USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 159:sc= 0.0386 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0317 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 160:sc= 0.774 (180deg=0.315) USER MOD Single : A 16 THR OG1 : rot -95:sc= -4.29! USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= -0.285 (180deg=-1.42!) USER MOD Single : A 21 ASN : amide:sc= -6.37! C(o=-6.4!,f=-7.2!) USER MOD Single : A 22 ASN :FLIP amide:sc= -4.4! C(o=-9.6!,f=-4.4!) USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= -2.21! (180deg=-2.48!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.448 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -129:sc= -2.65 (180deg=-6.68!) USER MOD Single : A 37 SER OG : rot -76:sc= 0.726 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -34:sc= 0.218 USER MOD Single : A 48 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.42) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 83:sc= 1.19 USER MOD Single : A 67 SER OG : rot 180:sc= -0.461 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 79 SER OG : rot 62:sc= 0.932 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 19.781 6.994 9.952 1.00 0.00 N ATOM 2 CA SER A 1 20.671 5.879 9.522 1.00 0.00 C ATOM 3 C SER A 1 19.837 4.616 9.298 1.00 0.00 C ATOM 4 O SER A 1 18.686 4.681 8.915 1.00 0.00 O ATOM 5 CB SER A 1 21.716 5.615 10.606 1.00 0.00 C ATOM 6 OG SER A 1 22.390 6.828 10.914 1.00 0.00 O ATOM 0 H1 SER A 1 20.345 7.721 10.437 1.00 0.00 H new ATOM 0 H2 SER A 1 19.320 7.412 9.118 1.00 0.00 H new ATOM 0 H3 SER A 1 19.056 6.629 10.602 1.00 0.00 H new ATOM 0 HA SER A 1 21.172 6.152 8.593 1.00 0.00 H new ATOM 0 HB2 SER A 1 21.237 5.215 11.499 1.00 0.00 H new ATOM 0 HB3 SER A 1 22.430 4.866 10.264 1.00 0.00 H new ATOM 0 HG SER A 1 23.060 6.662 11.610 1.00 0.00 H new ATOM 14 N ASP A 2 20.407 3.467 9.538 1.00 0.00 N ATOM 15 CA ASP A 2 19.645 2.201 9.339 1.00 0.00 C ATOM 16 C ASP A 2 18.558 2.087 10.409 1.00 0.00 C ATOM 17 O ASP A 2 18.485 1.115 11.132 1.00 0.00 O ATOM 18 CB ASP A 2 20.598 1.009 9.450 1.00 0.00 C ATOM 19 CG ASP A 2 21.693 1.130 8.389 1.00 0.00 C ATOM 20 OD1 ASP A 2 21.410 1.670 7.332 1.00 0.00 O ATOM 21 OD2 ASP A 2 22.796 0.678 8.651 1.00 0.00 O ATOM 0 H ASP A 2 21.367 3.350 9.863 1.00 0.00 H new ATOM 0 HA ASP A 2 19.184 2.206 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 2 21.043 0.977 10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.049 0.077 9.316 1.00 0.00 H new ATOM 26 N VAL A 3 17.711 3.080 10.517 1.00 0.00 N ATOM 27 CA VAL A 3 16.621 3.048 11.537 1.00 0.00 C ATOM 28 C VAL A 3 15.301 2.666 10.866 1.00 0.00 C ATOM 29 O VAL A 3 14.675 1.686 11.215 1.00 0.00 O ATOM 30 CB VAL A 3 16.482 4.428 12.165 1.00 0.00 C ATOM 31 CG1 VAL A 3 15.411 4.393 13.259 1.00 0.00 C ATOM 32 CG2 VAL A 3 17.820 4.852 12.773 1.00 0.00 C ATOM 0 H VAL A 3 17.729 3.918 9.936 1.00 0.00 H new ATOM 0 HA VAL A 3 16.864 2.314 12.305 1.00 0.00 H new ATOM 0 HB VAL A 3 16.189 5.144 11.397 1.00 0.00 H new ATOM 0 HG11 VAL A 3 15.315 5.383 13.706 1.00 0.00 H new ATOM 0 HG12 VAL A 3 14.456 4.097 12.824 1.00 0.00 H new ATOM 0 HG13 VAL A 3 15.698 3.675 14.027 1.00 0.00 H new ATOM 0 HG21 VAL A 3 17.719 5.840 13.222 1.00 0.00 H new ATOM 0 HG22 VAL A 3 18.116 4.134 13.538 1.00 0.00 H new ATOM 0 HG23 VAL A 3 18.580 4.884 11.993 1.00 0.00 H new ATOM 42 N TYR A 4 14.869 3.441 9.911 1.00 0.00 N ATOM 43 CA TYR A 4 13.584 3.137 9.221 1.00 0.00 C ATOM 44 C TYR A 4 13.754 1.880 8.359 1.00 0.00 C ATOM 45 O TYR A 4 12.792 1.306 7.889 1.00 0.00 O ATOM 46 CB TYR A 4 13.188 4.335 8.337 1.00 0.00 C ATOM 47 CG TYR A 4 12.360 5.325 9.133 1.00 0.00 C ATOM 48 CD1 TYR A 4 12.716 5.645 10.450 1.00 0.00 C ATOM 49 CD2 TYR A 4 11.232 5.916 8.554 1.00 0.00 C ATOM 50 CE1 TYR A 4 11.948 6.555 11.182 1.00 0.00 C ATOM 51 CE2 TYR A 4 10.461 6.824 9.285 1.00 0.00 C ATOM 52 CZ TYR A 4 10.818 7.145 10.600 1.00 0.00 C ATOM 53 OH TYR A 4 10.058 8.043 11.324 1.00 0.00 O ATOM 0 H TYR A 4 15.352 4.275 9.577 1.00 0.00 H new ATOM 0 HA TYR A 4 12.800 2.960 9.957 1.00 0.00 H new ATOM 0 HB2 TYR A 4 14.083 4.825 7.954 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.621 3.987 7.474 1.00 0.00 H new ATOM 0 HD1 TYR A 4 13.585 5.188 10.900 1.00 0.00 H new ATOM 0 HD2 TYR A 4 10.956 5.670 7.539 1.00 0.00 H new ATOM 0 HE1 TYR A 4 12.225 6.803 12.196 1.00 0.00 H new ATOM 0 HE2 TYR A 4 9.590 7.278 8.836 1.00 0.00 H new ATOM 0 HH TYR A 4 9.312 8.359 10.773 1.00 0.00 H new ATOM 63 N CYS A 5 14.965 1.449 8.147 1.00 0.00 N ATOM 64 CA CYS A 5 15.185 0.233 7.316 1.00 0.00 C ATOM 65 C CYS A 5 14.776 -1.011 8.113 1.00 0.00 C ATOM 66 O CYS A 5 14.141 -1.910 7.600 1.00 0.00 O ATOM 67 CB CYS A 5 16.665 0.137 6.932 1.00 0.00 C ATOM 68 SG CYS A 5 17.278 1.780 6.481 1.00 0.00 S ATOM 0 H CYS A 5 15.811 1.885 8.513 1.00 0.00 H new ATOM 0 HA CYS A 5 14.581 0.296 6.411 1.00 0.00 H new ATOM 0 HB2 CYS A 5 17.243 -0.263 7.765 1.00 0.00 H new ATOM 0 HB3 CYS A 5 16.791 -0.552 6.097 1.00 0.00 H new ATOM 73 N GLU A 6 15.138 -1.067 9.367 1.00 0.00 N ATOM 74 CA GLU A 6 14.774 -2.254 10.197 1.00 0.00 C ATOM 75 C GLU A 6 13.345 -2.098 10.724 1.00 0.00 C ATOM 76 O GLU A 6 12.560 -3.025 10.695 1.00 0.00 O ATOM 77 CB GLU A 6 15.744 -2.364 11.377 1.00 0.00 C ATOM 78 CG GLU A 6 17.088 -2.907 10.887 1.00 0.00 C ATOM 79 CD GLU A 6 17.624 -2.012 9.769 1.00 0.00 C ATOM 80 OE1 GLU A 6 17.737 -0.819 9.996 1.00 0.00 O ATOM 81 OE2 GLU A 6 17.912 -2.535 8.705 1.00 0.00 O ATOM 0 H GLU A 6 15.669 -0.344 9.852 1.00 0.00 H new ATOM 0 HA GLU A 6 14.835 -3.155 9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 6 15.882 -1.387 11.840 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.331 -3.023 12.141 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.800 -2.943 11.712 1.00 0.00 H new ATOM 0 HG3 GLU A 6 16.969 -3.928 10.524 1.00 0.00 H new ATOM 88 N VAL A 7 13.002 -0.937 11.212 1.00 0.00 N ATOM 89 CA VAL A 7 11.626 -0.730 11.745 1.00 0.00 C ATOM 90 C VAL A 7 10.597 -1.248 10.735 1.00 0.00 C ATOM 91 O VAL A 7 9.728 -2.030 11.070 1.00 0.00 O ATOM 92 CB VAL A 7 11.395 0.761 11.998 1.00 0.00 C ATOM 93 CG1 VAL A 7 9.941 0.990 12.418 1.00 0.00 C ATOM 94 CG2 VAL A 7 12.330 1.239 13.114 1.00 0.00 C ATOM 0 H VAL A 7 13.615 -0.123 11.265 1.00 0.00 H new ATOM 0 HA VAL A 7 11.515 -1.277 12.681 1.00 0.00 H new ATOM 0 HB VAL A 7 11.601 1.320 11.085 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.777 2.052 12.598 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.275 0.650 11.625 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.734 0.431 13.331 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.167 2.301 13.295 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.124 0.679 14.026 1.00 0.00 H new ATOM 0 HG23 VAL A 7 13.366 1.077 12.815 1.00 0.00 H new ATOM 104 N CYS A 8 10.683 -0.821 9.505 1.00 0.00 N ATOM 105 CA CYS A 8 9.703 -1.296 8.486 1.00 0.00 C ATOM 106 C CYS A 8 9.858 -2.812 8.301 1.00 0.00 C ATOM 107 O CYS A 8 8.892 -3.543 8.235 1.00 0.00 O ATOM 108 CB CYS A 8 9.947 -0.564 7.155 1.00 0.00 C ATOM 109 SG CYS A 8 11.251 -1.386 6.199 1.00 0.00 S ATOM 0 H CYS A 8 11.386 -0.167 9.162 1.00 0.00 H new ATOM 0 HA CYS A 8 8.688 -1.082 8.821 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.025 -0.538 6.574 1.00 0.00 H new ATOM 0 HB3 CYS A 8 10.230 0.471 7.350 1.00 0.00 H new ATOM 114 N GLU A 9 11.074 -3.281 8.208 1.00 0.00 N ATOM 115 CA GLU A 9 11.299 -4.764 8.014 1.00 0.00 C ATOM 116 C GLU A 9 10.381 -5.557 8.954 1.00 0.00 C ATOM 117 O GLU A 9 9.721 -6.494 8.546 1.00 0.00 O ATOM 118 CB GLU A 9 12.772 -5.164 8.306 1.00 0.00 C ATOM 119 CG GLU A 9 12.957 -6.680 8.131 1.00 0.00 C ATOM 120 CD GLU A 9 12.603 -7.086 6.699 1.00 0.00 C ATOM 121 OE1 GLU A 9 11.428 -7.277 6.431 1.00 0.00 O ATOM 122 OE2 GLU A 9 13.515 -7.203 5.897 1.00 0.00 O ATOM 0 H GLU A 9 11.922 -2.716 8.256 1.00 0.00 H new ATOM 0 HA GLU A 9 11.074 -4.995 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.442 -4.629 7.633 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.041 -4.873 9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.988 -6.957 8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.324 -7.216 8.837 1.00 0.00 H new ATOM 129 N PHE A 10 10.355 -5.212 10.212 1.00 0.00 N ATOM 130 CA PHE A 10 9.506 -5.969 11.180 1.00 0.00 C ATOM 131 C PHE A 10 8.026 -5.596 11.024 1.00 0.00 C ATOM 132 O PHE A 10 7.164 -6.452 11.024 1.00 0.00 O ATOM 133 CB PHE A 10 9.962 -5.645 12.605 1.00 0.00 C ATOM 134 CG PHE A 10 9.134 -6.434 13.593 1.00 0.00 C ATOM 135 CD1 PHE A 10 9.331 -7.815 13.722 1.00 0.00 C ATOM 136 CD2 PHE A 10 8.171 -5.789 14.378 1.00 0.00 C ATOM 137 CE1 PHE A 10 8.566 -8.548 14.636 1.00 0.00 C ATOM 138 CE2 PHE A 10 7.406 -6.523 15.293 1.00 0.00 C ATOM 139 CZ PHE A 10 7.603 -7.903 15.422 1.00 0.00 C ATOM 0 H PHE A 10 10.885 -4.438 10.613 1.00 0.00 H new ATOM 0 HA PHE A 10 9.615 -7.035 10.979 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.018 -5.888 12.724 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.857 -4.577 12.798 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.073 -8.314 13.116 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.018 -4.725 14.278 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.718 -9.613 14.735 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.664 -6.024 15.899 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.013 -8.470 16.127 1.00 0.00 H new ATOM 149 N LEU A 11 7.718 -4.335 10.913 1.00 0.00 N ATOM 150 CA LEU A 11 6.287 -3.926 10.783 1.00 0.00 C ATOM 151 C LEU A 11 5.717 -4.388 9.439 1.00 0.00 C ATOM 152 O LEU A 11 4.670 -5.002 9.379 1.00 0.00 O ATOM 153 CB LEU A 11 6.179 -2.402 10.877 1.00 0.00 C ATOM 154 CG LEU A 11 6.729 -1.914 12.224 1.00 0.00 C ATOM 155 CD1 LEU A 11 6.736 -0.383 12.239 1.00 0.00 C ATOM 156 CD2 LEU A 11 5.850 -2.437 13.377 1.00 0.00 C ATOM 0 H LEU A 11 8.392 -3.569 10.906 1.00 0.00 H new ATOM 0 HA LEU A 11 5.718 -4.390 11.589 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.734 -1.940 10.060 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.138 -2.096 10.769 1.00 0.00 H new ATOM 0 HG LEU A 11 7.744 -2.290 12.356 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.126 -0.030 13.194 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.367 -0.014 11.431 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.720 -0.013 12.103 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.250 -2.085 14.328 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.831 -2.070 13.253 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.847 -3.527 13.366 1.00 0.00 H new ATOM 168 N VAL A 12 6.378 -4.080 8.359 1.00 0.00 N ATOM 169 CA VAL A 12 5.852 -4.481 7.024 1.00 0.00 C ATOM 170 C VAL A 12 5.729 -6.006 6.926 1.00 0.00 C ATOM 171 O VAL A 12 4.881 -6.506 6.223 1.00 0.00 O ATOM 172 CB VAL A 12 6.787 -3.973 5.926 1.00 0.00 C ATOM 173 CG1 VAL A 12 6.164 -4.249 4.558 1.00 0.00 C ATOM 174 CG2 VAL A 12 6.992 -2.464 6.090 1.00 0.00 C ATOM 0 H VAL A 12 7.260 -3.568 8.342 1.00 0.00 H new ATOM 0 HA VAL A 12 4.863 -4.041 6.896 1.00 0.00 H new ATOM 0 HB VAL A 12 7.746 -4.485 6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.830 -3.887 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.011 -5.322 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.205 -3.736 4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.658 -2.100 5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.031 -1.956 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.433 -2.261 7.066 1.00 0.00 H new ATOM 184 N LYS A 13 6.564 -6.746 7.613 1.00 0.00 N ATOM 185 CA LYS A 13 6.483 -8.239 7.543 1.00 0.00 C ATOM 186 C LYS A 13 5.373 -8.745 8.472 1.00 0.00 C ATOM 187 O LYS A 13 4.691 -9.706 8.172 1.00 0.00 O ATOM 188 CB LYS A 13 7.825 -8.827 7.977 1.00 0.00 C ATOM 189 CG LYS A 13 7.815 -10.378 7.850 1.00 0.00 C ATOM 190 CD LYS A 13 8.259 -11.034 9.168 1.00 0.00 C ATOM 191 CE LYS A 13 7.098 -11.026 10.164 1.00 0.00 C ATOM 192 NZ LYS A 13 7.548 -11.618 11.456 1.00 0.00 N ATOM 0 H LYS A 13 7.298 -6.381 8.219 1.00 0.00 H new ATOM 0 HA LYS A 13 6.256 -8.547 6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.625 -8.412 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.035 -8.543 9.008 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.814 -10.720 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.479 -10.686 7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.586 -12.057 8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.111 -10.497 9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.747 -10.006 10.322 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.258 -11.594 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.907 -11.318 12.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.539 -12.655 11.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.513 -11.294 11.669 1.00 0.00 H new ATOM 206 N GLU A 14 5.178 -8.108 9.597 1.00 0.00 N ATOM 207 CA GLU A 14 4.099 -8.559 10.525 1.00 0.00 C ATOM 208 C GLU A 14 2.750 -8.202 9.904 1.00 0.00 C ATOM 209 O GLU A 14 1.940 -9.055 9.588 1.00 0.00 O ATOM 210 CB GLU A 14 4.245 -7.841 11.872 1.00 0.00 C ATOM 211 CG GLU A 14 5.432 -8.423 12.643 1.00 0.00 C ATOM 212 CD GLU A 14 5.100 -9.845 13.099 1.00 0.00 C ATOM 213 OE1 GLU A 14 3.964 -10.074 13.479 1.00 0.00 O ATOM 214 OE2 GLU A 14 5.988 -10.681 13.059 1.00 0.00 O ATOM 0 H GLU A 14 5.715 -7.300 9.912 1.00 0.00 H new ATOM 0 HA GLU A 14 4.169 -9.635 10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.392 -6.773 11.711 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.331 -7.953 12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.320 -8.431 12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.660 -7.797 13.506 1.00 0.00 H new ATOM 221 N VAL A 15 2.511 -6.936 9.704 1.00 0.00 N ATOM 222 CA VAL A 15 1.232 -6.497 9.079 1.00 0.00 C ATOM 223 C VAL A 15 0.919 -7.423 7.908 1.00 0.00 C ATOM 224 O VAL A 15 -0.200 -7.836 7.720 1.00 0.00 O ATOM 225 CB VAL A 15 1.368 -5.049 8.602 1.00 0.00 C ATOM 226 CG1 VAL A 15 2.306 -4.979 7.394 1.00 0.00 C ATOM 227 CG2 VAL A 15 -0.013 -4.517 8.217 1.00 0.00 C ATOM 0 H VAL A 15 3.152 -6.181 9.949 1.00 0.00 H new ATOM 0 HA VAL A 15 0.418 -6.546 9.802 1.00 0.00 H new ATOM 0 HB VAL A 15 1.785 -4.441 9.405 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.396 -3.945 7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.289 -5.357 7.674 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.902 -5.586 6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.076 -3.486 7.876 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.428 -5.129 7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.673 -4.557 9.084 1.00 0.00 H new ATOM 237 N THR A 16 1.917 -7.793 7.151 1.00 0.00 N ATOM 238 CA THR A 16 1.676 -8.734 6.028 1.00 0.00 C ATOM 239 C THR A 16 0.972 -9.970 6.591 1.00 0.00 C ATOM 240 O THR A 16 0.010 -10.452 6.038 1.00 0.00 O ATOM 241 CB THR A 16 3.029 -9.131 5.401 1.00 0.00 C ATOM 242 OG1 THR A 16 4.058 -8.611 6.205 1.00 0.00 O ATOM 243 CG2 THR A 16 3.145 -8.558 3.990 1.00 0.00 C ATOM 0 H THR A 16 2.883 -7.484 7.263 1.00 0.00 H new ATOM 0 HA THR A 16 1.056 -8.272 5.259 1.00 0.00 H new ATOM 0 HB THR A 16 3.103 -10.217 5.342 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.350 -7.748 5.845 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.104 -8.845 3.558 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.337 -8.948 3.371 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.077 -7.471 4.032 1.00 0.00 H new ATOM 251 N LYS A 17 1.450 -10.481 7.700 1.00 0.00 N ATOM 252 CA LYS A 17 0.810 -11.683 8.310 1.00 0.00 C ATOM 253 C LYS A 17 -0.705 -11.490 8.314 1.00 0.00 C ATOM 254 O LYS A 17 -1.461 -12.420 8.118 1.00 0.00 O ATOM 255 CB LYS A 17 1.310 -11.871 9.746 1.00 0.00 C ATOM 256 CG LYS A 17 2.821 -12.123 9.727 1.00 0.00 C ATOM 257 CD LYS A 17 3.353 -12.277 11.163 1.00 0.00 C ATOM 258 CE LYS A 17 3.147 -13.715 11.655 1.00 0.00 C ATOM 259 NZ LYS A 17 3.820 -14.663 10.723 1.00 0.00 N ATOM 0 H LYS A 17 2.256 -10.116 8.207 1.00 0.00 H new ATOM 0 HA LYS A 17 1.069 -12.568 7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.085 -10.986 10.341 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.796 -12.710 10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.040 -13.023 9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.329 -11.296 9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.412 -12.023 11.195 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.838 -11.581 11.826 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.553 -13.828 12.660 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.082 -13.941 11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.085 -15.527 11.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.171 -14.908 9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.674 -14.217 10.331 1.00 0.00 H new ATOM 273 N LEU A 18 -1.152 -10.276 8.514 1.00 0.00 N ATOM 274 CA LEU A 18 -2.634 -10.008 8.503 1.00 0.00 C ATOM 275 C LEU A 18 -3.027 -9.547 7.098 1.00 0.00 C ATOM 276 O LEU A 18 -3.887 -10.114 6.457 1.00 0.00 O ATOM 277 CB LEU A 18 -3.017 -8.921 9.547 1.00 0.00 C ATOM 278 CG LEU A 18 -1.855 -8.662 10.502 1.00 0.00 C ATOM 279 CD1 LEU A 18 -2.197 -7.456 11.374 1.00 0.00 C ATOM 280 CD2 LEU A 18 -1.635 -9.904 11.380 1.00 0.00 C ATOM 0 H LEU A 18 -0.564 -9.460 8.684 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.168 -10.921 8.769 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.288 -7.997 9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.893 -9.242 10.110 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.942 -8.458 9.942 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.375 -7.259 12.062 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.357 -6.583 10.741 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.104 -7.663 11.942 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.806 -9.724 12.064 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.539 -10.110 11.952 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.404 -10.761 10.747 1.00 0.00 H new ATOM 292 N ILE A 19 -2.385 -8.530 6.609 1.00 0.00 N ATOM 293 CA ILE A 19 -2.688 -8.033 5.250 1.00 0.00 C ATOM 294 C ILE A 19 -2.627 -9.225 4.287 1.00 0.00 C ATOM 295 O ILE A 19 -3.190 -9.200 3.210 1.00 0.00 O ATOM 296 CB ILE A 19 -1.617 -6.971 4.906 1.00 0.00 C ATOM 297 CG1 ILE A 19 -2.185 -5.555 5.052 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.063 -7.141 3.487 1.00 0.00 C ATOM 299 CD1 ILE A 19 -1.040 -4.526 5.054 1.00 0.00 C ATOM 0 H ILE A 19 -1.654 -8.017 7.102 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.678 -7.582 5.177 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.801 -7.118 5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.873 -5.344 4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.757 -5.477 5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.315 -6.372 3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.605 -8.125 3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.875 -7.047 2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.453 -3.523 5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.369 -4.730 5.888 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.487 -4.595 4.117 1.00 0.00 H new ATOM 311 N ASP A 20 -1.937 -10.266 4.676 1.00 0.00 N ATOM 312 CA ASP A 20 -1.822 -11.461 3.799 1.00 0.00 C ATOM 313 C ASP A 20 -3.213 -11.820 3.263 1.00 0.00 C ATOM 314 O ASP A 20 -3.447 -11.820 2.071 1.00 0.00 O ATOM 315 CB ASP A 20 -1.263 -12.641 4.603 1.00 0.00 C ATOM 316 CG ASP A 20 -1.345 -13.922 3.769 1.00 0.00 C ATOM 317 OD1 ASP A 20 -1.027 -13.862 2.593 1.00 0.00 O ATOM 318 OD2 ASP A 20 -1.725 -14.942 4.321 1.00 0.00 O ATOM 0 H ASP A 20 -1.447 -10.336 5.568 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.149 -11.244 2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.228 -12.444 4.883 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.826 -12.762 5.528 1.00 0.00 H new ATOM 323 N ASN A 21 -4.146 -12.113 4.141 1.00 0.00 N ATOM 324 CA ASN A 21 -5.520 -12.458 3.676 1.00 0.00 C ATOM 325 C ASN A 21 -6.547 -12.203 4.779 1.00 0.00 C ATOM 326 O ASN A 21 -7.468 -12.973 4.970 1.00 0.00 O ATOM 327 CB ASN A 21 -5.581 -13.926 3.259 1.00 0.00 C ATOM 328 CG ASN A 21 -4.519 -14.205 2.194 1.00 0.00 C ATOM 329 OD1 ASN A 21 -3.478 -14.760 2.488 1.00 0.00 O ATOM 330 ND2 ASN A 21 -4.737 -13.840 0.961 1.00 0.00 N ATOM 0 H ASN A 21 -4.012 -12.127 5.152 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.756 -11.825 2.821 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.418 -14.567 4.125 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.571 -14.162 2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.034 -14.020 0.244 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.610 -13.374 0.714 1.00 0.00 H new ATOM 337 N ASN A 22 -6.422 -11.114 5.486 1.00 0.00 N ATOM 338 CA ASN A 22 -7.415 -10.790 6.553 1.00 0.00 C ATOM 339 C ASN A 22 -8.436 -9.827 5.960 1.00 0.00 C ATOM 340 O ASN A 22 -9.617 -10.104 5.901 1.00 0.00 O ATOM 341 CB ASN A 22 -6.708 -10.122 7.730 1.00 0.00 C ATOM 342 CG ASN A 22 -5.707 -11.099 8.345 1.00 0.00 C ATOM 343 OD1 ASN A 22 -5.008 -11.883 7.567 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -5.558 -11.152 9.549 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.673 -10.431 5.372 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.903 -11.698 6.908 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.194 -9.221 7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.438 -9.813 8.479 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.103 -10.541 10.158 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.888 -11.808 9.952 1.00 0.00 H new ATOM 351 N LYS A 23 -7.972 -8.702 5.493 1.00 0.00 N ATOM 352 CA LYS A 23 -8.883 -7.706 4.864 1.00 0.00 C ATOM 353 C LYS A 23 -8.899 -7.969 3.357 1.00 0.00 C ATOM 354 O LYS A 23 -7.876 -7.949 2.702 1.00 0.00 O ATOM 355 CB LYS A 23 -8.368 -6.292 5.168 1.00 0.00 C ATOM 356 CG LYS A 23 -6.977 -6.072 4.524 1.00 0.00 C ATOM 357 CD LYS A 23 -7.122 -5.335 3.179 1.00 0.00 C ATOM 358 CE LYS A 23 -5.935 -5.669 2.268 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.843 -4.655 1.183 1.00 0.00 N ATOM 0 H LYS A 23 -6.990 -8.427 5.521 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.896 -7.793 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.073 -5.552 4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.303 -6.146 6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.344 -5.494 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.484 -7.032 4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.055 -5.624 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.170 -4.259 3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.011 -5.683 2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.059 -6.664 1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.913 -4.723 0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.591 -4.829 0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.961 -3.704 1.586 1.00 0.00 H new ATOM 373 N THR A 24 -10.048 -8.247 2.804 1.00 0.00 N ATOM 374 CA THR A 24 -10.124 -8.538 1.342 1.00 0.00 C ATOM 375 C THR A 24 -10.279 -7.234 0.552 1.00 0.00 C ATOM 376 O THR A 24 -10.115 -6.152 1.081 1.00 0.00 O ATOM 377 CB THR A 24 -11.316 -9.461 1.072 1.00 0.00 C ATOM 378 OG1 THR A 24 -12.450 -8.988 1.786 1.00 0.00 O ATOM 379 CG2 THR A 24 -10.975 -10.882 1.533 1.00 0.00 C ATOM 0 H THR A 24 -10.938 -8.285 3.301 1.00 0.00 H new ATOM 0 HA THR A 24 -9.205 -9.030 1.023 1.00 0.00 H new ATOM 0 HB THR A 24 -11.537 -9.470 0.005 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.214 -9.576 1.613 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.823 -11.540 1.341 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.104 -11.243 0.986 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.755 -10.875 2.601 1.00 0.00 H new ATOM 387 N GLU A 25 -10.572 -7.332 -0.719 1.00 0.00 N ATOM 388 CA GLU A 25 -10.714 -6.107 -1.565 1.00 0.00 C ATOM 389 C GLU A 25 -12.169 -5.623 -1.574 1.00 0.00 C ATOM 390 O GLU A 25 -12.551 -4.807 -2.389 1.00 0.00 O ATOM 391 CB GLU A 25 -10.276 -6.427 -3.000 1.00 0.00 C ATOM 392 CG GLU A 25 -9.058 -7.362 -2.975 1.00 0.00 C ATOM 393 CD GLU A 25 -9.512 -8.799 -2.705 1.00 0.00 C ATOM 394 OE1 GLU A 25 -10.272 -9.318 -3.505 1.00 0.00 O ATOM 395 OE2 GLU A 25 -9.091 -9.353 -1.704 1.00 0.00 O ATOM 0 H GLU A 25 -10.720 -8.213 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.085 -5.319 -1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.095 -6.897 -3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.029 -5.506 -3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.529 -7.311 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.358 -7.041 -2.204 1.00 0.00 H new ATOM 402 N LYS A 26 -12.984 -6.113 -0.682 1.00 0.00 N ATOM 403 CA LYS A 26 -14.404 -5.676 -0.653 1.00 0.00 C ATOM 404 C LYS A 26 -14.497 -4.396 0.166 1.00 0.00 C ATOM 405 O LYS A 26 -15.087 -3.417 -0.249 1.00 0.00 O ATOM 406 CB LYS A 26 -15.263 -6.777 -0.016 1.00 0.00 C ATOM 407 CG LYS A 26 -14.737 -8.142 -0.447 1.00 0.00 C ATOM 408 CD LYS A 26 -14.702 -8.212 -1.974 1.00 0.00 C ATOM 409 CE LYS A 26 -14.443 -9.651 -2.400 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.566 -9.763 -3.881 1.00 0.00 N ATOM 0 H LYS A 26 -12.726 -6.798 0.028 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.767 -5.491 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.237 -6.691 1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.304 -6.663 -0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.738 -8.304 -0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.375 -8.932 -0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.647 -7.861 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.921 -7.558 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.447 -9.961 -2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.155 -10.319 -1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.389 -10.746 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.525 -9.484 -4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.870 -9.138 -4.335 1.00 0.00 H new ATOM 424 N GLU A 27 -13.906 -4.392 1.327 1.00 0.00 N ATOM 425 CA GLU A 27 -13.953 -3.171 2.167 1.00 0.00 C ATOM 426 C GLU A 27 -12.993 -2.125 1.590 1.00 0.00 C ATOM 427 O GLU A 27 -13.006 -0.975 1.982 1.00 0.00 O ATOM 428 CB GLU A 27 -13.575 -3.509 3.618 1.00 0.00 C ATOM 429 CG GLU A 27 -12.083 -3.828 3.720 1.00 0.00 C ATOM 430 CD GLU A 27 -11.776 -4.389 5.110 1.00 0.00 C ATOM 431 OE1 GLU A 27 -11.510 -3.600 6.000 1.00 0.00 O ATOM 432 OE2 GLU A 27 -11.813 -5.600 5.259 1.00 0.00 O ATOM 0 H GLU A 27 -13.395 -5.179 1.727 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.965 -2.767 2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.819 -2.670 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.160 -4.361 3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.801 -4.551 2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.495 -2.928 3.541 1.00 0.00 H new ATOM 439 N ILE A 28 -12.166 -2.512 0.650 1.00 0.00 N ATOM 440 CA ILE A 28 -11.218 -1.541 0.041 1.00 0.00 C ATOM 441 C ILE A 28 -11.931 -0.774 -1.070 1.00 0.00 C ATOM 442 O ILE A 28 -12.237 0.394 -0.936 1.00 0.00 O ATOM 443 CB ILE A 28 -10.036 -2.293 -0.573 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.240 -3.034 0.515 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.128 -1.303 -1.302 1.00 0.00 C ATOM 446 CD1 ILE A 28 -8.760 -2.067 1.605 1.00 0.00 C ATOM 0 H ILE A 28 -12.110 -3.461 0.281 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.864 -0.855 0.810 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.416 -3.030 -1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.863 -3.809 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.382 -3.534 0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.285 -1.837 -1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.692 -0.805 -2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.759 -0.560 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.200 -2.619 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.117 -1.307 1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.621 -1.587 2.070 1.00 0.00 H new ATOM 458 N LEU A 29 -12.192 -1.425 -2.177 1.00 0.00 N ATOM 459 CA LEU A 29 -12.880 -0.734 -3.304 1.00 0.00 C ATOM 460 C LEU A 29 -14.079 0.040 -2.758 1.00 0.00 C ATOM 461 O LEU A 29 -14.475 1.057 -3.295 1.00 0.00 O ATOM 462 CB LEU A 29 -13.346 -1.769 -4.335 1.00 0.00 C ATOM 463 CG LEU A 29 -12.130 -2.533 -4.894 1.00 0.00 C ATOM 464 CD1 LEU A 29 -12.593 -3.852 -5.518 1.00 0.00 C ATOM 465 CD2 LEU A 29 -11.415 -1.696 -5.967 1.00 0.00 C ATOM 0 H LEU A 29 -11.958 -2.403 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.192 -0.041 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.045 -2.467 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.880 -1.273 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.439 -2.730 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.731 -4.390 -5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.085 -4.461 -4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.293 -3.646 -6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.559 -2.251 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.106 -1.484 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.073 -0.758 -5.529 1.00 0.00 H new ATOM 477 N ASP A 30 -14.643 -0.416 -1.672 1.00 0.00 N ATOM 478 CA ASP A 30 -15.793 0.315 -1.077 1.00 0.00 C ATOM 479 C ASP A 30 -15.254 1.595 -0.443 1.00 0.00 C ATOM 480 O ASP A 30 -15.760 2.684 -0.662 1.00 0.00 O ATOM 481 CB ASP A 30 -16.460 -0.553 -0.007 1.00 0.00 C ATOM 482 CG ASP A 30 -17.145 -1.747 -0.672 1.00 0.00 C ATOM 483 OD1 ASP A 30 -16.674 -2.173 -1.713 1.00 0.00 O ATOM 484 OD2 ASP A 30 -18.133 -2.216 -0.129 1.00 0.00 O ATOM 0 H ASP A 30 -14.357 -1.259 -1.175 1.00 0.00 H new ATOM 0 HA ASP A 30 -16.533 0.551 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.716 -0.900 0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.190 0.035 0.550 1.00 0.00 H new ATOM 489 N ALA A 31 -14.203 1.476 0.326 1.00 0.00 N ATOM 490 CA ALA A 31 -13.605 2.682 0.958 1.00 0.00 C ATOM 491 C ALA A 31 -13.458 3.765 -0.100 1.00 0.00 C ATOM 492 O ALA A 31 -13.929 4.867 0.065 1.00 0.00 O ATOM 493 CB ALA A 31 -12.234 2.343 1.530 1.00 0.00 C ATOM 0 H ALA A 31 -13.736 0.595 0.542 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.249 3.030 1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.802 3.231 1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.336 1.558 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.581 1.996 0.729 1.00 0.00 H new ATOM 499 N PHE A 32 -12.828 3.459 -1.201 1.00 0.00 N ATOM 500 CA PHE A 32 -12.683 4.485 -2.266 1.00 0.00 C ATOM 501 C PHE A 32 -14.056 5.094 -2.548 1.00 0.00 C ATOM 502 O PHE A 32 -14.182 6.280 -2.747 1.00 0.00 O ATOM 503 CB PHE A 32 -12.108 3.845 -3.537 1.00 0.00 C ATOM 504 CG PHE A 32 -10.626 3.607 -3.352 1.00 0.00 C ATOM 505 CD1 PHE A 32 -9.712 4.636 -3.608 1.00 0.00 C ATOM 506 CD2 PHE A 32 -10.166 2.356 -2.920 1.00 0.00 C ATOM 507 CE1 PHE A 32 -8.340 4.415 -3.434 1.00 0.00 C ATOM 508 CE2 PHE A 32 -8.796 2.135 -2.747 1.00 0.00 C ATOM 509 CZ PHE A 32 -7.883 3.164 -3.004 1.00 0.00 C ATOM 0 H PHE A 32 -12.412 2.551 -1.406 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.998 5.267 -1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.616 2.903 -3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.279 4.496 -4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.065 5.601 -3.940 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.870 1.562 -2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.635 5.209 -3.631 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.442 1.170 -2.415 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.825 2.993 -2.870 1.00 0.00 H new ATOM 519 N ASP A 33 -15.095 4.305 -2.536 1.00 0.00 N ATOM 520 CA ASP A 33 -16.443 4.881 -2.781 1.00 0.00 C ATOM 521 C ASP A 33 -16.771 5.857 -1.653 1.00 0.00 C ATOM 522 O ASP A 33 -17.759 6.560 -1.697 1.00 0.00 O ATOM 523 CB ASP A 33 -17.488 3.763 -2.822 1.00 0.00 C ATOM 524 CG ASP A 33 -16.969 2.610 -3.682 1.00 0.00 C ATOM 525 OD1 ASP A 33 -15.877 2.734 -4.209 1.00 0.00 O ATOM 526 OD2 ASP A 33 -17.675 1.621 -3.800 1.00 0.00 O ATOM 0 H ASP A 33 -15.069 3.299 -2.369 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.453 5.403 -3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.699 3.411 -1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.425 4.142 -3.230 1.00 0.00 H new ATOM 531 N LYS A 34 -15.945 5.893 -0.634 1.00 0.00 N ATOM 532 CA LYS A 34 -16.186 6.818 0.524 1.00 0.00 C ATOM 533 C LYS A 34 -15.211 8.005 0.482 1.00 0.00 C ATOM 534 O LYS A 34 -15.603 9.129 0.239 1.00 0.00 O ATOM 535 CB LYS A 34 -15.977 6.053 1.837 1.00 0.00 C ATOM 536 CG LYS A 34 -16.812 4.770 1.822 1.00 0.00 C ATOM 537 CD LYS A 34 -16.538 3.950 3.099 1.00 0.00 C ATOM 538 CE LYS A 34 -16.820 2.463 2.852 1.00 0.00 C ATOM 539 NZ LYS A 34 -18.290 2.246 2.745 1.00 0.00 N ATOM 0 H LYS A 34 -15.107 5.317 -0.553 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.207 7.193 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.922 5.811 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.265 6.677 2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.872 5.016 1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.569 4.178 0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.501 4.083 3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.163 4.315 3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.326 2.136 1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.412 1.865 3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.481 1.237 2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.750 2.543 3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.667 2.806 1.954 1.00 0.00 H new ATOM 553 N MET A 35 -13.946 7.779 0.732 1.00 0.00 N ATOM 554 CA MET A 35 -12.974 8.918 0.716 1.00 0.00 C ATOM 555 C MET A 35 -13.041 9.602 -0.646 1.00 0.00 C ATOM 556 O MET A 35 -13.183 10.805 -0.749 1.00 0.00 O ATOM 557 CB MET A 35 -11.533 8.425 0.941 1.00 0.00 C ATOM 558 CG MET A 35 -11.455 7.421 2.105 1.00 0.00 C ATOM 559 SD MET A 35 -10.074 6.280 1.816 1.00 0.00 S ATOM 560 CE MET A 35 -10.756 5.454 0.352 1.00 0.00 C ATOM 0 H MET A 35 -13.546 6.865 0.945 1.00 0.00 H new ATOM 0 HA MET A 35 -13.239 9.607 1.518 1.00 0.00 H new ATOM 0 HB2 MET A 35 -11.161 7.957 0.030 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.885 9.276 1.149 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.315 7.949 3.048 1.00 0.00 H new ATOM 0 HG3 MET A 35 -12.390 6.866 2.186 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.715 4.374 0.492 1.00 0.00 H new ATOM 0 HE2 MET A 35 -11.792 5.763 0.209 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.171 5.729 -0.526 1.00 0.00 H new ATOM 570 N CYS A 36 -12.939 8.833 -1.691 1.00 0.00 N ATOM 571 CA CYS A 36 -12.994 9.411 -3.057 1.00 0.00 C ATOM 572 C CYS A 36 -14.378 10.033 -3.275 1.00 0.00 C ATOM 573 O CYS A 36 -14.683 10.547 -4.332 1.00 0.00 O ATOM 574 CB CYS A 36 -12.733 8.284 -4.067 1.00 0.00 C ATOM 575 SG CYS A 36 -11.951 8.963 -5.549 1.00 0.00 S ATOM 0 H CYS A 36 -12.819 7.821 -1.656 1.00 0.00 H new ATOM 0 HA CYS A 36 -12.241 10.188 -3.187 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.091 7.524 -3.621 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -13.671 7.794 -4.331 1.00 0.00 H new ATOM 580 N SER A 37 -15.216 9.991 -2.268 1.00 0.00 N ATOM 581 CA SER A 37 -16.581 10.577 -2.392 1.00 0.00 C ATOM 582 C SER A 37 -16.546 12.049 -1.974 1.00 0.00 C ATOM 583 O SER A 37 -17.142 12.901 -2.604 1.00 0.00 O ATOM 584 CB SER A 37 -17.545 9.823 -1.474 1.00 0.00 C ATOM 585 OG SER A 37 -17.536 10.423 -0.185 1.00 0.00 O ATOM 0 H SER A 37 -15.009 9.573 -1.361 1.00 0.00 H new ATOM 0 HA SER A 37 -16.915 10.495 -3.426 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.552 9.844 -1.890 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.252 8.776 -1.402 1.00 0.00 H new ATOM 0 HG SER A 37 -16.718 10.166 0.290 1.00 0.00 H new ATOM 591 N LYS A 38 -15.862 12.349 -0.900 1.00 0.00 N ATOM 592 CA LYS A 38 -15.795 13.761 -0.414 1.00 0.00 C ATOM 593 C LYS A 38 -14.561 14.466 -0.984 1.00 0.00 C ATOM 594 O LYS A 38 -14.081 15.426 -0.414 1.00 0.00 O ATOM 595 CB LYS A 38 -15.709 13.761 1.115 1.00 0.00 C ATOM 596 CG LYS A 38 -14.387 13.122 1.551 1.00 0.00 C ATOM 597 CD LYS A 38 -14.418 12.851 3.056 1.00 0.00 C ATOM 598 CE LYS A 38 -13.001 12.552 3.547 1.00 0.00 C ATOM 599 NZ LYS A 38 -13.012 12.388 5.028 1.00 0.00 N ATOM 0 H LYS A 38 -15.345 11.674 -0.336 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.689 14.291 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.775 14.781 1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.549 13.209 1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.225 12.191 1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.555 13.783 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.823 13.714 3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.075 12.008 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.624 11.646 3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.329 13.362 3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.048 12.185 5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.355 13.264 5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.641 11.601 5.285 1.00 0.00 H new ATOM 613 N LEU A 39 -14.049 14.015 -2.105 1.00 0.00 N ATOM 614 CA LEU A 39 -12.855 14.669 -2.719 1.00 0.00 C ATOM 615 C LEU A 39 -13.382 15.307 -4.032 1.00 0.00 C ATOM 616 O LEU A 39 -14.362 14.832 -4.569 1.00 0.00 O ATOM 617 CB LEU A 39 -11.770 13.554 -2.885 1.00 0.00 C ATOM 618 CG LEU A 39 -11.343 13.370 -4.338 1.00 0.00 C ATOM 619 CD1 LEU A 39 -10.029 12.560 -4.402 1.00 0.00 C ATOM 620 CD2 LEU A 39 -12.455 12.644 -5.101 1.00 0.00 C ATOM 0 H LEU A 39 -14.412 13.215 -2.623 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.378 15.460 -2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.898 13.807 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.160 12.611 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.171 14.344 -4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.730 12.433 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.246 13.093 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.182 11.582 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.155 12.510 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.632 11.670 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.370 13.235 -5.061 1.00 0.00 H new ATOM 632 N PRO A 40 -12.800 16.405 -4.486 1.00 0.00 N ATOM 633 CA PRO A 40 -13.323 17.098 -5.683 1.00 0.00 C ATOM 634 C PRO A 40 -13.715 16.114 -6.796 1.00 0.00 C ATOM 635 O PRO A 40 -13.015 15.164 -7.085 1.00 0.00 O ATOM 636 CB PRO A 40 -12.192 18.054 -6.110 1.00 0.00 C ATOM 637 CG PRO A 40 -11.162 18.096 -4.942 1.00 0.00 C ATOM 638 CD PRO A 40 -11.595 17.039 -3.897 1.00 0.00 C ATOM 0 HA PRO A 40 -14.245 17.639 -5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.719 17.705 -7.028 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.586 19.050 -6.312 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.158 17.883 -5.309 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.133 19.089 -4.493 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -10.806 16.307 -3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -11.819 17.501 -2.935 1.00 0.00 H new ATOM 646 N LYS A 41 -14.845 16.355 -7.417 1.00 0.00 N ATOM 647 CA LYS A 41 -15.323 15.466 -8.513 1.00 0.00 C ATOM 648 C LYS A 41 -14.196 15.227 -9.508 1.00 0.00 C ATOM 649 O LYS A 41 -13.853 14.107 -9.820 1.00 0.00 O ATOM 650 CB LYS A 41 -16.496 16.141 -9.220 1.00 0.00 C ATOM 651 CG LYS A 41 -17.042 15.228 -10.313 1.00 0.00 C ATOM 652 CD LYS A 41 -18.303 15.867 -10.928 1.00 0.00 C ATOM 653 CE LYS A 41 -18.429 15.455 -12.394 1.00 0.00 C ATOM 654 NZ LYS A 41 -19.709 15.977 -12.951 1.00 0.00 N ATOM 0 H LYS A 41 -15.461 17.140 -7.206 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.641 14.509 -8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.282 16.370 -8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.174 17.088 -9.653 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.287 15.072 -11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.282 14.249 -9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.188 15.552 -10.375 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.247 16.953 -10.849 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.586 15.844 -12.965 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.399 14.369 -12.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -19.794 15.696 -13.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -20.508 15.585 -12.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -19.720 17.015 -12.881 1.00 0.00 H new ATOM 668 N SER A 42 -13.607 16.274 -9.997 1.00 0.00 N ATOM 669 CA SER A 42 -12.482 16.112 -10.961 1.00 0.00 C ATOM 670 C SER A 42 -11.492 15.114 -10.370 1.00 0.00 C ATOM 671 O SER A 42 -10.977 14.238 -11.039 1.00 0.00 O ATOM 672 CB SER A 42 -11.781 17.454 -11.143 1.00 0.00 C ATOM 673 OG SER A 42 -12.608 18.319 -11.911 1.00 0.00 O ATOM 0 H SER A 42 -13.853 17.238 -9.774 1.00 0.00 H new ATOM 0 HA SER A 42 -12.854 15.760 -11.923 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.571 17.902 -10.172 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.823 17.311 -11.642 1.00 0.00 H new ATOM 0 HG SER A 42 -12.159 19.182 -12.027 1.00 0.00 H new ATOM 679 N LEU A 43 -11.239 15.247 -9.105 1.00 0.00 N ATOM 680 CA LEU A 43 -10.301 14.327 -8.427 1.00 0.00 C ATOM 681 C LEU A 43 -11.028 13.007 -8.139 1.00 0.00 C ATOM 682 O LEU A 43 -10.435 12.076 -7.661 1.00 0.00 O ATOM 683 CB LEU A 43 -9.853 14.956 -7.093 1.00 0.00 C ATOM 684 CG LEU A 43 -8.637 15.887 -7.257 1.00 0.00 C ATOM 685 CD1 LEU A 43 -7.345 15.069 -7.296 1.00 0.00 C ATOM 686 CD2 LEU A 43 -8.758 16.740 -8.523 1.00 0.00 C ATOM 0 H LEU A 43 -11.648 15.964 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.432 14.146 -9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.682 15.519 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.607 14.164 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.609 16.558 -6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.493 15.739 -7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.241 14.508 -6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.378 14.376 -8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.885 17.387 -8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.817 16.090 -9.396 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.658 17.352 -8.465 1.00 0.00 H new ATOM 698 N SER A 44 -12.309 12.914 -8.419 1.00 0.00 N ATOM 699 CA SER A 44 -13.043 11.645 -8.140 1.00 0.00 C ATOM 700 C SER A 44 -12.945 10.781 -9.374 1.00 0.00 C ATOM 701 O SER A 44 -12.913 9.568 -9.302 1.00 0.00 O ATOM 702 CB SER A 44 -14.513 11.938 -7.807 1.00 0.00 C ATOM 703 OG SER A 44 -15.192 12.363 -8.981 1.00 0.00 O ATOM 0 H SER A 44 -12.872 13.661 -8.827 1.00 0.00 H new ATOM 0 HA SER A 44 -12.606 11.134 -7.282 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.990 11.045 -7.402 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.576 12.709 -7.039 1.00 0.00 H new ATOM 0 HG SER A 44 -14.578 12.878 -9.545 1.00 0.00 H new ATOM 709 N GLU A 45 -12.859 11.400 -10.515 1.00 0.00 N ATOM 710 CA GLU A 45 -12.723 10.614 -11.755 1.00 0.00 C ATOM 711 C GLU A 45 -11.262 10.186 -11.881 1.00 0.00 C ATOM 712 O GLU A 45 -10.943 9.214 -12.530 1.00 0.00 O ATOM 713 CB GLU A 45 -13.137 11.453 -12.969 1.00 0.00 C ATOM 714 CG GLU A 45 -12.425 12.804 -12.934 1.00 0.00 C ATOM 715 CD GLU A 45 -12.568 13.492 -14.294 1.00 0.00 C ATOM 716 OE1 GLU A 45 -12.031 12.970 -15.257 1.00 0.00 O ATOM 717 OE2 GLU A 45 -13.209 14.527 -14.347 1.00 0.00 O ATOM 0 H GLU A 45 -12.877 12.413 -10.636 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.372 9.739 -11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.888 10.925 -13.889 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.217 11.601 -12.969 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.851 13.431 -12.151 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.371 12.665 -12.694 1.00 0.00 H new ATOM 724 N GLU A 46 -10.372 10.916 -11.253 1.00 0.00 N ATOM 725 CA GLU A 46 -8.921 10.567 -11.324 1.00 0.00 C ATOM 726 C GLU A 46 -8.559 9.550 -10.229 1.00 0.00 C ATOM 727 O GLU A 46 -7.795 8.634 -10.462 1.00 0.00 O ATOM 728 CB GLU A 46 -8.082 11.837 -11.135 1.00 0.00 C ATOM 729 CG GLU A 46 -8.080 12.659 -12.427 1.00 0.00 C ATOM 730 CD GLU A 46 -7.145 13.859 -12.267 1.00 0.00 C ATOM 731 OE1 GLU A 46 -5.968 13.641 -12.030 1.00 0.00 O ATOM 732 OE2 GLU A 46 -7.623 14.976 -12.382 1.00 0.00 O ATOM 0 H GLU A 46 -10.590 11.740 -10.693 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.713 10.125 -12.298 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.487 12.432 -10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.061 11.571 -10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.755 12.040 -13.264 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.090 12.999 -12.656 1.00 0.00 H new ATOM 739 N CYS A 47 -9.084 9.697 -9.038 1.00 0.00 N ATOM 740 CA CYS A 47 -8.736 8.722 -7.959 1.00 0.00 C ATOM 741 C CYS A 47 -9.443 7.395 -8.248 1.00 0.00 C ATOM 742 O CYS A 47 -9.063 6.357 -7.747 1.00 0.00 O ATOM 743 CB CYS A 47 -9.141 9.295 -6.574 1.00 0.00 C ATOM 744 SG CYS A 47 -10.121 8.114 -5.602 1.00 0.00 S ATOM 0 H CYS A 47 -9.730 10.439 -8.768 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.660 8.548 -7.938 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.243 9.564 -6.018 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.715 10.211 -6.715 1.00 0.00 H new ATOM 749 N GLN A 48 -10.460 7.416 -9.066 1.00 0.00 N ATOM 750 CA GLN A 48 -11.179 6.161 -9.398 1.00 0.00 C ATOM 751 C GLN A 48 -10.508 5.554 -10.619 1.00 0.00 C ATOM 752 O GLN A 48 -10.545 4.360 -10.838 1.00 0.00 O ATOM 753 CB GLN A 48 -12.646 6.485 -9.709 1.00 0.00 C ATOM 754 CG GLN A 48 -13.435 6.604 -8.401 1.00 0.00 C ATOM 755 CD GLN A 48 -13.675 5.208 -7.822 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.440 4.974 -6.653 1.00 0.00 O ATOM 757 NE2 GLN A 48 -14.136 4.264 -8.596 1.00 0.00 N ATOM 0 H GLN A 48 -10.823 8.255 -9.519 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.147 5.460 -8.564 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -12.712 7.417 -10.271 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.077 5.704 -10.335 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.885 7.216 -7.686 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.387 7.103 -8.582 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.333 4.460 -9.577 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.299 3.330 -8.220 1.00 0.00 H new ATOM 766 N GLU A 49 -9.882 6.375 -11.415 1.00 0.00 N ATOM 767 CA GLU A 49 -9.200 5.850 -12.613 1.00 0.00 C ATOM 768 C GLU A 49 -8.027 4.976 -12.170 1.00 0.00 C ATOM 769 O GLU A 49 -7.868 3.854 -12.615 1.00 0.00 O ATOM 770 CB GLU A 49 -8.681 7.013 -13.465 1.00 0.00 C ATOM 771 CG GLU A 49 -8.312 6.512 -14.863 1.00 0.00 C ATOM 772 CD GLU A 49 -7.055 5.642 -14.785 1.00 0.00 C ATOM 773 OE1 GLU A 49 -5.988 6.197 -14.576 1.00 0.00 O ATOM 774 OE2 GLU A 49 -7.181 4.438 -14.937 1.00 0.00 O ATOM 0 H GLU A 49 -9.817 7.384 -11.282 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.899 5.260 -13.206 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.442 7.790 -13.537 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.810 7.463 -12.989 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.138 5.938 -15.284 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.140 7.358 -15.529 1.00 0.00 H new ATOM 781 N VAL A 50 -7.201 5.479 -11.292 1.00 0.00 N ATOM 782 CA VAL A 50 -6.043 4.671 -10.834 1.00 0.00 C ATOM 783 C VAL A 50 -6.538 3.464 -10.041 1.00 0.00 C ATOM 784 O VAL A 50 -6.050 2.376 -10.218 1.00 0.00 O ATOM 785 CB VAL A 50 -5.120 5.501 -9.952 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.836 4.704 -9.708 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.790 6.823 -10.651 1.00 0.00 C ATOM 0 H VAL A 50 -7.280 6.407 -10.877 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.489 4.339 -11.712 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.606 5.721 -9.001 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.162 5.284 -9.077 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.080 3.765 -9.211 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.351 4.495 -10.661 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.129 7.415 -10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.295 6.619 -11.600 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.710 7.378 -10.833 1.00 0.00 H new ATOM 797 N VAL A 51 -7.506 3.645 -9.173 1.00 0.00 N ATOM 798 CA VAL A 51 -8.035 2.487 -8.377 1.00 0.00 C ATOM 799 C VAL A 51 -8.209 1.288 -9.314 1.00 0.00 C ATOM 800 O VAL A 51 -7.684 0.220 -9.070 1.00 0.00 O ATOM 801 CB VAL A 51 -9.384 2.902 -7.759 1.00 0.00 C ATOM 802 CG1 VAL A 51 -10.184 1.671 -7.313 1.00 0.00 C ATOM 803 CG2 VAL A 51 -9.133 3.814 -6.544 1.00 0.00 C ATOM 0 H VAL A 51 -7.953 4.542 -8.981 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.348 2.209 -7.578 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.960 3.436 -8.515 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.132 1.990 -6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.376 1.030 -8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.613 1.117 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.087 4.108 -6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.543 3.277 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.591 4.704 -6.863 1.00 0.00 H new ATOM 813 N ASP A 52 -8.906 1.465 -10.401 1.00 0.00 N ATOM 814 CA ASP A 52 -9.063 0.341 -11.360 1.00 0.00 C ATOM 815 C ASP A 52 -7.664 -0.164 -11.718 1.00 0.00 C ATOM 816 O ASP A 52 -7.438 -1.348 -11.881 1.00 0.00 O ATOM 817 CB ASP A 52 -9.775 0.832 -12.622 1.00 0.00 C ATOM 818 CG ASP A 52 -11.191 1.286 -12.265 1.00 0.00 C ATOM 819 OD1 ASP A 52 -11.781 0.683 -11.383 1.00 0.00 O ATOM 820 OD2 ASP A 52 -11.663 2.229 -12.879 1.00 0.00 O ATOM 0 H ASP A 52 -9.370 2.334 -10.664 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.657 -0.459 -10.917 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.219 1.656 -13.069 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.814 0.035 -13.364 1.00 0.00 H new ATOM 825 N THR A 53 -6.715 0.735 -11.820 1.00 0.00 N ATOM 826 CA THR A 53 -5.319 0.322 -12.141 1.00 0.00 C ATOM 827 C THR A 53 -4.616 -0.145 -10.861 1.00 0.00 C ATOM 828 O THR A 53 -3.684 -0.924 -10.904 1.00 0.00 O ATOM 829 CB THR A 53 -4.572 1.479 -12.813 1.00 0.00 C ATOM 830 OG1 THR A 53 -5.240 1.818 -14.021 1.00 0.00 O ATOM 831 CG2 THR A 53 -3.133 1.063 -13.136 1.00 0.00 C ATOM 0 H THR A 53 -6.851 1.738 -11.694 1.00 0.00 H new ATOM 0 HA THR A 53 -5.330 -0.512 -12.842 1.00 0.00 H new ATOM 0 HB THR A 53 -4.552 2.334 -12.138 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.770 2.559 -14.458 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.613 1.893 -13.613 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.617 0.793 -12.215 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.144 0.207 -13.810 1.00 0.00 H new ATOM 839 N TYR A 54 -5.068 0.314 -9.720 1.00 0.00 N ATOM 840 CA TYR A 54 -4.455 -0.098 -8.419 1.00 0.00 C ATOM 841 C TYR A 54 -5.571 -0.525 -7.468 1.00 0.00 C ATOM 842 O TYR A 54 -5.916 0.193 -6.549 1.00 0.00 O ATOM 843 CB TYR A 54 -3.717 1.076 -7.781 1.00 0.00 C ATOM 844 CG TYR A 54 -2.464 1.386 -8.556 1.00 0.00 C ATOM 845 CD1 TYR A 54 -2.570 1.909 -9.835 1.00 0.00 C ATOM 846 CD2 TYR A 54 -1.204 1.183 -7.984 1.00 0.00 C ATOM 847 CE1 TYR A 54 -1.429 2.239 -10.562 1.00 0.00 C ATOM 848 CE2 TYR A 54 -0.050 1.503 -8.709 1.00 0.00 C ATOM 849 CZ TYR A 54 -0.162 2.035 -10.001 1.00 0.00 C ATOM 850 OH TYR A 54 0.973 2.361 -10.717 1.00 0.00 O ATOM 0 H TYR A 54 -5.847 0.966 -9.634 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.755 -0.913 -8.601 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.365 1.952 -7.757 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.465 0.838 -6.748 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.546 2.062 -10.272 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.121 0.780 -6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.521 2.651 -11.556 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.925 1.340 -8.274 1.00 0.00 H new ATOM 0 HH TYR A 54 1.768 2.157 -10.181 1.00 0.00 H new ATOM 860 N GLY A 55 -6.150 -1.676 -7.680 1.00 0.00 N ATOM 861 CA GLY A 55 -7.257 -2.143 -6.787 1.00 0.00 C ATOM 862 C GLY A 55 -7.113 -3.639 -6.510 1.00 0.00 C ATOM 863 O GLY A 55 -7.003 -4.056 -5.383 1.00 0.00 O ATOM 0 H GLY A 55 -5.905 -2.317 -8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.237 -1.588 -5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.221 -1.943 -7.255 1.00 0.00 H new ATOM 867 N SER A 56 -7.131 -4.455 -7.521 1.00 0.00 N ATOM 868 CA SER A 56 -7.004 -5.927 -7.289 1.00 0.00 C ATOM 869 C SER A 56 -5.524 -6.314 -7.211 1.00 0.00 C ATOM 870 O SER A 56 -5.170 -7.359 -6.701 1.00 0.00 O ATOM 871 CB SER A 56 -7.661 -6.676 -8.447 1.00 0.00 C ATOM 872 OG SER A 56 -6.698 -6.902 -9.470 1.00 0.00 O ATOM 0 H SER A 56 -7.228 -4.174 -8.497 1.00 0.00 H new ATOM 0 HA SER A 56 -7.495 -6.189 -6.352 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.066 -7.626 -8.097 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.497 -6.098 -8.841 1.00 0.00 H new ATOM 0 HG SER A 56 -7.117 -7.384 -10.213 1.00 0.00 H new ATOM 878 N SER A 57 -4.657 -5.476 -7.709 1.00 0.00 N ATOM 879 CA SER A 57 -3.195 -5.783 -7.668 1.00 0.00 C ATOM 880 C SER A 57 -2.606 -5.186 -6.399 1.00 0.00 C ATOM 881 O SER A 57 -2.270 -5.898 -5.483 1.00 0.00 O ATOM 882 CB SER A 57 -2.494 -5.172 -8.883 1.00 0.00 C ATOM 883 OG SER A 57 -2.902 -5.862 -10.057 1.00 0.00 O ATOM 0 H SER A 57 -4.898 -4.586 -8.146 1.00 0.00 H new ATOM 0 HA SER A 57 -3.051 -6.863 -7.682 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.741 -4.113 -8.965 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.412 -5.239 -8.765 1.00 0.00 H new ATOM 0 HG SER A 57 -2.456 -5.472 -10.837 1.00 0.00 H new ATOM 889 N ILE A 58 -2.496 -3.876 -6.346 1.00 0.00 N ATOM 890 CA ILE A 58 -1.943 -3.172 -5.139 1.00 0.00 C ATOM 891 C ILE A 58 -2.192 -3.998 -3.881 1.00 0.00 C ATOM 892 O ILE A 58 -1.322 -4.176 -3.051 1.00 0.00 O ATOM 893 CB ILE A 58 -2.654 -1.824 -5.013 1.00 0.00 C ATOM 894 CG1 ILE A 58 -2.077 -1.017 -3.835 1.00 0.00 C ATOM 895 CG2 ILE A 58 -4.153 -2.043 -4.796 1.00 0.00 C ATOM 896 CD1 ILE A 58 -2.989 0.182 -3.543 1.00 0.00 C ATOM 0 H ILE A 58 -2.772 -3.253 -7.105 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.868 -3.033 -5.251 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.498 -1.264 -5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.996 -1.650 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.071 -0.673 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.653 -1.078 -4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.567 -2.590 -5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.308 -2.617 -3.883 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.582 0.754 -2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.047 0.818 -4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.987 -0.174 -3.286 1.00 0.00 H new ATOM 908 N LEU A 59 -3.376 -4.507 -3.742 1.00 0.00 N ATOM 909 CA LEU A 59 -3.679 -5.336 -2.538 1.00 0.00 C ATOM 910 C LEU A 59 -3.104 -6.748 -2.731 1.00 0.00 C ATOM 911 O LEU A 59 -2.466 -7.285 -1.856 1.00 0.00 O ATOM 912 CB LEU A 59 -5.199 -5.469 -2.285 1.00 0.00 C ATOM 913 CG LEU A 59 -5.938 -4.187 -2.654 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.442 -4.468 -2.701 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.653 -3.084 -1.626 1.00 0.00 C ATOM 0 H LEU A 59 -4.146 -4.390 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.227 -4.835 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.595 -6.300 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.376 -5.704 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.592 -3.849 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.975 -3.554 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.646 -5.235 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.778 -4.815 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.189 -2.178 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.984 -3.411 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.583 -2.879 -1.600 1.00 0.00 H new ATOM 927 N SER A 60 -3.365 -7.361 -3.861 1.00 0.00 N ATOM 928 CA SER A 60 -2.876 -8.760 -4.097 1.00 0.00 C ATOM 929 C SER A 60 -1.406 -8.784 -4.529 1.00 0.00 C ATOM 930 O SER A 60 -0.860 -9.829 -4.824 1.00 0.00 O ATOM 931 CB SER A 60 -3.724 -9.405 -5.192 1.00 0.00 C ATOM 932 OG SER A 60 -5.101 -9.210 -4.897 1.00 0.00 O ATOM 0 H SER A 60 -3.896 -6.954 -4.631 1.00 0.00 H new ATOM 0 HA SER A 60 -2.963 -9.310 -3.160 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.482 -8.967 -6.160 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.502 -10.470 -5.260 1.00 0.00 H new ATOM 0 HG SER A 60 -5.381 -8.325 -5.212 1.00 0.00 H new ATOM 938 N ILE A 61 -0.772 -7.649 -4.604 1.00 0.00 N ATOM 939 CA ILE A 61 0.655 -7.596 -5.059 1.00 0.00 C ATOM 940 C ILE A 61 1.597 -7.518 -3.852 1.00 0.00 C ATOM 941 O ILE A 61 2.474 -8.342 -3.693 1.00 0.00 O ATOM 942 CB ILE A 61 0.781 -6.373 -6.002 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.830 -6.616 -7.099 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.101 -5.082 -5.246 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.248 -6.529 -6.540 1.00 0.00 C ATOM 0 H ILE A 61 -1.180 -6.744 -4.369 1.00 0.00 H new ATOM 0 HA ILE A 61 0.942 -8.498 -5.599 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.195 -6.248 -6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.672 -7.598 -7.545 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.705 -5.881 -7.894 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.179 -4.256 -5.953 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.306 -4.873 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.046 -5.196 -4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.966 -6.705 -7.341 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.412 -5.538 -6.117 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.379 -7.281 -5.762 1.00 0.00 H new ATOM 957 N LEU A 62 1.428 -6.550 -3.005 1.00 0.00 N ATOM 958 CA LEU A 62 2.323 -6.427 -1.816 1.00 0.00 C ATOM 959 C LEU A 62 2.246 -7.688 -0.953 1.00 0.00 C ATOM 960 O LEU A 62 2.836 -7.755 0.107 1.00 0.00 O ATOM 961 CB LEU A 62 1.925 -5.198 -1.000 1.00 0.00 C ATOM 962 CG LEU A 62 2.112 -3.942 -1.862 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.591 -2.718 -1.104 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.594 -3.749 -2.231 1.00 0.00 C ATOM 0 H LEU A 62 0.707 -5.832 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 62 3.352 -6.311 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.887 -5.281 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.535 -5.131 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 62 1.546 -4.062 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.724 -1.827 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.532 -2.851 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.145 -2.604 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.703 -2.853 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.185 -3.642 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.945 -4.615 -2.792 1.00 0.00 H new ATOM 976 N LEU A 63 1.515 -8.687 -1.386 1.00 0.00 N ATOM 977 CA LEU A 63 1.397 -9.936 -0.573 1.00 0.00 C ATOM 978 C LEU A 63 2.404 -10.999 -1.040 1.00 0.00 C ATOM 979 O LEU A 63 3.079 -11.605 -0.231 1.00 0.00 O ATOM 980 CB LEU A 63 -0.022 -10.520 -0.710 1.00 0.00 C ATOM 981 CG LEU A 63 -1.069 -9.419 -0.947 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.465 -10.023 -0.730 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.861 -8.223 0.014 1.00 0.00 C ATOM 0 H LEU A 63 0.997 -8.691 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 63 1.604 -9.675 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.046 -11.229 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.276 -11.075 0.193 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.965 -9.045 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.223 -9.257 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.620 -10.842 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.544 -10.399 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.618 -7.464 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.948 -8.565 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.130 -7.797 -0.145 1.00 0.00 H new ATOM 995 N GLU A 64 2.470 -11.274 -2.326 1.00 0.00 N ATOM 996 CA GLU A 64 3.394 -12.356 -2.820 1.00 0.00 C ATOM 997 C GLU A 64 4.269 -11.877 -3.968 1.00 0.00 C ATOM 998 O GLU A 64 5.480 -11.949 -3.894 1.00 0.00 O ATOM 999 CB GLU A 64 2.551 -13.523 -3.317 1.00 0.00 C ATOM 1000 CG GLU A 64 1.755 -14.117 -2.155 1.00 0.00 C ATOM 1001 CD GLU A 64 2.709 -14.812 -1.183 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.290 -15.813 -1.568 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.842 -14.332 -0.069 1.00 0.00 O ATOM 0 H GLU A 64 1.929 -10.801 -3.050 1.00 0.00 H new ATOM 0 HA GLU A 64 4.043 -12.649 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.872 -13.186 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.193 -14.286 -3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.203 -13.331 -1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.020 -14.829 -2.531 1.00 0.00 H new ATOM 1010 N GLU A 65 3.691 -11.391 -5.033 1.00 0.00 N ATOM 1011 CA GLU A 65 4.536 -10.916 -6.169 1.00 0.00 C ATOM 1012 C GLU A 65 5.591 -9.971 -5.614 1.00 0.00 C ATOM 1013 O GLU A 65 6.539 -9.593 -6.275 1.00 0.00 O ATOM 1014 CB GLU A 65 3.663 -10.186 -7.193 1.00 0.00 C ATOM 1015 CG GLU A 65 2.457 -11.056 -7.548 1.00 0.00 C ATOM 1016 CD GLU A 65 2.939 -12.395 -8.107 1.00 0.00 C ATOM 1017 OE1 GLU A 65 3.769 -12.377 -9.002 1.00 0.00 O ATOM 1018 OE2 GLU A 65 2.470 -13.416 -7.633 1.00 0.00 O ATOM 0 H GLU A 65 2.684 -11.302 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 65 5.015 -11.761 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.329 -9.231 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.243 -9.966 -8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.841 -11.220 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.832 -10.547 -8.282 1.00 0.00 H new ATOM 1025 N VAL A 66 5.399 -9.590 -4.393 1.00 0.00 N ATOM 1026 CA VAL A 66 6.320 -8.662 -3.707 1.00 0.00 C ATOM 1027 C VAL A 66 6.483 -9.107 -2.243 1.00 0.00 C ATOM 1028 O VAL A 66 5.517 -9.388 -1.561 1.00 0.00 O ATOM 1029 CB VAL A 66 5.654 -7.289 -3.786 1.00 0.00 C ATOM 1030 CG1 VAL A 66 6.053 -6.390 -2.622 1.00 0.00 C ATOM 1031 CG2 VAL A 66 6.011 -6.631 -5.106 1.00 0.00 C ATOM 0 H VAL A 66 4.611 -9.896 -3.822 1.00 0.00 H new ATOM 0 HA VAL A 66 7.312 -8.642 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 66 4.575 -7.434 -3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.556 -5.425 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.756 -6.857 -1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.133 -6.244 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.537 -5.651 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.093 -6.515 -5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.660 -7.253 -5.929 1.00 0.00 H new ATOM 1041 N SER A 67 7.693 -9.147 -1.750 1.00 0.00 N ATOM 1042 CA SER A 67 7.907 -9.543 -0.324 1.00 0.00 C ATOM 1043 C SER A 67 7.766 -8.275 0.539 1.00 0.00 C ATOM 1044 O SER A 67 7.878 -7.188 0.015 1.00 0.00 O ATOM 1045 CB SER A 67 9.313 -10.158 -0.172 1.00 0.00 C ATOM 1046 OG SER A 67 9.197 -11.441 0.429 1.00 0.00 O ATOM 0 H SER A 67 8.541 -8.923 -2.270 1.00 0.00 H new ATOM 0 HA SER A 67 7.176 -10.287 -0.006 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.794 -10.241 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.942 -9.512 0.440 1.00 0.00 H new ATOM 0 HG SER A 67 10.088 -11.838 0.527 1.00 0.00 H new ATOM 1052 N PRO A 68 7.523 -8.431 1.824 1.00 0.00 N ATOM 1053 CA PRO A 68 7.369 -7.266 2.722 1.00 0.00 C ATOM 1054 C PRO A 68 8.647 -6.405 2.701 1.00 0.00 C ATOM 1055 O PRO A 68 8.596 -5.193 2.585 1.00 0.00 O ATOM 1056 CB PRO A 68 7.116 -7.876 4.120 1.00 0.00 C ATOM 1057 CG PRO A 68 7.286 -9.417 3.992 1.00 0.00 C ATOM 1058 CD PRO A 68 7.391 -9.745 2.488 1.00 0.00 C ATOM 0 HA PRO A 68 6.555 -6.606 2.422 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.819 -7.471 4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.114 -7.628 4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.179 -9.750 4.521 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.438 -9.935 4.440 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.251 -10.381 2.281 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.508 -10.279 2.137 1.00 0.00 H new ATOM 1066 N GLU A 69 9.788 -7.026 2.820 1.00 0.00 N ATOM 1067 CA GLU A 69 11.062 -6.253 2.815 1.00 0.00 C ATOM 1068 C GLU A 69 11.195 -5.480 1.500 1.00 0.00 C ATOM 1069 O GLU A 69 11.603 -4.336 1.482 1.00 0.00 O ATOM 1070 CB GLU A 69 12.243 -7.223 2.973 1.00 0.00 C ATOM 1071 CG GLU A 69 13.574 -6.495 2.727 1.00 0.00 C ATOM 1072 CD GLU A 69 13.626 -5.202 3.545 1.00 0.00 C ATOM 1073 OE1 GLU A 69 13.149 -5.215 4.668 1.00 0.00 O ATOM 1074 OE2 GLU A 69 14.143 -4.221 3.036 1.00 0.00 O ATOM 0 H GLU A 69 9.893 -8.036 2.921 1.00 0.00 H new ATOM 0 HA GLU A 69 11.061 -5.544 3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.237 -7.653 3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.139 -8.050 2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.407 -7.142 3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.683 -6.268 1.666 1.00 0.00 H new ATOM 1081 N LEU A 70 10.855 -6.091 0.400 1.00 0.00 N ATOM 1082 CA LEU A 70 10.967 -5.385 -0.901 1.00 0.00 C ATOM 1083 C LEU A 70 10.206 -4.062 -0.816 1.00 0.00 C ATOM 1084 O LEU A 70 10.721 -3.019 -1.163 1.00 0.00 O ATOM 1085 CB LEU A 70 10.371 -6.269 -2.004 1.00 0.00 C ATOM 1086 CG LEU A 70 10.211 -5.467 -3.302 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.547 -4.820 -3.681 1.00 0.00 C ATOM 1088 CD2 LEU A 70 9.758 -6.407 -4.427 1.00 0.00 C ATOM 0 H LEU A 70 10.505 -7.048 0.348 1.00 0.00 H new ATOM 0 HA LEU A 70 12.013 -5.182 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.017 -7.130 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.403 -6.656 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 70 9.465 -4.686 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.427 -4.252 -4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.867 -4.151 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.298 -5.596 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.643 -5.840 -5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.504 -7.188 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.804 -6.861 -4.159 1.00 0.00 H new ATOM 1100 N VAL A 71 8.977 -4.097 -0.366 1.00 0.00 N ATOM 1101 CA VAL A 71 8.178 -2.839 -0.266 1.00 0.00 C ATOM 1102 C VAL A 71 9.045 -1.739 0.336 1.00 0.00 C ATOM 1103 O VAL A 71 9.163 -0.665 -0.212 1.00 0.00 O ATOM 1104 CB VAL A 71 6.947 -3.076 0.616 1.00 0.00 C ATOM 1105 CG1 VAL A 71 5.863 -2.044 0.296 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.410 -4.475 0.346 1.00 0.00 C ATOM 0 H VAL A 71 8.493 -4.942 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 71 7.847 -2.536 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 71 7.228 -2.978 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.993 -2.222 0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.248 -1.042 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.574 -2.132 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.533 -4.655 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.133 -4.562 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.179 -5.211 0.581 1.00 0.00 H new ATOM 1116 N CYS A 72 9.674 -2.001 1.452 1.00 0.00 N ATOM 1117 CA CYS A 72 10.548 -0.957 2.056 1.00 0.00 C ATOM 1118 C CYS A 72 11.480 -0.416 0.971 1.00 0.00 C ATOM 1119 O CYS A 72 11.808 0.754 0.943 1.00 0.00 O ATOM 1120 CB CYS A 72 11.377 -1.556 3.185 1.00 0.00 C ATOM 1121 SG CYS A 72 10.297 -2.055 4.548 1.00 0.00 S ATOM 0 H CYS A 72 9.621 -2.881 1.964 1.00 0.00 H new ATOM 0 HA CYS A 72 9.933 -0.154 2.462 1.00 0.00 H new ATOM 0 HB2 CYS A 72 11.936 -2.417 2.819 1.00 0.00 H new ATOM 0 HB3 CYS A 72 12.108 -0.828 3.537 1.00 0.00 H new ATOM 1126 N SER A 73 11.889 -1.260 0.059 1.00 0.00 N ATOM 1127 CA SER A 73 12.774 -0.790 -1.040 1.00 0.00 C ATOM 1128 C SER A 73 11.940 0.098 -1.970 1.00 0.00 C ATOM 1129 O SER A 73 12.252 1.254 -2.179 1.00 0.00 O ATOM 1130 CB SER A 73 13.352 -2.000 -1.798 1.00 0.00 C ATOM 1131 OG SER A 73 14.772 -1.912 -1.796 1.00 0.00 O ATOM 0 H SER A 73 11.648 -2.251 0.030 1.00 0.00 H new ATOM 0 HA SER A 73 13.613 -0.217 -0.645 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.032 -2.928 -1.325 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.977 -2.017 -2.821 1.00 0.00 H new ATOM 0 HG SER A 73 15.148 -2.680 -2.275 1.00 0.00 H new ATOM 1137 N MET A 74 10.868 -0.423 -2.517 1.00 0.00 N ATOM 1138 CA MET A 74 10.016 0.419 -3.408 1.00 0.00 C ATOM 1139 C MET A 74 9.712 1.733 -2.687 1.00 0.00 C ATOM 1140 O MET A 74 9.810 2.805 -3.251 1.00 0.00 O ATOM 1141 CB MET A 74 8.698 -0.305 -3.708 1.00 0.00 C ATOM 1142 CG MET A 74 8.983 -1.688 -4.302 1.00 0.00 C ATOM 1143 SD MET A 74 7.535 -2.255 -5.234 1.00 0.00 S ATOM 1144 CE MET A 74 6.616 -2.983 -3.851 1.00 0.00 C ATOM 0 H MET A 74 10.551 -1.383 -2.386 1.00 0.00 H new ATOM 0 HA MET A 74 10.540 0.609 -4.345 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.113 -0.406 -2.794 1.00 0.00 H new ATOM 0 HB3 MET A 74 8.101 0.283 -4.405 1.00 0.00 H new ATOM 0 HG2 MET A 74 9.854 -1.643 -4.955 1.00 0.00 H new ATOM 0 HG3 MET A 74 9.217 -2.396 -3.507 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.676 -3.396 -4.216 1.00 0.00 H new ATOM 0 HE2 MET A 74 7.209 -3.777 -3.398 1.00 0.00 H new ATOM 0 HE3 MET A 74 6.410 -2.214 -3.106 1.00 0.00 H new ATOM 1154 N LEU A 75 9.352 1.649 -1.437 1.00 0.00 N ATOM 1155 CA LEU A 75 9.046 2.882 -0.657 1.00 0.00 C ATOM 1156 C LEU A 75 10.322 3.709 -0.500 1.00 0.00 C ATOM 1157 O LEU A 75 10.276 4.916 -0.362 1.00 0.00 O ATOM 1158 CB LEU A 75 8.522 2.497 0.732 1.00 0.00 C ATOM 1159 CG LEU A 75 7.285 1.585 0.608 1.00 0.00 C ATOM 1160 CD1 LEU A 75 7.110 0.763 1.899 1.00 0.00 C ATOM 1161 CD2 LEU A 75 6.031 2.435 0.366 1.00 0.00 C ATOM 0 H LEU A 75 9.256 0.776 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 75 8.289 3.464 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.304 1.985 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.264 3.396 1.292 1.00 0.00 H new ATOM 0 HG LEU A 75 7.427 0.908 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.234 0.121 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.995 0.148 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.976 1.438 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.161 1.784 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.889 3.121 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.150 3.005 -0.555 1.00 0.00 H new ATOM 1173 N HIS A 76 11.463 3.075 -0.527 1.00 0.00 N ATOM 1174 CA HIS A 76 12.736 3.830 -0.388 1.00 0.00 C ATOM 1175 C HIS A 76 12.831 4.411 1.031 1.00 0.00 C ATOM 1176 O HIS A 76 13.310 5.510 1.231 1.00 0.00 O ATOM 1177 CB HIS A 76 12.760 4.954 -1.452 1.00 0.00 C ATOM 1178 CG HIS A 76 14.089 4.991 -2.161 1.00 0.00 C ATOM 1179 ND1 HIS A 76 15.208 5.597 -1.614 1.00 0.00 N ATOM 1180 CD2 HIS A 76 14.484 4.496 -3.375 1.00 0.00 C ATOM 1181 CE1 HIS A 76 16.217 5.451 -2.494 1.00 0.00 C ATOM 1182 NE2 HIS A 76 15.828 4.786 -3.586 1.00 0.00 N ATOM 0 H HIS A 76 11.566 2.066 -0.639 1.00 0.00 H new ATOM 0 HA HIS A 76 13.592 3.174 -0.545 1.00 0.00 H new ATOM 0 HB2 HIS A 76 11.961 4.793 -2.176 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.570 5.916 -0.976 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.848 3.961 -4.065 1.00 0.00 H new ATOM 0 HE1 HIS A 76 17.218 5.825 -2.337 1.00 0.00 H new ATOM 0 HE2 HIS A 76 16.394 4.543 -4.399 1.00 0.00 H new ATOM 1190 N LEU A 77 12.382 3.678 2.016 1.00 0.00 N ATOM 1191 CA LEU A 77 12.452 4.186 3.417 1.00 0.00 C ATOM 1192 C LEU A 77 13.900 4.110 3.912 1.00 0.00 C ATOM 1193 O LEU A 77 14.237 4.648 4.947 1.00 0.00 O ATOM 1194 CB LEU A 77 11.576 3.322 4.334 1.00 0.00 C ATOM 1195 CG LEU A 77 10.085 3.509 4.003 1.00 0.00 C ATOM 1196 CD1 LEU A 77 9.283 2.360 4.630 1.00 0.00 C ATOM 1197 CD2 LEU A 77 9.569 4.843 4.567 1.00 0.00 C ATOM 0 H LEU A 77 11.970 2.751 1.911 1.00 0.00 H new ATOM 0 HA LEU A 77 12.098 5.217 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.849 2.273 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.758 3.589 5.375 1.00 0.00 H new ATOM 0 HG LEU A 77 9.964 3.512 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.225 2.486 4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.632 1.410 4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.422 2.367 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.513 4.957 4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.694 4.853 5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.134 5.666 4.129 1.00 0.00 H new ATOM 1209 N CYS A 78 14.754 3.432 3.183 1.00 0.00 N ATOM 1210 CA CYS A 78 16.187 3.298 3.607 1.00 0.00 C ATOM 1211 C CYS A 78 17.088 4.126 2.683 1.00 0.00 C ATOM 1212 O CYS A 78 18.168 3.703 2.318 1.00 0.00 O ATOM 1213 CB CYS A 78 16.598 1.820 3.535 1.00 0.00 C ATOM 1214 SG CYS A 78 18.022 1.540 4.618 1.00 0.00 S ATOM 0 H CYS A 78 14.520 2.963 2.308 1.00 0.00 H new ATOM 0 HA CYS A 78 16.296 3.663 4.628 1.00 0.00 H new ATOM 0 HB2 CYS A 78 15.766 1.184 3.838 1.00 0.00 H new ATOM 0 HB3 CYS A 78 16.848 1.550 2.509 1.00 0.00 H new ATOM 1219 N SER A 79 16.663 5.301 2.304 1.00 0.00 N ATOM 1220 CA SER A 79 17.510 6.141 1.411 1.00 0.00 C ATOM 1221 C SER A 79 18.783 6.548 2.158 1.00 0.00 C ATOM 1222 O SER A 79 18.816 7.547 2.849 1.00 0.00 O ATOM 1223 CB SER A 79 16.736 7.393 0.997 1.00 0.00 C ATOM 1224 OG SER A 79 16.685 8.298 2.093 1.00 0.00 O ATOM 0 H SER A 79 15.770 5.714 2.573 1.00 0.00 H new ATOM 0 HA SER A 79 17.775 5.572 0.520 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.218 7.866 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.727 7.124 0.685 1.00 0.00 H new ATOM 0 HG SER A 79 17.595 8.570 2.335 1.00 0.00 H new ATOM 1230 N GLY A 80 19.832 5.782 2.023 1.00 0.00 N ATOM 1231 CA GLY A 80 21.105 6.121 2.724 1.00 0.00 C ATOM 1232 C GLY A 80 21.875 7.150 1.900 1.00 0.00 C ATOM 1233 O GLY A 80 22.519 8.034 2.430 1.00 0.00 O ATOM 0 H GLY A 80 19.863 4.934 1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.893 6.518 3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 80 21.708 5.224 2.862 1.00 0.00 H new ATOM 1237 N LEU A 81 21.799 7.038 0.601 1.00 0.00 N ATOM 1238 CA LEU A 81 22.498 7.989 -0.304 1.00 0.00 C ATOM 1239 C LEU A 81 21.447 8.680 -1.145 1.00 0.00 C ATOM 1240 O LEU A 81 20.264 8.498 -0.941 1.00 0.00 O ATOM 1241 CB LEU A 81 23.464 7.215 -1.211 1.00 0.00 C ATOM 1242 CG LEU A 81 22.851 5.871 -1.613 1.00 0.00 C ATOM 1243 CD1 LEU A 81 21.505 6.082 -2.327 1.00 0.00 C ATOM 1244 CD2 LEU A 81 23.822 5.145 -2.547 1.00 0.00 C ATOM 0 H LEU A 81 21.269 6.310 0.121 1.00 0.00 H new ATOM 0 HA LEU A 81 23.068 8.720 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 81 23.687 7.802 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 81 24.409 7.051 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 81 22.675 5.275 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 81 21.085 5.115 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 81 20.816 6.599 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 81 21.659 6.682 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 81 23.396 4.186 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 81 23.995 5.752 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 81 24.768 4.979 -2.031 1.00 0.00 H new ATOM 1256 N VAL A 82 21.847 9.445 -2.110 1.00 0.00 N ATOM 1257 CA VAL A 82 20.822 10.098 -2.963 1.00 0.00 C ATOM 1258 C VAL A 82 20.348 9.078 -4.019 1.00 0.00 C ATOM 1259 O VAL A 82 21.173 8.492 -4.693 1.00 0.00 O ATOM 1260 CB VAL A 82 21.395 11.332 -3.669 1.00 0.00 C ATOM 1261 CG1 VAL A 82 21.422 12.511 -2.696 1.00 0.00 C ATOM 1262 CG2 VAL A 82 22.813 11.041 -4.168 1.00 0.00 C ATOM 0 H VAL A 82 22.819 9.646 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 82 19.991 10.423 -2.337 1.00 0.00 H new ATOM 0 HB VAL A 82 20.764 11.580 -4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 82 21.830 13.388 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 82 20.409 12.726 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 82 22.047 12.261 -1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 82 23.211 11.924 -4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 82 23.451 10.784 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 82 22.788 10.207 -4.870 1.00 0.00 H new ATOM 1272 N PRO A 83 19.051 8.872 -4.154 1.00 0.00 N ATOM 1273 CA PRO A 83 18.542 7.909 -5.137 1.00 0.00 C ATOM 1274 C PRO A 83 19.153 8.193 -6.520 1.00 0.00 C ATOM 1275 O PRO A 83 19.333 9.333 -6.900 1.00 0.00 O ATOM 1276 CB PRO A 83 17.016 8.117 -5.149 1.00 0.00 C ATOM 1277 CG PRO A 83 16.678 8.993 -3.921 1.00 0.00 C ATOM 1278 CD PRO A 83 18.004 9.555 -3.372 1.00 0.00 C ATOM 0 HA PRO A 83 18.802 6.880 -4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 83 16.699 8.604 -6.071 1.00 0.00 H new ATOM 0 HB3 PRO A 83 16.495 7.161 -5.098 1.00 0.00 H new ATOM 0 HG2 PRO A 83 16.005 9.803 -4.202 1.00 0.00 H new ATOM 0 HG3 PRO A 83 16.167 8.404 -3.159 1.00 0.00 H new ATOM 0 HD2 PRO A 83 18.058 10.636 -3.497 1.00 0.00 H new ATOM 0 HD3 PRO A 83 18.109 9.352 -2.306 1.00 0.00 H new ATOM 1286 N ARG A 84 19.462 7.177 -7.278 1.00 0.00 N ATOM 1287 CA ARG A 84 20.045 7.416 -8.631 1.00 0.00 C ATOM 1288 C ARG A 84 18.912 7.746 -9.608 1.00 0.00 C ATOM 1289 O ARG A 84 17.807 7.284 -9.381 1.00 0.00 O ATOM 1290 CB ARG A 84 20.782 6.155 -9.110 1.00 0.00 C ATOM 1291 CG ARG A 84 22.163 6.050 -8.443 1.00 0.00 C ATOM 1292 CD ARG A 84 22.022 5.527 -7.012 1.00 0.00 C ATOM 1293 NE ARG A 84 21.295 4.226 -7.018 1.00 0.00 N ATOM 1294 CZ ARG A 84 21.322 3.459 -5.961 1.00 0.00 C ATOM 1295 NH1 ARG A 84 21.984 3.834 -4.901 1.00 0.00 N ATOM 1296 NH2 ARG A 84 20.686 2.320 -5.966 1.00 0.00 N ATOM 1297 OXT ARG A 84 19.172 8.457 -10.565 1.00 0.00 O ATOM 0 H ARG A 84 19.338 6.197 -7.022 1.00 0.00 H new ATOM 0 HA ARG A 84 20.751 8.246 -8.585 1.00 0.00 H new ATOM 0 HB2 ARG A 84 20.190 5.270 -8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 84 20.897 6.184 -10.194 1.00 0.00 H new ATOM 0 HG2 ARG A 84 22.803 5.383 -9.020 1.00 0.00 H new ATOM 0 HG3 ARG A 84 22.646 7.027 -8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 84 23.007 5.401 -6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 84 21.483 6.252 -6.402 1.00 0.00 H new ATOM 0 HE ARG A 84 20.777 3.935 -7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 84 22.480 4.725 -4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 84 22.006 3.236 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 84 20.168 2.029 -6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 84 20.707 1.721 -5.141 1.00 0.00 H new TER 1311 ARG A 84