 1380 O ASP A 95 10.487 17.479 10.496 1.00 0.00 O ATOM 1381 CB ASP A 95 12.921 16.252 11.748 1.00 0.00 C ATOM 1382 CG ASP A 95 12.305 15.328 10.696 1.00 0.00 C ATOM 1383 OD1 ASP A 95 11.502 14.489 11.069 1.00 0.00 O ATOM 1384 OD2 ASP A 95 12.647 15.475 9.534 1.00 0.00 O ATOM 0 H ASP A 95 10.188 15.662 12.371 1.00 0.00 H new ATOM 0 HA ASP A 95 12.245 17.656 13.235 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.629 16.935 11.278 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.480 15.667 12.479 1.00 0.00 H new ATOM 1389 N GLY A 96 11.211 19.235 11.599 1.00 0.00 N ATOM 1390 CA GLY A 96 10.550 20.166 10.642 1.00 0.00 C ATOM 1391 C GLY A 96 9.033 20.054 10.786 1.00 0.00 C ATOM 1392 O GLY A 96 8.316 19.914 9.815 1.00 0.00 O ATOM 0 H GLY A 96 11.721 19.684 12.360 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.869 21.190 10.835 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.848 19.927 9.621 1.00 0.00 H new ATOM 1396 N ILE A 97 8.534 20.122 11.991 1.00 0.00 N ATOM 1397 CA ILE A 97 7.057 20.024 12.187 1.00 0.00 C ATOM 1398 C ILE A 97 6.424 21.357 11.777 1.00 0.00 C ATOM 1399 O ILE A 97 7.044 22.397 11.875 1.00 0.00 O ATOM 1400 CB ILE A 97 6.725 19.689 13.665 1.00 0.00 C ATOM 1401 CG1 ILE A 97 6.277 20.943 14.429 1.00 0.00 C ATOM 1402 CG2 ILE A 97 7.956 19.110 14.365 1.00 0.00 C ATOM 1403 CD1 ILE A 97 4.820 21.257 14.084 1.00 0.00 C ATOM 0 H ILE A 97 9.081 20.240 12.844 1.00 0.00 H new ATOM 0 HA ILE A 97 6.654 19.221 11.570 1.00 0.00 H new ATOM 0 HB ILE A 97 5.915 18.960 13.662 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.382 20.785 15.502 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.914 21.788 14.168 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.710 18.879 15.401 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.270 18.199 13.855 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.766 19.839 14.338 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.501 22.147 14.626 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.730 21.433 13.012 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.189 20.414 14.367 1.00 0.00 H new ATOM 1415 N VAL A 98 5.202 21.346 11.321 1.00 0.00 N ATOM 1416 CA VAL A 98 4.575 22.630 10.919 1.00 0.00 C ATOM 1417 C VAL A 98 3.297 22.860 11.723 1.00 0.00 C ATOM 1418 O VAL A 98 2.260 22.295 11.441 1.00 0.00 O ATOM 1419 CB VAL A 98 4.240 22.599 9.431 1.00 0.00 C ATOM 1420 CG1 VAL A 98 3.934 24.020 8.958 1.00 0.00 C ATOM 1421 CG2 VAL A 98 5.436 22.044 8.651 1.00 0.00 C ATOM 0 H VAL A 98 4.620 20.516 11.211 1.00 0.00 H new ATOM 0 HA VAL A 98 5.275 23.442 11.116 1.00 0.00 H new ATOM 0 HB VAL A 98 3.372 21.962 9.261 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.694 24.006 7.895 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.085 24.415 9.517 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.805 24.654 9.125 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.198 22.021 7.588 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.305 22.682 8.815 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.657 21.034 8.995 1.00 0.00 H new ATOM 1431 N VAL A 99 3.362 23.708 12.707 1.00 0.00 N ATOM 1432 CA VAL A 99 2.153 24.006 13.518 1.00 0.00 C ATOM 1433 C VAL A 99 1.515 25.270 12.956 1.00 0.00 C ATOM 1434 O VAL A 99 2.177 26.089 12.354 1.00 0.00 O ATOM 1435 CB VAL A 99 2.518 24.227 14.997 1.00 0.00 C ATOM 1436 CG1 VAL A 99 2.021 23.040 15.823 1.00 0.00 C ATOM 1437 CG2 VAL A 99 4.036 24.355 15.166 1.00 0.00 C ATOM 0 H VAL A 99 4.205 24.210 12.986 1.00 0.00 H new ATOM 0 HA VAL A 99 1.464 23.163 13.468 1.00 0.00 H new ATOM 0 HB VAL A 99 2.046 25.148 15.339 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.278 23.193 16.871 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.939 22.955 15.723 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.492 22.125 15.464 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.273 24.511 16.218 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.519 23.443 14.816 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.397 25.203 14.584 1.00 0.00 H new ATOM 1447 N ASP A 100 0.240 25.441 13.136 1.00 0.00 N ATOM 1448 CA ASP A 100 -0.415 26.662 12.597 1.00 0.00 C ATOM 1449 C ASP A 100 -1.253 27.306 13.692 1.00 0.00 C ATOM 1450 O ASP A 100 -1.421 26.762 14.765 1.00 0.00 O ATOM 1451 CB ASP A 100 -1.316 26.297 11.413 1.00 0.00 C ATOM 1452 CG ASP A 100 -0.546 25.410 10.430 1.00 0.00 C ATOM 1453 OD1 ASP A 100 0.178 24.540 10.886 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -0.694 25.617 9.237 1.00 0.00 O ATOM 0 H ASP A 100 -0.375 24.794 13.629 1.00 0.00 H new ATOM 0 HA ASP A 100 0.351 27.360 12.258 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.205 25.776 11.768 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -1.656 27.202 10.910 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.779 28.464 13.430 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.608 29.145 14.467 1.00 0.00 C ATOM 1461 C VAL A 101 -4.085 29.083 14.056 1.00 0.00 C ATOM 1462 O VAL A 101 -4.403 29.150 12.885 1.00 0.00 O ATOM 1463 CB VAL A 101 -2.147 30.608 14.613 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -3.130 31.401 15.474 1.00 0.00 C ATOM 1465 CG2 VAL A 101 -0.766 30.636 15.271 1.00 0.00 C ATOM 0 H VAL A 101 -1.675 28.970 12.550 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.489 28.644 15.428 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.103 31.062 13.623 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.786 32.431 15.564 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.115 31.387 15.008 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.191 30.951 16.465 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.434 31.669 15.377 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.822 30.170 16.255 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.056 30.089 14.651 1.00 0.00 H new ATOM 1475 N PRO A 102 -4.945 28.940 15.039 1.00 0.00 N ATOM 1476 CA PRO A 102 -6.397 28.846 14.808 1.00 0.00 C ATOM 1477 C PRO A 102 -6.896 30.077 14.056 1.00 0.00 C ATOM 1478 O PRO A 102 -6.133 30.957 13.724 1.00 0.00 O ATOM 1479 CB PRO A 102 -7.019 28.786 16.196 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.859 28.766 17.221 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.542 28.867 16.451 1.00 0.00 C ATOM 0 HA PRO A 102 -6.659 27.976 14.205 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.666 29.647 16.365 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.639 27.896 16.301 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.955 29.596 17.921 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.887 27.849 17.809 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.975 29.750 16.748 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.906 28.002 16.638 1.00 0.00 H new ATOM 1489 N ASP A 103 -8.171 30.160 13.802 1.00 0.00 N ATOM 1490 CA ASP A 103 -8.705 31.355 13.092 1.00 0.00 C ATOM 1491 C ASP A 103 -9.092 32.399 14.128 1.00 0.00 C ATOM 1492 O ASP A 103 -8.988 33.589 13.909 1.00 0.00 O ATOM 1493 CB ASP A 103 -9.934 30.962 12.269 1.00 0.00 C ATOM 1494 CG ASP A 103 -9.992 31.814 11.000 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -9.389 32.874 10.993 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -10.639 31.391 10.055 1.00 0.00 O ATOM 0 H ASP A 103 -8.864 29.456 14.054 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.948 31.759 12.420 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.887 29.905 12.008 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.840 31.105 12.858 1.00 0.00 H new ATOM 1501 N ARG A 104 -9.533 31.950 15.258 1.00 0.00 N ATOM 1502 CA ARG A 104 -9.930 32.892 16.339 1.00 0.00 C ATOM 1503 C ARG A 104 -9.314 32.423 17.658 1.00 0.00 C ATOM 1504 O ARG A 104 -8.376 31.651 17.675 1.00 0.00 O ATOM 1505 CB ARG A 104 -11.467 32.964 16.469 1.00 0.00 C ATOM 1506 CG ARG A 104 -12.171 32.257 15.289 1.00 0.00 C ATOM 1507 CD ARG A 104 -12.757 33.309 14.362 1.00 0.00 C ATOM 1508 NE ARG A 104 -11.689 34.282 14.039 1.00 0.00 N ATOM 1509 CZ ARG A 104 -11.847 35.144 13.071 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -12.956 35.160 12.382 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -10.894 35.990 12.791 1.00 0.00 N ATOM 0 H ARG A 104 -9.639 30.962 15.487 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.566 33.890 16.093 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.775 32.502 17.407 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.781 34.007 16.509 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.462 31.631 14.748 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.958 31.600 15.659 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.138 32.845 13.452 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.598 33.811 14.840 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.822 34.279 14.577 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.701 34.498 12.599 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.077 35.834 11.626 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.027 35.977 13.328 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.016 36.664 12.035 1.00 0.00 H new ATOM 1525 N GLN A 105 -9.833 32.879 18.764 1.00 0.00 N ATOM 1526 CA GLN A 105 -9.273 32.451 20.077 1.00 0.00 C ATOM 1527 C GLN A 105 -10.313 32.680 21.176 1.00 0.00 C ATOM 1528 O GLN A 105 -9.979 32.891 22.325 1.00 0.00 O ATOM 1529 CB GLN A 105 -8.016 33.268 20.386 1.00 0.00 C ATOM 1530 CG GLN A 105 -8.271 34.741 20.058 1.00 0.00 C ATOM 1531 CD GLN A 105 -7.012 35.556 20.359 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -6.412 36.122 19.467 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -6.582 35.640 21.589 1.00 0.00 N ATOM 0 H GLN A 105 -10.618 33.528 18.816 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.018 31.392 20.035 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.748 33.160 21.437 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.174 32.895 19.802 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -8.545 34.849 19.008 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.109 35.116 20.646 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.085 35.165 22.339 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.743 36.180 21.800 1.00 0.00 H new ATOM 1542 N TRP A 106 -11.572 32.640 20.834 1.00 0.00 N ATOM 1543 CA TRP A 106 -12.631 32.856 21.861 1.00 0.00 C ATOM 1544 C TRP A 106 -12.420 34.215 22.533 1.00 0.00 C ATOM 1545 O TRP A 106 -11.762 35.052 21.937 1.00 0.00 O ATOM 1546 CB TRP A 106 -12.553 31.749 22.914 1.00 0.00 C ATOM 1547 CG TRP A 106 -13.555 30.685 22.594 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -13.254 29.399 22.304 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -15.007 30.792 22.528 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -14.429 28.708 22.066 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -15.536 29.524 22.191 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -15.906 31.855 22.727 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -16.910 29.318 22.056 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -17.289 31.651 22.591 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -17.790 30.385 22.256 1.00 0.00 C ATOM 1556 OXT TRP A 106 -12.921 34.394 23.631 1.00 0.00 O ATOM 0 H TRP A 106 -11.913 32.467 19.888 1.00 0.00 H new ATOM 0 HA TRP A 106 -13.611 32.835 21.383 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -11.550 31.324 22.936 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -12.747 32.160 23.905 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -12.259 28.980 22.265 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -14.472 27.717 21.827 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -15.531 32.834 22.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -17.290 28.341 21.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -17.971 32.474 22.745 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -18.854 30.235 22.153 1.00 0.00 H new