USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 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 9 LYS NZ :NH3+ -155:sc= -0.0504 (180deg=-0.704) USER MOD Set 1.2: A 29 CYS SG : rot -160:sc= -0.435 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.441 X(o=-0.44,f=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.98 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.14) USER MOD Single : A 18 SER OG : rot -170:sc= -0.305 USER MOD Single : A 20 CYS SG : rot 180:sc= -0.113 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0814 USER MOD Single : A 30 GLN : amide:sc= 0.125 X(o=0.13,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 129:sc= -1.76! USER MOD Single : A 41 GLN : amide:sc= -2.25! X(o=-2.3!,f=-2.3) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 72:sc= -2.56! USER MOD Single : A 50 CYS SG : rot 122:sc= -4.2! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.42! USER MOD Single : A 59 THR OG1 : rot -141:sc= -2.26! USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.93 K(o=-1.9,f=-3.5!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0862 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0192 USER MOD Single : A 82 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 96.520 -10.093 -2.905 1.00 0.00 N ATOM 2 CA MET A 1 95.253 -10.878 -2.956 1.00 0.00 C ATOM 3 C MET A 1 94.181 -10.101 -3.724 1.00 0.00 C ATOM 4 O MET A 1 93.216 -9.628 -3.156 1.00 0.00 O ATOM 5 CB MET A 1 94.840 -11.060 -1.495 1.00 0.00 C ATOM 6 CG MET A 1 94.425 -12.513 -1.259 1.00 0.00 C ATOM 7 SD MET A 1 95.382 -13.198 0.117 1.00 0.00 S ATOM 8 CE MET A 1 94.161 -12.896 1.418 1.00 0.00 C ATOM 0 H1 MET A 1 97.240 -10.630 -2.381 1.00 0.00 H new ATOM 0 H2 MET A 1 96.857 -9.914 -3.873 1.00 0.00 H new ATOM 0 H3 MET A 1 96.348 -9.186 -2.425 1.00 0.00 H new ATOM 0 HA MET A 1 95.379 -11.833 -3.465 1.00 0.00 H new ATOM 0 HB2 MET A 1 95.667 -10.796 -0.837 1.00 0.00 H new ATOM 0 HB3 MET A 1 94.014 -10.391 -1.254 1.00 0.00 H new ATOM 0 HG2 MET A 1 93.359 -12.567 -1.037 1.00 0.00 H new ATOM 0 HG3 MET A 1 94.593 -13.101 -2.161 1.00 0.00 H new ATOM 0 HE1 MET A 1 94.551 -13.249 2.372 1.00 0.00 H new ATOM 0 HE2 MET A 1 93.955 -11.828 1.483 1.00 0.00 H new ATOM 0 HE3 MET A 1 93.240 -13.429 1.183 1.00 0.00 H new ATOM 18 N CYS A 2 94.343 -9.962 -5.011 1.00 0.00 N ATOM 19 CA CYS A 2 93.334 -9.214 -5.813 1.00 0.00 C ATOM 20 C CYS A 2 91.925 -9.728 -5.506 1.00 0.00 C ATOM 21 O CYS A 2 91.435 -10.641 -6.140 1.00 0.00 O ATOM 22 CB CYS A 2 93.700 -9.497 -7.272 1.00 0.00 C ATOM 23 SG CYS A 2 94.584 -8.073 -7.958 1.00 0.00 S ATOM 0 H CYS A 2 95.130 -10.334 -5.542 1.00 0.00 H new ATOM 0 HA CYS A 2 93.338 -8.147 -5.589 1.00 0.00 H new ATOM 0 HB2 CYS A 2 94.322 -10.390 -7.336 1.00 0.00 H new ATOM 0 HB3 CYS A 2 92.799 -9.694 -7.853 1.00 0.00 H new ATOM 0 HG CYS A 2 94.898 -8.313 -9.197 1.00 0.00 H new ATOM 29 N ALA A 3 91.268 -9.151 -4.536 1.00 0.00 N ATOM 30 CA ALA A 3 89.891 -9.610 -4.193 1.00 0.00 C ATOM 31 C ALA A 3 89.236 -8.639 -3.207 1.00 0.00 C ATOM 32 O ALA A 3 88.861 -9.009 -2.112 1.00 0.00 O ATOM 33 CB ALA A 3 90.080 -10.983 -3.546 1.00 0.00 C ATOM 0 H ALA A 3 91.624 -8.383 -3.967 1.00 0.00 H new ATOM 0 HA ALA A 3 89.243 -9.656 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 3 89.109 -11.389 -3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 3 90.563 -11.656 -4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 3 90.703 -10.884 -2.657 1.00 0.00 H new ATOM 39 N VAL A 4 89.094 -7.397 -3.588 1.00 0.00 N ATOM 40 CA VAL A 4 88.461 -6.403 -2.673 1.00 0.00 C ATOM 41 C VAL A 4 87.623 -5.406 -3.480 1.00 0.00 C ATOM 42 O VAL A 4 87.892 -5.152 -4.638 1.00 0.00 O ATOM 43 CB VAL A 4 89.629 -5.694 -1.987 1.00 0.00 C ATOM 44 CG1 VAL A 4 90.428 -4.905 -3.025 1.00 0.00 C ATOM 45 CG2 VAL A 4 89.089 -4.734 -0.924 1.00 0.00 C ATOM 0 H VAL A 4 89.389 -7.028 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 4 87.791 -6.871 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 4 90.276 -6.434 -1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 4 91.261 -4.400 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 4 90.812 -5.587 -3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 4 89.781 -4.165 -3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 4 89.921 -4.228 -0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 4 88.442 -3.995 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 4 88.519 -5.295 -0.183 1.00 0.00 H new ATOM 55 N LEU A 5 86.610 -4.843 -2.881 1.00 0.00 N ATOM 56 CA LEU A 5 85.757 -3.866 -3.618 1.00 0.00 C ATOM 57 C LEU A 5 86.493 -2.533 -3.780 1.00 0.00 C ATOM 58 O LEU A 5 86.921 -1.929 -2.816 1.00 0.00 O ATOM 59 CB LEU A 5 84.512 -3.686 -2.747 1.00 0.00 C ATOM 60 CG LEU A 5 83.259 -3.961 -3.581 1.00 0.00 C ATOM 61 CD1 LEU A 5 82.068 -4.204 -2.653 1.00 0.00 C ATOM 62 CD2 LEU A 5 82.968 -2.753 -4.475 1.00 0.00 C ATOM 0 H LEU A 5 86.336 -5.016 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 5 85.507 -4.215 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 5 84.550 -4.365 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 5 84.479 -2.673 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 5 83.422 -4.843 -4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 5 81.176 -4.400 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 5 82.274 -5.063 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 5 81.904 -3.323 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 5 82.076 -2.947 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 5 82.806 -1.872 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 5 83.815 -2.579 -5.138 1.00 0.00 H new ATOM 74 N ARG A 6 86.642 -2.069 -4.991 1.00 0.00 N ATOM 75 CA ARG A 6 87.348 -0.773 -5.212 1.00 0.00 C ATOM 76 C ARG A 6 86.348 0.302 -5.640 1.00 0.00 C ATOM 77 O ARG A 6 86.587 1.061 -6.558 1.00 0.00 O ATOM 78 CB ARG A 6 88.350 -1.053 -6.331 1.00 0.00 C ATOM 79 CG ARG A 6 89.354 -2.108 -5.863 1.00 0.00 C ATOM 80 CD ARG A 6 90.767 -1.522 -5.905 1.00 0.00 C ATOM 81 NE ARG A 6 91.327 -1.970 -7.209 1.00 0.00 N ATOM 82 CZ ARG A 6 91.818 -1.094 -8.042 1.00 0.00 C ATOM 83 NH1 ARG A 6 91.018 -0.388 -8.794 1.00 0.00 N ATOM 84 NH2 ARG A 6 93.109 -0.923 -8.125 1.00 0.00 N ATOM 0 H ARG A 6 86.306 -2.530 -5.837 1.00 0.00 H new ATOM 0 HA ARG A 6 87.840 -0.409 -4.310 1.00 0.00 H new ATOM 0 HB2 ARG A 6 87.828 -1.402 -7.222 1.00 0.00 H new ATOM 0 HB3 ARG A 6 88.871 -0.136 -6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 6 89.113 -2.431 -4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 6 89.295 -2.990 -6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 6 90.746 -0.434 -5.836 1.00 0.00 H new ATOM 0 HD3 ARG A 6 91.369 -1.882 -5.071 1.00 0.00 H new ATOM 0 HE ARG A 6 91.327 -2.961 -7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 6 90.009 -0.521 -8.730 1.00 0.00 H new ATOM 0 HH12 ARG A 6 91.402 0.297 -9.445 1.00 0.00 H new ATOM 0 HH21 ARG A 6 93.735 -1.474 -7.538 1.00 0.00 H new ATOM 0 HH22 ARG A 6 93.492 -0.238 -8.777 1.00 0.00 H new ATOM 98 N GLN A 7 85.227 0.369 -4.979 1.00 0.00 N ATOM 99 CA GLN A 7 84.203 1.390 -5.339 1.00 0.00 C ATOM 100 C GLN A 7 83.009 1.286 -4.386 1.00 0.00 C ATOM 101 O GLN A 7 82.298 0.301 -4.389 1.00 0.00 O ATOM 102 CB GLN A 7 83.784 1.044 -6.768 1.00 0.00 C ATOM 103 CG GLN A 7 83.383 -0.431 -6.840 1.00 0.00 C ATOM 104 CD GLN A 7 83.240 -0.850 -8.306 1.00 0.00 C ATOM 105 OE1 GLN A 7 83.527 -1.977 -8.658 1.00 0.00 O ATOM 106 NE2 GLN A 7 82.805 0.015 -9.180 1.00 0.00 N ATOM 0 H GLN A 7 84.974 -0.241 -4.202 1.00 0.00 H new ATOM 0 HA GLN A 7 84.584 2.408 -5.265 1.00 0.00 H new ATOM 0 HB2 GLN A 7 82.950 1.674 -7.076 1.00 0.00 H new ATOM 0 HB3 GLN A 7 84.605 1.243 -7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 7 84.134 -1.048 -6.346 1.00 0.00 H new ATOM 0 HG3 GLN A 7 82.443 -0.590 -6.312 1.00 0.00 H new ATOM 0 HE21 GLN A 7 82.564 0.961 -8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 7 82.706 -0.255 -10.159 1.00 0.00 H new ATOM 115 N PRO A 8 82.834 2.309 -3.594 1.00 0.00 N ATOM 116 CA PRO A 8 81.718 2.331 -2.618 1.00 0.00 C ATOM 117 C PRO A 8 80.379 2.552 -3.328 1.00 0.00 C ATOM 118 O PRO A 8 80.206 3.501 -4.067 1.00 0.00 O ATOM 119 CB PRO A 8 82.056 3.512 -1.714 1.00 0.00 C ATOM 120 CG PRO A 8 82.919 4.406 -2.548 1.00 0.00 C ATOM 121 CD PRO A 8 83.647 3.528 -3.534 1.00 0.00 C ATOM 0 HA PRO A 8 81.614 1.395 -2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 8 81.154 4.029 -1.386 1.00 0.00 H new ATOM 0 HB3 PRO A 8 82.580 3.184 -0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 8 82.314 5.149 -3.068 1.00 0.00 H new ATOM 0 HG3 PRO A 8 83.626 4.951 -1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.724 4.005 -4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 8 84.663 3.314 -3.203 1.00 0.00 H new ATOM 129 N LYS A 9 79.431 1.682 -3.107 1.00 0.00 N ATOM 130 CA LYS A 9 78.103 1.843 -3.764 1.00 0.00 C ATOM 131 C LYS A 9 77.260 2.861 -2.993 1.00 0.00 C ATOM 132 O LYS A 9 77.625 3.296 -1.919 1.00 0.00 O ATOM 133 CB LYS A 9 77.459 0.457 -3.701 1.00 0.00 C ATOM 134 CG LYS A 9 77.634 -0.248 -5.047 1.00 0.00 C ATOM 135 CD LYS A 9 76.263 -0.509 -5.670 1.00 0.00 C ATOM 136 CE LYS A 9 75.469 -1.465 -4.778 1.00 0.00 C ATOM 137 NZ LYS A 9 76.136 -2.787 -4.941 1.00 0.00 N ATOM 0 H LYS A 9 79.519 0.867 -2.500 1.00 0.00 H new ATOM 0 HA LYS A 9 78.187 2.206 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 9 77.917 -0.133 -2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 9 76.400 0.547 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 9 78.237 0.366 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 9 78.168 -1.189 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 9 75.721 0.429 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 9 76.380 -0.937 -6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 9 75.486 -1.140 -3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 9 74.423 -1.511 -5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 75.456 -3.547 -4.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 76.478 -2.885 -5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 76.940 -2.854 -4.284 1.00 0.00 H new ATOM 151 N CYS A 10 76.135 3.246 -3.532 1.00 0.00 N ATOM 152 CA CYS A 10 75.276 4.238 -2.824 1.00 0.00 C ATOM 153 C CYS A 10 73.801 3.842 -2.936 1.00 0.00 C ATOM 154 O CYS A 10 73.384 3.218 -3.893 1.00 0.00 O ATOM 155 CB CYS A 10 75.529 5.564 -3.542 1.00 0.00 C ATOM 156 SG CYS A 10 77.309 5.887 -3.605 1.00 0.00 S ATOM 0 H CYS A 10 75.775 2.918 -4.428 1.00 0.00 H new ATOM 0 HA CYS A 10 75.508 4.297 -1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 10 75.119 5.527 -4.551 1.00 0.00 H new ATOM 0 HB3 CYS A 10 75.020 6.375 -3.021 1.00 0.00 H new ATOM 0 HG CYS A 10 77.524 7.013 -4.217 1.00 0.00 H new ATOM 162 N VAL A 11 73.007 4.207 -1.967 1.00 0.00 N ATOM 163 CA VAL A 11 71.558 3.859 -2.016 1.00 0.00 C ATOM 164 C VAL A 11 70.731 4.971 -1.364 1.00 0.00 C ATOM 165 O VAL A 11 71.011 5.401 -0.263 1.00 0.00 O ATOM 166 CB VAL A 11 71.433 2.559 -1.222 1.00 0.00 C ATOM 167 CG1 VAL A 11 72.481 1.558 -1.711 1.00 0.00 C ATOM 168 CG2 VAL A 11 71.659 2.846 0.265 1.00 0.00 C ATOM 0 H VAL A 11 73.299 4.732 -1.143 1.00 0.00 H new ATOM 0 HA VAL A 11 71.193 3.745 -3.037 1.00 0.00 H new ATOM 0 HB VAL A 11 70.437 2.141 -1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 11 72.391 0.631 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 11 72.322 1.353 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 11 73.478 1.976 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.570 1.919 0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 11 72.655 3.264 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 11 70.913 3.559 0.615 1.00 0.00 H new ATOM 178 N LYS A 12 69.716 5.443 -2.036 1.00 0.00 N ATOM 179 CA LYS A 12 68.876 6.529 -1.454 1.00 0.00 C ATOM 180 C LYS A 12 67.788 5.930 -0.559 1.00 0.00 C ATOM 181 O LYS A 12 66.747 5.511 -1.025 1.00 0.00 O ATOM 182 CB LYS A 12 68.254 7.238 -2.659 1.00 0.00 C ATOM 183 CG LYS A 12 69.351 7.605 -3.663 1.00 0.00 C ATOM 184 CD LYS A 12 70.057 8.883 -3.206 1.00 0.00 C ATOM 185 CE LYS A 12 69.047 10.032 -3.142 1.00 0.00 C ATOM 186 NZ LYS A 12 69.843 11.272 -3.384 1.00 0.00 N ATOM 0 H LYS A 12 69.432 5.124 -2.962 1.00 0.00 H new ATOM 0 HA LYS A 12 69.454 7.214 -0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 12 67.515 6.591 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 12 67.729 8.136 -2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 12 70.070 6.790 -3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 12 68.918 7.750 -4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 12 70.511 8.730 -2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.863 9.132 -3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 12 68.267 9.912 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 12 68.551 10.066 -2.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 69.214 12.100 -3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 70.573 11.365 -2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 70.297 11.216 -4.318 1.00 0.00 H new ATOM 200 N LEU A 13 68.023 5.882 0.724 1.00 0.00 N ATOM 201 CA LEU A 13 67.005 5.304 1.647 1.00 0.00 C ATOM 202 C LEU A 13 65.850 6.284 1.860 1.00 0.00 C ATOM 203 O LEU A 13 65.845 7.061 2.794 1.00 0.00 O ATOM 204 CB LEU A 13 67.752 5.064 2.959 1.00 0.00 C ATOM 205 CG LEU A 13 67.607 3.596 3.366 1.00 0.00 C ATOM 206 CD1 LEU A 13 68.659 2.757 2.640 1.00 0.00 C ATOM 207 CD2 LEU A 13 67.807 3.466 4.878 1.00 0.00 C ATOM 0 H LEU A 13 68.875 6.218 1.173 1.00 0.00 H new ATOM 0 HA LEU A 13 66.567 4.388 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 13 68.806 5.318 2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 13 67.353 5.711 3.741 1.00 0.00 H new ATOM 0 HG LEU A 13 66.612 3.241 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 13 68.555 1.712 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 13 68.519 2.850 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.655 3.111 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 13 67.704 2.421 5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 13 68.802 3.821 5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 13 67.057 4.063 5.397 1.00 0.00 H new ATOM 219 N ARG A 14 64.864 6.246 1.007 1.00 0.00 N ATOM 220 CA ARG A 14 63.702 7.166 1.164 1.00 0.00 C ATOM 221 C ARG A 14 62.724 6.591 2.189 1.00 0.00 C ATOM 222 O ARG A 14 62.676 5.398 2.409 1.00 0.00 O ATOM 223 CB ARG A 14 63.061 7.234 -0.223 1.00 0.00 C ATOM 224 CG ARG A 14 61.625 7.751 -0.103 1.00 0.00 C ATOM 225 CD ARG A 14 61.637 9.177 0.452 1.00 0.00 C ATOM 226 NE ARG A 14 60.402 9.275 1.279 1.00 0.00 N ATOM 227 CZ ARG A 14 59.936 10.445 1.622 1.00 0.00 C ATOM 228 NH1 ARG A 14 59.223 11.137 0.775 1.00 0.00 N ATOM 229 NH2 ARG A 14 60.181 10.922 2.812 1.00 0.00 N ATOM 0 H ARG A 14 64.813 5.616 0.206 1.00 0.00 H new ATOM 0 HA ARG A 14 63.993 8.154 1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 14 63.641 7.891 -0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 14 63.065 6.247 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 14 61.139 7.734 -1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 14 61.047 7.100 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 14 62.529 9.361 1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 14 61.635 9.914 -0.351 1.00 0.00 H new ATOM 0 HE ARG A 14 59.920 8.427 1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 14 59.030 10.763 -0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 14 58.859 12.051 1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 14 60.737 10.380 3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 14 59.817 11.836 3.080 1.00 0.00 H new ATOM 243 N ALA A 15 61.945 7.426 2.822 1.00 0.00 N ATOM 244 CA ALA A 15 60.978 6.911 3.833 1.00 0.00 C ATOM 245 C ALA A 15 59.674 7.711 3.784 1.00 0.00 C ATOM 246 O ALA A 15 59.652 8.897 4.040 1.00 0.00 O ATOM 247 CB ALA A 15 61.673 7.105 5.180 1.00 0.00 C ATOM 0 H ALA A 15 61.936 8.437 2.684 1.00 0.00 H new ATOM 0 HA ALA A 15 60.715 5.869 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 15 61.023 6.749 5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 15 62.606 6.542 5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.886 8.163 5.330 1.00 0.00 H new ATOM 253 N LEU A 16 58.585 7.067 3.458 1.00 0.00 N ATOM 254 CA LEU A 16 57.283 7.790 3.397 1.00 0.00 C ATOM 255 C LEU A 16 56.938 8.375 4.770 1.00 0.00 C ATOM 256 O LEU A 16 56.247 9.368 4.877 1.00 0.00 O ATOM 257 CB LEU A 16 56.261 6.727 2.995 1.00 0.00 C ATOM 258 CG LEU A 16 55.781 6.996 1.569 1.00 0.00 C ATOM 259 CD1 LEU A 16 55.043 5.767 1.036 1.00 0.00 C ATOM 260 CD2 LEU A 16 54.831 8.197 1.571 1.00 0.00 C ATOM 0 H LEU A 16 58.541 6.073 3.232 1.00 0.00 H new ATOM 0 HA LEU A 16 57.304 8.623 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.708 5.735 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.416 6.741 3.683 1.00 0.00 H new ATOM 0 HG LEU A 16 56.639 7.208 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 16 54.701 5.960 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.716 4.910 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.184 5.554 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 16 54.487 8.391 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 16 53.974 7.982 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 16 55.355 9.074 1.950 1.00 0.00 H new ATOM 272 N HIS A 17 57.418 7.767 5.818 1.00 0.00 N ATOM 273 CA HIS A 17 57.119 8.287 7.184 1.00 0.00 C ATOM 274 C HIS A 17 58.086 9.420 7.540 1.00 0.00 C ATOM 275 O HIS A 17 58.153 9.861 8.671 1.00 0.00 O ATOM 276 CB HIS A 17 57.323 7.091 8.115 1.00 0.00 C ATOM 277 CG HIS A 17 56.488 7.270 9.352 1.00 0.00 C ATOM 278 ND1 HIS A 17 56.638 6.462 10.468 1.00 0.00 N ATOM 279 CD2 HIS A 17 55.492 8.161 9.665 1.00 0.00 C ATOM 280 CE1 HIS A 17 55.754 6.880 11.392 1.00 0.00 C ATOM 281 NE2 HIS A 17 55.029 7.913 10.954 1.00 0.00 N ATOM 0 H HIS A 17 58.004 6.933 5.790 1.00 0.00 H new ATOM 0 HA HIS A 17 56.111 8.695 7.262 1.00 0.00 H new ATOM 0 HB2 HIS A 17 57.044 6.169 7.606 1.00 0.00 H new ATOM 0 HB3 HIS A 17 58.376 7.001 8.384 1.00 0.00 H new ATOM 0 HD2 HIS A 17 55.123 8.937 9.010 1.00 0.00 H new ATOM 0 HE1 HIS A 17 55.644 6.434 12.370 1.00 0.00 H new ATOM 0 HE2 HIS A 17 54.295 8.412 11.456 1.00 0.00 H new ATOM 289 N SER A 18 58.835 9.896 6.583 1.00 0.00 N ATOM 290 CA SER A 18 59.795 11.001 6.866 1.00 0.00 C ATOM 291 C SER A 18 59.592 12.142 5.867 1.00 0.00 C ATOM 292 O SER A 18 58.567 12.239 5.222 1.00 0.00 O ATOM 293 CB SER A 18 61.180 10.378 6.696 1.00 0.00 C ATOM 294 OG SER A 18 61.228 9.144 7.400 1.00 0.00 O ATOM 0 H SER A 18 58.824 9.568 5.617 1.00 0.00 H new ATOM 0 HA SER A 18 59.660 11.422 7.862 1.00 0.00 H new ATOM 0 HB2 SER A 18 61.391 10.216 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 18 61.945 11.056 7.074 1.00 0.00 H new ATOM 0 HG SER A 18 62.152 8.819 7.427 1.00 0.00 H new ATOM 300 N ALA A 19 60.559 13.007 5.734 1.00 0.00 N ATOM 301 CA ALA A 19 60.418 14.141 4.776 1.00 0.00 C ATOM 302 C ALA A 19 61.472 14.040 3.671 1.00 0.00 C ATOM 303 O ALA A 19 61.708 14.979 2.937 1.00 0.00 O ATOM 304 CB ALA A 19 60.641 15.398 5.617 1.00 0.00 C ATOM 0 H ALA A 19 61.440 12.978 6.247 1.00 0.00 H new ATOM 0 HA ALA A 19 59.446 14.145 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 19 60.554 16.280 4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 19 59.893 15.444 6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 19 61.636 15.367 6.060 1.00 0.00 H new ATOM 310 N CYS A 20 62.111 12.908 3.545 1.00 0.00 N ATOM 311 CA CYS A 20 63.149 12.755 2.486 1.00 0.00 C ATOM 312 C CYS A 20 63.762 11.354 2.530 1.00 0.00 C ATOM 313 O CYS A 20 63.152 10.406 2.989 1.00 0.00 O ATOM 314 CB CYS A 20 64.205 13.811 2.814 1.00 0.00 C ATOM 315 SG CYS A 20 64.386 14.937 1.407 1.00 0.00 S ATOM 0 H CYS A 20 61.959 12.085 4.128 1.00 0.00 H new ATOM 0 HA CYS A 20 62.735 12.883 1.486 1.00 0.00 H new ATOM 0 HB2 CYS A 20 63.914 14.368 3.705 1.00 0.00 H new ATOM 0 HB3 CYS A 20 65.158 13.331 3.035 1.00 0.00 H new ATOM 0 HG CYS A 20 65.282 15.837 1.684 1.00 0.00 H new ATOM 321 N LYS A 21 64.965 11.222 2.048 1.00 0.00 N ATOM 322 CA LYS A 21 65.633 9.889 2.049 1.00 0.00 C ATOM 323 C LYS A 21 67.041 10.001 2.639 1.00 0.00 C ATOM 324 O LYS A 21 67.505 11.077 2.964 1.00 0.00 O ATOM 325 CB LYS A 21 65.697 9.480 0.577 1.00 0.00 C ATOM 326 CG LYS A 21 66.485 10.530 -0.212 1.00 0.00 C ATOM 327 CD LYS A 21 65.511 11.481 -0.912 1.00 0.00 C ATOM 328 CE LYS A 21 65.706 11.387 -2.428 1.00 0.00 C ATOM 329 NZ LYS A 21 64.812 12.434 -2.995 1.00 0.00 N ATOM 0 H LYS A 21 65.518 11.982 1.652 1.00 0.00 H new ATOM 0 HA LYS A 21 65.096 9.158 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 21 66.173 8.504 0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 21 64.690 9.385 0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 21 67.138 11.090 0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.125 10.043 -0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 21 64.484 11.225 -0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 21 65.680 12.504 -0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 21 66.746 11.563 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 21 65.441 10.397 -2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 64.890 12.432 -4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 63.828 12.236 -2.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 65.093 13.366 -2.628 1.00 0.00 H new ATOM 343 N PHE A 22 67.724 8.899 2.781 1.00 0.00 N ATOM 344 CA PHE A 22 69.102 8.941 3.350 1.00 0.00 C ATOM 345 C PHE A 22 70.109 8.381 2.342 1.00 0.00 C ATOM 346 O PHE A 22 70.459 7.218 2.381 1.00 0.00 O ATOM 347 CB PHE A 22 69.041 8.056 4.596 1.00 0.00 C ATOM 348 CG PHE A 22 70.346 8.155 5.350 1.00 0.00 C ATOM 349 CD1 PHE A 22 70.900 9.411 5.629 1.00 0.00 C ATOM 350 CD2 PHE A 22 71.002 6.992 5.772 1.00 0.00 C ATOM 351 CE1 PHE A 22 72.109 9.503 6.328 1.00 0.00 C ATOM 352 CE2 PHE A 22 72.211 7.084 6.472 1.00 0.00 C ATOM 353 CZ PHE A 22 72.765 8.340 6.750 1.00 0.00 C ATOM 0 H PHE A 22 67.388 7.970 2.528 1.00 0.00 H new ATOM 0 HA PHE A 22 69.421 9.956 3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 22 68.215 8.367 5.236 1.00 0.00 H new ATOM 0 HB3 PHE A 22 68.851 7.021 4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 22 70.394 10.308 5.305 1.00 0.00 H new ATOM 0 HD2 PHE A 22 70.575 6.023 5.557 1.00 0.00 H new ATOM 0 HE1 PHE A 22 72.536 10.472 6.542 1.00 0.00 H new ATOM 0 HE2 PHE A 22 72.716 6.187 6.798 1.00 0.00 H new ATOM 0 HZ PHE A 22 73.698 8.412 7.290 1.00 0.00 H new ATOM 363 N GLY A 23 70.579 9.199 1.440 1.00 0.00 N ATOM 364 CA GLY A 23 71.564 8.712 0.434 1.00 0.00 C ATOM 365 C GLY A 23 72.810 8.192 1.152 1.00 0.00 C ATOM 366 O GLY A 23 73.776 8.906 1.334 1.00 0.00 O ATOM 0 H GLY A 23 70.323 10.183 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 23 71.122 7.920 -0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 23 71.834 9.519 -0.247 1.00 0.00 H new ATOM 370 N VAL A 24 72.793 6.955 1.566 1.00 0.00 N ATOM 371 CA VAL A 24 73.977 6.392 2.276 1.00 0.00 C ATOM 372 C VAL A 24 74.873 5.627 1.297 1.00 0.00 C ATOM 373 O VAL A 24 74.406 5.045 0.339 1.00 0.00 O ATOM 374 CB VAL A 24 73.393 5.447 3.328 1.00 0.00 C ATOM 375 CG1 VAL A 24 72.883 4.172 2.651 1.00 0.00 C ATOM 376 CG2 VAL A 24 74.479 5.086 4.345 1.00 0.00 C ATOM 0 H VAL A 24 72.012 6.310 1.444 1.00 0.00 H new ATOM 0 HA VAL A 24 74.597 7.168 2.725 1.00 0.00 H new ATOM 0 HB VAL A 24 72.565 5.940 3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 24 72.468 3.502 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 24 72.109 4.429 1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 24 73.708 3.677 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 24 74.065 4.413 5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 24 75.307 4.595 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 24 74.839 5.993 4.830 1.00 0.00 H new ATOM 386 N ALA A 25 76.157 5.621 1.534 1.00 0.00 N ATOM 387 CA ALA A 25 77.083 4.892 0.620 1.00 0.00 C ATOM 388 C ALA A 25 78.014 3.987 1.427 1.00 0.00 C ATOM 389 O ALA A 25 78.331 4.266 2.567 1.00 0.00 O ATOM 390 CB ALA A 25 77.884 5.983 -0.091 1.00 0.00 C ATOM 0 H ALA A 25 76.605 6.090 2.321 1.00 0.00 H new ATOM 0 HA ALA A 25 76.549 4.255 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 25 78.590 5.524 -0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 25 77.204 6.632 -0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 25 78.430 6.572 0.646 1.00 0.00 H new ATOM 396 N ALA A 26 78.456 2.905 0.849 1.00 0.00 N ATOM 397 CA ALA A 26 79.367 1.987 1.590 1.00 0.00 C ATOM 398 C ALA A 26 79.910 0.903 0.656 1.00 0.00 C ATOM 399 O ALA A 26 79.213 0.407 -0.206 1.00 0.00 O ATOM 400 CB ALA A 26 78.498 1.368 2.684 1.00 0.00 C ATOM 0 H ALA A 26 78.227 2.617 -0.102 1.00 0.00 H new ATOM 0 HA ALA A 26 80.232 2.508 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 26 79.097 0.677 3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 26 78.109 2.156 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.668 0.829 2.228 1.00 0.00 H new ATOM 406 N ARG A 27 81.150 0.531 0.822 1.00 0.00 N ATOM 407 CA ARG A 27 81.736 -0.521 -0.056 1.00 0.00 C ATOM 408 C ARG A 27 80.777 -1.707 -0.163 1.00 0.00 C ATOM 409 O ARG A 27 80.232 -1.985 -1.214 1.00 0.00 O ATOM 410 CB ARG A 27 83.028 -0.943 0.643 1.00 0.00 C ATOM 411 CG ARG A 27 84.223 -0.538 -0.218 1.00 0.00 C ATOM 412 CD ARG A 27 85.067 0.489 0.537 1.00 0.00 C ATOM 413 NE ARG A 27 86.394 -0.161 0.716 1.00 0.00 N ATOM 414 CZ ARG A 27 87.332 0.449 1.386 1.00 0.00 C ATOM 415 NH1 ARG A 27 87.024 1.175 2.425 1.00 0.00 N ATOM 416 NH2 ARG A 27 88.578 0.332 1.017 1.00 0.00 N ATOM 0 H ARG A 27 81.782 0.910 1.527 1.00 0.00 H new ATOM 0 HA ARG A 27 81.918 -0.162 -1.069 1.00 0.00 H new ATOM 0 HB2 ARG A 27 83.095 -0.472 1.624 1.00 0.00 H new ATOM 0 HB3 ARG A 27 83.031 -2.021 0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 27 84.825 -1.414 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.879 -0.118 -1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 27 85.155 1.418 -0.026 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.617 0.740 1.498 1.00 0.00 H new ATOM 0 HE ARG A 27 86.570 -1.082 0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 27 86.050 1.265 2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 27 87.757 1.652 2.949 1.00 0.00 H new ATOM 0 HH21 ARG A 27 88.818 -0.236 0.205 1.00 0.00 H new ATOM 0 HH22 ARG A 27 89.312 0.809 1.541 1.00 0.00 H new ATOM 430 N SER A 28 80.566 -2.406 0.916 1.00 0.00 N ATOM 431 CA SER A 28 79.640 -3.571 0.881 1.00 0.00 C ATOM 432 C SER A 28 78.191 -3.092 1.005 1.00 0.00 C ATOM 433 O SER A 28 77.695 -2.865 2.090 1.00 0.00 O ATOM 434 CB SER A 28 80.028 -4.423 2.087 1.00 0.00 C ATOM 435 OG SER A 28 81.364 -4.116 2.468 1.00 0.00 O ATOM 0 H SER A 28 80.996 -2.221 1.822 1.00 0.00 H new ATOM 0 HA SER A 28 79.713 -4.131 -0.051 1.00 0.00 H new ATOM 0 HB2 SER A 28 79.348 -4.231 2.917 1.00 0.00 H new ATOM 0 HB3 SER A 28 79.941 -5.482 1.842 1.00 0.00 H new ATOM 0 HG SER A 28 81.616 -4.660 3.243 1.00 0.00 H new ATOM 441 N CYS A 29 77.513 -2.934 -0.100 1.00 0.00 N ATOM 442 CA CYS A 29 76.097 -2.469 -0.046 1.00 0.00 C ATOM 443 C CYS A 29 75.356 -3.174 1.092 1.00 0.00 C ATOM 444 O CYS A 29 74.457 -2.623 1.697 1.00 0.00 O ATOM 445 CB CYS A 29 75.500 -2.856 -1.399 1.00 0.00 C ATOM 446 SG CYS A 29 75.687 -4.638 -1.653 1.00 0.00 S ATOM 0 H CYS A 29 77.878 -3.107 -1.037 1.00 0.00 H new ATOM 0 HA CYS A 29 76.019 -1.398 0.139 1.00 0.00 H new ATOM 0 HB2 CYS A 29 74.446 -2.581 -1.435 1.00 0.00 H new ATOM 0 HB3 CYS A 29 76.000 -2.309 -2.199 1.00 0.00 H new ATOM 0 HG CYS A 29 75.582 -4.909 -2.920 1.00 0.00 H new ATOM 452 N GLN A 30 75.731 -4.387 1.393 1.00 0.00 N ATOM 453 CA GLN A 30 75.052 -5.122 2.498 1.00 0.00 C ATOM 454 C GLN A 30 75.106 -4.288 3.780 1.00 0.00 C ATOM 455 O GLN A 30 74.237 -4.368 4.626 1.00 0.00 O ATOM 456 CB GLN A 30 75.848 -6.418 2.662 1.00 0.00 C ATOM 457 CG GLN A 30 74.905 -7.551 3.074 1.00 0.00 C ATOM 458 CD GLN A 30 75.207 -7.969 4.515 1.00 0.00 C ATOM 459 OE1 GLN A 30 75.583 -9.097 4.764 1.00 0.00 O ATOM 460 NE2 GLN A 30 75.060 -7.102 5.478 1.00 0.00 N ATOM 0 H GLN A 30 76.477 -4.900 0.923 1.00 0.00 H new ATOM 0 HA GLN A 30 74.001 -5.320 2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 30 76.349 -6.670 1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 30 76.625 -6.286 3.415 1.00 0.00 H new ATOM 0 HG2 GLN A 30 73.868 -7.225 2.989 1.00 0.00 H new ATOM 0 HG3 GLN A 30 75.028 -8.402 2.404 1.00 0.00 H new ATOM 0 HE21 GLN A 30 74.744 -6.155 5.268 1.00 0.00 H new ATOM 0 HE22 GLN A 30 75.261 -7.371 6.441 1.00 0.00 H new ATOM 469 N GLU A 31 76.123 -3.482 3.921 1.00 0.00 N ATOM 470 CA GLU A 31 76.242 -2.631 5.139 1.00 0.00 C ATOM 471 C GLU A 31 75.215 -1.499 5.083 1.00 0.00 C ATOM 472 O GLU A 31 74.663 -1.095 6.087 1.00 0.00 O ATOM 473 CB GLU A 31 77.664 -2.072 5.092 1.00 0.00 C ATOM 474 CG GLU A 31 78.152 -1.785 6.513 1.00 0.00 C ATOM 475 CD GLU A 31 78.813 -3.038 7.088 1.00 0.00 C ATOM 476 OE1 GLU A 31 79.550 -3.683 6.359 1.00 0.00 O ATOM 477 OE2 GLU A 31 78.573 -3.332 8.248 1.00 0.00 O ATOM 0 H GLU A 31 76.878 -3.376 3.244 1.00 0.00 H new ATOM 0 HA GLU A 31 76.056 -3.187 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 31 78.330 -2.785 4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 31 77.687 -1.158 4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 31 78.862 -0.958 6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 31 77.315 -1.481 7.142 1.00 0.00 H new ATOM 484 N LEU A 32 74.952 -0.988 3.911 1.00 0.00 N ATOM 485 CA LEU A 32 73.955 0.113 3.782 1.00 0.00 C ATOM 486 C LEU A 32 72.551 -0.424 4.069 1.00 0.00 C ATOM 487 O LEU A 32 71.707 0.269 4.600 1.00 0.00 O ATOM 488 CB LEU A 32 74.066 0.587 2.331 1.00 0.00 C ATOM 489 CG LEU A 32 75.305 1.471 2.176 1.00 0.00 C ATOM 490 CD1 LEU A 32 75.333 2.079 0.772 1.00 0.00 C ATOM 491 CD2 LEU A 32 75.265 2.592 3.216 1.00 0.00 C ATOM 0 H LEU A 32 75.385 -1.286 3.037 1.00 0.00 H new ATOM 0 HA LEU A 32 74.139 0.926 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 32 74.132 -0.270 1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 32 73.172 1.143 2.050 1.00 0.00 H new ATOM 0 HG LEU A 32 76.200 0.867 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 32 76.217 2.708 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 32 75.364 1.281 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 32 74.438 2.682 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 32 76.148 3.222 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 32 74.369 3.194 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 32 75.250 2.160 4.217 1.00 0.00 H new ATOM 503 N LEU A 33 72.298 -1.658 3.728 1.00 0.00 N ATOM 504 CA LEU A 33 70.951 -2.241 3.988 1.00 0.00 C ATOM 505 C LEU A 33 70.734 -2.392 5.496 1.00 0.00 C ATOM 506 O LEU A 33 69.759 -1.917 6.043 1.00 0.00 O ATOM 507 CB LEU A 33 70.973 -3.611 3.310 1.00 0.00 C ATOM 508 CG LEU A 33 71.207 -3.435 1.809 1.00 0.00 C ATOM 509 CD1 LEU A 33 71.614 -4.775 1.194 1.00 0.00 C ATOM 510 CD2 LEU A 33 69.919 -2.941 1.147 1.00 0.00 C ATOM 0 H LEU A 33 72.965 -2.287 3.281 1.00 0.00 H new ATOM 0 HA LEU A 33 70.145 -1.614 3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.760 -4.229 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.030 -4.129 3.483 1.00 0.00 H new ATOM 0 HG LEU A 33 72.002 -2.706 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 33 71.781 -4.649 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 33 72.532 -5.128 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.820 -5.505 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.085 -2.815 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 33 69.125 -3.670 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.629 -1.986 1.584 1.00 0.00 H new ATOM 522 N ARG A 34 71.640 -3.044 6.172 1.00 0.00 N ATOM 523 CA ARG A 34 71.487 -3.216 7.645 1.00 0.00 C ATOM 524 C ARG A 34 71.471 -1.850 8.327 1.00 0.00 C ATOM 525 O ARG A 34 70.500 -1.464 8.947 1.00 0.00 O ATOM 526 CB ARG A 34 72.712 -4.025 8.081 1.00 0.00 C ATOM 527 CG ARG A 34 72.421 -5.519 7.929 1.00 0.00 C ATOM 528 CD ARG A 34 72.375 -6.173 9.311 1.00 0.00 C ATOM 529 NE ARG A 34 72.047 -7.601 9.047 1.00 0.00 N ATOM 530 CZ ARG A 34 71.940 -8.440 10.041 1.00 0.00 C ATOM 531 NH1 ARG A 34 72.821 -8.429 11.002 1.00 0.00 N ATOM 532 NH2 ARG A 34 70.950 -9.291 10.073 1.00 0.00 N ATOM 0 H ARG A 34 72.478 -3.464 5.769 1.00 0.00 H new ATOM 0 HA ARG A 34 70.557 -3.718 7.912 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.576 -3.749 7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 34 72.961 -3.796 9.117 1.00 0.00 H new ATOM 0 HG2 ARG A 34 71.471 -5.665 7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 34 73.191 -5.990 7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 34 73.331 -6.076 9.826 1.00 0.00 H new ATOM 0 HD3 ARG A 34 71.622 -5.705 9.945 1.00 0.00 H new ATOM 0 HE ARG A 34 71.906 -7.924 8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 34 73.594 -7.764 10.977 1.00 0.00 H new ATOM 0 HH12 ARG A 34 72.737 -9.085 11.779 1.00 0.00 H new ATOM 0 HH21 ARG A 34 70.261 -9.300 9.321 1.00 0.00 H new ATOM 0 HH22 ARG A 34 70.866 -9.947 10.850 1.00 0.00 H new ATOM 546 N LYS A 35 72.536 -1.112 8.208 1.00 0.00 N ATOM 547 CA LYS A 35 72.579 0.238 8.840 1.00 0.00 C ATOM 548 C LYS A 35 71.370 1.057 8.382 1.00 0.00 C ATOM 549 O LYS A 35 70.897 1.932 9.079 1.00 0.00 O ATOM 550 CB LYS A 35 73.877 0.874 8.339 1.00 0.00 C ATOM 551 CG LYS A 35 75.073 0.045 8.812 1.00 0.00 C ATOM 552 CD LYS A 35 76.327 0.482 8.054 1.00 0.00 C ATOM 553 CE LYS A 35 76.614 1.956 8.345 1.00 0.00 C ATOM 554 NZ LYS A 35 77.989 1.975 8.918 1.00 0.00 N ATOM 0 H LYS A 35 73.379 -1.382 7.702 1.00 0.00 H new ATOM 0 HA LYS A 35 72.548 0.191 9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.869 0.931 7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.960 1.895 8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 35 75.219 0.176 9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 35 74.884 -1.015 8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 35 77.177 -0.131 8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 35 76.188 0.333 6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 35 76.557 2.556 7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 35 75.888 2.368 9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 78.258 2.954 9.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 78.012 1.401 9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 78.659 1.583 8.226 1.00 0.00 H new ATOM 568 N GLY A 36 70.868 0.773 7.211 1.00 0.00 N ATOM 569 CA GLY A 36 69.691 1.528 6.697 1.00 0.00 C ATOM 570 C GLY A 36 68.481 1.257 7.590 1.00 0.00 C ATOM 571 O GLY A 36 67.747 2.158 7.944 1.00 0.00 O ATOM 0 H GLY A 36 71.224 0.049 6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 36 69.910 2.596 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 36 69.474 1.229 5.672 1.00 0.00 H new ATOM 575 N CYS A 37 68.263 0.023 7.959 1.00 0.00 N ATOM 576 CA CYS A 37 67.095 -0.293 8.830 1.00 0.00 C ATOM 577 C CYS A 37 67.361 0.179 10.261 1.00 0.00 C ATOM 578 O CYS A 37 66.450 0.368 11.041 1.00 0.00 O ATOM 579 CB CYS A 37 66.959 -1.815 8.789 1.00 0.00 C ATOM 580 SG CYS A 37 65.726 -2.334 10.010 1.00 0.00 S ATOM 0 H CYS A 37 68.840 -0.776 7.696 1.00 0.00 H new ATOM 0 HA CYS A 37 66.186 0.204 8.491 1.00 0.00 H new ATOM 0 HB2 CYS A 37 66.660 -2.139 7.792 1.00 0.00 H new ATOM 0 HB3 CYS A 37 67.920 -2.284 9.002 1.00 0.00 H new ATOM 0 HG CYS A 37 64.856 -3.116 9.443 1.00 0.00 H new ATOM 586 N VAL A 38 68.602 0.370 10.614 1.00 0.00 N ATOM 587 CA VAL A 38 68.922 0.828 11.997 1.00 0.00 C ATOM 588 C VAL A 38 68.495 2.287 12.182 1.00 0.00 C ATOM 589 O VAL A 38 67.836 2.634 13.142 1.00 0.00 O ATOM 590 CB VAL A 38 70.439 0.690 12.121 1.00 0.00 C ATOM 591 CG1 VAL A 38 70.874 1.089 13.532 1.00 0.00 C ATOM 592 CG2 VAL A 38 70.841 -0.764 11.858 1.00 0.00 C ATOM 0 H VAL A 38 69.409 0.229 10.006 1.00 0.00 H new ATOM 0 HA VAL A 38 68.399 0.246 12.756 1.00 0.00 H new ATOM 0 HB VAL A 38 70.924 1.341 11.393 1.00 0.00 H new ATOM 0 HG11 VAL A 38 71.956 0.991 13.621 1.00 0.00 H new ATOM 0 HG12 VAL A 38 70.587 2.123 13.723 1.00 0.00 H new ATOM 0 HG13 VAL A 38 70.390 0.438 14.260 1.00 0.00 H new ATOM 0 HG21 VAL A 38 71.923 -0.864 11.946 1.00 0.00 H new ATOM 0 HG22 VAL A 38 70.356 -1.413 12.587 1.00 0.00 H new ATOM 0 HG23 VAL A 38 70.531 -1.051 10.853 1.00 0.00 H new ATOM 602 N ARG A 39 68.868 3.145 11.272 1.00 0.00 N ATOM 603 CA ARG A 39 68.483 4.581 11.399 1.00 0.00 C ATOM 604 C ARG A 39 67.008 4.769 11.032 1.00 0.00 C ATOM 605 O ARG A 39 66.356 5.684 11.495 1.00 0.00 O ATOM 606 CB ARG A 39 69.383 5.323 10.410 1.00 0.00 C ATOM 607 CG ARG A 39 70.101 6.465 11.132 1.00 0.00 C ATOM 608 CD ARG A 39 71.594 6.148 11.234 1.00 0.00 C ATOM 609 NE ARG A 39 72.235 7.438 11.612 1.00 0.00 N ATOM 610 CZ ARG A 39 72.210 8.446 10.784 1.00 0.00 C ATOM 611 NH1 ARG A 39 71.184 9.251 10.768 1.00 0.00 N ATOM 612 NH2 ARG A 39 73.210 8.647 9.972 1.00 0.00 N ATOM 0 H ARG A 39 69.422 2.915 10.447 1.00 0.00 H new ATOM 0 HA ARG A 39 68.605 4.952 12.417 1.00 0.00 H new ATOM 0 HB2 ARG A 39 70.111 4.636 9.979 1.00 0.00 H new ATOM 0 HB3 ARG A 39 68.789 5.716 9.585 1.00 0.00 H new ATOM 0 HG2 ARG A 39 69.953 7.400 10.592 1.00 0.00 H new ATOM 0 HG3 ARG A 39 69.679 6.602 12.128 1.00 0.00 H new ATOM 0 HD2 ARG A 39 71.784 5.378 11.982 1.00 0.00 H new ATOM 0 HD3 ARG A 39 71.984 5.775 10.287 1.00 0.00 H new ATOM 0 HE ARG A 39 72.694 7.533 12.518 1.00 0.00 H new ATOM 0 HH11 ARG A 39 70.401 9.092 11.403 1.00 0.00 H new ATOM 0 HH12 ARG A 39 71.164 10.039 10.121 1.00 0.00 H new ATOM 0 HH21 ARG A 39 74.012 8.016 9.984 1.00 0.00 H new ATOM 0 HH22 ARG A 39 73.191 9.435 9.325 1.00 0.00 H new ATOM 626 N PHE A 40 66.479 3.912 10.203 1.00 0.00 N ATOM 627 CA PHE A 40 65.046 4.043 9.807 1.00 0.00 C ATOM 628 C PHE A 40 64.161 3.201 10.730 1.00 0.00 C ATOM 629 O PHE A 40 62.951 3.210 10.620 1.00 0.00 O ATOM 630 CB PHE A 40 64.980 3.506 8.375 1.00 0.00 C ATOM 631 CG PHE A 40 65.151 4.640 7.388 1.00 0.00 C ATOM 632 CD1 PHE A 40 65.722 5.853 7.795 1.00 0.00 C ATOM 633 CD2 PHE A 40 64.736 4.474 6.061 1.00 0.00 C ATOM 634 CE1 PHE A 40 65.876 6.897 6.876 1.00 0.00 C ATOM 635 CE2 PHE A 40 64.891 5.519 5.143 1.00 0.00 C ATOM 636 CZ PHE A 40 65.461 6.730 5.550 1.00 0.00 C ATOM 0 H PHE A 40 66.976 3.127 9.782 1.00 0.00 H new ATOM 0 HA PHE A 40 64.693 5.072 9.877 1.00 0.00 H new ATOM 0 HB2 PHE A 40 65.759 2.759 8.222 1.00 0.00 H new ATOM 0 HB3 PHE A 40 64.024 3.009 8.208 1.00 0.00 H new ATOM 0 HD1 PHE A 40 66.043 5.982 8.818 1.00 0.00 H new ATOM 0 HD2 PHE A 40 64.296 3.539 5.746 1.00 0.00 H new ATOM 0 HE1 PHE A 40 66.315 7.832 7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 40 64.570 5.390 4.120 1.00 0.00 H new ATOM 0 HZ PHE A 40 65.581 7.536 4.841 1.00 0.00 H new ATOM 646 N GLN A 41 64.753 2.468 11.631 1.00 0.00 N ATOM 647 CA GLN A 41 63.943 1.619 12.551 1.00 0.00 C ATOM 648 C GLN A 41 62.884 0.854 11.754 1.00 0.00 C ATOM 649 O GLN A 41 61.709 1.154 11.819 1.00 0.00 O ATOM 650 CB GLN A 41 63.279 2.599 13.520 1.00 0.00 C ATOM 651 CG GLN A 41 64.348 3.471 14.180 1.00 0.00 C ATOM 652 CD GLN A 41 65.255 2.597 15.050 1.00 0.00 C ATOM 653 OE1 GLN A 41 64.817 1.603 15.594 1.00 0.00 O ATOM 654 NE2 GLN A 41 66.507 2.929 15.205 1.00 0.00 N ATOM 0 H GLN A 41 65.762 2.419 11.771 1.00 0.00 H new ATOM 0 HA GLN A 41 64.549 0.880 13.076 1.00 0.00 H new ATOM 0 HB2 GLN A 41 62.563 3.225 12.987 1.00 0.00 H new ATOM 0 HB3 GLN A 41 62.721 2.053 14.280 1.00 0.00 H new ATOM 0 HG2 GLN A 41 64.938 3.980 13.418 1.00 0.00 H new ATOM 0 HG3 GLN A 41 63.878 4.244 14.788 1.00 0.00 H new ATOM 0 HE21 GLN A 41 66.874 3.764 14.748 1.00 0.00 H new ATOM 0 HE22 GLN A 41 67.119 2.354 15.783 1.00 0.00 H new ATOM 663 N LEU A 42 63.291 -0.129 10.997 1.00 0.00 N ATOM 664 CA LEU A 42 62.304 -0.905 10.191 1.00 0.00 C ATOM 665 C LEU A 42 62.249 -2.358 10.667 1.00 0.00 C ATOM 666 O LEU A 42 63.139 -3.138 10.393 1.00 0.00 O ATOM 667 CB LEU A 42 62.827 -0.827 8.756 1.00 0.00 C ATOM 668 CG LEU A 42 61.660 -0.965 7.776 1.00 0.00 C ATOM 669 CD1 LEU A 42 60.979 -2.317 7.981 1.00 0.00 C ATOM 670 CD2 LEU A 42 60.649 0.158 8.027 1.00 0.00 C ATOM 0 H LEU A 42 64.262 -0.428 10.902 1.00 0.00 H new ATOM 0 HA LEU A 42 61.292 -0.509 10.282 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.339 0.122 8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.557 -1.617 8.581 1.00 0.00 H new ATOM 0 HG LEU A 42 62.034 -0.898 6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 42 60.148 -2.415 7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 42 61.698 -3.117 7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.605 -2.385 9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 42 59.817 0.061 7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.276 0.090 9.049 1.00 0.00 H new ATOM 0 HD23 LEU A 42 61.134 1.123 7.881 1.00 0.00 H new ATOM 682 N PRO A 43 61.192 -2.676 11.365 1.00 0.00 N ATOM 683 CA PRO A 43 61.010 -4.054 11.883 1.00 0.00 C ATOM 684 C PRO A 43 60.689 -5.016 10.733 1.00 0.00 C ATOM 685 O PRO A 43 60.239 -4.613 9.680 1.00 0.00 O ATOM 686 CB PRO A 43 59.836 -3.921 12.851 1.00 0.00 C ATOM 687 CG PRO A 43 59.083 -2.713 12.392 1.00 0.00 C ATOM 688 CD PRO A 43 60.078 -1.794 11.730 1.00 0.00 C ATOM 0 HA PRO A 43 61.899 -4.458 12.367 1.00 0.00 H new ATOM 0 HB2 PRO A 43 59.205 -4.810 12.829 1.00 0.00 H new ATOM 0 HB3 PRO A 43 60.184 -3.802 13.877 1.00 0.00 H new ATOM 0 HG2 PRO A 43 58.294 -2.993 11.694 1.00 0.00 H new ATOM 0 HG3 PRO A 43 58.601 -2.216 13.234 1.00 0.00 H new ATOM 0 HD2 PRO A 43 59.650 -1.309 10.853 1.00 0.00 H new ATOM 0 HD3 PRO A 43 60.401 -1.003 12.406 1.00 0.00 H new ATOM 696 N MET A 44 60.932 -6.284 10.923 1.00 0.00 N ATOM 697 CA MET A 44 60.658 -7.274 9.839 1.00 0.00 C ATOM 698 C MET A 44 59.206 -7.783 9.879 1.00 0.00 C ATOM 699 O MET A 44 58.601 -7.982 8.844 1.00 0.00 O ATOM 700 CB MET A 44 61.632 -8.422 10.105 1.00 0.00 C ATOM 701 CG MET A 44 61.568 -9.428 8.954 1.00 0.00 C ATOM 702 SD MET A 44 62.535 -10.896 9.386 1.00 0.00 S ATOM 703 CE MET A 44 61.884 -11.989 8.099 1.00 0.00 C ATOM 0 H MET A 44 61.310 -6.680 11.784 1.00 0.00 H new ATOM 0 HA MET A 44 60.789 -6.828 8.853 1.00 0.00 H new ATOM 0 HB2 MET A 44 62.646 -8.035 10.207 1.00 0.00 H new ATOM 0 HB3 MET A 44 61.382 -8.914 11.045 1.00 0.00 H new ATOM 0 HG2 MET A 44 60.533 -9.706 8.756 1.00 0.00 H new ATOM 0 HG3 MET A 44 61.957 -8.978 8.041 1.00 0.00 H new ATOM 0 HE1 MET A 44 62.354 -12.969 8.182 1.00 0.00 H new ATOM 0 HE2 MET A 44 60.806 -12.092 8.221 1.00 0.00 H new ATOM 0 HE3 MET A 44 62.099 -11.565 7.118 1.00 0.00 H new ATOM 713 N PRO A 45 58.693 -8.001 11.065 1.00 0.00 N ATOM 714 CA PRO A 45 57.308 -8.514 11.203 1.00 0.00 C ATOM 715 C PRO A 45 56.277 -7.404 10.974 1.00 0.00 C ATOM 716 O PRO A 45 55.366 -7.546 10.184 1.00 0.00 O ATOM 717 CB PRO A 45 57.255 -9.021 12.640 1.00 0.00 C ATOM 718 CG PRO A 45 58.304 -8.246 13.376 1.00 0.00 C ATOM 719 CD PRO A 45 59.334 -7.794 12.370 1.00 0.00 C ATOM 0 HA PRO A 45 57.072 -9.286 10.471 1.00 0.00 H new ATOM 0 HB2 PRO A 45 56.269 -8.860 13.077 1.00 0.00 H new ATOM 0 HB3 PRO A 45 57.453 -10.092 12.686 1.00 0.00 H new ATOM 0 HG2 PRO A 45 57.861 -7.388 13.881 1.00 0.00 H new ATOM 0 HG3 PRO A 45 58.767 -8.864 14.145 1.00 0.00 H new ATOM 0 HD2 PRO A 45 59.601 -6.748 12.519 1.00 0.00 H new ATOM 0 HD3 PRO A 45 60.253 -8.373 12.456 1.00 0.00 H new ATOM 727 N GLY A 46 56.406 -6.303 11.661 1.00 0.00 N ATOM 728 CA GLY A 46 55.425 -5.195 11.481 1.00 0.00 C ATOM 729 C GLY A 46 56.027 -4.117 10.580 1.00 0.00 C ATOM 730 O GLY A 46 56.249 -2.999 11.000 1.00 0.00 O ATOM 0 H GLY A 46 57.147 -6.122 12.338 1.00 0.00 H new ATOM 0 HA2 GLY A 46 54.505 -5.579 11.041 1.00 0.00 H new ATOM 0 HA3 GLY A 46 55.161 -4.769 12.449 1.00 0.00 H new ATOM 734 N SER A 47 56.296 -4.443 9.346 1.00 0.00 N ATOM 735 CA SER A 47 56.887 -3.431 8.425 1.00 0.00 C ATOM 736 C SER A 47 57.019 -4.000 7.010 1.00 0.00 C ATOM 737 O SER A 47 56.643 -5.123 6.741 1.00 0.00 O ATOM 738 CB SER A 47 58.265 -3.138 9.005 1.00 0.00 C ATOM 739 OG SER A 47 58.415 -1.735 9.183 1.00 0.00 O ATOM 0 H SER A 47 56.133 -5.363 8.936 1.00 0.00 H new ATOM 0 HA SER A 47 56.268 -2.537 8.348 1.00 0.00 H new ATOM 0 HB2 SER A 47 58.387 -3.652 9.959 1.00 0.00 H new ATOM 0 HB3 SER A 47 59.040 -3.516 8.338 1.00 0.00 H new ATOM 0 HG SER A 47 57.855 -1.438 9.931 1.00 0.00 H new ATOM 745 N ARG A 48 57.560 -3.229 6.105 1.00 0.00 N ATOM 746 CA ARG A 48 57.730 -3.712 4.708 1.00 0.00 C ATOM 747 C ARG A 48 58.430 -2.634 3.875 1.00 0.00 C ATOM 748 O ARG A 48 58.126 -1.460 3.975 1.00 0.00 O ATOM 749 CB ARG A 48 56.308 -3.972 4.197 1.00 0.00 C ATOM 750 CG ARG A 48 56.299 -3.966 2.666 1.00 0.00 C ATOM 751 CD ARG A 48 55.504 -5.166 2.150 1.00 0.00 C ATOM 752 NE ARG A 48 54.306 -4.576 1.490 1.00 0.00 N ATOM 753 CZ ARG A 48 53.565 -5.308 0.705 1.00 0.00 C ATOM 754 NH1 ARG A 48 52.756 -6.198 1.214 1.00 0.00 N ATOM 755 NH2 ARG A 48 53.630 -5.150 -0.589 1.00 0.00 N ATOM 0 H ARG A 48 57.893 -2.280 6.277 1.00 0.00 H new ATOM 0 HA ARG A 48 58.342 -4.611 4.643 1.00 0.00 H new ATOM 0 HB2 ARG A 48 55.948 -4.931 4.568 1.00 0.00 H new ATOM 0 HB3 ARG A 48 55.630 -3.208 4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 48 55.857 -3.040 2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 48 57.320 -4.004 2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 48 56.092 -5.757 1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 48 55.219 -5.831 2.965 1.00 0.00 H new ATOM 0 HE ARG A 48 54.065 -3.598 1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 48 52.704 -6.321 2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 48 52.176 -6.771 0.600 1.00 0.00 H new ATOM 0 HH21 ARG A 48 54.261 -4.454 -0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 48 53.050 -5.723 -1.202 1.00 0.00 H new ATOM 769 N LEU A 49 59.370 -3.022 3.060 1.00 0.00 N ATOM 770 CA LEU A 49 60.091 -2.021 2.224 1.00 0.00 C ATOM 771 C LEU A 49 59.689 -2.188 0.757 1.00 0.00 C ATOM 772 O LEU A 49 59.132 -3.194 0.370 1.00 0.00 O ATOM 773 CB LEU A 49 61.574 -2.339 2.417 1.00 0.00 C ATOM 774 CG LEU A 49 62.087 -1.650 3.683 1.00 0.00 C ATOM 775 CD1 LEU A 49 63.158 -2.521 4.343 1.00 0.00 C ATOM 776 CD2 LEU A 49 62.692 -0.293 3.315 1.00 0.00 C ATOM 0 H LEU A 49 59.671 -3.989 2.936 1.00 0.00 H new ATOM 0 HA LEU A 49 59.859 -0.994 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 49 61.718 -3.417 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.144 -2.002 1.551 1.00 0.00 H new ATOM 0 HG LEU A 49 61.259 -1.505 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 49 63.522 -2.029 5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.729 -3.488 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 49 63.986 -2.667 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.058 0.199 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.519 -0.440 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 49 61.930 0.330 2.846 1.00 0.00 H new ATOM 788 N CYS A 50 59.964 -1.212 -0.061 1.00 0.00 N ATOM 789 CA CYS A 50 59.592 -1.329 -1.498 1.00 0.00 C ATOM 790 C CYS A 50 60.498 -0.445 -2.356 1.00 0.00 C ATOM 791 O CYS A 50 60.784 0.686 -2.018 1.00 0.00 O ATOM 792 CB CYS A 50 58.145 -0.842 -1.575 1.00 0.00 C ATOM 793 SG CYS A 50 57.997 0.744 -0.716 1.00 0.00 S ATOM 0 H CYS A 50 60.428 -0.342 0.201 1.00 0.00 H new ATOM 0 HA CYS A 50 59.701 -2.349 -1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 50 57.841 -0.734 -2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 50 57.478 -1.576 -1.123 1.00 0.00 H new ATOM 0 HG CYS A 50 57.540 1.642 -1.538 1.00 0.00 H new ATOM 799 N LEU A 51 60.947 -0.954 -3.468 1.00 0.00 N ATOM 800 CA LEU A 51 61.830 -0.149 -4.358 1.00 0.00 C ATOM 801 C LEU A 51 61.051 1.035 -4.938 1.00 0.00 C ATOM 802 O LEU A 51 60.144 0.863 -5.728 1.00 0.00 O ATOM 803 CB LEU A 51 62.243 -1.113 -5.462 1.00 0.00 C ATOM 804 CG LEU A 51 63.556 -1.788 -5.078 1.00 0.00 C ATOM 805 CD1 LEU A 51 63.301 -3.259 -4.740 1.00 0.00 C ATOM 806 CD2 LEU A 51 64.524 -1.696 -6.253 1.00 0.00 C ATOM 0 H LEU A 51 60.740 -1.896 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 51 62.690 0.266 -3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 51 61.467 -1.863 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 51 62.358 -0.577 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 51 63.983 -1.290 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 51 64.241 -3.738 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 51 62.604 -3.325 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 51 62.876 -3.763 -5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 51 65.466 -2.176 -5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 51 64.093 -2.197 -7.120 1.00 0.00 H new ATOM 0 HD23 LEU A 51 64.706 -0.649 -6.493 1.00 0.00 H new ATOM 818 N TYR A 52 61.394 2.231 -4.549 1.00 0.00 N ATOM 819 CA TYR A 52 60.669 3.422 -5.077 1.00 0.00 C ATOM 820 C TYR A 52 60.795 3.487 -6.601 1.00 0.00 C ATOM 821 O TYR A 52 60.040 4.167 -7.267 1.00 0.00 O ATOM 822 CB TYR A 52 61.357 4.623 -4.429 1.00 0.00 C ATOM 823 CG TYR A 52 60.688 5.897 -4.890 1.00 0.00 C ATOM 824 CD1 TYR A 52 59.377 6.184 -4.489 1.00 0.00 C ATOM 825 CD2 TYR A 52 61.379 6.794 -5.714 1.00 0.00 C ATOM 826 CE1 TYR A 52 58.758 7.366 -4.913 1.00 0.00 C ATOM 827 CE2 TYR A 52 60.759 7.976 -6.138 1.00 0.00 C ATOM 828 CZ TYR A 52 59.449 8.262 -5.736 1.00 0.00 C ATOM 829 OH TYR A 52 58.838 9.428 -6.153 1.00 0.00 O ATOM 0 H TYR A 52 62.144 2.436 -3.889 1.00 0.00 H new ATOM 0 HA TYR A 52 59.603 3.391 -4.849 1.00 0.00 H new ATOM 0 HB2 TYR A 52 61.303 4.544 -3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 52 62.414 4.638 -4.696 1.00 0.00 H new ATOM 0 HD1 TYR A 52 58.844 5.493 -3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 52 62.390 6.574 -6.023 1.00 0.00 H new ATOM 0 HE1 TYR A 52 57.747 7.586 -4.605 1.00 0.00 H new ATOM 0 HE2 TYR A 52 61.291 8.667 -6.775 1.00 0.00 H new ATOM 0 HH TYR A 52 59.456 9.938 -6.717 1.00 0.00 H new ATOM 839 N GLU A 53 61.744 2.786 -7.158 1.00 0.00 N ATOM 840 CA GLU A 53 61.915 2.813 -8.640 1.00 0.00 C ATOM 841 C GLU A 53 60.578 2.533 -9.331 1.00 0.00 C ATOM 842 O GLU A 53 60.133 3.291 -10.171 1.00 0.00 O ATOM 843 CB GLU A 53 62.922 1.703 -8.948 1.00 0.00 C ATOM 844 CG GLU A 53 63.163 1.639 -10.458 1.00 0.00 C ATOM 845 CD GLU A 53 63.414 0.189 -10.877 1.00 0.00 C ATOM 846 OE1 GLU A 53 62.453 -0.561 -10.948 1.00 0.00 O ATOM 847 OE2 GLU A 53 64.560 -0.147 -11.121 1.00 0.00 O ATOM 0 H GLU A 53 62.407 2.197 -6.654 1.00 0.00 H new ATOM 0 HA GLU A 53 62.260 3.783 -8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 53 63.860 1.893 -8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 53 62.546 0.745 -8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 53 62.300 2.038 -10.991 1.00 0.00 H new ATOM 0 HG3 GLU A 53 64.018 2.259 -10.726 1.00 0.00 H new ATOM 854 N ASP A 54 59.933 1.452 -8.986 1.00 0.00 N ATOM 855 CA ASP A 54 58.625 1.128 -9.626 1.00 0.00 C ATOM 856 C ASP A 54 57.633 0.615 -8.578 1.00 0.00 C ATOM 857 O ASP A 54 56.686 -0.079 -8.893 1.00 0.00 O ATOM 858 CB ASP A 54 58.943 0.033 -10.644 1.00 0.00 C ATOM 859 CG ASP A 54 58.491 0.481 -12.036 1.00 0.00 C ATOM 860 OD1 ASP A 54 57.341 0.870 -12.167 1.00 0.00 O ATOM 861 OD2 ASP A 54 59.303 0.429 -12.945 1.00 0.00 O ATOM 0 H ASP A 54 60.254 0.780 -8.290 1.00 0.00 H new ATOM 0 HA ASP A 54 58.168 2.000 -10.094 1.00 0.00 H new ATOM 0 HB2 ASP A 54 60.013 -0.175 -10.647 1.00 0.00 H new ATOM 0 HB3 ASP A 54 58.439 -0.893 -10.367 1.00 0.00 H new ATOM 866 N GLY A 55 57.839 0.953 -7.335 1.00 0.00 N ATOM 867 CA GLY A 55 56.905 0.486 -6.271 1.00 0.00 C ATOM 868 C GLY A 55 57.112 -1.008 -6.020 1.00 0.00 C ATOM 869 O GLY A 55 56.215 -1.702 -5.583 1.00 0.00 O ATOM 0 H GLY A 55 58.613 1.532 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 55 57.077 1.046 -5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 55 55.874 0.674 -6.571 1.00 0.00 H new ATOM 873 N THR A 56 58.286 -1.512 -6.287 1.00 0.00 N ATOM 874 CA THR A 56 58.538 -2.963 -6.053 1.00 0.00 C ATOM 875 C THR A 56 58.513 -3.258 -4.550 1.00 0.00 C ATOM 876 O THR A 56 58.558 -2.360 -3.733 1.00 0.00 O ATOM 877 CB THR A 56 59.923 -3.236 -6.643 1.00 0.00 C ATOM 878 OG1 THR A 56 60.375 -2.090 -7.352 1.00 0.00 O ATOM 879 CG2 THR A 56 59.845 -4.427 -7.598 1.00 0.00 C ATOM 0 H THR A 56 59.078 -0.985 -6.655 1.00 0.00 H new ATOM 0 HA THR A 56 57.780 -3.596 -6.515 1.00 0.00 H new ATOM 0 HB THR A 56 60.621 -3.461 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 56 61.263 -2.267 -7.727 1.00 0.00 H new ATOM 0 HG21 THR A 56 60.832 -4.622 -8.018 1.00 0.00 H new ATOM 0 HG22 THR A 56 59.502 -5.307 -7.054 1.00 0.00 H new ATOM 0 HG23 THR A 56 59.145 -4.203 -8.403 1.00 0.00 H new ATOM 887 N GLU A 57 58.425 -4.506 -4.174 1.00 0.00 N ATOM 888 CA GLU A 57 58.382 -4.838 -2.719 1.00 0.00 C ATOM 889 C GLU A 57 59.635 -5.609 -2.296 1.00 0.00 C ATOM 890 O GLU A 57 60.072 -6.526 -2.964 1.00 0.00 O ATOM 891 CB GLU A 57 57.135 -5.706 -2.549 1.00 0.00 C ATOM 892 CG GLU A 57 57.182 -6.871 -3.539 1.00 0.00 C ATOM 893 CD GLU A 57 56.297 -6.554 -4.745 1.00 0.00 C ATOM 894 OE1 GLU A 57 56.242 -5.397 -5.127 1.00 0.00 O ATOM 895 OE2 GLU A 57 55.688 -7.474 -5.267 1.00 0.00 O ATOM 0 H GLU A 57 58.381 -5.305 -4.806 1.00 0.00 H new ATOM 0 HA GLU A 57 58.349 -3.942 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 57 57.080 -6.085 -1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 57 56.238 -5.109 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 57 58.208 -7.045 -3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 57 56.841 -7.787 -3.055 1.00 0.00 H new ATOM 902 N VAL A 58 60.208 -5.242 -1.182 1.00 0.00 N ATOM 903 CA VAL A 58 61.431 -5.942 -0.693 1.00 0.00 C ATOM 904 C VAL A 58 61.574 -5.736 0.819 1.00 0.00 C ATOM 905 O VAL A 58 60.831 -4.988 1.422 1.00 0.00 O ATOM 906 CB VAL A 58 62.591 -5.283 -1.440 1.00 0.00 C ATOM 907 CG1 VAL A 58 63.915 -5.868 -0.945 1.00 0.00 C ATOM 908 CG2 VAL A 58 62.448 -5.548 -2.939 1.00 0.00 C ATOM 0 H VAL A 58 59.879 -4.482 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 58 61.398 -7.017 -0.870 1.00 0.00 H new ATOM 0 HB VAL A 58 62.577 -4.209 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.742 -5.398 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 58 64.019 -5.681 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 58 63.929 -6.942 -1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 58 63.275 -5.078 -3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 58 62.462 -6.623 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 58 61.505 -5.132 -3.294 1.00 0.00 H new ATOM 918 N THR A 59 62.518 -6.392 1.438 1.00 0.00 N ATOM 919 CA THR A 59 62.693 -6.223 2.912 1.00 0.00 C ATOM 920 C THR A 59 64.150 -5.885 3.243 1.00 0.00 C ATOM 921 O THR A 59 65.050 -6.148 2.470 1.00 0.00 O ATOM 922 CB THR A 59 62.305 -7.575 3.516 1.00 0.00 C ATOM 923 OG1 THR A 59 63.103 -8.598 2.936 1.00 0.00 O ATOM 924 CG2 THR A 59 60.828 -7.855 3.235 1.00 0.00 C ATOM 0 H THR A 59 63.173 -7.034 0.992 1.00 0.00 H new ATOM 0 HA THR A 59 62.084 -5.409 3.306 1.00 0.00 H new ATOM 0 HB THR A 59 62.470 -7.553 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 59 62.555 -9.397 2.790 1.00 0.00 H new ATOM 0 HG21 THR A 59 60.552 -8.818 3.665 1.00 0.00 H new ATOM 0 HG22 THR A 59 60.218 -7.070 3.681 1.00 0.00 H new ATOM 0 HG23 THR A 59 60.660 -7.877 2.158 1.00 0.00 H new ATOM 932 N ASP A 60 64.387 -5.303 4.387 1.00 0.00 N ATOM 933 CA ASP A 60 65.781 -4.945 4.773 1.00 0.00 C ATOM 934 C ASP A 60 66.641 -6.208 4.881 1.00 0.00 C ATOM 935 O ASP A 60 67.850 -6.141 4.984 1.00 0.00 O ATOM 936 CB ASP A 60 65.652 -4.264 6.136 1.00 0.00 C ATOM 937 CG ASP A 60 65.012 -5.234 7.130 1.00 0.00 C ATOM 938 OD1 ASP A 60 64.865 -6.394 6.784 1.00 0.00 O ATOM 939 OD2 ASP A 60 64.681 -4.801 8.222 1.00 0.00 O ATOM 0 H ASP A 60 63.673 -5.059 5.073 1.00 0.00 H new ATOM 0 HA ASP A 60 66.260 -4.298 4.038 1.00 0.00 H new ATOM 0 HB2 ASP A 60 66.634 -3.954 6.494 1.00 0.00 H new ATOM 0 HB3 ASP A 60 65.045 -3.363 6.049 1.00 0.00 H new ATOM 944 N ASP A 61 66.025 -7.361 4.862 1.00 0.00 N ATOM 945 CA ASP A 61 66.806 -8.627 4.965 1.00 0.00 C ATOM 946 C ASP A 61 66.831 -9.346 3.614 1.00 0.00 C ATOM 947 O ASP A 61 67.348 -10.439 3.491 1.00 0.00 O ATOM 948 CB ASP A 61 66.062 -9.466 6.005 1.00 0.00 C ATOM 949 CG ASP A 61 67.034 -10.452 6.655 1.00 0.00 C ATOM 950 OD1 ASP A 61 68.220 -10.167 6.663 1.00 0.00 O ATOM 951 OD2 ASP A 61 66.577 -11.478 7.134 1.00 0.00 O ATOM 0 H ASP A 61 65.015 -7.480 4.780 1.00 0.00 H new ATOM 0 HA ASP A 61 67.844 -8.450 5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 61 65.623 -8.818 6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 61 65.241 -10.006 5.533 1.00 0.00 H new ATOM 956 N CYS A 62 66.279 -8.742 2.598 1.00 0.00 N ATOM 957 CA CYS A 62 66.276 -9.391 1.255 1.00 0.00 C ATOM 958 C CYS A 62 67.171 -8.611 0.290 1.00 0.00 C ATOM 959 O CYS A 62 67.892 -9.185 -0.501 1.00 0.00 O ATOM 960 CB CYS A 62 64.818 -9.343 0.795 1.00 0.00 C ATOM 961 SG CYS A 62 64.635 -10.310 -0.724 1.00 0.00 S ATOM 0 H CYS A 62 65.830 -7.827 2.639 1.00 0.00 H new ATOM 0 HA CYS A 62 66.659 -10.411 1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 62 64.166 -9.741 1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 62 64.514 -8.311 0.621 1.00 0.00 H new ATOM 0 HG CYS A 62 63.396 -10.272 -1.116 1.00 0.00 H new ATOM 967 N PHE A 63 67.129 -7.306 0.353 1.00 0.00 N ATOM 968 CA PHE A 63 67.979 -6.480 -0.556 1.00 0.00 C ATOM 969 C PHE A 63 69.365 -7.111 -0.704 1.00 0.00 C ATOM 970 O PHE A 63 70.211 -6.963 0.155 1.00 0.00 O ATOM 971 CB PHE A 63 68.078 -5.120 0.133 1.00 0.00 C ATOM 972 CG PHE A 63 66.778 -4.371 -0.043 1.00 0.00 C ATOM 973 CD1 PHE A 63 66.364 -3.977 -1.320 1.00 0.00 C ATOM 974 CD2 PHE A 63 65.986 -4.073 1.073 1.00 0.00 C ATOM 975 CE1 PHE A 63 65.158 -3.286 -1.483 1.00 0.00 C ATOM 976 CE2 PHE A 63 64.779 -3.382 0.910 1.00 0.00 C ATOM 977 CZ PHE A 63 64.366 -2.988 -0.368 1.00 0.00 C ATOM 0 H PHE A 63 66.542 -6.775 0.996 1.00 0.00 H new ATOM 0 HA PHE A 63 67.560 -6.402 -1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 63 68.293 -5.252 1.193 1.00 0.00 H new ATOM 0 HB3 PHE A 63 68.902 -4.545 -0.290 1.00 0.00 H new ATOM 0 HD1 PHE A 63 66.975 -4.206 -2.180 1.00 0.00 H new ATOM 0 HD2 PHE A 63 66.306 -4.376 2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 63 64.838 -2.983 -2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 63 64.167 -3.153 1.770 1.00 0.00 H new ATOM 0 HZ PHE A 63 63.436 -2.454 -0.494 1.00 0.00 H new ATOM 987 N PRO A 64 69.546 -7.804 -1.795 1.00 0.00 N ATOM 988 CA PRO A 64 70.838 -8.475 -2.066 1.00 0.00 C ATOM 989 C PRO A 64 71.899 -7.449 -2.476 1.00 0.00 C ATOM 990 O PRO A 64 72.601 -6.903 -1.649 1.00 0.00 O ATOM 991 CB PRO A 64 70.516 -9.420 -3.220 1.00 0.00 C ATOM 992 CG PRO A 64 69.333 -8.809 -3.906 1.00 0.00 C ATOM 993 CD PRO A 64 68.572 -8.021 -2.870 1.00 0.00 C ATOM 0 HA PRO A 64 71.242 -8.995 -1.197 1.00 0.00 H new ATOM 0 HB2 PRO A 64 71.362 -9.513 -3.901 1.00 0.00 H new ATOM 0 HB3 PRO A 64 70.287 -10.422 -2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 64 69.654 -8.162 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 64 68.700 -9.582 -4.342 1.00 0.00 H new ATOM 0 HD2 PRO A 64 68.209 -7.076 -3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 64 67.701 -8.570 -2.513 1.00 0.00 H new ATOM 1001 N GLY A 65 72.019 -7.183 -3.749 1.00 0.00 N ATOM 1002 CA GLY A 65 73.034 -6.193 -4.208 1.00 0.00 C ATOM 1003 C GLY A 65 72.365 -5.162 -5.119 1.00 0.00 C ATOM 1004 O GLY A 65 72.645 -5.086 -6.298 1.00 0.00 O ATOM 0 H GLY A 65 71.459 -7.607 -4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 65 73.487 -5.696 -3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 65 73.837 -6.700 -4.743 1.00 0.00 H new ATOM 1008 N LEU A 66 71.482 -4.367 -4.579 1.00 0.00 N ATOM 1009 CA LEU A 66 70.795 -3.340 -5.412 1.00 0.00 C ATOM 1010 C LEU A 66 71.802 -2.623 -6.311 1.00 0.00 C ATOM 1011 O LEU A 66 72.994 -2.686 -6.088 1.00 0.00 O ATOM 1012 CB LEU A 66 70.189 -2.358 -4.411 1.00 0.00 C ATOM 1013 CG LEU A 66 68.940 -2.975 -3.783 1.00 0.00 C ATOM 1014 CD1 LEU A 66 68.557 -2.194 -2.526 1.00 0.00 C ATOM 1015 CD2 LEU A 66 67.787 -2.925 -4.789 1.00 0.00 C ATOM 0 H LEU A 66 71.207 -4.384 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 66 70.041 -3.781 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 66 70.917 -2.116 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 66 69.934 -1.424 -4.911 1.00 0.00 H new ATOM 0 HG LEU A 66 69.144 -4.011 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 66 67.666 -2.636 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 66 69.378 -2.232 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 66 68.354 -1.156 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 66 66.895 -3.365 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 66 67.584 -1.889 -5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 66 68.060 -3.486 -5.683 1.00 0.00 H new ATOM 1027 N PRO A 67 71.277 -1.956 -7.298 1.00 0.00 N ATOM 1028 CA PRO A 67 72.129 -1.202 -8.247 1.00 0.00 C ATOM 1029 C PRO A 67 72.653 0.070 -7.577 1.00 0.00 C ATOM 1030 O PRO A 67 72.445 0.292 -6.401 1.00 0.00 O ATOM 1031 CB PRO A 67 71.177 -0.869 -9.393 1.00 0.00 C ATOM 1032 CG PRO A 67 69.810 -0.888 -8.783 1.00 0.00 C ATOM 1033 CD PRO A 67 69.852 -1.842 -7.619 1.00 0.00 C ATOM 0 HA PRO A 67 73.006 -1.756 -8.583 1.00 0.00 H new ATOM 0 HB2 PRO A 67 71.403 0.107 -9.823 1.00 0.00 H new ATOM 0 HB3 PRO A 67 71.259 -1.599 -10.199 1.00 0.00 H new ATOM 0 HG2 PRO A 67 69.523 0.110 -8.452 1.00 0.00 H new ATOM 0 HG3 PRO A 67 69.067 -1.207 -9.514 1.00 0.00 H new ATOM 0 HD2 PRO A 67 69.282 -1.461 -6.771 1.00 0.00 H new ATOM 0 HD3 PRO A 67 69.424 -2.810 -7.882 1.00 0.00 H new ATOM 1041 N ASN A 68 73.330 0.910 -8.310 1.00 0.00 N ATOM 1042 CA ASN A 68 73.859 2.162 -7.698 1.00 0.00 C ATOM 1043 C ASN A 68 72.702 3.047 -7.232 1.00 0.00 C ATOM 1044 O ASN A 68 71.604 2.972 -7.746 1.00 0.00 O ATOM 1045 CB ASN A 68 74.654 2.849 -8.810 1.00 0.00 C ATOM 1046 CG ASN A 68 73.781 2.984 -10.058 1.00 0.00 C ATOM 1047 OD1 ASN A 68 72.576 2.841 -9.990 1.00 0.00 O ATOM 1048 ND2 ASN A 68 74.342 3.256 -11.204 1.00 0.00 N ATOM 0 H ASN A 68 73.539 0.785 -9.301 1.00 0.00 H new ATOM 0 HA ASN A 68 74.480 1.965 -6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 68 74.986 3.833 -8.478 1.00 0.00 H new ATOM 0 HB3 ASN A 68 75.549 2.271 -9.041 1.00 0.00 H new ATOM 0 HD21 ASN A 68 73.769 3.349 -12.043 1.00 0.00 H new ATOM 0 HD22 ASN A 68 75.353 3.376 -11.261 1.00 0.00 H new ATOM 1055 N ASP A 69 72.941 3.880 -6.255 1.00 0.00 N ATOM 1056 CA ASP A 69 71.855 4.764 -5.747 1.00 0.00 C ATOM 1057 C ASP A 69 70.553 3.972 -5.630 1.00 0.00 C ATOM 1058 O ASP A 69 69.482 4.467 -5.921 1.00 0.00 O ATOM 1059 CB ASP A 69 71.719 5.879 -6.783 1.00 0.00 C ATOM 1060 CG ASP A 69 72.789 6.944 -6.529 1.00 0.00 C ATOM 1061 OD1 ASP A 69 73.775 6.623 -5.887 1.00 0.00 O ATOM 1062 OD2 ASP A 69 72.602 8.062 -6.981 1.00 0.00 O ATOM 0 H ASP A 69 73.841 3.986 -5.787 1.00 0.00 H new ATOM 0 HA ASP A 69 72.077 5.165 -4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 69 71.828 5.471 -7.788 1.00 0.00 H new ATOM 0 HB3 ASP A 69 70.726 6.325 -6.725 1.00 0.00 H new ATOM 1067 N ALA A 70 70.642 2.744 -5.205 1.00 0.00 N ATOM 1068 CA ALA A 70 69.410 1.913 -5.065 1.00 0.00 C ATOM 1069 C ALA A 70 68.293 2.741 -4.423 1.00 0.00 C ATOM 1070 O ALA A 70 68.373 3.122 -3.273 1.00 0.00 O ATOM 1071 CB ALA A 70 69.813 0.749 -4.155 1.00 0.00 C ATOM 0 H ALA A 70 71.512 2.278 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 70 69.035 1.561 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 70 68.957 0.092 -4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 70 70.624 0.188 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 70 70.145 1.138 -3.193 1.00 0.00 H new ATOM 1077 N GLU A 71 67.255 3.027 -5.161 1.00 0.00 N ATOM 1078 CA GLU A 71 66.136 3.838 -4.597 1.00 0.00 C ATOM 1079 C GLU A 71 65.193 2.953 -3.775 1.00 0.00 C ATOM 1080 O GLU A 71 64.391 2.216 -4.314 1.00 0.00 O ATOM 1081 CB GLU A 71 65.409 4.408 -5.815 1.00 0.00 C ATOM 1082 CG GLU A 71 65.991 5.779 -6.163 1.00 0.00 C ATOM 1083 CD GLU A 71 65.182 6.872 -5.462 1.00 0.00 C ATOM 1084 OE1 GLU A 71 64.209 6.534 -4.808 1.00 0.00 O ATOM 1085 OE2 GLU A 71 65.549 8.029 -5.590 1.00 0.00 O ATOM 0 H GLU A 71 67.133 2.734 -6.130 1.00 0.00 H new ATOM 0 HA GLU A 71 66.493 4.621 -3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 71 65.513 3.731 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 71 64.343 4.496 -5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 71 67.035 5.831 -5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 71 65.969 5.932 -7.242 1.00 0.00 H new ATOM 1092 N LEU A 72 65.280 3.026 -2.476 1.00 0.00 N ATOM 1093 CA LEU A 72 64.386 2.193 -1.619 1.00 0.00 C ATOM 1094 C LEU A 72 63.440 3.091 -0.816 1.00 0.00 C ATOM 1095 O LEU A 72 63.720 4.249 -0.582 1.00 0.00 O ATOM 1096 CB LEU A 72 65.327 1.435 -0.683 1.00 0.00 C ATOM 1097 CG LEU A 72 65.724 0.104 -1.322 1.00 0.00 C ATOM 1098 CD1 LEU A 72 66.297 0.358 -2.716 1.00 0.00 C ATOM 1099 CD2 LEU A 72 66.782 -0.578 -0.453 1.00 0.00 C ATOM 0 H LEU A 72 65.931 3.626 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 72 63.764 1.517 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 72 66.216 2.033 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 72 64.839 1.258 0.275 1.00 0.00 H new ATOM 0 HG LEU A 72 64.847 -0.538 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 72 66.580 -0.591 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.545 0.848 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 72 67.175 0.999 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.068 -1.528 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.659 0.065 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.375 -0.758 0.542 1.00 0.00 H new ATOM 1111 N LEU A 73 62.321 2.567 -0.393 1.00 0.00 N ATOM 1112 CA LEU A 73 61.364 3.397 0.394 1.00 0.00 C ATOM 1113 C LEU A 73 60.884 2.633 1.631 1.00 0.00 C ATOM 1114 O LEU A 73 60.388 1.527 1.538 1.00 0.00 O ATOM 1115 CB LEU A 73 60.195 3.665 -0.554 1.00 0.00 C ATOM 1116 CG LEU A 73 59.133 4.492 0.174 1.00 0.00 C ATOM 1117 CD1 LEU A 73 59.129 5.919 -0.377 1.00 0.00 C ATOM 1118 CD2 LEU A 73 57.758 3.857 -0.044 1.00 0.00 C ATOM 0 H LEU A 73 62.029 1.604 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 73 61.822 4.320 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.544 4.198 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 73 59.767 2.723 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 73 59.359 4.517 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.372 6.507 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.109 6.371 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 73 58.903 5.897 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.000 4.444 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.533 3.833 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 73 57.760 2.840 0.349 1.00 0.00 H new ATOM 1130 N LEU A 74 61.026 3.220 2.786 1.00 0.00 N ATOM 1131 CA LEU A 74 60.577 2.541 4.035 1.00 0.00 C ATOM 1132 C LEU A 74 59.048 2.516 4.095 1.00 0.00 C ATOM 1133 O LEU A 74 58.394 3.510 3.852 1.00 0.00 O ATOM 1134 CB LEU A 74 61.142 3.397 5.167 1.00 0.00 C ATOM 1135 CG LEU A 74 61.299 2.542 6.424 1.00 0.00 C ATOM 1136 CD1 LEU A 74 62.331 1.445 6.164 1.00 0.00 C ATOM 1137 CD2 LEU A 74 61.772 3.424 7.583 1.00 0.00 C ATOM 0 H LEU A 74 61.435 4.145 2.920 1.00 0.00 H new ATOM 0 HA LEU A 74 60.916 1.507 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 74 62.106 3.814 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 74 60.478 4.238 5.367 1.00 0.00 H new ATOM 0 HG LEU A 74 60.342 2.088 6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 74 62.445 0.833 7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 74 61.996 0.819 5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.289 1.899 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 74 61.885 2.816 8.481 1.00 0.00 H new ATOM 0 HD22 LEU A 74 62.731 3.876 7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 74 61.038 4.209 7.766 1.00 0.00 H new ATOM 1149 N LEU A 75 58.471 1.391 4.418 1.00 0.00 N ATOM 1150 CA LEU A 75 56.987 1.316 4.491 1.00 0.00 C ATOM 1151 C LEU A 75 56.578 0.320 5.576 1.00 0.00 C ATOM 1152 O LEU A 75 57.361 -0.508 5.991 1.00 0.00 O ATOM 1153 CB LEU A 75 56.557 0.832 3.105 1.00 0.00 C ATOM 1154 CG LEU A 75 55.122 0.306 3.161 1.00 0.00 C ATOM 1155 CD1 LEU A 75 54.473 0.444 1.783 1.00 0.00 C ATOM 1156 CD2 LEU A 75 55.141 -1.167 3.570 1.00 0.00 C ATOM 0 H LEU A 75 58.962 0.524 4.634 1.00 0.00 H new ATOM 0 HA LEU A 75 56.521 2.268 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 75 56.627 1.649 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 75 57.229 0.046 2.760 1.00 0.00 H new ATOM 0 HG LEU A 75 54.550 0.881 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 75 53.450 0.069 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 75 54.463 1.494 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 75 55.042 -0.132 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 75 54.120 -1.546 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 75 55.712 -1.740 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 75 55.605 -1.266 4.551 1.00 0.00 H new ATOM 1168 N THR A 76 55.365 0.395 6.047 1.00 0.00 N ATOM 1169 CA THR A 76 54.925 -0.555 7.110 1.00 0.00 C ATOM 1170 C THR A 76 53.428 -0.836 6.972 1.00 0.00 C ATOM 1171 O THR A 76 52.744 -0.226 6.173 1.00 0.00 O ATOM 1172 CB THR A 76 55.220 0.152 8.438 1.00 0.00 C ATOM 1173 OG1 THR A 76 54.178 1.072 8.725 1.00 0.00 O ATOM 1174 CG2 THR A 76 56.554 0.900 8.348 1.00 0.00 C ATOM 0 H THR A 76 54.661 1.069 5.745 1.00 0.00 H new ATOM 0 HA THR A 76 55.440 -1.513 7.043 1.00 0.00 H new ATOM 0 HB THR A 76 55.281 -0.591 9.233 1.00 0.00 H new ATOM 0 HG1 THR A 76 54.365 1.523 9.575 1.00 0.00 H new ATOM 0 HG21 THR A 76 56.756 1.399 9.296 1.00 0.00 H new ATOM 0 HG22 THR A 76 57.354 0.192 8.133 1.00 0.00 H new ATOM 0 HG23 THR A 76 56.502 1.642 7.551 1.00 0.00 H new ATOM 1182 N ALA A 77 52.911 -1.754 7.740 1.00 0.00 N ATOM 1183 CA ALA A 77 51.457 -2.070 7.645 1.00 0.00 C ATOM 1184 C ALA A 77 50.634 -0.787 7.777 1.00 0.00 C ATOM 1185 O ALA A 77 49.516 -0.704 7.307 1.00 0.00 O ATOM 1186 CB ALA A 77 51.174 -3.016 8.813 1.00 0.00 C ATOM 0 H ALA A 77 53.431 -2.299 8.428 1.00 0.00 H new ATOM 0 HA ALA A 77 51.193 -2.522 6.689 1.00 0.00 H new ATOM 0 HB1 ALA A 77 50.120 -3.294 8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 77 51.786 -3.912 8.712 1.00 0.00 H new ATOM 0 HB3 ALA A 77 51.414 -2.517 9.752 1.00 0.00 H new ATOM 1192 N GLY A 78 51.180 0.216 8.406 1.00 0.00 N ATOM 1193 CA GLY A 78 50.431 1.493 8.558 1.00 0.00 C ATOM 1194 C GLY A 78 50.814 2.437 7.418 1.00 0.00 C ATOM 1195 O GLY A 78 50.576 3.628 7.478 1.00 0.00 O ATOM 0 H GLY A 78 52.112 0.206 8.821 1.00 0.00 H new ATOM 0 HA2 GLY A 78 49.358 1.303 8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 78 50.661 1.952 9.520 1.00 0.00 H new ATOM 1199 N GLU A 79 51.408 1.914 6.379 1.00 0.00 N ATOM 1200 CA GLU A 79 51.809 2.780 5.233 1.00 0.00 C ATOM 1201 C GLU A 79 51.790 1.976 3.929 1.00 0.00 C ATOM 1202 O GLU A 79 51.901 0.767 3.934 1.00 0.00 O ATOM 1203 CB GLU A 79 53.232 3.238 5.562 1.00 0.00 C ATOM 1204 CG GLU A 79 53.222 4.727 5.916 1.00 0.00 C ATOM 1205 CD GLU A 79 54.495 5.078 6.691 1.00 0.00 C ATOM 1206 OE1 GLU A 79 55.544 4.575 6.325 1.00 0.00 O ATOM 1207 OE2 GLU A 79 54.398 5.844 7.635 1.00 0.00 O ATOM 0 H GLU A 79 51.633 0.925 6.274 1.00 0.00 H new ATOM 0 HA GLU A 79 51.131 3.623 5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.628 2.658 6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 79 53.888 3.061 4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 79 53.160 5.327 5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 79 52.342 4.963 6.515 1.00 0.00 H new ATOM 1214 N THR A 80 51.652 2.638 2.813 1.00 0.00 N ATOM 1215 CA THR A 80 51.626 1.907 1.511 1.00 0.00 C ATOM 1216 C THR A 80 52.230 2.772 0.401 1.00 0.00 C ATOM 1217 O THR A 80 52.218 3.985 0.470 1.00 0.00 O ATOM 1218 CB THR A 80 50.148 1.630 1.231 1.00 0.00 C ATOM 1219 OG1 THR A 80 49.355 2.133 2.299 1.00 0.00 O ATOM 1220 CG2 THR A 80 49.929 0.123 1.094 1.00 0.00 C ATOM 0 H THR A 80 51.556 3.651 2.745 1.00 0.00 H new ATOM 0 HA THR A 80 52.210 0.987 1.549 1.00 0.00 H new ATOM 0 HB THR A 80 49.857 2.125 0.304 1.00 0.00 H new ATOM 0 HG1 THR A 80 48.409 1.955 2.116 1.00 0.00 H new ATOM 0 HG21 THR A 80 48.876 -0.075 0.894 1.00 0.00 H new ATOM 0 HG22 THR A 80 50.532 -0.259 0.271 1.00 0.00 H new ATOM 0 HG23 THR A 80 50.222 -0.373 2.019 1.00 0.00 H new ATOM 1228 N TRP A 81 52.757 2.155 -0.622 1.00 0.00 N ATOM 1229 CA TRP A 81 53.363 2.941 -1.736 1.00 0.00 C ATOM 1230 C TRP A 81 52.836 2.442 -3.085 1.00 0.00 C ATOM 1231 O TRP A 81 53.054 1.310 -3.467 1.00 0.00 O ATOM 1232 CB TRP A 81 54.868 2.690 -1.629 1.00 0.00 C ATOM 1233 CG TRP A 81 55.544 3.177 -2.871 1.00 0.00 C ATOM 1234 CD1 TRP A 81 56.545 2.533 -3.515 1.00 0.00 C ATOM 1235 CD2 TRP A 81 55.288 4.395 -3.629 1.00 0.00 C ATOM 1236 NE1 TRP A 81 56.919 3.279 -4.620 1.00 0.00 N ATOM 1237 CE2 TRP A 81 56.173 4.437 -4.731 1.00 0.00 C ATOM 1238 CE3 TRP A 81 54.382 5.459 -3.466 1.00 0.00 C ATOM 1239 CZ2 TRP A 81 56.160 5.495 -5.641 1.00 0.00 C ATOM 1240 CZ3 TRP A 81 54.365 6.526 -4.379 1.00 0.00 C ATOM 1241 CH2 TRP A 81 55.254 6.544 -5.463 1.00 0.00 C ATOM 0 H TRP A 81 52.794 1.142 -0.735 1.00 0.00 H new ATOM 0 HA TRP A 81 53.119 4.001 -1.669 1.00 0.00 H new ATOM 0 HB2 TRP A 81 55.272 3.204 -0.757 1.00 0.00 H new ATOM 0 HB3 TRP A 81 55.061 1.626 -1.490 1.00 0.00 H new ATOM 0 HD1 TRP A 81 56.981 1.591 -3.216 1.00 0.00 H new ATOM 0 HE1 TRP A 81 57.655 3.007 -5.272 1.00 0.00 H new ATOM 0 HE3 TRP A 81 53.695 5.455 -2.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 56.845 5.503 -6.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 53.664 7.336 -4.245 1.00 0.00 H new ATOM 0 HH2 TRP A 81 55.239 7.368 -6.160 1.00 0.00 H new ATOM 1252 N HIS A 82 52.144 3.278 -3.811 1.00 0.00 N ATOM 1253 CA HIS A 82 51.610 2.845 -5.133 1.00 0.00 C ATOM 1254 C HIS A 82 52.765 2.513 -6.083 1.00 0.00 C ATOM 1255 O HIS A 82 53.024 1.364 -6.384 1.00 0.00 O ATOM 1256 CB HIS A 82 50.813 4.043 -5.653 1.00 0.00 C ATOM 1257 CG HIS A 82 49.765 4.425 -4.645 1.00 0.00 C ATOM 1258 ND1 HIS A 82 49.732 5.677 -4.052 1.00 0.00 N ATOM 1259 CD2 HIS A 82 48.704 3.732 -4.117 1.00 0.00 C ATOM 1260 CE1 HIS A 82 48.684 5.700 -3.211 1.00 0.00 C ATOM 1261 NE2 HIS A 82 48.021 4.540 -3.212 1.00 0.00 N ATOM 0 H HIS A 82 51.926 4.239 -3.547 1.00 0.00 H new ATOM 0 HA HIS A 82 50.992 1.950 -5.057 1.00 0.00 H new ATOM 0 HB2 HIS A 82 51.480 4.885 -5.836 1.00 0.00 H new ATOM 0 HB3 HIS A 82 50.344 3.795 -6.605 1.00 0.00 H new ATOM 0 HD2 HIS A 82 48.439 2.715 -4.366 1.00 0.00 H new ATOM 0 HE1 HIS A 82 48.411 6.553 -2.607 1.00 0.00 H new ATOM 0 HE2 HIS A 82 47.193 4.299 -2.667 1.00 0.00 H new ATOM 1269 N GLY A 83 53.464 3.510 -6.556 1.00 0.00 N ATOM 1270 CA GLY A 83 54.601 3.250 -7.484 1.00 0.00 C ATOM 1271 C GLY A 83 54.917 4.519 -8.278 1.00 0.00 C ATOM 1272 O GLY A 83 54.151 5.462 -8.291 1.00 0.00 O ATOM 0 H GLY A 83 53.296 4.493 -6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.479 2.934 -6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 83 54.349 2.437 -8.164 1.00 0.00 H new ATOM 1276 N TYR A 84 56.041 4.551 -8.944 1.00 0.00 N ATOM 1277 CA TYR A 84 56.403 5.761 -9.738 1.00 0.00 C ATOM 1278 C TYR A 84 55.833 5.658 -11.155 1.00 0.00 C ATOM 1279 O TYR A 84 56.292 4.876 -11.964 1.00 0.00 O ATOM 1280 CB TYR A 84 57.932 5.772 -9.776 1.00 0.00 C ATOM 1281 CG TYR A 84 58.410 7.018 -10.487 1.00 0.00 C ATOM 1282 CD1 TYR A 84 58.264 7.132 -11.875 1.00 0.00 C ATOM 1283 CD2 TYR A 84 58.998 8.058 -9.758 1.00 0.00 C ATOM 1284 CE1 TYR A 84 58.706 8.288 -12.533 1.00 0.00 C ATOM 1285 CE2 TYR A 84 59.439 9.212 -10.416 1.00 0.00 C ATOM 1286 CZ TYR A 84 59.293 9.327 -11.803 1.00 0.00 C ATOM 1287 OH TYR A 84 59.728 10.466 -12.451 1.00 0.00 O ATOM 0 H TYR A 84 56.723 3.793 -8.972 1.00 0.00 H new ATOM 0 HA TYR A 84 56.000 6.674 -9.300 1.00 0.00 H new ATOM 0 HB2 TYR A 84 58.332 5.743 -8.762 1.00 0.00 H new ATOM 0 HB3 TYR A 84 58.300 4.884 -10.289 1.00 0.00 H new ATOM 0 HD1 TYR A 84 57.811 6.330 -12.438 1.00 0.00 H new ATOM 0 HD2 TYR A 84 59.111 7.970 -8.688 1.00 0.00 H new ATOM 0 HE1 TYR A 84 58.593 8.377 -13.603 1.00 0.00 H new ATOM 0 HE2 TYR A 84 59.892 10.014 -9.853 1.00 0.00 H new ATOM 0 HH TYR A 84 60.110 11.089 -11.797 1.00 0.00 H new ATOM 1297 N VAL A 85 54.837 6.442 -11.461 1.00 0.00 N ATOM 1298 CA VAL A 85 54.238 6.392 -12.824 1.00 0.00 C ATOM 1299 C VAL A 85 55.098 7.189 -13.808 1.00 0.00 C ATOM 1300 O VAL A 85 55.674 8.201 -13.463 1.00 0.00 O ATOM 1301 CB VAL A 85 52.861 7.036 -12.670 1.00 0.00 C ATOM 1302 CG1 VAL A 85 52.014 6.206 -11.704 1.00 0.00 C ATOM 1303 CG2 VAL A 85 53.021 8.453 -12.115 1.00 0.00 C ATOM 0 H VAL A 85 54.411 7.116 -10.825 1.00 0.00 H new ATOM 0 HA VAL A 85 54.173 5.376 -13.212 1.00 0.00 H new ATOM 0 HB VAL A 85 52.369 7.077 -13.642 1.00 0.00 H new ATOM 0 HG11 VAL A 85 51.032 6.666 -11.594 1.00 0.00 H new ATOM 0 HG12 VAL A 85 51.900 5.195 -12.096 1.00 0.00 H new ATOM 0 HG13 VAL A 85 52.506 6.165 -10.732 1.00 0.00 H new ATOM 0 HG21 VAL A 85 52.039 8.914 -12.005 1.00 0.00 H new ATOM 0 HG22 VAL A 85 53.513 8.410 -11.143 1.00 0.00 H new ATOM 0 HG23 VAL A 85 53.625 9.046 -12.801 1.00 0.00 H new ATOM 1313 N SER A 86 55.188 6.742 -15.031 1.00 0.00 N ATOM 1314 CA SER A 86 56.010 7.476 -16.034 1.00 0.00 C ATOM 1315 C SER A 86 55.107 8.298 -16.957 1.00 0.00 C ATOM 1316 O SER A 86 55.077 8.093 -18.155 1.00 0.00 O ATOM 1317 CB SER A 86 56.738 6.389 -16.823 1.00 0.00 C ATOM 1318 OG SER A 86 58.128 6.685 -16.856 1.00 0.00 O ATOM 0 H SER A 86 54.728 5.901 -15.379 1.00 0.00 H new ATOM 0 HA SER A 86 56.705 8.174 -15.567 1.00 0.00 H new ATOM 0 HB2 SER A 86 56.572 5.416 -16.361 1.00 0.00 H new ATOM 0 HB3 SER A 86 56.342 6.332 -17.837 1.00 0.00 H new ATOM 0 HG SER A 86 58.599 5.989 -17.360 1.00 0.00 H new ATOM 1324 N ASP A 87 54.369 9.225 -16.411 1.00 0.00 N ATOM 1325 CA ASP A 87 53.469 10.057 -17.259 1.00 0.00 C ATOM 1326 C ASP A 87 54.181 11.348 -17.676 1.00 0.00 C ATOM 1327 O ASP A 87 53.794 11.915 -18.683 1.00 0.00 O ATOM 1328 CB ASP A 87 52.267 10.371 -16.367 1.00 0.00 C ATOM 1329 CG ASP A 87 50.979 10.252 -17.184 1.00 0.00 C ATOM 1330 OD1 ASP A 87 50.927 9.397 -18.053 1.00 0.00 O ATOM 1331 OD2 ASP A 87 50.065 11.018 -16.928 1.00 0.00 O ATOM 1332 OXT ASP A 87 55.102 11.744 -16.982 1.00 0.00 O ATOM 0 H ASP A 87 54.350 9.442 -15.415 1.00 0.00 H new ATOM 0 HA ASP A 87 53.174 9.547 -18.176 1.00 0.00 H new ATOM 0 HB2 ASP A 87 52.239 9.683 -15.522 1.00 0.00 H new ATOM 0 HB3 ASP A 87 52.358 11.377 -15.957 1.00 0.00 H new TER 1337 ASP A 87