USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 603 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.00999 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 70:sc= 0.134 USER MOD Single : A 6 LYS NZ :NH3+ -149:sc= -0.0523 (180deg=-0.481) USER MOD Single : A 7 THR OG1 : rot 150:sc= -0.353 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0496 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0991 X(o=-0.099,f=-0.013) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -144:sc= -0.154 (180deg=-0.806) USER MOD Single : A 48 MET CE :methyl -179:sc= -4.08! (180deg=-4.15!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -129:sc= -0.0856 (180deg=-1.75!) USER MOD Single : A 62 MET CE :methyl -153:sc= -3.07! (180deg=-5.4!) USER MOD Single : A 66 THR OG1 : rot 109:sc= 1.12 USER MOD Single : A 69 SER OG : rot 180:sc= 0.102 USER MOD Single : A 70 MET CE :methyl -171:sc= -0.618 (180deg=-0.811) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.149 27.422 0.718 1.00 0.00 N ATOM 2 CA MET A 1 -14.709 27.042 0.686 1.00 0.00 C ATOM 3 C MET A 1 -14.506 25.737 1.460 1.00 0.00 C ATOM 4 O MET A 1 -15.345 25.330 2.238 1.00 0.00 O ATOM 5 CB MET A 1 -13.874 28.149 1.332 1.00 0.00 C ATOM 6 CG MET A 1 -12.649 28.440 0.463 1.00 0.00 C ATOM 7 SD MET A 1 -12.165 30.172 0.661 1.00 0.00 S ATOM 8 CE MET A 1 -10.400 29.954 0.330 1.00 0.00 C ATOM 0 H1 MET A 1 -16.479 27.615 -0.249 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.705 26.642 1.124 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.270 28.274 1.302 1.00 0.00 H new ATOM 0 HA MET A 1 -14.395 26.904 -0.349 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.474 29.052 1.446 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.560 27.846 2.331 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.825 27.786 0.748 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.874 28.232 -0.583 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.895 30.917 0.401 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.975 29.267 1.062 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.265 29.546 -0.672 1.00 0.00 H new ATOM 20 N THR A 2 -13.398 25.080 1.253 1.00 0.00 N ATOM 21 CA THR A 2 -13.139 23.804 1.977 1.00 0.00 C ATOM 22 C THR A 2 -11.685 23.379 1.759 1.00 0.00 C ATOM 23 O THR A 2 -10.902 23.311 2.686 1.00 0.00 O ATOM 24 CB THR A 2 -14.074 22.708 1.454 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.442 21.445 1.594 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.395 22.957 -0.022 1.00 0.00 C ATOM 0 H THR A 2 -12.660 25.372 0.613 1.00 0.00 H new ATOM 0 HA THR A 2 -13.321 23.954 3.041 1.00 0.00 H new ATOM 0 HB THR A 2 -15.000 22.721 2.028 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.039 20.742 1.262 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.060 22.174 -0.387 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.882 23.926 -0.130 1.00 0.00 H new ATOM 0 HG23 THR A 2 -13.472 22.948 -0.602 1.00 0.00 H new ATOM 34 N PHE A 3 -11.315 23.090 0.541 1.00 0.00 N ATOM 35 CA PHE A 3 -9.913 22.668 0.268 1.00 0.00 C ATOM 36 C PHE A 3 -9.499 21.593 1.276 1.00 0.00 C ATOM 37 O PHE A 3 -8.856 21.875 2.269 1.00 0.00 O ATOM 38 CB PHE A 3 -8.983 23.875 0.399 1.00 0.00 C ATOM 39 CG PHE A 3 -8.601 24.370 -0.976 1.00 0.00 C ATOM 40 CD1 PHE A 3 -9.591 24.826 -1.855 1.00 0.00 C ATOM 41 CD2 PHE A 3 -7.258 24.372 -1.372 1.00 0.00 C ATOM 42 CE1 PHE A 3 -9.237 25.285 -3.131 1.00 0.00 C ATOM 43 CE2 PHE A 3 -6.905 24.830 -2.647 1.00 0.00 C ATOM 44 CZ PHE A 3 -7.894 25.287 -3.527 1.00 0.00 C ATOM 0 H PHE A 3 -11.924 23.128 -0.277 1.00 0.00 H new ATOM 0 HA PHE A 3 -9.845 22.265 -0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -9.477 24.669 0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.089 23.600 0.959 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -10.627 24.824 -1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.494 24.020 -0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.000 25.637 -3.809 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -5.869 24.831 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 3 -7.621 25.641 -4.510 1.00 0.00 H new ATOM 54 N ILE A 4 -9.864 20.364 1.032 1.00 0.00 N ATOM 55 CA ILE A 4 -9.493 19.273 1.979 1.00 0.00 C ATOM 56 C ILE A 4 -8.987 18.060 1.192 1.00 0.00 C ATOM 57 O ILE A 4 -9.323 17.871 0.040 1.00 0.00 O ATOM 58 CB ILE A 4 -10.723 18.869 2.795 1.00 0.00 C ATOM 59 CG1 ILE A 4 -10.309 17.887 3.894 1.00 0.00 C ATOM 60 CG2 ILE A 4 -11.749 18.200 1.879 1.00 0.00 C ATOM 61 CD1 ILE A 4 -9.617 18.650 5.026 1.00 0.00 C ATOM 0 H ILE A 4 -10.403 20.068 0.218 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.708 19.626 2.648 1.00 0.00 H new ATOM 0 HB ILE A 4 -11.163 19.758 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -11.185 17.363 4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.637 17.131 3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -12.624 17.913 2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -12.047 18.897 1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -11.308 17.312 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.322 17.951 5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.732 19.154 4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -10.303 19.389 5.439 1.00 0.00 H new ATOM 73 N THR A 5 -8.180 17.238 1.806 1.00 0.00 N ATOM 74 CA THR A 5 -7.654 16.039 1.091 1.00 0.00 C ATOM 75 C THR A 5 -8.669 14.898 1.198 1.00 0.00 C ATOM 76 O THR A 5 -9.289 14.700 2.225 1.00 0.00 O ATOM 77 CB THR A 5 -6.330 15.605 1.726 1.00 0.00 C ATOM 78 OG1 THR A 5 -5.816 14.483 1.019 1.00 0.00 O ATOM 79 CG2 THR A 5 -6.562 15.225 3.189 1.00 0.00 C ATOM 0 H THR A 5 -7.862 17.344 2.770 1.00 0.00 H new ATOM 0 HA THR A 5 -7.490 16.284 0.042 1.00 0.00 H new ATOM 0 HB THR A 5 -5.616 16.427 1.677 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.521 14.765 0.128 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.618 14.916 3.639 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.958 16.085 3.730 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.275 14.403 3.243 1.00 0.00 H new ATOM 87 N LYS A 6 -8.845 14.146 0.146 1.00 0.00 N ATOM 88 CA LYS A 6 -9.820 13.020 0.189 1.00 0.00 C ATOM 89 C LYS A 6 -9.213 11.791 -0.491 1.00 0.00 C ATOM 90 O LYS A 6 -9.350 11.600 -1.683 1.00 0.00 O ATOM 91 CB LYS A 6 -11.101 13.428 -0.542 1.00 0.00 C ATOM 92 CG LYS A 6 -12.318 13.013 0.286 1.00 0.00 C ATOM 93 CD LYS A 6 -12.726 11.586 -0.085 1.00 0.00 C ATOM 94 CE LYS A 6 -14.026 11.619 -0.892 1.00 0.00 C ATOM 95 NZ LYS A 6 -15.140 12.085 -0.020 1.00 0.00 N ATOM 0 H LYS A 6 -8.356 14.263 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.053 12.781 1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.111 14.505 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.138 12.955 -1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.085 13.071 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.146 13.698 0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.936 11.111 -0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.861 10.989 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.918 12.284 -1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.248 10.627 -1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.030 11.642 -0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.943 11.819 0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.226 13.119 -0.089 1.00 0.00 H new ATOM 109 N THR A 7 -8.544 10.955 0.255 1.00 0.00 N ATOM 110 CA THR A 7 -7.931 9.740 -0.353 1.00 0.00 C ATOM 111 C THR A 7 -8.427 8.490 0.381 1.00 0.00 C ATOM 112 O THR A 7 -8.825 8.563 1.526 1.00 0.00 O ATOM 113 CB THR A 7 -6.407 9.825 -0.237 1.00 0.00 C ATOM 114 OG1 THR A 7 -6.060 10.436 0.997 1.00 0.00 O ATOM 115 CG2 THR A 7 -5.849 10.654 -1.394 1.00 0.00 C ATOM 0 H THR A 7 -8.395 11.061 1.259 1.00 0.00 H new ATOM 0 HA THR A 7 -8.215 9.680 -1.404 1.00 0.00 H new ATOM 0 HB THR A 7 -5.984 8.821 -0.277 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.198 10.086 1.304 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.764 10.713 -1.309 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.114 10.182 -2.340 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.271 11.658 -1.359 1.00 0.00 H new ATOM 123 N PRO A 8 -8.384 7.377 -0.308 1.00 0.00 N ATOM 124 CA PRO A 8 -8.819 6.080 0.244 1.00 0.00 C ATOM 125 C PRO A 8 -7.740 5.509 1.172 1.00 0.00 C ATOM 126 O PRO A 8 -6.673 6.075 1.301 1.00 0.00 O ATOM 127 CB PRO A 8 -8.994 5.204 -1.001 1.00 0.00 C ATOM 128 CG PRO A 8 -8.132 5.844 -2.114 1.00 0.00 C ATOM 129 CD PRO A 8 -7.896 7.309 -1.702 1.00 0.00 C ATOM 0 HA PRO A 8 -9.728 6.147 0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.675 4.181 -0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.041 5.159 -1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.185 5.315 -2.223 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.640 5.790 -3.077 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.841 7.576 -1.768 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.440 7.997 -2.349 1.00 0.00 H new ATOM 137 N PRO A 9 -8.054 4.400 1.794 1.00 0.00 N ATOM 138 CA PRO A 9 -7.128 3.724 2.719 1.00 0.00 C ATOM 139 C PRO A 9 -6.067 2.949 1.935 1.00 0.00 C ATOM 140 O PRO A 9 -6.349 2.348 0.918 1.00 0.00 O ATOM 141 CB PRO A 9 -8.035 2.774 3.505 1.00 0.00 C ATOM 142 CG PRO A 9 -9.289 2.543 2.628 1.00 0.00 C ATOM 143 CD PRO A 9 -9.354 3.716 1.632 1.00 0.00 C ATOM 0 HA PRO A 9 -6.584 4.413 3.365 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.526 1.832 3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.308 3.206 4.468 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.223 1.591 2.101 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.189 2.506 3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.494 3.364 0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.186 4.383 1.856 1.00 0.00 H new ATOM 151 N ALA A 10 -4.847 2.956 2.399 1.00 0.00 N ATOM 152 CA ALA A 10 -3.772 2.219 1.677 1.00 0.00 C ATOM 153 C ALA A 10 -4.042 0.714 1.754 1.00 0.00 C ATOM 154 O ALA A 10 -3.373 -0.079 1.120 1.00 0.00 O ATOM 155 CB ALA A 10 -2.421 2.529 2.323 1.00 0.00 C ATOM 0 H ALA A 10 -4.549 3.440 3.246 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.756 2.531 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.634 1.990 1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.228 3.600 2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.437 2.217 3.367 1.00 0.00 H new ATOM 161 N ALA A 11 -5.013 0.312 2.525 1.00 0.00 N ATOM 162 CA ALA A 11 -5.321 -1.141 2.642 1.00 0.00 C ATOM 163 C ALA A 11 -6.338 -1.539 1.569 1.00 0.00 C ATOM 164 O ALA A 11 -6.962 -2.578 1.650 1.00 0.00 O ATOM 165 CB ALA A 11 -5.905 -1.426 4.027 1.00 0.00 C ATOM 0 H ALA A 11 -5.608 0.927 3.080 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.406 -1.718 2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.131 -2.489 4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.181 -1.145 4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.819 -0.848 4.162 1.00 0.00 H new ATOM 171 N VAL A 12 -6.514 -0.721 0.567 1.00 0.00 N ATOM 172 CA VAL A 12 -7.492 -1.055 -0.501 1.00 0.00 C ATOM 173 C VAL A 12 -6.794 -1.047 -1.865 1.00 0.00 C ATOM 174 O VAL A 12 -7.094 -1.846 -2.730 1.00 0.00 O ATOM 175 CB VAL A 12 -8.619 -0.020 -0.488 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.139 1.287 -1.127 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.807 -0.561 -1.277 1.00 0.00 C ATOM 0 H VAL A 12 -6.022 0.164 0.444 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.905 -2.048 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.915 0.175 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.948 2.017 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.289 1.676 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.838 1.099 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.613 0.173 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.502 -0.756 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.156 -1.487 -0.820 1.00 0.00 H new ATOM 187 N LEU A 13 -5.867 -0.150 -2.067 1.00 0.00 N ATOM 188 CA LEU A 13 -5.157 -0.092 -3.377 1.00 0.00 C ATOM 189 C LEU A 13 -3.913 -0.984 -3.333 1.00 0.00 C ATOM 190 O LEU A 13 -3.536 -1.586 -4.319 1.00 0.00 O ATOM 191 CB LEU A 13 -4.734 1.350 -3.664 1.00 0.00 C ATOM 192 CG LEU A 13 -5.974 2.242 -3.751 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.558 3.707 -3.617 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.661 2.030 -5.104 1.00 0.00 C ATOM 0 H LEU A 13 -5.571 0.545 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.826 -0.443 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.071 1.708 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.174 1.396 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.664 1.984 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.441 4.343 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.068 3.859 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.868 3.964 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.545 2.665 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.971 2.288 -5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.957 0.986 -5.202 1.00 0.00 H new ATOM 206 N LEU A 14 -3.270 -1.071 -2.202 1.00 0.00 N ATOM 207 CA LEU A 14 -2.047 -1.920 -2.102 1.00 0.00 C ATOM 208 C LEU A 14 -2.401 -3.370 -2.439 1.00 0.00 C ATOM 209 O LEU A 14 -1.811 -3.974 -3.313 1.00 0.00 O ATOM 210 CB LEU A 14 -1.489 -1.840 -0.680 1.00 0.00 C ATOM 211 CG LEU A 14 -1.120 -0.390 -0.363 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.556 -0.300 1.055 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.065 0.094 -1.359 1.00 0.00 C ATOM 0 H LEU A 14 -3.537 -0.592 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.295 -1.562 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.228 -2.204 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.612 -2.480 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.011 0.234 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.294 0.734 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.305 -0.646 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.334 -0.924 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.200 1.127 -1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.823 -0.533 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.465 0.033 -2.371 1.00 0.00 H new ATOM 225 N LYS A 15 -3.359 -3.935 -1.757 1.00 0.00 N ATOM 226 CA LYS A 15 -3.749 -5.345 -2.045 1.00 0.00 C ATOM 227 C LYS A 15 -4.181 -5.464 -3.510 1.00 0.00 C ATOM 228 O LYS A 15 -4.280 -6.546 -4.052 1.00 0.00 O ATOM 229 CB LYS A 15 -4.915 -5.749 -1.139 1.00 0.00 C ATOM 230 CG LYS A 15 -4.376 -6.234 0.208 1.00 0.00 C ATOM 231 CD LYS A 15 -5.035 -7.568 0.572 1.00 0.00 C ATOM 232 CE LYS A 15 -5.665 -7.465 1.961 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.046 -8.025 1.925 1.00 0.00 N ATOM 0 H LYS A 15 -3.889 -3.482 -1.013 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.899 -6.002 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.584 -4.901 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.500 -6.537 -1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.294 -6.353 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.579 -5.493 0.981 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.796 -7.823 -0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.295 -8.368 0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.060 -8.008 2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.692 -6.424 2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.474 -7.955 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.621 -7.489 1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.008 -9.023 1.636 1.00 0.00 H new ATOM 247 N LYS A 16 -4.446 -4.358 -4.151 1.00 0.00 N ATOM 248 CA LYS A 16 -4.881 -4.403 -5.577 1.00 0.00 C ATOM 249 C LYS A 16 -3.685 -4.727 -6.478 1.00 0.00 C ATOM 250 O LYS A 16 -3.823 -5.381 -7.492 1.00 0.00 O ATOM 251 CB LYS A 16 -5.460 -3.042 -5.970 1.00 0.00 C ATOM 252 CG LYS A 16 -6.773 -3.243 -6.730 1.00 0.00 C ATOM 253 CD LYS A 16 -6.471 -3.721 -8.152 1.00 0.00 C ATOM 254 CE LYS A 16 -5.818 -2.587 -8.943 1.00 0.00 C ATOM 255 NZ LYS A 16 -6.272 -2.646 -10.362 1.00 0.00 N ATOM 0 H LYS A 16 -4.380 -3.423 -3.748 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.639 -5.177 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.632 -2.438 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.748 -2.498 -6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.396 -3.973 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.335 -2.309 -6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.809 -4.587 -8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.391 -4.039 -8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.082 -1.624 -8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.732 -2.673 -8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.828 -1.875 -10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.999 -3.560 -10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.306 -2.544 -10.400 1.00 0.00 H new ATOM 269 N ALA A 17 -2.515 -4.272 -6.122 1.00 0.00 N ATOM 270 CA ALA A 17 -1.319 -4.552 -6.967 1.00 0.00 C ATOM 271 C ALA A 17 -0.923 -6.024 -6.828 1.00 0.00 C ATOM 272 O ALA A 17 -0.505 -6.656 -7.779 1.00 0.00 O ATOM 273 CB ALA A 17 -0.157 -3.668 -6.516 1.00 0.00 C ATOM 0 H ALA A 17 -2.335 -3.719 -5.284 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.556 -4.338 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.717 -3.873 -7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.436 -2.619 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.078 -3.880 -5.473 1.00 0.00 H new ATOM 279 N ALA A 18 -1.045 -6.576 -5.652 1.00 0.00 N ATOM 280 CA ALA A 18 -0.669 -8.004 -5.458 1.00 0.00 C ATOM 281 C ALA A 18 -1.712 -8.906 -6.119 1.00 0.00 C ATOM 282 O ALA A 18 -1.547 -10.107 -6.199 1.00 0.00 O ATOM 283 CB ALA A 18 -0.604 -8.315 -3.962 1.00 0.00 C ATOM 0 H ALA A 18 -1.389 -6.100 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 18 0.305 -8.185 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.329 -9.360 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.142 -7.676 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.578 -8.131 -3.510 1.00 0.00 H new ATOM 289 N GLY A 19 -2.788 -8.340 -6.595 1.00 0.00 N ATOM 290 CA GLY A 19 -3.838 -9.171 -7.248 1.00 0.00 C ATOM 291 C GLY A 19 -4.518 -10.050 -6.197 1.00 0.00 C ATOM 292 O GLY A 19 -4.888 -11.177 -6.462 1.00 0.00 O ATOM 0 H GLY A 19 -2.985 -7.340 -6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.574 -8.530 -7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.394 -9.793 -8.026 1.00 0.00 H new ATOM 296 N ILE A 20 -4.684 -9.544 -5.007 1.00 0.00 N ATOM 297 CA ILE A 20 -5.339 -10.350 -3.939 1.00 0.00 C ATOM 298 C ILE A 20 -6.843 -10.071 -3.940 1.00 0.00 C ATOM 299 O ILE A 20 -7.274 -8.939 -3.846 1.00 0.00 O ATOM 300 CB ILE A 20 -4.749 -9.966 -2.580 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.227 -10.118 -2.629 1.00 0.00 C ATOM 302 CG2 ILE A 20 -5.318 -10.884 -1.498 1.00 0.00 C ATOM 303 CD1 ILE A 20 -2.573 -8.960 -1.873 1.00 0.00 C ATOM 0 H ILE A 20 -4.394 -8.607 -4.728 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.167 -11.410 -4.124 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.007 -8.932 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.932 -11.069 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.885 -10.129 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.897 -10.610 -0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.402 -10.779 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.060 -11.918 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.489 -9.069 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.858 -8.016 -2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.905 -8.970 -0.835 1.00 0.00 H new ATOM 315 N GLU A 21 -7.646 -11.093 -4.048 1.00 0.00 N ATOM 316 CA GLU A 21 -9.122 -10.883 -4.056 1.00 0.00 C ATOM 317 C GLU A 21 -9.819 -12.174 -4.491 1.00 0.00 C ATOM 318 O GLU A 21 -9.292 -12.944 -5.268 1.00 0.00 O ATOM 319 CB GLU A 21 -9.469 -9.760 -5.035 1.00 0.00 C ATOM 320 CG GLU A 21 -10.015 -8.559 -4.259 1.00 0.00 C ATOM 321 CD GLU A 21 -9.479 -7.265 -4.876 1.00 0.00 C ATOM 322 OE1 GLU A 21 -8.408 -6.841 -4.474 1.00 0.00 O ATOM 323 OE2 GLU A 21 -10.148 -6.723 -5.739 1.00 0.00 O ATOM 0 H GLU A 21 -7.345 -12.064 -4.131 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.457 -10.610 -3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.584 -9.469 -5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.208 -10.107 -5.757 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.105 -8.562 -4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.720 -8.625 -3.212 1.00 0.00 H new ATOM 330 N SER A 22 -11.001 -12.417 -3.993 1.00 0.00 N ATOM 331 CA SER A 22 -11.729 -13.658 -4.378 1.00 0.00 C ATOM 332 C SER A 22 -10.815 -14.868 -4.171 1.00 0.00 C ATOM 333 O SER A 22 -10.472 -15.566 -5.104 1.00 0.00 O ATOM 334 CB SER A 22 -12.138 -13.574 -5.850 1.00 0.00 C ATOM 335 OG SER A 22 -12.224 -12.209 -6.237 1.00 0.00 O ATOM 0 H SER A 22 -11.493 -11.810 -3.337 1.00 0.00 H new ATOM 0 HA SER A 22 -12.620 -13.764 -3.759 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.410 -14.095 -6.472 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.098 -14.068 -6.001 1.00 0.00 H new ATOM 0 HG SER A 22 -12.484 -12.152 -7.180 1.00 0.00 H new ATOM 341 N GLY A 23 -10.417 -15.122 -2.954 1.00 0.00 N ATOM 342 CA GLY A 23 -9.524 -16.285 -2.691 1.00 0.00 C ATOM 343 C GLY A 23 -9.980 -17.010 -1.423 1.00 0.00 C ATOM 344 O GLY A 23 -11.158 -17.100 -1.137 1.00 0.00 O ATOM 0 H GLY A 23 -10.672 -14.575 -2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.543 -16.969 -3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.494 -15.946 -2.577 1.00 0.00 H new ATOM 348 N SER A 24 -9.056 -17.527 -0.660 1.00 0.00 N ATOM 349 CA SER A 24 -9.435 -18.245 0.590 1.00 0.00 C ATOM 350 C SER A 24 -9.833 -17.228 1.660 1.00 0.00 C ATOM 351 O SER A 24 -9.830 -16.035 1.429 1.00 0.00 O ATOM 352 CB SER A 24 -8.246 -19.068 1.085 1.00 0.00 C ATOM 353 OG SER A 24 -8.342 -20.390 0.572 1.00 0.00 O ATOM 0 H SER A 24 -8.054 -17.483 -0.848 1.00 0.00 H new ATOM 0 HA SER A 24 -10.276 -18.908 0.388 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.312 -18.608 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.232 -19.089 2.175 1.00 0.00 H new ATOM 0 HG SER A 24 -7.580 -20.919 0.887 1.00 0.00 H new ATOM 359 N GLY A 25 -10.178 -17.688 2.831 1.00 0.00 N ATOM 360 CA GLY A 25 -10.577 -16.746 3.914 1.00 0.00 C ATOM 361 C GLY A 25 -9.440 -16.621 4.929 1.00 0.00 C ATOM 362 O GLY A 25 -9.223 -15.574 5.507 1.00 0.00 O ATOM 0 H GLY A 25 -10.201 -18.676 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.810 -15.769 3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.481 -17.104 4.407 1.00 0.00 H new ATOM 366 N GLU A 26 -8.714 -17.681 5.153 1.00 0.00 N ATOM 367 CA GLU A 26 -7.592 -17.623 6.133 1.00 0.00 C ATOM 368 C GLU A 26 -6.490 -18.597 5.706 1.00 0.00 C ATOM 369 O GLU A 26 -6.486 -19.742 6.111 1.00 0.00 O ATOM 370 CB GLU A 26 -8.108 -18.010 7.519 1.00 0.00 C ATOM 371 CG GLU A 26 -8.861 -16.826 8.131 1.00 0.00 C ATOM 372 CD GLU A 26 -10.361 -16.987 7.875 1.00 0.00 C ATOM 373 OE1 GLU A 26 -10.769 -18.087 7.539 1.00 0.00 O ATOM 374 OE2 GLU A 26 -11.074 -16.009 8.019 1.00 0.00 O ATOM 0 H GLU A 26 -8.849 -18.585 4.700 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.188 -16.611 6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.767 -18.875 7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.276 -18.297 8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.668 -16.773 9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.505 -15.892 7.697 1.00 0.00 H new ATOM 381 N PRO A 27 -5.587 -18.108 4.893 1.00 0.00 N ATOM 382 CA PRO A 27 -4.461 -18.908 4.383 1.00 0.00 C ATOM 383 C PRO A 27 -3.372 -19.045 5.452 1.00 0.00 C ATOM 384 O PRO A 27 -2.771 -18.074 5.867 1.00 0.00 O ATOM 385 CB PRO A 27 -3.953 -18.094 3.190 1.00 0.00 C ATOM 386 CG PRO A 27 -4.425 -16.640 3.424 1.00 0.00 C ATOM 387 CD PRO A 27 -5.606 -16.712 4.411 1.00 0.00 C ATOM 0 HA PRO A 27 -4.747 -19.924 4.110 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.866 -18.144 3.120 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.351 -18.486 2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.617 -16.031 3.831 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.732 -16.177 2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.484 -16.005 5.232 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.550 -16.472 3.922 1.00 0.00 H new ATOM 395 N ASN A 28 -3.114 -20.243 5.898 1.00 0.00 N ATOM 396 CA ASN A 28 -2.064 -20.440 6.936 1.00 0.00 C ATOM 397 C ASN A 28 -0.810 -21.024 6.285 1.00 0.00 C ATOM 398 O ASN A 28 0.143 -20.322 6.008 1.00 0.00 O ATOM 399 CB ASN A 28 -2.578 -21.405 8.005 1.00 0.00 C ATOM 400 CG ASN A 28 -2.988 -20.616 9.249 1.00 0.00 C ATOM 401 OD1 ASN A 28 -2.450 -20.823 10.319 1.00 0.00 O ATOM 402 ND2 ASN A 28 -3.926 -19.714 9.154 1.00 0.00 N ATOM 0 H ASN A 28 -3.585 -21.094 5.589 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.824 -19.482 7.397 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.429 -21.969 7.622 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.804 -22.129 8.259 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.208 -19.183 9.978 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.377 -19.540 8.256 1.00 0.00 H new ATOM 409 N ARG A 29 -0.803 -22.303 6.040 1.00 0.00 N ATOM 410 CA ARG A 29 0.388 -22.937 5.408 1.00 0.00 C ATOM 411 C ARG A 29 0.369 -22.674 3.900 1.00 0.00 C ATOM 412 O ARG A 29 -0.677 -22.528 3.299 1.00 0.00 O ATOM 413 CB ARG A 29 0.358 -24.446 5.662 1.00 0.00 C ATOM 414 CG ARG A 29 1.606 -24.858 6.444 1.00 0.00 C ATOM 415 CD ARG A 29 1.209 -25.804 7.579 1.00 0.00 C ATOM 416 NE ARG A 29 1.521 -27.208 7.190 1.00 0.00 N ATOM 417 CZ ARG A 29 2.553 -27.817 7.710 1.00 0.00 C ATOM 418 NH1 ARG A 29 3.761 -27.435 7.399 1.00 0.00 N ATOM 419 NH2 ARG A 29 2.376 -28.807 8.542 1.00 0.00 N ATOM 0 H ARG A 29 -1.572 -22.939 6.250 1.00 0.00 H new ATOM 0 HA ARG A 29 1.295 -22.513 5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.539 -24.713 6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.316 -24.984 4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.318 -25.348 5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.102 -23.976 6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.746 -25.540 8.490 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.145 -25.703 7.795 1.00 0.00 H new ATOM 0 HE ARG A 29 0.928 -27.694 6.517 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.900 -26.661 6.750 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.567 -27.911 7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.432 -29.105 8.786 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.182 -29.282 8.948 1.00 0.00 H new ATOM 433 N ASN A 30 1.517 -22.613 3.285 1.00 0.00 N ATOM 434 CA ASN A 30 1.565 -22.360 1.817 1.00 0.00 C ATOM 435 C ASN A 30 0.922 -21.005 1.511 1.00 0.00 C ATOM 436 O ASN A 30 0.615 -20.238 2.401 1.00 0.00 O ATOM 437 CB ASN A 30 0.799 -23.464 1.083 1.00 0.00 C ATOM 438 CG ASN A 30 1.725 -24.661 0.852 1.00 0.00 C ATOM 439 OD1 ASN A 30 1.440 -25.756 1.293 1.00 0.00 O ATOM 440 ND2 ASN A 30 2.827 -24.498 0.173 1.00 0.00 N ATOM 0 H ASN A 30 2.425 -22.727 3.735 1.00 0.00 H new ATOM 0 HA ASN A 30 2.603 -22.354 1.484 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.069 -23.770 1.667 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.426 -23.090 0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.449 -25.290 0.013 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.066 -23.578 -0.197 1.00 0.00 H new ATOM 447 N LYS A 31 0.716 -20.706 0.258 1.00 0.00 N ATOM 448 CA LYS A 31 0.092 -19.402 -0.105 1.00 0.00 C ATOM 449 C LYS A 31 1.027 -18.260 0.301 1.00 0.00 C ATOM 450 O LYS A 31 1.861 -18.408 1.172 1.00 0.00 O ATOM 451 CB LYS A 31 -1.243 -19.253 0.627 1.00 0.00 C ATOM 452 CG LYS A 31 -2.387 -19.260 -0.388 1.00 0.00 C ATOM 453 CD LYS A 31 -3.235 -20.519 -0.193 1.00 0.00 C ATOM 454 CE LYS A 31 -2.547 -21.706 -0.870 1.00 0.00 C ATOM 455 NZ LYS A 31 -3.416 -22.228 -1.963 1.00 0.00 N ATOM 0 H LYS A 31 0.953 -21.308 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.079 -19.368 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.371 -20.067 1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.255 -18.324 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.004 -18.370 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.988 -19.231 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.368 -20.720 0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.228 -20.371 -0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.582 -21.399 -1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.352 -22.491 -0.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.948 -23.035 -2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.326 -22.536 -1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.581 -21.478 -2.664 1.00 0.00 H new ATOM 469 N VAL A 32 0.894 -17.122 -0.323 1.00 0.00 N ATOM 470 CA VAL A 32 1.775 -15.973 0.030 1.00 0.00 C ATOM 471 C VAL A 32 1.398 -14.759 -0.822 1.00 0.00 C ATOM 472 O VAL A 32 0.907 -14.891 -1.926 1.00 0.00 O ATOM 473 CB VAL A 32 3.234 -16.349 -0.236 1.00 0.00 C ATOM 474 CG1 VAL A 32 3.487 -16.383 -1.744 1.00 0.00 C ATOM 475 CG2 VAL A 32 4.155 -15.311 0.410 1.00 0.00 C ATOM 0 H VAL A 32 0.214 -16.938 -1.061 1.00 0.00 H new ATOM 0 HA VAL A 32 1.648 -15.729 1.085 1.00 0.00 H new ATOM 0 HB VAL A 32 3.437 -17.332 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.527 -16.651 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.832 -17.122 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.283 -15.400 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.194 -15.579 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.950 -14.328 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.977 -15.286 1.485 1.00 0.00 H new ATOM 485 N ALA A 33 1.623 -13.578 -0.319 1.00 0.00 N ATOM 486 CA ALA A 33 1.278 -12.357 -1.099 1.00 0.00 C ATOM 487 C ALA A 33 2.452 -11.376 -1.056 1.00 0.00 C ATOM 488 O ALA A 33 2.691 -10.724 -0.060 1.00 0.00 O ATOM 489 CB ALA A 33 0.042 -11.696 -0.489 1.00 0.00 C ATOM 0 H ALA A 33 2.031 -13.405 0.600 1.00 0.00 H new ATOM 0 HA ALA A 33 1.071 -12.633 -2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.211 -10.802 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.795 -12.394 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.250 -11.420 0.545 1.00 0.00 H new ATOM 495 N THR A 34 3.186 -11.263 -2.130 1.00 0.00 N ATOM 496 CA THR A 34 4.339 -10.319 -2.143 1.00 0.00 C ATOM 497 C THR A 34 4.003 -9.121 -3.031 1.00 0.00 C ATOM 498 O THR A 34 3.228 -9.224 -3.962 1.00 0.00 O ATOM 499 CB THR A 34 5.584 -11.025 -2.686 1.00 0.00 C ATOM 500 OG1 THR A 34 5.188 -12.129 -3.489 1.00 0.00 O ATOM 501 CG2 THR A 34 6.442 -11.521 -1.522 1.00 0.00 C ATOM 0 H THR A 34 3.038 -11.782 -2.996 1.00 0.00 H new ATOM 0 HA THR A 34 4.537 -9.978 -1.127 1.00 0.00 H new ATOM 0 HB THR A 34 6.164 -10.326 -3.288 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.984 -12.581 -3.839 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.328 -12.023 -1.911 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.746 -10.674 -0.907 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.865 -12.220 -0.917 1.00 0.00 H new ATOM 509 N ILE A 35 4.577 -7.984 -2.752 1.00 0.00 N ATOM 510 CA ILE A 35 4.287 -6.782 -3.580 1.00 0.00 C ATOM 511 C ILE A 35 5.601 -6.140 -4.029 1.00 0.00 C ATOM 512 O ILE A 35 6.451 -5.812 -3.223 1.00 0.00 O ATOM 513 CB ILE A 35 3.479 -5.777 -2.750 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.026 -6.247 -2.658 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.525 -4.397 -3.410 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.393 -6.234 -4.050 1.00 0.00 C ATOM 0 H ILE A 35 5.234 -7.836 -1.986 1.00 0.00 H new ATOM 0 HA ILE A 35 3.711 -7.074 -4.458 1.00 0.00 H new ATOM 0 HB ILE A 35 3.909 -5.710 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.984 -7.252 -2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.465 -5.597 -1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.949 -3.689 -2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.559 -4.059 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.100 -4.458 -4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.358 -6.569 -3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.421 -5.222 -4.453 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.948 -6.902 -4.708 1.00 0.00 H new ATOM 528 N LYS A 36 5.771 -5.947 -5.307 1.00 0.00 N ATOM 529 CA LYS A 36 7.024 -5.315 -5.798 1.00 0.00 C ATOM 530 C LYS A 36 7.025 -3.843 -5.384 1.00 0.00 C ATOM 531 O LYS A 36 6.005 -3.184 -5.405 1.00 0.00 O ATOM 532 CB LYS A 36 7.094 -5.423 -7.323 1.00 0.00 C ATOM 533 CG LYS A 36 6.935 -6.886 -7.740 1.00 0.00 C ATOM 534 CD LYS A 36 8.272 -7.613 -7.582 1.00 0.00 C ATOM 535 CE LYS A 36 8.783 -8.046 -8.958 1.00 0.00 C ATOM 536 NZ LYS A 36 9.734 -7.026 -9.480 1.00 0.00 N ATOM 0 H LYS A 36 5.097 -6.199 -6.030 1.00 0.00 H new ATOM 0 HA LYS A 36 7.888 -5.822 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.310 -4.817 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.046 -5.033 -7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.173 -7.368 -7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.597 -6.945 -8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.999 -6.959 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.151 -8.483 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.277 -9.015 -8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.947 -8.165 -9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.081 -7.321 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.249 -6.110 -9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.537 -6.934 -8.826 1.00 0.00 H new ATOM 550 N ARG A 37 8.158 -3.320 -5.009 1.00 0.00 N ATOM 551 CA ARG A 37 8.217 -1.895 -4.595 1.00 0.00 C ATOM 552 C ARG A 37 7.976 -1.026 -5.821 1.00 0.00 C ATOM 553 O ARG A 37 7.536 0.104 -5.727 1.00 0.00 O ATOM 554 CB ARG A 37 9.601 -1.599 -4.025 1.00 0.00 C ATOM 555 CG ARG A 37 9.469 -0.712 -2.785 1.00 0.00 C ATOM 556 CD ARG A 37 8.753 -1.486 -1.676 1.00 0.00 C ATOM 557 NE ARG A 37 8.155 -0.526 -0.707 1.00 0.00 N ATOM 558 CZ ARG A 37 8.866 -0.081 0.294 1.00 0.00 C ATOM 559 NH1 ARG A 37 10.168 -0.154 0.256 1.00 0.00 N ATOM 560 NH2 ARG A 37 8.272 0.436 1.335 1.00 0.00 N ATOM 0 H ARG A 37 9.046 -3.820 -4.972 1.00 0.00 H new ATOM 0 HA ARG A 37 7.461 -1.688 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.105 -2.530 -3.766 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.215 -1.102 -4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.455 -0.396 -2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.912 0.192 -3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.976 -2.119 -2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.456 -2.144 -1.165 1.00 0.00 H new ATOM 0 HE ARG A 37 7.190 -0.216 -0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.633 -0.559 -0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.721 0.194 1.039 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.254 0.492 1.366 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.826 0.784 2.118 1.00 0.00 H new ATOM 574 N ASP A 38 8.268 -1.550 -6.975 1.00 0.00 N ATOM 575 CA ASP A 38 8.068 -0.770 -8.223 1.00 0.00 C ATOM 576 C ASP A 38 6.577 -0.481 -8.416 1.00 0.00 C ATOM 577 O ASP A 38 6.194 0.351 -9.216 1.00 0.00 O ATOM 578 CB ASP A 38 8.587 -1.575 -9.417 1.00 0.00 C ATOM 579 CG ASP A 38 10.054 -1.223 -9.671 1.00 0.00 C ATOM 580 OD1 ASP A 38 10.301 -0.172 -10.238 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.904 -2.012 -9.294 1.00 0.00 O ATOM 0 H ASP A 38 8.639 -2.491 -7.108 1.00 0.00 H new ATOM 0 HA ASP A 38 8.614 0.171 -8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.487 -2.642 -9.221 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.991 -1.357 -10.303 1.00 0.00 H new ATOM 586 N LYS A 39 5.731 -1.163 -7.693 1.00 0.00 N ATOM 587 CA LYS A 39 4.266 -0.930 -7.840 1.00 0.00 C ATOM 588 C LYS A 39 3.716 -0.282 -6.569 1.00 0.00 C ATOM 589 O LYS A 39 3.030 0.724 -6.618 1.00 0.00 O ATOM 590 CB LYS A 39 3.561 -2.268 -8.069 1.00 0.00 C ATOM 591 CG LYS A 39 2.536 -2.117 -9.195 1.00 0.00 C ATOM 592 CD LYS A 39 3.264 -2.029 -10.538 1.00 0.00 C ATOM 593 CE LYS A 39 2.564 -2.929 -11.557 1.00 0.00 C ATOM 594 NZ LYS A 39 3.496 -4.007 -11.993 1.00 0.00 N ATOM 0 H LYS A 39 5.991 -1.872 -7.007 1.00 0.00 H new ATOM 0 HA LYS A 39 4.090 -0.269 -8.689 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.290 -3.036 -8.327 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.066 -2.592 -7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.852 -2.966 -9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.934 -1.222 -9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.272 -0.998 -10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.304 -2.334 -10.421 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.667 -3.365 -11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.243 -2.341 -12.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.019 -4.619 -12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.339 -3.582 -12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.781 -4.574 -11.169 1.00 0.00 H new ATOM 608 N VAL A 40 4.004 -0.849 -5.430 1.00 0.00 N ATOM 609 CA VAL A 40 3.487 -0.261 -4.166 1.00 0.00 C ATOM 610 C VAL A 40 3.887 1.217 -4.123 1.00 0.00 C ATOM 611 O VAL A 40 3.125 2.065 -3.711 1.00 0.00 O ATOM 612 CB VAL A 40 4.069 -1.030 -2.962 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.213 -0.249 -2.296 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.957 -1.281 -1.942 1.00 0.00 C ATOM 0 H VAL A 40 4.572 -1.689 -5.321 1.00 0.00 H new ATOM 0 HA VAL A 40 2.401 -0.339 -4.120 1.00 0.00 H new ATOM 0 HB VAL A 40 4.473 -1.976 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.600 -0.820 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.011 -0.085 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.840 0.713 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.362 -1.824 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.550 -0.327 -1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.165 -1.870 -2.405 1.00 0.00 H new ATOM 624 N ARG A 41 5.081 1.525 -4.552 1.00 0.00 N ATOM 625 CA ARG A 41 5.537 2.943 -4.546 1.00 0.00 C ATOM 626 C ARG A 41 4.623 3.768 -5.452 1.00 0.00 C ATOM 627 O ARG A 41 4.319 4.909 -5.171 1.00 0.00 O ATOM 628 CB ARG A 41 6.979 3.018 -5.062 1.00 0.00 C ATOM 629 CG ARG A 41 7.329 4.467 -5.410 1.00 0.00 C ATOM 630 CD ARG A 41 8.846 4.658 -5.345 1.00 0.00 C ATOM 631 NE ARG A 41 9.341 5.146 -6.663 1.00 0.00 N ATOM 632 CZ ARG A 41 10.304 4.512 -7.275 1.00 0.00 C ATOM 633 NH1 ARG A 41 11.388 4.186 -6.624 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.185 4.205 -8.538 1.00 0.00 N ATOM 0 H ARG A 41 5.761 0.853 -4.907 1.00 0.00 H new ATOM 0 HA ARG A 41 5.497 3.338 -3.531 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.666 2.640 -4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.094 2.385 -5.942 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.964 4.710 -6.408 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.836 5.148 -4.716 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.100 5.372 -4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.331 3.716 -5.088 1.00 0.00 H new ATOM 0 HE ARG A 41 8.927 5.976 -7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.482 4.427 -5.637 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.141 3.691 -7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.339 4.461 -9.047 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.938 3.710 -9.016 1.00 0.00 H new ATOM 648 N GLU A 42 4.181 3.197 -6.539 1.00 0.00 N ATOM 649 CA GLU A 42 3.284 3.948 -7.459 1.00 0.00 C ATOM 650 C GLU A 42 2.054 4.418 -6.685 1.00 0.00 C ATOM 651 O GLU A 42 1.700 5.580 -6.705 1.00 0.00 O ATOM 652 CB GLU A 42 2.847 3.034 -8.606 1.00 0.00 C ATOM 653 CG GLU A 42 2.135 3.862 -9.676 1.00 0.00 C ATOM 654 CD GLU A 42 3.174 4.538 -10.573 1.00 0.00 C ATOM 655 OE1 GLU A 42 3.979 3.827 -11.153 1.00 0.00 O ATOM 656 OE2 GLU A 42 3.147 5.754 -10.665 1.00 0.00 O ATOM 0 H GLU A 42 4.402 2.244 -6.829 1.00 0.00 H new ATOM 0 HA GLU A 42 3.813 4.809 -7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.714 2.533 -9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.182 2.256 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.485 3.223 -10.273 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.500 4.613 -9.207 1.00 0.00 H new ATOM 663 N ILE A 43 1.400 3.522 -5.999 1.00 0.00 N ATOM 664 CA ILE A 43 0.193 3.917 -5.220 1.00 0.00 C ATOM 665 C ILE A 43 0.583 4.953 -4.163 1.00 0.00 C ATOM 666 O ILE A 43 -0.033 5.993 -4.040 1.00 0.00 O ATOM 667 CB ILE A 43 -0.391 2.684 -4.531 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.713 1.618 -5.581 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.674 3.069 -3.793 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.189 0.262 -5.109 1.00 0.00 C ATOM 0 H ILE A 43 1.649 2.534 -5.944 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.550 4.346 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 43 0.335 2.290 -3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.789 1.567 -5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.258 1.883 -6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.089 2.189 -3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.449 3.829 -3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.399 3.463 -4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.418 -0.497 -5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.890 0.318 -4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.665 -0.003 -4.165 1.00 0.00 H new ATOM 682 N ALA A 44 1.604 4.676 -3.399 1.00 0.00 N ATOM 683 CA ALA A 44 2.037 5.641 -2.351 1.00 0.00 C ATOM 684 C ALA A 44 2.502 6.939 -3.013 1.00 0.00 C ATOM 685 O ALA A 44 2.638 7.961 -2.370 1.00 0.00 O ATOM 686 CB ALA A 44 3.192 5.033 -1.551 1.00 0.00 C ATOM 0 H ALA A 44 2.158 3.821 -3.456 1.00 0.00 H new ATOM 0 HA ALA A 44 1.202 5.855 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.512 5.736 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.861 4.107 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.026 4.822 -2.220 1.00 0.00 H new ATOM 692 N GLU A 45 2.742 6.908 -4.295 1.00 0.00 N ATOM 693 CA GLU A 45 3.193 8.141 -4.998 1.00 0.00 C ATOM 694 C GLU A 45 1.980 9.028 -5.282 1.00 0.00 C ATOM 695 O GLU A 45 2.037 10.236 -5.160 1.00 0.00 O ATOM 696 CB GLU A 45 3.870 7.761 -6.317 1.00 0.00 C ATOM 697 CG GLU A 45 4.672 8.954 -6.843 1.00 0.00 C ATOM 698 CD GLU A 45 5.944 8.452 -7.528 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.319 7.317 -7.281 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.524 9.210 -8.289 1.00 0.00 O ATOM 0 H GLU A 45 2.645 6.082 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 45 3.904 8.681 -4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.528 6.905 -6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.120 7.462 -7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.070 9.529 -7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.928 9.624 -6.022 1.00 0.00 H new ATOM 707 N LEU A 46 0.881 8.434 -5.659 1.00 0.00 N ATOM 708 CA LEU A 46 -0.341 9.237 -5.951 1.00 0.00 C ATOM 709 C LEU A 46 -0.879 9.842 -4.651 1.00 0.00 C ATOM 710 O LEU A 46 -1.264 10.992 -4.605 1.00 0.00 O ATOM 711 CB LEU A 46 -1.408 8.330 -6.570 1.00 0.00 C ATOM 712 CG LEU A 46 -2.171 9.100 -7.649 1.00 0.00 C ATOM 713 CD1 LEU A 46 -1.662 8.683 -9.031 1.00 0.00 C ATOM 714 CD2 LEU A 46 -3.664 8.778 -7.542 1.00 0.00 C ATOM 0 H LEU A 46 0.776 7.426 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.092 10.038 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.941 7.445 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.097 7.984 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.015 10.170 -7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.206 9.232 -9.800 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.598 8.907 -9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.819 7.613 -9.169 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.210 9.326 -8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.816 7.708 -7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.030 9.071 -6.558 1.00 0.00 H new ATOM 726 N LYS A 47 -0.911 9.075 -3.594 1.00 0.00 N ATOM 727 CA LYS A 47 -1.428 9.609 -2.302 1.00 0.00 C ATOM 728 C LYS A 47 -0.273 10.200 -1.490 1.00 0.00 C ATOM 729 O LYS A 47 -0.384 10.413 -0.301 1.00 0.00 O ATOM 730 CB LYS A 47 -2.079 8.476 -1.507 1.00 0.00 C ATOM 731 CG LYS A 47 -3.139 7.789 -2.368 1.00 0.00 C ATOM 732 CD LYS A 47 -2.911 6.276 -2.352 1.00 0.00 C ATOM 733 CE LYS A 47 -3.136 5.740 -0.936 1.00 0.00 C ATOM 734 NZ LYS A 47 -1.832 5.322 -0.348 1.00 0.00 N ATOM 0 H LYS A 47 -0.602 8.103 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.165 10.387 -2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.323 7.754 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.534 8.870 -0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.135 8.021 -1.991 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.090 8.164 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.592 5.788 -3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.898 6.047 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.598 6.507 -0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.823 4.894 -0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.973 4.478 0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.162 5.101 -1.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.451 6.094 0.235 1.00 0.00 H new ATOM 748 N MET A 48 0.838 10.464 -2.122 1.00 0.00 N ATOM 749 CA MET A 48 1.999 11.036 -1.383 1.00 0.00 C ATOM 750 C MET A 48 1.570 12.302 -0.634 1.00 0.00 C ATOM 751 O MET A 48 1.813 12.428 0.550 1.00 0.00 O ATOM 752 CB MET A 48 3.113 11.382 -2.374 1.00 0.00 C ATOM 753 CG MET A 48 4.421 10.731 -1.919 1.00 0.00 C ATOM 754 SD MET A 48 4.885 11.381 -0.294 1.00 0.00 S ATOM 755 CE MET A 48 5.594 12.944 -0.869 1.00 0.00 C ATOM 0 H MET A 48 0.992 10.308 -3.118 1.00 0.00 H new ATOM 0 HA MET A 48 2.363 10.302 -0.664 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.848 11.032 -3.372 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.235 12.463 -2.437 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.303 9.649 -1.869 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.211 10.933 -2.642 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.967 13.510 -0.016 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.415 12.740 -1.556 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.827 13.524 -1.382 1.00 0.00 H new ATOM 765 N PRO A 49 0.946 13.207 -1.347 1.00 0.00 N ATOM 766 CA PRO A 49 0.473 14.482 -0.775 1.00 0.00 C ATOM 767 C PRO A 49 -0.857 14.296 -0.031 1.00 0.00 C ATOM 768 O PRO A 49 -1.656 15.207 0.053 1.00 0.00 O ATOM 769 CB PRO A 49 0.277 15.370 -2.006 1.00 0.00 C ATOM 770 CG PRO A 49 0.091 14.417 -3.211 1.00 0.00 C ATOM 771 CD PRO A 49 0.661 13.049 -2.789 1.00 0.00 C ATOM 0 HA PRO A 49 1.167 14.900 -0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.593 16.015 -1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.138 16.021 -2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.963 14.331 -3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.612 14.798 -4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.054 12.246 -2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.563 12.803 -3.349 1.00 0.00 H new ATOM 779 N ASP A 50 -1.105 13.134 0.511 1.00 0.00 N ATOM 780 CA ASP A 50 -2.386 12.918 1.241 1.00 0.00 C ATOM 781 C ASP A 50 -2.123 12.119 2.520 1.00 0.00 C ATOM 782 O ASP A 50 -3.036 11.625 3.152 1.00 0.00 O ATOM 783 CB ASP A 50 -3.354 12.144 0.345 1.00 0.00 C ATOM 784 CG ASP A 50 -3.526 12.887 -0.980 1.00 0.00 C ATOM 785 OD1 ASP A 50 -2.544 13.026 -1.691 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.637 13.305 -1.262 1.00 0.00 O ATOM 0 H ASP A 50 -0.479 12.329 0.480 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.821 13.882 1.503 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.974 11.139 0.164 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.318 12.036 0.841 1.00 0.00 H new ATOM 791 N LEU A 51 -0.884 11.988 2.910 1.00 0.00 N ATOM 792 CA LEU A 51 -0.574 11.219 4.152 1.00 0.00 C ATOM 793 C LEU A 51 0.415 12.013 5.008 1.00 0.00 C ATOM 794 O LEU A 51 1.139 11.458 5.812 1.00 0.00 O ATOM 795 CB LEU A 51 0.051 9.861 3.797 1.00 0.00 C ATOM 796 CG LEU A 51 -0.149 9.554 2.311 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.741 8.375 1.911 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.615 9.196 2.057 1.00 0.00 C ATOM 0 H LEU A 51 -0.075 12.378 2.426 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.500 11.055 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.115 9.870 4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.403 9.076 4.401 1.00 0.00 H new ATOM 0 HG LEU A 51 0.119 10.429 1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.600 8.155 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.785 8.629 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.473 7.500 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.758 8.977 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.883 8.320 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.249 10.035 2.343 1.00 0.00 H new ATOM 810 N ASN A 52 0.458 13.306 4.839 1.00 0.00 N ATOM 811 CA ASN A 52 1.405 14.129 5.642 1.00 0.00 C ATOM 812 C ASN A 52 2.833 13.632 5.411 1.00 0.00 C ATOM 813 O ASN A 52 3.730 13.905 6.185 1.00 0.00 O ATOM 814 CB ASN A 52 1.057 14.005 7.127 1.00 0.00 C ATOM 815 CG ASN A 52 1.057 15.393 7.771 1.00 0.00 C ATOM 816 OD1 ASN A 52 0.030 16.036 7.857 1.00 0.00 O ATOM 817 ND2 ASN A 52 2.176 15.885 8.229 1.00 0.00 N ATOM 0 H ASN A 52 -0.121 13.827 4.181 1.00 0.00 H new ATOM 0 HA ASN A 52 1.328 15.173 5.337 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.079 13.539 7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.779 13.360 7.628 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.188 16.810 8.659 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.038 15.345 8.157 1.00 0.00 H new ATOM 824 N ALA A 53 3.052 12.901 4.353 1.00 0.00 N ATOM 825 CA ALA A 53 4.422 12.385 4.075 1.00 0.00 C ATOM 826 C ALA A 53 5.281 13.505 3.485 1.00 0.00 C ATOM 827 O ALA A 53 4.828 14.286 2.672 1.00 0.00 O ATOM 828 CB ALA A 53 4.339 11.228 3.077 1.00 0.00 C ATOM 0 H ALA A 53 2.342 12.639 3.669 1.00 0.00 H new ATOM 0 HA ALA A 53 4.872 12.033 5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.341 10.850 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.728 10.429 3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.888 11.580 2.149 1.00 0.00 H new ATOM 834 N ALA A 54 6.521 13.589 3.886 1.00 0.00 N ATOM 835 CA ALA A 54 7.409 14.657 3.347 1.00 0.00 C ATOM 836 C ALA A 54 7.829 14.297 1.921 1.00 0.00 C ATOM 837 O ALA A 54 7.980 15.154 1.073 1.00 0.00 O ATOM 838 CB ALA A 54 8.655 14.778 4.229 1.00 0.00 C ATOM 0 H ALA A 54 6.957 12.964 4.564 1.00 0.00 H new ATOM 0 HA ALA A 54 6.874 15.607 3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.305 15.559 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.357 15.032 5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.191 13.829 4.234 1.00 0.00 H new ATOM 844 N SER A 55 8.018 13.035 1.652 1.00 0.00 N ATOM 845 CA SER A 55 8.428 12.619 0.282 1.00 0.00 C ATOM 846 C SER A 55 8.029 11.161 0.050 1.00 0.00 C ATOM 847 O SER A 55 7.323 10.565 0.840 1.00 0.00 O ATOM 848 CB SER A 55 9.943 12.760 0.141 1.00 0.00 C ATOM 849 OG SER A 55 10.579 12.128 1.245 1.00 0.00 O ATOM 0 H SER A 55 7.906 12.274 2.322 1.00 0.00 H new ATOM 0 HA SER A 55 7.932 13.252 -0.454 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.276 12.308 -0.793 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.220 13.814 0.102 1.00 0.00 H new ATOM 0 HG SER A 55 11.551 12.215 1.156 1.00 0.00 H new ATOM 855 N ILE A 56 8.480 10.580 -1.027 1.00 0.00 N ATOM 856 CA ILE A 56 8.131 9.159 -1.308 1.00 0.00 C ATOM 857 C ILE A 56 8.711 8.268 -0.214 1.00 0.00 C ATOM 858 O ILE A 56 8.080 7.342 0.243 1.00 0.00 O ATOM 859 CB ILE A 56 8.721 8.741 -2.653 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.305 9.741 -3.737 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.211 7.346 -3.023 1.00 0.00 C ATOM 862 CD1 ILE A 56 6.825 9.553 -4.068 1.00 0.00 C ATOM 0 H ILE A 56 9.075 11.027 -1.724 1.00 0.00 H new ATOM 0 HA ILE A 56 7.046 9.055 -1.335 1.00 0.00 H new ATOM 0 HB ILE A 56 9.808 8.725 -2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.485 10.760 -3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.910 9.595 -4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.632 7.047 -3.983 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.514 6.633 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.123 7.363 -3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.531 10.265 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.659 8.538 -4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.228 9.721 -3.172 1.00 0.00 H new ATOM 874 N GLU A 57 9.914 8.535 0.210 1.00 0.00 N ATOM 875 CA GLU A 57 10.528 7.695 1.274 1.00 0.00 C ATOM 876 C GLU A 57 9.601 7.659 2.490 1.00 0.00 C ATOM 877 O GLU A 57 9.629 6.734 3.278 1.00 0.00 O ATOM 878 CB GLU A 57 11.882 8.284 1.672 1.00 0.00 C ATOM 879 CG GLU A 57 12.889 8.048 0.544 1.00 0.00 C ATOM 880 CD GLU A 57 14.207 8.751 0.875 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.235 9.969 0.826 1.00 0.00 O ATOM 882 OE2 GLU A 57 15.167 8.058 1.169 1.00 0.00 O ATOM 0 H GLU A 57 10.498 9.298 -0.134 1.00 0.00 H new ATOM 0 HA GLU A 57 10.674 6.681 0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.783 9.351 1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.236 7.821 2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.059 6.979 0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.490 8.426 -0.398 1.00 0.00 H new ATOM 889 N ALA A 58 8.779 8.661 2.653 1.00 0.00 N ATOM 890 CA ALA A 58 7.852 8.683 3.818 1.00 0.00 C ATOM 891 C ALA A 58 6.518 8.032 3.439 1.00 0.00 C ATOM 892 O ALA A 58 5.792 7.554 4.287 1.00 0.00 O ATOM 893 CB ALA A 58 7.609 10.131 4.251 1.00 0.00 C ATOM 0 H ALA A 58 8.710 9.465 2.029 1.00 0.00 H new ATOM 0 HA ALA A 58 8.300 8.126 4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.930 10.147 5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.556 10.590 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.167 10.688 3.425 1.00 0.00 H new ATOM 899 N ALA A 59 6.181 8.013 2.176 1.00 0.00 N ATOM 900 CA ALA A 59 4.884 7.395 1.770 1.00 0.00 C ATOM 901 C ALA A 59 5.008 5.867 1.790 1.00 0.00 C ATOM 902 O ALA A 59 4.135 5.170 2.267 1.00 0.00 O ATOM 903 CB ALA A 59 4.515 7.860 0.360 1.00 0.00 C ATOM 0 H ALA A 59 6.742 8.395 1.414 1.00 0.00 H new ATOM 0 HA ALA A 59 4.106 7.701 2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.568 7.408 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.419 8.946 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.295 7.558 -0.339 1.00 0.00 H new ATOM 909 N MET A 60 6.086 5.345 1.275 1.00 0.00 N ATOM 910 CA MET A 60 6.271 3.868 1.261 1.00 0.00 C ATOM 911 C MET A 60 6.340 3.345 2.697 1.00 0.00 C ATOM 912 O MET A 60 6.147 2.174 2.948 1.00 0.00 O ATOM 913 CB MET A 60 7.572 3.527 0.535 1.00 0.00 C ATOM 914 CG MET A 60 7.250 2.913 -0.829 1.00 0.00 C ATOM 915 SD MET A 60 8.064 3.873 -2.130 1.00 0.00 S ATOM 916 CE MET A 60 9.615 2.942 -2.159 1.00 0.00 C ATOM 0 H MET A 60 6.850 5.880 0.862 1.00 0.00 H new ATOM 0 HA MET A 60 5.430 3.403 0.746 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.176 4.425 0.408 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.161 2.829 1.130 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.587 1.877 -0.862 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.172 2.903 -0.990 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.455 3.632 -2.080 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.637 2.246 -1.321 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.689 2.387 -3.094 1.00 0.00 H new ATOM 926 N ARG A 61 6.612 4.202 3.644 1.00 0.00 N ATOM 927 CA ARG A 61 6.686 3.741 5.058 1.00 0.00 C ATOM 928 C ARG A 61 5.282 3.361 5.529 1.00 0.00 C ATOM 929 O ARG A 61 5.102 2.450 6.313 1.00 0.00 O ATOM 930 CB ARG A 61 7.242 4.861 5.938 1.00 0.00 C ATOM 931 CG ARG A 61 8.769 4.778 5.967 1.00 0.00 C ATOM 932 CD ARG A 61 9.344 6.104 6.465 1.00 0.00 C ATOM 933 NE ARG A 61 10.811 5.958 6.690 1.00 0.00 N ATOM 934 CZ ARG A 61 11.640 6.816 6.161 1.00 0.00 C ATOM 935 NH1 ARG A 61 11.947 6.730 4.895 1.00 0.00 N ATOM 936 NH2 ARG A 61 12.162 7.758 6.896 1.00 0.00 N ATOM 0 H ARG A 61 6.785 5.197 3.500 1.00 0.00 H new ATOM 0 HA ARG A 61 7.345 2.876 5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.927 5.831 5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.843 4.775 6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.087 3.964 6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.150 4.556 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.154 6.892 5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.851 6.401 7.391 1.00 0.00 H new ATOM 0 HE ARG A 61 11.166 5.188 7.257 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.539 5.993 4.320 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.595 7.400 4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.923 7.825 7.885 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.810 8.428 6.482 1.00 0.00 H new ATOM 950 N MET A 62 4.287 4.050 5.047 1.00 0.00 N ATOM 951 CA MET A 62 2.890 3.728 5.451 1.00 0.00 C ATOM 952 C MET A 62 2.366 2.597 4.564 1.00 0.00 C ATOM 953 O MET A 62 1.490 1.846 4.945 1.00 0.00 O ATOM 954 CB MET A 62 2.009 4.968 5.275 1.00 0.00 C ATOM 955 CG MET A 62 2.325 5.978 6.379 1.00 0.00 C ATOM 956 SD MET A 62 1.448 7.526 6.047 1.00 0.00 S ATOM 957 CE MET A 62 2.730 8.303 5.033 1.00 0.00 C ATOM 0 H MET A 62 4.380 4.824 4.389 1.00 0.00 H new ATOM 0 HA MET A 62 2.868 3.418 6.496 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.184 5.416 4.297 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.956 4.688 5.314 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.027 5.579 7.348 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.399 6.158 6.425 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.646 9.387 5.108 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.713 7.990 5.386 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.605 8.001 3.993 1.00 0.00 H new ATOM 967 N ILE A 63 2.908 2.466 3.383 1.00 0.00 N ATOM 968 CA ILE A 63 2.461 1.383 2.462 1.00 0.00 C ATOM 969 C ILE A 63 3.081 0.058 2.915 1.00 0.00 C ATOM 970 O ILE A 63 2.533 -0.998 2.689 1.00 0.00 O ATOM 971 CB ILE A 63 2.904 1.730 1.029 1.00 0.00 C ATOM 972 CG1 ILE A 63 1.796 2.529 0.338 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.175 0.456 0.223 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.745 3.944 0.917 1.00 0.00 C ATOM 0 H ILE A 63 3.646 3.067 3.015 1.00 0.00 H new ATOM 0 HA ILE A 63 1.375 1.288 2.481 1.00 0.00 H new ATOM 0 HB ILE A 63 3.821 2.318 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.980 2.571 -0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.835 2.033 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.487 0.724 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.965 -0.119 0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.266 -0.144 0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.956 4.511 0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.540 3.892 1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.703 4.438 0.754 1.00 0.00 H new ATOM 986 N GLU A 64 4.215 0.106 3.551 1.00 0.00 N ATOM 987 CA GLU A 64 4.856 -1.156 4.013 1.00 0.00 C ATOM 988 C GLU A 64 4.243 -1.573 5.351 1.00 0.00 C ATOM 989 O GLU A 64 4.159 -2.743 5.668 1.00 0.00 O ATOM 990 CB GLU A 64 6.360 -0.931 4.183 1.00 0.00 C ATOM 991 CG GLU A 64 7.019 -2.231 4.649 1.00 0.00 C ATOM 992 CD GLU A 64 8.521 -2.004 4.832 1.00 0.00 C ATOM 993 OE1 GLU A 64 9.135 -1.477 3.919 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.031 -2.363 5.879 1.00 0.00 O ATOM 0 H GLU A 64 4.726 0.961 3.771 1.00 0.00 H new ATOM 0 HA GLU A 64 4.691 -1.943 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.799 -0.606 3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.541 -0.138 4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.573 -2.561 5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.846 -3.021 3.918 1.00 0.00 H new ATOM 1001 N GLY A 65 3.808 -0.625 6.136 1.00 0.00 N ATOM 1002 CA GLY A 65 3.194 -0.967 7.452 1.00 0.00 C ATOM 1003 C GLY A 65 1.741 -1.389 7.235 1.00 0.00 C ATOM 1004 O GLY A 65 1.228 -2.259 7.911 1.00 0.00 O ATOM 0 H GLY A 65 3.851 0.372 5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.752 -1.773 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.240 -0.108 8.122 1.00 0.00 H new ATOM 1008 N THR A 66 1.076 -0.780 6.293 1.00 0.00 N ATOM 1009 CA THR A 66 -0.342 -1.145 6.025 1.00 0.00 C ATOM 1010 C THR A 66 -0.377 -2.330 5.060 1.00 0.00 C ATOM 1011 O THR A 66 -1.282 -3.140 5.084 1.00 0.00 O ATOM 1012 CB THR A 66 -1.064 0.050 5.396 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.652 1.242 6.050 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.576 -0.124 5.553 1.00 0.00 C ATOM 0 H THR A 66 1.454 -0.044 5.697 1.00 0.00 H new ATOM 0 HA THR A 66 -0.838 -1.416 6.957 1.00 0.00 H new ATOM 0 HB THR A 66 -0.817 0.110 4.336 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.081 1.765 5.449 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.089 0.727 5.105 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.890 -1.041 5.054 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.827 -0.183 6.612 1.00 0.00 H new ATOM 1022 N ALA A 67 0.608 -2.438 4.213 1.00 0.00 N ATOM 1023 CA ALA A 67 0.642 -3.570 3.247 1.00 0.00 C ATOM 1024 C ALA A 67 1.390 -4.749 3.876 1.00 0.00 C ATOM 1025 O ALA A 67 1.908 -5.606 3.187 1.00 0.00 O ATOM 1026 CB ALA A 67 1.359 -3.128 1.968 1.00 0.00 C ATOM 0 H ALA A 67 1.393 -1.789 4.148 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.376 -3.874 3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.384 -3.957 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.826 -2.287 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.378 -2.825 2.208 1.00 0.00 H new ATOM 1032 N ARG A 68 1.456 -4.799 5.180 1.00 0.00 N ATOM 1033 CA ARG A 68 2.174 -5.925 5.846 1.00 0.00 C ATOM 1034 C ARG A 68 1.314 -6.511 6.972 1.00 0.00 C ATOM 1035 O ARG A 68 1.432 -7.671 7.309 1.00 0.00 O ATOM 1036 CB ARG A 68 3.501 -5.422 6.423 1.00 0.00 C ATOM 1037 CG ARG A 68 3.237 -4.556 7.657 1.00 0.00 C ATOM 1038 CD ARG A 68 3.785 -5.258 8.902 1.00 0.00 C ATOM 1039 NE ARG A 68 2.748 -5.262 9.972 1.00 0.00 N ATOM 1040 CZ ARG A 68 3.007 -4.723 11.133 1.00 0.00 C ATOM 1041 NH1 ARG A 68 3.390 -3.478 11.202 1.00 0.00 N ATOM 1042 NH2 ARG A 68 2.884 -5.430 12.223 1.00 0.00 N ATOM 0 H ARG A 68 1.045 -4.111 5.811 1.00 0.00 H new ATOM 0 HA ARG A 68 2.369 -6.703 5.108 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.135 -6.267 6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.039 -4.845 5.671 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.711 -3.581 7.538 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.167 -4.379 7.768 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.074 -6.280 8.658 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.682 -4.749 9.253 1.00 0.00 H new ATOM 0 HE ARG A 68 1.837 -5.685 9.798 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.487 -2.926 10.350 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.592 -3.056 12.108 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.586 -6.404 12.168 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.086 -5.009 13.130 1.00 0.00 H new ATOM 1056 N SER A 69 0.453 -5.726 7.561 1.00 0.00 N ATOM 1057 CA SER A 69 -0.399 -6.256 8.664 1.00 0.00 C ATOM 1058 C SER A 69 -1.488 -7.158 8.080 1.00 0.00 C ATOM 1059 O SER A 69 -2.050 -7.991 8.764 1.00 0.00 O ATOM 1060 CB SER A 69 -1.048 -5.094 9.415 1.00 0.00 C ATOM 1061 OG SER A 69 -1.244 -4.006 8.521 1.00 0.00 O ATOM 0 H SER A 69 0.303 -4.745 7.327 1.00 0.00 H new ATOM 0 HA SER A 69 0.219 -6.832 9.353 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.002 -5.408 9.839 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.416 -4.786 10.248 1.00 0.00 H new ATOM 0 HG SER A 69 -1.662 -3.260 9.000 1.00 0.00 H new ATOM 1067 N MET A 70 -1.790 -7.002 6.820 1.00 0.00 N ATOM 1068 CA MET A 70 -2.842 -7.852 6.195 1.00 0.00 C ATOM 1069 C MET A 70 -2.238 -9.202 5.803 1.00 0.00 C ATOM 1070 O MET A 70 -2.936 -10.185 5.651 1.00 0.00 O ATOM 1071 CB MET A 70 -3.386 -7.153 4.948 1.00 0.00 C ATOM 1072 CG MET A 70 -4.427 -6.111 5.358 1.00 0.00 C ATOM 1073 SD MET A 70 -3.656 -4.475 5.416 1.00 0.00 S ATOM 1074 CE MET A 70 -3.700 -4.143 3.637 1.00 0.00 C ATOM 0 H MET A 70 -1.354 -6.323 6.197 1.00 0.00 H new ATOM 0 HA MET A 70 -3.654 -8.010 6.905 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.572 -6.674 4.403 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.834 -7.884 4.275 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.254 -6.110 4.648 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.844 -6.363 6.333 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.125 -3.243 3.421 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.269 -4.987 3.099 1.00 0.00 H new ATOM 0 HE3 MET A 70 -4.733 -3.999 3.319 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.945 -9.259 5.640 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.296 -10.546 5.258 1.00 0.00 C ATOM 1086 C GLY A 71 0.455 -10.372 3.936 1.00 0.00 C ATOM 1087 O GLY A 71 0.765 -11.330 3.258 1.00 0.00 O ATOM 0 H GLY A 71 -0.309 -8.470 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.394 -10.863 6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.048 -11.329 5.160 1.00 0.00 H new ATOM 1091 N ILE A 72 0.750 -9.156 3.566 1.00 0.00 N ATOM 1092 CA ILE A 72 1.483 -8.925 2.290 1.00 0.00 C ATOM 1093 C ILE A 72 2.902 -8.445 2.600 1.00 0.00 C ATOM 1094 O ILE A 72 3.187 -7.983 3.685 1.00 0.00 O ATOM 1095 CB ILE A 72 0.755 -7.859 1.468 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.707 -8.270 1.282 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.424 -7.721 0.100 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.619 -7.180 1.851 1.00 0.00 C ATOM 0 H ILE A 72 0.515 -8.314 4.091 1.00 0.00 H new ATOM 0 HA ILE A 72 1.527 -9.855 1.722 1.00 0.00 H new ATOM 0 HB ILE A 72 0.801 -6.904 1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.921 -8.423 0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.897 -9.218 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.904 -6.962 -0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.465 -7.428 0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.380 -8.675 -0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.661 -7.472 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.411 -7.049 2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.436 -6.242 1.327 1.00 0.00 H new ATOM 1110 N VAL A 73 3.793 -8.549 1.655 1.00 0.00 N ATOM 1111 CA VAL A 73 5.190 -8.092 1.899 1.00 0.00 C ATOM 1112 C VAL A 73 5.595 -7.123 0.782 1.00 0.00 C ATOM 1113 O VAL A 73 4.871 -6.932 -0.174 1.00 0.00 O ATOM 1114 CB VAL A 73 6.126 -9.315 1.942 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.752 -9.577 0.568 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.241 -9.066 2.960 1.00 0.00 C ATOM 0 H VAL A 73 3.616 -8.930 0.726 1.00 0.00 H new ATOM 0 HA VAL A 73 5.263 -7.574 2.855 1.00 0.00 H new ATOM 0 HB VAL A 73 5.538 -10.187 2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.408 -10.445 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.964 -9.766 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.330 -8.706 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.904 -9.930 2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.809 -8.183 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.805 -8.907 3.946 1.00 0.00 H new ATOM 1126 N VAL A 74 6.739 -6.506 0.892 1.00 0.00 N ATOM 1127 CA VAL A 74 7.165 -5.552 -0.170 1.00 0.00 C ATOM 1128 C VAL A 74 8.691 -5.628 -0.330 1.00 0.00 C ATOM 1129 O VAL A 74 9.432 -5.454 0.618 1.00 0.00 O ATOM 1130 CB VAL A 74 6.711 -4.132 0.228 1.00 0.00 C ATOM 1131 CG1 VAL A 74 7.876 -3.315 0.801 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.142 -3.418 -0.998 1.00 0.00 C ATOM 0 H VAL A 74 7.393 -6.620 1.666 1.00 0.00 H new ATOM 0 HA VAL A 74 6.709 -5.806 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 74 5.946 -4.221 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.524 -2.320 1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.270 -3.814 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.664 -3.230 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.821 -2.415 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.909 -3.352 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.289 -3.978 -1.382 1.00 0.00 H new ATOM 1142 N GLU A 75 9.166 -5.892 -1.517 1.00 0.00 N ATOM 1143 CA GLU A 75 10.642 -5.983 -1.720 1.00 0.00 C ATOM 1144 C GLU A 75 11.123 -4.807 -2.572 1.00 0.00 C ATOM 1145 O GLU A 75 10.606 -4.549 -3.641 1.00 0.00 O ATOM 1146 CB GLU A 75 10.981 -7.297 -2.427 1.00 0.00 C ATOM 1147 CG GLU A 75 10.090 -8.413 -1.883 1.00 0.00 C ATOM 1148 CD GLU A 75 10.379 -9.710 -2.638 1.00 0.00 C ATOM 1149 OE1 GLU A 75 10.039 -9.781 -3.808 1.00 0.00 O ATOM 1150 OE2 GLU A 75 10.936 -10.613 -2.036 1.00 0.00 O ATOM 0 H GLU A 75 8.600 -6.048 -2.351 1.00 0.00 H new ATOM 0 HA GLU A 75 11.139 -5.951 -0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.835 -7.192 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.031 -7.546 -2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.273 -8.552 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.040 -8.141 -1.994 1.00 0.00 H new ATOM 1157 N ASP A 76 12.114 -4.094 -2.107 1.00 0.00 N ATOM 1158 CA ASP A 76 12.635 -2.934 -2.885 1.00 0.00 C ATOM 1159 C ASP A 76 12.885 -3.362 -4.333 1.00 0.00 C ATOM 1160 O ASP A 76 12.627 -2.564 -5.218 1.00 0.00 O ATOM 1161 CB ASP A 76 13.947 -2.451 -2.262 1.00 0.00 C ATOM 1162 CG ASP A 76 14.313 -1.081 -2.836 1.00 0.00 C ATOM 1163 OD1 ASP A 76 13.518 -0.167 -2.688 1.00 0.00 O ATOM 1164 OD2 ASP A 76 15.383 -0.968 -3.411 1.00 0.00 O ATOM 1165 OXT ASP A 76 13.334 -4.479 -4.531 1.00 0.00 O ATOM 0 H ASP A 76 12.586 -4.266 -1.219 1.00 0.00 H new ATOM 0 HA ASP A 76 11.904 -2.126 -2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.845 -2.387 -1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.743 -3.167 -2.466 1.00 0.00 H new TER 1170 ASP A 76